| 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 | 47.9 | Very low | 74.8 | Confident | 152 Ų | 152 | 77.7 Ų | 77.7 | 75% | 0.749 | 45% | 0.453 | S | S | * | . | 0 | -90.3 | 0 | -71.8 | 172.5 | 171.5 | 0 | 0 | 110.5 | A3 D4 | M1-A3 PolarHBondContact O-N 3.42Å; M1-D4 PolarHBondContact O-N 2.73Å | |||
| 2 | L | 55.8 | Low | 76.2 | Confident | 99 Ų | 99 | 71.3 Ų | 71.3 | 52% | 0.518 | 42% | 0.416 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -46.9 | -27.4 | -172.9 | -85.8 | 166 | 0 | 0 | 0 | 118.3 | Y43 | L2-Y43 HydrophobicContact CD2-CD1 3.88Å; L2-Y43 HydrophobicContact CD2-CE1 3.6Å; L2-Y43 HydrophobicContact CG-CE1 4.32Å |
| 3 | A | 62.6 | Low | 77.4 | Confident | 108 Ų | 108 | 73.4 Ų | 73.4 | 89% | 0.893 | 42% | 0.419 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -91 | -7.9 | 179.2 | 0 | 0 | 0 | 0 | 0 | 115.1 | M1 | M1-A3 PolarHBondContact O-N 3.42Š|
| 4 | D | 74.8 | Confident | 78.5 | Confident | 59 Ų | 59 | 71.6 Ų | 71.6 | 32% | 0.316 | 42% | 0.417 | S | S | . | . | trans | -108.6 | 116.3 | 177.2 | -178.7 | -25.3 | 0 | 0 | 0 | 108.6 | M1 T6 L7 R8 | M1-D4 PolarHBondContact O-N 2.73Å; D4-T6 VanDerWaalsContact C-N 3.28Å; D4-T6 PolarHBondContact O-N 2.98Å; D4-T6 WeakPolarHBondContact OD1-CB 3.48Å; D4-T6 PolarHBondContact OD1-N 2.89Å; D4-T6 PolarHBondContact OD1-OG1 3.3Å; D4-L7 HydrophobicContact CB-CB 4.24Å; D4-L7 HydrophobicContact CB-CD1 4.15Å; D4-L7 HydrophobicContact CB-CG 4.49Å; D4-L7 PolarHBondContact OD1-N 2.81Å; D4-R8 VanDerWaalsContact O-CB 3.25Å; D4-R8 WeakPolarHBondContact O-CB 3.23Å; D4-R8 PolarHBondContact O-N 2.81Å; D4-R8 VanDerWaalsContact O-N 3.15Å | ||
| 5 | P | 74.7 | Confident | 79.5 | Confident | 66 Ų | 66 | 67.5 Ų | 67.5 | 43% | 0.429 | 39% | 0.394 | S | S | . | . | H | α-helix | trans | -64.2 | -32.7 | -177.7 | 26.5 | -33.6 | 0 | 0 | 0 | 112.4 | R8 Y9 | P5-R8 PolarHBondContact O-N 2.82Å; P5-Y9 HydrophobicContact CB-CD2 4.49Å; P5-Y9 HydrophobicContact CB-CE2 4.04Å; P5-Y9 WeakPolarHBondContact O-CD2 3.33Å; P5-Y9 PolarHBondContact O-N 3.04Å |
| 6 | T | 79 | Confident | 80.3 | Confident | 95 Ų | 95 | 64.1 Ų | 64.1 | 58% | 0.583 | 38% | 0.375 | S | S | * | . | H | α-helix | trans | -70.6 | -50.7 | -175.5 | 66.1 | 0 | 0 | 0 | 0 | 111.5 | D4 R8 Y9 A10 | D4-T6 VanDerWaalsContact C-N 3.28Å; D4-T6 PolarHBondContact O-N 2.98Å; D4-T6 WeakPolarHBondContact OD1-CB 3.48Å; D4-T6 PolarHBondContact OD1-N 2.89Å; D4-T6 PolarHBondContact OD1-OG1 3.3Å; T6-R8 VanDerWaalsContact C-N 3.25Å; T6-R8 PolarHBondContact O-N 3.2Å; T6-Y9 PolarHBondContact O-N 2.94Å; T6-A10 PolarHBondContact O-N 2.89Å |
| 7 | L | 80.6 | Confident | 80.9 | Confident | 82 Ų | 82 | 65.3 Ų | 65.3 | 43% | 0.429 | 39% | 0.388 | S | S | . | . | H | α-helix | trans | -60.1 | -36.9 | 174 | -75.3 | 170.8 | 0 | 0 | 0 | 111.8 | D4 D11 | D4-L7 HydrophobicContact CB-CB 4.24Å; D4-L7 HydrophobicContact CB-CD1 4.15Å; D4-L7 HydrophobicContact CB-CG 4.49Å; D4-L7 PolarHBondContact OD1-N 2.81Å; L7-D11 WeakPolarHBondContact O-CB 3.47Å; L7-D11 PolarHBondContact O-N 2.87Å |
| 8 | R | 83.1 | Confident | 81.6 | Confident | 23 Ų | 23 | 64.1 Ų | 64.1 | 9% | 0.087 | 38% | 0.383 | C | S | . | . | H | α-helix | trans | -67.1 | -42.5 | 177.7 | -179.3 | -172.6 | 64.5 | 158.9 | 3.9 | 112.4 | D4 P5 T6 D11 I12 Y43 D52 | D4-R8 VanDerWaalsContact O-CB 3.25Å; D4-R8 WeakPolarHBondContact O-CB 3.23Å; D4-R8 PolarHBondContact O-N 2.81Å; D4-R8 VanDerWaalsContact O-N 3.15Å; P5-R8 PolarHBondContact O-N 2.82Å; T6-R8 VanDerWaalsContact C-N 3.25Å; T6-R8 PolarHBondContact O-N 3.2Å; R8-D11 PolarHBondContact O-N 2.88Å; R8-I12 HydrophobicContact CG-CD1 4.14Å; R8-I12 WeakPolarHBondContact O-CD1 3.4Å; R8-I12 VanDerWaalsContact O-CG1 3.27Å; R8-I12 WeakPolarHBondContact O-CG1 3.45Å; R8-I12 PolarHBondContact O-N 3.19Å; R8-Y43 HydrophobicContact CG-CD1 4.03Å; R8-Y43 HydrophobicContact CG-CE1 3.73Å; R8-D52 IonicContact CZ-OD2 3.84Å; R8-D52 IonicContact NH1-OD2 2.73Å; R8-D52 PolarHBondContact NH1-OD2 3.12Å; R8-D52 IonicContact NH2-OD2 2.68Å; R8-D52 PolarHBondContact NH2-OD2 3.21Å |
| 9 | Y | 85.9 | Confident | 82.2 | Confident | 67 Ų | 67 | 60.7 Ų | 60.7 | 26% | 0.263 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -70 | -37.3 | 177.1 | -62.9 | -42.6 | 0 | 0 | 0 | 112.3 | P5 T6 I12 Q13 E56 | P5-Y9 HydrophobicContact CB-CD2 4.49Å; P5-Y9 HydrophobicContact CB-CE2 4.04Å; P5-Y9 WeakPolarHBondContact O-CD2 3.33Å; P5-Y9 PolarHBondContact O-N 3.04Å; T6-Y9 PolarHBondContact O-N 2.94Å; Y9-I12 HydrophobicContact CD1-CD1 4.37Å; Y9-I12 PolarHBondContact O-N 3.23Å; Y9-Q13 WeakPolarHBondContact O-CG 3.33Å; Y9-Q13 PolarHBondContact O-N 3.18Å; Y9-E56 HydrophobicContact CD1-CG 3.79Å; Y9-E56 HydrophobicContact CE1-CG 3.6Å |
| 10 | A | 88 | Confident | 82.6 | Confident | 55 Ų | 55 | 58.2 Ų | 58.2 | 46% | 0.455 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -62.3 | -43.4 | 172.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | T6 I12 Q13 A14 | T6-A10 PolarHBondContact O-N 2.89Å; A10-I12 VanDerWaalsContact C-N 3.35Å; A10-I12 PolarHBondContact O-N 3.16Å; A10-Q13 PolarHBondContact O-N 2.85Å; A10-A14 WeakPolarHBondContact O-CB 3.41Å; A10-A14 PolarHBondContact O-N 2.61Å |
| 11 | D | 90.5 | Very high | 83 | Confident | 49 Ų | 49 | 60.6 Ų | 60.6 | 26% | 0.262 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -65.8 | -34.8 | 176.3 | -169.4 | 51.3 | 0 | 0 | 0 | 112.4 | L7 R8 A14 C15 Y43 | L7-D11 WeakPolarHBondContact O-CB 3.47Å; L7-D11 PolarHBondContact O-N 2.87Å; R8-D11 PolarHBondContact O-N 2.88Å; D11-A14 PolarHBondContact O-N 3.38Å; D11-C15 WeakPolarHBondContact O-CB 3.33Å; D11-C15 PolarHBondContact O-N 3.08Å; D11-C15 PolarHBondContact O-SG 3.22Å; D11-Y43 VanDerWaalsContact OD2-CE2 3.23Å; D11-Y43 WeakPolarHBondContact OD2-CE2 3.25Å; D11-Y43 VanDerWaalsContact OD2-CZ 3.27Å; D11-Y43 PolarHBondContact OD2-OH 3.42Å |
| 12 | I | 91.6 | Very high | 85 | Confident | 1 Ų | 1 | 61.2 Ų | 61.2 | 1% | 0.005 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -64.1 | -47 | 171.7 | -73.1 | 162.4 | 0 | 0 | 0 | 111.2 | R8 Y9 A10 A14 C15 C16 L40 Y43 I53 L57 L60 | R8-I12 HydrophobicContact CG-CD1 4.14Å; R8-I12 WeakPolarHBondContact O-CD1 3.4Å; R8-I12 VanDerWaalsContact O-CG1 3.27Å; R8-I12 WeakPolarHBondContact O-CG1 3.45Å; R8-I12 PolarHBondContact O-N 3.19Å; Y9-I12 HydrophobicContact CD1-CD1 4.37Å; Y9-I12 PolarHBondContact O-N 3.23Å; A10-I12 VanDerWaalsContact C-N 3.35Å; A10-I12 PolarHBondContact O-N 3.16Å; I12-A14 VanDerWaalsContact C-N 3.31Å; I12-A14 PolarHBondContact O-N 3.34Å; I12-C15 WeakPolarHBondContact O-CB 3.22Å; I12-C15 PolarHBondContact O-N 3.07Å; I12-C16 PolarHBondContact O-N 2.79Å; I12-C16 PolarHBondContact O-SG 2.95Å; I12-L40 HydrophobicContact CG1-CD2 4.48Å; I12-L40 HydrophobicContact CG2-CD2 4.22Å; I12-Y43 HydrophobicContact CD1-CD2 4.4Å; I12-Y43 HydrophobicContact CD1-CG 4.36Å; I12-Y43 HydrophobicContact CG1-CD2 3.81Å; I12-Y43 HydrophobicContact CG1-CE2 4.15Å; I12-Y43 HydrophobicContact CG1-CG 4.26Å; I12-I53 HydrophobicContact CD1-CD1 3.89Å; I12-I53 HydrophobicContact CD1-CG2 4.26Å; I12-L57 HydrophobicContact CG2-CD2 3.59Å; I12-L60 HydrophobicContact CG2-CD1 4.4Å |
| 13 | Q | 91.9 | Very high | 86.5 | Confident | 98 Ų | 98 | 61.2 Ų | 61.2 | 46% | 0.458 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -63.7 | -36.6 | 177.4 | -72.4 | 175.8 | -4.7 | 0 | 0 | 112.2 | Y9 A10 C16 S17 L60 | Y9-Q13 WeakPolarHBondContact O-CG 3.33Å; Y9-Q13 PolarHBondContact O-N 3.18Å; A10-Q13 PolarHBondContact O-N 2.85Å; Q13-C16 PolarHBondContact O-N 2.88Å; Q13-S17 PolarHBondContact O-N 3.23Å; Q13-S17 PolarHBondContact O-OG 3.3Å; Q13-L60 HydrophobicContact CG-CD1 4.07Å; Q13-L60 HydrophobicContact CG-CD2 4.33Å |
| 14 | A | 92.3 | Very high | 87.6 | Confident | 48 Ų | 48 | 59 Ų | 59 | 40% | 0.397 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -63.7 | -48.7 | 171.4 | 0 | 0 | 0 | 0 | 0 | 111.7 | A10 D11 I12 C16 S17 C18 | A10-A14 WeakPolarHBondContact O-CB 3.41Å; A10-A14 PolarHBondContact O-N 2.61Å; D11-A14 PolarHBondContact O-N 3.38Å; I12-A14 VanDerWaalsContact C-N 3.31Å; I12-A14 PolarHBondContact O-N 3.34Å; A14-C16 VanDerWaalsContact C-N 3.29Å; A14-C16 PolarHBondContact O-N 3.27Å; A14-S17 WeakPolarHBondContact O-CB 3.48Å; A14-S17 PolarHBondContact O-N 3.36Å; A14-S17 VanDerWaalsContact O-N 3.1Å; A14-C18 PolarHBondContact O-N 2.83Å |
| 15 | C | 93.2 | Very high | 88 | Confident | 11 Ų | 11 | 63.1 Ų | 63.1 | 7% | 0.074 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -57 | -40.9 | 174.9 | -70.6 | 0 | 0 | 0 | 0 | 112.3 | D11 I12 C18 L19 S36 L40 | D11-C15 WeakPolarHBondContact O-CB 3.33Å; D11-C15 PolarHBondContact O-N 3.08Å; D11-C15 PolarHBondContact O-SG 3.22Å; I12-C15 WeakPolarHBondContact O-CB 3.22Å; I12-C15 PolarHBondContact O-N 3.07Å; C15-C18 CarbonylContact O-C 3.6Å; C15-C18 PolarHBondContact O-N 3.37Å; C15-L19 WeakPolarHBondContact O-CG 3.27Å; C15-S36 VanDerWaalsContact O-CB 3.26Å; C15-S36 WeakPolarHBondContact O-CB 3.39Å; C15-S36 PolarHBondContact O-OG 2.81Å; C15-L40 HydrophobicContact CB-CD2 3.64Å; C15-L40 HydrophobicContact CB-CG 4Å |
| 16 | C | 92.3 | Very high | 88.4 | Confident | 13 Ų | 13 | 64 Ų | 64 | 9% | 0.088 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -67 | -37.3 | 176.4 | -67 | 0 | 0 | 0 | 0 | 112.3 | I12 Q13 A14 L19 L60 I62 | I12-C16 PolarHBondContact O-N 2.79Å; I12-C16 PolarHBondContact O-SG 2.95Å; Q13-C16 PolarHBondContact O-N 2.88Å; A14-C16 VanDerWaalsContact C-N 3.29Å; A14-C16 PolarHBondContact O-N 3.27Å; C16-L19 WeakPolarHBondContact O-CB 3.35Å; C16-L19 WeakPolarHBondContact O-CG 3.46Å; C16-L19 PolarHBondContact O-N 3.15Å; C16-L60 HydrophobicContact CB-CD1 4.48Å; C16-I62 HydrophobicContact CB-CG2 4.26Å |
| 17 | S | 91.3 | Very high | 89 | Confident | 84 Ų | 84 | 60.2 Ų | 60.2 | 59% | 0.587 | 34% | 0.336 | S | S | * | . | H | α-helix | trans | -66.6 | -39.4 | 175.8 | -53.9 | 0 | 0 | 0 | 0 | 111.6 | Q13 A14 L19 | Q13-S17 PolarHBondContact O-N 3.23Å; Q13-S17 PolarHBondContact O-OG 3.3Å; A14-S17 WeakPolarHBondContact O-CB 3.48Å; A14-S17 PolarHBondContact O-N 3.36Å; A14-S17 VanDerWaalsContact O-N 3.1Å; S17-L19 PolarHBondContact O-N 3.32Å; S17-L19 VanDerWaalsContact O-N 3.09Å |
| 18 | C | 93.1 | Very high | 89.5 | Confident | 44 Ų | 44 | 60.3 Ų | 60.3 | 30% | 0.297 | 33% | 0.332 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -81.9 | 35.9 | 175.5 | -61.8 | 0 | 0 | 0 | 0 | 113 | A14 C15 D32 A33 S36 | A14-C18 PolarHBondContact O-N 2.83Å; C15-C18 CarbonylContact O-C 3.6Å; C15-C18 PolarHBondContact O-N 3.37Å; C18-D32 HydrophobicContact CB-CB 4.49Å; C18-A33 VanDerWaalsContact O-CA 3.3Å; C18-A33 WeakPolarHBondContact O-CA 3.45Å; C18-A33 PolarHBondContact O-N 2.91Å; C18-S36 WeakPolarHBondContact CB-OG 3.16Å; C18-S36 WeakPolarHBondContact O-CB 3.42Å; C18-S36 PolarHBondContact O-OG 3.48Å |
| 19 | L | 93.2 | Very high | 89.9 | Confident | 0 Ų | 0 | 62.3 Ų | 62.3 | 0% | 0 | 34% | 0.344 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -100.1 | -27 | 167 | -66.2 | 179.5 | 0 | 0 | 0 | 112.2 | C15 C16 S17 Y27 D30 I37 D66 L67 L70 | C15-L19 WeakPolarHBondContact O-CG 3.27Å; C16-L19 WeakPolarHBondContact O-CB 3.35Å; C16-L19 WeakPolarHBondContact O-CG 3.46Å; C16-L19 PolarHBondContact O-N 3.15Å; S17-L19 PolarHBondContact O-N 3.32Å; S17-L19 VanDerWaalsContact O-N 3.09Å; L19-Y27 VanDerWaalsContact C-OH 3.31Å; L19-Y27 PolarHBondContact O-OH 3.45Å; L19-D30 PolarHBondContact O-N 3.37Å; L19-I37 HydrophobicContact CD2-CD1 4.07Å; L19-I37 HydrophobicContact CD2-CG1 3.52Å; L19-D66 HydrophobicContact CB-CB 4.41Å; L19-D66 HydrophobicContact CD1-CB 3.91Å; L19-L67 HydrophobicContact CD1-CD2 4.4Å; L19-L70 HydrophobicContact CB-CD1 4.37Å |
| 20 | G | 90.8 | Very high | 90.1 | Very high | 9 Ų | 9 | 61.7 Ų | 61.7 | 9% | 0.093 | 35% | 0.345 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 134 | -168.4 | -171.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | Y27 K28 | G20-Y27 WeakPolarHBondContact CA-OH 3.48Å; G20-Y27 PolarHBondContact N-OH 2.89Å; G20-K28 CarbonylContact C-O 3.58Å; G20-K28 WeakPolarHBondContact CA-O 3.44Å |
| 21 | F | 91 | Very high | 90.2 | Very high | 110 Ų | 110 | 65.6 Ų | 65.6 | 48% | 0.482 | 36% | 0.364 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -158.3 | 154.7 | 179.5 | 57.3 | -85.5 | 0 | 0 | 0 | 111.6 | E23 K28 | F21-E23 HydrophobicContact CD2-CB 4.37Å; F21-E23 HydrophobicContact CE2-CB 4.21Å; F21-K28 HydrophobicContact CE1-CB 4.25Å; F21-K28 HydrophobicContact CE2-CB 4.19Å; F21-K28 HydrophobicContact CE2-CD 3.94Å; F21-K28 HydrophobicContact CE2-CG 4.48Å; F21-K28 HydrophobicContact CZ-CB 4.02Å; F21-K28 HydrophobicContact CZ-CD 3.96Å; F21-K28 PolarHBondContact N-O 3.44Å; F21-K28 PolarHBondContact O-N 3Å |
| 22 | R | 88.6 | Confident | 90.3 | Very high | 164 Ų | 164 | 67.5 Ų | 67.5 | 62% | 0.619 | 37% | 0.374 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -88.8 | 120.4 | 174.2 | -177.4 | 171 | 178.3 | 162.4 | 0.5 | 111.1 | G24 D25 Y27 | R22-G24 WeakPolarHBondContact CG-O 3.4Å; R22-G24 PolarHBondContact NE-O 2.88Å; R22-D25 IonicContact CZ-OD1 3.57Å; R22-D25 IonicContact NH2-OD1 3.49Å; R22-D25 PolarHBondContact NH2-OD1 3.43Å; R22-Y27 HydrophobicContact CB-CD2 4.41Å |
| 23 | E | 88 | Confident | 90.4 | Very high | 100 Ų | 100 | 67.5 Ų | 67.5 | 47% | 0.467 | 37% | 0.374 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.1 | 102.9 | 173.4 | -165.9 | -178.9 | 114.7 | 0 | 0 | 108.9 | F21 D25 T26 K28 | F21-E23 HydrophobicContact CD2-CB 4.37Å; F21-E23 HydrophobicContact CE2-CB 4.21Å; E23-D25 PolarHBondContact O-N 2.65Å; E23-T26 CarbonylContact C-O 3.53Å; E23-T26 PolarHBondContact N-O 3.24Å; E23-T26 PolarHBondContact O-N 3.02Å; E23-T26 VanDerWaalsContact O-N 3.09Å; E23-T26 VanDerWaalsContact O-O 3.12Å; E23-T26 PolarHBondContact O-OG1 3Å; E23-K28 HydrophobicContact CB-CD 4.35Å; E23-K28 IonicContact OE1-NZ 3.86Å; E23-K28 PolarHBondContact OE1-NZ 2.84Å; E23-K28 WeakPolarHBondContact OE2-CE 3.42Å; E23-K28 IonicContact OE2-NZ 3.74Å; E23-K28 PolarHBondContact OE2-NZ 2.78Å |
| 24 | G | 86 | Confident | 90.5 | Very high | 61 Ų | 61 | 64.7 Ų | 64.7 | 63% | 0.629 | 36% | 0.361 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 63.8 | -124 | -168.7 | 0 | 0 | 0 | 0 | 0 | 111.1 | R22 | R22-G24 WeakPolarHBondContact CG-O 3.4Å; R22-G24 PolarHBondContact NE-O 2.88Å |
| 25 | D | 82.6 | Confident | 90.6 | Very high | 145 Ų | 145 | 66.1 Ų | 66.1 | 78% | 0.775 | 37% | 0.365 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -95.5 | 0.4 | 173 | -67.7 | -43 | 0 | 0 | 0 | 113.7 | R22 E23 | R22-D25 IonicContact CZ-OD1 3.57Å; R22-D25 IonicContact NH2-OD1 3.49Å; R22-D25 PolarHBondContact NH2-OD1 3.43Å; E23-D25 PolarHBondContact O-N 2.65Å |
| 26 | T | 84.6 | Confident | 90.7 | Very high | 84 Ų | 84 | 66 Ų | 66 | 52% | 0.515 | 36% | 0.364 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.3 | 130.7 | 176.5 | 62.2 | 0 | 0 | 0 | 0 | 111.3 | E23 | E23-T26 CarbonylContact C-O 3.53Å; E23-T26 PolarHBondContact N-O 3.24Å; E23-T26 PolarHBondContact O-N 3.02Å; E23-T26 VanDerWaalsContact O-N 3.09Å; E23-T26 VanDerWaalsContact O-O 3.12Å; E23-T26 PolarHBondContact O-OG1 3Å |
| 27 | Y | 90.9 | Very high | 90.8 | Very high | 16 Ų | 16 | 65.4 Ų | 65.4 | 6% | 0.063 | 36% | 0.36 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.9 | 125.2 | 169.9 | -173.6 | -81.8 | 0 | 0 | 0 | 109.8 | L19 G20 R22 I29 D66 P69 L70 | L19-Y27 VanDerWaalsContact C-OH 3.31Å; L19-Y27 PolarHBondContact O-OH 3.45Å; G20-Y27 WeakPolarHBondContact CA-OH 3.48Å; G20-Y27 PolarHBondContact N-OH 2.89Å; R22-Y27 HydrophobicContact CB-CD2 4.41Å; Y27-I29 HydrophobicContact CD1-CG1 4.26Å; Y27-I29 HydrophobicContact CE1-CG1 4.34Å; Y27-D66 HydrophobicContact CE2-CB 4.4Å; Y27-P69 HydrophobicContact CD2-CB 3.57Å; Y27-P69 HydrophobicContact CD2-CG 4.39Å; Y27-P69 HydrophobicContact CE2-CB 4.24Å; Y27-P69 HydrophobicContact CG-CB 3.74Å; Y27-L70 HydrophobicContact CD1-CD2 4.34Å; Y27-L70 HydrophobicContact CD1-CG 4.42Å; Y27-L70 HydrophobicContact CE1-CD2 3.63Å; Y27-L70 HydrophobicContact CE1-CG 3.68Å |
| 28 | K | 90 | Very high | 91.1 | Very high | 84 Ų | 84 | 66.2 Ų | 66.2 | 37% | 0.365 | 35% | 0.35 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.9 | 125 | 178.2 | -66.6 | -173.9 | -178.9 | 176.5 | 0 | 109.5 | G20 F21 E23 | G20-K28 CarbonylContact C-O 3.58Å; G20-K28 WeakPolarHBondContact CA-O 3.44Å; F21-K28 HydrophobicContact CE1-CB 4.25Å; F21-K28 HydrophobicContact CE2-CB 4.19Å; F21-K28 HydrophobicContact CE2-CD 3.94Å; F21-K28 HydrophobicContact CE2-CG 4.48Å; F21-K28 HydrophobicContact CZ-CB 4.02Å; F21-K28 HydrophobicContact CZ-CD 3.96Å; F21-K28 PolarHBondContact N-O 3.44Å; F21-K28 PolarHBondContact O-N 3Å; E23-K28 HydrophobicContact CB-CD 4.35Å; E23-K28 IonicContact OE1-NZ 3.86Å; E23-K28 PolarHBondContact OE1-NZ 2.84Å; E23-K28 WeakPolarHBondContact OE2-CE 3.42Å; E23-K28 IonicContact OE2-NZ 3.74Å; E23-K28 PolarHBondContact OE2-NZ 2.78Å |
| 29 | I | 91.5 | Very high | 91.1 | Very high | 66 Ų | 66 | 65.1 Ų | 65.1 | 34% | 0.338 | 34% | 0.342 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.5 | 133.5 | -176.5 | -50.3 | -175.7 | 0 | 0 | 0 | 109.4 | Y27 A33 L70 C73 C74 L80 | Y27-I29 HydrophobicContact CD1-CG1 4.26Å; Y27-I29 HydrophobicContact CE1-CG1 4.34Å; I29-A33 HydrophobicContact CG2-CB 3.93Å; I29-L70 HydrophobicContact CB-CD2 4.4Å; I29-L70 HydrophobicContact CD1-CD2 4.06Å; I29-L70 HydrophobicContact CG1-CD2 3.89Å; I29-L70 HydrophobicContact CG2-CD2 3.92Å; I29-C73 HydrophobicContact CD1-CB 4.36Å; I29-C74 HydrophobicContact CD1-CB 3.72Å; I29-L80 HydrophobicContact CD1-CD2 4.17Å; I29-L80 HydrophobicContact CG2-CD2 3.67Å |
| 30 | D | 91.9 | Very high | 91.3 | Very high | 53 Ų | 53 | 65.1 Ų | 65.1 | 28% | 0.283 | 34% | 0.342 | S | S | . | . | P | Polyproline II helix | trans | -74 | 145.3 | 172.6 | -163.1 | -48.7 | 0 | 0 | 0 | 111.1 | L19 D32 A33 | L19-D30 PolarHBondContact O-N 3.37Å; D30-D32 PolarHBondContact O-N 3.14Å; D30-D32 PolarHBondContact OD1-N 2.9Å; D30-A33 VanDerWaalsContact O-CB 3.28Å; D30-A33 WeakPolarHBondContact O-CB 3.21Å; D30-A33 PolarHBondContact O-N 2.78Å |
| 31 | T | 89.5 | Confident | 91.5 | Very high | 138 Ų | 138 | 66.1 Ų | 66.1 | 85% | 0.847 | 35% | 0.345 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -51.1 | -36.1 | 169.4 | 34.7 | 0 | 0 | 0 | 0 | 114.3 | ||
| 32 | D | 92.6 | Very high | 91.7 | Very high | 89 Ų | 89 | 67 Ų | 67 | 48% | 0.476 | 35% | 0.345 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -90.7 | 1.3 | -177.6 | -82 | -39.1 | 0 | 0 | 0 | 114.2 | C18 D30 E34 V35 S36 | C18-D32 HydrophobicContact CB-CB 4.49Å; D30-D32 PolarHBondContact O-N 3.14Å; D30-D32 PolarHBondContact OD1-N 2.9Å; D32-E34 VanDerWaalsContact C-N 3.29Å; D32-E34 PolarHBondContact O-N 2.95Å; D32-E34 VanDerWaalsContact O-N 3.08Å; D32-V35 WeakPolarHBondContact O-CA 3.29Å; D32-V35 WeakPolarHBondContact O-CB 3.4Å; D32-V35 PolarHBondContact O-N 3.24Å; D32-S36 PolarHBondContact O-N 2.95Å; D32-S36 PolarHBondContact O-OG 3.17Å |
| 33 | A | 93.1 | Very high | 91.9 | Very high | 1 Ų | 1 | 60 Ų | 60 | 1% | 0.008 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -52.9 | -37.9 | -172.3 | 0 | 0 | 0 | 0 | 0 | 114.7 | C18 I29 D30 S36 I37 L80 | C18-A33 VanDerWaalsContact O-CA 3.3Å; C18-A33 WeakPolarHBondContact O-CA 3.45Å; C18-A33 PolarHBondContact O-N 2.91Å; I29-A33 HydrophobicContact CG2-CB 3.93Å; D30-A33 VanDerWaalsContact O-CB 3.28Å; D30-A33 WeakPolarHBondContact O-CB 3.21Å; D30-A33 PolarHBondContact O-N 2.78Å; A33-S36 WeakPolarHBondContact O-CB 3.5Å; A33-I37 WeakPolarHBondContact O-CG1 3.42Å; A33-I37 PolarHBondContact O-N 2.58Å; A33-L80 HydrophobicContact CB-CD1 4.18Å |
| 34 | E | 94 | Very high | 92.1 | Very high | 39 Ų | 39 | 55.4 Ų | 55.4 | 18% | 0.182 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -68.2 | -34.8 | 175.5 | -58.9 | -168.7 | 165.7 | 0 | 0 | 113.2 | D32 R38 N77 T79 L80 L83 | D32-E34 VanDerWaalsContact C-N 3.29Å; D32-E34 PolarHBondContact O-N 2.95Å; D32-E34 VanDerWaalsContact O-N 3.08Å; E34-R38 WeakPolarHBondContact O-CB 3.41Å; E34-R38 WeakPolarHBondContact O-CD 3.37Å; E34-R38 WeakPolarHBondContact O-CG 3.3Å; E34-R38 PolarHBondContact O-N 2.98Å; E34-R38 IonicContact OE2-CZ 3.76Å; E34-R38 IonicContact OE2-NH1 2.82Å; E34-R38 PolarHBondContact OE2-NH1 3.28Å; E34-R38 IonicContact OE2-NH2 2.68Å; E34-R38 PolarHBondContact OE2-NH2 2.92Å; E34-N77 PolarHBondContact OE1-ND2 3.03Å; E34-N77 PolarHBondContact OE1-OD1 3.14Å; E34-T79 PolarHBondContact OE1-OG1 3.13Å; E34-L80 HydrophobicContact CG-CB 3.96Å; E34-L80 HydrophobicContact CG-CD1 3.97Å; E34-L80 HydrophobicContact CG-CG 4.47Å; E34-L80 PolarHBondContact OE1-N 2.92Å; E34-L83 HydrophobicContact CB-CD1 4.01Å; E34-L83 HydrophobicContact CG-CD1 4.42Å |
| 35 | V | 94.3 | Very high | 92.4 | Very high | 78 Ų | 78 | 60.9 Ų | 60.9 | 47% | 0.473 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -73.1 | -40.6 | 179.7 | -176.9 | 0 | 0 | 0 | 0 | 109.8 | D32 T39 | D32-V35 WeakPolarHBondContact O-CA 3.29Å; D32-V35 WeakPolarHBondContact O-CB 3.4Å; D32-V35 PolarHBondContact O-N 3.24Å; V35-T39 WeakPolarHBondContact O-CB 3.45Å; V35-T39 PolarHBondContact O-N 2.85Å; V35-T39 PolarHBondContact O-OG1 3.06Å |
| 36 | S | 95.1 | Very high | 92.6 | Very high | 8 Ų | 8 | 57.8 Ų | 57.8 | 6% | 0.056 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -54.4 | -56.2 | 169.8 | -60.6 | 0 | 0 | 0 | 0 | 111.3 | C15 C18 D32 A33 R38 T39 L40 | C15-S36 VanDerWaalsContact O-CB 3.26Å; C15-S36 WeakPolarHBondContact O-CB 3.39Å; C15-S36 PolarHBondContact O-OG 2.81Å; C18-S36 WeakPolarHBondContact CB-OG 3.16Å; C18-S36 WeakPolarHBondContact O-CB 3.42Å; C18-S36 PolarHBondContact O-OG 3.48Å; D32-S36 PolarHBondContact O-N 2.95Å; D32-S36 PolarHBondContact O-OG 3.17Å; A33-S36 WeakPolarHBondContact O-CB 3.5Å; S36-R38 PolarHBondContact O-N 2.98Å; S36-T39 CarbonylContact O-C 3.42Å; S36-T39 WeakPolarHBondContact O-CA 3.47Å; S36-T39 WeakPolarHBondContact O-CB 3.33Å; S36-T39 PolarHBondContact O-N 3.5Å; S36-L40 WeakPolarHBondContact O-CG 3.2Å; S36-L40 PolarHBondContact O-N 3.28Å |
| 37 | I | 95.7 | Very high | 92.8 | Very high | 0 Ų | 0 | 56 Ų | 56 | 0% | 0 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -64.7 | -40.5 | -178.1 | -64.7 | 169.7 | 0 | 0 | 0 | 112.2 | L19 A33 T39 L40 L41 L70 L80 L83 V84 L87 | L19-I37 HydrophobicContact CD2-CD1 4.07Å; L19-I37 HydrophobicContact CD2-CG1 3.52Å; A33-I37 WeakPolarHBondContact O-CG1 3.42Å; A33-I37 PolarHBondContact O-N 2.58Å; I37-T39 PolarHBondContact O-N 3.07Å; I37-L40 PolarHBondContact O-N 2.75Å; I37-L41 HydrophobicContact CG2-CD1 4.08Å; I37-L41 HydrophobicContact CG2-CG 4.41Å; I37-L41 WeakPolarHBondContact O-CB 3.4Å; I37-L41 WeakPolarHBondContact O-CG 3.37Å; I37-L41 PolarHBondContact O-N 3.19Å; I37-L70 HydrophobicContact CD1-CD1 4.47Å; I37-L80 HydrophobicContact CD1-CD1 3.76Å; I37-L83 HydrophobicContact CB-CB 4.35Å; I37-L83 HydrophobicContact CG2-CB 3.76Å; I37-L83 WeakPolarHBondContact CG2-O 3.48Å; I37-V84 HydrophobicContact CD1-CG2 3.51Å; I37-L87 HydrophobicContact CG1-CD2 4.35Å; I37-L87 HydrophobicContact CG2-CB 4.06Å; I37-L87 HydrophobicContact CG2-CD2 4Å |
| 38 | R | 96.1 | Very high | 92.8 | Very high | 101 Ų | 101 | 58.1 Ų | 58.1 | 38% | 0.381 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -58.1 | -31.2 | 172.4 | -74 | 168.3 | -173.4 | 123.8 | 5.7 | 112.2 | E34 S36 R42 L83 | E34-R38 WeakPolarHBondContact O-CB 3.41Å; E34-R38 WeakPolarHBondContact O-CD 3.37Å; E34-R38 WeakPolarHBondContact O-CG 3.3Å; E34-R38 PolarHBondContact O-N 2.98Å; E34-R38 IonicContact OE2-CZ 3.76Å; E34-R38 IonicContact OE2-NH1 2.82Å; E34-R38 PolarHBondContact OE2-NH1 3.28Å; E34-R38 IonicContact OE2-NH2 2.68Å; E34-R38 PolarHBondContact OE2-NH2 2.92Å; S36-R38 PolarHBondContact O-N 2.98Å; R38-R42 PolarHBondContact O-N 3.03Å; R38-L83 HydrophobicContact CG-CD1 3.86Å; R38-L83 HydrophobicContact CG-CD2 3.74Å; R38-L83 HydrophobicContact CG-CG 4.49Å |
| 39 | T | 94.6 | Very high | 92.7 | Very high | 21 Ų | 21 | 56.8 Ų | 56.8 | 13% | 0.129 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -82.8 | -39.4 | 179.3 | -61 | 0 | 0 | 0 | 0 | 112 | V35 S36 I37 L41 R42 Y43 | V35-T39 WeakPolarHBondContact O-CB 3.45Å; V35-T39 PolarHBondContact O-N 2.85Å; V35-T39 PolarHBondContact O-OG1 3.06Å; S36-T39 CarbonylContact O-C 3.42Å; S36-T39 WeakPolarHBondContact O-CA 3.47Å; S36-T39 WeakPolarHBondContact O-CB 3.33Å; S36-T39 PolarHBondContact O-N 3.5Å; I37-T39 PolarHBondContact O-N 3.07Å; T39-L41 PolarHBondContact O-N 3.13Å; T39-R42 WeakPolarHBondContact O-CB 3.22Å; T39-R42 PolarHBondContact O-N 2.95Å; T39-R42 VanDerWaalsContact O-N 3.11Å; T39-R42 PolarHBondContact OG1-NH1 3.46Å; T39-R42 VanDerWaalsContact OG1-NH1 3.14Å; T39-Y43 HydrophobicContact CG2-CD2 4.05Å; T39-Y43 HydrophobicContact CG2-CE2 3.69Å; T39-Y43 WeakPolarHBondContact O-CD2 3.28Å; T39-Y43 PolarHBondContact O-N 3.19Å |
| 40 | L | 95.8 | Very high | 92.6 | Very high | 0 Ų | 0 | 58.6 Ų | 58.6 | 0% | 0 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -59.6 | -43.6 | 170.1 | -64.8 | -176.7 | 0 | 0 | 0 | 112 | I12 C15 S36 I37 R42 Y43 L44 L57 I62 L87 | I12-L40 HydrophobicContact CG1-CD2 4.48Å; I12-L40 HydrophobicContact CG2-CD2 4.22Å; C15-L40 HydrophobicContact CB-CD2 3.64Å; C15-L40 HydrophobicContact CB-CG 4Å; S36-L40 WeakPolarHBondContact O-CG 3.2Å; S36-L40 PolarHBondContact O-N 3.28Å; I37-L40 PolarHBondContact O-N 2.75Å; L40-R42 VanDerWaalsContact C-N 3.31Å; L40-R42 PolarHBondContact O-N 2.64Å; L40-Y43 PolarHBondContact O-N 3.09Å; L40-L44 PolarHBondContact O-N 2.7Å; L40-L57 HydrophobicContact CD1-CD2 4.44Å; L40-L57 HydrophobicContact CD2-CD2 4Å; L40-I62 HydrophobicContact CD1-CD1 4.4Å; L40-L87 HydrophobicContact CB-CD1 4.46Å; L40-L87 HydrophobicContact CB-CD2 4.46Å; L40-L87 HydrophobicContact CD1-CD2 4.12Å |
| 41 | L | 95.9 | Very high | 92.6 | Very high | 30 Ų | 30 | 56.1 Ų | 56.1 | 16% | 0.157 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -60.6 | -37.7 | 172.9 | -76.5 | 169.9 | 0 | 0 | 0 | 112.5 | I37 T39 R45 L83 R86 L87 | I37-L41 HydrophobicContact CG2-CD1 4.08Å; I37-L41 HydrophobicContact CG2-CG 4.41Å; I37-L41 WeakPolarHBondContact O-CB 3.4Å; I37-L41 WeakPolarHBondContact O-CG 3.37Å; I37-L41 PolarHBondContact O-N 3.19Å; T39-L41 PolarHBondContact O-N 3.13Å; L41-R45 PolarHBondContact O-N 3.28Å; L41-R45 VanDerWaalsContact O-N 3.11Å; L41-L83 HydrophobicContact CD1-CD2 3.98Å; L41-R86 HydrophobicContact CD1-CB 4.14Å; L41-R86 HydrophobicContact CD2-CB 4.45Å; L41-L87 HydrophobicContact CD2-CB 4.22Å; L41-L87 HydrophobicContact CD2-CD1 4.19Å; L41-L87 HydrophobicContact CG-CB 4.44Å; L41-L87 HydrophobicContact CG-CD1 4.45Å |
| 42 | R | 94.1 | Very high | 92.7 | Very high | 128 Ų | 128 | 49.9 Ų | 49.9 | 48% | 0.483 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -66.4 | -36.3 | 175.1 | -169.6 | -170.5 | -62.4 | 117.2 | 1.2 | 111.9 | R38 T39 L40 | R38-R42 PolarHBondContact O-N 3.03Å; T39-R42 WeakPolarHBondContact O-CB 3.22Å; T39-R42 PolarHBondContact O-N 2.95Å; T39-R42 VanDerWaalsContact O-N 3.11Å; T39-R42 PolarHBondContact OG1-NH1 3.46Å; T39-R42 VanDerWaalsContact OG1-NH1 3.14Å; L40-R42 VanDerWaalsContact C-N 3.31Å; L40-R42 PolarHBondContact O-N 2.64Å |
| 43 | Y | 93.5 | Very high | 92.7 | Very high | 18 Ų | 18 | 45.7 Ų | 45.7 | 7% | 0.071 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -69.6 | -45.7 | 174.3 | -77.3 | -56.3 | 0 | 0 | 0 | 112.1 | L2 R8 D11 I12 T39 L40 R45 N46 E47 | L2-Y43 HydrophobicContact CD2-CD1 3.88Å; L2-Y43 HydrophobicContact CD2-CE1 3.6Å; L2-Y43 HydrophobicContact CG-CE1 4.32Å; R8-Y43 HydrophobicContact CG-CD1 4.03Å; R8-Y43 HydrophobicContact CG-CE1 3.73Å; D11-Y43 VanDerWaalsContact OD2-CE2 3.23Å; D11-Y43 WeakPolarHBondContact OD2-CE2 3.25Å; D11-Y43 VanDerWaalsContact OD2-CZ 3.27Å; D11-Y43 PolarHBondContact OD2-OH 3.42Å; I12-Y43 HydrophobicContact CD1-CD2 4.4Å; I12-Y43 HydrophobicContact CD1-CG 4.36Å; I12-Y43 HydrophobicContact CG1-CD2 3.81Å; I12-Y43 HydrophobicContact CG1-CE2 4.15Å; I12-Y43 HydrophobicContact CG1-CG 4.26Å; T39-Y43 HydrophobicContact CG2-CD2 4.05Å; T39-Y43 HydrophobicContact CG2-CE2 3.69Å; T39-Y43 WeakPolarHBondContact O-CD2 3.28Å; T39-Y43 PolarHBondContact O-N 3.19Å; L40-Y43 PolarHBondContact O-N 3.09Å; Y43-R45 VanDerWaalsContact C-N 3.34Å; Y43-R45 PolarHBondContact O-N 2.98Å; Y43-N46 CarbonylContact O-C 3.51Å; Y43-N46 VanDerWaalsContact O-C 3.32Å; Y43-N46 WeakPolarHBondContact O-CA 3.31Å; Y43-N46 PolarHBondContact O-N 3.18Å; Y43-E47 PolarHBondContact O-N 3.01Å |
| 44 | L | 93.3 | Very high | 92.8 | Very high | 3 Ų | 3 | 45.8 Ų | 45.8 | 2% | 0.016 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -60 | -39.2 | 177.6 | -78.3 | 167.1 | 0 | 0 | 0 | 113 | L40 N46 E47 I53 R54 L57 L87 N90 L91 | L40-L44 PolarHBondContact O-N 2.7Å; L44-N46 PolarHBondContact O-N 2.72Å; L44-E47 WeakPolarHBondContact O-CB 3.36Å; L44-E47 WeakPolarHBondContact O-CG 3.32Å; L44-E47 PolarHBondContact O-N 3.28Å; L44-I53 HydrophobicContact CD2-CB 4.19Å; L44-I53 HydrophobicContact CD2-CG2 3.83Å; L44-I53 HydrophobicContact CG-CG2 3.98Å; L44-R54 HydrophobicContact CD2-CB 4.06Å; L44-L57 HydrophobicContact CD1-CD1 4.02Å; L44-L57 HydrophobicContact CD2-CD1 4.18Å; L44-L57 HydrophobicContact CG-CD1 4.1Å; L44-L87 HydrophobicContact CD1-CD1 3.43Å; L44-L87 VanDerWaalsContact CD1-CD1 3.43Å; L44-N90 HydrophobicContact CD1-CB 4.41Å; L44-L91 HydrophobicContact CD1-CD2 4.03Å; L44-L91 HydrophobicContact CD1-CG 4.39Å; L44-L91 HydrophobicContact CD2-CD2 4.34Å |
| 45 | R | 91.4 | Very high | 92.8 | Very high | 177 Ų | 177 | 45.8 Ų | 45.8 | 67% | 0.668 | 22% | 0.219 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -64.2 | -19.9 | 175.1 | -165.8 | 176.4 | 67.3 | 170.4 | -4.2 | 113.3 | L41 Y43 D1101 | L41-R45 PolarHBondContact O-N 3.28Å; L41-R45 VanDerWaalsContact O-N 3.11Å; Y43-R45 VanDerWaalsContact C-N 3.34Å; Y43-R45 PolarHBondContact O-N 2.98Å; R45-D1101 IonicContact NH1-OD2 3.17Å |
| 46 | N | 87.3 | Confident | 92.8 | Very high | 80 Ų | 80 | 44 Ų | 44 | 43% | 0.428 | 21% | 0.206 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -110.7 | 23 | 179.9 | -63.6 | -9.7 | 0 | 0 | 0 | 112 | Y43 L44 | Y43-N46 CarbonylContact O-C 3.51Å; Y43-N46 VanDerWaalsContact O-C 3.32Å; Y43-N46 WeakPolarHBondContact O-CA 3.31Å; Y43-N46 PolarHBondContact O-N 3.18Å; L44-N46 PolarHBondContact O-N 2.72Å |
| 47 | E | 88 | Confident | 92.8 | Very high | 47 Ų | 47 | 43.6 Ų | 43.6 | 22% | 0.22 | 20% | 0.203 | C | C | . | . | trans | -66.6 | 154.8 | -178.8 | 74.9 | -179.8 | 152.9 | 0 | 0 | 113.1 | Y43 L44 C51 I53 R54 | Y43-E47 PolarHBondContact O-N 3.01Å; L44-E47 WeakPolarHBondContact O-CB 3.36Å; L44-E47 WeakPolarHBondContact O-CG 3.32Å; L44-E47 PolarHBondContact O-N 3.28Å; E47-C51 WeakPolarHBondContact OE2-CA 3.23Å; E47-C51 WeakPolarHBondContact OE2-CB 3.28Å; E47-I53 HydrophobicContact CB-CB 4.09Å; E47-I53 HydrophobicContact CB-CG1 3.74Å; E47-R54 IonicContact OE1-CZ 2.58Å; E47-R54 IonicContact OE1-NE 2.78Å; E47-R54 PolarHBondContact OE1-NE 3.37Å; E47-R54 IonicContact OE1-NH2 2.66Å; E47-R54 PolarHBondContact OE1-NH2 2.74Å; E47-R54 WeakPolarHBondContact OE2-CB 3.35Å; E47-R54 IonicContact OE2-CZ 3.77Å; E47-R54 IonicContact OE2-NE 3.63Å; E47-R54 PolarHBondContact OE2-NE 3.34Å; E47-R54 IonicContact OE2-NH2 3.27Å | ||
| 48 | T | 90.3 | Very high | 92.7 | Very high | 59 Ų | 59 | 43.8 Ų | 43.8 | 36% | 0.362 | 21% | 0.205 | S | C | . | . | trans | -78 | 172.4 | 178.2 | 65.9 | 0 | 0 | 0 | 0 | 111.8 | E50 C51 D52 | T48-E50 PolarHBondContact O-N 3.19Å; T48-E50 VanDerWaalsContact O-N 3.09Å; T48-E50 PolarHBondContact OG1-N 3.39Å; T48-C51 PolarHBondContact O-N 2.7Å; T48-D52 WeakPolarHBondContact CB-OD1 3.4Å; T48-D52 WeakPolarHBondContact CG2-OD1 3.28Å; T48-D52 VanDerWaalsContact CG2-OD2 3.3Å; T48-D52 WeakPolarHBondContact CG2-OD2 3.44Å; T48-D52 PolarHBondContact N-OD1 3.03Å; T48-D52 PolarHBondContact OG1-OD1 2.93Å; T48-D52 PolarHBondContact OG1-OD2 3.12Å | ||
| 49 | A | 88.3 | Confident | 92.5 | Very high | 56 Ų | 56 | 44.5 Ų | 44.5 | 46% | 0.463 | 21% | 0.213 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -64.4 | -8.6 | 174 | 0 | 0 | 0 | 0 | 0 | 114.4 | F99 L109 | A49-F99 VanDerWaalsContact O-CE1 3.3Å; A49-F99 WeakPolarHBondContact O-CE1 3.45Å; A49-L109 VanDerWaalsContact O-CD2 3.3Å; A49-L109 WeakPolarHBondContact O-CD2 3.5Å |
| 50 | E | 89.7 | Confident | 92.4 | Very high | 104 Ų | 104 | 46.5 Ų | 46.5 | 49% | 0.486 | 22% | 0.222 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -95.7 | 0.7 | 174.2 | -70 | 170.7 | -151.3 | 0 | 0 | 112.8 | T48 D52 R55 L109 A112 | T48-E50 PolarHBondContact O-N 3.19Å; T48-E50 VanDerWaalsContact O-N 3.09Å; T48-E50 PolarHBondContact OG1-N 3.39Å; E50-D52 PolarHBondContact O-N 3.41Å; E50-R55 WeakPolarHBondContact O-CD 3.49Å; E50-L109 HydrophobicContact CG-CD2 3.73Å; E50-A112 HydrophobicContact CB-CB 4.4Å |
| 51 | C | 92.3 | Very high | 92.2 | Very high | 1 Ų | 1 | 54.4 Ų | 54.4 | 1% | 0.007 | 25% | 0.252 | C | S | . | . | trans | 51.6 | 40.1 | -173.4 | -63 | 0 | 0 | 0 | 0 | 112.7 | E47 T48 I53 R54 R55 F99 V116 | E47-C51 WeakPolarHBondContact OE2-CA 3.23Å; E47-C51 WeakPolarHBondContact OE2-CB 3.28Å; T48-C51 PolarHBondContact O-N 2.7Å; C51-I53 PolarHBondContact O-N 3.18Å; C51-R54 HydrophobicContact CB-CB 4.3Å; C51-R54 WeakPolarHBondContact O-CB 3.05Å; C51-R54 PolarHBondContact O-N 2.95Å; C51-R55 WeakPolarHBondContact O-CG 3.41Å; C51-R55 PolarHBondContact O-N 3.01Å; C51-F99 HydrophobicContact CB-CE2 4.29Å; C51-F99 HydrophobicContact CB-CZ 4.18Å; C51-V116 HydrophobicContact CB-CG2 4Å | ||
| 52 | D | 91.3 | Very high | 92.2 | Very high | 7 Ų | 7 | 53 Ų | 53 | 4% | 0.037 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -54.9 | -47.7 | -177.2 | 58.7 | -29.2 | 0 | 0 | 0 | 113.3 | R8 T48 E50 R54 R55 E56 | R8-D52 IonicContact CZ-OD2 3.84Å; R8-D52 IonicContact NH1-OD2 2.73Å; R8-D52 PolarHBondContact NH1-OD2 3.12Å; R8-D52 IonicContact NH2-OD2 2.68Å; R8-D52 PolarHBondContact NH2-OD2 3.21Å; T48-D52 WeakPolarHBondContact CB-OD1 3.4Å; T48-D52 WeakPolarHBondContact CG2-OD1 3.28Å; T48-D52 VanDerWaalsContact CG2-OD2 3.3Å; T48-D52 WeakPolarHBondContact CG2-OD2 3.44Å; T48-D52 PolarHBondContact N-OD1 3.03Å; T48-D52 PolarHBondContact OG1-OD1 2.93Å; T48-D52 PolarHBondContact OG1-OD2 3.12Å; E50-D52 PolarHBondContact O-N 3.41Å; D52-R54 VanDerWaalsContact C-N 3.34Å; D52-R54 PolarHBondContact O-N 3Å; D52-R55 PolarHBondContact O-N 2.89Å; D52-E56 PolarHBondContact O-N 3.19Å |
| 53 | I | 93.6 | Very high | 92.2 | Very high | 1 Ų | 1 | 47 Ų | 47 | 1% | 0.005 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -56.6 | -49.5 | 178.3 | -50.7 | -57.9 | 0 | 0 | 0 | 111 | I12 L44 E47 C51 R55 E56 L57 | I12-I53 HydrophobicContact CD1-CD1 3.89Å; I12-I53 HydrophobicContact CD1-CG2 4.26Å; L44-I53 HydrophobicContact CD2-CB 4.19Å; L44-I53 HydrophobicContact CD2-CG2 3.83Å; L44-I53 HydrophobicContact CG-CG2 3.98Å; E47-I53 HydrophobicContact CB-CB 4.09Å; E47-I53 HydrophobicContact CB-CG1 3.74Å; C51-I53 PolarHBondContact O-N 3.18Å; I53-R55 VanDerWaalsContact C-N 3.33Å; I53-R55 PolarHBondContact O-N 3.12Å; I53-E56 PolarHBondContact O-N 3.37Å; I53-L57 HydrophobicContact CG2-CD1 4.16Å; I53-L57 WeakPolarHBondContact O-CG 3.21Å; I53-L57 PolarHBondContact O-N 2.94Å |
| 54 | R | 94.9 | Very high | 92.1 | Very high | 3 Ų | 3 | 48.3 Ų | 48.3 | 1% | 0.011 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -62.9 | -37.1 | 180 | -179.3 | -174.1 | -54 | -76.4 | -10.7 | 112.6 | L44 E47 C51 D52 G58 N90 | L44-R54 HydrophobicContact CD2-CB 4.06Å; E47-R54 IonicContact OE1-CZ 2.58Å; E47-R54 IonicContact OE1-NE 2.78Å; E47-R54 PolarHBondContact OE1-NE 3.37Å; E47-R54 IonicContact OE1-NH2 2.66Å; E47-R54 PolarHBondContact OE1-NH2 2.74Å; E47-R54 WeakPolarHBondContact OE2-CB 3.35Å; E47-R54 IonicContact OE2-CZ 3.77Å; E47-R54 IonicContact OE2-NE 3.63Å; E47-R54 PolarHBondContact OE2-NE 3.34Å; E47-R54 IonicContact OE2-NH2 3.27Å; C51-R54 HydrophobicContact CB-CB 4.3Å; C51-R54 WeakPolarHBondContact O-CB 3.05Å; C51-R54 PolarHBondContact O-N 2.95Å; D52-R54 VanDerWaalsContact C-N 3.34Å; D52-R54 PolarHBondContact O-N 3Å; R54-G58 PolarHBondContact O-N 3.4Å; R54-G58 VanDerWaalsContact O-N 3.12Å; R54-N90 PolarHBondContact NH1-O 3.42Å; R54-N90 PolarHBondContact NH1-OD1 3.09Å; R54-N90 PolarHBondContact NH2-OD1 3.12Å |
| 55 | R | 94.2 | Very high | 92.1 | Very high | 40 Ų | 40 | 50.4 Ų | 50.4 | 15% | 0.151 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -68.7 | -37.9 | 175.8 | -73.5 | 170.7 | 56.3 | -99 | -16.8 | 112.5 | E50 C51 D52 I53 Q59 Q115 V116 L119 | E50-R55 WeakPolarHBondContact O-CD 3.49Å; C51-R55 WeakPolarHBondContact O-CG 3.41Å; C51-R55 PolarHBondContact O-N 3.01Å; D52-R55 PolarHBondContact O-N 2.89Å; I53-R55 VanDerWaalsContact C-N 3.33Å; I53-R55 PolarHBondContact O-N 3.12Å; R55-Q59 WeakPolarHBondContact O-CG 3.49Å; R55-Q59 PolarHBondContact O-N 3.06Å; R55-Q59 VanDerWaalsContact O-N 3.07Å; R55-Q59 PolarHBondContact O-NE2 2.87Å; R55-Q115 VanDerWaalsContact CZ-OE1 3.27Å; R55-V116 HydrophobicContact CG-CG2 3.84Å; R55-L119 HydrophobicContact CG-CD1 4.49Å |
| 56 | E | 92.5 | Very high | 92.2 | Very high | 40 Ų | 40 | 43.1 Ų | 43.1 | 19% | 0.187 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -69.3 | -46.2 | 174.6 | -66 | -52.6 | 119.6 | 0 | 0 | 112.1 | Y9 D52 I53 G58 Q59 L60 | Y9-E56 HydrophobicContact CD1-CG 3.79Å; Y9-E56 HydrophobicContact CE1-CG 3.6Å; D52-E56 PolarHBondContact O-N 3.19Å; I53-E56 PolarHBondContact O-N 3.37Å; E56-G58 PolarHBondContact O-N 2.87Å; E56-Q59 VanDerWaalsContact CD-NE2 3.34Å; E56-Q59 PolarHBondContact O-N 3.45Å; E56-Q59 VanDerWaalsContact O-N 3.11Å; E56-Q59 PolarHBondContact OE1-NE2 3.49Å; E56-L60 WeakPolarHBondContact O-CG 3.36Å; E56-L60 PolarHBondContact O-N 2.61Å |
| 57 | L | 95 | Very high | 92.6 | Very high | 0 Ų | 0 | 39.3 Ų | 39.3 | 0% | 0 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -59.8 | -33.7 | 176.9 | -63.9 | 176.5 | 0 | 0 | 0 | 112.3 | I12 L40 L44 I53 R61 I62 L91 | I12-L57 HydrophobicContact CG2-CD2 3.59Å; L40-L57 HydrophobicContact CD1-CD2 4.44Å; L40-L57 HydrophobicContact CD2-CD2 4Å; L44-L57 HydrophobicContact CD1-CD1 4.02Å; L44-L57 HydrophobicContact CD2-CD1 4.18Å; L44-L57 HydrophobicContact CG-CD1 4.1Å; I53-L57 HydrophobicContact CG2-CD1 4.16Å; I53-L57 WeakPolarHBondContact O-CG 3.21Å; I53-L57 PolarHBondContact O-N 2.94Å; L57-R61 PolarHBondContact O-N 3.21Å; L57-I62 HydrophobicContact CB-CD1 4.11Å; L57-I62 HydrophobicContact CB-CG1 4.38Å; L57-I62 HydrophobicContact CD1-CD1 4.48Å; L57-I62 HydrophobicContact CD2-CD1 3.99Å; L57-I62 HydrophobicContact CG-CD1 4.41Å; L57-L91 HydrophobicContact CB-CD2 4.3Å; L57-L91 HydrophobicContact CD1-CD2 4.01Å |
| 58 | G | 93.6 | Very high | 92.8 | Very high | 4 Ų | 4 | 37.2 Ų | 37.2 | 4% | 0.041 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -73.2 | -36.6 | 173.8 | 0 | 0 | 0 | 0 | 0 | 114.5 | R54 E56 L60 R61 Y123 | R54-G58 PolarHBondContact O-N 3.4Å; R54-G58 VanDerWaalsContact O-N 3.12Å; E56-G58 PolarHBondContact O-N 2.87Å; G58-L60 VanDerWaalsContact C-N 3.29Å; G58-L60 PolarHBondContact O-N 2.89Å; G58-R61 WeakPolarHBondContact O-CA 3.16Å; G58-R61 PolarHBondContact O-N 3.33Å; G58-Y123 WeakPolarHBondContact CA-OH 3.43Å |
| 59 | Q | 91.9 | Very high | 92.9 | Very high | 116 Ų | 116 | 35.1 Ų | 35.1 | 54% | 0.542 | 18% | 0.18 | S | C | . | . | H | α-helix | trans | -63.2 | -36.7 | 171.3 | -76.8 | 167.4 | 94.8 | 0 | 0 | 111.8 | R55 E56 R61 | R55-Q59 WeakPolarHBondContact O-CG 3.49Å; R55-Q59 PolarHBondContact O-N 3.06Å; R55-Q59 VanDerWaalsContact O-N 3.07Å; R55-Q59 PolarHBondContact O-NE2 2.87Å; E56-Q59 VanDerWaalsContact CD-NE2 3.34Å; E56-Q59 PolarHBondContact O-N 3.45Å; E56-Q59 VanDerWaalsContact O-N 3.11Å; E56-Q59 PolarHBondContact OE1-NE2 3.49Å; Q59-R61 PolarHBondContact O-N 3.26Å |
| 60 | L | 92.5 | Very high | 93.1 | Very high | 62 Ų | 62 | 32.4 Ų | 32.4 | 33% | 0.325 | 16% | 0.158 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -73.2 | -8.1 | 172.5 | -65.1 | 170.9 | 0 | 0 | 0 | 113.7 | I12 Q13 C16 E56 G58 I62 | I12-L60 HydrophobicContact CG2-CD1 4.4Å; Q13-L60 HydrophobicContact CG-CD1 4.07Å; Q13-L60 HydrophobicContact CG-CD2 4.33Å; C16-L60 HydrophobicContact CB-CD1 4.48Å; E56-L60 WeakPolarHBondContact O-CG 3.36Å; E56-L60 PolarHBondContact O-N 2.61Å; G58-L60 VanDerWaalsContact C-N 3.29Å; G58-L60 PolarHBondContact O-N 2.89Å; L60-I62 HydrophobicContact CB-CG2 3.89Å; L60-I62 PolarHBondContact O-N 3.42Å |
| 61 | R | 92.8 | Very high | 93.2 | Very high | 167 Ų | 167 | 27.5 Ų | 27.5 | 63% | 0.63 | 14% | 0.135 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 56.5 | 23.9 | 177 | -59.5 | -170.7 | 176.1 | -168.5 | -1.1 | 116.4 | L57 G58 Q59 V63 S64 S65 | L57-R61 PolarHBondContact O-N 3.21Å; G58-R61 WeakPolarHBondContact O-CA 3.16Å; G58-R61 PolarHBondContact O-N 3.33Å; Q59-R61 PolarHBondContact O-N 3.26Å; R61-V63 PolarHBondContact O-N 3.03Å; R61-S64 PolarHBondContact O-N 2.9Å; R61-S64 PolarHBondContact O-OG 3.43Å; R61-S65 PolarHBondContact O-N 2.8Å; R61-S65 PolarHBondContact O-OG 3.04Å |
| 62 | I | 94.9 | Very high | 93 | Very high | 1 Ų | 1 | 31.2 Ų | 31.2 | 1% | 0.005 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -53.5 | -25.8 | -169.4 | 66.4 | 164.4 | 0 | 0 | 0 | 115.4 | C16 L40 L57 L60 S65 D66 L67 L87 L91 | C16-I62 HydrophobicContact CB-CG2 4.26Å; L40-I62 HydrophobicContact CD1-CD1 4.4Å; L57-I62 HydrophobicContact CB-CD1 4.11Å; L57-I62 HydrophobicContact CB-CG1 4.38Å; L57-I62 HydrophobicContact CD1-CD1 4.48Å; L57-I62 HydrophobicContact CD2-CD1 3.99Å; L57-I62 HydrophobicContact CG-CD1 4.41Å; L60-I62 HydrophobicContact CB-CG2 3.89Å; L60-I62 PolarHBondContact O-N 3.42Å; I62-S65 WeakPolarHBondContact CA-OG 3.29Å; I62-D66 WeakPolarHBondContact CA-OD2 2.89Å; I62-D66 PolarHBondContact O-N 3.13Å; I62-L67 HydrophobicContact CD1-CD1 3.98Å; I62-L67 HydrophobicContact CD1-CG 4.43Å; I62-L67 HydrophobicContact CG1-CD1 4.14Å; I62-L67 HydrophobicContact CG1-CG 4.46Å; I62-L67 WeakPolarHBondContact O-CG 3.26Å; I62-L67 PolarHBondContact O-N 3.4Å; I62-L87 HydrophobicContact CD1-CD2 4.38Å; I62-L91 HydrophobicContact CD1-CD1 4.11Å; I62-L91 HydrophobicContact CG1-CD1 4.41Å |
| 63 | V | 94.1 | Very high | 92.6 | Very high | 0 Ų | 0 | 34.1 Ų | 34.1 | 0% | 0 | 17% | 0.169 | C | C | . | . | I | π-helix | trans | -58.6 | -47.7 | 174.7 | 177.8 | 0 | 0 | 0 | 0 | 110.9 | R61 L67 I68 L88 L91 Y123 D126 F127 | R61-V63 PolarHBondContact O-N 3.03Å; V63-L67 HydrophobicContact CG2-CD1 4.43Å; V63-I68 HydrophobicContact CG1-CD1 3.85Å; V63-I68 HydrophobicContact CG1-CG1 4.28Å; V63-I68 WeakPolarHBondContact O-CB 2.8Å; V63-I68 VanDerWaalsContact O-CG1 3.28Å; V63-I68 WeakPolarHBondContact O-CG1 3.46Å; V63-I68 PolarHBondContact O-N 3.4Å; V63-L88 HydrophobicContact CG1-CD2 4.01Å; V63-L88 HydrophobicContact CG2-CD2 4.14Å; V63-L91 HydrophobicContact CG2-CD1 4.13Å; V63-Y123 HydrophobicContact CB-CD1 3.87Å; V63-Y123 HydrophobicContact CB-CE1 4.14Å; V63-Y123 HydrophobicContact CB-CG 4.47Å; V63-Y123 HydrophobicContact CG1-CD1 4.22Å; V63-Y123 HydrophobicContact CG1-CG 4.44Å; V63-Y123 HydrophobicContact CG2-CD1 3.68Å; V63-Y123 HydrophobicContact CG2-CD2 4.37Å; V63-Y123 HydrophobicContact CG2-CE1 3.64Å; V63-Y123 HydrophobicContact CG2-CE2 4.34Å; V63-Y123 HydrophobicContact CG2-CG 4.08Å; V63-D126 HydrophobicContact CG1-CB 4.33Å; V63-F127 HydrophobicContact CG1-CD2 4.42Å; V63-F127 HydrophobicContact CG1-CE2 4.05Å |
| 64 | S | 93 | Very high | 91.6 | Very high | 47 Ų | 47 | 34.2 Ų | 34.2 | 33% | 0.329 | 17% | 0.169 | S | C | . | . | I | π-helix | trans | -80.8 | -37.7 | -176.8 | 68.2 | 0 | 0 | 0 | 0 | 113.9 | R61 | R61-S64 PolarHBondContact O-N 2.9Å; R61-S64 PolarHBondContact O-OG 3.43Å |
| 65 | S | 91.9 | Very high | 90.4 | Very high | 47 Ų | 47 | 38.5 Ų | 38.5 | 33% | 0.329 | 20% | 0.2 | S | C | . | . | I | π-helix | trans | -82 | -37.9 | -175.7 | 42.4 | 0 | 0 | 0 | 0 | 113.3 | R61 I62 P69 | R61-S65 PolarHBondContact O-N 2.8Å; R61-S65 PolarHBondContact O-OG 3.04Å; I62-S65 WeakPolarHBondContact CA-OG 3.29Å; S65-P69 WeakPolarHBondContact O-CG 3.33Å |
| 66 | D | 93.8 | Very high | 89.4 | Confident | 23 Ų | 23 | 40.3 Ų | 40.3 | 12% | 0.123 | 23% | 0.232 | C | C | . | . | I | π-helix | trans | -128.6 | -53 | -162.5 | -45.1 | -65.8 | 0 | 0 | 0 | 112.3 | L19 Y27 I62 L70 | L19-D66 HydrophobicContact CB-CB 4.41Å; L19-D66 HydrophobicContact CD1-CB 3.91Å; Y27-D66 HydrophobicContact CE2-CB 4.4Å; I62-D66 WeakPolarHBondContact CA-OD2 2.89Å; I62-D66 PolarHBondContact O-N 3.13Å; D66-L70 WeakPolarHBondContact O-CB 3.49Å; D66-L70 WeakPolarHBondContact O-CD1 3.48Å; D66-L70 WeakPolarHBondContact O-CG 3.12Å; D66-L70 PolarHBondContact O-N 3.22Å |
| 67 | L | 95 | Very high | 89.2 | Confident | 0 Ų | 0 | 41.2 Ų | 41.2 | 0% | 0 | 24% | 0.237 | C | C | . | . | I | π-helix | trans | -71 | -40.8 | -170 | -57.1 | -177.5 | 0 | 0 | 0 | 113.6 | L19 I62 V63 L70 L71 V84 L87 L88 L91 | L19-L67 HydrophobicContact CD1-CD2 4.4Å; I62-L67 HydrophobicContact CD1-CD1 3.98Å; I62-L67 HydrophobicContact CD1-CG 4.43Å; I62-L67 HydrophobicContact CG1-CD1 4.14Å; I62-L67 HydrophobicContact CG1-CG 4.46Å; I62-L67 WeakPolarHBondContact O-CG 3.26Å; I62-L67 PolarHBondContact O-N 3.4Å; V63-L67 HydrophobicContact CG2-CD1 4.43Å; L67-L70 HydrophobicContact CD2-CD1 4.25Å; L67-L70 PolarHBondContact O-N 3.46Å; L67-L71 PolarHBondContact O-N 2.86Å; L67-L71 VanDerWaalsContact O-N 3.13Å; L67-V84 HydrophobicContact CB-CG1 4.08Å; L67-V84 HydrophobicContact CD2-CG1 4.28Å; L67-L87 HydrophobicContact CD1-CD2 3.82Å; L67-L87 HydrophobicContact CD1-CG 3.99Å; L67-L87 HydrophobicContact CD2-CD2 3.82Å; L67-L87 HydrophobicContact CG-CD2 4.49Å; L67-L88 HydrophobicContact CB-CD1 4.38Å; L67-L88 HydrophobicContact CB-CD2 3.86Å; L67-L88 HydrophobicContact CB-CG 4.2Å; L67-L88 HydrophobicContact CD1-CD2 3.68Å; L67-L88 HydrophobicContact CD1-CG 4.08Å; L67-L88 HydrophobicContact CG-CD2 4.45Å; L67-L91 HydrophobicContact CD1-CD1 3.87Å |
| 68 | I | 94 | Very high | 88.8 | Confident | 4 Ų | 4 | 48 Ų | 48 | 2% | 0.021 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -70.2 | -45 | 175.9 | -70.3 | 172.5 | 0 | 0 | 0 | 111.5 | V63 L70 L71 R72 D126 F127 L132 | V63-I68 HydrophobicContact CG1-CD1 3.85Å; V63-I68 HydrophobicContact CG1-CG1 4.28Å; V63-I68 WeakPolarHBondContact O-CB 2.8Å; V63-I68 VanDerWaalsContact O-CG1 3.28Å; V63-I68 WeakPolarHBondContact O-CG1 3.46Å; V63-I68 PolarHBondContact O-N 3.4Å; I68-L70 VanDerWaalsContact C-N 3.35Å; I68-L70 PolarHBondContact O-N 3.43Å; I68-L71 PolarHBondContact O-N 3.1Å; I68-R72 PolarHBondContact O-N 3.43Å; I68-D126 HydrophobicContact CD1-CB 4.12Å; I68-D126 WeakPolarHBondContact CD1-O 3.39Å; I68-F127 HydrophobicContact CD1-CD2 4.4Å; I68-L132 HydrophobicContact CD1-CD2 3.95Å; I68-L132 HydrophobicContact CG1-CD2 3.88Å; I68-L132 HydrophobicContact CG2-CB 4.44Å; I68-L132 HydrophobicContact CG2-CD1 4.44Å; I68-L132 HydrophobicContact CG2-CD2 4.04Å |
| 69 | P | 92 | Very high | 88.7 | Confident | 14 Ų | 14 | 51.2 Ų | 51.2 | 9% | 0.091 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -58.1 | -40.6 | 168.8 | -30.2 | 39.6 | 0 | 0 | 0 | 114.1 | Y27 S65 L71 R72 C73 | Y27-P69 HydrophobicContact CD2-CB 3.57Å; Y27-P69 HydrophobicContact CD2-CG 4.39Å; Y27-P69 HydrophobicContact CE2-CB 4.24Å; Y27-P69 HydrophobicContact CG-CB 3.74Å; S65-P69 WeakPolarHBondContact O-CG 3.33Å; P69-L71 PolarHBondContact O-N 3.41Å; P69-R72 PolarHBondContact O-N 2.83Å; P69-C73 PolarHBondContact O-N 3.46Å; P69-C73 VanDerWaalsContact O-N 3.11Å |
| 70 | L | 92.2 | Very high | 88.8 | Confident | 0 Ų | 0 | 45.9 Ų | 45.9 | 0% | 0 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -56.7 | -49.7 | 175.5 | -85.8 | 166.6 | 0 | 0 | 0 | 111.6 | L19 Y27 I29 I37 D66 L67 I68 R72 C73 C74 L80 V84 | L19-L70 HydrophobicContact CB-CD1 4.37Å; Y27-L70 HydrophobicContact CD1-CD2 4.34Å; Y27-L70 HydrophobicContact CD1-CG 4.42Å; Y27-L70 HydrophobicContact CE1-CD2 3.63Å; Y27-L70 HydrophobicContact CE1-CG 3.68Å; I29-L70 HydrophobicContact CB-CD2 4.4Å; I29-L70 HydrophobicContact CD1-CD2 4.06Å; I29-L70 HydrophobicContact CG1-CD2 3.89Å; I29-L70 HydrophobicContact CG2-CD2 3.92Å; I37-L70 HydrophobicContact CD1-CD1 4.47Å; D66-L70 WeakPolarHBondContact O-CB 3.49Å; D66-L70 WeakPolarHBondContact O-CD1 3.48Å; D66-L70 WeakPolarHBondContact O-CG 3.12Å; D66-L70 PolarHBondContact O-N 3.22Å; L67-L70 HydrophobicContact CD2-CD1 4.25Å; L67-L70 PolarHBondContact O-N 3.46Å; I68-L70 VanDerWaalsContact C-N 3.35Å; I68-L70 PolarHBondContact O-N 3.43Å; L70-R72 PolarHBondContact O-N 2.9Å; L70-C73 PolarHBondContact O-N 2.93Å; L70-C73 VanDerWaalsContact O-N 3.13Å; L70-C74 WeakPolarHBondContact O-CB 3.36Å; L70-C74 PolarHBondContact O-N 3.13Å; L70-C74 PolarHBondContact O-SG 3.21Å; L70-L80 HydrophobicContact CD2-CD2 4.29Å; L70-V84 HydrophobicContact CB-CG2 4.18Å; L70-V84 HydrophobicContact CD1-CG2 4.26Å |
| 71 | L | 91.7 | Very high | 88.8 | Confident | 0 Ų | 0 | 43.5 Ų | 43.5 | 0% | 0 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -57.6 | -35.7 | 179.8 | -74 | -179.3 | 0 | 0 | 0 | 113.2 | L67 I68 P69 F81 V84 I85 L88 L132 | L67-L71 PolarHBondContact O-N 2.86Å; L67-L71 VanDerWaalsContact O-N 3.13Å; I68-L71 PolarHBondContact O-N 3.1Å; P69-L71 PolarHBondContact O-N 3.41Å; L71-F81 HydrophobicContact CB-CE2 4.37Å; L71-F81 HydrophobicContact CD2-CD1 4.14Å; L71-F81 HydrophobicContact CD2-CD2 3.92Å; L71-F81 HydrophobicContact CD2-CE1 3.97Å; L71-F81 HydrophobicContact CD2-CE2 3.76Å; L71-F81 HydrophobicContact CD2-CG 4.11Å; L71-F81 HydrophobicContact CD2-CZ 3.79Å; L71-F81 WeakPolarHBondContact O-CE2 3.33Å; L71-V84 HydrophobicContact CD1-CG1 4.34Å; L71-V84 HydrophobicContact CD2-CB 3.83Å; L71-V84 HydrophobicContact CD2-CG1 3.59Å; L71-V84 HydrophobicContact CG-CB 4.41Å; L71-V84 HydrophobicContact CG-CG1 3.63Å; L71-I85 HydrophobicContact CD1-CD1 3.92Å; L71-I85 HydrophobicContact CD2-CD1 3.78Å; L71-I85 HydrophobicContact CD2-CG1 4.05Å; L71-L88 HydrophobicContact CD1-CD1 3.53Å; L71-L88 HydrophobicContact CG-CD1 4.29Å; L71-L132 HydrophobicContact CB-CD1 4.17Å; L71-L132 HydrophobicContact CD1-CD1 3.57Å |
| 72 | R | 86.9 | Confident | 88.9 | Confident | 80 Ų | 80 | 37.5 Ų | 37.5 | 30% | 0.302 | 23% | 0.227 | S | C | . | . | H | α-helix | trans | -69.1 | -44 | 176.1 | -70.2 | -172.8 | -88.3 | -155.7 | -21.6 | 112.3 | I68 P69 L70 D129 E131 | I68-R72 PolarHBondContact O-N 3.43Å; P69-R72 PolarHBondContact O-N 2.83Å; L70-R72 PolarHBondContact O-N 2.9Å; R72-D129 IonicContact CZ-OD2 2.74Å; R72-D129 IonicContact NH1-OD1 2.73Å; R72-D129 IonicContact NH1-OD2 3.9Å; R72-D129 PolarHBondContact NH1-OD2 2.83Å; R72-D129 IonicContact NH2-OD2 3.49Å; R72-D129 PolarHBondContact NH2-OD2 3.44Å; R72-E131 WeakPolarHBondContact CD-OE2 3.45Å; R72-E131 HydrophobicContact CG-CG 4.32Å; R72-E131 IonicContact CZ-OE2 2.74Å; R72-E131 IonicContact NE-OE2 2.76Å; R72-E131 IonicContact NH1-OE2 3.22Å; R72-E131 PolarHBondContact NH1-OE2 3.18Å |
| 73 | C | 83.5 | Confident | 88.9 | Confident | 67 Ų | 67 | 38.1 Ų | 38.1 | 45% | 0.453 | 23% | 0.23 | S | C | . | . | H | α-helix | trans | -85.4 | -24.3 | -175.2 | -63.4 | 0 | 0 | 0 | 0 | 114.4 | I29 P69 L70 S75 | I29-C73 HydrophobicContact CD1-CB 4.36Å; P69-C73 PolarHBondContact O-N 3.46Å; P69-C73 VanDerWaalsContact O-N 3.11Å; L70-C73 PolarHBondContact O-N 2.93Å; L70-C73 VanDerWaalsContact O-N 3.13Å; C73-S75 PolarHBondContact O-N 3.08Å |
| 74 | C | 73.7 | Confident | 89 | Confident | 3 Ų | 3 | 38.1 Ų | 38.1 | 2% | 0.02 | 23% | 0.23 | C | C | . | . | trans | -93 | 15.6 | -168.9 | 84.6 | 0 | 0 | 0 | 0 | 115.3 | I29 L70 G76 N77 L80 | I29-C74 HydrophobicContact CD1-CB 3.72Å; L70-C74 WeakPolarHBondContact O-CB 3.36Å; L70-C74 PolarHBondContact O-N 3.13Å; L70-C74 PolarHBondContact O-SG 3.21Å; C74-G76 PolarHBondContact O-N 2.94Å; C74-N77 CarbonylContact O-C 3.59Å; C74-N77 PolarHBondContact O-N 3.15Å; C74-L80 HydrophobicContact CB-CD2 3.92Å; C74-L80 HydrophobicContact CB-CG 4.24Å | ||
| 75 | S | 68.5 | Low | 89.1 | Confident | 93 Ų | 93 | 35.9 Ų | 35.9 | 65% | 0.65 | 22% | 0.215 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -54.6 | -28.1 | -177.8 | 58.4 | 0 | 0 | 0 | 0 | 114.6 | C73 | C73-S75 PolarHBondContact O-N 3.08Š|
| 76 | G | 74.3 | Confident | 89.3 | Confident | 79 Ų | 79 | 38.1 Ų | 38.1 | 81% | 0.814 | 22% | 0.216 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -75.4 | -20.8 | 174.1 | 0 | 0 | 0 | 0 | 0 | 115.4 | C74 | C74-G76 PolarHBondContact O-N 2.94Š|
| 77 | N | 87.7 | Confident | 89.4 | Confident | 58 Ų | 58 | 37 Ų | 37 | 31% | 0.31 | 21% | 0.21 | S | C | . | . | trans | -111.3 | 95.2 | 178.4 | -177.2 | -8.5 | 0 | 0 | 0 | 110.9 | E34 C74 T79 L80 F81 | E34-N77 PolarHBondContact OE1-ND2 3.03Å; E34-N77 PolarHBondContact OE1-OD1 3.14Å; C74-N77 CarbonylContact O-C 3.59Å; C74-N77 PolarHBondContact O-N 3.15Å; N77-T79 PolarHBondContact O-N 2.94Å; N77-T79 PolarHBondContact OD1-N 3.07Å; N77-T79 PolarHBondContact OD1-OG1 2.7Å; N77-L80 HydrophobicContact CB-CB 4.06Å; N77-L80 WeakPolarHBondContact ND2-CB 3.19Å; N77-L80 PolarHBondContact O-N 3.44Å; N77-L80 PolarHBondContact OD1-N 2.71Å; N77-L80 VanDerWaalsContact OD1-N 3.11Å; N77-F81 WeakPolarHBondContact O-CB 3.4Å; N77-F81 PolarHBondContact O-N 3.49Å | ||
| 78 | K | 87.2 | Confident | 89.5 | Confident | 142 Ų | 142 | 37 Ų | 37 | 62% | 0.617 | 21% | 0.21 | S | C | * | . | H | α-helix | trans | -56.5 | -43.1 | 177.2 | -64.8 | -171.3 | 175.2 | -169.4 | 0 | 113.4 | L80 F81 E82 | K78-L80 PolarHBondContact O-N 3.17Å; K78-F81 PolarHBondContact O-N 3.47Å; K78-E82 PolarHBondContact O-N 3Å |
| 79 | T | 91.3 | Very high | 89.6 | Confident | 73 Ų | 73 | 38.3 Ų | 38.3 | 45% | 0.448 | 22% | 0.217 | S | C | . | . | H | α-helix | trans | -68.6 | -36.3 | -176.7 | 42 | 0 | 0 | 0 | 0 | 112.1 | E34 N77 L83 | E34-T79 PolarHBondContact OE1-OG1 3.13Å; N77-T79 PolarHBondContact O-N 2.94Å; N77-T79 PolarHBondContact OD1-N 3.07Å; N77-T79 PolarHBondContact OD1-OG1 2.7Å; T79-L83 WeakPolarHBondContact O-CB 3.49Å; T79-L83 VanDerWaalsContact O-CD1 3.3Å; T79-L83 WeakPolarHBondContact O-CD1 3.18Å; T79-L83 WeakPolarHBondContact O-CG 3.44Å; T79-L83 PolarHBondContact O-N 2.62Å |
| 80 | L | 93.3 | Very high | 89.8 | Confident | 4 Ų | 4 | 39.2 Ų | 39.2 | 2% | 0.021 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -67.4 | -46.4 | 170.7 | -178.3 | 57.5 | 0 | 0 | 0 | 111.5 | I29 A33 E34 I37 L70 C74 N77 K78 E82 L83 V84 | I29-L80 HydrophobicContact CD1-CD2 4.17Å; I29-L80 HydrophobicContact CG2-CD2 3.67Å; A33-L80 HydrophobicContact CB-CD1 4.18Å; E34-L80 HydrophobicContact CG-CB 3.96Å; E34-L80 HydrophobicContact CG-CD1 3.97Å; E34-L80 HydrophobicContact CG-CG 4.47Å; E34-L80 PolarHBondContact OE1-N 2.92Å; I37-L80 HydrophobicContact CD1-CD1 3.76Å; L70-L80 HydrophobicContact CD2-CD2 4.29Å; C74-L80 HydrophobicContact CB-CD2 3.92Å; C74-L80 HydrophobicContact CB-CG 4.24Å; N77-L80 HydrophobicContact CB-CB 4.06Å; N77-L80 WeakPolarHBondContact ND2-CB 3.19Å; N77-L80 PolarHBondContact O-N 3.44Å; N77-L80 PolarHBondContact OD1-N 2.71Å; N77-L80 VanDerWaalsContact OD1-N 3.11Å; K78-L80 PolarHBondContact O-N 3.17Å; L80-E82 PolarHBondContact O-N 3.17Å; L80-L83 WeakPolarHBondContact O-CB 3.28Å; L80-L83 PolarHBondContact O-N 3.16Å; L80-L83 VanDerWaalsContact O-N 3.13Å; L80-V84 HydrophobicContact CD1-CG2 4.3Å; L80-V84 WeakPolarHBondContact O-CG2 3.43Å; L80-V84 PolarHBondContact O-N 2.67Å |
| 81 | F | 93.5 | Very high | 90 | Very high | 12 Ų | 12 | 39.3 Ų | 39.3 | 5% | 0.053 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -57 | -49.8 | 179.4 | -166 | -75.1 | 0 | 0 | 0 | 111.7 | L71 N77 K78 L83 V84 I85 V135 L136 L139 | L71-F81 HydrophobicContact CB-CE2 4.37Å; L71-F81 HydrophobicContact CD2-CD1 4.14Å; L71-F81 HydrophobicContact CD2-CD2 3.92Å; L71-F81 HydrophobicContact CD2-CE1 3.97Å; L71-F81 HydrophobicContact CD2-CE2 3.76Å; L71-F81 HydrophobicContact CD2-CG 4.11Å; L71-F81 HydrophobicContact CD2-CZ 3.79Å; L71-F81 WeakPolarHBondContact O-CE2 3.33Å; N77-F81 WeakPolarHBondContact O-CB 3.4Å; N77-F81 PolarHBondContact O-N 3.49Å; K78-F81 PolarHBondContact O-N 3.47Å; F81-L83 VanDerWaalsContact C-N 3.29Å; F81-L83 PolarHBondContact O-N 2.9Å; F81-V84 PolarHBondContact O-N 3.13Å; F81-I85 HydrophobicContact CD1-CD1 4.49Å; F81-I85 HydrophobicContact CD1-CG1 3.78Å; F81-I85 HydrophobicContact CE1-CD1 3.85Å; F81-I85 HydrophobicContact CE1-CG1 3.59Å; F81-I85 HydrophobicContact CZ-CD1 4.46Å; F81-I85 WeakPolarHBondContact O-CG1 3.34Å; F81-I85 PolarHBondContact O-N 3.39Å; F81-V135 HydrophobicContact CE2-CG1 3.88Å; F81-V135 HydrophobicContact CZ-CG1 4.14Å; F81-L136 HydrophobicContact CE1-CD2 4.47Å; F81-L136 HydrophobicContact CZ-CD2 4.18Å; F81-L139 HydrophobicContact CD1-CD2 3.86Å; F81-L139 HydrophobicContact CE1-CD2 3.21Å; F81-L139 HydrophobicContact CE2-CD2 4.49Å; F81-L139 HydrophobicContact CZ-CD2 3.59Å |
| 82 | E | 93.7 | Very high | 90.2 | Very high | 41 Ų | 41 | 39.3 Ų | 39.3 | 19% | 0.192 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -58.9 | -38.2 | 176.1 | -78.3 | -171.9 | -124.2 | 0 | 0 | 113.3 | K78 L80 R86 L158 R161 | K78-E82 PolarHBondContact O-N 3Å; L80-E82 PolarHBondContact O-N 3.17Å; E82-R86 WeakPolarHBondContact O-CB 3.31Å; E82-R86 VanDerWaalsContact O-CG 3.25Å; E82-R86 WeakPolarHBondContact O-CG 3.47Å; E82-R86 PolarHBondContact O-N 3.25Å; E82-L158 HydrophobicContact CG-CD1 4.08Å; E82-L158 HydrophobicContact CG-CD2 4.17Å; E82-R161 IonicContact OE2-NH1 2.68Å; E82-R161 PolarHBondContact OE2-NH1 2.89Å; E82-R161 VanDerWaalsContact OE2-NH1 3.14Å |
| 83 | L | 95.3 | Very high | 90.6 | Very high | 13 Ų | 13 | 38.6 Ų | 38.6 | 7% | 0.068 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -67.9 | -40.7 | 177.3 | -75.6 | 168.3 | 0 | 0 | 0 | 111.7 | E34 I37 R38 L41 T79 L80 F81 R86 L87 | E34-L83 HydrophobicContact CB-CD1 4.01Å; E34-L83 HydrophobicContact CG-CD1 4.42Å; I37-L83 HydrophobicContact CB-CB 4.35Å; I37-L83 HydrophobicContact CG2-CB 3.76Å; I37-L83 WeakPolarHBondContact CG2-O 3.48Å; R38-L83 HydrophobicContact CG-CD1 3.86Å; R38-L83 HydrophobicContact CG-CD2 3.74Å; R38-L83 HydrophobicContact CG-CG 4.49Å; L41-L83 HydrophobicContact CD1-CD2 3.98Å; T79-L83 WeakPolarHBondContact O-CB 3.49Å; T79-L83 VanDerWaalsContact O-CD1 3.3Å; T79-L83 WeakPolarHBondContact O-CD1 3.18Å; T79-L83 WeakPolarHBondContact O-CG 3.44Å; T79-L83 PolarHBondContact O-N 2.62Å; L80-L83 WeakPolarHBondContact O-CB 3.28Å; L80-L83 PolarHBondContact O-N 3.16Å; L80-L83 VanDerWaalsContact O-N 3.13Å; F81-L83 VanDerWaalsContact C-N 3.29Å; F81-L83 PolarHBondContact O-N 2.9Å; L83-R86 PolarHBondContact O-N 2.94Å; L83-L87 WeakPolarHBondContact O-CB 3.31Å; L83-L87 PolarHBondContact O-N 3.35Å |
| 84 | V | 96 | Very high | 91 | Very high | 0 Ų | 0 | 36.3 Ų | 36.3 | 0% | 0 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -63.2 | -45.5 | 174.3 | 179.1 | 0 | 0 | 0 | 0 | 110.7 | I37 L67 L70 L71 L80 F81 R86 L87 L88 | I37-V84 HydrophobicContact CD1-CG2 3.51Å; L67-V84 HydrophobicContact CB-CG1 4.08Å; L67-V84 HydrophobicContact CD2-CG1 4.28Å; L70-V84 HydrophobicContact CB-CG2 4.18Å; L70-V84 HydrophobicContact CD1-CG2 4.26Å; L71-V84 HydrophobicContact CD1-CG1 4.34Å; L71-V84 HydrophobicContact CD2-CB 3.83Å; L71-V84 HydrophobicContact CD2-CG1 3.59Å; L71-V84 HydrophobicContact CG-CB 4.41Å; L71-V84 HydrophobicContact CG-CG1 3.63Å; L80-V84 HydrophobicContact CD1-CG2 4.3Å; L80-V84 WeakPolarHBondContact O-CG2 3.43Å; L80-V84 PolarHBondContact O-N 2.67Å; F81-V84 PolarHBondContact O-N 3.13Å; V84-R86 PolarHBondContact O-N 3.42Å; V84-L87 PolarHBondContact O-N 2.91Å; V84-L88 HydrophobicContact CG1-CD1 3.87Å; V84-L88 HydrophobicContact CG1-CG 4.35Å; V84-L88 WeakPolarHBondContact O-CG 3.44Å; V84-L88 PolarHBondContact O-N 3.33Å |
| 85 | I | 96 | Very high | 91.9 | Very high | 0 Ų | 0 | 36.4 Ų | 36.4 | 0% | 0 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -58.8 | -47.7 | 174.7 | -64.2 | -65.3 | 0 | 0 | 0 | 111 | L71 F81 L87 L88 M89 L136 R161 I162 L165 | L71-I85 HydrophobicContact CD1-CD1 3.92Å; L71-I85 HydrophobicContact CD2-CD1 3.78Å; L71-I85 HydrophobicContact CD2-CG1 4.05Å; F81-I85 HydrophobicContact CD1-CD1 4.49Å; F81-I85 HydrophobicContact CD1-CG1 3.78Å; F81-I85 HydrophobicContact CE1-CD1 3.85Å; F81-I85 HydrophobicContact CE1-CG1 3.59Å; F81-I85 HydrophobicContact CZ-CD1 4.46Å; F81-I85 WeakPolarHBondContact O-CG1 3.34Å; F81-I85 PolarHBondContact O-N 3.39Å; I85-L87 VanDerWaalsContact C-N 3.28Å; I85-L87 PolarHBondContact O-N 3.17Å; I85-L88 PolarHBondContact O-N 3.39Å; I85-M89 HydrophobicContact CG2-CG 4.24Å; I85-M89 HydrophobicContact CG2-SD 4.04Å; I85-M89 WeakPolarHBondContact O-CB 3.36Å; I85-M89 VanDerWaalsContact O-CG 3.24Å; I85-M89 WeakPolarHBondContact O-CG 3.43Å; I85-M89 PolarHBondContact O-N 3.49Å; I85-L136 HydrophobicContact CD1-CD2 3.67Å; I85-R161 HydrophobicContact CG2-CB 4Å; I85-I162 HydrophobicContact CD1-CG1 4.41Å; I85-I162 HydrophobicContact CG2-CG1 4.34Å; I85-L165 HydrophobicContact CD1-CD2 3.96Å |
| 86 | R | 96.1 | Very high | 92.9 | Very high | 95 Ų | 95 | 34.5 Ų | 34.5 | 36% | 0.358 | 19% | 0.188 | S | C | . | . | H | α-helix | trans | -58.6 | -37.5 | 176.8 | -74.6 | 171.4 | 77.4 | 159.2 | 9.5 | 112.5 | L41 E82 L83 V84 N90 D1103 | L41-R86 HydrophobicContact CD1-CB 4.14Å; L41-R86 HydrophobicContact CD2-CB 4.45Å; E82-R86 WeakPolarHBondContact O-CB 3.31Å; E82-R86 VanDerWaalsContact O-CG 3.25Å; E82-R86 WeakPolarHBondContact O-CG 3.47Å; E82-R86 PolarHBondContact O-N 3.25Å; L83-R86 PolarHBondContact O-N 2.94Å; V84-R86 PolarHBondContact O-N 3.42Å; R86-N90 PolarHBondContact O-N 3.32Å; R86-D1103 IonicContact NH2-OD2 2.88Å |
| 87 | L | 96.5 | Very high | 93.6 | Very high | 0 Ų | 0 | 34.2 Ų | 34.2 | 0% | 0 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -71.1 | -47.1 | 177.5 | -179.2 | 57.3 | 0 | 0 | 0 | 111.5 | I37 L40 L41 L44 I62 L67 L83 V84 I85 M89 N90 L91 | I37-L87 HydrophobicContact CG1-CD2 4.35Å; I37-L87 HydrophobicContact CG2-CB 4.06Å; I37-L87 HydrophobicContact CG2-CD2 4Å; L40-L87 HydrophobicContact CB-CD1 4.46Å; L40-L87 HydrophobicContact CB-CD2 4.46Å; L40-L87 HydrophobicContact CD1-CD2 4.12Å; L41-L87 HydrophobicContact CD2-CB 4.22Å; L41-L87 HydrophobicContact CD2-CD1 4.19Å; L41-L87 HydrophobicContact CG-CB 4.44Å; L41-L87 HydrophobicContact CG-CD1 4.45Å; L44-L87 HydrophobicContact CD1-CD1 3.43Å; L44-L87 VanDerWaalsContact CD1-CD1 3.43Å; I62-L87 HydrophobicContact CD1-CD2 4.38Å; L67-L87 HydrophobicContact CD1-CD2 3.82Å; L67-L87 HydrophobicContact CD1-CG 3.99Å; L67-L87 HydrophobicContact CD2-CD2 3.82Å; L67-L87 HydrophobicContact CG-CD2 4.49Å; L83-L87 WeakPolarHBondContact O-CB 3.31Å; L83-L87 PolarHBondContact O-N 3.35Å; V84-L87 PolarHBondContact O-N 2.91Å; I85-L87 VanDerWaalsContact C-N 3.28Å; I85-L87 PolarHBondContact O-N 3.17Å; L87-M89 PolarHBondContact O-N 3.06Å; L87-N90 PolarHBondContact O-N 3.05Å; L87-L91 HydrophobicContact CD1-CD1 4.03Å; L87-L91 HydrophobicContact CD1-CG 4.14Å; L87-L91 HydrophobicContact CG-CD1 3.95Å; L87-L91 HydrophobicContact CG-CG 4.47Å; L87-L91 WeakPolarHBondContact O-CG 3.35Å; L87-L91 PolarHBondContact O-N 3.11Å |
| 88 | L | 97 | Very high | 93.7 | Very high | 0 Ų | 0 | 32.6 Ų | 32.6 | 0% | 0 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -61.1 | -42.7 | 176.2 | -72.8 | 170 | 0 | 0 | 0 | 112.2 | V63 L67 L71 V84 I85 N90 L91 T92 F127 L165 | V63-L88 HydrophobicContact CG1-CD2 4.01Å; V63-L88 HydrophobicContact CG2-CD2 4.14Å; L67-L88 HydrophobicContact CB-CD1 4.38Å; L67-L88 HydrophobicContact CB-CD2 3.86Å; L67-L88 HydrophobicContact CB-CG 4.2Å; L67-L88 HydrophobicContact CD1-CD2 3.68Å; L67-L88 HydrophobicContact CD1-CG 4.08Å; L67-L88 HydrophobicContact CG-CD2 4.45Å; L71-L88 HydrophobicContact CD1-CD1 3.53Å; L71-L88 HydrophobicContact CG-CD1 4.29Å; V84-L88 HydrophobicContact CG1-CD1 3.87Å; V84-L88 HydrophobicContact CG1-CG 4.35Å; V84-L88 WeakPolarHBondContact O-CG 3.44Å; V84-L88 PolarHBondContact O-N 3.33Å; I85-L88 PolarHBondContact O-N 3.39Å; L88-N90 VanDerWaalsContact C-N 3.29Å; L88-N90 PolarHBondContact O-N 2.84Å; L88-L91 PolarHBondContact O-N 3.47Å; L88-T92 WeakPolarHBondContact O-CB 3.37Å; L88-T92 VanDerWaalsContact O-CG2 3.3Å; L88-T92 WeakPolarHBondContact O-CG2 3.4Å; L88-T92 PolarHBondContact O-N 2.72Å; L88-T92 PolarHBondContact O-OG1 3.46Å; L88-F127 HydrophobicContact CD1-CZ 4.33Å; L88-F127 HydrophobicContact CD2-CE2 4.27Å; L88-F127 HydrophobicContact CD2-CZ 4.17Å; L88-L165 HydrophobicContact CB-CD1 3.86Å; L88-L165 HydrophobicContact CB-CD2 4.12Å; L88-L165 HydrophobicContact CD1-CD2 4.43Å |
| 89 | M | 95.8 | Very high | 93.9 | Very high | 31 Ų | 31 | 26.7 Ų | 26.7 | 15% | 0.153 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -57.3 | -41.3 | 173.7 | -75.1 | 172 | 73.1 | 0 | 0 | 112.5 | I85 L87 T92 Q93 R161 I164 L165 N168 | I85-M89 HydrophobicContact CG2-CG 4.24Å; I85-M89 HydrophobicContact CG2-SD 4.04Å; I85-M89 WeakPolarHBondContact O-CB 3.36Å; I85-M89 VanDerWaalsContact O-CG 3.24Å; I85-M89 WeakPolarHBondContact O-CG 3.43Å; I85-M89 PolarHBondContact O-N 3.49Å; L87-M89 PolarHBondContact O-N 3.06Å; M89-T92 PolarHBondContact O-OG1 2.93Å; M89-Q93 WeakPolarHBondContact O-CG 3.3Å; M89-R161 HydrophobicContact CE-CB 4Å; M89-R161 HydrophobicContact CE-CG 3.82Å; M89-R161 VanDerWaalsContact SD-CA 3.57Å; M89-R161 HydrophobicContact SD-CB 3.36Å; M89-R161 WeakPolarHBondContact SD-CB 3.46Å; M89-R161 HydrophobicContact SD-CG 3.5Å; M89-R161 WeakPolarHBondContact SD-CG 3.36Å; M89-R161 VanDerWaalsContact SD-O 3.41Å; M89-I164 HydrophobicContact CE-CB 3.92Å; M89-I164 HydrophobicContact CE-CD1 4.16Å; M89-I164 HydrophobicContact CE-CG2 3.67Å; M89-L165 HydrophobicContact CG-CB 4Å; M89-N168 PolarHBondContact O-ND2 2.85Å |
| 90 | N | 95.6 | Very high | 93.6 | Very high | 33 Ų | 33 | 33.1 Ų | 33.1 | 18% | 0.176 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -68.8 | -49.5 | 177.6 | -169 | -58.3 | 0 | 0 | 0 | 110.4 | L44 R54 R86 L87 L88 T92 Q93 | L44-N90 HydrophobicContact CD1-CB 4.41Å; R54-N90 PolarHBondContact NH1-O 3.42Å; R54-N90 PolarHBondContact NH1-OD1 3.09Å; R54-N90 PolarHBondContact NH2-OD1 3.12Å; R86-N90 PolarHBondContact O-N 3.32Å; L87-N90 PolarHBondContact O-N 3.05Å; L88-N90 VanDerWaalsContact C-N 3.29Å; L88-N90 PolarHBondContact O-N 2.84Å; N90-T92 VanDerWaalsContact C-N 3.27Å; N90-T92 PolarHBondContact O-N 3.34Å; N90-Q93 WeakPolarHBondContact O-CB 3.25Å; N90-Q93 WeakPolarHBondContact O-CG 3.17Å; N90-Q93 PolarHBondContact O-N 3.23Å |
| 91 | L | 96.5 | Very high | 93.1 | Very high | 1 Ų | 1 | 38.3 Ų | 38.3 | 1% | 0.005 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -61.8 | -32.6 | -178.1 | -70.4 | 173.3 | 0 | 0 | 0 | 113.3 | L44 L57 I62 V63 L67 L87 L88 L120 Y123 | L44-L91 HydrophobicContact CD1-CD2 4.03Å; L44-L91 HydrophobicContact CD1-CG 4.39Å; L44-L91 HydrophobicContact CD2-CD2 4.34Å; L57-L91 HydrophobicContact CB-CD2 4.3Å; L57-L91 HydrophobicContact CD1-CD2 4.01Å; I62-L91 HydrophobicContact CD1-CD1 4.11Å; I62-L91 HydrophobicContact CG1-CD1 4.41Å; V63-L91 HydrophobicContact CG2-CD1 4.13Å; L67-L91 HydrophobicContact CD1-CD1 3.87Å; L87-L91 HydrophobicContact CD1-CD1 4.03Å; L87-L91 HydrophobicContact CD1-CG 4.14Å; L87-L91 HydrophobicContact CG-CD1 3.95Å; L87-L91 HydrophobicContact CG-CG 4.47Å; L87-L91 WeakPolarHBondContact O-CG 3.35Å; L87-L91 PolarHBondContact O-N 3.11Å; L88-L91 PolarHBondContact O-N 3.47Å; L91-L120 WeakPolarHBondContact O-CD2 3.43Å; L91-Y123 HydrophobicContact CB-CE2 4.32Å |
| 92 | T | 96.5 | Very high | 92.5 | Very high | 0 Ų | 0 | 41.3 Ų | 41.3 | 0% | 0 | 19% | 0.192 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -85.7 | 0.3 | 179.2 | 55.9 | 0 | 0 | 0 | 0 | 114.8 | L88 M89 N90 F127 L165 N168 V169 | L88-T92 WeakPolarHBondContact O-CB 3.37Å; L88-T92 VanDerWaalsContact O-CG2 3.3Å; L88-T92 WeakPolarHBondContact O-CG2 3.4Å; L88-T92 PolarHBondContact O-N 2.72Å; L88-T92 PolarHBondContact O-OG1 3.46Å; M89-T92 PolarHBondContact O-OG1 2.93Å; N90-T92 VanDerWaalsContact C-N 3.27Å; N90-T92 PolarHBondContact O-N 3.34Å; T92-F127 HydrophobicContact CG2-CE2 4.03Å; T92-L165 HydrophobicContact CG2-CD1 4.05Å; T92-N168 WeakPolarHBondContact OG1-CB 3.37Å; T92-N168 PolarHBondContact OG1-ND2 3.12Å; T92-V169 HydrophobicContact CG2-CG2 4.14Å |
| 93 | Q | 94 | Very high | 92 | Very high | 66 Ų | 66 | 41.6 Ų | 41.6 | 31% | 0.308 | 20% | 0.197 | S | C | . | . | S | Bend | trans | -55.4 | 136.4 | 177.6 | -74.7 | -179.4 | -1.5 | 0 | 0 | 111.3 | M89 N90 A95 | M89-Q93 WeakPolarHBondContact O-CG 3.3Å; N90-Q93 WeakPolarHBondContact O-CB 3.25Å; N90-Q93 WeakPolarHBondContact O-CG 3.17Å; N90-Q93 PolarHBondContact O-N 3.23Å; Q93-A95 PolarHBondContact O-N 3.34Å |
| 94 | P | 92.8 | Very high | 91.7 | Very high | 19 Ų | 19 | 42.1 Ų | 42.1 | 12% | 0.123 | 20% | 0.201 | C | C | . | . | trans | -56.4 | 133.5 | 178.7 | -25.6 | 34.2 | 0 | 0 | 0 | 111.7 | I96 V97 | P94-I96 HydrophobicContact CB-CG2 4.36Å; P94-I96 PolarHBondContact O-N 2.74Å; P94-V97 HydrophobicContact CB-CG2 4.29Å; P94-V97 WeakPolarHBondContact O-CB 3.23Å; P94-V97 PolarHBondContact O-N 2.95Å | ||
| 95 | A | 92.8 | Very high | 91.1 | Very high | 4 Ų | 4 | 50 Ų | 50 | 3% | 0.033 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -51 | -37.6 | -173.8 | 0 | 0 | 0 | 0 | 0 | 113.4 | Q93 V97 C98 F99 Y113 V116 D117 L120 | Q93-A95 PolarHBondContact O-N 3.34Å; A95-V97 VanDerWaalsContact C-N 3.26Å; A95-V97 PolarHBondContact O-N 3.24Å; A95-C98 WeakPolarHBondContact O-CB 3.39Å; A95-C98 PolarHBondContact O-N 3.44Å; A95-F99 WeakPolarHBondContact O-CD2 2.98Å; A95-F99 PolarHBondContact O-N 2.91Å; A95-F99 VanDerWaalsContact O-N 3.08Å; A95-Y113 HydrophobicContact CB-CD2 4.38Å; A95-Y113 HydrophobicContact CB-CE2 3.99Å; A95-V116 HydrophobicContact CB-CB 4.43Å; A95-V116 HydrophobicContact CB-CG1 3.93Å; A95-D117 HydrophobicContact CB-CB 4.41Å; A95-L120 HydrophobicContact CB-CD1 4.02Å |
| 96 | I | 88.3 | Confident | 90.8 | Very high | 54 Ų | 54 | 53.8 Ų | 53.8 | 28% | 0.277 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -61.1 | -29.8 | 177.2 | -163.1 | 164.8 | 0 | 0 | 0 | 113.6 | P94 Q101 V103 Y113 | P94-I96 HydrophobicContact CB-CG2 4.36Å; P94-I96 PolarHBondContact O-N 2.74Å; I96-Q101 WeakPolarHBondContact O-CA 3.31Å; I96-Q101 PolarHBondContact O-N 3.04Å; I96-V103 HydrophobicContact CD1-CG2 4.38Å; I96-Y113 HydrophobicContact CB-CE2 4.47Å |
| 97 | V | 89 | Confident | 90.5 | Very high | 73 Ų | 73 | 58.2 Ų | 58.2 | 44% | 0.442 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -70.4 | -46 | 174.6 | 180 | 0 | 0 | 0 | 0 | 110.1 | P94 A95 F99 R100 | P94-V97 HydrophobicContact CB-CG2 4.29Å; P94-V97 WeakPolarHBondContact O-CB 3.23Å; P94-V97 PolarHBondContact O-N 2.95Å; A95-V97 VanDerWaalsContact C-N 3.26Å; A95-V97 PolarHBondContact O-N 3.24Å; V97-F99 VanDerWaalsContact C-N 3.26Å; V97-F99 PolarHBondContact O-N 3.47Å; V97-R100 PolarHBondContact O-N 2.98Å |
| 98 | C | 90.9 | Very high | 90.2 | Very high | 23 Ų | 23 | 62.2 Ų | 62.2 | 16% | 0.155 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -56.9 | -40.6 | 177.1 | -49.7 | 0 | 0 | 0 | 0 | 111.6 | A95 R100 | A95-C98 WeakPolarHBondContact O-CB 3.39Å; A95-C98 PolarHBondContact O-N 3.44Å; C98-R100 VanDerWaalsContact C-N 3.28Å; C98-R100 PolarHBondContact O-N 3.47Å |
| 99 | F | 91.5 | Very high | 90 | Very high | 19 Ų | 19 | 64.9 Ų | 64.9 | 8% | 0.083 | 31% | 0.308 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -88.2 | 29.1 | 176.4 | -70.1 | -89.2 | 0 | 0 | 0 | 114.3 | A49 C51 A95 V97 P104 L109 A112 Y113 V116 | A49-F99 VanDerWaalsContact O-CE1 3.3Å; A49-F99 WeakPolarHBondContact O-CE1 3.45Å; C51-F99 HydrophobicContact CB-CE2 4.29Å; C51-F99 HydrophobicContact CB-CZ 4.18Å; A95-F99 WeakPolarHBondContact O-CD2 2.98Å; A95-F99 PolarHBondContact O-N 2.91Å; A95-F99 VanDerWaalsContact O-N 3.08Å; V97-F99 VanDerWaalsContact C-N 3.26Å; V97-F99 PolarHBondContact O-N 3.47Å; F99-P104 HydrophobicContact CB-CG 4.11Å; F99-P104 HydrophobicContact CD1-CG 3.62Å; F99-P104 HydrophobicContact CE1-CG 4.34Å; F99-P104 HydrophobicContact CG-CG 4.02Å; F99-L109 HydrophobicContact CE1-CD2 4.47Å; F99-A112 HydrophobicContact CE1-CB 4.3Å; F99-A112 HydrophobicContact CZ-CB 3.96Å; F99-Y113 HydrophobicContact CB-CD2 4.19Å; F99-Y113 AromaticContact CD2-CD2 3.68Å; F99-Y113 HydrophobicContact CD2-CD2 3.68Å; F99-Y113 HydrophobicContact CD2-CG 4.39Å; F99-Y113 HydrophobicContact CE2-CD2 4.32Å; F99-Y113 AromaticContact CG-CD2 3.99Å; F99-Y113 HydrophobicContact CG-CD2 3.99Å; F99-V116 HydrophobicContact CE2-CB 4.33Å; F99-V116 HydrophobicContact CE2-CG2 4.09Å |
| 100 | R | 85.4 | Confident | 89.8 | Confident | 207 Ų | 207 | 68.4 Ų | 68.4 | 78% | 0.781 | 32% | 0.32 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 62.4 | 40.3 | 171.8 | -49.7 | 179.1 | -175.8 | 168 | 2.5 | 115 | V97 C98 E102 | V97-R100 PolarHBondContact O-N 2.98Å; C98-R100 VanDerWaalsContact C-N 3.28Å; C98-R100 PolarHBondContact O-N 3.47Å; R100-E102 PolarHBondContact O-N 2.89Å; R100-E102 VanDerWaalsContact O-N 3.09Å |
| 101 | Q | 81.8 | Confident | 89.8 | Confident | 114 Ų | 114 | 69.5 Ų | 69.5 | 53% | 0.533 | 33% | 0.33 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 65.7 | -4.2 | 177.7 | -56 | -176.1 | -2.5 | 0 | 0 | 117 | I96 Q458 | I96-Q101 WeakPolarHBondContact O-CA 3.31Å; I96-Q101 PolarHBondContact O-N 3.04Å; Q101-Q458 PolarHBondContact O-NE2 3.47Å |
| 102 | E | 80.9 | Confident | 89.6 | Confident | 75 Ų | 75 | 69.7 Ų | 69.7 | 35% | 0.35 | 33% | 0.332 | S | S | . | . | S | Bend | trans | -110.3 | 145.3 | 172.9 | -68.5 | -160.1 | -172.4 | 0 | 0 | 111.5 | R100 P104 K105 R459 | R100-E102 PolarHBondContact O-N 2.89Å; R100-E102 VanDerWaalsContact O-N 3.09Å; E102-P104 WeakPolarHBondContact O-CD 3.44Å; E102-K105 IonicContact OE2-NZ 3.52Å; E102-K105 PolarHBondContact OE2-NZ 3.25Å; E102-R459 IonicContact OE1-NH2 3.15Å |
| 103 | V | 83.4 | Confident | 89.6 | Confident | 47 Ų | 47 | 71.4 Ų | 71.4 | 29% | 0.285 | 34% | 0.338 | S | S | . | . | trans | -75.1 | 126.4 | 172.1 | -179.6 | 0 | 0 | 0 | 0 | 108.9 | I96 K105 Y110 Q458 | I96-V103 HydrophobicContact CD1-CG2 4.38Å; V103-K105 PolarHBondContact O-N 2.94Å; V103-Y110 HydrophobicContact CG1-CD2 4.02Å; V103-Y110 HydrophobicContact CG1-CE2 3.89Å; V103-Q458 VanDerWaalsContact N-OE1 3.08Å | ||
| 104 | P | 89 | Confident | 89.5 | Confident | 24 Ų | 24 | 71.3 Ų | 71.3 | 16% | 0.156 | 34% | 0.34 | C | S | . | . | trans | -57.1 | 136.7 | -178.7 | -27.9 | 36.3 | 0 | 0 | 0 | 113.4 | F99 E102 L109 Y113 | F99-P104 HydrophobicContact CB-CG 4.11Å; F99-P104 HydrophobicContact CD1-CG 3.62Å; F99-P104 HydrophobicContact CE1-CG 4.34Å; F99-P104 HydrophobicContact CG-CG 4.02Å; E102-P104 WeakPolarHBondContact O-CD 3.44Å; P104-L109 HydrophobicContact CB-CB 3.7Å; P104-L109 HydrophobicContact CG-CB 4.25Å; P104-Y113 HydrophobicContact CG-CD2 4.49Å | ||
| 105 | K | 83.6 | Confident | 89.6 | Confident | 164 Ų | 164 | 74 Ų | 74 | 71% | 0.713 | 35% | 0.35 | S | S | * | . | trans | -98.3 | -18.9 | 179.5 | -65.7 | 163.3 | -171.7 | 133.2 | 0 | 112.7 | E102 V103 | E102-K105 IonicContact OE2-NZ 3.52Å; E102-K105 PolarHBondContact OE2-NZ 3.25Å; V103-K105 PolarHBondContact O-N 2.94Å | ||
| 106 | D | 88.8 | Confident | 89.7 | Confident | 80 Ų | 80 | 73.9 Ų | 73.9 | 43% | 0.428 | 35% | 0.349 | S | S | . | . | S | Bend | trans | -74.6 | 149.3 | 169.2 | 172 | 60.6 | 0 | 0 | 0 | 110.7 | D108 L109 Y110 | D106-D108 PolarHBondContact OD2-N 3.42Å; D106-L109 HydrophobicContact CB-CB 4.35Å; D106-L109 HydrophobicContact CB-CD1 4.29Å; D106-L109 PolarHBondContact OD2-N 3.09Å; D106-L109 VanDerWaalsContact OD2-N 3.07Å; D106-Y110 WeakPolarHBondContact O-CB 3.39Å; D106-Y110 PolarHBondContact O-N 2.92Å |
| 107 | R | 90.3 | Very high | 90 | Very high | 188 Ų | 188 | 72.9 Ų | 72.9 | 71% | 0.709 | 35% | 0.345 | S | S | * | . | H | α-helix | trans | -66.1 | -41.9 | -175.4 | -173 | -165.5 | 67.1 | -166.6 | -6.5 | 112.5 | Y110 S111 | R107-Y110 PolarHBondContact O-N 2.74Å; R107-S111 PolarHBondContact O-N 2.78Å |
| 108 | D | 90.4 | Very high | 90.1 | Very high | 85 Ų | 85 | 73.7 Ų | 73.7 | 46% | 0.455 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -86.8 | -39.4 | -167 | -62.7 | -23.3 | 0 | 0 | 0 | 109.9 | D106 Y110 S111 A112 | D106-D108 PolarHBondContact OD2-N 3.42Å; D108-Y110 VanDerWaalsContact C-N 3.29Å; D108-Y110 PolarHBondContact O-N 2.73Å; D108-S111 WeakPolarHBondContact O-CB 3.38Å; D108-S111 PolarHBondContact O-N 2.78Å; D108-S111 VanDerWaalsContact O-N 3.15Å; D108-A112 PolarHBondContact O-N 3.32Å |
| 109 | L | 92.4 | Very high | 90.3 | Very high | 56 Ų | 56 | 74.1 Ų | 74.1 | 29% | 0.293 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -60.9 | -34.6 | 164.8 | -70.4 | 170.9 | 0 | 0 | 0 | 112.9 | A49 E50 F99 P104 D106 A112 Y113 | A49-L109 VanDerWaalsContact O-CD2 3.3Å; A49-L109 WeakPolarHBondContact O-CD2 3.5Å; E50-L109 HydrophobicContact CG-CD2 3.73Å; F99-L109 HydrophobicContact CE1-CD2 4.47Å; P104-L109 HydrophobicContact CB-CB 3.7Å; P104-L109 HydrophobicContact CG-CB 4.25Å; D106-L109 HydrophobicContact CB-CB 4.35Å; D106-L109 HydrophobicContact CB-CD1 4.29Å; D106-L109 PolarHBondContact OD2-N 3.09Å; D106-L109 VanDerWaalsContact OD2-N 3.07Å; L109-A112 PolarHBondContact O-N 2.92Å; L109-Y113 WeakPolarHBondContact O-CB 3.44Å; L109-Y113 PolarHBondContact O-N 3.2Å |
| 110 | Y | 92.3 | Very high | 90.5 | Very high | 105 Ų | 105 | 73.5 Ų | 73.5 | 41% | 0.412 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -70.5 | -31.8 | 174.8 | -176.5 | -108.2 | 0 | 0 | 0 | 112.3 | V103 D106 R107 D108 Y113 L114 | V103-Y110 HydrophobicContact CG1-CD2 4.02Å; V103-Y110 HydrophobicContact CG1-CE2 3.89Å; D106-Y110 WeakPolarHBondContact O-CB 3.39Å; D106-Y110 PolarHBondContact O-N 2.92Å; R107-Y110 PolarHBondContact O-N 2.74Å; D108-Y110 VanDerWaalsContact C-N 3.29Å; D108-Y110 PolarHBondContact O-N 2.73Å; Y110-Y113 HydrophobicContact CE2-CD1 4.39Å; Y110-Y113 PolarHBondContact O-N 2.72Å; Y110-L114 HydrophobicContact CD1-CD1 4.1Å; Y110-L114 HydrophobicContact CE1-CD1 3.65Å; Y110-L114 HydrophobicContact CE1-CG 4.24Å; Y110-L114 WeakPolarHBondContact O-CG 3.29Å; Y110-L114 PolarHBondContact O-N 2.75Å; Y110-L114 VanDerWaalsContact O-N 3.1Å |
| 111 | S | 94.5 | Very high | 90.9 | Very high | 55 Ų | 55 | 65 Ų | 65 | 39% | 0.385 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -66.7 | -41.8 | 170.6 | -169.8 | 0 | 0 | 0 | 0 | 111.8 | R107 D108 L114 Q115 | R107-S111 PolarHBondContact O-N 2.78Å; D108-S111 WeakPolarHBondContact O-CB 3.38Å; D108-S111 PolarHBondContact O-N 2.78Å; D108-S111 VanDerWaalsContact O-N 3.15Å; S111-L114 PolarHBondContact O-N 3.02Å; S111-Q115 WeakPolarHBondContact O-CG 3.29Å; S111-Q115 PolarHBondContact O-N 2.8Å; S111-Q115 PolarHBondContact OG-NE2 2.92Å |
| 112 | A | 94.2 | Very high | 91.5 | Very high | 5 Ų | 5 | 61.5 Ų | 61.5 | 4% | 0.041 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -62.2 | -42 | 174 | 0 | 0 | 0 | 0 | 0 | 112.2 | E50 F99 D108 L109 L114 Q115 V116 | E50-A112 HydrophobicContact CB-CB 4.4Å; F99-A112 HydrophobicContact CE1-CB 4.3Å; F99-A112 HydrophobicContact CZ-CB 3.96Å; D108-A112 PolarHBondContact O-N 3.32Å; L109-A112 PolarHBondContact O-N 2.92Å; A112-L114 PolarHBondContact O-N 3.32Å; A112-Q115 PolarHBondContact O-N 3.29Å; A112-V116 PolarHBondContact O-N 2.92Å |
| 113 | Y | 95 | Very high | 92.1 | Very high | 36 Ų | 36 | 58.1 Ų | 58.1 | 14% | 0.141 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -56.8 | -47.4 | 173.9 | 174.3 | -83.8 | 0 | 0 | 0 | 112.3 | A95 I96 F99 P104 L109 Y110 Q115 V116 D117 | A95-Y113 HydrophobicContact CB-CD2 4.38Å; A95-Y113 HydrophobicContact CB-CE2 3.99Å; I96-Y113 HydrophobicContact CB-CE2 4.47Å; F99-Y113 HydrophobicContact CB-CD2 4.19Å; F99-Y113 AromaticContact CD2-CD2 3.68Å; F99-Y113 HydrophobicContact CD2-CD2 3.68Å; F99-Y113 HydrophobicContact CD2-CG 4.39Å; F99-Y113 HydrophobicContact CE2-CD2 4.32Å; F99-Y113 AromaticContact CG-CD2 3.99Å; F99-Y113 HydrophobicContact CG-CD2 3.99Å; P104-Y113 HydrophobicContact CG-CD2 4.49Å; L109-Y113 WeakPolarHBondContact O-CB 3.44Å; L109-Y113 PolarHBondContact O-N 3.2Å; Y110-Y113 HydrophobicContact CE2-CD1 4.39Å; Y110-Y113 PolarHBondContact O-N 2.72Å; Y113-Q115 PolarHBondContact O-N 3.49Å; Y113-V116 PolarHBondContact O-N 3.49Å; Y113-D117 PolarHBondContact O-N 3.43Å |
| 114 | L | 92.7 | Very high | 92.7 | Very high | 64 Ų | 64 | 56.3 Ų | 56.3 | 34% | 0.335 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -63.5 | -40.6 | 177.8 | -71.7 | 173.1 | 0 | 0 | 0 | 112 | Y110 S111 A112 V116 D117 D118 | Y110-L114 HydrophobicContact CD1-CD1 4.1Å; Y110-L114 HydrophobicContact CE1-CD1 3.65Å; Y110-L114 HydrophobicContact CE1-CG 4.24Å; Y110-L114 WeakPolarHBondContact O-CG 3.29Å; Y110-L114 PolarHBondContact O-N 2.75Å; Y110-L114 VanDerWaalsContact O-N 3.1Å; S111-L114 PolarHBondContact O-N 3.02Å; A112-L114 PolarHBondContact O-N 3.32Å; L114-V116 VanDerWaalsContact C-N 3.32Å; L114-V116 PolarHBondContact O-N 3.37Å; L114-D117 PolarHBondContact O-N 2.83Å; L114-D118 PolarHBondContact O-N 2.77Å |
| 115 | Q | 94.4 | Very high | 92.9 | Very high | 75 Ų | 75 | 59.3 Ų | 59.3 | 35% | 0.35 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -62.4 | -37.8 | 176.3 | -70.2 | 170.5 | 40.1 | 0 | 0 | 112.4 | R55 S111 A112 Y113 L119 | R55-Q115 VanDerWaalsContact CZ-OE1 3.27Å; S111-Q115 WeakPolarHBondContact O-CG 3.29Å; S111-Q115 PolarHBondContact O-N 2.8Å; S111-Q115 PolarHBondContact OG-NE2 2.92Å; A112-Q115 PolarHBondContact O-N 3.29Å; Y113-Q115 PolarHBondContact O-N 3.49Å; Q115-L119 WeakPolarHBondContact O-CB 3.48Å; Q115-L119 VanDerWaalsContact O-CG 3.27Å; Q115-L119 WeakPolarHBondContact O-CG 3.38Å; Q115-L119 PolarHBondContact O-N 2.88Å |
| 116 | V | 95.2 | Very high | 93.4 | Very high | 2 Ų | 2 | 53.7 Ų | 53.7 | 1% | 0.012 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -69 | -40.7 | 174.4 | 175.1 | 0 | 0 | 0 | 0 | 111.4 | C51 R55 A95 F99 A112 Y113 L114 D118 L119 L120 | C51-V116 HydrophobicContact CB-CG2 4Å; R55-V116 HydrophobicContact CG-CG2 3.84Å; A95-V116 HydrophobicContact CB-CB 4.43Å; A95-V116 HydrophobicContact CB-CG1 3.93Å; F99-V116 HydrophobicContact CE2-CB 4.33Å; F99-V116 HydrophobicContact CE2-CG2 4.09Å; A112-V116 PolarHBondContact O-N 2.92Å; Y113-V116 PolarHBondContact O-N 3.49Å; L114-V116 VanDerWaalsContact C-N 3.32Å; L114-V116 PolarHBondContact O-N 3.37Å; V116-D118 VanDerWaalsContact C-N 3.34Å; V116-D118 PolarHBondContact O-N 3.37Å; V116-L119 PolarHBondContact O-N 3.35Å; V116-L120 HydrophobicContact CG1-CD1 4.43Å; V116-L120 WeakPolarHBondContact O-CG 3.28Å; V116-L120 PolarHBondContact O-N 3.47Å |
| 117 | D | 93.5 | Very high | 93.7 | Very high | 33 Ų | 33 | 50 Ų | 50 | 18% | 0.176 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -62.5 | -38.3 | 175.4 | -171.4 | 57.1 | 0 | 0 | 0 | 112.3 | A95 Y113 L114 K121 | A95-D117 HydrophobicContact CB-CB 4.41Å; Y113-D117 PolarHBondContact O-N 3.43Å; L114-D117 PolarHBondContact O-N 2.83Å; D117-K121 VanDerWaalsContact O-CE 3.29Å; D117-K121 WeakPolarHBondContact O-CE 3.41Å; D117-K121 WeakPolarHBondContact O-CG 3.45Å; D117-K121 PolarHBondContact O-N 3.45Å; D117-K121 WeakPolarHBondContact OD2-CE 3.22Å; D117-K121 IonicContact OD2-NZ 2.79Å; D117-K121 PolarHBondContact OD2-NZ 3.05Å |
| 118 | D | 93.1 | Very high | 93.9 | Very high | 91 Ų | 91 | 42.7 Ų | 42.7 | 49% | 0.487 | 22% | 0.223 | S | C | . | . | H | α-helix | trans | -72.8 | -35.8 | 175.8 | -69 | -23.5 | 0 | 0 | 0 | 113 | L114 V116 K121 S122 | L114-D118 PolarHBondContact O-N 2.77Å; V116-D118 VanDerWaalsContact C-N 3.34Å; V116-D118 PolarHBondContact O-N 3.37Å; D118-K121 PolarHBondContact O-N 3.14Å; D118-K121 IonicContact OD1-NZ 3.62Å; D118-K121 PolarHBondContact OD1-NZ 3.45Å; D118-S122 PolarHBondContact O-N 3.22Å; D118-S122 VanDerWaalsContact O-N 3.12Å |
| 119 | L | 94.9 | Very high | 94 | Very high | 32 Ų | 32 | 40.2 Ų | 40.2 | 17% | 0.168 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -63.4 | -42 | 171.3 | -75.7 | 171.5 | 0 | 0 | 0 | 111.9 | R55 Q115 V116 K121 S122 Y123 | R55-L119 HydrophobicContact CG-CD1 4.49Å; Q115-L119 WeakPolarHBondContact O-CB 3.48Å; Q115-L119 VanDerWaalsContact O-CG 3.27Å; Q115-L119 WeakPolarHBondContact O-CG 3.38Å; Q115-L119 PolarHBondContact O-N 2.88Å; V116-L119 PolarHBondContact O-N 3.35Å; L119-K121 VanDerWaalsContact C-N 3.31Å; L119-K121 PolarHBondContact O-N 3.29Å; L119-S122 WeakPolarHBondContact O-CA 3.34Å; L119-S122 VanDerWaalsContact O-CB 3.3Å; L119-S122 WeakPolarHBondContact O-CB 3.06Å; L119-S122 PolarHBondContact O-N 3.19Å; L119-Y123 WeakPolarHBondContact O-CD1 3.35Å; L119-Y123 PolarHBondContact O-N 2.87Å |
| 120 | L | 95.8 | Very high | 94.1 | Very high | 5 Ų | 5 | 41.2 Ų | 41.2 | 3% | 0.026 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -59.2 | -41.1 | 173.8 | -71.5 | 170.9 | 0 | 0 | 0 | 111.6 | L91 A95 V116 S122 Y123 K124 I172 | L91-L120 WeakPolarHBondContact O-CD2 3.43Å; A95-L120 HydrophobicContact CB-CD1 4.02Å; V116-L120 HydrophobicContact CG1-CD1 4.43Å; V116-L120 WeakPolarHBondContact O-CG 3.28Å; V116-L120 PolarHBondContact O-N 3.47Å; L120-S122 VanDerWaalsContact C-N 3.27Å; L120-S122 PolarHBondContact O-N 3Å; L120-Y123 HydrophobicContact CD2-CD2 4.18Å; L120-Y123 PolarHBondContact O-N 3.34Å; L120-K124 PolarHBondContact O-N 2.85Å; L120-I172 HydrophobicContact CB-CD1 4.04Å; L120-I172 HydrophobicContact CB-CG1 4.05Å; L120-I172 HydrophobicContact CB-CG2 4Å; L120-I172 HydrophobicContact CD2-CD1 4.02Å; L120-I172 HydrophobicContact CD2-CG1 4.31Å |
| 121 | K | 93.3 | Very high | 94.2 | Very high | 28 Ų | 28 | 40.8 Ų | 40.8 | 12% | 0.122 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -64.2 | -29.2 | 174.7 | -66.1 | 161.4 | -150.9 | 158.2 | 0 | 113 | D117 D118 L119 K125 I172 D175 | D117-K121 VanDerWaalsContact O-CE 3.29Å; D117-K121 WeakPolarHBondContact O-CE 3.41Å; D117-K121 WeakPolarHBondContact O-CG 3.45Å; D117-K121 PolarHBondContact O-N 3.45Å; D117-K121 WeakPolarHBondContact OD2-CE 3.22Å; D117-K121 IonicContact OD2-NZ 2.79Å; D117-K121 PolarHBondContact OD2-NZ 3.05Å; D118-K121 PolarHBondContact O-N 3.14Å; D118-K121 IonicContact OD1-NZ 3.62Å; D118-K121 PolarHBondContact OD1-NZ 3.45Å; L119-K121 VanDerWaalsContact C-N 3.31Å; L119-K121 PolarHBondContact O-N 3.29Å; K121-K125 WeakPolarHBondContact O-CG 3.31Å; K121-I172 HydrophobicContact CG-CG2 4.46Å; K121-D175 HydrophobicContact CD-CB 4.16Å; K121-D175 HydrophobicContact CG-CB 4.47Å |
| 122 | S | 93 | Very high | 94.2 | Very high | 42 Ų | 42 | 38.2 Ų | 38.2 | 29% | 0.294 | 20% | 0.196 | S | C | . | . | H | α-helix | trans | -66.8 | -52.9 | 169.1 | -164.4 | 0 | 0 | 0 | 0 | 110.2 | D118 L119 L120 K124 K125 D126 | D118-S122 PolarHBondContact O-N 3.22Å; D118-S122 VanDerWaalsContact O-N 3.12Å; L119-S122 WeakPolarHBondContact O-CA 3.34Å; L119-S122 VanDerWaalsContact O-CB 3.3Å; L119-S122 WeakPolarHBondContact O-CB 3.06Å; L119-S122 PolarHBondContact O-N 3.19Å; L120-S122 VanDerWaalsContact C-N 3.27Å; L120-S122 PolarHBondContact O-N 3Å; S122-K124 PolarHBondContact O-N 3.38Å; S122-K125 WeakPolarHBondContact O-CA 3.36Å; S122-K125 WeakPolarHBondContact O-CB 3.39Å; S122-K125 PolarHBondContact O-N 2.89Å; S122-D126 PolarHBondContact O-N 3.3Å |
| 123 | Y | 95.3 | Very high | 94.3 | Very high | 4 Ų | 4 | 38 Ų | 38 | 2% | 0.016 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -57.4 | -36.8 | 179.9 | -53.7 | -23.4 | 0 | 0 | 0 | 112 | G58 V63 L91 L119 L120 K125 D126 F127 | G58-Y123 WeakPolarHBondContact CA-OH 3.43Å; V63-Y123 HydrophobicContact CB-CD1 3.87Å; V63-Y123 HydrophobicContact CB-CE1 4.14Å; V63-Y123 HydrophobicContact CB-CG 4.47Å; V63-Y123 HydrophobicContact CG1-CD1 4.22Å; V63-Y123 HydrophobicContact CG1-CG 4.44Å; V63-Y123 HydrophobicContact CG2-CD1 3.68Å; V63-Y123 HydrophobicContact CG2-CD2 4.37Å; V63-Y123 HydrophobicContact CG2-CE1 3.64Å; V63-Y123 HydrophobicContact CG2-CE2 4.34Å; V63-Y123 HydrophobicContact CG2-CG 4.08Å; L91-Y123 HydrophobicContact CB-CE2 4.32Å; L119-Y123 WeakPolarHBondContact O-CD1 3.35Å; L119-Y123 PolarHBondContact O-N 2.87Å; L120-Y123 HydrophobicContact CD2-CD2 4.18Å; L120-Y123 PolarHBondContact O-N 3.34Å; Y123-K125 PolarHBondContact O-N 3.27Å; Y123-D126 WeakPolarHBondContact CA-OD2 3.34Å; Y123-D126 PolarHBondContact O-N 3.09Å; Y123-D126 VanDerWaalsContact O-N 3.12Å; Y123-F127 WeakPolarHBondContact O-CB 3.44Å; Y123-F127 WeakPolarHBondContact O-CD2 3.4Å; Y123-F127 PolarHBondContact O-N 3.09Å |
| 124 | K | 95 | Very high | 94.4 | Very high | 8 Ų | 8 | 40.3 Ų | 40.3 | 4% | 0.035 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -61.1 | -31.1 | 175.1 | -163.8 | 175.8 | -170.6 | 160.3 | 0 | 112.8 | L120 S122 V169 L170 I172 V188 H189 I192 | L120-K124 PolarHBondContact O-N 2.85Å; S122-K124 PolarHBondContact O-N 3.38Å; K124-V169 WeakPolarHBondContact CE-O 3.44Å; K124-L170 PolarHBondContact NZ-O 3.13Å; K124-I172 HydrophobicContact CB-CB 4.33Å; K124-I172 HydrophobicContact CB-CD1 4.33Å; K124-I172 HydrophobicContact CB-CG2 3.98Å; K124-I172 HydrophobicContact CD-CB 3.99Å; K124-I172 HydrophobicContact CD-CG2 4.06Å; K124-I172 PolarHBondContact NZ-O 3Å; K124-I172 VanDerWaalsContact NZ-O 3.09Å; K124-V188 HydrophobicContact CG-CG1 4.1Å; K124-V188 WeakPolarHBondContact O-CG1 3.34Å; K124-H189 PolarHBondContact NZ-ND1 3.5Å; K124-I192 HydrophobicContact CD-CD1 4.14Å; K124-I192 VanDerWaalsContact CE-CD1 3.49Å; K124-I192 HydrophobicContact CG-CD1 3.45Å; K124-I192 VanDerWaalsContact CG-CD1 3.45Å; K124-I192 WeakPolarHBondContact O-CD1 3.36Å |
| 125 | K | 92.5 | Very high | 94.5 | Very high | 88 Ų | 88 | 38.9 Ų | 38.9 | 38% | 0.383 | 20% | 0.196 | S | C | . | . | H | α-helix | trans | -75.4 | -41.3 | 172.9 | -64.5 | 163.9 | -172.5 | 171.6 | 0 | 110.7 | K121 S122 Y123 F127 A128 D175 V188 | K121-K125 WeakPolarHBondContact O-CG 3.31Å; S122-K125 WeakPolarHBondContact O-CA 3.36Å; S122-K125 WeakPolarHBondContact O-CB 3.39Å; S122-K125 PolarHBondContact O-N 2.89Å; Y123-K125 PolarHBondContact O-N 3.27Å; K125-F127 VanDerWaalsContact C-N 3.27Å; K125-F127 PolarHBondContact O-N 2.92Å; K125-A128 WeakPolarHBondContact O-CB 3.36Å; K125-A128 PolarHBondContact O-N 3.3Å; K125-A128 VanDerWaalsContact O-N 3.15Å; K125-D175 IonicContact NZ-OD2 3.56Å; K125-D175 PolarHBondContact NZ-OD2 3.19Å; K125-V188 HydrophobicContact CB-CG1 4.38Å; K125-V188 HydrophobicContact CD-CG2 4.43Å; K125-V188 HydrophobicContact CG-CB 4.43Å; K125-V188 HydrophobicContact CG-CG1 3.77Å; K125-V188 HydrophobicContact CG-CG2 3.73Å |
| 126 | D | 94.1 | Very high | 94.5 | Very high | 45 Ų | 45 | 35.3 Ų | 35.3 | 24% | 0.241 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -63.3 | -31.9 | 177.2 | -52.6 | -39.9 | 0 | 0 | 0 | 112.4 | V63 I68 S122 Y123 A128 | V63-D126 HydrophobicContact CG1-CB 4.33Å; I68-D126 HydrophobicContact CD1-CB 4.12Å; I68-D126 WeakPolarHBondContact CD1-O 3.39Å; S122-D126 PolarHBondContact O-N 3.3Å; Y123-D126 WeakPolarHBondContact CA-OD2 3.34Å; Y123-D126 PolarHBondContact O-N 3.09Å; Y123-D126 VanDerWaalsContact O-N 3.12Å; D126-A128 VanDerWaalsContact C-N 3.29Å; D126-A128 PolarHBondContact O-N 2.86Å |
| 127 | F | 95.6 | Very high | 94.6 | Very high | 3 Ų | 3 | 35.9 Ų | 35.9 | 1% | 0.013 | 18% | 0.183 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -77.7 | 0.4 | 175.9 | -93.6 | -88.7 | 0 | 0 | 0 | 114.8 | V63 I68 L88 T92 Y123 K125 D129 L132 F133 L165 V169 | V63-F127 HydrophobicContact CG1-CD2 4.42Å; V63-F127 HydrophobicContact CG1-CE2 4.05Å; I68-F127 HydrophobicContact CD1-CD2 4.4Å; L88-F127 HydrophobicContact CD1-CZ 4.33Å; L88-F127 HydrophobicContact CD2-CE2 4.27Å; L88-F127 HydrophobicContact CD2-CZ 4.17Å; T92-F127 HydrophobicContact CG2-CE2 4.03Å; Y123-F127 WeakPolarHBondContact O-CB 3.44Å; Y123-F127 WeakPolarHBondContact O-CD2 3.4Å; Y123-F127 PolarHBondContact O-N 3.09Å; K125-F127 VanDerWaalsContact C-N 3.27Å; K125-F127 PolarHBondContact O-N 2.92Å; F127-D129 PolarHBondContact O-N 3.31Å; F127-L132 HydrophobicContact CD1-CD2 3.57Å; F127-L132 HydrophobicContact CE1-CD2 3.75Å; F127-L132 HydrophobicContact CG-CD2 4.31Å; F127-F133 WeakPolarHBondContact O-CE2 3.37Å; F127-L165 HydrophobicContact CE1-CD1 4.38Å; F127-L165 HydrophobicContact CE1-CD2 4.33Å; F127-L165 HydrophobicContact CE1-CG 4.34Å; F127-L165 HydrophobicContact CZ-CD1 3.91Å; F127-L165 HydrophobicContact CZ-CD2 4.33Å; F127-L165 HydrophobicContact CZ-CG 4.33Å; F127-V169 HydrophobicContact CB-CG1 3.72Å; F127-V169 HydrophobicContact CB-CG2 4.36Å; F127-V169 HydrophobicContact CD1-CG1 4.28Å; F127-V169 HydrophobicContact CD1-CG2 3.73Å; F127-V169 HydrophobicContact CD2-CG2 3.79Å; F127-V169 HydrophobicContact CE1-CG2 3.87Å; F127-V169 HydrophobicContact CE2-CG2 3.94Å; F127-V169 HydrophobicContact CG-CG1 3.98Å; F127-V169 HydrophobicContact CG-CG2 3.69Å; F127-V169 HydrophobicContact CZ-CG2 3.98Å |
| 128 | A | 94 | Very high | 94.6 | Very high | 35 Ų | 35 | 39.3 Ų | 39.3 | 29% | 0.289 | 20% | 0.202 | S | C | . | . | trans | -77.8 | 44.8 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112.7 | K125 D126 Q191 I192 | K125-A128 WeakPolarHBondContact O-CB 3.36Å; K125-A128 PolarHBondContact O-N 3.3Å; K125-A128 VanDerWaalsContact O-N 3.15Å; D126-A128 VanDerWaalsContact C-N 3.29Å; D126-A128 PolarHBondContact O-N 2.86Å; A128-Q191 HydrophobicContact CB-CB 4.01Å; A128-I192 HydrophobicContact CB-CG1 4.5Å | ||
| 129 | D | 93.9 | Very high | 94.6 | Very high | 32 Ų | 32 | 37 Ų | 37 | 17% | 0.171 | 19% | 0.189 | C | C | . | . | trans | -114.4 | 115.3 | -174 | -174.8 | -35.2 | 0 | 0 | 0 | 110.3 | R72 F127 E131 L132 F133 | R72-D129 IonicContact CZ-OD2 2.74Å; R72-D129 IonicContact NH1-OD1 2.73Å; R72-D129 IonicContact NH1-OD2 3.9Å; R72-D129 PolarHBondContact NH1-OD2 2.83Å; R72-D129 IonicContact NH2-OD2 3.49Å; R72-D129 PolarHBondContact NH2-OD2 3.44Å; F127-D129 PolarHBondContact O-N 3.31Å; D129-E131 WeakPolarHBondContact OD1-CA 3.35Å; D129-E131 WeakPolarHBondContact OD1-CB 3.45Å; D129-E131 PolarHBondContact OD1-N 2.98Å; D129-L132 HydrophobicContact CB-CB 3.83Å; D129-L132 HydrophobicContact CB-CD2 4.48Å; D129-L132 PolarHBondContact OD1-N 3.11Å; D129-F133 WeakPolarHBondContact O-CD2 3.24Å; D129-F133 PolarHBondContact O-N 3.46Å | ||
| 130 | E | 94.9 | Very high | 94.7 | Very high | 77 Ų | 77 | 35.4 Ų | 35.4 | 36% | 0.36 | 18% | 0.181 | S | C | . | . | H | α-helix | trans | -64.9 | -36.9 | -179.8 | -171.8 | -162.2 | 112.4 | 0 | 0 | 112.9 | R134 A195 L198 | E130-R134 WeakPolarHBondContact O-CB 3.5Å; E130-R134 PolarHBondContact O-N 3.42Å; E130-R134 IonicContact OE1-CZ 3.09Å; E130-R134 IonicContact OE1-NH1 2.7Å; E130-R134 PolarHBondContact OE1-NH1 3.17Å; E130-R134 IonicContact OE1-NH2 3.07Å; E130-R134 PolarHBondContact OE1-NH2 2.82Å; E130-A195 HydrophobicContact CB-CB 4.48Å; E130-L198 HydrophobicContact CG-CB 3.93Å; E130-L198 VanDerWaalsContact OE2-CD1 3.24Å; E130-L198 WeakPolarHBondContact OE2-CD1 3.44Å |
| 131 | E | 93.6 | Very high | 94.6 | Very high | 97 Ų | 97 | 36.2 Ų | 36.2 | 45% | 0.453 | 19% | 0.19 | S | C | . | . | H | α-helix | trans | -71.6 | -39.8 | -179.2 | -171.2 | -179.9 | -158.9 | 0 | 0 | 110.4 | R72 D129 R134 V135 | R72-E131 WeakPolarHBondContact CD-OE2 3.45Å; R72-E131 HydrophobicContact CG-CG 4.32Å; R72-E131 IonicContact CZ-OE2 2.74Å; R72-E131 IonicContact NE-OE2 2.76Å; R72-E131 IonicContact NH1-OE2 3.22Å; R72-E131 PolarHBondContact NH1-OE2 3.18Å; D129-E131 WeakPolarHBondContact OD1-CA 3.35Å; D129-E131 WeakPolarHBondContact OD1-CB 3.45Å; D129-E131 PolarHBondContact OD1-N 2.98Å; E131-R134 PolarHBondContact O-N 3.11Å; E131-V135 WeakPolarHBondContact O-CG2 3.32Å; E131-V135 PolarHBondContact O-N 3.49Å |
| 132 | L | 94.8 | Very high | 94.6 | Very high | 0 Ų | 0 | 37.3 Ų | 37.3 | 0% | 0 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -56.7 | -52.1 | 171.9 | 174.7 | 62.6 | 0 | 0 | 0 | 111.7 | I68 L71 F127 D129 R134 V135 L136 | I68-L132 HydrophobicContact CD1-CD2 3.95Å; I68-L132 HydrophobicContact CG1-CD2 3.88Å; I68-L132 HydrophobicContact CG2-CB 4.44Å; I68-L132 HydrophobicContact CG2-CD1 4.44Å; I68-L132 HydrophobicContact CG2-CD2 4.04Å; L71-L132 HydrophobicContact CB-CD1 4.17Å; L71-L132 HydrophobicContact CD1-CD1 3.57Å; F127-L132 HydrophobicContact CD1-CD2 3.57Å; F127-L132 HydrophobicContact CE1-CD2 3.75Å; F127-L132 HydrophobicContact CG-CD2 4.31Å; D129-L132 HydrophobicContact CB-CB 3.83Å; D129-L132 HydrophobicContact CB-CD2 4.48Å; D129-L132 PolarHBondContact OD1-N 3.11Å; L132-R134 VanDerWaalsContact C-N 3.3Å; L132-R134 PolarHBondContact O-N 3.15Å; L132-V135 PolarHBondContact O-N 3.31Å; L132-L136 HydrophobicContact CD1-CD1 4.32Å; L132-L136 HydrophobicContact CG-CD1 4.38Å; L132-L136 WeakPolarHBondContact O-CG 3.43Å; L132-L136 PolarHBondContact O-N 3.27Å; L132-L136 VanDerWaalsContact O-N 3.11Å |
| 133 | F | 96.6 | Very high | 94.6 | Very high | 1 Ų | 1 | 35.5 Ų | 35.5 | 0% | 0.004 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -63.1 | -35.9 | 178.5 | -87.3 | -76.6 | 0 | 0 | 0 | 112.2 | F127 D129 L136 C137 I166 I192 A195 M196 S199 W201 | F127-F133 WeakPolarHBondContact O-CE2 3.37Å; D129-F133 WeakPolarHBondContact O-CD2 3.24Å; D129-F133 PolarHBondContact O-N 3.46Å; F133-L136 PolarHBondContact O-N 2.93Å; F133-C137 WeakPolarHBondContact O-CB 3.48Å; F133-C137 PolarHBondContact O-N 2.89Å; F133-I166 HydrophobicContact CE1-CD1 4.25Å; F133-I166 HydrophobicContact CE1-CG1 4.01Å; F133-I166 HydrophobicContact CE1-CG2 4.28Å; F133-I192 HydrophobicContact CE2-CG2 3.95Å; F133-I192 HydrophobicContact CZ-CG2 3.76Å; F133-A195 HydrophobicContact CD2-CB 3.94Å; F133-A195 HydrophobicContact CE2-CB 4.49Å; F133-M196 HydrophobicContact CD1-CG 3.71Å; F133-M196 HydrophobicContact CE1-CG 3.51Å; F133-M196 HydrophobicContact CE1-SD 4.05Å; F133-M196 HydrophobicContact CE2-CG 4.35Å; F133-M196 HydrophobicContact CG-CG 4.22Å; F133-M196 HydrophobicContact CZ-CG 3.87Å; F133-M196 HydrophobicContact CZ-SD 4.3Å; F133-S199 WeakPolarHBondContact CB-OG 3.44Å; F133-W201 AromaticContact CD1-CD1 3.77Å; F133-W201 HydrophobicContact CD1-CG 4.48Å; F133-W201 AromaticContact CD1-NE1 3.76Å; F133-W201 PolarHBondContact O-NE1 3.45Å |
| 134 | R | 95.7 | Very high | 94.5 | Very high | 84 Ų | 84 | 36.1 Ų | 36.1 | 32% | 0.317 | 19% | 0.192 | S | C | . | . | H | α-helix | trans | -65.3 | -41.9 | 175.3 | -173.7 | 174 | -68 | 120 | -0.4 | 113.1 | E130 E131 L132 L136 C137 N138 L198 | E130-R134 WeakPolarHBondContact O-CB 3.5Å; E130-R134 PolarHBondContact O-N 3.42Å; E130-R134 IonicContact OE1-CZ 3.09Å; E130-R134 IonicContact OE1-NH1 2.7Å; E130-R134 PolarHBondContact OE1-NH1 3.17Å; E130-R134 IonicContact OE1-NH2 3.07Å; E130-R134 PolarHBondContact OE1-NH2 2.82Å; E131-R134 PolarHBondContact O-N 3.11Å; L132-R134 VanDerWaalsContact C-N 3.3Å; L132-R134 PolarHBondContact O-N 3.15Å; R134-L136 VanDerWaalsContact C-N 3.32Å; R134-L136 PolarHBondContact O-N 3.3Å; R134-C137 PolarHBondContact O-N 2.93Å; R134-N138 WeakPolarHBondContact O-CB 3.05Å; R134-N138 PolarHBondContact O-N 3.31Å; R134-N138 PolarHBondContact O-ND2 3.42Å; R134-L198 PolarHBondContact NH2-O 3.34Å |
| 135 | V | 94.7 | Very high | 94.4 | Very high | 34 Ų | 34 | 42.5 Ų | 42.5 | 21% | 0.206 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -60.8 | -42.9 | 173.7 | 168.5 | 0 | 0 | 0 | 0 | 111 | F81 E131 L132 L139 | F81-V135 HydrophobicContact CE2-CG1 3.88Å; F81-V135 HydrophobicContact CZ-CG1 4.14Å; E131-V135 WeakPolarHBondContact O-CG2 3.32Å; E131-V135 PolarHBondContact O-N 3.49Å; L132-V135 PolarHBondContact O-N 3.31Å; V135-L139 WeakPolarHBondContact O-CB 3.38Å; V135-L139 PolarHBondContact O-N 3Å; V135-L139 VanDerWaalsContact O-N 3.17Å |
| 136 | L | 95.8 | Very high | 94.3 | Very high | 1 Ų | 1 | 42.1 Ų | 42.1 | 1% | 0.005 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -66.9 | -40.8 | 176.8 | -64.4 | 172.6 | 0 | 0 | 0 | 112.4 | F81 I85 L132 F133 R134 L139 V140 I162 W201 | F81-L136 HydrophobicContact CE1-CD2 4.47Å; F81-L136 HydrophobicContact CZ-CD2 4.18Å; I85-L136 HydrophobicContact CD1-CD2 3.67Å; L132-L136 HydrophobicContact CD1-CD1 4.32Å; L132-L136 HydrophobicContact CG-CD1 4.38Å; L132-L136 WeakPolarHBondContact O-CG 3.43Å; L132-L136 PolarHBondContact O-N 3.27Å; L132-L136 VanDerWaalsContact O-N 3.11Å; F133-L136 PolarHBondContact O-N 2.93Å; R134-L136 VanDerWaalsContact C-N 3.32Å; R134-L136 PolarHBondContact O-N 3.3Å; L136-L139 PolarHBondContact O-N 3.05Å; L136-V140 PolarHBondContact O-N 3.5Å; L136-V140 VanDerWaalsContact O-N 3.09Å; L136-I162 HydrophobicContact CB-CG2 4.26Å; L136-I162 HydrophobicContact CD2-CG1 4.38Å; L136-I162 HydrophobicContact CD2-CG2 4.24Å; L136-W201 HydrophobicContact CB-CZ2 3.88Å |
| 137 | C | 96 | Very high | 94 | Very high | 13 Ų | 13 | 42.3 Ų | 42.3 | 9% | 0.088 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -62.8 | -52.5 | 178.5 | -167.7 | 0 | 0 | 0 | 0 | 111.2 | F133 R134 L139 V140 G141 S199 W201 | F133-C137 WeakPolarHBondContact O-CB 3.48Å; F133-C137 PolarHBondContact O-N 2.89Å; R134-C137 PolarHBondContact O-N 2.93Å; C137-L139 VanDerWaalsContact C-N 3.27Å; C137-L139 PolarHBondContact O-N 3.38Å; C137-V140 PolarHBondContact O-N 3.46Å; C137-G141 PolarHBondContact O-N 2.89Å; C137-S199 WeakPolarHBondContact CB-O 3.47Å; C137-S199 PolarHBondContact SG-O 3.12Å; C137-W201 HydrophobicContact CB-CZ2 4.41Å |
| 138 | N | 94.6 | Very high | 93.5 | Very high | 106 Ų | 106 | 47.4 Ų | 47.4 | 57% | 0.567 | 25% | 0.247 | S | C | * | . | H | α-helix | trans | -57.7 | -39.7 | 178.9 | -70.4 | -11.4 | 0 | 0 | 0 | 112.1 | R134 S142 | R134-N138 WeakPolarHBondContact O-CB 3.05Å; R134-N138 PolarHBondContact O-N 3.31Å; R134-N138 PolarHBondContact O-ND2 3.42Å; N138-S142 WeakPolarHBondContact O-CB 3.31Å; N138-S142 PolarHBondContact O-N 2.9Å; N138-S142 PolarHBondContact O-OG 2.71Å |
| 139 | L | 93.6 | Very high | 93.3 | Very high | 41 Ų | 41 | 52.6 Ų | 52.6 | 22% | 0.215 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -63.9 | -53 | 176 | 177 | 58.8 | 0 | 0 | 0 | 111.2 | F81 V135 L136 C137 G141 S142 L143 L158 I162 | F81-L139 HydrophobicContact CD1-CD2 3.86Å; F81-L139 HydrophobicContact CE1-CD2 3.21Å; F81-L139 HydrophobicContact CE2-CD2 4.49Å; F81-L139 HydrophobicContact CZ-CD2 3.59Å; V135-L139 WeakPolarHBondContact O-CB 3.38Å; V135-L139 PolarHBondContact O-N 3Å; V135-L139 VanDerWaalsContact O-N 3.17Å; L136-L139 PolarHBondContact O-N 3.05Å; C137-L139 VanDerWaalsContact C-N 3.27Å; C137-L139 PolarHBondContact O-N 3.38Å; L139-G141 VanDerWaalsContact C-N 3.35Å; L139-G141 PolarHBondContact O-N 3.38Å; L139-S142 PolarHBondContact O-N 2.81Å; L139-S142 PolarHBondContact O-OG 2.86Å; L139-L143 WeakPolarHBondContact O-CG 3.34Å; L139-L143 PolarHBondContact O-N 3.06Å; L139-L158 HydrophobicContact CD2-CD2 4.36Å; L139-I162 HydrophobicContact CD2-CD1 3.78Å; L139-I162 HydrophobicContact CG-CD1 4.3Å |
| 140 | V | 95.3 | Very high | 93.2 | Very high | 0 Ų | 0 | 57.6 Ų | 57.6 | 0% | 0 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -63.6 | -40.2 | -178.8 | 173.2 | 0 | 0 | 0 | 0 | 111.5 | L136 C137 S142 L143 L144 I159 I162 W201 L204 | L136-V140 PolarHBondContact O-N 3.5Å; L136-V140 VanDerWaalsContact O-N 3.09Å; C137-V140 PolarHBondContact O-N 3.46Å; V140-S142 PolarHBondContact O-N 3.45Å; V140-L143 PolarHBondContact O-N 3.17Å; V140-L143 VanDerWaalsContact O-N 3.1Å; V140-L144 HydrophobicContact CG1-CD1 3.89Å; V140-L144 HydrophobicContact CG1-CG 4.18Å; V140-L144 WeakPolarHBondContact O-CG 3.4Å; V140-L144 PolarHBondContact O-N 3.03Å; V140-I159 HydrophobicContact CG1-CG1 4.43Å; V140-I159 HydrophobicContact CG1-CG2 4.06Å; V140-I162 HydrophobicContact CG2-CB 4.1Å; V140-I162 HydrophobicContact CG2-CD1 3.67Å; V140-I162 HydrophobicContact CG2-CG1 4.49Å; V140-I162 HydrophobicContact CG2-CG2 3.85Å; V140-W201 HydrophobicContact CB-CH2 4.3Å; V140-W201 HydrophobicContact CG2-CH2 4.04Å; V140-L204 HydrophobicContact CB-CD2 4.05Å; V140-L204 HydrophobicContact CG1-CD1 4.36Å; V140-L204 HydrophobicContact CG1-CD2 3.92Å; V140-L204 HydrophobicContact CG1-CG 4.48Å |
| 141 | G | 94.4 | Very high | 93 | Very high | 21 Ų | 21 | 54.2 Ų | 54.2 | 22% | 0.216 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -52.7 | -53.3 | 170.6 | 0 | 0 | 0 | 0 | 0 | 112 | C137 L139 L143 L144 D145 | C137-G141 PolarHBondContact O-N 2.89Å; L139-G141 VanDerWaalsContact C-N 3.35Å; L139-G141 PolarHBondContact O-N 3.38Å; G141-L143 PolarHBondContact O-N 2.88Å; G141-L144 CarbonylContact O-C 3.58Å; G141-L144 PolarHBondContact O-N 3.5Å; G141-D145 VanDerWaalsContact O-CG 3.31Å; G141-D145 PolarHBondContact O-N 3.25Å |
| 142 | S | 93 | Very high | 93 | Very high | 52 Ų | 52 | 52 Ų | 52 | 36% | 0.364 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -64.1 | -9.5 | 178.9 | 77.4 | 0 | 0 | 0 | 0 | 115.8 | N138 L139 V140 | N138-S142 WeakPolarHBondContact O-CB 3.31Å; N138-S142 PolarHBondContact O-N 2.9Å; N138-S142 PolarHBondContact O-OG 2.71Å; L139-S142 PolarHBondContact O-N 2.81Å; L139-S142 PolarHBondContact O-OG 2.86Å; V140-S142 PolarHBondContact O-N 3.45Å |
| 143 | L | 93.5 | Very high | 92.8 | Very high | 4 Ų | 4 | 58.6 Ų | 58.6 | 2% | 0.021 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -95.3 | -39.1 | 170.3 | -60.3 | -179.3 | 0 | 0 | 0 | 111.4 | L139 V140 G141 R146 R151 D155 L158 I159 | L139-L143 WeakPolarHBondContact O-CG 3.34Å; L139-L143 PolarHBondContact O-N 3.06Å; V140-L143 PolarHBondContact O-N 3.17Å; V140-L143 VanDerWaalsContact O-N 3.1Å; G141-L143 PolarHBondContact O-N 2.88Å; L143-R146 VanDerWaalsContact CD2-NH2 3.28Å; L143-R146 PolarHBondContact O-N 3.39Å; L143-R151 WeakPolarHBondContact O-CD 3.44Å; L143-R151 PolarHBondContact O-NE 3.46Å; L143-D155 HydrophobicContact CD2-CB 4.36Å; L143-D155 WeakPolarHBondContact CD2-OD1 3.43Å; L143-L158 HydrophobicContact CD1-CB 4.39Å; L143-L158 HydrophobicContact CD1-CD2 4.18Å; L143-L158 HydrophobicContact CD1-CG 4.22Å; L143-I159 HydrophobicContact CB-CD1 3.88Å; L143-I159 HydrophobicContact CB-CG1 4.04Å; L143-I159 HydrophobicContact CD1-CD1 4.4Å; L143-I159 HydrophobicContact CD1-CG1 3.74Å |
| 144 | L | 93.4 | Very high | 92.6 | Very high | 17 Ų | 17 | 65 Ų | 65 | 9% | 0.089 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -73.6 | -23.8 | 176.8 | -65.3 | 179.8 | 0 | 0 | 0 | 113.4 | V140 G141 R146 I159 L204 F207 L208 E214 | V140-L144 HydrophobicContact CG1-CD1 3.89Å; V140-L144 HydrophobicContact CG1-CG 4.18Å; V140-L144 WeakPolarHBondContact O-CG 3.4Å; V140-L144 PolarHBondContact O-N 3.03Å; G141-L144 CarbonylContact O-C 3.58Å; G141-L144 PolarHBondContact O-N 3.5Å; L144-R146 PolarHBondContact O-N 3.36Å; L144-R146 VanDerWaalsContact O-N 3.11Å; L144-I159 HydrophobicContact CD2-CD1 3.87Å; L144-I159 HydrophobicContact CG-CD1 4.44Å; L144-L204 HydrophobicContact CD1-CD1 3.72Å; L144-F207 HydrophobicContact CB-CE1 4.24Å; L144-F207 HydrophobicContact CD1-CD1 4.02Å; L144-F207 HydrophobicContact CD1-CE1 3.99Å; L144-L208 HydrophobicContact CD1-CD2 3.83Å; L144-L208 HydrophobicContact CD1-CG 4.15Å; L144-L208 HydrophobicContact CD2-CD2 4.31Å; L144-E214 HydrophobicContact CD2-CG 4.38Å; L144-E214 WeakPolarHBondContact CD2-OE2 3.28Å |
| 145 | D | 92.2 | Very high | 92.5 | Very high | 142 Ų | 142 | 62.1 Ų | 62.1 | 76% | 0.759 | 32% | 0.318 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.3 | -19.3 | 168.7 | -73.3 | -31.4 | 0 | 0 | 0 | 112.8 | G141 | G141-D145 VanDerWaalsContact O-CG 3.31Å; G141-D145 PolarHBondContact O-N 3.25Å |
| 146 | R | 91.6 | Very high | 92.4 | Very high | 80 Ų | 80 | 63.9 Ų | 63.9 | 30% | 0.302 | 32% | 0.321 | S | S | . | . | S | Bend | trans | -93.7 | 140.6 | 172.7 | -53 | -173.2 | -147.2 | 135.7 | 19.4 | 110.6 | L143 L144 E150 R151 D155 | L143-R146 VanDerWaalsContact CD2-NH2 3.28Å; L143-R146 PolarHBondContact O-N 3.39Å; L144-R146 PolarHBondContact O-N 3.36Å; L144-R146 VanDerWaalsContact O-N 3.11Å; R146-E150 HydrophobicContact CB-CB 4.41Å; R146-R151 HydrophobicContact CB-CG 4.28Å; R146-R151 PolarHBondContact O-NE 2.77Å; R146-R151 PolarHBondContact O-NH2 3.1Å; R146-D155 IonicContact CZ-OD1 3.24Å; R146-D155 VanDerWaalsContact NH1-CG 3.27Å; R146-D155 IonicContact NH1-OD1 2.78Å; R146-D155 PolarHBondContact NH1-OD1 3.08Å; R146-D155 IonicContact NH1-OD2 3.27Å; R146-D155 PolarHBondContact NH1-OD2 2.95Å; R146-D155 IonicContact NH2-OD1 3.34Å |
| 147 | S | 87 | Confident | 92.4 | Very high | 49 Ų | 49 | 66.5 Ų | 66.5 | 34% | 0.343 | 34% | 0.335 | S | S | . | . | trans | -54.4 | 151.9 | 175.8 | 76.3 | 0 | 0 | 0 | 0 | 111.6 | E149 E150 R151 | S147-E149 PolarHBondContact O-N 2.97Å; S147-E150 WeakPolarHBondContact CB-OE1 3.21Å; S147-E150 PolarHBondContact O-N 3.49Å; S147-E150 VanDerWaalsContact O-N 3.1Å; S147-E150 VanDerWaalsContact OG-CG 3.26Å; S147-E150 WeakPolarHBondContact OG-CG 3.48Å; S147-E150 PolarHBondContact OG-N 2.98Å; S147-E150 PolarHBondContact OG-OE1 3.34Å; S147-R151 PolarHBondContact O-N 2.62Å | ||
| 148 | W | 86.1 | Confident | 92.3 | Very high | 109 Ų | 109 | 66.6 Ų | 66.6 | 41% | 0.413 | 33% | 0.334 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61.7 | -28.5 | -175.9 | 81.9 | -88.2 | 0 | 0 | 0 | 112.1 | R156 D213 | W148-R156 PolarHBondContact O-NH2 3.27Å; W148-D213 HydrophobicContact CB-CB 4.09Å; W148-D213 VanDerWaalsContact CD1-CG 3.49Å; W148-D213 HydrophobicContact CG-CB 4.11Å |
| 149 | E | 88.9 | Confident | 92.4 | Very high | 144 Ų | 144 | 61.6 Ų | 61.6 | 67% | 0.673 | 31% | 0.307 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.9 | -36 | 176 | -58.4 | -167.3 | 172.3 | 0 | 0 | 113 | S147 | S147-E149 PolarHBondContact O-N 2.97Š|
| 150 | E | 91.5 | Very high | 92.5 | Very high | 137 Ų | 137 | 62.8 Ų | 62.8 | 64% | 0.64 | 31% | 0.312 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75.6 | -25.8 | 179.7 | -75.1 | 163.2 | -114.5 | 0 | 0 | 113.7 | R146 S147 S152 | R146-E150 HydrophobicContact CB-CB 4.41Å; S147-E150 WeakPolarHBondContact CB-OE1 3.21Å; S147-E150 PolarHBondContact O-N 3.49Å; S147-E150 VanDerWaalsContact O-N 3.1Å; S147-E150 VanDerWaalsContact OG-CG 3.26Å; S147-E150 WeakPolarHBondContact OG-CG 3.48Å; S147-E150 PolarHBondContact OG-N 2.98Å; S147-E150 PolarHBondContact OG-OE1 3.34Å; E150-S152 PolarHBondContact O-N 3.19Å |
| 151 | R | 91.8 | Very high | 92.5 | Very high | 7 Ų | 7 | 64.5 Ų | 64.5 | 3% | 0.026 | 32% | 0.319 | C | S | . | . | S | Bend | trans | -66 | 125.4 | 176.5 | -90.5 | 176.4 | -91.5 | 148.1 | -2.1 | 111.4 | L143 R146 S147 D155 R156 E214 | L143-R151 WeakPolarHBondContact O-CD 3.44Å; L143-R151 PolarHBondContact O-NE 3.46Å; R146-R151 HydrophobicContact CB-CG 4.28Å; R146-R151 PolarHBondContact O-NE 2.77Å; R146-R151 PolarHBondContact O-NH2 3.1Å; S147-R151 PolarHBondContact O-N 2.62Å; R151-D155 HydrophobicContact CB-CB 4.23Å; R151-D155 HydrophobicContact CG-CB 4.04Å; R151-R156 HydrophobicContact CB-CG 4.11Å; R151-R156 VanDerWaalsContact O-CZ 3.23Å; R151-R156 PolarHBondContact O-NE 2.69Å; R151-R156 PolarHBondContact O-NH2 3.42Å; R151-R156 VanDerWaalsContact O-NH2 3.12Å; R151-E214 IonicContact CZ-OE1 3.31Å; R151-E214 VanDerWaalsContact CZ-OE1 3.31Å; R151-E214 IonicContact CZ-OE2 2.9Å; R151-E214 VanDerWaalsContact NH1-CD 3.3Å; R151-E214 IonicContact NH1-OE1 3.71Å; R151-E214 PolarHBondContact NH1-OE1 3.47Å; R151-E214 VanDerWaalsContact NH1-OE1 3.07Å; R151-E214 IonicContact NH1-OE2 3.66Å; R151-E214 PolarHBondContact NH1-OE2 3.43Å; R151-E214 IonicContact NH2-OE1 2.68Å; R151-E214 PolarHBondContact NH2-OE1 3.48Å; R151-E214 IonicContact NH2-OE2 3.39Å |
| 152 | S | 92.3 | Very high | 92.7 | Very high | 49 Ų | 49 | 63.5 Ų | 63.5 | 34% | 0.343 | 31% | 0.308 | S | S | . | . | trans | -68.8 | 164.3 | 173.4 | 69.7 | 0 | 0 | 0 | 0 | 111.8 | E150 E154 D155 R156 | E150-S152 PolarHBondContact O-N 3.19Å; S152-E154 PolarHBondContact O-N 3.49Å; S152-E154 PolarHBondContact OG-N 2.97Å; S152-D155 VanDerWaalsContact CB-OD2 3.32Å; S152-D155 WeakPolarHBondContact CB-OD2 3.48Å; S152-D155 PolarHBondContact N-OD2 2.92Å; S152-D155 PolarHBondContact O-N 2.97Å; S152-D155 VanDerWaalsContact OG-CG 3.26Å; S152-D155 PolarHBondContact OG-N 2.83Å; S152-D155 PolarHBondContact OG-OD2 2.94Å; S152-R156 WeakPolarHBondContact O-CG 3.36Å; S152-R156 PolarHBondContact O-N 2.81Å | ||
| 153 | E | 91.6 | Very high | 92.9 | Very high | 140 Ų | 140 | 61 Ų | 61 | 65% | 0.654 | 29% | 0.291 | S | S | * | . | H | α-helix | trans | -58.6 | -34 | 172 | -168 | 173.4 | 177.3 | 0 | 0 | 111.4 | R156 L157 | E153-R156 PolarHBondContact O-N 2.75Å; E153-L157 HydrophobicContact CG-CD1 4.2Å; E153-L157 WeakPolarHBondContact O-CB 3.48Å; E153-L157 WeakPolarHBondContact O-CD1 3.18Å; E153-L157 WeakPolarHBondContact O-CG 3.45Å; E153-L157 PolarHBondContact O-N 3.23Å |
| 154 | E | 91.9 | Very high | 93 | Very high | 136 Ų | 136 | 62.3 Ų | 62.3 | 64% | 0.636 | 30% | 0.297 | S | S | * | . | H | α-helix | trans | -67.8 | -44.2 | 175 | -63.1 | 177.4 | 166.7 | 0 | 0 | 111.9 | S152 R156 L157 L158 | S152-E154 PolarHBondContact O-N 3.49Å; S152-E154 PolarHBondContact OG-N 2.97Å; E154-R156 PolarHBondContact O-N 3.32Å; E154-L157 PolarHBondContact O-N 2.88Å; E154-L158 WeakPolarHBondContact O-CB 3.25Å; E154-L158 PolarHBondContact O-N 3.14Å |
| 155 | D | 93.2 | Very high | 93.2 | Very high | 22 Ų | 22 | 61.5 Ų | 61.5 | 12% | 0.118 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -60.5 | -43.7 | 174 | -61.9 | -76 | 0 | 0 | 0 | 111.1 | L143 R146 R151 S152 L158 I159 | L143-D155 HydrophobicContact CD2-CB 4.36Å; L143-D155 WeakPolarHBondContact CD2-OD1 3.43Å; R146-D155 IonicContact CZ-OD1 3.24Å; R146-D155 VanDerWaalsContact NH1-CG 3.27Å; R146-D155 IonicContact NH1-OD1 2.78Å; R146-D155 PolarHBondContact NH1-OD1 3.08Å; R146-D155 IonicContact NH1-OD2 3.27Å; R146-D155 PolarHBondContact NH1-OD2 2.95Å; R146-D155 IonicContact NH2-OD1 3.34Å; R151-D155 HydrophobicContact CB-CB 4.23Å; R151-D155 HydrophobicContact CG-CB 4.04Å; S152-D155 VanDerWaalsContact CB-OD2 3.32Å; S152-D155 WeakPolarHBondContact CB-OD2 3.48Å; S152-D155 PolarHBondContact N-OD2 2.92Å; S152-D155 PolarHBondContact O-N 2.97Å; S152-D155 VanDerWaalsContact OG-CG 3.26Å; S152-D155 PolarHBondContact OG-N 2.83Å; S152-D155 PolarHBondContact OG-OD2 2.94Å; D155-L158 PolarHBondContact O-N 3.1Å; D155-I159 WeakPolarHBondContact O-CG1 3.27Å; D155-I159 PolarHBondContact O-N 3.36Å; D155-I159 VanDerWaalsContact O-N 3.13Å |
| 156 | R | 93.6 | Very high | 93.4 | Very high | 71 Ų | 71 | 54.9 Ų | 54.9 | 27% | 0.268 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -65.7 | -45.3 | -180 | -66.4 | 175.9 | -169.9 | 144.8 | 3.2 | 111.8 | W148 R151 S152 E153 E154 L158 I159 E160 M216 | W148-R156 PolarHBondContact O-NH2 3.27Å; R151-R156 HydrophobicContact CB-CG 4.11Å; R151-R156 VanDerWaalsContact O-CZ 3.23Å; R151-R156 PolarHBondContact O-NE 2.69Å; R151-R156 PolarHBondContact O-NH2 3.42Å; R151-R156 VanDerWaalsContact O-NH2 3.12Å; S152-R156 WeakPolarHBondContact O-CG 3.36Å; S152-R156 PolarHBondContact O-N 2.81Å; E153-R156 PolarHBondContact O-N 2.75Å; E154-R156 PolarHBondContact O-N 3.32Å; R156-L158 VanDerWaalsContact C-N 3.27Å; R156-L158 PolarHBondContact O-N 3.34Å; R156-I159 PolarHBondContact O-N 3.27Å; R156-E160 PolarHBondContact O-N 3.34Å; R156-M216 HydrophobicContact CB-CE 4.16Å; R156-M216 HydrophobicContact CG-CE 3.77Å |
| 157 | L | 94.4 | Very high | 93.6 | Very high | 57 Ų | 57 | 53 Ų | 53 | 30% | 0.298 | 25% | 0.25 | S | S | . | . | H | α-helix | trans | -61.9 | -33.9 | 174.3 | -75.1 | 168.2 | 0 | 0 | 0 | 111.7 | E153 E154 E160 R161 | E153-L157 HydrophobicContact CG-CD1 4.2Å; E153-L157 WeakPolarHBondContact O-CB 3.48Å; E153-L157 WeakPolarHBondContact O-CD1 3.18Å; E153-L157 WeakPolarHBondContact O-CG 3.45Å; E153-L157 PolarHBondContact O-N 3.23Å; E154-L157 PolarHBondContact O-N 2.88Å; L157-E160 PolarHBondContact O-N 2.68Å; L157-R161 VanDerWaalsContact O-CB 3.23Å; L157-R161 WeakPolarHBondContact O-CB 3.47Å; L157-R161 VanDerWaalsContact O-CD 3.25Å; L157-R161 WeakPolarHBondContact O-CD 3.43Å; L157-R161 WeakPolarHBondContact O-CG 3.49Å; L157-R161 PolarHBondContact O-N 3.44Å |
| 158 | L | 94.8 | Very high | 94.1 | Very high | 15 Ų | 15 | 50.8 Ų | 50.8 | 8% | 0.079 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -67.4 | -42.2 | 176 | -178.3 | 50.6 | 0 | 0 | 0 | 112.2 | E82 L139 L143 E154 D155 R156 R161 I162 | E82-L158 HydrophobicContact CG-CD1 4.08Å; E82-L158 HydrophobicContact CG-CD2 4.17Å; L139-L158 HydrophobicContact CD2-CD2 4.36Å; L143-L158 HydrophobicContact CD1-CB 4.39Å; L143-L158 HydrophobicContact CD1-CD2 4.18Å; L143-L158 HydrophobicContact CD1-CG 4.22Å; E154-L158 WeakPolarHBondContact O-CB 3.25Å; E154-L158 PolarHBondContact O-N 3.14Å; D155-L158 PolarHBondContact O-N 3.1Å; R156-L158 VanDerWaalsContact C-N 3.27Å; R156-L158 PolarHBondContact O-N 3.34Å; L158-R161 PolarHBondContact O-N 3Å; L158-I162 HydrophobicContact CD1-CD1 3.95Å; L158-I162 HydrophobicContact CD1-CG1 4.27Å; L158-I162 HydrophobicContact CG-CD1 4.17Å; L158-I162 WeakPolarHBondContact O-CG1 3.29Å; L158-I162 PolarHBondContact O-N 2.92Å; L158-I162 VanDerWaalsContact O-N 3.08Å |
| 159 | I | 95.8 | Very high | 94.6 | Very high | 0 Ų | 0 | 45.6 Ų | 45.6 | 0% | 0 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -60.2 | -50 | 172.7 | -60.6 | 163.6 | 0 | 0 | 0 | 110.1 | V140 L143 L144 D155 R156 R161 I162 L163 F217 | V140-I159 HydrophobicContact CG1-CG1 4.43Å; V140-I159 HydrophobicContact CG1-CG2 4.06Å; L143-I159 HydrophobicContact CB-CD1 3.88Å; L143-I159 HydrophobicContact CB-CG1 4.04Å; L143-I159 HydrophobicContact CD1-CD1 4.4Å; L143-I159 HydrophobicContact CD1-CG1 3.74Å; L144-I159 HydrophobicContact CD2-CD1 3.87Å; L144-I159 HydrophobicContact CG-CD1 4.44Å; D155-I159 WeakPolarHBondContact O-CG1 3.27Å; D155-I159 PolarHBondContact O-N 3.36Å; D155-I159 VanDerWaalsContact O-N 3.13Å; R156-I159 PolarHBondContact O-N 3.27Å; I159-R161 VanDerWaalsContact C-N 3.32Å; I159-R161 PolarHBondContact O-N 2.89Å; I159-I162 PolarHBondContact O-N 3.4Å; I159-I162 VanDerWaalsContact O-N 3.15Å; I159-L163 HydrophobicContact CG2-CD1 4.04Å; I159-L163 HydrophobicContact CG2-CG 4.37Å; I159-L163 WeakPolarHBondContact O-CG 3.5Å; I159-L163 PolarHBondContact O-N 3.49Å; I159-F217 HydrophobicContact CB-CE1 4.1Å; I159-F217 HydrophobicContact CB-CE2 4.19Å; I159-F217 HydrophobicContact CB-CZ 3.59Å; I159-F217 HydrophobicContact CD1-CE2 4.13Å; I159-F217 HydrophobicContact CD1-CZ 4.06Å; I159-F217 HydrophobicContact CG1-CZ 4.44Å; I159-F217 HydrophobicContact CG2-CD1 4.37Å; I159-F217 HydrophobicContact CG2-CD2 4.21Å; I159-F217 HydrophobicContact CG2-CE1 3.85Å; I159-F217 HydrophobicContact CG2-CE2 3.64Å; I159-F217 HydrophobicContact CG2-CZ 3.43Å; I159-F217 VanDerWaalsContact CG2-CZ 3.43Å |
| 160 | E | 95.5 | Very high | 94.9 | Very high | 66 Ų | 66 | 38.8 Ų | 38.8 | 31% | 0.308 | 18% | 0.183 | S | C | . | . | H | α-helix | trans | -56 | -45.9 | 178.8 | -165.3 | -174.2 | -175.5 | 0 | 0 | 111.9 | R156 L157 I162 L163 I164 F217 H220 | R156-E160 PolarHBondContact O-N 3.34Å; L157-E160 PolarHBondContact O-N 2.68Å; E160-I162 VanDerWaalsContact C-N 3.35Å; E160-I162 PolarHBondContact O-N 2.72Å; E160-L163 PolarHBondContact O-N 3.02Å; E160-I164 HydrophobicContact CG-CD1 3.95Å; E160-I164 WeakPolarHBondContact O-CB 3.2Å; E160-I164 VanDerWaalsContact O-CG1 3.3Å; E160-I164 WeakPolarHBondContact O-CG1 3.32Å; E160-I164 PolarHBondContact O-N 2.85Å; E160-F217 HydrophobicContact CB-CE1 4.06Å; E160-H220 IonicContact OE1-CE1 3.99Å; E160-H220 PolarHBondContact OE1-CE1 3.41Å |
| 161 | R | 97.1 | Very high | 95 | Very high | 37 Ų | 37 | 35.7 Ų | 35.7 | 14% | 0.14 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -58.7 | -41.8 | 177.1 | -76.8 | 166.7 | -170.4 | 169.5 | 6.9 | 112.7 | E82 I85 M89 L157 L158 I159 L165 | E82-R161 IonicContact OE2-NH1 2.68Å; E82-R161 PolarHBondContact OE2-NH1 2.89Å; E82-R161 VanDerWaalsContact OE2-NH1 3.14Å; I85-R161 HydrophobicContact CG2-CB 4Å; M89-R161 HydrophobicContact CE-CB 4Å; M89-R161 HydrophobicContact CE-CG 3.82Å; M89-R161 VanDerWaalsContact SD-CA 3.57Å; M89-R161 HydrophobicContact SD-CB 3.36Å; M89-R161 WeakPolarHBondContact SD-CB 3.46Å; M89-R161 HydrophobicContact SD-CG 3.5Å; M89-R161 WeakPolarHBondContact SD-CG 3.36Å; M89-R161 VanDerWaalsContact SD-O 3.41Å; L157-R161 VanDerWaalsContact O-CB 3.23Å; L157-R161 WeakPolarHBondContact O-CB 3.47Å; L157-R161 VanDerWaalsContact O-CD 3.25Å; L157-R161 WeakPolarHBondContact O-CD 3.43Å; L157-R161 WeakPolarHBondContact O-CG 3.49Å; L157-R161 PolarHBondContact O-N 3.44Å; L158-R161 PolarHBondContact O-N 3Å; I159-R161 VanDerWaalsContact C-N 3.32Å; I159-R161 PolarHBondContact O-N 2.89Å; R161-L165 PolarHBondContact O-N 2.77Å |
| 162 | I | 97 | Very high | 95 | Very high | 0 Ų | 0 | 35.6 Ų | 35.6 | 0% | 0 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -69.8 | -42.1 | 178.2 | -66.8 | 165.4 | 0 | 0 | 0 | 110.8 | I85 L136 L139 V140 L158 I159 E160 L165 I166 W201 | I85-I162 HydrophobicContact CD1-CG1 4.41Å; I85-I162 HydrophobicContact CG2-CG1 4.34Å; L136-I162 HydrophobicContact CB-CG2 4.26Å; L136-I162 HydrophobicContact CD2-CG1 4.38Å; L136-I162 HydrophobicContact CD2-CG2 4.24Å; L139-I162 HydrophobicContact CD2-CD1 3.78Å; L139-I162 HydrophobicContact CG-CD1 4.3Å; V140-I162 HydrophobicContact CG2-CB 4.1Å; V140-I162 HydrophobicContact CG2-CD1 3.67Å; V140-I162 HydrophobicContact CG2-CG1 4.49Å; V140-I162 HydrophobicContact CG2-CG2 3.85Å; L158-I162 HydrophobicContact CD1-CD1 3.95Å; L158-I162 HydrophobicContact CD1-CG1 4.27Å; L158-I162 HydrophobicContact CG-CD1 4.17Å; L158-I162 WeakPolarHBondContact O-CG1 3.29Å; L158-I162 PolarHBondContact O-N 2.92Å; L158-I162 VanDerWaalsContact O-N 3.08Å; I159-I162 PolarHBondContact O-N 3.4Å; I159-I162 VanDerWaalsContact O-N 3.15Å; E160-I162 VanDerWaalsContact C-N 3.35Å; E160-I162 PolarHBondContact O-N 2.72Å; I162-L165 WeakPolarHBondContact O-CB 3.45Å; I162-L165 PolarHBondContact O-N 2.96Å; I162-I166 HydrophobicContact CG2-CD1 4.12Å; I162-I166 WeakPolarHBondContact O-CG1 3.48Å; I162-I166 PolarHBondContact O-N 3.37Å; I162-W201 HydrophobicContact CG2-CH2 3.87Å; I162-W201 HydrophobicContact CG2-CZ2 4.07Å |
| 163 | L | 97.3 | Very high | 94.7 | Very high | 0 Ų | 0 | 35.3 Ų | 35.3 | 0% | 0 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -62.2 | -43.7 | 175.1 | -64.8 | 174.8 | 0 | 0 | 0 | 111.6 | I159 E160 L165 I166 R167 W201 L208 F217 H220 I224 | I159-L163 HydrophobicContact CG2-CD1 4.04Å; I159-L163 HydrophobicContact CG2-CG 4.37Å; I159-L163 WeakPolarHBondContact O-CG 3.5Å; I159-L163 PolarHBondContact O-N 3.49Å; E160-L163 PolarHBondContact O-N 3.02Å; L163-L165 VanDerWaalsContact C-N 3.31Å; L163-L165 PolarHBondContact O-N 3.33Å; L163-I166 PolarHBondContact O-N 3.04Å; L163-R167 VanDerWaalsContact O-CB 3.25Å; L163-R167 WeakPolarHBondContact O-CB 3.31Å; L163-R167 PolarHBondContact O-N 3.17Å; L163-W201 HydrophobicContact CD2-CZ3 3.96Å; L163-L208 HydrophobicContact CD1-CD1 4.45Å; L163-L208 HydrophobicContact CD2-CD1 4.04Å; L163-F217 HydrophobicContact CD1-CB 3.91Å; L163-F217 HydrophobicContact CD1-CD1 3.82Å; L163-F217 HydrophobicContact CD1-CG 3.89Å; L163-H220 HydrophobicContact CB-CB 4.08Å; L163-H220 HydrophobicContact CD1-CB 4.17Å; L163-I224 HydrophobicContact CB-CD1 4.04Å; L163-I224 HydrophobicContact CD2-CD1 3.72Å; L163-I224 HydrophobicContact CG-CD1 4.48Å |
| 164 | I | 96.1 | Very high | 94.1 | Very high | 30 Ų | 30 | 30.5 Ų | 30.5 | 15% | 0.154 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -61.5 | -38.2 | 174.7 | -70.3 | 166.3 | 0 | 0 | 0 | 111.5 | M89 E160 N168 H220 | M89-I164 HydrophobicContact CE-CB 3.92Å; M89-I164 HydrophobicContact CE-CD1 4.16Å; M89-I164 HydrophobicContact CE-CG2 3.67Å; E160-I164 HydrophobicContact CG-CD1 3.95Å; E160-I164 WeakPolarHBondContact O-CB 3.2Å; E160-I164 VanDerWaalsContact O-CG1 3.3Å; E160-I164 WeakPolarHBondContact O-CG1 3.32Å; E160-I164 PolarHBondContact O-N 2.85Å; I164-N168 WeakPolarHBondContact O-CB 3.2Å; I164-N168 PolarHBondContact O-N 2.86Å; I164-N168 PolarHBondContact O-OD1 2.76Å; I164-H220 WeakPolarHBondContact CG1-NE2 3.35Å |
| 165 | L | 97.4 | Very high | 93.5 | Very high | 1 Ų | 1 | 25.8 Ų | 25.8 | 1% | 0.005 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -63.1 | -48.6 | 176.1 | 178.5 | 58.2 | 0 | 0 | 0 | 111.7 | I85 L88 M89 T92 F127 R161 I162 L163 N168 V169 | I85-L165 HydrophobicContact CD1-CD2 3.96Å; L88-L165 HydrophobicContact CB-CD1 3.86Å; L88-L165 HydrophobicContact CB-CD2 4.12Å; L88-L165 HydrophobicContact CD1-CD2 4.43Å; M89-L165 HydrophobicContact CG-CB 4Å; T92-L165 HydrophobicContact CG2-CD1 4.05Å; F127-L165 HydrophobicContact CE1-CD1 4.38Å; F127-L165 HydrophobicContact CE1-CD2 4.33Å; F127-L165 HydrophobicContact CE1-CG 4.34Å; F127-L165 HydrophobicContact CZ-CD1 3.91Å; F127-L165 HydrophobicContact CZ-CD2 4.33Å; F127-L165 HydrophobicContact CZ-CG 4.33Å; R161-L165 PolarHBondContact O-N 2.77Å; I162-L165 WeakPolarHBondContact O-CB 3.45Å; I162-L165 PolarHBondContact O-N 2.96Å; L163-L165 VanDerWaalsContact C-N 3.31Å; L163-L165 PolarHBondContact O-N 3.33Å; L165-N168 WeakPolarHBondContact O-CB 3.49Å; L165-N168 PolarHBondContact O-N 3.28Å; L165-V169 HydrophobicContact CD1-CG2 4.43Å; L165-V169 WeakPolarHBondContact O-CG2 3.38Å; L165-V169 PolarHBondContact O-N 2.88Å |
| 166 | I | 97.3 | Very high | 92.5 | Very high | 3 Ų | 3 | 28.7 Ų | 28.7 | 2% | 0.015 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -62.9 | -44.6 | 178.3 | -66.4 | 171.9 | 0 | 0 | 0 | 110.5 | F133 I162 L163 N168 V169 L170 M196 W201 I224 | F133-I166 HydrophobicContact CE1-CD1 4.25Å; F133-I166 HydrophobicContact CE1-CG1 4.01Å; F133-I166 HydrophobicContact CE1-CG2 4.28Å; I162-I166 HydrophobicContact CG2-CD1 4.12Å; I162-I166 WeakPolarHBondContact O-CG1 3.48Å; I162-I166 PolarHBondContact O-N 3.37Å; L163-I166 PolarHBondContact O-N 3.04Å; I166-N168 VanDerWaalsContact C-N 3.35Å; I166-N168 PolarHBondContact O-N 3.45Å; I166-V169 PolarHBondContact O-N 2.67Å; I166-L170 HydrophobicContact CG2-CD1 3.91Å; I166-L170 HydrophobicContact CG2-CG 4.47Å; I166-L170 WeakPolarHBondContact O-CG 3.4Å; I166-L170 PolarHBondContact O-N 2.7Å; I166-M196 HydrophobicContact CG2-CE 4.16Å; I166-M196 HydrophobicContact CG2-SD 4.42Å; I166-W201 HydrophobicContact CD1-CD2 3.86Å; I166-W201 HydrophobicContact CD1-CE3 3.86Å; I166-W201 HydrophobicContact CD1-CH2 3.36Å; I166-W201 HydrophobicContact CD1-CZ2 3.35Å; I166-W201 HydrophobicContact CD1-CZ3 3.62Å; I166-I224 HydrophobicContact CB-CD1 4.44Å; I166-I224 HydrophobicContact CG2-CD1 4.3Å; I166-I224 HydrophobicContact CG2-CG1 4.35Å; I166-I224 HydrophobicContact CG2-CG2 4.27Å |
| 167 | R | 96 | Very high | 91.5 | Very high | 39 Ų | 39 | 31 Ų | 31 | 15% | 0.147 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -56.4 | -45.8 | 173.6 | 177.2 | -88.1 | -118.2 | 129.7 | 17.9 | 112.1 | L163 L170 H171 E223 I224 L227 | L163-R167 VanDerWaalsContact O-CB 3.25Å; L163-R167 WeakPolarHBondContact O-CB 3.31Å; L163-R167 PolarHBondContact O-N 3.17Å; R167-L170 PolarHBondContact O-N 2.91Å; R167-H171 VanDerWaalsContact O-CB 3.23Å; R167-H171 WeakPolarHBondContact O-CB 3.17Å; R167-H171 PolarHBondContact O-N 3.27Å; R167-E223 HydrophobicContact CG-CB 3.89Å; R167-E223 IonicContact CZ-OE1 2.65Å; R167-E223 IonicContact CZ-OE2 3.18Å; R167-E223 VanDerWaalsContact NE-CD 3.32Å; R167-E223 IonicContact NE-OE1 3.34Å; R167-E223 PolarHBondContact NE-OE1 3.04Å; R167-E223 IonicContact NE-OE2 2.67Å; R167-E223 PolarHBondContact NE-OE2 3.3Å; R167-E223 IonicContact NH2-OE1 2.74Å; R167-E223 PolarHBondContact NH2-OE1 3Å; R167-E223 IonicContact NH2-OE2 3.72Å; R167-I224 HydrophobicContact CB-CG1 3.91Å; R167-L227 HydrophobicContact CG-CD1 3.86Å; R167-L227 WeakPolarHBondContact O-CD1 3.14Å |
| 168 | N | 96.1 | Very high | 90.2 | Very high | 3 Ų | 3 | 30.7 Ų | 30.7 | 2% | 0.016 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -60.6 | -49.5 | 177.2 | -77.9 | -1.6 | 0 | 0 | 0 | 111.4 | M89 T92 I164 L165 I166 L170 H171 I172 | M89-N168 PolarHBondContact O-ND2 2.85Å; T92-N168 WeakPolarHBondContact OG1-CB 3.37Å; T92-N168 PolarHBondContact OG1-ND2 3.12Å; I164-N168 WeakPolarHBondContact O-CB 3.2Å; I164-N168 PolarHBondContact O-N 2.86Å; I164-N168 PolarHBondContact O-OD1 2.76Å; L165-N168 WeakPolarHBondContact O-CB 3.49Å; L165-N168 PolarHBondContact O-N 3.28Å; I166-N168 VanDerWaalsContact C-N 3.35Å; I166-N168 PolarHBondContact O-N 3.45Å; N168-L170 PolarHBondContact O-N 3.39Å; N168-H171 WeakPolarHBondContact O-CB 3.35Å; N168-H171 PolarHBondContact O-N 3.44Å; N168-H171 VanDerWaalsContact O-N 3.14Å; N168-I172 WeakPolarHBondContact O-CG1 3.5Å; N168-I172 PolarHBondContact O-N 3.35Å |
| 169 | V | 96.7 | Very high | 89.1 | Confident | 1 Ų | 1 | 31.6 Ų | 31.6 | 1% | 0.006 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -59.6 | -43.6 | 180 | 169.9 | 0 | 0 | 0 | 0 | 111.8 | T92 K124 F127 L165 I166 I192 | T92-V169 HydrophobicContact CG2-CG2 4.14Å; K124-V169 WeakPolarHBondContact CE-O 3.44Å; F127-V169 HydrophobicContact CB-CG1 3.72Å; F127-V169 HydrophobicContact CB-CG2 4.36Å; F127-V169 HydrophobicContact CD1-CG1 4.28Å; F127-V169 HydrophobicContact CD1-CG2 3.73Å; F127-V169 HydrophobicContact CD2-CG2 3.79Å; F127-V169 HydrophobicContact CE1-CG2 3.87Å; F127-V169 HydrophobicContact CE2-CG2 3.94Å; F127-V169 HydrophobicContact CG-CG1 3.98Å; F127-V169 HydrophobicContact CG-CG2 3.69Å; F127-V169 HydrophobicContact CZ-CG2 3.98Å; L165-V169 HydrophobicContact CD1-CG2 4.43Å; L165-V169 WeakPolarHBondContact O-CG2 3.38Å; L165-V169 PolarHBondContact O-N 2.88Å; I166-V169 PolarHBondContact O-N 2.67Å; V169-I192 HydrophobicContact CG1-CD1 3.92Å |
| 170 | L | 95.6 | Very high | 87.5 | Confident | 0 Ų | 0 | 39.4 Ų | 39.4 | 0% | 0 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -66.8 | -38.9 | 175.4 | -67.6 | 169.6 | 0 | 0 | 0 | 111.9 | K124 I166 R167 N168 I172 I192 M196 I224 L227 M228 R230 | K124-L170 PolarHBondContact NZ-O 3.13Å; I166-L170 HydrophobicContact CG2-CD1 3.91Å; I166-L170 HydrophobicContact CG2-CG 4.47Å; I166-L170 WeakPolarHBondContact O-CG 3.4Å; I166-L170 PolarHBondContact O-N 2.7Å; R167-L170 PolarHBondContact O-N 2.91Å; N168-L170 PolarHBondContact O-N 3.39Å; L170-I172 VanDerWaalsContact C-N 3.3Å; L170-I172 PolarHBondContact O-N 3.07Å; L170-I192 HydrophobicContact CD2-CG2 3.74Å; L170-M196 HydrophobicContact CD1-SD 4.27Å; L170-M196 HydrophobicContact CD2-SD 4.23Å; L170-I224 HydrophobicContact CD1-CG2 3.84Å; L170-L227 HydrophobicContact CB-CB 3.75Å; L170-L227 HydrophobicContact CB-CD1 4.44Å; L170-L227 HydrophobicContact CD1-CB 4.5Å; L170-M228 HydrophobicContact CD1-CG 3.88Å; L170-R230 VanDerWaalsContact O-CZ 3.31Å; L170-R230 PolarHBondContact O-NH1 3.04Å |
| 171 | H | 93.6 | Very high | 86 | Confident | 72 Ų | 72 | 41.3 Ų | 41.3 | 33% | 0.333 | 23% | 0.225 | S | C | . | . | H | α-helix | trans | -61.9 | -30.8 | 179.5 | -176.1 | -73.2 | 0 | 0 | 0 | 113.5 | R167 N168 A173 L227 R230 | R167-H171 VanDerWaalsContact O-CB 3.23Å; R167-H171 WeakPolarHBondContact O-CB 3.17Å; R167-H171 PolarHBondContact O-N 3.27Å; N168-H171 WeakPolarHBondContact O-CB 3.35Å; N168-H171 PolarHBondContact O-N 3.44Å; N168-H171 VanDerWaalsContact O-N 3.14Å; H171-A173 PolarHBondContact O-N 3.03Å; H171-L227 HydrophobicContact CB-CD1 3.94Å; H171-L227 HydrophobicContact CB-CD2 4.38Å; H171-R230 PolarHBondContact O-NH1 2.93Å |
| 172 | I | 93.1 | Very high | 84.5 | Confident | 6 Ų | 6 | 44.2 Ų | 44.2 | 3% | 0.031 | 25% | 0.247 | C | C | . | . | S | Bend | trans | -53.2 | 130.7 | -179.4 | -65.8 | 164.2 | 0 | 0 | 0 | 111.3 | L120 K121 K124 N168 L170 R230 | L120-I172 HydrophobicContact CB-CD1 4.04Å; L120-I172 HydrophobicContact CB-CG1 4.05Å; L120-I172 HydrophobicContact CB-CG2 4Å; L120-I172 HydrophobicContact CD2-CD1 4.02Å; L120-I172 HydrophobicContact CD2-CG1 4.31Å; K121-I172 HydrophobicContact CG-CG2 4.46Å; K124-I172 HydrophobicContact CB-CB 4.33Å; K124-I172 HydrophobicContact CB-CD1 4.33Å; K124-I172 HydrophobicContact CB-CG2 3.98Å; K124-I172 HydrophobicContact CD-CB 3.99Å; K124-I172 HydrophobicContact CD-CG2 4.06Å; K124-I172 PolarHBondContact NZ-O 3Å; K124-I172 VanDerWaalsContact NZ-O 3.09Å; N168-I172 WeakPolarHBondContact O-CG1 3.5Å; N168-I172 PolarHBondContact O-N 3.35Å; L170-I172 VanDerWaalsContact C-N 3.3Å; L170-I172 PolarHBondContact O-N 3.07Å; I172-R230 VanDerWaalsContact O-CZ 3.28Å; I172-R230 PolarHBondContact O-NH1 2.97Å; I172-R230 PolarHBondContact O-NH2 3.3Å |
| 173 | A | 84 | Confident | 83 | Confident | 43 Ų | 43 | 47.2 Ų | 47.2 | 36% | 0.355 | 26% | 0.262 | S | S | . | . | P | Polyproline II helix | trans | -65.8 | 149 | -170.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | H171 | H171-A173 PolarHBondContact O-N 3.03Š|
| 174 | P | 79.4 | Confident | 81.6 | Confident | 39 Ų | 39 | 51.9 Ų | 51.9 | 25% | 0.253 | 28% | 0.284 | S | S | . | . | P | Polyproline II helix | trans | -74.9 | 139.2 | 179.5 | 31.1 | -32.3 | 0 | 0 | 0 | 111.5 | V176 I355 | P174-V176 HydrophobicContact CG-CG2 4.43Å; P174-V176 PolarHBondContact O-N 3.32Å; P174-V176 VanDerWaalsContact O-N 3.12Å; P174-I355 HydrophobicContact CG-CD1 4.38Å; P174-I355 HydrophobicContact CG-CG2 4.47Å |
| 175 | D | 80.6 | Confident | 80.7 | Confident | 37 Ų | 37 | 53.4 Ų | 53.4 | 20% | 0.198 | 29% | 0.293 | C | S | . | . | trans | -89.6 | 69.3 | -177.8 | -176.3 | 10.9 | 0 | 0 | 0 | 111.2 | K121 K125 V177 G178 E179 | K121-D175 HydrophobicContact CD-CB 4.16Å; K121-D175 HydrophobicContact CG-CB 4.47Å; K125-D175 IonicContact NZ-OD2 3.56Å; K125-D175 PolarHBondContact NZ-OD2 3.19Å; D175-V177 PolarHBondContact O-N 3.23Å; D175-G178 PolarHBondContact O-N 2.87Å; D175-G178 WeakPolarHBondContact OD1-CA 3.49Å; D175-G178 PolarHBondContact OD1-N 2.76Å; D175-G178 WeakPolarHBondContact OD2-CA 3.27Å; D175-E179 HydrophobicContact CB-CG 4.48Å; D175-E179 WeakPolarHBondContact O-CB 3.4Å; D175-E179 WeakPolarHBondContact O-CG 3.48Å; D175-E179 PolarHBondContact O-N 3.46Å | ||
| 176 | V | 71.6 | Confident | 80 | Confident | 83 Ų | 83 | 56.2 Ų | 56.2 | 50% | 0.503 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -57.6 | -26.8 | -175.6 | -173 | 0 | 0 | 0 | 0 | 112.9 | P174 I355 | P174-V176 HydrophobicContact CG-CG2 4.43Å; P174-V176 PolarHBondContact O-N 3.32Å; P174-V176 VanDerWaalsContact O-N 3.12Å; V176-I355 HydrophobicContact CG2-CD1 3.87Å; V176-I355 HydrophobicContact CG2-CG1 4.36Å; V176-I355 HydrophobicContact CG2-CG2 3.8Å |
| 177 | V | 72.1 | Confident | 79.6 | Confident | 120 Ų | 120 | 56.2 Ų | 56.2 | 73% | 0.727 | 31% | 0.31 | S | S | * | . | H | α-helix | trans | -89.6 | -35.9 | -177.8 | -176.4 | 0 | 0 | 0 | 0 | 112.1 | D175 Q180 | D175-V177 PolarHBondContact O-N 3.23Å; V177-Q180 WeakPolarHBondContact O-CG 3.38Å; V177-Q180 PolarHBondContact O-NE2 2.82Å |
| 178 | G | 67.3 | Low | 79.3 | Confident | 49 Ų | 49 | 54.7 Ų | 54.7 | 51% | 0.505 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -81.6 | -30.3 | 176.1 | 0 | 0 | 0 | 0 | 0 | 114.1 | D175 | D175-G178 PolarHBondContact O-N 2.87Å; D175-G178 WeakPolarHBondContact OD1-CA 3.49Å; D175-G178 PolarHBondContact OD1-N 2.76Å; D175-G178 WeakPolarHBondContact OD2-CA 3.27Å |
| 179 | E | 70.9 | Confident | 79.1 | Confident | 35 Ų | 35 | 54.7 Ų | 54.7 | 16% | 0.164 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -77.3 | -40.3 | 176.9 | -69.6 | -169.8 | -124.6 | 0 | 0 | 112.5 | D175 R181 S187 V188 | D175-E179 HydrophobicContact CB-CG 4.48Å; D175-E179 WeakPolarHBondContact O-CB 3.4Å; D175-E179 WeakPolarHBondContact O-CG 3.48Å; D175-E179 PolarHBondContact O-N 3.46Å; E179-R181 HydrophobicContact CB-CG 4.41Å; E179-R181 WeakPolarHBondContact O-CG 3.22Å; E179-R181 PolarHBondContact O-N 2.8Å; E179-R181 IonicContact OE2-CZ 2.73Å; E179-R181 IonicContact OE2-NH1 3.62Å; E179-R181 PolarHBondContact OE2-NH1 3.3Å; E179-S187 VanDerWaalsContact OE2-CA 3.32Å; E179-S187 WeakPolarHBondContact OE2-CA 3.22Å; E179-V188 HydrophobicContact CG-CG2 4.41Å; E179-V188 PolarHBondContact OE2-N 2.84Å |
| 180 | Q | 62 | Low | 78.9 | Confident | 164 Ų | 164 | 54.7 Ų | 54.7 | 77% | 0.766 | 31% | 0.305 | S | S | * | . | trans | 54 | 12.7 | -177.8 | -54.1 | -170 | 21.4 | 0 | 0 | 116.1 | V177 | V177-Q180 WeakPolarHBondContact O-CG 3.38Å; V177-Q180 PolarHBondContact O-NE2 2.82Å | ||
| 181 | R | 65.2 | Low | 78.8 | Confident | 106 Ų | 106 | 58.1 Ų | 58.1 | 40% | 0.4 | 32% | 0.321 | S | S | . | . | P | Polyproline II helix | trans | -72.5 | 144 | -175.9 | -72.9 | 172.5 | -177.4 | 148.2 | -9.7 | 112.7 | E179 D185 V186 | E179-R181 HydrophobicContact CB-CG 4.41Å; E179-R181 WeakPolarHBondContact O-CG 3.22Å; E179-R181 PolarHBondContact O-N 2.8Å; E179-R181 IonicContact OE2-CZ 2.73Å; E179-R181 IonicContact OE2-NH1 3.62Å; E179-R181 PolarHBondContact OE2-NH1 3.3Å; R181-D185 HydrophobicContact CB-CB 4.05Å; R181-D185 HydrophobicContact CG-CB 4.12Å; R181-V186 WeakPolarHBondContact CD-O 3.13Å; R181-V186 PolarHBondContact NE-O 3.47Å; R181-V186 PolarHBondContact NH1-O 2.81Å |
| 182 | T | 65 | Low | 78.9 | Confident | 98 Ų | 98 | 54.7 Ų | 54.7 | 60% | 0.601 | 31% | 0.305 | S | S | * | . | P | Polyproline II helix | trans | -73.9 | 172.9 | 172.4 | 26.4 | 0 | 0 | 0 | 0 | 112 | D185 R357 | T182-D185 WeakPolarHBondContact CA-OD2 3.43Å; T182-D185 WeakPolarHBondContact CB-OD2 3.28Å; T182-D185 PolarHBondContact N-OD2 3.39Å; T182-D185 PolarHBondContact OG1-OD2 3.3Å; T182-R357 PolarHBondContact O-NE 3.19Å; T182-R357 PolarHBondContact O-NH2 2.91Å |
| 183 | D | 65.8 | Low | 79 | Confident | 62 Ų | 62 | 54.4 Ų | 54.4 | 33% | 0.332 | 30% | 0.304 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -57.9 | 142.5 | 160.1 | -86.9 | -28.1 | 0 | 0 | 0 | 108.5 | R253 R358 | D183-R253 IonicContact OD2-CZ 3.79Å; D183-R253 IonicContact OD2-NH1 2.71Å; D183-R253 IonicContact OD2-NH2 3.61Å; D183-R253 PolarHBondContact OD2-NH2 3.31Å; D183-R358 HydrophobicContact CB-CB 4.11Å; D183-R358 PolarHBondContact OD1-N 3.03Å |
| 184 | E | 68.1 | Low | 79.6 | Confident | 98 Ų | 98 | 57.2 Ų | 57.2 | 46% | 0.458 | 31% | 0.305 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 77.8 | 0.5 | -179.7 | -52.3 | -176 | -175 | 0 | 0 | 118.5 | R358 I360 | E184-R358 WeakPolarHBondContact CA-O 3.16Å; E184-R358 HydrophobicContact CG-CG 4.39Å; E184-R358 PolarHBondContact N-O 2.97Å; E184-R358 IonicContact OE1-CZ 2.63Å; E184-R358 IonicContact OE1-NE 2.71Å; E184-R358 IonicContact OE1-NH1 3.88Å; E184-R358 PolarHBondContact OE1-NH1 3.5Å; E184-R358 IonicContact OE1-NH2 2.7Å; E184-I360 WeakPolarHBondContact O-CG1 3.31Å |
| 185 | D | 78 | Confident | 80.4 | Confident | 63 Ų | 63 | 55.7 Ų | 55.7 | 34% | 0.337 | 30% | 0.296 | S | S | . | . | S | Bend | trans | -82.5 | 173.4 | 165.2 | -49.2 | -67 | 0 | 0 | 0 | 112.5 | R181 T182 R357 | R181-D185 HydrophobicContact CB-CB 4.05Å; R181-D185 HydrophobicContact CG-CB 4.12Å; T182-D185 WeakPolarHBondContact CA-OD2 3.43Å; T182-D185 WeakPolarHBondContact CB-OD2 3.28Å; T182-D185 PolarHBondContact N-OD2 3.39Å; T182-D185 PolarHBondContact OG1-OD2 3.3Å; D185-R357 VanDerWaalsContact O-CZ 3.27Å; D185-R357 PolarHBondContact O-NH1 2.95Å; D185-R357 PolarHBondContact O-NH2 2.7Å |
| 186 | V | 82.3 | Confident | 81.1 | Confident | 59 Ų | 59 | 53.9 Ų | 53.9 | 36% | 0.358 | 29% | 0.286 | S | S | . | . | P | Polyproline II helix | trans | -79.3 | 118.4 | 171.9 | -149.2 | 0 | 0 | 0 | 0 | 110.8 | R181 D190 Q191 I360 | R181-V186 WeakPolarHBondContact CD-O 3.13Å; R181-V186 PolarHBondContact NE-O 3.47Å; R181-V186 PolarHBondContact NH1-O 2.81Å; V186-D190 HydrophobicContact CG1-CB 3.84Å; V186-Q191 HydrophobicContact CG1-CG 3.67Å; V186-I360 HydrophobicContact CB-CD1 3.95Å; V186-I360 HydrophobicContact CG1-CD1 4.32Å; V186-I360 HydrophobicContact CG2-CD1 3.41Å; V186-I360 VanDerWaalsContact CG2-CD1 3.41Å |
| 187 | S | 87.3 | Confident | 82.3 | Confident | 3 Ų | 3 | 53.1 Ų | 53.1 | 2% | 0.021 | 28% | 0.277 | C | S | . | . | P | Polyproline II helix | trans | -81.4 | 167.6 | 165.7 | 74.7 | 0 | 0 | 0 | 0 | 112.2 | E179 H189 D190 Q191 | E179-S187 VanDerWaalsContact OE2-CA 3.32Å; E179-S187 WeakPolarHBondContact OE2-CA 3.22Å; S187-H189 PolarHBondContact O-N 3.07Å; S187-H189 PolarHBondContact OG-N 3.37Å; S187-D190 PolarHBondContact N-OD2 3.36Å; S187-D190 WeakPolarHBondContact O-CB 3.4Å; S187-D190 PolarHBondContact O-N 3.45Å; S187-D190 VanDerWaalsContact OG-CG 3.29Å; S187-D190 PolarHBondContact OG-N 3.35Å; S187-D190 PolarHBondContact OG-OD2 3.29Å; S187-Q191 WeakPolarHBondContact O-CG 3.49Å; S187-Q191 PolarHBondContact O-N 3.45Å |
| 188 | V | 90.5 | Very high | 83.4 | Confident | 8 Ų | 8 | 50.6 Ų | 50.6 | 5% | 0.048 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -61.7 | -32.2 | 169.8 | -177.1 | 0 | 0 | 0 | 0 | 111.4 | K124 K125 E179 Q191 I192 | K124-V188 HydrophobicContact CG-CG1 4.1Å; K124-V188 WeakPolarHBondContact O-CG1 3.34Å; K125-V188 HydrophobicContact CB-CG1 4.38Å; K125-V188 HydrophobicContact CD-CG2 4.43Å; K125-V188 HydrophobicContact CG-CB 4.43Å; K125-V188 HydrophobicContact CG-CG1 3.77Å; K125-V188 HydrophobicContact CG-CG2 3.73Å; E179-V188 HydrophobicContact CG-CG2 4.41Å; E179-V188 PolarHBondContact OE2-N 2.84Å; V188-Q191 PolarHBondContact O-N 3.15Å; V188-I192 PolarHBondContact O-N 3.12Å |
| 189 | H | 92.4 | Very high | 84.8 | Confident | 3 Ų | 3 | 48.8 Ų | 48.8 | 1% | 0.014 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -69.2 | -41 | 175.1 | -165.7 | 70.8 | 0 | 0 | 0 | 111.4 | K124 S187 Q191 I192 L193 L227 M228 E231 | K124-H189 PolarHBondContact NZ-ND1 3.5Å; S187-H189 PolarHBondContact O-N 3.07Å; S187-H189 PolarHBondContact OG-N 3.37Å; H189-Q191 VanDerWaalsContact C-N 3.3Å; H189-Q191 PolarHBondContact O-N 2.9Å; H189-I192 PolarHBondContact O-N 2.68Å; H189-L193 WeakPolarHBondContact O-CG 3.36Å; H189-L193 PolarHBondContact O-N 3.49Å; H189-L227 PolarHBondContact CE1-O 3.2Å; H189-L227 PolarHBondContact NE2-O 3.31Å; H189-M228 PolarHBondContact NE2-O 2.82Å; H189-E231 IonicContact CD2-OE1 3.77Å; H189-E231 IonicContact CD2-OE2 3.4Å; H189-E231 IonicContact CG-OE1 2.69Å; H189-E231 IonicContact CG-OE2 3.74Å; H189-E231 IonicContact ND1-OE1 3.61Å |
| 190 | D | 91.7 | Very high | 86 | Confident | 0 Ų | 0 | 48.1 Ų | 48.1 | 0% | 0 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -60.2 | -38.5 | 173.1 | -65.3 | -30.8 | 0 | 0 | 0 | 112.2 | V186 S187 L193 W194 R357 S359 V363 | V186-D190 HydrophobicContact CG1-CB 3.84Å; S187-D190 PolarHBondContact N-OD2 3.36Å; S187-D190 WeakPolarHBondContact O-CB 3.4Å; S187-D190 PolarHBondContact O-N 3.45Å; S187-D190 VanDerWaalsContact OG-CG 3.29Å; S187-D190 PolarHBondContact OG-N 3.35Å; S187-D190 PolarHBondContact OG-OD2 3.29Å; D190-L193 PolarHBondContact O-N 3.28Å; D190-W194 WeakPolarHBondContact O-CB 3.41Å; D190-W194 PolarHBondContact O-N 2.89Å; D190-R357 IonicContact OD2-NH1 2.64Å; D190-R357 PolarHBondContact OD2-NH1 3.16Å; D190-S359 WeakPolarHBondContact OD1-CB 3.37Å; D190-S359 PolarHBondContact OD1-OG 2.92Å; D190-V363 HydrophobicContact CB-CG2 4.37Å |
| 191 | Q | 93.6 | Very high | 87.7 | Confident | 72 Ų | 72 | 40.3 Ų | 40.3 | 34% | 0.336 | 20% | 0.204 | S | C | . | . | H | α-helix | trans | -63.8 | -43.5 | 176.9 | -69.6 | 171.1 | -12.6 | 0 | 0 | 112 | A128 V186 S187 V188 H189 W194 A195 | A128-Q191 HydrophobicContact CB-CB 4.01Å; V186-Q191 HydrophobicContact CG1-CG 3.67Å; S187-Q191 WeakPolarHBondContact O-CG 3.49Å; S187-Q191 PolarHBondContact O-N 3.45Å; V188-Q191 PolarHBondContact O-N 3.15Å; H189-Q191 VanDerWaalsContact C-N 3.3Å; H189-Q191 PolarHBondContact O-N 2.9Å; Q191-W194 PolarHBondContact O-N 3.08Å; Q191-A195 WeakPolarHBondContact O-CB 3.36Å; Q191-A195 PolarHBondContact O-N 3.47Å |
| 192 | I | 95.7 | Very high | 89.1 | Confident | 0 Ų | 0 | 36 Ų | 36 | 0% | 0 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -63.6 | -44.2 | 175 | -70.6 | 160.9 | 0 | 0 | 0 | 111.1 | K124 A128 F133 V169 L170 V188 H189 W194 A195 M196 | K124-I192 HydrophobicContact CD-CD1 4.14Å; K124-I192 VanDerWaalsContact CE-CD1 3.49Å; K124-I192 HydrophobicContact CG-CD1 3.45Å; K124-I192 VanDerWaalsContact CG-CD1 3.45Å; K124-I192 WeakPolarHBondContact O-CD1 3.36Å; A128-I192 HydrophobicContact CB-CG1 4.5Å; F133-I192 HydrophobicContact CE2-CG2 3.95Å; F133-I192 HydrophobicContact CZ-CG2 3.76Å; V169-I192 HydrophobicContact CG1-CD1 3.92Å; L170-I192 HydrophobicContact CD2-CG2 3.74Å; V188-I192 PolarHBondContact O-N 3.12Å; H189-I192 PolarHBondContact O-N 2.68Å; I192-W194 VanDerWaalsContact C-N 3.28Å; I192-W194 PolarHBondContact O-N 2.71Å; I192-A195 PolarHBondContact O-N 3.12Å; I192-M196 HydrophobicContact CG2-CG 4.41Å; I192-M196 HydrophobicContact CG2-SD 4.07Å; I192-M196 WeakPolarHBondContact O-CB 3.45Å; I192-M196 WeakPolarHBondContact O-CG 3.33Å; I192-M196 PolarHBondContact O-N 2.98Å |
| 193 | L | 95.5 | Very high | 90.5 | Very high | 0 Ų | 0 | 38.6 Ų | 38.6 | 0% | 0 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -60.7 | -39.2 | 177.4 | -69.7 | 171.9 | 0 | 0 | 0 | 112 | H189 D190 M196 H197 M228 V363 Y366 L367 | H189-L193 WeakPolarHBondContact O-CG 3.36Å; H189-L193 PolarHBondContact O-N 3.49Å; D190-L193 PolarHBondContact O-N 3.28Å; L193-M196 PolarHBondContact O-N 3Å; L193-H197 PolarHBondContact O-N 2.58Å; L193-M228 HydrophobicContact CD2-CB 3.62Å; L193-M228 HydrophobicContact CD2-CE 4.16Å; L193-M228 HydrophobicContact CD2-CG 3.7Å; L193-V363 HydrophobicContact CB-CG1 4.47Å; L193-V363 HydrophobicContact CD1-CG1 4.28Å; L193-Y366 HydrophobicContact CB-CE1 4.42Å; L193-L367 HydrophobicContact CD1-CD1 4.18Å; L193-L367 HydrophobicContact CD1-CD2 4.42Å; L193-L367 HydrophobicContact CD2-CD2 4.39Å |
| 194 | W | 95.8 | Very high | 92 | Very high | 103 Ų | 103 | 36.4 Ų | 36.4 | 39% | 0.39 | 18% | 0.183 | S | C | . | . | H | α-helix | trans | -69.8 | -40.9 | 176.1 | -163.3 | -107.5 | 0 | 0 | 0 | 112.4 | D190 Q191 I192 M196 H197 L198 A362 V363 | D190-W194 WeakPolarHBondContact O-CB 3.41Å; D190-W194 PolarHBondContact O-N 2.89Å; Q191-W194 PolarHBondContact O-N 3.08Å; I192-W194 VanDerWaalsContact C-N 3.28Å; I192-W194 PolarHBondContact O-N 2.71Å; W194-M196 VanDerWaalsContact C-N 3.35Å; W194-M196 PolarHBondContact O-N 2.65Å; W194-H197 AromaticContact CZ3-CD2 3.82Å; W194-H197 PolarHBondContact O-N 3.37Å; W194-L198 WeakPolarHBondContact O-CG 3.43Å; W194-L198 PolarHBondContact O-N 2.76Å; W194-A362 HydrophobicContact CH2-CB 4.44Å; W194-A362 HydrophobicContact CZ3-CB 4.32Å; W194-V363 HydrophobicContact CE3-CG2 4.27Å |
| 195 | A | 96.2 | Very high | 93.3 | Very high | 6 Ų | 6 | 31.8 Ų | 31.8 | 5% | 0.05 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -61.1 | -40.9 | 173.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | E130 F133 Q191 I192 S199 | E130-A195 HydrophobicContact CB-CB 4.48Å; F133-A195 HydrophobicContact CD2-CB 3.94Å; F133-A195 HydrophobicContact CE2-CB 4.49Å; Q191-A195 WeakPolarHBondContact O-CB 3.36Å; Q191-A195 PolarHBondContact O-N 3.47Å; I192-A195 PolarHBondContact O-N 3.12Å; A195-S199 WeakPolarHBondContact O-CB 3.49Å; A195-S199 PolarHBondContact O-N 2.98Å; A195-S199 PolarHBondContact O-OG 3.19Å |
| 196 | M | 96.7 | Very high | 94.2 | Very high | 0 Ų | 0 | 29.8 Ų | 29.8 | 0% | 0 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -63.3 | -42.2 | 174 | -75.1 | 178.7 | 68.9 | 0 | 0 | 112.5 | F133 I166 L170 I192 L193 W194 S199 G200 W201 L205 I224 M228 | F133-M196 HydrophobicContact CD1-CG 3.71Å; F133-M196 HydrophobicContact CE1-CG 3.51Å; F133-M196 HydrophobicContact CE1-SD 4.05Å; F133-M196 HydrophobicContact CE2-CG 4.35Å; F133-M196 HydrophobicContact CG-CG 4.22Å; F133-M196 HydrophobicContact CZ-CG 3.87Å; F133-M196 HydrophobicContact CZ-SD 4.3Å; I166-M196 HydrophobicContact CG2-CE 4.16Å; I166-M196 HydrophobicContact CG2-SD 4.42Å; L170-M196 HydrophobicContact CD1-SD 4.27Å; L170-M196 HydrophobicContact CD2-SD 4.23Å; I192-M196 HydrophobicContact CG2-CG 4.41Å; I192-M196 HydrophobicContact CG2-SD 4.07Å; I192-M196 WeakPolarHBondContact O-CB 3.45Å; I192-M196 WeakPolarHBondContact O-CG 3.33Å; I192-M196 PolarHBondContact O-N 2.98Å; L193-M196 PolarHBondContact O-N 3Å; W194-M196 VanDerWaalsContact C-N 3.35Å; W194-M196 PolarHBondContact O-N 2.65Å; M196-S199 WeakPolarHBondContact CA-OG 3.46Å; M196-S199 PolarHBondContact O-N 2.86Å; M196-S199 PolarHBondContact O-OG 3.46Å; M196-S199 VanDerWaalsContact O-OG 3.09Å; M196-G200 PolarHBondContact O-N 3.19Å; M196-W201 HydrophobicContact CB-CB 4.01Å; M196-W201 HydrophobicContact CE-CB 4.02Å; M196-W201 HydrophobicContact CG-CB 4.32Å; M196-W201 PolarHBondContact O-N 3.47Å; M196-L205 HydrophobicContact CE-CD1 3.92Å; M196-I224 HydrophobicContact CE-CG2 4.29Å; M196-M228 HydrophobicContact CE-CE 4.32Å; M196-M228 HydrophobicContact CE-CG 4.28Å; M196-M228 HydrophobicContact CE-SD 3.86Å |
| 197 | H | 96.4 | Very high | 94.9 | Very high | 66 Ų | 66 | 31.5 Ų | 31.5 | 31% | 0.306 | 15% | 0.154 | S | C | . | . | H | α-helix | trans | -62.2 | -51.6 | 175.2 | 179.6 | 40 | 0 | 0 | 0 | 112.1 | L193 W194 S199 G200 D202 Y366 | L193-H197 PolarHBondContact O-N 2.58Å; W194-H197 AromaticContact CZ3-CD2 3.82Å; W194-H197 PolarHBondContact O-N 3.37Å; H197-S199 PolarHBondContact O-N 3.14Å; H197-G200 PolarHBondContact O-N 3.45Å; H197-D202 IonicContact CE1-OD2 3.06Å; H197-D202 IonicContact CG-OD2 3.01Å; H197-D202 IonicContact ND1-OD2 3.89Å; H197-D202 PolarHBondContact ND1-OD2 2.91Å; H197-Y366 HydrophobicContact CB-CD1 4.44Å; H197-Y366 HydrophobicContact CB-CD2 3.97Å; H197-Y366 HydrophobicContact CB-CE1 4.14Å; H197-Y366 HydrophobicContact CB-CE2 3.66Å; H197-Y366 HydrophobicContact CB-CG 4.36Å; H197-Y366 AromaticContact CD2-CD2 3.93Å; H197-Y366 AromaticContact CE1-CD2 3.9Å; H197-Y366 AromaticContact CG-CD2 3.54Å; H197-Y366 AromaticContact CG-CE2 3.6Å; H197-Y366 AromaticContact ND1-CD2 3.52Å; H197-Y366 AromaticContact ND1-CE2 3.48Å; H197-Y366 WeakPolarHBondContact ND1-CE2 3.48Å |
| 198 | L | 95.9 | Very high | 95.3 | Very high | 68 Ų | 68 | 31.5 Ų | 31.5 | 36% | 0.356 | 15% | 0.153 | S | C | . | . | H | α-helix | trans | -67.7 | -7.6 | -178.6 | -66.4 | -175.6 | 0 | 0 | 0 | 114.3 | E130 R134 W194 | E130-L198 HydrophobicContact CG-CB 3.93Å; E130-L198 VanDerWaalsContact OE2-CD1 3.24Å; E130-L198 WeakPolarHBondContact OE2-CD1 3.44Å; R134-L198 PolarHBondContact NH2-O 3.34Å; W194-L198 WeakPolarHBondContact O-CG 3.43Å; W194-L198 PolarHBondContact O-N 2.76Å |
| 199 | S | 96.1 | Very high | 95.5 | Very high | 10 Ų | 10 | 31.4 Ų | 31.4 | 7% | 0.07 | 15% | 0.153 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -111 | -0.1 | 178 | 52.7 | 0 | 0 | 0 | 0 | 114.6 | F133 C137 A195 M196 H197 | F133-S199 WeakPolarHBondContact CB-OG 3.44Å; C137-S199 WeakPolarHBondContact CB-O 3.47Å; C137-S199 PolarHBondContact SG-O 3.12Å; A195-S199 WeakPolarHBondContact O-CB 3.49Å; A195-S199 PolarHBondContact O-N 2.98Å; A195-S199 PolarHBondContact O-OG 3.19Å; M196-S199 WeakPolarHBondContact CA-OG 3.46Å; M196-S199 PolarHBondContact O-N 2.86Å; M196-S199 PolarHBondContact O-OG 3.46Å; M196-S199 VanDerWaalsContact O-OG 3.09Å; H197-S199 PolarHBondContact O-N 3.14Å |
| 200 | G | 95.7 | Very high | 95.6 | Very high | 21 Ų | 21 | 35.1 Ų | 35.1 | 22% | 0.216 | 17% | 0.173 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 82.6 | 14.8 | 176.4 | 0 | 0 | 0 | 0 | 0 | 115.6 | M196 H197 D202 E203 L204 | M196-G200 PolarHBondContact O-N 3.19Å; H197-G200 PolarHBondContact O-N 3.45Å; G200-D202 WeakPolarHBondContact CA-OD1 3.36Å; G200-D202 PolarHBondContact O-N 3.34Å; G200-E203 PolarHBondContact O-N 2.92Å; G200-L204 PolarHBondContact O-N 3.21Å |
| 201 | W | 96.8 | Very high | 95.7 | Very high | 0 Ų | 0 | 36.4 Ų | 36.4 | 0% | 0 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -67.2 | -22.1 | 177.7 | -89.2 | 95.6 | 0 | 0 | 0 | 113.4 | F133 L136 C137 V140 I162 L163 I166 M196 L204 L205 | F133-W201 AromaticContact CD1-CD1 3.77Å; F133-W201 HydrophobicContact CD1-CG 4.48Å; F133-W201 AromaticContact CD1-NE1 3.76Å; F133-W201 PolarHBondContact O-NE1 3.45Å; L136-W201 HydrophobicContact CB-CZ2 3.88Å; C137-W201 HydrophobicContact CB-CZ2 4.41Å; V140-W201 HydrophobicContact CB-CH2 4.3Å; V140-W201 HydrophobicContact CG2-CH2 4.04Å; I162-W201 HydrophobicContact CG2-CH2 3.87Å; I162-W201 HydrophobicContact CG2-CZ2 4.07Å; L163-W201 HydrophobicContact CD2-CZ3 3.96Å; I166-W201 HydrophobicContact CD1-CD2 3.86Å; I166-W201 HydrophobicContact CD1-CE3 3.86Å; I166-W201 HydrophobicContact CD1-CH2 3.36Å; I166-W201 HydrophobicContact CD1-CZ2 3.35Å; I166-W201 HydrophobicContact CD1-CZ3 3.62Å; M196-W201 HydrophobicContact CB-CB 4.01Å; M196-W201 HydrophobicContact CE-CB 4.02Å; M196-W201 HydrophobicContact CG-CB 4.32Å; M196-W201 PolarHBondContact O-N 3.47Å; W201-L204 HydrophobicContact CD2-CD2 4.13Å; W201-L204 HydrophobicContact CE3-CD2 3.75Å; W201-L204 HydrophobicContact CE3-CG 4.44Å; W201-L204 HydrophobicContact CH2-CD2 3.75Å; W201-L204 HydrophobicContact CZ2-CD2 4.13Å; W201-L204 HydrophobicContact CZ3-CD2 3.56Å; W201-L204 HydrophobicContact CZ3-CG 4.36Å; W201-L205 HydrophobicContact CE3-CG 4.37Å; W201-L205 VanDerWaalsContact O-CB 3.28Å; W201-L205 WeakPolarHBondContact O-CB 3.39Å; W201-L205 WeakPolarHBondContact O-CD1 3.16Å; W201-L205 WeakPolarHBondContact O-CG 3.46Å; W201-L205 PolarHBondContact O-N 3.49Å |
| 202 | D | 94.8 | Very high | 95.4 | Very high | 17 Ų | 17 | 37.5 Ų | 37.5 | 9% | 0.091 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -65 | -53.2 | 171.8 | 43.7 | 6.7 | 0 | 0 | 0 | 112.4 | H197 G200 L204 L205 L206 Y366 F370 | H197-D202 IonicContact CE1-OD2 3.06Å; H197-D202 IonicContact CG-OD2 3.01Å; H197-D202 IonicContact ND1-OD2 3.89Å; H197-D202 PolarHBondContact ND1-OD2 2.91Å; G200-D202 WeakPolarHBondContact CA-OD1 3.36Å; G200-D202 PolarHBondContact O-N 3.34Å; D202-L204 VanDerWaalsContact C-N 3.29Å; D202-L204 PolarHBondContact O-N 3.29Å; D202-L205 PolarHBondContact O-N 3.46Å; D202-L206 VanDerWaalsContact O-CG 3.26Å; D202-L206 WeakPolarHBondContact O-CG 3.44Å; D202-L206 PolarHBondContact O-N 3.47Å; D202-Y366 HydrophobicContact CB-CE2 4.08Å; D202-Y366 WeakPolarHBondContact OD2-CE2 3.31Å; D202-F370 HydrophobicContact CB-CD2 3.78Å; D202-F370 HydrophobicContact CB-CE2 4.03Å |
| 203 | E | 95.5 | Very high | 95 | Very high | 151 Ų | 151 | 41.8 Ų | 41.8 | 71% | 0.706 | 21% | 0.213 | S | C | * | . | H | α-helix | trans | -59.6 | -41.9 | 175.7 | -63.3 | -169.2 | 166.9 | 0 | 0 | 111.3 | G200 L206 F207 | G200-E203 PolarHBondContact O-N 2.92Å; E203-L206 PolarHBondContact O-N 3.36Å; E203-F207 PolarHBondContact O-N 2.7Å |
| 204 | L | 96.2 | Very high | 94.8 | Very high | 17 Ų | 17 | 42 Ų | 42 | 9% | 0.089 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -64 | -41.7 | 178.8 | -168.5 | 62.2 | 0 | 0 | 0 | 112.9 | V140 L144 G200 W201 D202 F207 L208 | V140-L204 HydrophobicContact CB-CD2 4.05Å; V140-L204 HydrophobicContact CG1-CD1 4.36Å; V140-L204 HydrophobicContact CG1-CD2 3.92Å; V140-L204 HydrophobicContact CG1-CG 4.48Å; L144-L204 HydrophobicContact CD1-CD1 3.72Å; G200-L204 PolarHBondContact O-N 3.21Å; W201-L204 HydrophobicContact CD2-CD2 4.13Å; W201-L204 HydrophobicContact CE3-CD2 3.75Å; W201-L204 HydrophobicContact CE3-CG 4.44Å; W201-L204 HydrophobicContact CH2-CD2 3.75Å; W201-L204 HydrophobicContact CZ2-CD2 4.13Å; W201-L204 HydrophobicContact CZ3-CD2 3.56Å; W201-L204 HydrophobicContact CZ3-CG 4.36Å; D202-L204 VanDerWaalsContact C-N 3.29Å; D202-L204 PolarHBondContact O-N 3.29Å; L204-F207 PolarHBondContact O-N 2.99Å; L204-L208 HydrophobicContact CG-CD1 4.49Å; L204-L208 WeakPolarHBondContact O-CB 3.5Å; L204-L208 WeakPolarHBondContact O-CG 3.07Å; L204-L208 PolarHBondContact O-N 3.21Å |
| 205 | L | 97 | Very high | 94.5 | Very high | 0 Ų | 0 | 43.1 Ų | 43.1 | 0% | 0 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -70.9 | -35.5 | 176.2 | -73.3 | 166.2 | 0 | 0 | 0 | 112.2 | M196 W201 D202 L208 A209 T221 I224 M228 F370 | M196-L205 HydrophobicContact CE-CD1 3.92Å; W201-L205 HydrophobicContact CE3-CG 4.37Å; W201-L205 VanDerWaalsContact O-CB 3.28Å; W201-L205 WeakPolarHBondContact O-CB 3.39Å; W201-L205 WeakPolarHBondContact O-CD1 3.16Å; W201-L205 WeakPolarHBondContact O-CG 3.46Å; W201-L205 PolarHBondContact O-N 3.49Å; D202-L205 PolarHBondContact O-N 3.46Å; L205-L208 PolarHBondContact O-N 3.49Å; L205-A209 VanDerWaalsContact O-CB 3.24Å; L205-A209 WeakPolarHBondContact O-CB 3.38Å; L205-A209 PolarHBondContact O-N 3.36Å; L205-T221 HydrophobicContact CD2-CG2 4.02Å; L205-I224 HydrophobicContact CD1-CG2 3.65Å; L205-I224 HydrophobicContact CD2-CB 4.3Å; L205-I224 HydrophobicContact CD2-CD1 4.19Å; L205-I224 HydrophobicContact CD2-CG2 3.88Å; L205-I224 HydrophobicContact CG-CG2 4.45Å; L205-M228 HydrophobicContact CD1-SD 3.72Å; L205-F370 HydrophobicContact CB-CZ 4.47Å |
| 206 | L | 96.5 | Very high | 94.2 | Very high | 21 Ų | 21 | 47.4 Ų | 47.4 | 11% | 0.11 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -65.4 | -40.8 | 173.9 | -69.9 | 168.1 | 0 | 0 | 0 | 111.3 | D202 E203 A209 N210 F370 Q373 F374 C378 | D202-L206 VanDerWaalsContact O-CG 3.26Å; D202-L206 WeakPolarHBondContact O-CG 3.44Å; D202-L206 PolarHBondContact O-N 3.47Å; E203-L206 PolarHBondContact O-N 3.36Å; L206-A209 PolarHBondContact O-N 3.19Å; L206-N210 WeakPolarHBondContact O-CB 3.24Å; L206-N210 PolarHBondContact O-N 3.06Å; L206-N210 VanDerWaalsContact O-N 3.14Å; L206-F370 HydrophobicContact CD1-CD2 4.23Å; L206-F370 HydrophobicContact CD1-CE2 4.26Å; L206-F370 HydrophobicContact CD2-CD2 4.41Å; L206-F370 HydrophobicContact CD2-CE2 4.03Å; L206-F370 HydrophobicContact CD2-CZ 4.44Å; L206-F370 HydrophobicContact CG-CD2 4.24Å; L206-F370 HydrophobicContact CG-CE2 3.8Å; L206-Q373 HydrophobicContact CD1-CB 3.9Å; L206-Q373 HydrophobicContact CD2-CB 4.14Å; L206-F374 HydrophobicContact CD2-CB 3.87Å; L206-F374 HydrophobicContact CD2-CD2 4.33Å; L206-C378 VanDerWaalsContact CD2-SG 3.57Å; L206-C378 PolarHBondContact O-SG 3.37Å |
| 207 | F | 95.9 | Very high | 94.1 | Very high | 96 Ų | 96 | 47.7 Ų | 47.7 | 42% | 0.421 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -60.8 | -52.7 | 172.3 | 174.6 | -97.1 | 0 | 0 | 0 | 111.7 | L144 E203 L204 A209 N210 S211 E214 | L144-F207 HydrophobicContact CB-CE1 4.24Å; L144-F207 HydrophobicContact CD1-CD1 4.02Å; L144-F207 HydrophobicContact CD1-CE1 3.99Å; E203-F207 PolarHBondContact O-N 2.7Å; L204-F207 PolarHBondContact O-N 2.99Å; F207-A209 PolarHBondContact O-N 3.14Å; F207-N210 PolarHBondContact O-N 3.19Å; F207-N210 VanDerWaalsContact O-N 3.1Å; F207-S211 WeakPolarHBondContact O-CB 3.37Å; F207-S211 PolarHBondContact O-N 2.79Å; F207-E214 HydrophobicContact CE1-CG 4.17Å |
| 208 | L | 95.9 | Very high | 94 | Very high | 3 Ų | 3 | 44.7 Ų | 44.7 | 2% | 0.016 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -58.7 | -31.3 | 178.1 | -76.4 | 168.1 | 0 | 0 | 0 | 113.2 | L144 L163 L204 L205 E214 F217 T221 | L144-L208 HydrophobicContact CD1-CD2 3.83Å; L144-L208 HydrophobicContact CD1-CG 4.15Å; L144-L208 HydrophobicContact CD2-CD2 4.31Å; L163-L208 HydrophobicContact CD1-CD1 4.45Å; L163-L208 HydrophobicContact CD2-CD1 4.04Å; L204-L208 HydrophobicContact CG-CD1 4.49Å; L204-L208 WeakPolarHBondContact O-CB 3.5Å; L204-L208 WeakPolarHBondContact O-CG 3.07Å; L204-L208 PolarHBondContact O-N 3.21Å; L205-L208 PolarHBondContact O-N 3.49Å; L208-E214 HydrophobicContact CD2-CB 4.04Å; L208-E214 HydrophobicContact CD2-CG 4.12Å; L208-F217 HydrophobicContact CD2-CB 4.37Å; L208-F217 HydrophobicContact CD2-CD2 3.84Å; L208-F217 HydrophobicContact CD2-CG 4.47Å; L208-T221 HydrophobicContact CB-CG2 4.17Å |
| 209 | A | 95.2 | Very high | 93.8 | Very high | 5 Ų | 5 | 43.4 Ų | 43.4 | 4% | 0.041 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -83.7 | -17.2 | 179.1 | 0 | 0 | 0 | 0 | 0 | 114.3 | L205 L206 F207 T221 F374 C378 I382 | L205-A209 VanDerWaalsContact O-CB 3.24Å; L205-A209 WeakPolarHBondContact O-CB 3.38Å; L205-A209 PolarHBondContact O-N 3.36Å; L206-A209 PolarHBondContact O-N 3.19Å; F207-A209 PolarHBondContact O-N 3.14Å; A209-T221 HydrophobicContact CB-CG2 3.89Å; A209-F374 HydrophobicContact CB-CD2 4.36Å; A209-F374 HydrophobicContact CB-CE2 3.92Å; A209-C378 HydrophobicContact CB-CB 3.63Å; A209-I382 HydrophobicContact CB-CD1 3.89Å |
| 210 | N | 94.7 | Very high | 93.7 | Very high | 82 Ų | 82 | 43.6 Ų | 43.6 | 44% | 0.439 | 22% | 0.218 | S | C | . | . | H | α-helix | trans | -106.2 | -23.7 | -178.7 | -176.4 | 68.2 | 0 | 0 | 0 | 113.6 | L206 F207 F377 | L206-N210 WeakPolarHBondContact O-CB 3.24Å; L206-N210 PolarHBondContact O-N 3.06Å; L206-N210 VanDerWaalsContact O-N 3.14Å; F207-N210 PolarHBondContact O-N 3.19Å; F207-N210 VanDerWaalsContact O-N 3.1Å; N210-F377 PolarHBondContact OD1-O 3.29Å |
| 211 | S | 92.5 | Very high | 93.8 | Very high | 26 Ų | 26 | 42.6 Ų | 42.6 | 18% | 0.182 | 21% | 0.207 | C | C | . | . | trans | -72.7 | 128.5 | -178 | -178 | 0 | 0 | 0 | 0 | 112.6 | F207 D213 E214 | F207-S211 WeakPolarHBondContact O-CB 3.37Å; F207-S211 PolarHBondContact O-N 2.79Å; S211-D213 VanDerWaalsContact C-N 3.28Å; S211-D213 PolarHBondContact O-N 3.29Å; S211-D213 PolarHBondContact OG-N 2.77Å; S211-E214 PolarHBondContact O-N 2.98Å | ||
| 212 | D | 87.4 | Confident | 93.7 | Very high | 95 Ų | 95 | 42.6 Ų | 42.6 | 51% | 0.508 | 21% | 0.208 | S | C | . | . | S | Bend | trans | -74.3 | -16.3 | 176.1 | -98.5 | -16.6 | 0 | 0 | 0 | 113.9 | R215 | D212-R215 WeakPolarHBondContact O-CD 3.21Å; D212-R215 WeakPolarHBondContact O-CG 3.48Å; D212-R215 PolarHBondContact O-NE 2.9Å; D212-R215 IonicContact OD1-CZ 2.73Å; D212-R215 IonicContact OD1-NE 2.65Å; D212-R215 PolarHBondContact OD1-NE 2.74Å; D212-R215 IonicContact OD1-NH2 3.45Å; D212-R215 PolarHBondContact OD1-NH2 2.55Å; D212-R215 IonicContact OD2-NH2 3.24Å; D212-R215 PolarHBondContact OD2-NH2 2.84Å |
| 213 | D | 88.4 | Confident | 93.7 | Very high | 91 Ų | 91 | 42.2 Ų | 42.2 | 49% | 0.487 | 21% | 0.205 | S | C | . | . | S | Bend | trans | -85.1 | -31 | 175.4 | -69.5 | -14.3 | 0 | 0 | 0 | 111.6 | W148 S211 R215 | W148-D213 HydrophobicContact CB-CB 4.09Å; W148-D213 VanDerWaalsContact CD1-CG 3.49Å; W148-D213 HydrophobicContact CG-CB 4.11Å; S211-D213 VanDerWaalsContact C-N 3.28Å; S211-D213 PolarHBondContact O-N 3.29Å; S211-D213 PolarHBondContact OG-N 2.77Å; D213-R215 PolarHBondContact O-N 2.84Å |
| 214 | E | 91.7 | Very high | 93.8 | Very high | 4 Ų | 4 | 35 Ų | 35 | 2% | 0.019 | 17% | 0.172 | C | C | . | . | trans | -85.3 | 12.4 | -175.5 | -56.5 | -49 | 135.9 | 0 | 0 | 114.1 | L144 R151 F207 L208 S211 M216 F217 | L144-E214 HydrophobicContact CD2-CG 4.38Å; L144-E214 WeakPolarHBondContact CD2-OE2 3.28Å; R151-E214 IonicContact CZ-OE1 3.31Å; R151-E214 VanDerWaalsContact CZ-OE1 3.31Å; R151-E214 IonicContact CZ-OE2 2.9Å; R151-E214 VanDerWaalsContact NH1-CD 3.3Å; R151-E214 IonicContact NH1-OE1 3.71Å; R151-E214 PolarHBondContact NH1-OE1 3.47Å; R151-E214 VanDerWaalsContact NH1-OE1 3.07Å; R151-E214 IonicContact NH1-OE2 3.66Å; R151-E214 PolarHBondContact NH1-OE2 3.43Å; R151-E214 IonicContact NH2-OE1 2.68Å; R151-E214 PolarHBondContact NH2-OE1 3.48Å; R151-E214 IonicContact NH2-OE2 3.39Å; F207-E214 HydrophobicContact CE1-CG 4.17Å; L208-E214 HydrophobicContact CD2-CB 4.04Å; L208-E214 HydrophobicContact CD2-CG 4.12Å; S211-E214 PolarHBondContact O-N 2.98Å; E214-M216 PolarHBondContact O-N 3.02Å; E214-F217 HydrophobicContact CB-CD2 4.26Å; E214-F217 PolarHBondContact O-N 2.71Å; E214-F217 WeakPolarHBondContact OE2-CD2 3.3Å; E214-F217 VanDerWaalsContact OE2-CE2 3.3Å; E214-F217 WeakPolarHBondContact OE2-CE2 3.19Å | ||
| 215 | R | 89.1 | Confident | 93.8 | Very high | 127 Ų | 127 | 34.2 Ų | 34.2 | 48% | 0.479 | 17% | 0.167 | S | C | . | . | G | 310 helix | trans | -52.8 | -24.7 | -174.3 | -72.6 | 174.2 | 175.9 | 177.6 | 1.2 | 114.9 | D212 D213 F217 A218 V385 | D212-R215 WeakPolarHBondContact O-CD 3.21Å; D212-R215 WeakPolarHBondContact O-CG 3.48Å; D212-R215 PolarHBondContact O-NE 2.9Å; D212-R215 IonicContact OD1-CZ 2.73Å; D212-R215 IonicContact OD1-NE 2.65Å; D212-R215 PolarHBondContact OD1-NE 2.74Å; D212-R215 IonicContact OD1-NH2 3.45Å; D212-R215 PolarHBondContact OD1-NH2 2.55Å; D212-R215 IonicContact OD2-NH2 3.24Å; D212-R215 PolarHBondContact OD2-NH2 2.84Å; D213-R215 PolarHBondContact O-N 2.84Å; R215-F217 VanDerWaalsContact C-N 3.26Å; R215-F217 PolarHBondContact O-N 2.77Å; R215-A218 VanDerWaalsContact O-CB 3.26Å; R215-A218 WeakPolarHBondContact O-CB 3.41Å; R215-A218 PolarHBondContact O-N 2.98Å; R215-V385 HydrophobicContact CB-CG1 4Å; R215-V385 HydrophobicContact CG-CG1 4.13Å; R215-V385 HydrophobicContact CG-CG2 3.83Å |
| 216 | M | 90.3 | Very high | 93.7 | Very high | 96 Ų | 96 | 34.4 Ų | 34.4 | 47% | 0.473 | 17% | 0.169 | S | C | . | . | G | 310 helix | trans | -66.3 | -24.4 | 174.5 | 67.3 | -168.6 | 176.8 | 0 | 0 | 113.7 | R156 E214 | R156-M216 HydrophobicContact CB-CE 4.16Å; R156-M216 HydrophobicContact CG-CE 3.77Å; E214-M216 PolarHBondContact O-N 3.02Å |
| 217 | F | 93.6 | Very high | 93.6 | Very high | 5 Ų | 5 | 34.1 Ų | 34.1 | 2% | 0.022 | 17% | 0.167 | C | C | . | . | G | 310 helix | trans | -89.9 | -4.7 | 176 | -57.7 | -51.7 | 0 | 0 | 0 | 113.6 | I159 E160 L163 L208 E214 R215 F219 H220 T221 | I159-F217 HydrophobicContact CB-CE1 4.1Å; I159-F217 HydrophobicContact CB-CE2 4.19Å; I159-F217 HydrophobicContact CB-CZ 3.59Å; I159-F217 HydrophobicContact CD1-CE2 4.13Å; I159-F217 HydrophobicContact CD1-CZ 4.06Å; I159-F217 HydrophobicContact CG1-CZ 4.44Å; I159-F217 HydrophobicContact CG2-CD1 4.37Å; I159-F217 HydrophobicContact CG2-CD2 4.21Å; I159-F217 HydrophobicContact CG2-CE1 3.85Å; I159-F217 HydrophobicContact CG2-CE2 3.64Å; I159-F217 HydrophobicContact CG2-CZ 3.43Å; I159-F217 VanDerWaalsContact CG2-CZ 3.43Å; E160-F217 HydrophobicContact CB-CE1 4.06Å; L163-F217 HydrophobicContact CD1-CB 3.91Å; L163-F217 HydrophobicContact CD1-CD1 3.82Å; L163-F217 HydrophobicContact CD1-CG 3.89Å; L208-F217 HydrophobicContact CD2-CB 4.37Å; L208-F217 HydrophobicContact CD2-CD2 3.84Å; L208-F217 HydrophobicContact CD2-CG 4.47Å; E214-F217 HydrophobicContact CB-CD2 4.26Å; E214-F217 PolarHBondContact O-N 2.71Å; E214-F217 WeakPolarHBondContact OE2-CD2 3.3Å; E214-F217 VanDerWaalsContact OE2-CE2 3.3Å; E214-F217 WeakPolarHBondContact OE2-CE2 3.19Å; R215-F217 VanDerWaalsContact C-N 3.26Å; R215-F217 PolarHBondContact O-N 2.77Å; F217-F219 VanDerWaalsContact C-N 3.29Å; F217-F219 PolarHBondContact O-N 3.33Å; F217-F219 VanDerWaalsContact O-N 3.14Å; F217-H220 PolarHBondContact O-N 2.8Å; F217-T221 PolarHBondContact O-N 2.83Å; F217-T221 PolarHBondContact O-OG1 2.99Å; F217-T221 VanDerWaalsContact O-OG1 3.08Å |
| 218 | A | 93.7 | Very high | 93.6 | Very high | 4 Ų | 4 | 29.6 Ų | 29.6 | 3% | 0.033 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -53.9 | -39.6 | -172.7 | 0 | 0 | 0 | 0 | 0 | 114 | R215 L222 I382 V385 V386 | R215-A218 VanDerWaalsContact O-CB 3.26Å; R215-A218 WeakPolarHBondContact O-CB 3.41Å; R215-A218 PolarHBondContact O-N 2.98Å; A218-L222 VanDerWaalsContact O-CB 3.28Å; A218-L222 WeakPolarHBondContact O-CB 3.13Å; A218-L222 PolarHBondContact O-N 2.65Å; A218-I382 HydrophobicContact CB-CG1 4.1Å; A218-V385 HydrophobicContact CB-CB 4.46Å; A218-V385 HydrophobicContact CB-CG1 3.79Å; A218-V386 HydrophobicContact CB-CG2 4.15Å |
| 219 | F | 93 | Very high | 93.5 | Very high | 41 Ų | 41 | 29.4 Ų | 29.4 | 18% | 0.18 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -65.8 | -50.2 | 176.2 | -73.7 | -93 | 0 | 0 | 0 | 111.7 | F217 T221 L222 E223 V386 L390 T395 D399 | F217-F219 VanDerWaalsContact C-N 3.29Å; F217-F219 PolarHBondContact O-N 3.33Å; F217-F219 VanDerWaalsContact O-N 3.14Å; F219-T221 VanDerWaalsContact C-N 3.33Å; F219-T221 PolarHBondContact O-N 3.27Å; F219-L222 WeakPolarHBondContact O-CB 3.48Å; F219-L222 PolarHBondContact O-N 2.67Å; F219-L222 VanDerWaalsContact O-N 3.17Å; F219-E223 WeakPolarHBondContact O-CG 3.33Å; F219-E223 PolarHBondContact O-N 3.26Å; F219-V386 HydrophobicContact CD1-CG1 4.31Å; F219-V386 HydrophobicContact CD1-CG2 4.49Å; F219-V386 HydrophobicContact CD2-CG2 4.4Å; F219-V386 HydrophobicContact CE1-CB 4.38Å; F219-V386 HydrophobicContact CE1-CG1 3.67Å; F219-V386 HydrophobicContact CE1-CG2 4.36Å; F219-V386 HydrophobicContact CE2-CG2 4.25Å; F219-V386 HydrophobicContact CZ-CB 4.16Å; F219-V386 HydrophobicContact CZ-CG1 3.88Å; F219-V386 HydrophobicContact CZ-CG2 4.21Å; F219-L390 HydrophobicContact CE1-CD2 4.3Å; F219-L390 HydrophobicContact CE1-CG 4.26Å; F219-L390 HydrophobicContact CZ-CG 4.47Å; F219-T395 HydrophobicContact CD1-CG2 4.47Å; F219-T395 HydrophobicContact CE1-CG2 3.51Å; F219-T395 HydrophobicContact CE2-CG2 4.11Å; F219-T395 HydrophobicContact CZ-CG2 3.31Å; F219-D399 HydrophobicContact CD1-CB 3.97Å; F219-D399 HydrophobicContact CE1-CB 4.02Å |
| 220 | H | 94.3 | Very high | 93.3 | Very high | 13 Ų | 13 | 31.7 Ų | 31.7 | 6% | 0.06 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -59 | -41.7 | 176.8 | -65.4 | 116 | 0 | 0 | 0 | 112.5 | E160 L163 I164 F217 E223 I224 | E160-H220 IonicContact OE1-CE1 3.99Å; E160-H220 PolarHBondContact OE1-CE1 3.41Å; L163-H220 HydrophobicContact CB-CB 4.08Å; L163-H220 HydrophobicContact CD1-CB 4.17Å; I164-H220 WeakPolarHBondContact CG1-NE2 3.35Å; F217-H220 PolarHBondContact O-N 2.8Å; H220-E223 IonicContact CD2-OE1 2.69Å; H220-E223 PolarHBondContact O-N 2.75Å; H220-I224 VanDerWaalsContact O-CG1 3.26Å; H220-I224 WeakPolarHBondContact O-CG1 3.13Å; H220-I224 PolarHBondContact O-N 2.81Å |
| 221 | T | 96.1 | Very high | 92.9 | Very high | 0 Ų | 0 | 28.1 Ų | 28.1 | 0% | 0 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -64.2 | -42.2 | 175.9 | -54.2 | 0 | 0 | 0 | 0 | 111.5 | L205 L208 A209 F217 F219 I224 I225 I382 | L205-T221 HydrophobicContact CD2-CG2 4.02Å; L208-T221 HydrophobicContact CB-CG2 4.17Å; A209-T221 HydrophobicContact CB-CG2 3.89Å; F217-T221 PolarHBondContact O-N 2.83Å; F217-T221 PolarHBondContact O-OG1 2.99Å; F217-T221 VanDerWaalsContact O-OG1 3.08Å; F219-T221 VanDerWaalsContact C-N 3.33Å; F219-T221 PolarHBondContact O-N 3.27Å; T221-I224 PolarHBondContact O-N 2.99Å; T221-I225 HydrophobicContact CG2-CD1 4.03Å; T221-I225 WeakPolarHBondContact O-CB 3.3Å; T221-I225 VanDerWaalsContact O-CG1 3.31Å; T221-I225 WeakPolarHBondContact O-CG1 3.43Å; T221-I225 PolarHBondContact O-N 3.07Å; T221-I382 HydrophobicContact CG2-CD1 4.15Å |
| 222 | L | 95.5 | Very high | 92.7 | Very high | 1 Ų | 1 | 27.1 Ų | 27.1 | 1% | 0.005 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -65 | -43 | 175.6 | -167.1 | 79.9 | 0 | 0 | 0 | 112.2 | A218 F219 I225 S226 I382 M383 V386 F403 T406 | A218-L222 VanDerWaalsContact O-CB 3.28Å; A218-L222 WeakPolarHBondContact O-CB 3.13Å; A218-L222 PolarHBondContact O-N 2.65Å; F219-L222 WeakPolarHBondContact O-CB 3.48Å; F219-L222 PolarHBondContact O-N 2.67Å; F219-L222 VanDerWaalsContact O-N 3.17Å; L222-I225 PolarHBondContact O-N 3.17Å; L222-S226 WeakPolarHBondContact O-CB 3.2Å; L222-S226 PolarHBondContact O-N 3.47Å; L222-S226 PolarHBondContact O-OG 3.3Å; L222-I382 HydrophobicContact CB-CD1 4.19Å; L222-I382 HydrophobicContact CD1-CD1 4.23Å; L222-M383 HydrophobicContact CD1-SD 4.02Å; L222-V386 HydrophobicContact CD2-CG1 4Å; L222-V386 HydrophobicContact CD2-CG2 4.19Å; L222-F403 HydrophobicContact CD2-CB 4.43Å; L222-T406 HydrophobicContact CD1-CG2 3.68Å |
| 223 | E | 94.7 | Very high | 92.8 | Very high | 9 Ų | 9 | 24 Ų | 24 | 4% | 0.042 | 11% | 0.111 | C | C | . | . | H | α-helix | trans | -56.1 | -54.1 | 173.6 | -72.8 | -163 | -99.5 | 0 | 0 | 110.2 | R167 F219 H220 I225 S226 L227 Y402 | R167-E223 HydrophobicContact CG-CB 3.89Å; R167-E223 IonicContact CZ-OE1 2.65Å; R167-E223 IonicContact CZ-OE2 3.18Å; R167-E223 VanDerWaalsContact NE-CD 3.32Å; R167-E223 IonicContact NE-OE1 3.34Å; R167-E223 PolarHBondContact NE-OE1 3.04Å; R167-E223 IonicContact NE-OE2 2.67Å; R167-E223 PolarHBondContact NE-OE2 3.3Å; R167-E223 IonicContact NH2-OE1 2.74Å; R167-E223 PolarHBondContact NH2-OE1 3Å; R167-E223 IonicContact NH2-OE2 3.72Å; F219-E223 WeakPolarHBondContact O-CG 3.33Å; F219-E223 PolarHBondContact O-N 3.26Å; H220-E223 IonicContact CD2-OE1 2.69Å; H220-E223 PolarHBondContact O-N 2.75Å; E223-I225 PolarHBondContact O-N 3.04Å; E223-S226 PolarHBondContact O-N 3.18Å; E223-S226 PolarHBondContact O-OG 3.08Å; E223-L227 WeakPolarHBondContact O-CB 3.39Å; E223-L227 VanDerWaalsContact O-CG 3.26Å; E223-L227 WeakPolarHBondContact O-CG 3.3Å; E223-L227 PolarHBondContact O-N 3.3Å; E223-Y402 HydrophobicContact CG-CD1 4.48Å; E223-Y402 HydrophobicContact CG-CD2 3.67Å; E223-Y402 HydrophobicContact CG-CE1 4.4Å; E223-Y402 HydrophobicContact CG-CE2 3.55Å; E223-Y402 HydrophobicContact CG-CG 4.1Å; E223-Y402 VanDerWaalsContact OE2-CE2 3.24Å; E223-Y402 WeakPolarHBondContact OE2-CE2 3.43Å; E223-Y402 VanDerWaalsContact OE2-CZ 3.31Å; E223-Y402 PolarHBondContact OE2-OH 3.16Å |
| 224 | I | 97.1 | Very high | 93 | Very high | 0 Ų | 0 | 20 Ų | 20 | 0% | 0 | 9% | 0.09 | C | C | . | . | H | α-helix | trans | -56.1 | -50.3 | -179.6 | -69.8 | 165.5 | 0 | 0 | 0 | 110.9 | L163 I166 R167 L170 M196 L205 H220 T221 S226 L227 M228 | L163-I224 HydrophobicContact CB-CD1 4.04Å; L163-I224 HydrophobicContact CD2-CD1 3.72Å; L163-I224 HydrophobicContact CG-CD1 4.48Å; I166-I224 HydrophobicContact CB-CD1 4.44Å; I166-I224 HydrophobicContact CG2-CD1 4.3Å; I166-I224 HydrophobicContact CG2-CG1 4.35Å; I166-I224 HydrophobicContact CG2-CG2 4.27Å; R167-I224 HydrophobicContact CB-CG1 3.91Å; L170-I224 HydrophobicContact CD1-CG2 3.84Å; M196-I224 HydrophobicContact CE-CG2 4.29Å; L205-I224 HydrophobicContact CD1-CG2 3.65Å; L205-I224 HydrophobicContact CD2-CB 4.3Å; L205-I224 HydrophobicContact CD2-CD1 4.19Å; L205-I224 HydrophobicContact CD2-CG2 3.88Å; L205-I224 HydrophobicContact CG-CG2 4.45Å; H220-I224 VanDerWaalsContact O-CG1 3.26Å; H220-I224 WeakPolarHBondContact O-CG1 3.13Å; H220-I224 PolarHBondContact O-N 2.81Å; T221-I224 PolarHBondContact O-N 2.99Å; I224-S226 PolarHBondContact O-N 3.33Å; I224-L227 PolarHBondContact O-N 2.95Å; I224-L227 VanDerWaalsContact O-N 3.15Å; I224-M228 HydrophobicContact CG2-CG 4.34Å; I224-M228 HydrophobicContact CG2-SD 3.96Å; I224-M228 VanDerWaalsContact O-CG 3.3Å; I224-M228 WeakPolarHBondContact O-CG 3.21Å; I224-M228 PolarHBondContact O-N 3.29Å |
| 225 | I | 97 | Very high | 92.8 | Very high | 0 Ų | 0 | 23.2 Ų | 23.2 | 0% | 0 | 11% | 0.106 | C | C | . | . | H | α-helix | trans | -62.1 | -41.7 | -179.5 | -70.4 | 173.9 | 0 | 0 | 0 | 111.6 | T221 L222 E223 L227 M228 L229 F370 F374 F410 | T221-I225 HydrophobicContact CG2-CD1 4.03Å; T221-I225 WeakPolarHBondContact O-CB 3.3Å; T221-I225 VanDerWaalsContact O-CG1 3.31Å; T221-I225 WeakPolarHBondContact O-CG1 3.43Å; T221-I225 PolarHBondContact O-N 3.07Å; L222-I225 PolarHBondContact O-N 3.17Å; E223-I225 PolarHBondContact O-N 3.04Å; I225-L227 VanDerWaalsContact C-N 3.32Å; I225-L227 PolarHBondContact O-N 3.42Å; I225-M228 PolarHBondContact O-N 2.74Å; I225-L229 HydrophobicContact CG2-CD1 4.07Å; I225-L229 PolarHBondContact O-N 2.79Å; I225-F370 HydrophobicContact CD1-CE1 4.34Å; I225-F370 HydrophobicContact CD1-CZ 3.99Å; I225-F370 HydrophobicContact CG1-CE1 4.1Å; I225-F370 HydrophobicContact CG1-CZ 3.94Å; I225-F370 HydrophobicContact CG2-CE1 4.19Å; I225-F374 HydrophobicContact CD1-CD2 3.7Å; I225-F374 HydrophobicContact CD1-CE2 3.38Å; I225-F374 HydrophobicContact CD1-CZ 4.08Å; I225-F374 HydrophobicContact CG2-CZ 4.4Å; I225-F410 HydrophobicContact CG2-CE2 4Å; I225-F410 HydrophobicContact CG2-CZ 3.93Å |
| 226 | S | 95.1 | Very high | 92.6 | Very high | 4 Ų | 4 | 18.2 Ų | 18.2 | 3% | 0.028 | 9% | 0.088 | C | C | . | . | H | α-helix | trans | -64.5 | -36.5 | 176.1 | 75.1 | 0 | 0 | 0 | 0 | 112.6 | L222 E223 I224 L229 R230 Y402 W405 | L222-S226 WeakPolarHBondContact O-CB 3.2Å; L222-S226 PolarHBondContact O-N 3.47Å; L222-S226 PolarHBondContact O-OG 3.3Å; E223-S226 PolarHBondContact O-N 3.18Å; E223-S226 PolarHBondContact O-OG 3.08Å; I224-S226 PolarHBondContact O-N 3.33Å; S226-L229 PolarHBondContact O-N 3.04Å; S226-R230 PolarHBondContact O-N 3.13Å; S226-R230 VanDerWaalsContact O-N 3.08Å; S226-Y402 VanDerWaalsContact OG-CD1 3.24Å; S226-Y402 WeakPolarHBondContact OG-CD1 3.37Å; S226-W405 VanDerWaalsContact CB-CE3 3.49Å |
| 227 | L | 94.8 | Very high | 92.6 | Very high | 15 Ų | 15 | 13.6 Ų | 13.6 | 8% | 0.079 | 7% | 0.065 | C | C | . | . | H | α-helix | trans | -78.8 | -30.4 | -179.9 | -67.8 | 170.6 | 0 | 0 | 0 | 112.7 | R167 L170 H171 H189 E223 I224 I225 L229 R230 | R167-L227 HydrophobicContact CG-CD1 3.86Å; R167-L227 WeakPolarHBondContact O-CD1 3.14Å; L170-L227 HydrophobicContact CB-CB 3.75Å; L170-L227 HydrophobicContact CB-CD1 4.44Å; L170-L227 HydrophobicContact CD1-CB 4.5Å; H171-L227 HydrophobicContact CB-CD1 3.94Å; H171-L227 HydrophobicContact CB-CD2 4.38Å; H189-L227 PolarHBondContact CE1-O 3.2Å; H189-L227 PolarHBondContact NE2-O 3.31Å; E223-L227 WeakPolarHBondContact O-CB 3.39Å; E223-L227 VanDerWaalsContact O-CG 3.26Å; E223-L227 WeakPolarHBondContact O-CG 3.3Å; E223-L227 PolarHBondContact O-N 3.3Å; I224-L227 PolarHBondContact O-N 2.95Å; I224-L227 VanDerWaalsContact O-N 3.15Å; I225-L227 VanDerWaalsContact C-N 3.32Å; I225-L227 PolarHBondContact O-N 3.42Å; L227-L229 VanDerWaalsContact C-N 3.29Å; L227-L229 PolarHBondContact O-N 3.41Å; L227-R230 WeakPolarHBondContact O-CD 3.41Å; L227-R230 VanDerWaalsContact O-CG 3.29Å; L227-R230 WeakPolarHBondContact O-CG 3.28Å |
| 228 | M | 95.4 | Very high | 92.4 | Very high | 0 Ų | 0 | 13.7 Ų | 13.7 | 0% | 0 | 7% | 0.067 | C | C | . | . | H | α-helix | trans | -57.8 | -45.5 | 168.6 | -73.5 | 168.3 | 69.7 | 0 | 0 | 110.6 | L170 H189 L193 M196 L205 I224 I225 Y366 F370 | L170-M228 HydrophobicContact CD1-CG 3.88Å; H189-M228 PolarHBondContact NE2-O 2.82Å; L193-M228 HydrophobicContact CD2-CB 3.62Å; L193-M228 HydrophobicContact CD2-CE 4.16Å; L193-M228 HydrophobicContact CD2-CG 3.7Å; M196-M228 HydrophobicContact CE-CE 4.32Å; M196-M228 HydrophobicContact CE-CG 4.28Å; M196-M228 HydrophobicContact CE-SD 3.86Å; L205-M228 HydrophobicContact CD1-SD 3.72Å; I224-M228 HydrophobicContact CG2-CG 4.34Å; I224-M228 HydrophobicContact CG2-SD 3.96Å; I224-M228 VanDerWaalsContact O-CG 3.3Å; I224-M228 WeakPolarHBondContact O-CG 3.21Å; I224-M228 PolarHBondContact O-N 3.29Å; I225-M228 PolarHBondContact O-N 2.74Å; M228-Y366 WeakPolarHBondContact CE-OH 3.46Å; M228-F370 HydrophobicContact CE-CE1 4.34Å; M228-F370 HydrophobicContact CE-CZ 4.38Å |
| 229 | L | 94.1 | Very high | 92.1 | Very high | 0 Ų | 0 | 14.5 Ų | 14.5 | 0% | 0 | 7% | 0.072 | C | C | . | . | H | α-helix | trans | -90.8 | -4.2 | -171.9 | -66 | 165 | 0 | 0 | 0 | 114.5 | I225 S226 L227 E231 Q232 L237 L367 W405 F409 F410 | I225-L229 HydrophobicContact CG2-CD1 4.07Å; I225-L229 PolarHBondContact O-N 2.79Å; S226-L229 PolarHBondContact O-N 3.04Å; L227-L229 VanDerWaalsContact C-N 3.29Å; L227-L229 PolarHBondContact O-N 3.41Å; L229-E231 VanDerWaalsContact C-N 3.27Å; L229-E231 PolarHBondContact O-N 3.27Å; L229-E231 VanDerWaalsContact O-N 3.07Å; L229-Q232 WeakPolarHBondContact O-CB 3.26Å; L229-Q232 PolarHBondContact O-N 3.26Å; L229-L237 HydrophobicContact CD2-CD1 3.8Å; L229-L367 HydrophobicContact CD2-CB 4.18Å; L229-L367 HydrophobicContact CD2-CD1 4.3Å; L229-L367 HydrophobicContact CD2-CD2 3.95Å; L229-L367 HydrophobicContact CD2-CG 4.38Å; L229-W405 HydrophobicContact CB-CH2 3.59Å; L229-W405 HydrophobicContact CB-CZ3 4.29Å; L229-F409 HydrophobicContact CB-CE1 4.22Å; L229-F409 HydrophobicContact CB-CE2 4.31Å; L229-F409 HydrophobicContact CB-CZ 3.95Å; L229-F409 HydrophobicContact CD1-CD1 4.26Å; L229-F409 HydrophobicContact CD1-CE1 3.84Å; L229-F409 HydrophobicContact CD1-CZ 4.39Å; L229-F409 HydrophobicContact CD2-CE1 4.21Å; L229-F409 HydrophobicContact CD2-CZ 4.13Å; L229-F409 HydrophobicContact CG-CE1 4.32Å; L229-F409 HydrophobicContact CG-CZ 4.39Å; L229-F410 HydrophobicContact CD1-CE1 4.34Å; L229-F410 HydrophobicContact CD1-CE2 3.9Å; L229-F410 HydrophobicContact CD1-CZ 3.44Å; L229-F410 VanDerWaalsContact CD1-CZ 3.44Å |
| 230 | R | 89.9 | Confident | 91.7 | Very high | 53 Ų | 53 | 12.8 Ų | 12.8 | 20% | 0.2 | 7% | 0.066 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -54.9 | -29.1 | -169.9 | 78.2 | -172.6 | -169.6 | 160.6 | 3.4 | 116.5 | L170 H171 I172 S226 L227 | L170-R230 VanDerWaalsContact O-CZ 3.31Å; L170-R230 PolarHBondContact O-NH1 3.04Å; H171-R230 PolarHBondContact O-NH1 2.93Å; I172-R230 VanDerWaalsContact O-CZ 3.28Å; I172-R230 PolarHBondContact O-NH1 2.97Å; I172-R230 PolarHBondContact O-NH2 3.3Å; S226-R230 PolarHBondContact O-N 3.13Å; S226-R230 VanDerWaalsContact O-N 3.08Å; L227-R230 WeakPolarHBondContact O-CD 3.41Å; L227-R230 VanDerWaalsContact O-CG 3.29Å; L227-R230 WeakPolarHBondContact O-CG 3.28Å |
| 231 | E | 86.9 | Confident | 91 | Very high | 7 Ų | 7 | 14.1 Ų | 14.1 | 3% | 0.033 | 8% | 0.083 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -92.4 | -8.3 | -175.1 | -55.2 | -171.5 | -176.6 | 0 | 0 | 112.3 | H189 L229 H356 R357 | H189-E231 IonicContact CD2-OE1 3.77Å; H189-E231 IonicContact CD2-OE2 3.4Å; H189-E231 IonicContact CG-OE1 2.69Å; H189-E231 IonicContact CG-OE2 3.74Å; H189-E231 IonicContact ND1-OE1 3.61Å; L229-E231 VanDerWaalsContact C-N 3.27Å; L229-E231 PolarHBondContact O-N 3.27Å; L229-E231 VanDerWaalsContact O-N 3.07Å; E231-H356 WeakPolarHBondContact O-CA 3.43Å; E231-R357 PolarHBondContact O-N 3.26Å |
| 232 | Q | 88.9 | Confident | 90.3 | Very high | 5 Ų | 5 | 17.2 Ų | 17.2 | 2% | 0.023 | 10% | 0.099 | C | C | . | . | S | Bend | trans | -95.3 | 160.3 | -178.4 | -50.6 | -57.6 | -47.4 | 0 | 0 | 111.9 | L229 L237 S359 L367 F409 | L229-Q232 WeakPolarHBondContact O-CB 3.26Å; L229-Q232 PolarHBondContact O-N 3.26Å; Q232-L237 HydrophobicContact CB-CD1 3.99Å; Q232-L237 HydrophobicContact CB-CD2 4.39Å; Q232-L237 HydrophobicContact CB-CG 4.02Å; Q232-L237 HydrophobicContact CG-CD1 4.09Å; Q232-L237 HydrophobicContact CG-CD2 4.15Å; Q232-L237 HydrophobicContact CG-CG 4.25Å; Q232-S359 PolarHBondContact NE2-OG 2.94Å; Q232-L367 HydrophobicContact CG-CD1 3.9Å; Q232-F409 HydrophobicContact CB-CE2 4.49Å; Q232-F409 HydrophobicContact CB-CZ 4.46Å |
| 233 | T | 89.1 | Confident | 89.1 | Confident | 29 Ų | 29 | 27.7 Ų | 27.7 | 18% | 0.178 | 14% | 0.139 | C | C | . | . | trans | -105.3 | 146.6 | 158.1 | 65.2 | 0 | 0 | 0 | 0 | 109.9 | E235 L236 L237 H356 | T233-E235 VanDerWaalsContact C-N 3.29Å; T233-E235 PolarHBondContact O-N 3.07Å; T233-L236 PolarHBondContact O-N 2.72Å; T233-L236 WeakPolarHBondContact OG1-CB 3Å; T233-L236 WeakPolarHBondContact OG1-CD1 3.45Å; T233-L236 VanDerWaalsContact OG1-CG 3.23Å; T233-L236 WeakPolarHBondContact OG1-CG 3.16Å; T233-L236 PolarHBondContact OG1-N 2.75Å; T233-L237 PolarHBondContact O-N 2.92Å; T233-H356 HydrophobicContact CG2-CB 4.22Å; T233-H356 VanDerWaalsContact CG2-CD2 3.41Å; T233-H356 WeakPolarHBondContact CG2-CD2 3.5Å | ||
| 234 | P | 92.3 | Very high | 88.1 | Confident | 7 Ų | 7 | 30.7 Ų | 30.7 | 5% | 0.045 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -64.3 | -34.3 | -178.8 | 21.8 | -27.8 | 0 | 0 | 0 | 112 | L237 A238 F409 A412 F413 | P234-L237 PolarHBondContact O-N 2.8Å; P234-A238 VanDerWaalsContact O-CB 3.23Å; P234-A238 WeakPolarHBondContact O-CB 3.34Å; P234-A238 PolarHBondContact O-N 2.9Å; P234-F409 HydrophobicContact CB-CD1 4.42Å; P234-F409 HydrophobicContact CB-CD2 4.25Å; P234-F409 HydrophobicContact CB-CE1 4.33Å; P234-F409 HydrophobicContact CB-CE2 4.19Å; P234-F409 HydrophobicContact CB-CG 4.38Å; P234-F409 HydrophobicContact CB-CZ 4.23Å; P234-F409 WeakPolarHBondContact CB-O 3.24Å; P234-F409 HydrophobicContact CG-CD2 4.17Å; P234-F409 HydrophobicContact CG-CE2 4.37Å; P234-A412 HydrophobicContact CB-CB 3.99Å; P234-A412 HydrophobicContact CG-CB 3.51Å; P234-F413 HydrophobicContact CB-CB 3.78Å |
| 235 | E | 88.1 | Confident | 86.8 | Confident | 72 Ų | 72 | 34.9 Ų | 34.9 | 34% | 0.336 | 19% | 0.185 | S | C | . | . | H | α-helix | trans | -59.8 | -44.7 | 171.9 | -73.2 | 70.3 | -158.5 | 0 | 0 | 113 | T233 L237 A238 C239 R415 V416 | T233-E235 VanDerWaalsContact C-N 3.29Å; T233-E235 PolarHBondContact O-N 3.07Å; E235-L237 PolarHBondContact O-N 3.36Å; E235-A238 PolarHBondContact O-N 3.33Å; E235-C239 PolarHBondContact O-N 2.77Å; E235-R415 IonicContact OE1-CZ 3.61Å; E235-R415 IonicContact OE1-NH1 2.74Å; E235-R415 PolarHBondContact OE1-NH1 3.47Å; E235-R415 IonicContact OE1-NH2 2.69Å; E235-R415 PolarHBondContact OE1-NH2 3Å; E235-V416 HydrophobicContact CG-CG2 4.38Å |
| 236 | L | 85.1 | Confident | 85.5 | Confident | 21 Ų | 21 | 36.3 Ų | 36.3 | 11% | 0.11 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -68.5 | -32.7 | -178.8 | -77.6 | 173.4 | 0 | 0 | 0 | 112.8 | T233 A240 E249 | T233-L236 PolarHBondContact O-N 2.72Å; T233-L236 WeakPolarHBondContact OG1-CB 3Å; T233-L236 WeakPolarHBondContact OG1-CD1 3.45Å; T233-L236 VanDerWaalsContact OG1-CG 3.23Å; T233-L236 WeakPolarHBondContact OG1-CG 3.16Å; T233-L236 PolarHBondContact OG1-N 2.75Å; L236-A240 PolarHBondContact O-N 3.07Å; L236-E249 WeakPolarHBondContact CD2-OE2 3.25Å |
| 237 | L | 90.7 | Very high | 84.3 | Confident | 0 Ų | 0 | 43 Ų | 43 | 0% | 0 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -75.4 | -39.7 | 172.2 | -66.4 | -174.4 | 0 | 0 | 0 | 111.8 | L229 Q232 T233 P234 E235 C239 A240 Q364 L367 Q368 F409 F413 | L229-L237 HydrophobicContact CD2-CD1 3.8Å; Q232-L237 HydrophobicContact CB-CD1 3.99Å; Q232-L237 HydrophobicContact CB-CD2 4.39Å; Q232-L237 HydrophobicContact CB-CG 4.02Å; Q232-L237 HydrophobicContact CG-CD1 4.09Å; Q232-L237 HydrophobicContact CG-CD2 4.15Å; Q232-L237 HydrophobicContact CG-CG 4.25Å; T233-L237 PolarHBondContact O-N 2.92Å; P234-L237 PolarHBondContact O-N 2.8Å; E235-L237 PolarHBondContact O-N 3.36Å; L237-C239 VanDerWaalsContact C-N 3.32Å; L237-C239 PolarHBondContact O-N 2.78Å; L237-A240 VanDerWaalsContact O-CB 3.23Å; L237-A240 WeakPolarHBondContact O-CB 3.48Å; L237-A240 PolarHBondContact O-N 3.46Å; L237-A240 VanDerWaalsContact O-N 3.12Å; L237-Q364 HydrophobicContact CD2-CB 4.15Å; L237-Q364 HydrophobicContact CD2-CG 4.49Å; L237-L367 HydrophobicContact CD1-CB 3.94Å; L237-L367 HydrophobicContact CD2-CB 4.06Å; L237-L367 HydrophobicContact CD2-CD1 4.34Å; L237-Q368 PolarHBondContact O-NE2 3.15Å; L237-F409 HydrophobicContact CD1-CE1 4.46Å; L237-F409 HydrophobicContact CD1-CZ 3.93Å; L237-F413 HydrophobicContact CB-CD2 4.14Å; L237-F413 HydrophobicContact CB-CE2 3.84Å |
| 238 | A | 89.3 | Confident | 83.4 | Confident | 7 Ų | 7 | 45.3 Ų | 45.3 | 6% | 0.058 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -61.1 | -40.6 | 178.2 | 0 | 0 | 0 | 0 | 0 | 111.9 | P234 E235 A240 Q368 F413 V416 Y417 | P234-A238 VanDerWaalsContact O-CB 3.23Å; P234-A238 WeakPolarHBondContact O-CB 3.34Å; P234-A238 PolarHBondContact O-N 2.9Å; E235-A238 PolarHBondContact O-N 3.33Å; A238-A240 VanDerWaalsContact C-N 3.32Å; A238-A240 PolarHBondContact O-N 3.25Å; A238-Q368 PolarHBondContact O-NE2 2.87Å; A238-F413 HydrophobicContact CB-CD2 4.18Å; A238-F413 HydrophobicContact CB-CE2 4.29Å; A238-V416 HydrophobicContact CB-CB 3.64Å; A238-V416 HydrophobicContact CB-CG1 3.54Å; A238-Y417 WeakPolarHBondContact O-CD2 3.28Å |
| 239 | C | 86 | Confident | 82.2 | Confident | 20 Ų | 20 | 48.8 Ų | 48.8 | 14% | 0.135 | 26% | 0.256 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -86.1 | 7.5 | 176.3 | -65.8 | 0 | 0 | 0 | 0 | 114.4 | E235 L237 N242 E245 T246 | E235-C239 PolarHBondContact O-N 2.77Å; L237-C239 VanDerWaalsContact C-N 3.32Å; L237-C239 PolarHBondContact O-N 2.78Å; C239-N242 PolarHBondContact O-N 3.07Å; C239-E245 HydrophobicContact CB-CB 4.15Å; C239-E245 PolarHBondContact SG-OE2 3.21Å; C239-T246 PolarHBondContact O-OG1 3.39Å |
| 240 | A | 84.6 | Confident | 81.1 | Confident | 6 Ų | 6 | 52.3 Ų | 52.3 | 5% | 0.05 | 27% | 0.274 | C | S | . | . | S | Bend | trans | -63.2 | 142.4 | 175.5 | 0 | 0 | 0 | 0 | 0 | 111.1 | L236 L237 A238 N242 Q364 L365 Q368 | L236-A240 PolarHBondContact O-N 3.07Å; L237-A240 VanDerWaalsContact O-CB 3.23Å; L237-A240 WeakPolarHBondContact O-CB 3.48Å; L237-A240 PolarHBondContact O-N 3.46Å; L237-A240 VanDerWaalsContact O-N 3.12Å; A238-A240 VanDerWaalsContact C-N 3.32Å; A238-A240 PolarHBondContact O-N 3.25Å; A240-N242 PolarHBondContact O-N 2.9Å; A240-Q364 HydrophobicContact CB-CB 3.84Å; A240-L365 HydrophobicContact CB-CD2 4.47Å; A240-Q368 PolarHBondContact O-NE2 3.47Å |
| 241 | G | 80.7 | Confident | 80.6 | Confident | 40 Ų | 40 | 53.2 Ų | 53.2 | 41% | 0.412 | 28% | 0.283 | S | S | . | . | S | Bend | trans | 73.5 | -29.3 | -174 | 0 | 0 | 0 | 0 | 0 | 115.4 | R243 | G241-R243 VanDerWaalsContact C-N 3.34Å; G241-R243 PolarHBondContact O-N 3.08Å |
| 242 | N | 81.5 | Confident | 80 | Confident | 66 Ų | 66 | 59.2 Ų | 59.2 | 35% | 0.353 | 31% | 0.309 | S | S | . | . | trans | -74.8 | 80.9 | -178 | -171 | -4 | 0 | 0 | 0 | 112.5 | C239 A240 A244 E245 T246 | C239-N242 PolarHBondContact O-N 3.07Å; A240-N242 PolarHBondContact O-N 2.9Å; N242-A244 PolarHBondContact O-N 2.95Å; N242-A244 PolarHBondContact OD1-N 3.37Å; N242-E245 HydrophobicContact CB-CB 4.32Å; N242-E245 WeakPolarHBondContact ND2-CG 3.49Å; N242-E245 PolarHBondContact ND2-OE2 2.72Å; N242-E245 PolarHBondContact O-N 2.9Å; N242-T246 PolarHBondContact O-N 3.08Å; N242-T246 PolarHBondContact O-OG1 2.9Å | ||
| 243 | R | 69.8 | Low | 79.2 | Confident | 220 Ų | 220 | 64.2 Ų | 64.2 | 83% | 0.83 | 33% | 0.328 | S | S | * | . | H | α-helix | trans | -46.4 | -30.4 | -179 | -69.4 | -175.4 | 175.4 | -170.6 | -1.6 | 114.6 | G241 K247 | G241-R243 VanDerWaalsContact C-N 3.34Å; G241-R243 PolarHBondContact O-N 3.08Å; R243-K247 WeakPolarHBondContact O-CB 3.24Å; R243-K247 PolarHBondContact O-N 2.66Å; R243-K247 VanDerWaalsContact O-N 3.13Å |
| 244 | A | 74.2 | Confident | 78.7 | Confident | 73 Ų | 73 | 70.1 Ų | 70.1 | 60% | 0.603 | 35% | 0.347 | S | S | * | . | H | α-helix | trans | -71.9 | -47.7 | 178.2 | 0 | 0 | 0 | 0 | 0 | 111.9 | N242 S248 | N242-A244 PolarHBondContact O-N 2.95Å; N242-A244 PolarHBondContact OD1-N 3.37Å; A244-S248 WeakPolarHBondContact O-CB 3.47Å; A244-S248 PolarHBondContact O-N 3.22Å |
| 245 | E | 70.2 | Confident | 78 | Confident | 88 Ų | 88 | 76 Ų | 76 | 41% | 0.411 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -71.2 | -44.9 | 177.6 | -73.1 | 177.4 | 159.5 | 0 | 0 | 111.5 | C239 N242 K247 S248 E249 | C239-E245 HydrophobicContact CB-CB 4.15Å; C239-E245 PolarHBondContact SG-OE2 3.21Å; N242-E245 HydrophobicContact CB-CB 4.32Å; N242-E245 WeakPolarHBondContact ND2-CG 3.49Å; N242-E245 PolarHBondContact ND2-OE2 2.72Å; N242-E245 PolarHBondContact O-N 2.9Å; E245-K247 VanDerWaalsContact C-N 3.26Å; E245-K247 PolarHBondContact O-N 2.95Å; E245-S248 CarbonylContact O-C 3.6Å; E245-S248 WeakPolarHBondContact O-CA 3.34Å; E245-S248 WeakPolarHBondContact O-CB 3.33Å; E245-S248 PolarHBondContact O-N 2.58Å; E245-E249 PolarHBondContact O-N 3.1Å |
| 246 | T | 68.6 | Low | 77.5 | Confident | 29 Ų | 29 | 75.4 Ų | 75.4 | 18% | 0.178 | 37% | 0.37 | C | S | . | . | H | α-helix | trans | -57.4 | -41.9 | 175.5 | -30.6 | 0 | 0 | 0 | 0 | 110.8 | C239 N242 L250 | C239-T246 PolarHBondContact O-OG1 3.39Å; N242-T246 PolarHBondContact O-N 3.08Å; N242-T246 PolarHBondContact O-OG1 2.9Å; T246-L250 WeakPolarHBondContact O-CB 3.46Å; T246-L250 PolarHBondContact O-N 3.29Å |
| 247 | K | 70 | Confident | 77.2 | Confident | 146 Ų | 146 | 79.5 Ų | 79.5 | 64% | 0.635 | 39% | 0.391 | S | S | * | . | H | α-helix | trans | -70.1 | -31.3 | 176 | -172.4 | 173.7 | -176.8 | 177 | 0 | 112.7 | R243 E245 N251 | R243-K247 WeakPolarHBondContact O-CB 3.24Å; R243-K247 PolarHBondContact O-N 2.66Å; R243-K247 VanDerWaalsContact O-N 3.13Å; E245-K247 VanDerWaalsContact C-N 3.26Å; E245-K247 PolarHBondContact O-N 2.95Å; K247-N251 WeakPolarHBondContact O-CB 3.49Å; K247-N251 PolarHBondContact O-N 3.07Å; K247-N251 PolarHBondContact O-ND2 3.01Å; K247-N251 VanDerWaalsContact O-ND2 3.17Å |
| 248 | S | 75.4 | Confident | 76.7 | Confident | 63 Ų | 63 | 84.7 Ų | 84.7 | 44% | 0.441 | 42% | 0.416 | S | S | . | . | H | α-helix | trans | -67.4 | -49.1 | 173.7 | -171.7 | 0 | 0 | 0 | 0 | 111.4 | A244 E245 N251 K252 | A244-S248 WeakPolarHBondContact O-CB 3.47Å; A244-S248 PolarHBondContact O-N 3.22Å; E245-S248 CarbonylContact O-C 3.6Å; E245-S248 WeakPolarHBondContact O-CA 3.34Å; E245-S248 WeakPolarHBondContact O-CB 3.33Å; E245-S248 PolarHBondContact O-N 2.58Å; S248-N251 WeakPolarHBondContact O-CB 3.21Å; S248-N251 PolarHBondContact O-N 3.19Å; S248-K252 WeakPolarHBondContact O-CG 3.39Å; S248-K252 PolarHBondContact O-N 2.95Å |
| 249 | E | 70.4 | Confident | 76 | Confident | 72 Ų | 72 | 88 Ų | 88 | 34% | 0.336 | 43% | 0.427 | S | S | . | . | H | α-helix | trans | -66.2 | -45.7 | 177.5 | -166.8 | -168.8 | 166.4 | 0 | 0 | 111.7 | L236 E245 N251 K252 R253 | L236-E249 WeakPolarHBondContact CD2-OE2 3.25Å; E245-E249 PolarHBondContact O-N 3.1Å; E249-N251 PolarHBondContact O-N 3.45Å; E249-K252 CarbonylContact O-C 3.56Å; E249-K252 WeakPolarHBondContact O-CA 3.39Å; E249-K252 WeakPolarHBondContact O-CB 3.47Å; E249-K252 PolarHBondContact O-N 3.38Å; E249-R253 WeakPolarHBondContact O-CB 3.49Å; E249-R253 PolarHBondContact O-N 3.43Å |
| 250 | L | 72.7 | Confident | 75.6 | Confident | 75 Ų | 75 | 89.9 Ų | 89.9 | 39% | 0.393 | 44% | 0.435 | S | S | . | . | H | α-helix | trans | -63 | -32.7 | 176.7 | -159.8 | 158.2 | 0 | 0 | 0 | 110.9 | T246 R254 | T246-L250 WeakPolarHBondContact O-CB 3.46Å; T246-L250 PolarHBondContact O-N 3.29Å; L250-R254 WeakPolarHBondContact O-CB 3.22Å; L250-R254 PolarHBondContact O-N 3.24Å |
| 251 | N | 77.5 | Confident | 75.5 | Confident | 71 Ų | 71 | 95.9 Ų | 95.9 | 38% | 0.38 | 46% | 0.46 | S | S | . | . | H | α-helix | trans | -67.4 | -39.5 | 168.3 | -82.8 | -25.8 | 0 | 0 | 0 | 113.3 | K247 S248 E249 K255 | K247-N251 WeakPolarHBondContact O-CB 3.49Å; K247-N251 PolarHBondContact O-N 3.07Å; K247-N251 PolarHBondContact O-ND2 3.01Å; K247-N251 VanDerWaalsContact O-ND2 3.17Å; S248-N251 WeakPolarHBondContact O-CB 3.21Å; S248-N251 PolarHBondContact O-N 3.19Å; E249-N251 PolarHBondContact O-N 3.45Å; N251-K255 WeakPolarHBondContact O-CB 3.48Å; N251-K255 VanDerWaalsContact O-CG 3.29Å; N251-K255 WeakPolarHBondContact O-CG 3.4Å; N251-K255 PolarHBondContact O-N 3.21Å |
| 252 | K | 74.8 | Confident | 75.4 | Confident | 134 Ų | 134 | 99.1 Ų | 99.1 | 58% | 0.583 | 47% | 0.466 | S | S | * | . | H | α-helix | trans | -62.9 | -48 | 173.3 | -69.7 | 177.6 | -177.7 | -175.7 | 0 | 111 | S248 E249 K255 L256 | S248-K252 WeakPolarHBondContact O-CG 3.39Å; S248-K252 PolarHBondContact O-N 2.95Å; E249-K252 CarbonylContact O-C 3.56Å; E249-K252 WeakPolarHBondContact O-CA 3.39Å; E249-K252 WeakPolarHBondContact O-CB 3.47Å; E249-K252 PolarHBondContact O-N 3.38Å; K252-K255 PolarHBondContact O-N 2.89Å; K252-L256 PolarHBondContact O-N 3.41Å |
| 253 | R | 73.2 | Confident | 75.1 | Confident | 109 Ų | 109 | 98.1 Ų | 98.1 | 41% | 0.411 | 46% | 0.458 | S | S | . | . | H | α-helix | trans | -65.5 | -39.1 | 179.5 | -160.7 | 165.2 | 171 | -178.6 | -7.2 | 111 | D183 E249 L256 I257 | D183-R253 IonicContact OD2-CZ 3.79Å; D183-R253 IonicContact OD2-NH1 2.71Å; D183-R253 IonicContact OD2-NH2 3.61Å; D183-R253 PolarHBondContact OD2-NH2 3.31Å; E249-R253 WeakPolarHBondContact O-CB 3.49Å; E249-R253 PolarHBondContact O-N 3.43Å; R253-L256 PolarHBondContact O-N 3.17Å; R253-I257 HydrophobicContact CG-CD1 4.46Å; R253-I257 VanDerWaalsContact O-CG1 3.29Å; R253-I257 WeakPolarHBondContact O-CG1 3.5Å; R253-I257 PolarHBondContact O-N 3.48Å |
| 254 | R | 77.4 | Confident | 75.5 | Confident | 154 Ų | 154 | 92.7 Ų | 92.7 | 58% | 0.581 | 45% | 0.445 | S | S | * | . | H | α-helix | trans | -61.4 | -48.7 | 169.4 | -177.6 | 179.5 | -68.8 | -168.9 | -2.8 | 111.9 | L250 L256 I257 E258 | L250-R254 WeakPolarHBondContact O-CB 3.22Å; L250-R254 PolarHBondContact O-N 3.24Å; R254-L256 PolarHBondContact O-N 3.46Å; R254-I257 PolarHBondContact O-N 3.01Å; R254-E258 VanDerWaalsContact O-CB 3.23Å; R254-E258 WeakPolarHBondContact O-CB 3.43Å; R254-E258 PolarHBondContact O-N 2.97Å |
| 255 | K | 78 | Confident | 75.8 | Confident | 129 Ų | 129 | 92.8 Ų | 92.8 | 56% | 0.561 | 44% | 0.435 | S | S | * | . | H | α-helix | trans | -62.3 | -28.6 | 175.3 | -76.7 | 176.9 | 177.6 | -175.5 | 0 | 113.1 | N251 K252 R259 | N251-K255 WeakPolarHBondContact O-CB 3.48Å; N251-K255 VanDerWaalsContact O-CG 3.29Å; N251-K255 WeakPolarHBondContact O-CG 3.4Å; N251-K255 PolarHBondContact O-N 3.21Å; K252-K255 PolarHBondContact O-N 2.89Å; K255-R259 WeakPolarHBondContact O-CB 3.36Å; K255-R259 WeakPolarHBondContact O-CG 3.26Å; K255-R259 PolarHBondContact O-N 2.89Å; K255-R259 VanDerWaalsContact O-N 3.11Å; K255-R259 PolarHBondContact O-NE 3.04Å; K255-R259 VanDerWaalsContact O-NE 3.16Å |
| 256 | L | 77.2 | Confident | 76.1 | Confident | 60 Ų | 60 | 90.7 Ų | 90.7 | 31% | 0.314 | 43% | 0.434 | S | S | . | . | H | α-helix | trans | -72.5 | -49.1 | 172.2 | -178.8 | 61 | 0 | 0 | 0 | 110.9 | K252 R253 R254 E258 R259 L260 | K252-L256 PolarHBondContact O-N 3.41Å; R253-L256 PolarHBondContact O-N 3.17Å; R254-L256 PolarHBondContact O-N 3.46Å; L256-E258 VanDerWaalsContact C-N 3.3Å; L256-E258 PolarHBondContact O-N 2.78Å; L256-R259 PolarHBondContact O-N 2.99Å; L256-L260 HydrophobicContact CD1-CD1 4.36Å; L256-L260 HydrophobicContact CD1-CG 4.37Å; L256-L260 HydrophobicContact CG-CD1 4.13Å; L256-L260 WeakPolarHBondContact O-CB 3.39Å; L256-L260 WeakPolarHBondContact O-CG 3.48Å; L256-L260 PolarHBondContact O-N 3.48Å |
| 257 | I | 79.9 | Confident | 76.5 | Confident | 107 Ų | 107 | 95 Ų | 95 | 55% | 0.549 | 45% | 0.452 | S | S | . | . | H | α-helix | trans | -60.1 | -40.1 | 176.4 | -67.8 | 162.7 | 0 | 0 | 0 | 111.3 | R253 R254 L260 K261 | R253-I257 HydrophobicContact CG-CD1 4.46Å; R253-I257 VanDerWaalsContact O-CG1 3.29Å; R253-I257 WeakPolarHBondContact O-CG1 3.5Å; R253-I257 PolarHBondContact O-N 3.48Å; R254-I257 PolarHBondContact O-N 3.01Å; I257-L260 PolarHBondContact O-N 3.06Å; I257-K261 VanDerWaalsContact O-CB 3.28Å; I257-K261 WeakPolarHBondContact O-CB 3.44Å; I257-K261 PolarHBondContact O-N 2.82Å |
| 258 | E | 79.1 | Confident | 76.8 | Confident | 110 Ų | 110 | 96 Ų | 96 | 51% | 0.514 | 45% | 0.451 | S | S | . | . | H | α-helix | trans | -66.2 | -42.4 | 176.4 | -175.3 | 171.2 | -150.9 | 0 | 0 | 111.7 | R254 L256 K261 I262 | R254-E258 VanDerWaalsContact O-CB 3.23Å; R254-E258 WeakPolarHBondContact O-CB 3.43Å; R254-E258 PolarHBondContact O-N 2.97Å; L256-E258 VanDerWaalsContact C-N 3.3Å; L256-E258 PolarHBondContact O-N 2.78Å; E258-K261 PolarHBondContact O-N 3.47Å; E258-I262 HydrophobicContact CG-CD1 4.05Å; E258-I262 WeakPolarHBondContact O-CB 3.28Å; E258-I262 WeakPolarHBondContact O-CD1 3.33Å; E258-I262 WeakPolarHBondContact O-CG1 3.46Å; E258-I262 PolarHBondContact O-N 3.43Å |
| 259 | R | 75.8 | Confident | 76.8 | Confident | 77 Ų | 77 | 98.6 Ų | 98.6 | 29% | 0.291 | 46% | 0.455 | S | S | . | . | H | α-helix | trans | -63.1 | -44.9 | 171.9 | -79.9 | -175.8 | -77.2 | -175.7 | -7.3 | 112.8 | K255 L256 K261 I262 R263 E860 | K255-R259 WeakPolarHBondContact O-CB 3.36Å; K255-R259 WeakPolarHBondContact O-CG 3.26Å; K255-R259 PolarHBondContact O-N 2.89Å; K255-R259 VanDerWaalsContact O-N 3.11Å; K255-R259 PolarHBondContact O-NE 3.04Å; K255-R259 VanDerWaalsContact O-NE 3.16Å; L256-R259 PolarHBondContact O-N 2.99Å; R259-K261 VanDerWaalsContact C-N 3.34Å; R259-I262 PolarHBondContact O-N 3.44Å; R259-R263 PolarHBondContact O-N 3.26Å; R259-E860 IonicContact CZ-OE2 3.31Å; R259-E860 VanDerWaalsContact CZ-OE2 3.25Å; R259-E860 IonicContact NH1-OE2 2.81Å; R259-E860 PolarHBondContact NH1-OE2 3.12Å; R259-E860 IonicContact NH2-OE1 3.87Å; R259-E860 IonicContact NH2-OE2 3.78Å; R259-E860 PolarHBondContact NH2-OE2 3.35Å |
| 260 | L | 77.5 | Confident | 76.7 | Confident | 58 Ų | 58 | 99.4 Ų | 99.4 | 30% | 0.304 | 46% | 0.461 | S | S | . | . | H | α-helix | trans | -62 | -42.4 | 175.7 | -71.9 | 172.1 | 0 | 0 | 0 | 110.8 | L256 I257 R263 D264 | L256-L260 HydrophobicContact CD1-CD1 4.36Å; L256-L260 HydrophobicContact CD1-CG 4.37Å; L256-L260 HydrophobicContact CG-CD1 4.13Å; L256-L260 WeakPolarHBondContact O-CB 3.39Å; L256-L260 WeakPolarHBondContact O-CG 3.48Å; L256-L260 PolarHBondContact O-N 3.48Å; I257-L260 PolarHBondContact O-N 3.06Å; L260-R263 CarbonylContact O-C 3.54Å; L260-R263 PolarHBondContact O-N 2.93Å; L260-D264 WeakPolarHBondContact O-CB 3.2Å; L260-D264 PolarHBondContact O-N 3.25Å |
| 261 | K | 81.3 | Confident | 76.6 | Confident | 133 Ų | 133 | 102.3 Ų | 102.3 | 58% | 0.578 | 47% | 0.471 | S | S | * | . | H | α-helix | trans | -65.3 | -43.2 | 175.1 | -174.1 | 179.9 | 176.7 | -173.3 | 0 | 112.3 | I257 E258 R259 R263 D264 D265 | I257-K261 VanDerWaalsContact O-CB 3.28Å; I257-K261 WeakPolarHBondContact O-CB 3.44Å; I257-K261 PolarHBondContact O-N 2.82Å; E258-K261 PolarHBondContact O-N 3.47Å; R259-K261 VanDerWaalsContact C-N 3.34Å; K261-R263 VanDerWaalsContact C-N 3.26Å; K261-R263 PolarHBondContact O-N 3.18Å; K261-D264 PolarHBondContact O-N 2.88Å; K261-D265 WeakPolarHBondContact CE-OD2 3.49Å; K261-D265 VanDerWaalsContact O-CB 3.31Å; K261-D265 WeakPolarHBondContact O-CB 3.4Å; K261-D265 PolarHBondContact O-N 3.4Å |
| 262 | I | 79.8 | Confident | 76.3 | Confident | 107 Ų | 107 | 104.2 Ų | 104.2 | 55% | 0.549 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -60.5 | -38.2 | 174.6 | -72.7 | 164.3 | 0 | 0 | 0 | 110.4 | E258 R259 A266 | E258-I262 HydrophobicContact CG-CD1 4.05Å; E258-I262 WeakPolarHBondContact O-CB 3.28Å; E258-I262 WeakPolarHBondContact O-CD1 3.33Å; E258-I262 WeakPolarHBondContact O-CG1 3.46Å; E258-I262 PolarHBondContact O-N 3.43Å; R259-I262 PolarHBondContact O-N 3.44Å; I262-A266 WeakPolarHBondContact O-CB 3.37Å; I262-A266 PolarHBondContact O-N 3.07Å |
| 263 | R | 74.3 | Confident | 75.7 | Confident | 46 Ų | 46 | 103.8 Ų | 103.8 | 17% | 0.174 | 48% | 0.476 | C | S | . | . | H | α-helix | trans | -69.2 | -48.8 | 172.8 | -175 | 177.5 | -70.1 | 166.5 | 2.8 | 112.2 | R259 L260 K261 D265 A266 E267 D810 D852 | R259-R263 PolarHBondContact O-N 3.26Å; L260-R263 CarbonylContact O-C 3.54Å; L260-R263 PolarHBondContact O-N 2.93Å; K261-R263 VanDerWaalsContact C-N 3.26Å; K261-R263 PolarHBondContact O-N 3.18Å; R263-D265 VanDerWaalsContact C-N 3.28Å; R263-D265 PolarHBondContact O-N 3.33Å; R263-A266 CarbonylContact O-C 3.59Å; R263-A266 PolarHBondContact O-N 3.05Å; R263-E267 WeakPolarHBondContact CD-OE1 3.26Å; R263-E267 HydrophobicContact CG-CG 4.06Å; R263-E267 WeakPolarHBondContact CG-OE1 3.46Å; R263-E267 WeakPolarHBondContact O-CB 3.41Å; R263-E267 PolarHBondContact O-N 3.47Å; R263-D810 IonicContact CZ-OD2 2.86Å; R263-D810 VanDerWaalsContact NH1-CG 3.29Å; R263-D810 IonicContact NH1-OD1 2.67Å; R263-D810 IonicContact NH1-OD2 3.12Å; R263-D810 PolarHBondContact NH1-OD2 3.09Å; R263-D810 IonicContact NH2-OD2 2.85Å; R263-D852 IonicContact CZ-OD2 2.78Å; R263-D852 IonicContact NE-OD2 3.67Å; R263-D852 IonicContact NH2-OD2 2.72Å; R263-D852 PolarHBondContact NH2-OD2 3.42Å |
| 264 | D | 79.3 | Confident | 75.1 | Confident | 106 Ų | 106 | 101.2 Ų | 101.2 | 57% | 0.567 | 48% | 0.478 | S | S | * | . | H | α-helix | trans | -57.2 | -43 | 177.7 | -87.1 | 10.3 | 0 | 0 | 0 | 111.1 | L260 K261 R268 | L260-D264 WeakPolarHBondContact O-CB 3.2Å; L260-D264 PolarHBondContact O-N 3.25Å; K261-D264 PolarHBondContact O-N 2.88Å; D264-R268 WeakPolarHBondContact O-CB 3.42Å; D264-R268 PolarHBondContact O-N 2.95Å |
| 265 | D | 79.7 | Confident | 74.3 | Confident | 74 Ų | 74 | 96.6 Ų | 96.6 | 40% | 0.396 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -69.5 | -34.8 | 175.8 | -76.2 | -33 | 0 | 0 | 0 | 111.7 | K261 R263 K269 | K261-D265 WeakPolarHBondContact CE-OD2 3.49Å; K261-D265 VanDerWaalsContact O-CB 3.31Å; K261-D265 WeakPolarHBondContact O-CB 3.4Å; K261-D265 PolarHBondContact O-N 3.4Å; R263-D265 VanDerWaalsContact C-N 3.28Å; R263-D265 PolarHBondContact O-N 3.33Å; D265-K269 WeakPolarHBondContact O-CB 3.47Å; D265-K269 PolarHBondContact O-N 2.79Å |
| 266 | A | 77.3 | Confident | 73.3 | Confident | 45 Ų | 45 | 93.3 Ų | 93.3 | 37% | 0.372 | 46% | 0.458 | S | S | . | . | H | α-helix | trans | -71.1 | -43.3 | 173.7 | 0 | 0 | 0 | 0 | 0 | 112.9 | I262 R263 K269 N270 | I262-A266 WeakPolarHBondContact O-CB 3.37Å; I262-A266 PolarHBondContact O-N 3.07Å; R263-A266 CarbonylContact O-C 3.59Å; R263-A266 PolarHBondContact O-N 3.05Å; A266-K269 PolarHBondContact O-N 3.15Å; A266-N270 VanDerWaalsContact O-CB 3.31Å; A266-N270 WeakPolarHBondContact O-CB 3.41Å; A266-N270 PolarHBondContact O-N 3.24Å; A266-N270 PolarHBondContact O-ND2 3.45Å |
| 267 | E | 75.2 | Confident | 72.6 | Confident | 119 Ų | 119 | 99.1 Ų | 99.1 | 56% | 0.556 | 49% | 0.488 | S | S | * | . | H | α-helix | trans | -63.7 | -41.3 | 173 | -75.8 | -170.7 | -156.4 | 0 | 0 | 110.6 | R263 N270 F271 | R263-E267 WeakPolarHBondContact CD-OE1 3.26Å; R263-E267 HydrophobicContact CG-CG 4.06Å; R263-E267 WeakPolarHBondContact CG-OE1 3.46Å; R263-E267 WeakPolarHBondContact O-CB 3.41Å; R263-E267 PolarHBondContact O-N 3.47Å; E267-N270 PolarHBondContact O-N 2.98Å; E267-F271 WeakPolarHBondContact O-CB 3.17Å; E267-F271 PolarHBondContact O-N 2.8Å |
| 268 | R | 77.6 | Confident | 71.7 | Confident | 166 Ų | 166 | 101.2 Ų | 101.2 | 63% | 0.626 | 49% | 0.489 | S | S | * | . | H | α-helix | trans | -66.3 | -36.6 | 174 | -174.2 | 176.7 | -171.7 | 170.6 | -0.3 | 112.3 | D264 L272 | D264-R268 WeakPolarHBondContact O-CB 3.42Å; D264-R268 PolarHBondContact O-N 2.95Å; R268-L272 HydrophobicContact CG-CD1 4.4Å; R268-L272 WeakPolarHBondContact O-CB 3.36Å; R268-L272 WeakPolarHBondContact O-CG 3.46Å; R268-L272 PolarHBondContact O-N 3.26Å |
| 269 | K | 74.4 | Confident | 71.3 | Confident | 119 Ų | 119 | 103 Ų | 103 | 52% | 0.517 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -71.9 | -41.5 | 175.5 | -166.7 | 177.6 | -173.1 | -179.1 | 0 | 111.6 | D265 A266 F271 L272 Y273 | D265-K269 WeakPolarHBondContact O-CB 3.47Å; D265-K269 PolarHBondContact O-N 2.79Å; A266-K269 PolarHBondContact O-N 3.15Å; K269-F271 VanDerWaalsContact C-N 3.34Å; K269-L272 PolarHBondContact O-N 3.03Å; K269-Y273 HydrophobicContact CD-CE2 4.13Å; K269-Y273 WeakPolarHBondContact CE-OH 3.34Å; K269-Y273 HydrophobicContact CG-CD2 4.05Å; K269-Y273 HydrophobicContact CG-CE2 3.65Å; K269-Y273 WeakPolarHBondContact O-CD2 3.44Å; K269-Y273 PolarHBondContact O-N 3.45Å |
| 270 | N | 68.3 | Low | 70.8 | Confident | 89 Ų | 89 | 104.4 Ų | 104.4 | 48% | 0.476 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -63 | -40.4 | 171.2 | -70.8 | -11.8 | 0 | 0 | 0 | 111.4 | A266 E267 Y273 A274 | A266-N270 VanDerWaalsContact O-CB 3.31Å; A266-N270 WeakPolarHBondContact O-CB 3.41Å; A266-N270 PolarHBondContact O-N 3.24Å; A266-N270 PolarHBondContact O-ND2 3.45Å; E267-N270 PolarHBondContact O-N 2.98Å; N270-Y273 PolarHBondContact O-N 3.4Å; N270-A274 VanDerWaalsContact O-CB 3.24Å; N270-A274 WeakPolarHBondContact O-CB 3.4Å; N270-A274 PolarHBondContact O-N 3.35Å |
| 271 | F | 71.8 | Confident | 70.3 | Confident | 136 Ų | 136 | 112.4 Ų | 112.4 | 60% | 0.596 | 55% | 0.552 | S | S | * | * | H | α-helix | trans | -63.7 | -39.7 | 172.9 | 176.7 | -93.9 | 0 | 0 | 0 | 111.8 | E267 K269 A274 C275 | E267-F271 WeakPolarHBondContact O-CB 3.17Å; E267-F271 PolarHBondContact O-N 2.8Å; K269-F271 VanDerWaalsContact C-N 3.34Å; F271-A274 CarbonylContact O-C 3.53Å; F271-A274 PolarHBondContact O-N 3.01Å; F271-C275 VanDerWaalsContact CE1-SG 3.54Å; F271-C275 WeakPolarHBondContact O-CB 3.12Å; F271-C275 PolarHBondContact O-N 2.96Å; F271-C275 PolarHBondContact O-SG 2.92Å |
| 272 | L | 69.8 | Low | 69.8 | Low | 111 Ų | 111 | 111.1 Ų | 111.1 | 58% | 0.581 | 55% | 0.546 | S | S | * | . | H | α-helix | trans | -68.9 | -34.8 | 174.6 | -76.3 | 166.6 | 0 | 0 | 0 | 112.8 | R268 K269 | R268-L272 HydrophobicContact CG-CD1 4.4Å; R268-L272 WeakPolarHBondContact O-CB 3.36Å; R268-L272 WeakPolarHBondContact O-CG 3.46Å; R268-L272 PolarHBondContact O-N 3.26Å; K269-L272 PolarHBondContact O-N 3.03Å |
| 273 | Y | 63.2 | Low | 68.9 | Low | 125 Ų | 125 | 108.4 Ų | 108.4 | 49% | 0.49 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -74.2 | -32.4 | 172.7 | -72.1 | -53.9 | 0 | 0 | 0 | 112.9 | K269 N270 H307 | K269-Y273 HydrophobicContact CD-CE2 4.13Å; K269-Y273 WeakPolarHBondContact CE-OH 3.34Å; K269-Y273 HydrophobicContact CG-CD2 4.05Å; K269-Y273 HydrophobicContact CG-CE2 3.65Å; K269-Y273 WeakPolarHBondContact O-CD2 3.44Å; K269-Y273 PolarHBondContact O-N 3.45Å; N270-Y273 PolarHBondContact O-N 3.4Å; Y273-H307 WeakPolarHBondContact CB-NE2 3.43Å; Y273-H307 PolarHBondContact O-CD2 3.15Å |
| 274 | A | 60.7 | Low | 68.9 | Low | 55 Ų | 55 | 107 Ų | 107 | 46% | 0.455 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -78.3 | -17.6 | 172.7 | 0 | 0 | 0 | 0 | 0 | 113.2 | N270 F271 N276 | N270-A274 VanDerWaalsContact O-CB 3.24Å; N270-A274 WeakPolarHBondContact O-CB 3.4Å; N270-A274 PolarHBondContact O-N 3.35Å; F271-A274 CarbonylContact O-C 3.53Å; F271-A274 PolarHBondContact O-N 3.01Å; A274-N276 PolarHBondContact O-N 2.92Å |
| 275 | C | 59.4 | Low | 69 | Low | 57 Ų | 57 | 105.1 Ų | 105.1 | 39% | 0.385 | 54% | 0.543 | S | S | . | . | S | Bend | trans | -74 | 102.7 | 165.7 | -76.2 | 0 | 0 | 0 | 0 | 109 | F271 L277 | F271-C275 VanDerWaalsContact CE1-SG 3.54Å; F271-C275 WeakPolarHBondContact O-CB 3.12Å; F271-C275 PolarHBondContact O-N 2.96Å; F271-C275 PolarHBondContact O-SG 2.92Å; C275-L277 PolarHBondContact O-N 3.42Å |
| 276 | N | 57.7 | Low | 69.1 | Low | 60 Ų | 60 | 104.4 Ų | 104.4 | 32% | 0.321 | 54% | 0.537 | S | S | . | . | trans | -39.5 | 132.9 | -178.1 | -87.8 | 26.3 | 0 | 0 | 0 | 114.9 | A274 R278 D304 | A274-N276 PolarHBondContact O-N 2.92Å; N276-R278 VanDerWaalsContact CB-O 3.31Å; N276-R278 WeakPolarHBondContact CB-O 3.49Å; N276-R278 PolarHBondContact O-N 3.21Å; N276-D304 PolarHBondContact ND2-OD2 2.96Å; N276-D304 WeakPolarHBondContact OD1-CB 3.45Å | ||
| 277 | L | 62 | Low | 69.5 | Low | 181 Ų | 181 | 108.9 Ų | 108.9 | 95% | 0.948 | 55% | 0.55 | S | S | * | * | S | Bend | trans | -64.3 | 12.4 | 164.8 | -71.2 | 160.6 | 0 | 0 | 0 | 113.8 | C275 | C275-L277 PolarHBondContact O-N 3.42Š|
| 278 | R | 61.3 | Low | 69.8 | Low | 152 Ų | 152 | 104.7 Ų | 104.7 | 57% | 0.574 | 53% | 0.531 | S | S | * | . | S | Bend | trans | -142.9 | 153.3 | -176.9 | -60.2 | -175.2 | -176.4 | -156.3 | 0.3 | 108.5 | N276 F282 | N276-R278 VanDerWaalsContact CB-O 3.31Å; N276-R278 WeakPolarHBondContact CB-O 3.49Å; N276-R278 PolarHBondContact O-N 3.21Å; R278-F282 HydrophobicContact CB-CB 4.1Å; R278-F282 HydrophobicContact CB-CG 4.24Å; R278-F282 VanDerWaalsContact NH1-CE1 3.32Å |
| 279 | Q | 70.7 | Confident | 69.8 | Low | 146 Ų | 146 | 102.1 Ų | 102.1 | 68% | 0.682 | 53% | 0.534 | S | S | * | . | trans | -55.5 | 148.1 | -179.2 | 66.9 | 167.9 | -4.2 | 0 | 0 | 112.6 | R281 F282 | Q279-R281 HydrophobicContact CG-CB 4.45Å; Q279-R281 PolarHBondContact O-N 3.43Å; Q279-F282 WeakPolarHBondContact O-CB 3.44Å; Q279-F282 PolarHBondContact O-N 2.93Å | ||
| 280 | A | 65.6 | Low | 69.9 | Low | 108 Ų | 108 | 104 Ų | 104 | 89% | 0.893 | 55% | 0.55 | S | S | * | . | G | 310 helix | trans | -58.1 | -18 | -176.6 | 0 | 0 | 0 | 0 | 0 | 114.9 | F282 | A280-F282 VanDerWaalsContact C-N 3.35Š|
| 281 | R | 66 | Low | 70.5 | Confident | 225 Ų | 225 | 102 Ų | 102 | 85% | 0.849 | 54% | 0.541 | S | S | * | . | G | 310 helix | trans | -81.9 | -1.7 | 173.3 | -69.9 | -171.1 | 175.9 | -155.9 | 0.4 | 114.7 | Q279 G283 | Q279-R281 HydrophobicContact CG-CB 4.45Å; Q279-R281 PolarHBondContact O-N 3.43Å; R281-G283 VanDerWaalsContact C-N 3.26Å; R281-G283 PolarHBondContact O-N 3.18Å |
| 282 | F | 70.7 | Confident | 70.9 | Confident | 107 Ų | 107 | 99.9 Ų | 99.9 | 47% | 0.469 | 54% | 0.541 | S | S | . | . | G | 310 helix | trans | -67.7 | -26.3 | -178.4 | -170.6 | -103 | 0 | 0 | 0 | 113 | R278 Q279 A280 G284 | R278-F282 HydrophobicContact CB-CB 4.1Å; R278-F282 HydrophobicContact CB-CG 4.24Å; R278-F282 VanDerWaalsContact NH1-CE1 3.32Å; Q279-F282 WeakPolarHBondContact O-CB 3.44Å; Q279-F282 PolarHBondContact O-N 2.93Å; A280-F282 VanDerWaalsContact C-N 3.35Å; F282-G284 PolarHBondContact O-N 3.43Å; F282-G284 VanDerWaalsContact O-N 3.08Å |
| 283 | G | 62 | Low | 71.5 | Confident | 50 Ų | 50 | 96.1 Ų | 96.1 | 52% | 0.515 | 52% | 0.524 | S | S | . | . | trans | 50.3 | 43.9 | 152.8 | 0 | 0 | 0 | 0 | 0 | 116.9 | R281 A285 | R281-G283 VanDerWaalsContact C-N 3.26Å; R281-G283 PolarHBondContact O-N 3.18Å; G283-A285 PolarHBondContact O-N 3.02Å | ||
| 284 | G | 74 | Confident | 72.4 | Confident | 15 Ų | 15 | 99.5 Ų | 99.5 | 16% | 0.155 | 55% | 0.549 | C | S | . | . | trans | -55.3 | 127.4 | 179.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | F282 F286 H302 | F282-G284 PolarHBondContact O-N 3.43Å; F282-G284 VanDerWaalsContact O-N 3.08Å; G284-F286 WeakPolarHBondContact O-CD2 3.44Å; G284-F286 WeakPolarHBondContact O-CE2 3.35Å; G284-H302 CarbonylContact O-C 3.46Å; G284-H302 WeakPolarHBondContact O-CA 3.44Å | ||
| 285 | A | 82.1 | Confident | 73.5 | Confident | 67 Ų | 67 | 100.5 Ų | 100.5 | 55% | 0.554 | 55% | 0.553 | S | S | * | * | trans | -101.2 | 128.3 | 172.6 | 0 | 0 | 0 | 0 | 0 | 109 | G283 I300 Y301 | G283-A285 PolarHBondContact O-N 3.02Å; A285-I300 HydrophobicContact CB-CG2 4.29Å; A285-Y301 WeakPolarHBondContact CA-O 3.36Å | ||
| 286 | F | 81.8 | Confident | 74.6 | Confident | 60 Ų | 60 | 106.2 Ų | 106.2 | 26% | 0.263 | 57% | 0.574 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -128.2 | 143 | -176.6 | -54.1 | -86.8 | 0 | 0 | 0 | 109.4 | G284 I300 Y301 H303 I305 | G284-F286 WeakPolarHBondContact O-CD2 3.44Å; G284-F286 WeakPolarHBondContact O-CE2 3.35Å; F286-I300 WeakPolarHBondContact O-CA 3.49Å; F286-Y301 PolarHBondContact N-O 3.28Å; F286-Y301 PolarHBondContact O-N 2.92Å; F286-H303 WeakPolarHBondContact CD2-O 3.36Å; F286-H303 WeakPolarHBondContact CE2-O 3.47Å; F286-I305 HydrophobicContact CB-CD1 4.14Å; F286-I305 HydrophobicContact CD1-CD1 3.59Å; F286-I305 HydrophobicContact CD1-CG1 3.82Å; F286-I305 HydrophobicContact CD2-CD1 4.31Å; F286-I305 HydrophobicContact CD2-CG1 4.04Å; F286-I305 HydrophobicContact CE1-CD1 4.01Å; F286-I305 HydrophobicContact CE1-CG1 3.77Å; F286-I305 HydrophobicContact CE2-CG1 3.99Å; F286-I305 HydrophobicContact CG-CD1 3.75Å; F286-I305 HydrophobicContact CG-CG1 3.96Å; F286-I305 HydrophobicContact CZ-CG1 3.85Å |
| 287 | E | 84.8 | Confident | 75.8 | Confident | 139 Ų | 139 | 112.3 Ų | 112.3 | 65% | 0.65 | 59% | 0.592 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -94.6 | 124 | 173.7 | -67.4 | -174.4 | 171.6 | 0 | 0 | 110.3 | V289 P298 | E287-V289 PolarHBondContact O-N 2.92Å; E287-P298 HydrophobicContact CB-CB 4.1Å |
| 288 | L | 80.8 | Confident | 76.8 | Confident | 30 Ų | 30 | 106.5 Ų | 106.5 | 16% | 0.157 | 57% | 0.565 | C | S | . | * | E | Extended strand (participates in β ladder) | trans | -81.1 | 94.4 | 172.9 | -79 | 161 | 0 | 0 | 0 | 109.8 | T291 L299 V332 L334 | L288-T291 PolarHBondContact O-N 3.46Å; L288-T291 VanDerWaalsContact O-N 3.16Å; L288-L299 HydrophobicContact CB-CB 4.29Å; L288-L299 WeakPolarHBondContact CB-O 3.25Å; L288-L299 HydrophobicContact CD1-CB 4.4Å; L288-L299 HydrophobicContact CD1-CD2 4.01Å; L288-L299 HydrophobicContact CD1-CG 4.32Å; L288-L299 PolarHBondContact N-O 3.38Å; L288-V332 HydrophobicContact CD1-CG1 4.42Å; L288-V332 HydrophobicContact CD2-CB 4.07Å; L288-V332 HydrophobicContact CD2-CG1 4.38Å; L288-V332 HydrophobicContact CD2-CG2 3.68Å; L288-L334 HydrophobicContact CD1-CD2 3.57Å |
| 289 | V | 78 | Confident | 77.9 | Confident | 112 Ų | 112 | 102.1 Ų | 102.1 | 68% | 0.679 | 55% | 0.553 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -51.9 | 143.3 | 169.4 | -174.4 | 0 | 0 | 0 | 0 | 109.8 | E287 T291 | E287-V289 PolarHBondContact O-N 2.92Å; V289-T291 PolarHBondContact O-N 2.78Å |
| 290 | N | 77 | Confident | 78.6 | Confident | 160 Ų | 160 | 99.6 Ų | 99.6 | 86% | 0.856 | 54% | 0.543 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | 59.6 | 7.6 | -176.2 | -56.4 | -20.6 | 0 | 0 | 0 | 116 | P292 | N290-P292 WeakPolarHBondContact O-CD 3.41Å |
| 291 | T | 80.8 | Confident | 79.3 | Confident | 46 Ų | 46 | 95.7 Ų | 95.7 | 28% | 0.282 | 51% | 0.506 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113 | 92.6 | 174.5 | -49.7 | 0 | 0 | 0 | 0 | 109.7 | L288 V289 L299 | L288-T291 PolarHBondContact O-N 3.46Å; L288-T291 VanDerWaalsContact O-N 3.16Å; V289-T291 PolarHBondContact O-N 2.78Å; T291-L299 HydrophobicContact CG2-CB 4Å; T291-L299 HydrophobicContact CG2-CD2 3.87Å; T291-L299 WeakPolarHBondContact O-CB 3.4Å; T291-L299 PolarHBondContact O-N 3.17Å |
| 292 | P | 80.7 | Confident | 79.9 | Confident | 92 Ų | 92 | 90.7 Ų | 90.7 | 60% | 0.597 | 49% | 0.491 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -69.6 | 140.3 | -178.9 | 27.7 | -34 | 0 | 0 | 0 | 112 | N290 | N290-P292 WeakPolarHBondContact O-CD 3.41Å |
| 293 | S | 82.8 | Confident | 80.2 | Confident | 32 Ų | 32 | 89.3 Ų | 89.3 | 22% | 0.224 | 49% | 0.486 | C | S | . | . | trans | -80 | 177.6 | 168.2 | 68 | 0 | 0 | 0 | 0 | 111.6 | S295 E296 R297 | S293-S295 PolarHBondContact O-N 3.04Å; S293-S295 PolarHBondContact OG-N 3.43Å; S293-S295 PolarHBondContact OG-OG 3.32Å; S293-E296 PolarHBondContact O-N 2.98Å; S293-R297 VanDerWaalsContact CB-O 3.23Å; S293-R297 WeakPolarHBondContact CB-O 3.4Å; S293-R297 PolarHBondContact N-O 2.91Å; S293-R297 PolarHBondContact OG-O 3.41Å | ||
| 294 | L | 81.7 | Confident | 80.6 | Confident | 195 Ų | 195 | 88.5 Ų | 88.5 | 100% | 1.021 | 47% | 0.47 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.3 | -7.1 | 168.2 | -68.7 | 166.5 | 0 | 0 | 0 | 114.5 | ||
| 295 | S | 84.3 | Confident | 80.5 | Confident | 76 Ų | 76 | 89.6 Ų | 89.6 | 53% | 0.531 | 47% | 0.472 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -115.7 | 16.6 | 177.2 | 68.2 | 0 | 0 | 0 | 0 | 113.2 | S293 R297 | S293-S295 PolarHBondContact O-N 3.04Å; S293-S295 PolarHBondContact OG-N 3.43Å; S293-S295 PolarHBondContact OG-OG 3.32Å; S295-R297 PolarHBondContact O-N 3.3Å |
| 296 | E | 81.4 | Confident | 79.7 | Confident | 178 Ų | 178 | 89.9 Ų | 89.9 | 83% | 0.832 | 47% | 0.467 | S | S | * | . | S | Bend | trans | 61.3 | -17.8 | -173.4 | -57.7 | -173.5 | 160.1 | 0 | 0 | 115.8 | S293 | S293-E296 PolarHBondContact O-N 2.98Š|
| 297 | R | 83.5 | Confident | 78.8 | Confident | 188 Ų | 188 | 88.9 Ų | 88.9 | 71% | 0.709 | 46% | 0.463 | S | S | * | . | S | Bend | trans | -61.8 | 153.6 | 170.2 | -62.5 | 177.8 | -177.9 | -173.2 | 0.1 | 111.9 | S293 S295 | S293-R297 VanDerWaalsContact CB-O 3.23Å; S293-R297 WeakPolarHBondContact CB-O 3.4Å; S293-R297 PolarHBondContact N-O 2.91Å; S293-R297 PolarHBondContact OG-O 3.41Å; S295-R297 PolarHBondContact O-N 3.3Å |
| 298 | P | 83.5 | Confident | 77.7 | Confident | 58 Ų | 58 | 84.9 Ų | 84.9 | 38% | 0.377 | 45% | 0.448 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -50.1 | 140.3 | 175.3 | -27.3 | 35.1 | 0 | 0 | 0 | 113.3 | E287 I300 | E287-P298 HydrophobicContact CB-CB 4.1Å; P298-I300 PolarHBondContact O-N 3.09Å |
| 299 | L | 83.8 | Confident | 76.8 | Confident | 61 Ų | 61 | 85.2 Ų | 85.2 | 32% | 0.319 | 46% | 0.455 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.4 | 123.8 | 178 | -178.2 | 67.5 | 0 | 0 | 0 | 110.3 | L288 T291 L334 | L288-L299 HydrophobicContact CB-CB 4.29Å; L288-L299 WeakPolarHBondContact CB-O 3.25Å; L288-L299 HydrophobicContact CD1-CB 4.4Å; L288-L299 HydrophobicContact CD1-CD2 4.01Å; L288-L299 HydrophobicContact CD1-CG 4.32Å; L288-L299 PolarHBondContact N-O 3.38Å; T291-L299 HydrophobicContact CG2-CB 4Å; T291-L299 HydrophobicContact CG2-CD2 3.87Å; T291-L299 WeakPolarHBondContact O-CB 3.4Å; T291-L299 PolarHBondContact O-N 3.17Å; L299-L334 HydrophobicContact CD2-CD2 4.49Å |
| 300 | I | 84.8 | Confident | 76 | Confident | 92 Ų | 92 | 85.7 Ų | 85.7 | 47% | 0.472 | 45% | 0.45 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.9 | 127.6 | 177 | -52.8 | 176.6 | 0 | 0 | 0 | 109.7 | A285 F286 P298 H302 | A285-I300 HydrophobicContact CB-CG2 4.29Å; F286-I300 WeakPolarHBondContact O-CA 3.49Å; P298-I300 PolarHBondContact O-N 3.09Å; I300-H302 VanDerWaalsContact CG2-CE1 3.47Å; I300-H302 WeakPolarHBondContact CG2-CE1 3.41Å |
| 301 | Y | 81.5 | Confident | 75.1 | Confident | 27 Ų | 27 | 81 Ų | 81 | 11% | 0.106 | 42% | 0.424 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.4 | 126.9 | 176.6 | -171.5 | -104.3 | 0 | 0 | 0 | 110.3 | A285 F286 H303 I305 V332 E333 L334 | A285-Y301 WeakPolarHBondContact CA-O 3.36Å; F286-Y301 PolarHBondContact N-O 3.28Å; F286-Y301 PolarHBondContact O-N 2.92Å; Y301-H303 HydrophobicContact CD1-CB 4.35Å; Y301-H303 VanDerWaalsContact CD1-O 3.28Å; Y301-H303 WeakPolarHBondContact CD1-O 3.46Å; Y301-H303 HydrophobicContact CE1-CB 3.56Å; Y301-H303 VanDerWaalsContact CE1-O 3.23Å; Y301-H303 WeakPolarHBondContact CE1-O 3.41Å; Y301-H303 AromaticContact CZ-CD2 3.9Å; Y301-I305 HydrophobicContact CD1-CG2 3.68Å; Y301-I305 HydrophobicContact CE1-CG2 3.57Å; Y301-V332 HydrophobicContact CD1-CG1 3.67Å; Y301-V332 HydrophobicContact CD2-CG1 3.58Å; Y301-V332 HydrophobicContact CE1-CG1 3.46Å; Y301-V332 VanDerWaalsContact CE1-CG1 3.46Å; Y301-V332 HydrophobicContact CE2-CG1 3.38Å; Y301-V332 HydrophobicContact CG-CG1 3.71Å; Y301-E333 PolarHBondContact OH-O 2.86Å; Y301-L334 HydrophobicContact CD2-CD2 4.19Å; Y301-L334 HydrophobicContact CE2-CD2 4.35Å |
| 302 | H | 79 | Confident | 73.9 | Confident | 119 Ų | 119 | 80.1 Ų | 80.1 | 55% | 0.551 | 42% | 0.421 | S | S | * | . | trans | -109.3 | 17.3 | -171.6 | -67.3 | -68.4 | 0 | 0 | 0 | 114.3 | G284 I300 | G284-H302 CarbonylContact O-C 3.46Å; G284-H302 WeakPolarHBondContact O-CA 3.44Å; I300-H302 VanDerWaalsContact CG2-CE1 3.47Å; I300-H302 WeakPolarHBondContact CG2-CE1 3.41Å | ||
| 303 | H | 75.2 | Confident | 72.6 | Confident | 79 Ų | 79 | 78.6 Ų | 78.6 | 37% | 0.366 | 41% | 0.41 | S | S | . | . | S | Bend | trans | -112.5 | 155.8 | 172.4 | -53.5 | -45.6 | 0 | 0 | 0 | 110.5 | F286 Y301 I305 V336 | F286-H303 WeakPolarHBondContact CD2-O 3.36Å; F286-H303 WeakPolarHBondContact CE2-O 3.47Å; Y301-H303 HydrophobicContact CD1-CB 4.35Å; Y301-H303 VanDerWaalsContact CD1-O 3.28Å; Y301-H303 WeakPolarHBondContact CD1-O 3.46Å; Y301-H303 HydrophobicContact CE1-CB 3.56Å; Y301-H303 VanDerWaalsContact CE1-O 3.23Å; Y301-H303 WeakPolarHBondContact CE1-O 3.41Å; Y301-H303 AromaticContact CZ-CD2 3.9Å; H303-I305 PolarHBondContact O-N 2.83Å; H303-V336 VanDerWaalsContact CD2-CG1 3.44Å; H303-V336 WeakPolarHBondContact CD2-CG1 3.44Å |
| 304 | D | 71.6 | Confident | 71.4 | Confident | 33 Ų | 33 | 80.3 Ų | 80.3 | 18% | 0.176 | 42% | 0.419 | C | S | . | . | trans | -73.8 | 115.6 | -173 | -155.4 | -42.1 | 0 | 0 | 0 | 111.6 | N276 T306 | N276-D304 PolarHBondContact ND2-OD2 2.96Å; N276-D304 WeakPolarHBondContact OD1-CB 3.45Å; D304-T306 VanDerWaalsContact OD1-CB 3.25Å; D304-T306 WeakPolarHBondContact OD1-CB 3.31Å; D304-T306 VanDerWaalsContact OD1-CG2 3.28Å; D304-T306 WeakPolarHBondContact OD1-CG2 3.22Å; D304-T306 PolarHBondContact OD1-N 2.63Å; D304-T306 PolarHBondContact OD1-OG1 2.9Å | ||
| 305 | I | 70.6 | Confident | 69.9 | Low | 37 Ų | 37 | 75.8 Ų | 75.8 | 19% | 0.19 | 40% | 0.395 | C | S | . | . | trans | -90.4 | -4.6 | 177.3 | 60.5 | 172.2 | 0 | 0 | 0 | 113.1 | F286 Y301 H303 H307 T308 A309 I331 V332 | F286-I305 HydrophobicContact CB-CD1 4.14Å; F286-I305 HydrophobicContact CD1-CD1 3.59Å; F286-I305 HydrophobicContact CD1-CG1 3.82Å; F286-I305 HydrophobicContact CD2-CD1 4.31Å; F286-I305 HydrophobicContact CD2-CG1 4.04Å; F286-I305 HydrophobicContact CE1-CD1 4.01Å; F286-I305 HydrophobicContact CE1-CG1 3.77Å; F286-I305 HydrophobicContact CE2-CG1 3.99Å; F286-I305 HydrophobicContact CG-CD1 3.75Å; F286-I305 HydrophobicContact CG-CG1 3.96Å; F286-I305 HydrophobicContact CZ-CG1 3.85Å; Y301-I305 HydrophobicContact CD1-CG2 3.68Å; Y301-I305 HydrophobicContact CE1-CG2 3.57Å; H303-I305 PolarHBondContact O-N 2.83Å; I305-H307 VanDerWaalsContact C-N 3.29Å; I305-H307 PolarHBondContact O-N 3.21Å; I305-T308 PolarHBondContact O-N 3.36Å; I305-A309 WeakPolarHBondContact O-CB 3.47Å; I305-A309 PolarHBondContact O-N 2.82Å; I305-I331 HydrophobicContact CB-CG2 4.49Å; I305-V332 HydrophobicContact CG2-CG1 4.37Å; I305-V332 HydrophobicContact CG2-CG2 3.87Å | ||
| 306 | T | 67.1 | Low | 68.3 | Low | 73 Ų | 73 | 74.8 Ų | 74.8 | 45% | 0.448 | 39% | 0.388 | S | S | . | . | H | α-helix | trans | -63.7 | -35.5 | -175 | 60.1 | 0 | 0 | 0 | 0 | 112.4 | D304 Q310 | D304-T306 VanDerWaalsContact OD1-CB 3.25Å; D304-T306 WeakPolarHBondContact OD1-CB 3.31Å; D304-T306 VanDerWaalsContact OD1-CG2 3.28Å; D304-T306 WeakPolarHBondContact OD1-CG2 3.22Å; D304-T306 PolarHBondContact OD1-N 2.63Å; D304-T306 PolarHBondContact OD1-OG1 2.9Å; T306-Q310 WeakPolarHBondContact O-CB 3.3Å; T306-Q310 VanDerWaalsContact O-CG 3.28Å; T306-Q310 WeakPolarHBondContact O-CG 3.5Å; T306-Q310 PolarHBondContact O-N 2.91Å |
| 307 | H | 62 | Low | 66.8 | Low | 40 Ų | 40 | 74.3 Ų | 74.3 | 19% | 0.185 | 38% | 0.383 | C | S | . | . | H | α-helix | trans | -63.7 | -51.1 | 173.1 | 173.3 | -105.8 | 0 | 0 | 0 | 112.1 | Y273 I305 A309 Q310 M311 | Y273-H307 WeakPolarHBondContact CB-NE2 3.43Å; Y273-H307 PolarHBondContact O-CD2 3.15Å; I305-H307 VanDerWaalsContact C-N 3.29Å; I305-H307 PolarHBondContact O-N 3.21Å; H307-A309 PolarHBondContact O-N 2.99Å; H307-Q310 PolarHBondContact O-N 3.03Å; H307-M311 PolarHBondContact O-N 3.25Å |
| 308 | T | 62.1 | Low | 65.3 | Low | 55 Ų | 55 | 71.2 Ų | 71.2 | 34% | 0.337 | 38% | 0.377 | S | S | . | . | H | α-helix | trans | -66.5 | -38.5 | -176.9 | -16.6 | 0 | 0 | 0 | 0 | 111.9 | I305 M311 A312 I331 | I305-T308 PolarHBondContact O-N 3.36Å; T308-M311 PolarHBondContact O-N 3.06Å; T308-A312 WeakPolarHBondContact O-CB 3.49Å; T308-A312 PolarHBondContact O-N 2.93Å; T308-I331 WeakPolarHBondContact CB-O 3.4Å; T308-I331 WeakPolarHBondContact CG2-O 3.12Å; T308-I331 PolarHBondContact OG1-O 2.72Å |
| 309 | A | 62.2 | Low | 63.6 | Low | 37 Ų | 37 | 72.6 Ų | 72.6 | 31% | 0.306 | 38% | 0.38 | S | S | . | . | H | α-helix | trans | -63.1 | -42.8 | 172.9 | 0 | 0 | 0 | 0 | 0 | 112 | I305 H307 A312 T313 | I305-A309 WeakPolarHBondContact O-CB 3.47Å; I305-A309 PolarHBondContact O-N 2.82Å; H307-A309 PolarHBondContact O-N 2.99Å; A309-A312 PolarHBondContact O-N 3.43Å; A309-T313 WeakPolarHBondContact O-CG2 3.47Å; A309-T313 PolarHBondContact O-N 3.02Å; A309-T313 VanDerWaalsContact O-N 3.1Å; A309-T313 PolarHBondContact O-OG1 3.49Å |
| 310 | Q | 61.4 | Low | 61.7 | Low | 121 Ų | 121 | 78 Ų | 78 | 57% | 0.565 | 41% | 0.409 | S | S | * | . | H | α-helix | trans | -62.2 | -47.2 | 174.3 | -77.9 | 179.7 | 11 | 0 | 0 | 111.7 | T306 H307 A312 T313 V314 | T306-Q310 WeakPolarHBondContact O-CB 3.3Å; T306-Q310 VanDerWaalsContact O-CG 3.28Å; T306-Q310 WeakPolarHBondContact O-CG 3.5Å; T306-Q310 PolarHBondContact O-N 2.91Å; H307-Q310 PolarHBondContact O-N 3.03Å; Q310-A312 VanDerWaalsContact C-N 3.35Å; Q310-A312 PolarHBondContact O-N 3.33Å; Q310-T313 CarbonylContact O-C 3.58Å; Q310-T313 PolarHBondContact O-N 2.94Å; Q310-T313 VanDerWaalsContact O-N 3.13Å; Q310-T313 PolarHBondContact O-OG1 3.22Å; Q310-V314 WeakPolarHBondContact O-CG2 3.47Å; Q310-V314 PolarHBondContact O-N 3.12Å |
| 311 | M | 57.8 | Low | 59.5 | Low | 63 Ų | 63 | 76.2 Ų | 76.2 | 31% | 0.31 | 41% | 0.406 | S | S | . | . | H | α-helix | trans | -60.5 | -41.6 | 177.2 | -74.9 | -64.8 | 134.5 | 0 | 0 | 112.5 | H307 T308 T313 V314 I315 | H307-M311 PolarHBondContact O-N 3.25Å; T308-M311 PolarHBondContact O-N 3.06Å; M311-T313 VanDerWaalsContact C-N 3.33Å; M311-T313 PolarHBondContact O-N 3.03Å; M311-V314 PolarHBondContact O-N 3.14Å; M311-V314 VanDerWaalsContact O-N 3.09Å; M311-I315 WeakPolarHBondContact O-CG1 3.45Å; M311-I315 PolarHBondContact O-N 3.38Å |
| 312 | A | 55.7 | Low | 57.7 | Low | 27 Ų | 27 | 80.9 Ų | 80.9 | 22% | 0.223 | 44% | 0.442 | C | S | . | . | H | α-helix | trans | -56.6 | -46.2 | 172.9 | 0 | 0 | 0 | 0 | 0 | 111.6 | T308 A309 Q310 V314 I315 S316 | T308-A312 WeakPolarHBondContact O-CB 3.49Å; T308-A312 PolarHBondContact O-N 2.93Å; A309-A312 PolarHBondContact O-N 3.43Å; Q310-A312 VanDerWaalsContact C-N 3.35Å; Q310-A312 PolarHBondContact O-N 3.33Å; A312-V314 VanDerWaalsContact C-N 3.26Å; A312-V314 PolarHBondContact O-N 3.05Å; A312-I315 PolarHBondContact O-N 3.05Å; A312-S316 WeakPolarHBondContact O-CB 3.44Å; A312-S316 PolarHBondContact O-N 3.18Å; A312-S316 PolarHBondContact O-OG 2.96Å |
| 313 | T | 52.6 | Low | 55.7 | Low | 60 Ų | 60 | 80.8 Ų | 80.8 | 37% | 0.368 | 45% | 0.45 | S | S | . | . | H | α-helix | trans | -72.2 | -10.3 | 176.9 | 63.2 | 0 | 0 | 0 | 0 | 115.6 | A309 Q310 M311 K317 | A309-T313 WeakPolarHBondContact O-CG2 3.47Å; A309-T313 PolarHBondContact O-N 3.02Å; A309-T313 VanDerWaalsContact O-N 3.1Å; A309-T313 PolarHBondContact O-OG1 3.49Å; Q310-T313 CarbonylContact O-C 3.58Å; Q310-T313 PolarHBondContact O-N 2.94Å; Q310-T313 VanDerWaalsContact O-N 3.13Å; Q310-T313 PolarHBondContact O-OG1 3.22Å; M311-T313 VanDerWaalsContact C-N 3.33Å; M311-T313 PolarHBondContact O-N 3.03Å; T313-K317 WeakPolarHBondContact O-CD 3.3Å; T313-K317 WeakPolarHBondContact O-CG 3.49Å |
| 314 | V | 56.8 | Low | 53.9 | Low | 68 Ų | 68 | 83.3 Ų | 83.3 | 41% | 0.412 | 47% | 0.466 | S | S | . | . | H | α-helix | trans | -87.8 | -43.2 | 168.9 | 172.4 | 0 | 0 | 0 | 0 | 110 | Q310 M311 A312 S316 K317 Q318 | Q310-V314 WeakPolarHBondContact O-CG2 3.47Å; Q310-V314 PolarHBondContact O-N 3.12Å; M311-V314 PolarHBondContact O-N 3.14Å; M311-V314 VanDerWaalsContact O-N 3.09Å; A312-V314 VanDerWaalsContact C-N 3.26Å; A312-V314 PolarHBondContact O-N 3.05Å; V314-S316 PolarHBondContact O-N 3.48Å; V314-K317 PolarHBondContact O-N 2.88Å; V314-K317 VanDerWaalsContact O-N 3.09Å; V314-Q318 PolarHBondContact O-N 2.94Å |
| 315 | I | 51.5 | Low | 52.4 | Low | 100 Ų | 100 | 86 Ų | 86 | 51% | 0.513 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -63.2 | -42.3 | 176.6 | -66 | 165.1 | 0 | 0 | 0 | 110.5 | M311 A312 K317 Q318 L319 | M311-I315 WeakPolarHBondContact O-CG1 3.45Å; M311-I315 PolarHBondContact O-N 3.38Å; A312-I315 PolarHBondContact O-N 3.05Å; I315-K317 PolarHBondContact O-N 3.33Å; I315-K317 VanDerWaalsContact O-N 3.13Å; I315-Q318 PolarHBondContact O-N 2.86Å; I315-L319 PolarHBondContact O-N 3.05Å |
| 316 | S | 49.8 | Very low | 51.1 | Low | 55 Ų | 55 | 90 Ų | 90 | 39% | 0.385 | 51% | 0.509 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -70.3 | -1.5 | 175.3 | 81 | 0 | 0 | 0 | 0 | 114.4 | A312 V314 | A312-S316 WeakPolarHBondContact O-CB 3.44Å; A312-S316 PolarHBondContact O-N 3.18Å; A312-S316 PolarHBondContact O-OG 2.96Å; V314-S316 PolarHBondContact O-N 3.48Å |
| 317 | K | 50.9 | Low | 49.8 | Very low | 168 Ų | 168 | 93.3 Ų | 93.3 | 73% | 0.73 | 52% | 0.524 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -108.2 | -0.8 | 169.3 | -73.2 | 179.2 | 179.1 | 179.2 | 0 | 113.1 | T313 V314 I315 | T313-K317 WeakPolarHBondContact O-CD 3.3Å; T313-K317 WeakPolarHBondContact O-CG 3.49Å; V314-K317 PolarHBondContact O-N 2.88Å; V314-K317 VanDerWaalsContact O-N 3.09Å; I315-K317 PolarHBondContact O-N 3.33Å; I315-K317 VanDerWaalsContact O-N 3.13Å |
| 318 | Q | 50.7 | Low | 49 | Very low | 123 Ų | 123 | 94.9 Ų | 94.9 | 58% | 0.575 | 53% | 0.534 | S | S | * | . | S | Bend | trans | -112.7 | 5.6 | 174.3 | -68.1 | -174.3 | -7.5 | 0 | 0 | 112.4 | V314 I315 | V314-Q318 PolarHBondContact O-N 2.94Å; I315-Q318 PolarHBondContact O-N 2.86Å |
| 319 | L | 47.9 | Very low | 48.1 | Very low | 86 Ų | 86 | 98.9 Ų | 98.9 | 45% | 0.45 | 56% | 0.558 | S | S | . | * | S | Bend | trans | -115.2 | 122.6 | 156.7 | -101.1 | 61.6 | 0 | 0 | 0 | 106 | I315 S321 | I315-L319 PolarHBondContact O-N 3.05Å; L319-S321 PolarHBondContact O-N 3.42Å |
| 320 | D | 43.7 | Very low | 47.6 | Very low | 174 Ų | 174 | 100.6 Ų | 100.6 | 93% | 0.93 | 58% | 0.579 | S | S | * | * | trans | -77.3 | 52.9 | 173.9 | -61.9 | -60.7 | 0 | 0 | 0 | 111.1 | ||||
| 321 | S | 40.3 | Very low | 47.5 | Very low | 56 Ų | 56 | 97.1 Ų | 97.1 | 39% | 0.392 | 56% | 0.564 | S | S | . | * | trans | -125.6 | 113.8 | 179.4 | 62.6 | 0 | 0 | 0 | 0 | 109.4 | L319 V323 | L319-S321 PolarHBondContact O-N 3.42Å; S321-V323 PolarHBondContact O-N 2.86Å | ||
| 322 | S | 42.8 | Very low | 47.9 | Very low | 125 Ų | 125 | 95.2 Ų | 95.2 | 87% | 0.874 | 56% | 0.556 | S | S | * | * | trans | -74.5 | 47.3 | 179.8 | 61.7 | 0 | 0 | 0 | 0 | 113 | ||||
| 323 | V | 37.7 | Very low | 48.6 | Very low | 117 Ų | 117 | 100.4 Ų | 100.4 | 71% | 0.709 | 58% | 0.575 | S | S | * | * | trans | -78.4 | 126.3 | 174 | -177.9 | 0 | 0 | 0 | 0 | 107.9 | S321 | S321-V323 PolarHBondContact O-N 2.86Š| ||
| 324 | D | 37.2 | Very low | 49.7 | Very low | 131 Ų | 131 | 101.1 Ų | 101.1 | 70% | 0.701 | 58% | 0.576 | S | S | * | * | trans | -59.9 | 144.5 | -173.9 | -80.8 | -64.3 | 0 | 0 | 0 | 113 | V326 | D324-V326 HydrophobicContact CB-CG2 4.31Å; D324-V326 PolarHBondContact O-N 3.25Å | ||
| 325 | V | 40.7 | Very low | 50.6 | Low | 90 Ų | 90 | 102.6 Ų | 102.6 | 55% | 0.545 | 58% | 0.582 | S | S | . | * | G | 310 helix | trans | -66.4 | -8.5 | -173.6 | 179.2 | 0 | 0 | 0 | 0 | 112.9 | N328 | V325-N328 PolarHBondContact O-ND2 3.17Š|
| 326 | V | 42 | Very low | 51.6 | Low | 122 Ų | 122 | 100.9 Ų | 100.9 | 74% | 0.739 | 58% | 0.576 | S | S | * | * | G | 310 helix | trans | -66.9 | -43.6 | -167.1 | -178.3 | 0 | 0 | 0 | 0 | 113.6 | D324 N328 | D324-V326 HydrophobicContact CB-CG2 4.31Å; D324-V326 PolarHBondContact O-N 3.25Å; V326-N328 VanDerWaalsContact C-N 3.29Å; V326-N328 PolarHBondContact O-N 2.92Å |
| 327 | D | 40.8 | Very low | 52.6 | Low | 141 Ų | 141 | 101.7 Ų | 101.7 | 75% | 0.754 | 59% | 0.593 | S | S | * | * | G | 310 helix | trans | -90.1 | 22.8 | -168.7 | -67.6 | -31.9 | 0 | 0 | 0 | 114.8 | V329 | D327-V329 PolarHBondContact O-N 3.38Š|
| 328 | N | 45 | Very low | 54 | Low | 73 Ų | 73 | 99.4 Ų | 99.4 | 39% | 0.39 | 58% | 0.583 | S | S | . | * | trans | -78.1 | 61.5 | 179.2 | -76.3 | -70.9 | 0 | 0 | 0 | 113 | V325 V326 G330 I331 | V325-N328 PolarHBondContact O-ND2 3.17Å; V326-N328 VanDerWaalsContact C-N 3.29Å; V326-N328 PolarHBondContact O-N 2.92Å; N328-G330 PolarHBondContact O-N 3Å; N328-I331 HydrophobicContact CB-CD1 3.66Å; N328-I331 HydrophobicContact CB-CG1 3.87Å; N328-I331 WeakPolarHBondContact O-CD1 3.48Å; N328-I331 VanDerWaalsContact O-CG1 3.28Å; N328-I331 WeakPolarHBondContact O-CG1 3.49Å; N328-I331 PolarHBondContact O-N 3.39Å | ||
| 329 | V | 43 | Very low | 55.3 | Low | 140 Ų | 140 | 105 Ų | 105 | 85% | 0.848 | 60% | 0.599 | S | S | * | * | G | 310 helix | trans | -56.1 | -17.8 | 174.7 | -178.9 | 0 | 0 | 0 | 0 | 112.6 | D327 | D327-V329 PolarHBondContact O-N 3.38Š|
| 330 | G | 52 | Low | 56.6 | Low | 72 Ų | 72 | 109.8 Ų | 109.8 | 74% | 0.742 | 62% | 0.616 | S | S | * | * | G | 310 helix | trans | -83.8 | 5 | 177.6 | 0 | 0 | 0 | 0 | 0 | 117.6 | N328 V332 | N328-G330 PolarHBondContact O-N 3Å; G330-V332 PolarHBondContact O-N 3.39Å; G330-V332 VanDerWaalsContact O-N 3.17Å |
| 331 | I | 59.3 | Low | 58.2 | Low | 49 Ų | 49 | 111.4 Ų | 111.4 | 25% | 0.251 | 62% | 0.616 | S | S | . | * | G | 310 helix | trans | -63.2 | -20.3 | -176.7 | -71.6 | 162.4 | 0 | 0 | 0 | 113.5 | I305 T308 N328 | I305-I331 HydrophobicContact CB-CG2 4.49Å; T308-I331 WeakPolarHBondContact CB-O 3.4Å; T308-I331 WeakPolarHBondContact CG2-O 3.12Å; T308-I331 PolarHBondContact OG1-O 2.72Å; N328-I331 HydrophobicContact CB-CD1 3.66Å; N328-I331 HydrophobicContact CB-CG1 3.87Å; N328-I331 WeakPolarHBondContact O-CD1 3.48Å; N328-I331 VanDerWaalsContact O-CG1 3.28Å; N328-I331 WeakPolarHBondContact O-CG1 3.49Å; N328-I331 PolarHBondContact O-N 3.39Å |
| 332 | V | 65.5 | Low | 59.9 | Low | 23 Ų | 23 | 120 Ų | 120 | 14% | 0.139 | 64% | 0.639 | C | S | . | * | trans | -126.7 | 112 | -166.2 | -169.1 | 0 | 0 | 0 | 0 | 112.3 | L288 Y301 I305 G330 L334 | L288-V332 HydrophobicContact CD1-CG1 4.42Å; L288-V332 HydrophobicContact CD2-CB 4.07Å; L288-V332 HydrophobicContact CD2-CG1 4.38Å; L288-V332 HydrophobicContact CD2-CG2 3.68Å; Y301-V332 HydrophobicContact CD1-CG1 3.67Å; Y301-V332 HydrophobicContact CD2-CG1 3.58Å; Y301-V332 HydrophobicContact CE1-CG1 3.46Å; Y301-V332 VanDerWaalsContact CE1-CG1 3.46Å; Y301-V332 HydrophobicContact CE2-CG1 3.38Å; Y301-V332 HydrophobicContact CG-CG1 3.71Å; I305-V332 HydrophobicContact CG2-CG1 4.37Å; I305-V332 HydrophobicContact CG2-CG2 3.87Å; G330-V332 PolarHBondContact O-N 3.39Å; G330-V332 VanDerWaalsContact O-N 3.17Å; V332-L334 HydrophobicContact CB-CD2 4.47Å; V332-L334 HydrophobicContact CG1-CD2 3.87Å; V332-L334 PolarHBondContact O-N 3.12Å | ||
| 333 | E | 69.9 | Low | 61.5 | Low | 136 Ų | 136 | 119.2 Ų | 119.2 | 64% | 0.636 | 62% | 0.62 | S | S | * | * | trans | -79 | 90.1 | 175.7 | -171.7 | 175.3 | -138.4 | 0 | 0 | 111 | Y301 D335 V336 | Y301-E333 PolarHBondContact OH-O 2.86Å; E333-D335 PolarHBondContact O-N 2.99Å; E333-V336 HydrophobicContact CB-CG2 4.04Å; E333-V336 HydrophobicContact CG-CG2 4.15Å; E333-V336 WeakPolarHBondContact O-CG2 3.43Å; E333-V336 PolarHBondContact O-N 3.41Å; E333-V336 VanDerWaalsContact O-N 3.13Å | ||
| 334 | L | 77.4 | Confident | 63.4 | Low | 74 Ų | 74 | 116.5 Ų | 116.5 | 39% | 0.387 | 61% | 0.605 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -62.8 | -5.4 | -178.2 | -57.3 | 179.2 | 0 | 0 | 0 | 114.9 | L288 L299 Y301 V332 K338 | L288-L334 HydrophobicContact CD1-CD2 3.57Å; L299-L334 HydrophobicContact CD2-CD2 4.49Å; Y301-L334 HydrophobicContact CD2-CD2 4.19Å; Y301-L334 HydrophobicContact CE2-CD2 4.35Å; V332-L334 HydrophobicContact CB-CD2 4.47Å; V332-L334 HydrophobicContact CG1-CD2 3.87Å; V332-L334 PolarHBondContact O-N 3.12Å; L334-K338 WeakPolarHBondContact O-CE 3.26Å; L334-K338 PolarHBondContact O-NZ 3.2Å |
| 335 | D | 75 | Confident | 65 | Low | 100 Ų | 100 | 119.1 Ų | 119.1 | 54% | 0.535 | 61% | 0.61 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -92 | -7 | 177.2 | -80.6 | -3.1 | 0 | 0 | 0 | 113.8 | E333 G337 K338 | E333-D335 PolarHBondContact O-N 2.99Å; D335-G337 PolarHBondContact O-N 3.4Å; D335-K338 PolarHBondContact O-N 2.92Å; D335-K338 WeakPolarHBondContact OD1-CD 3.43Å; D335-K338 IonicContact OD1-NZ 3.77Å; D335-K338 PolarHBondContact OD1-NZ 2.93Å |
| 336 | V | 73.1 | Confident | 66.4 | Low | 64 Ų | 64 | 120.2 Ų | 120.2 | 39% | 0.388 | 61% | 0.609 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -59 | 137.9 | 170.4 | -179.6 | 0 | 0 | 0 | 0 | 109.6 | H303 E333 K338 | H303-V336 VanDerWaalsContact CD2-CG1 3.44Å; H303-V336 WeakPolarHBondContact CD2-CG1 3.44Å; E333-V336 HydrophobicContact CB-CG2 4.04Å; E333-V336 HydrophobicContact CG-CG2 4.15Å; E333-V336 WeakPolarHBondContact O-CG2 3.43Å; E333-V336 PolarHBondContact O-N 3.41Å; E333-V336 VanDerWaalsContact O-N 3.13Å; V336-K338 PolarHBondContact O-N 3.01Å; V336-K338 VanDerWaalsContact O-N 3.07Å |
| 337 | G | 69.6 | Low | 68 | Low | 72 Ų | 72 | 121.3 Ų | 121.3 | 74% | 0.742 | 60% | 0.6 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 75.5 | -19.1 | -178 | 0 | 0 | 0 | 0 | 0 | 116.2 | D335 R339 | D335-G337 PolarHBondContact O-N 3.4Å; G337-R339 PolarHBondContact O-N 2.83Å |
| 338 | K | 81.2 | Confident | 69.6 | Low | 119 Ų | 119 | 120 Ų | 120 | 52% | 0.517 | 59% | 0.587 | S | S | . | * | trans | -62.2 | 135.5 | -179.9 | -69.7 | -171.6 | -178.6 | 135 | 0 | 111.9 | L334 D335 V336 K340 | L334-K338 WeakPolarHBondContact O-CE 3.26Å; L334-K338 PolarHBondContact O-NZ 3.2Å; D335-K338 PolarHBondContact O-N 2.92Å; D335-K338 WeakPolarHBondContact OD1-CD 3.43Å; D335-K338 IonicContact OD1-NZ 3.77Å; D335-K338 PolarHBondContact OD1-NZ 2.93Å; V336-K338 PolarHBondContact O-N 3.01Å; V336-K338 VanDerWaalsContact O-N 3.07Å; K338-K340 PolarHBondContact O-N 3.18Å | ||
| 339 | R | 77.5 | Confident | 71 | Confident | 241 Ų | 241 | 119.1 Ų | 119.1 | 91% | 0.909 | 59% | 0.586 | S | S | * | * | trans | -65.3 | 97.4 | 174.9 | -97.3 | -173.7 | 172.5 | -177.7 | 0.5 | 110.5 | G337 F341 | G337-R339 PolarHBondContact O-N 2.83Å; R339-F341 PolarHBondContact O-N 3.29Å; R339-F341 VanDerWaalsContact O-N 3.13Å | ||
| 340 | K | 76 | Confident | 72.5 | Confident | 187 Ų | 187 | 114 Ų | 114 | 81% | 0.813 | 55% | 0.554 | S | S | * | * | trans | -61.2 | 113 | 171.4 | -63.5 | -173 | 178.9 | -175.6 | 0 | 109.9 | K338 R342 | K338-K340 PolarHBondContact O-N 3.18Å; K340-R342 PolarHBondContact O-N 3.35Å | ||
| 341 | F | 75.7 | Confident | 73.1 | Confident | 208 Ų | 208 | 116 Ų | 116 | 91% | 0.912 | 55% | 0.551 | S | S | * | * | P | Polyproline II helix | trans | -59.4 | 118.6 | 178.5 | -74 | -85.2 | 0 | 0 | 0 | 110.8 | R339 K343 | R339-F341 PolarHBondContact O-N 3.29Å; R339-F341 VanDerWaalsContact O-N 3.13Å; F341-K343 PolarHBondContact O-N 3.39Å |
| 342 | R | 76.8 | Confident | 73.1 | Confident | 236 Ų | 236 | 116.9 Ų | 116.9 | 89% | 0.891 | 56% | 0.556 | S | S | * | * | P | Polyproline II helix | trans | -72.6 | 120.4 | 177.6 | -76.8 | -177.9 | 162.9 | -168.7 | -5.5 | 110 | K340 P344 | K340-R342 PolarHBondContact O-N 3.35Å; R342-P344 WeakPolarHBondContact O-CD 3.4Å |
| 343 | K | 77.1 | Confident | 72.5 | Confident | 108 Ų | 108 | 125.6 Ų | 125.6 | 47% | 0.47 | 59% | 0.586 | S | S | . | * | P | Polyproline II helix | trans | -50.7 | 123.7 | 166.9 | -72 | -169.7 | 177.6 | -176.1 | 0 | 109 | F341 R347 K348 E542 | F341-K343 PolarHBondContact O-N 3.39Å; K343-R347 WeakPolarHBondContact CD-O 3.48Å; K343-K348 HydrophobicContact CB-CG 4.31Å; K343-E542 IonicContact NZ-OE1 2.68Å; K343-E542 IonicContact NZ-OE2 3.15Å; K343-E542 PolarHBondContact NZ-OE2 3.23Å |
| 344 | P | 76 | Confident | 72 | Confident | 60 Ų | 60 | 122.4 Ų | 122.4 | 39% | 0.39 | 58% | 0.579 | S | S | . | * | P | Polyproline II helix | trans | -55.6 | 153.5 | 175.9 | -28.2 | 36.3 | 0 | 0 | 0 | 112.3 | R342 H346 R347 K348 | R342-P344 WeakPolarHBondContact O-CD 3.4Å; P344-H346 WeakPolarHBondContact CB-CE1 3.24Å; P344-H346 PolarHBondContact O-N 3.26Å; P344-H346 VanDerWaalsContact O-N 3.12Å; P344-R347 CarbonylContact O-C 3.37Å; P344-R347 WeakPolarHBondContact O-CA 3.45Å; P344-R347 PolarHBondContact O-N 3.44Å; P344-K348 PolarHBondContact O-N 2.81Å |
| 345 | K | 71.6 | Confident | 71.3 | Confident | 187 Ų | 187 | 123.2 Ų | 123.2 | 81% | 0.813 | 58% | 0.583 | S | S | * | * | G | 310 helix | trans | -52.6 | -40.4 | -173.6 | -169.2 | -177.5 | 177.8 | -173.6 | 0 | 112.6 | R347 K348 | K345-R347 VanDerWaalsContact C-N 3.27Å; K345-R347 PolarHBondContact O-N 2.84Å; K345-K348 PolarHBondContact O-N 3.39Å |
| 346 | H | 70.8 | Confident | 71.1 | Confident | 112 Ų | 112 | 122.8 Ų | 122.8 | 52% | 0.519 | 58% | 0.577 | S | S | . | * | G | 310 helix | trans | -75 | -6.6 | 179.1 | 70.5 | -76.5 | 0 | 0 | 0 | 115.5 | P344 I543 | P344-H346 WeakPolarHBondContact CB-CE1 3.24Å; P344-H346 PolarHBondContact O-N 3.26Å; P344-H346 VanDerWaalsContact O-N 3.12Å; H346-I543 WeakPolarHBondContact O-CG2 3.07Å |
| 347 | R | 74.9 | Confident | 71 | Confident | 146 Ų | 146 | 121 Ų | 121 | 55% | 0.551 | 56% | 0.564 | S | S | * | * | G | 310 helix | trans | -120.1 | 11.6 | 176.5 | -55.2 | -169.6 | -177.5 | -174.1 | 1.4 | 113.1 | K343 P344 K345 I543 | K343-R347 WeakPolarHBondContact CD-O 3.48Å; P344-R347 CarbonylContact O-C 3.37Å; P344-R347 WeakPolarHBondContact O-CA 3.45Å; P344-R347 PolarHBondContact O-N 3.44Å; K345-R347 VanDerWaalsContact C-N 3.27Å; K345-R347 PolarHBondContact O-N 2.84Å; R347-I543 HydrophobicContact CB-CD1 4.36Å; R347-I543 HydrophobicContact CG-CD1 4.48Å |
| 348 | K | 74.6 | Confident | 71.3 | Confident | 113 Ų | 113 | 119.2 Ų | 119.2 | 49% | 0.491 | 54% | 0.535 | S | S | . | . | S | Bend | trans | -72.3 | 149.2 | 170.3 | -72.8 | -173.1 | 176.5 | -172.9 | 0 | 109.4 | K343 P344 K345 | K343-K348 HydrophobicContact CB-CG 4.31Å; P344-K348 PolarHBondContact O-N 2.81Å; K345-K348 PolarHBondContact O-N 3.39Å |
| 349 | P | 74.4 | Confident | 71.5 | Confident | 54 Ų | 54 | 113.6 Ų | 113.6 | 35% | 0.351 | 51% | 0.51 | S | S | . | . | P | Polyproline II helix | trans | -61.9 | 150.9 | 169.6 | 28.8 | -35.5 | 0 | 0 | 0 | 110.3 | V351 E542 | P349-V351 PolarHBondContact O-N 2.9Å; P349-E542 CarbonylContact C-O 3.32Å; P349-E542 VanDerWaalsContact CA-O 3.22Å; P349-E542 WeakPolarHBondContact CA-O 3.26Å; P349-E542 HydrophobicContact CB-CB 4.11Å |
| 350 | L | 73.2 | Confident | 71.9 | Confident | 34 Ų | 34 | 104.8 Ų | 104.8 | 18% | 0.178 | 48% | 0.481 | C | S | . | . | P | Polyproline II helix | trans | -61.5 | 127.1 | 168.9 | -171.2 | 70.8 | 0 | 0 | 0 | 109 | D352 M461 E542 | L350-D352 HydrophobicContact CD2-CB 4.29Å; L350-D352 HydrophobicContact CG-CB 4.35Å; L350-M461 HydrophobicContact CD1-CE 3.9Å; L350-E542 PolarHBondContact N-O 3.29Å |
| 351 | V | 64.8 | Low | 72.5 | Confident | 114 Ų | 114 | 99.8 Ų | 99.8 | 69% | 0.691 | 46% | 0.463 | S | S | * | . | trans | -112.1 | 66.2 | 173.4 | -171.9 | 0 | 0 | 0 | 0 | 107.6 | P349 | P349-V351 PolarHBondContact O-N 2.9Š| ||
| 352 | D | 59.9 | Low | 73.2 | Confident | 66 Ų | 66 | 92.1 Ų | 92.1 | 35% | 0.353 | 44% | 0.438 | S | S | . | . | trans | -72.1 | 145.8 | 165.5 | -112.1 | -43.1 | 0 | 0 | 0 | 109.3 | L350 R465 | L350-D352 HydrophobicContact CD2-CB 4.29Å; L350-D352 HydrophobicContact CG-CB 4.35Å; D352-R465 IonicContact OD1-CZ 2.88Å; D352-R465 IonicContact OD1-NH2 2.92Å; D352-R465 PolarHBondContact OD1-NH2 3.4Å; D352-R465 IonicContact OD2-CZ 4Å; D352-R465 IonicContact OD2-NE 2.77Å; D352-R465 PolarHBondContact OD2-NE 2.86Å; D352-R465 IonicContact OD2-NH2 2.71Å; D352-R465 PolarHBondContact OD2-NH2 3.12Å | ||
| 353 | R | 53.5 | Low | 74 | Confident | 206 Ų | 206 | 81.2 Ų | 81.2 | 78% | 0.777 | 40% | 0.397 | S | S | * | . | trans | -132.3 | 105.6 | 176.2 | -71.9 | -177 | 174.6 | -168.7 | -4 | 106.9 | I355 | R353-I355 PolarHBondContact O-N 3.04Š| ||
| 354 | S | 58.6 | Low | 74.7 | Confident | 69 Ų | 69 | 76.1 Ų | 76.1 | 48% | 0.483 | 38% | 0.375 | S | S | . | . | trans | -68.4 | 111.7 | 175.9 | 45.9 | 0 | 0 | 0 | 0 | 109.4 | H356 | S354-H356 WeakPolarHBondContact CB-CE1 3.48Å; S354-H356 PolarHBondContact O-N 2.69Å; S354-H356 PolarHBondContact OG-CE1 3.19Å; S354-H356 PolarHBondContact OG-ND1 3.12Å | ||
| 355 | I | 63.6 | Low | 75.5 | Confident | 91 Ų | 91 | 76.7 Ų | 76.7 | 47% | 0.467 | 37% | 0.374 | S | S | . | . | trans | -80.5 | 74.8 | -179.2 | -55.1 | 160.9 | 0 | 0 | 0 | 107.7 | P174 V176 R353 | P174-I355 HydrophobicContact CG-CD1 4.38Å; P174-I355 HydrophobicContact CG-CG2 4.47Å; V176-I355 HydrophobicContact CG2-CD1 3.87Å; V176-I355 HydrophobicContact CG2-CG1 4.36Å; V176-I355 HydrophobicContact CG2-CG2 3.8Å; R353-I355 PolarHBondContact O-N 3.04Å | ||
| 356 | H | 70.8 | Confident | 76.6 | Confident | 91 Ų | 91 | 68.8 Ų | 68.8 | 42% | 0.421 | 34% | 0.339 | S | S | . | . | trans | -85.7 | 127.8 | 165.7 | -56.5 | 110.7 | 0 | 0 | 0 | 108.1 | E231 T233 S354 | E231-H356 WeakPolarHBondContact O-CA 3.43Å; T233-H356 HydrophobicContact CG2-CB 4.22Å; T233-H356 VanDerWaalsContact CG2-CD2 3.41Å; T233-H356 WeakPolarHBondContact CG2-CD2 3.5Å; S354-H356 WeakPolarHBondContact CB-CE1 3.48Å; S354-H356 PolarHBondContact O-N 2.69Å; S354-H356 PolarHBondContact OG-CE1 3.19Å; S354-H356 PolarHBondContact OG-ND1 3.12Å | ||
| 357 | R | 70.3 | Confident | 77.8 | Confident | 28 Ų | 28 | 63.4 Ų | 63.4 | 11% | 0.106 | 32% | 0.315 | C | S | . | . | trans | -126.7 | 136.1 | -179.8 | -176.7 | 175.8 | -178.3 | -81.6 | -12.5 | 109 | T182 D185 D190 E231 S359 | T182-R357 PolarHBondContact O-NE 3.19Å; T182-R357 PolarHBondContact O-NH2 2.91Å; D185-R357 VanDerWaalsContact O-CZ 3.27Å; D185-R357 PolarHBondContact O-NH1 2.95Å; D185-R357 PolarHBondContact O-NH2 2.7Å; D190-R357 IonicContact OD2-NH1 2.64Å; D190-R357 PolarHBondContact OD2-NH1 3.16Å; E231-R357 PolarHBondContact O-N 3.26Å; R357-S359 PolarHBondContact O-N 3.42Å | ||
| 358 | R | 75.9 | Confident | 78.7 | Confident | 34 Ų | 34 | 57.5 Ų | 57.5 | 13% | 0.128 | 29% | 0.293 | C | S | . | . | trans | -83.2 | 110.9 | 173.9 | -169.3 | 169.3 | 177 | -139.9 | -22 | 110.2 | D183 E184 | D183-R358 HydrophobicContact CB-CB 4.11Å; D183-R358 PolarHBondContact OD1-N 3.03Å; E184-R358 WeakPolarHBondContact CA-O 3.16Å; E184-R358 HydrophobicContact CG-CG 4.39Å; E184-R358 PolarHBondContact N-O 2.97Å; E184-R358 IonicContact OE1-CZ 2.63Å; E184-R358 IonicContact OE1-NE 2.71Å; E184-R358 IonicContact OE1-NH1 3.88Å; E184-R358 PolarHBondContact OE1-NH1 3.5Å; E184-R358 IonicContact OE1-NH2 2.7Å | ||
| 359 | S | 84.5 | Confident | 79.6 | Confident | 1 Ų | 1 | 53.6 Ų | 53.6 | 1% | 0.007 | 29% | 0.285 | C | S | . | . | trans | -70.8 | 164.6 | 172.6 | -57.1 | 0 | 0 | 0 | 0 | 112.5 | D190 Q232 R357 Q364 | D190-S359 WeakPolarHBondContact OD1-CB 3.37Å; D190-S359 PolarHBondContact OD1-OG 2.92Å; Q232-S359 PolarHBondContact NE2-OG 2.94Å; R357-S359 PolarHBondContact O-N 3.42Å; S359-Q364 VanDerWaalsContact O-CG 3.3Å; S359-Q364 WeakPolarHBondContact O-CG 3.25Å | ||
| 360 | I | 87.8 | Confident | 80.7 | Confident | 55 Ų | 55 | 51.2 Ų | 51.2 | 28% | 0.282 | 27% | 0.269 | S | S | . | . | trans | -56.8 | 142.3 | 173.7 | -71.2 | 162.1 | 0 | 0 | 0 | 111.2 | E184 V186 A362 V363 Q364 | E184-I360 WeakPolarHBondContact O-CG1 3.31Å; V186-I360 HydrophobicContact CB-CD1 3.95Å; V186-I360 HydrophobicContact CG1-CD1 4.32Å; V186-I360 HydrophobicContact CG2-CD1 3.41Å; V186-I360 VanDerWaalsContact CG2-CD1 3.41Å; I360-A362 HydrophobicContact CG2-CB 4.21Å; I360-A362 PolarHBondContact O-N 3.27Å; I360-A362 VanDerWaalsContact O-N 3.08Å; I360-V363 WeakPolarHBondContact O-CA 3.49Å; I360-V363 PolarHBondContact O-N 2.78Å; I360-Q364 WeakPolarHBondContact O-CG 3.45Å; I360-Q364 PolarHBondContact O-N 3.37Å | ||
| 361 | L | 87.5 | Confident | 81.8 | Confident | 83 Ų | 83 | 49.6 Ų | 49.6 | 44% | 0.435 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -50.8 | -36.4 | -177.2 | -179.5 | 62 | 0 | 0 | 0 | 114.1 | Q364 L365 | L361-Q364 PolarHBondContact O-N 3.31Å; L361-L365 HydrophobicContact CD1-CD1 4.12Å; L361-L365 HydrophobicContact CD1-CG 4.01Å; L361-L365 HydrophobicContact CG-CD1 3.96Å; L361-L365 HydrophobicContact CG-CG 4.3Å; L361-L365 WeakPolarHBondContact O-CB 3.38Å; L361-L365 VanDerWaalsContact O-CG 3.28Å; L361-L365 WeakPolarHBondContact O-CG 3.41Å; L361-L365 PolarHBondContact O-N 3.09Å |
| 362 | A | 91.4 | Very high | 83.2 | Confident | 47 Ų | 47 | 45.9 Ų | 45.9 | 39% | 0.388 | 23% | 0.234 | S | C | . | . | H | α-helix | trans | -59.8 | -46.9 | 175 | 0 | 0 | 0 | 0 | 0 | 112.3 | W194 I360 L365 Y366 | W194-A362 HydrophobicContact CH2-CB 4.44Å; W194-A362 HydrophobicContact CZ3-CB 4.32Å; I360-A362 HydrophobicContact CG2-CB 4.21Å; I360-A362 PolarHBondContact O-N 3.27Å; I360-A362 VanDerWaalsContact O-N 3.08Å; A362-L365 PolarHBondContact O-N 3.27Å; A362-Y366 WeakPolarHBondContact O-CB 3.3Å; A362-Y366 PolarHBondContact O-N 3.4Å |
| 363 | V | 92.4 | Very high | 84.9 | Confident | 6 Ų | 6 | 47 Ų | 47 | 4% | 0.036 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -67.4 | -38.8 | 174.9 | -177.3 | 0 | 0 | 0 | 0 | 110.6 | D190 L193 W194 I360 L365 Y366 L367 | D190-V363 HydrophobicContact CB-CG2 4.37Å; L193-V363 HydrophobicContact CB-CG1 4.47Å; L193-V363 HydrophobicContact CD1-CG1 4.28Å; W194-V363 HydrophobicContact CE3-CG2 4.27Å; I360-V363 WeakPolarHBondContact O-CA 3.49Å; I360-V363 PolarHBondContact O-N 2.78Å; V363-L365 VanDerWaalsContact C-N 3.35Å; V363-L365 PolarHBondContact O-N 2.8Å; V363-Y366 PolarHBondContact O-N 3.25Å; V363-L367 HydrophobicContact CG1-CD1 4.02Å; V363-L367 HydrophobicContact CG1-CG 4.29Å; V363-L367 WeakPolarHBondContact O-CB 3.24Å; V363-L367 VanDerWaalsContact O-CG 3.3Å; V363-L367 WeakPolarHBondContact O-CG 3.39Å; V363-L367 PolarHBondContact O-N 2.91Å |
| 364 | Q | 92.1 | Very high | 87 | Confident | 1 Ų | 1 | 37.2 Ų | 37.2 | 1% | 0.005 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -61.8 | -40.5 | 175.6 | -55.8 | -156.2 | -80.8 | 0 | 0 | 112.3 | L237 A240 S359 I360 L361 Q368 | L237-Q364 HydrophobicContact CD2-CB 4.15Å; L237-Q364 HydrophobicContact CD2-CG 4.49Å; A240-Q364 HydrophobicContact CB-CB 3.84Å; S359-Q364 VanDerWaalsContact O-CG 3.3Å; S359-Q364 WeakPolarHBondContact O-CG 3.25Å; I360-Q364 WeakPolarHBondContact O-CG 3.45Å; I360-Q364 PolarHBondContact O-N 3.37Å; L361-Q364 PolarHBondContact O-N 3.31Å; Q364-Q368 VanDerWaalsContact O-CB 3.23Å; Q364-Q368 WeakPolarHBondContact O-CB 3.3Å; Q364-Q368 PolarHBondContact O-N 2.85Å |
| 365 | L | 92.5 | Very high | 88.8 | Confident | 73 Ų | 73 | 34 Ų | 34 | 38% | 0.382 | 18% | 0.177 | S | C | . | . | H | α-helix | trans | -71.7 | -40.3 | 178.2 | -71.5 | 170.5 | 0 | 0 | 0 | 112.1 | A240 L361 A362 V363 Q368 G369 | A240-L365 HydrophobicContact CB-CD2 4.47Å; L361-L365 HydrophobicContact CD1-CD1 4.12Å; L361-L365 HydrophobicContact CD1-CG 4.01Å; L361-L365 HydrophobicContact CG-CD1 3.96Å; L361-L365 HydrophobicContact CG-CG 4.3Å; L361-L365 WeakPolarHBondContact O-CB 3.38Å; L361-L365 VanDerWaalsContact O-CG 3.28Å; L361-L365 WeakPolarHBondContact O-CG 3.41Å; L361-L365 PolarHBondContact O-N 3.09Å; A362-L365 PolarHBondContact O-N 3.27Å; V363-L365 VanDerWaalsContact C-N 3.35Å; V363-L365 PolarHBondContact O-N 2.8Å; L365-Q368 PolarHBondContact O-N 2.96Å; L365-G369 PolarHBondContact O-N 3.47Å |
| 366 | Y | 94.7 | Very high | 90.2 | Very high | 20 Ų | 20 | 33.6 Ų | 33.6 | 8% | 0.078 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -55.5 | -54.5 | 170.2 | 158.8 | -116.5 | 0 | 0 | 0 | 111.1 | L193 H197 D202 M228 A362 V363 Q368 G369 F370 | L193-Y366 HydrophobicContact CB-CE1 4.42Å; H197-Y366 HydrophobicContact CB-CD1 4.44Å; H197-Y366 HydrophobicContact CB-CD2 3.97Å; H197-Y366 HydrophobicContact CB-CE1 4.14Å; H197-Y366 HydrophobicContact CB-CE2 3.66Å; H197-Y366 HydrophobicContact CB-CG 4.36Å; H197-Y366 AromaticContact CD2-CD2 3.93Å; H197-Y366 AromaticContact CE1-CD2 3.9Å; H197-Y366 AromaticContact CG-CD2 3.54Å; H197-Y366 AromaticContact CG-CE2 3.6Å; H197-Y366 AromaticContact ND1-CD2 3.52Å; H197-Y366 AromaticContact ND1-CE2 3.48Å; H197-Y366 WeakPolarHBondContact ND1-CE2 3.48Å; D202-Y366 HydrophobicContact CB-CE2 4.08Å; D202-Y366 WeakPolarHBondContact OD2-CE2 3.31Å; M228-Y366 WeakPolarHBondContact CE-OH 3.46Å; A362-Y366 WeakPolarHBondContact O-CB 3.3Å; A362-Y366 PolarHBondContact O-N 3.4Å; V363-Y366 PolarHBondContact O-N 3.25Å; Y366-Q368 VanDerWaalsContact C-N 3.34Å; Y366-Q368 PolarHBondContact O-N 3.44Å; Y366-G369 PolarHBondContact O-N 3.25Å; Y366-F370 PolarHBondContact O-N 3.35Å |
| 367 | L | 95.6 | Very high | 91.4 | Very high | 0 Ų | 0 | 34.9 Ų | 34.9 | 0% | 0 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -64.6 | -35.8 | -179.8 | -66.3 | 175.8 | 0 | 0 | 0 | 112.5 | L193 L229 Q232 L237 V363 C371 | L193-L367 HydrophobicContact CD1-CD1 4.18Å; L193-L367 HydrophobicContact CD1-CD2 4.42Å; L193-L367 HydrophobicContact CD2-CD2 4.39Å; L229-L367 HydrophobicContact CD2-CB 4.18Å; L229-L367 HydrophobicContact CD2-CD1 4.3Å; L229-L367 HydrophobicContact CD2-CD2 3.95Å; L229-L367 HydrophobicContact CD2-CG 4.38Å; Q232-L367 HydrophobicContact CG-CD1 3.9Å; L237-L367 HydrophobicContact CD1-CB 3.94Å; L237-L367 HydrophobicContact CD2-CB 4.06Å; L237-L367 HydrophobicContact CD2-CD1 4.34Å; V363-L367 HydrophobicContact CG1-CD1 4.02Å; V363-L367 HydrophobicContact CG1-CG 4.29Å; V363-L367 WeakPolarHBondContact O-CB 3.24Å; V363-L367 VanDerWaalsContact O-CG 3.3Å; V363-L367 WeakPolarHBondContact O-CG 3.39Å; V363-L367 PolarHBondContact O-N 2.91Å; L367-C371 VanDerWaalsContact O-CB 3.28Å; L367-C371 WeakPolarHBondContact O-CB 3.45Å; L367-C371 PolarHBondContact O-N 3.49Å; L367-C371 PolarHBondContact O-SG 3.39Å |
| 368 | Q | 94.6 | Very high | 92.6 | Very high | 22 Ų | 22 | 33.6 Ų | 33.6 | 10% | 0.103 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -62.3 | -44.2 | 173.4 | -178.2 | -170.1 | 76.1 | 0 | 0 | 111.4 | L237 A238 A240 Q364 L365 Y366 W372 F413 Y417 | L237-Q368 PolarHBondContact O-NE2 3.15Å; A238-Q368 PolarHBondContact O-NE2 2.87Å; A240-Q368 PolarHBondContact O-NE2 3.47Å; Q364-Q368 VanDerWaalsContact O-CB 3.23Å; Q364-Q368 WeakPolarHBondContact O-CB 3.3Å; Q364-Q368 PolarHBondContact O-N 2.85Å; L365-Q368 PolarHBondContact O-N 2.96Å; Y366-Q368 VanDerWaalsContact C-N 3.34Å; Y366-Q368 PolarHBondContact O-N 3.44Å; Q368-W372 WeakPolarHBondContact O-CB 3.37Å; Q368-W372 PolarHBondContact O-N 2.84Å; Q368-W372 VanDerWaalsContact O-N 3.09Å; Q368-F413 HydrophobicContact CG-CE2 4.37Å; Q368-F413 HydrophobicContact CG-CZ 4.06Å; Q368-Y417 HydrophobicContact CG-CD2 4.26Å; Q368-Y417 HydrophobicContact CG-CE2 3.89Å |
| 369 | G | 94.3 | Very high | 93.6 | Very high | 30 Ų | 30 | 32 Ų | 32 | 31% | 0.309 | 17% | 0.166 | S | C | . | . | H | α-helix | trans | -63.3 | -49 | 176 | 0 | 0 | 0 | 0 | 0 | 112.5 | L365 Y366 C371 W372 Q373 | L365-G369 PolarHBondContact O-N 3.47Å; Y366-G369 PolarHBondContact O-N 3.25Å; G369-C371 PolarHBondContact O-N 3.04Å; G369-W372 PolarHBondContact O-N 3.15Å; G369-Q373 PolarHBondContact O-N 3.49Å |
| 370 | F | 96.6 | Very high | 94.1 | Very high | 4 Ų | 4 | 33.1 Ų | 33.1 | 2% | 0.018 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -58.1 | -46.8 | 175.4 | 179.8 | -96.1 | 0 | 0 | 0 | 111.9 | D202 L205 L206 I225 M228 Y366 W372 Q373 F374 | D202-F370 HydrophobicContact CB-CD2 3.78Å; D202-F370 HydrophobicContact CB-CE2 4.03Å; L205-F370 HydrophobicContact CB-CZ 4.47Å; L206-F370 HydrophobicContact CD1-CD2 4.23Å; L206-F370 HydrophobicContact CD1-CE2 4.26Å; L206-F370 HydrophobicContact CD2-CD2 4.41Å; L206-F370 HydrophobicContact CD2-CE2 4.03Å; L206-F370 HydrophobicContact CD2-CZ 4.44Å; L206-F370 HydrophobicContact CG-CD2 4.24Å; L206-F370 HydrophobicContact CG-CE2 3.8Å; I225-F370 HydrophobicContact CD1-CE1 4.34Å; I225-F370 HydrophobicContact CD1-CZ 3.99Å; I225-F370 HydrophobicContact CG1-CE1 4.1Å; I225-F370 HydrophobicContact CG1-CZ 3.94Å; I225-F370 HydrophobicContact CG2-CE1 4.19Å; M228-F370 HydrophobicContact CE-CE1 4.34Å; M228-F370 HydrophobicContact CE-CZ 4.38Å; Y366-F370 PolarHBondContact O-N 3.35Å; F370-W372 VanDerWaalsContact C-N 3.28Å; F370-W372 PolarHBondContact O-N 3.12Å; F370-Q373 PolarHBondContact O-N 3.3Å; F370-F374 WeakPolarHBondContact O-CB 3.49Å; F370-F374 PolarHBondContact O-N 2.9Å |
| 371 | C | 96.9 | Very high | 94.5 | Very high | 0 Ų | 0 | 32.1 Ų | 32.1 | 0% | 0 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -62 | -35 | 178.2 | -71.8 | 0 | 0 | 0 | 0 | 112.8 | L367 G369 L375 F410 F413 | L367-C371 VanDerWaalsContact O-CB 3.28Å; L367-C371 WeakPolarHBondContact O-CB 3.45Å; L367-C371 PolarHBondContact O-N 3.49Å; L367-C371 PolarHBondContact O-SG 3.39Å; G369-C371 PolarHBondContact O-N 3.04Å; C371-L375 WeakPolarHBondContact O-CB 3.35Å; C371-L375 WeakPolarHBondContact O-CG 3.37Å; C371-L375 PolarHBondContact O-N 2.99Å; C371-F410 HydrophobicContact CB-CE1 3.84Å; C371-F413 HydrophobicContact CB-CD1 4.1Å; C371-F413 HydrophobicContact CB-CD2 4.44Å; C371-F413 HydrophobicContact CB-CE1 3.68Å; C371-F413 HydrophobicContact CB-CE2 4.06Å; C371-F413 HydrophobicContact CB-CG 4.45Å; C371-F413 HydrophobicContact CB-CZ 3.66Å |
| 372 | W | 94.5 | Very high | 94.9 | Very high | 36 Ų | 36 | 28.3 Ų | 28.3 | 14% | 0.136 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -70.5 | -43 | 175.9 | 178.8 | -115.6 | 0 | 0 | 0 | 112.7 | Q368 G369 F370 L375 K376 Y417 R418 Y423 | Q368-W372 WeakPolarHBondContact O-CB 3.37Å; Q368-W372 PolarHBondContact O-N 2.84Å; Q368-W372 VanDerWaalsContact O-N 3.09Å; G369-W372 PolarHBondContact O-N 3.15Å; F370-W372 VanDerWaalsContact C-N 3.28Å; F370-W372 PolarHBondContact O-N 3.12Å; W372-L375 PolarHBondContact O-N 3.39Å; W372-K376 WeakPolarHBondContact O-CB 3.49Å; W372-K376 PolarHBondContact O-N 3.1Å; W372-Y417 HydrophobicContact CB-CD1 4.5Å; W372-Y417 HydrophobicContact CB-CE1 3.94Å; W372-Y417 HydrophobicContact CD2-CD1 4.23Å; W372-Y417 AromaticContact CD2-CE1 3.78Å; W372-Y417 HydrophobicContact CD2-CE1 3.78Å; W372-Y417 AromaticContact CE3-CD1 3.73Å; W372-Y417 HydrophobicContact CE3-CD1 3.73Å; W372-Y417 AromaticContact CE3-CE1 3.77Å; W372-Y417 HydrophobicContact CE3-CE1 3.77Å; W372-Y417 AromaticContact CG-CE1 3.86Å; W372-Y417 HydrophobicContact CG-CE1 3.86Å; W372-Y417 HydrophobicContact CZ3-CD1 4.32Å; W372-R418 HydrophobicContact CE3-CB 4.32Å; W372-R418 HydrophobicContact CH2-CB 3.49Å; W372-R418 VanDerWaalsContact CH2-CB 3.49Å; W372-R418 HydrophobicContact CH2-CG 4.29Å; W372-R418 HydrophobicContact CZ2-CB 4.27Å; W372-R418 HydrophobicContact CZ3-CB 3.54Å; W372-R418 HydrophobicContact CZ3-CG 4.44Å; W372-Y423 HydrophobicContact CH2-CD2 4.25Å; W372-Y423 AromaticContact CH2-CE2 3.65Å; W372-Y423 HydrophobicContact CH2-CE2 3.65Å; W372-Y423 HydrophobicContact CZ2-CE2 4.16Å; W372-Y423 HydrophobicContact CZ3-CD2 4.15Å; W372-Y423 HydrophobicContact CZ3-CE2 4Å |
| 373 | Q | 95.5 | Very high | 95.1 | Very high | 90 Ų | 90 | 26 Ų | 26 | 42% | 0.421 | 13% | 0.131 | S | C | . | . | H | α-helix | trans | -63.2 | -45.4 | 174.2 | -72 | 172.1 | -32.8 | 0 | 0 | 111.4 | L206 G369 F370 L375 K376 F377 | L206-Q373 HydrophobicContact CD1-CB 3.9Å; L206-Q373 HydrophobicContact CD2-CB 4.14Å; G369-Q373 PolarHBondContact O-N 3.49Å; F370-Q373 PolarHBondContact O-N 3.3Å; Q373-L375 VanDerWaalsContact C-N 3.34Å; Q373-L375 PolarHBondContact O-N 3.34Å; Q373-K376 PolarHBondContact O-N 3.26Å; Q373-F377 VanDerWaalsContact O-CD2 3.3Å; Q373-F377 WeakPolarHBondContact O-CD2 2.98Å; Q373-F377 PolarHBondContact O-N 3.1Å |
| 374 | F | 97.2 | Very high | 95.1 | Very high | 0 Ų | 0 | 32.1 Ų | 32.1 | 0% | 0 | 15% | 0.153 | C | C | . | . | I | π-helix | trans | -59.6 | -41.8 | 176.8 | -178.2 | -103.1 | 0 | 0 | 0 | 112.2 | L206 A209 I225 F370 C378 Y379 I382 T406 F410 | L206-F374 HydrophobicContact CD2-CB 3.87Å; L206-F374 HydrophobicContact CD2-CD2 4.33Å; A209-F374 HydrophobicContact CB-CD2 4.36Å; A209-F374 HydrophobicContact CB-CE2 3.92Å; I225-F374 HydrophobicContact CD1-CD2 3.7Å; I225-F374 HydrophobicContact CD1-CE2 3.38Å; I225-F374 HydrophobicContact CD1-CZ 4.08Å; I225-F374 HydrophobicContact CG2-CZ 4.4Å; F370-F374 WeakPolarHBondContact O-CB 3.49Å; F370-F374 PolarHBondContact O-N 2.9Å; F374-C378 HydrophobicContact CD2-CB 3.47Å; F374-C378 VanDerWaalsContact CD2-CB 3.47Å; F374-C378 HydrophobicContact CE2-CB 3.79Å; F374-C378 HydrophobicContact CG-CB 4.2Å; F374-C378 CarbonylContact O-C 3.51Å; F374-C378 WeakPolarHBondContact O-CA 3.32Å; F374-C378 WeakPolarHBondContact O-CB 3.5Å; F374-C378 PolarHBondContact O-N 3.49Å; F374-Y379 HydrophobicContact CD1-CD2 4.44Å; F374-Y379 AromaticContact CE1-CD2 3.87Å; F374-Y379 HydrophobicContact CE1-CD2 3.87Å; F374-Y379 PolarHBondContact O-N 3.11Å; F374-I382 HydrophobicContact CE2-CG2 4.12Å; F374-I382 HydrophobicContact CZ-CG2 3.79Å; F374-T406 HydrophobicContact CE1-CG2 4.34Å; F374-F410 HydrophobicContact CB-CE1 4.45Å; F374-F410 AromaticContact CD1-CD1 3.86Å; F374-F410 HydrophobicContact CD1-CD1 3.86Å; F374-F410 HydrophobicContact CD1-CD2 4.34Å; F374-F410 AromaticContact CD1-CE1 3.4Å; F374-F410 HydrophobicContact CD1-CE1 3.4Å; F374-F410 VanDerWaalsContact CD1-CE1 3.4Å; F374-F410 AromaticContact CD1-CE2 3.93Å; F374-F410 HydrophobicContact CD1-CE2 3.93Å; F374-F410 HydrophobicContact CD1-CG 4.29Å; F374-F410 AromaticContact CD1-CZ 3.42Å; F374-F410 HydrophobicContact CD1-CZ 3.42Å; F374-F410 VanDerWaalsContact CD1-CZ 3.42Å; F374-F410 HydrophobicContact CE1-CD1 4.3Å; F374-F410 AromaticContact CE1-CD2 3.99Å; F374-F410 HydrophobicContact CE1-CD2 3.99Å; F374-F410 HydrophobicContact CE1-CE1 4.01Å; F374-F410 AromaticContact CE1-CE2 3.68Å; F374-F410 HydrophobicContact CE1-CE2 3.68Å; F374-F410 HydrophobicContact CE1-CG 4.27Å; F374-F410 AromaticContact CE1-CZ 3.68Å; F374-F410 HydrophobicContact CE1-CZ 3.68Å; F374-F410 HydrophobicContact CG-CE1 4.3Å; F374-F410 HydrophobicContact CG-CZ 4.3Å |
| 375 | L | 96.3 | Very high | 95.2 | Very high | 1 Ų | 1 | 33.4 Ų | 33.4 | 1% | 0.005 | 16% | 0.161 | C | C | . | . | I | π-helix | trans | -63.9 | -47 | 172.5 | -85.4 | 170.7 | 0 | 0 | 0 | 112.8 | C371 W372 Q373 F377 Y379 F410 F413 C414 Y423 I424 | C371-L375 WeakPolarHBondContact O-CB 3.35Å; C371-L375 WeakPolarHBondContact O-CG 3.37Å; C371-L375 PolarHBondContact O-N 2.99Å; W372-L375 PolarHBondContact O-N 3.39Å; Q373-L375 VanDerWaalsContact C-N 3.34Å; Q373-L375 PolarHBondContact O-N 3.34Å; L375-F377 VanDerWaalsContact C-N 3.31Å; L375-F377 PolarHBondContact O-N 3.16Å; L375-Y379 HydrophobicContact CD2-CD2 4.26Å; L375-Y379 HydrophobicContact CD2-CG 4.1Å; L375-F410 HydrophobicContact CD1-CD1 4.39Å; L375-F410 HydrophobicContact CD2-CB 4.17Å; L375-F410 HydrophobicContact CD2-CD1 4.37Å; L375-F410 HydrophobicContact CG-CD1 4Å; L375-F413 HydrophobicContact CD1-CD1 3.66Å; L375-F413 HydrophobicContact CD1-CE1 4.15Å; L375-C414 HydrophobicContact CD1-CB 3.84Å; L375-C414 HydrophobicContact CD2-CB 4.4Å; L375-Y423 WeakPolarHBondContact O-CB 3.45Å; L375-I424 HydrophobicContact CD2-CG2 3.65Å |
| 376 | K | 93.4 | Very high | 95.2 | Very high | 84 Ų | 84 | 29.9 Ų | 29.9 | 37% | 0.365 | 14% | 0.143 | S | C | . | . | I | π-helix | trans | -66.1 | -31.4 | -173.9 | -176.8 | 166.4 | 178.9 | 169.4 | 0 | 113.2 | W372 Q373 Y423 | W372-K376 WeakPolarHBondContact O-CB 3.49Å; W372-K376 PolarHBondContact O-N 3.1Å; Q373-K376 PolarHBondContact O-N 3.26Å; K376-Y423 HydrophobicContact CB-CE2 4.2Å; K376-Y423 HydrophobicContact CG-CE1 4.16Å; K376-Y423 HydrophobicContact CG-CE2 4.29Å |
| 377 | F | 94.7 | Very high | 95.1 | Very high | 117 Ų | 117 | 30.8 Ų | 30.8 | 51% | 0.513 | 15% | 0.147 | S | C | . | . | I | π-helix | trans | -119.9 | -51.2 | -173.5 | -54 | -65.1 | 0 | 0 | 0 | 113.4 | N210 Q373 L375 P381 | N210-F377 PolarHBondContact OD1-O 3.29Å; Q373-F377 VanDerWaalsContact O-CD2 3.3Å; Q373-F377 WeakPolarHBondContact O-CD2 2.98Å; Q373-F377 PolarHBondContact O-N 3.1Å; L375-F377 VanDerWaalsContact C-N 3.31Å; L375-F377 PolarHBondContact O-N 3.16Å; F377-P381 WeakPolarHBondContact O-CD 3.32Å |
| 378 | C | 96.4 | Very high | 94.8 | Very high | 1 Ų | 1 | 32.9 Ų | 32.9 | 1% | 0.007 | 16% | 0.162 | C | C | . | . | I | π-helix | trans | -94 | -29.4 | -161.2 | -49.3 | 0 | 0 | 0 | 0 | 115.2 | L206 A209 F374 N380 P381 I382 | L206-C378 VanDerWaalsContact CD2-SG 3.57Å; L206-C378 PolarHBondContact O-SG 3.37Å; A209-C378 HydrophobicContact CB-CB 3.63Å; F374-C378 HydrophobicContact CD2-CB 3.47Å; F374-C378 VanDerWaalsContact CD2-CB 3.47Å; F374-C378 HydrophobicContact CE2-CB 3.79Å; F374-C378 HydrophobicContact CG-CB 4.2Å; F374-C378 CarbonylContact O-C 3.51Å; F374-C378 WeakPolarHBondContact O-CA 3.32Å; F374-C378 WeakPolarHBondContact O-CB 3.5Å; F374-C378 PolarHBondContact O-N 3.49Å; C378-N380 PolarHBondContact O-N 3Å; C378-P381 WeakPolarHBondContact O-CD 3.24Å; C378-I382 VanDerWaalsContact O-CG2 3.31Å; C378-I382 WeakPolarHBondContact O-CG2 3.4Å; C378-I382 PolarHBondContact O-N 3.39Å |
| 379 | Y | 96.9 | Very high | 94.5 | Very high | 0 Ų | 0 | 32.4 Ų | 32.4 | 0% | 0 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -62 | -50 | -166.6 | 179.5 | -88.6 | 0 | 0 | 0 | 113.3 | F374 L375 M383 T406 F410 Y423 I424 T427 | F374-Y379 HydrophobicContact CD1-CD2 4.44Å; F374-Y379 AromaticContact CE1-CD2 3.87Å; F374-Y379 HydrophobicContact CE1-CD2 3.87Å; F374-Y379 PolarHBondContact O-N 3.11Å; L375-Y379 HydrophobicContact CD2-CD2 4.26Å; L375-Y379 HydrophobicContact CD2-CG 4.1Å; Y379-M383 HydrophobicContact CD1-CG 4.26Å; Y379-M383 HydrophobicContact CD2-CG 4.01Å; Y379-M383 HydrophobicContact CE1-CG 4.12Å; Y379-M383 HydrophobicContact CE2-CE 4.27Å; Y379-M383 HydrophobicContact CE2-CG 3.86Å; Y379-M383 HydrophobicContact CE2-SD 4.39Å; Y379-M383 HydrophobicContact CG-CG 4.23Å; Y379-M383 VanDerWaalsContact O-CB 3.22Å; Y379-M383 WeakPolarHBondContact O-CB 3.5Å; Y379-M383 WeakPolarHBondContact O-CG 3.42Å; Y379-M383 PolarHBondContact O-N 3.36Å; Y379-T406 HydrophobicContact CE2-CG2 4.27Å; Y379-F410 HydrophobicContact CD2-CB 3.88Å; Y379-F410 HydrophobicContact CD2-CG 4.2Å; Y379-F410 HydrophobicContact CE2-CB 3.55Å; Y379-F410 HydrophobicContact CE2-CG 4.23Å; Y379-Y423 WeakPolarHBondContact CD1-O 3.38Å; Y379-I424 HydrophobicContact CD1-CG2 4.35Å; Y379-I424 HydrophobicContact CE1-CB 4.08Å; Y379-I424 HydrophobicContact CE1-CG2 4Å; Y379-T427 HydrophobicContact CE1-CG2 3.94Å; Y379-T427 VanDerWaalsContact CE1-OG1 3.29Å; Y379-T427 WeakPolarHBondContact CE1-OG1 3.47Å; Y379-T427 WeakPolarHBondContact OH-CB 3.27Å; Y379-T427 WeakPolarHBondContact OH-CG2 3.49Å; Y379-T427 PolarHBondContact OH-OG1 3.05Å |
| 380 | N | 95.7 | Very high | 94.3 | Very high | 26 Ų | 26 | 31.8 Ų | 31.8 | 14% | 0.139 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -64.7 | -46.7 | 179.8 | -66.5 | -47.2 | 0 | 0 | 0 | 112.2 | C378 R384 D422 S425 E426 | C378-N380 PolarHBondContact O-N 3Å; N380-R384 WeakPolarHBondContact O-CB 3.35Å; N380-R384 PolarHBondContact O-N 2.58Å; N380-R384 VanDerWaalsContact O-N 3.1Å; N380-D422 PolarHBondContact ND2-O 3.35Å; N380-S425 PolarHBondContact OD1-N 3.27Å; N380-E426 HydrophobicContact CB-CB 4.12Å; N380-E426 WeakPolarHBondContact OD1-CB 3.49Å; N380-E426 PolarHBondContact OD1-N 3.02Å |
| 381 | P | 95.1 | Very high | 93.7 | Very high | 33 Ų | 33 | 35.7 Ų | 35.7 | 21% | 0.214 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -53.6 | -56.9 | 171.8 | -28.6 | 34.6 | 0 | 0 | 0 | 114.3 | F377 C378 M383 R384 V385 | F377-P381 WeakPolarHBondContact O-CD 3.32Å; C378-P381 WeakPolarHBondContact O-CD 3.24Å; P381-M383 PolarHBondContact O-N 3.07Å; P381-R384 WeakPolarHBondContact O-CB 3.44Å; P381-R384 PolarHBondContact O-N 3.14Å; P381-V385 WeakPolarHBondContact O-CG2 3.26Å; P381-V385 PolarHBondContact O-N 3.19Å; P381-V385 VanDerWaalsContact O-N 3.11Å |
| 382 | I | 95.5 | Very high | 93.1 | Very high | 3 Ų | 3 | 45.2 Ų | 45.2 | 2% | 0.015 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -65.8 | -40 | -173.7 | -161.4 | 175.4 | 0 | 0 | 0 | 111.9 | A209 A218 T221 L222 F374 C378 R384 V385 V386 | A209-I382 HydrophobicContact CB-CD1 3.89Å; A218-I382 HydrophobicContact CB-CG1 4.1Å; T221-I382 HydrophobicContact CG2-CD1 4.15Å; L222-I382 HydrophobicContact CB-CD1 4.19Å; L222-I382 HydrophobicContact CD1-CD1 4.23Å; F374-I382 HydrophobicContact CE2-CG2 4.12Å; F374-I382 HydrophobicContact CZ-CG2 3.79Å; C378-I382 VanDerWaalsContact O-CG2 3.31Å; C378-I382 WeakPolarHBondContact O-CG2 3.4Å; C378-I382 PolarHBondContact O-N 3.39Å; I382-R384 PolarHBondContact O-N 3.34Å; I382-V385 PolarHBondContact O-N 2.97Å; I382-V386 HydrophobicContact CG1-CG2 4.38Å; I382-V386 WeakPolarHBondContact O-CB 3.34Å; I382-V386 WeakPolarHBondContact O-CG2 3.21Å; I382-V386 PolarHBondContact O-N 2.86Å |
| 383 | M | 95.2 | Very high | 92.1 | Very high | 0 Ų | 0 | 51.9 Ų | 51.9 | 0% | 0 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -68.7 | -34.5 | 179.9 | -64.7 | -64.3 | -83.9 | 0 | 0 | 111.7 | L222 Y379 P381 Q387 F403 T406 M407 T427 | L222-M383 HydrophobicContact CD1-SD 4.02Å; Y379-M383 HydrophobicContact CD1-CG 4.26Å; Y379-M383 HydrophobicContact CD2-CG 4.01Å; Y379-M383 HydrophobicContact CE1-CG 4.12Å; Y379-M383 HydrophobicContact CE2-CE 4.27Å; Y379-M383 HydrophobicContact CE2-CG 3.86Å; Y379-M383 HydrophobicContact CE2-SD 4.39Å; Y379-M383 HydrophobicContact CG-CG 4.23Å; Y379-M383 VanDerWaalsContact O-CB 3.22Å; Y379-M383 WeakPolarHBondContact O-CB 3.5Å; Y379-M383 WeakPolarHBondContact O-CG 3.42Å; Y379-M383 PolarHBondContact O-N 3.36Å; P381-M383 PolarHBondContact O-N 3.07Å; M383-Q387 WeakPolarHBondContact O-CB 3.25Å; M383-Q387 PolarHBondContact O-N 3.28Å; M383-F403 HydrophobicContact CB-CE2 4.1Å; M383-F403 HydrophobicContact CE-CD2 3.54Å; M383-F403 HydrophobicContact CE-CE1 4.43Å; M383-F403 HydrophobicContact CE-CE2 3.36Å; M383-F403 HydrophobicContact CE-CG 4.18Å; M383-F403 HydrophobicContact CE-CZ 3.85Å; M383-F403 HydrophobicContact SD-CD2 3.77Å; M383-F403 HydrophobicContact SD-CE2 3.81Å; M383-T406 HydrophobicContact CE-CG2 4.35Å; M383-T406 HydrophobicContact SD-CG2 3.91Å; M383-M407 HydrophobicContact CE-CB 3.77Å; M383-T427 HydrophobicContact CB-CG2 4.15Å; M383-T427 HydrophobicContact CE-CG2 3.65Å; M383-T427 HydrophobicContact CG-CG2 4.32Å |
| 384 | R | 94.2 | Very high | 90.6 | Very high | 134 Ų | 134 | 51.4 Ų | 51.4 | 51% | 0.506 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -62.2 | -48.6 | 171.9 | -175.1 | 177.7 | -59.8 | 147.2 | 4.8 | 111.8 | N380 P381 I382 S388 E426 | N380-R384 WeakPolarHBondContact O-CB 3.35Å; N380-R384 PolarHBondContact O-N 2.58Å; N380-R384 VanDerWaalsContact O-N 3.1Å; P381-R384 WeakPolarHBondContact O-CB 3.44Å; P381-R384 PolarHBondContact O-N 3.14Å; I382-R384 PolarHBondContact O-N 3.34Å; R384-S388 WeakPolarHBondContact O-CB 3.49Å; R384-S388 PolarHBondContact O-N 2.81Å; R384-E426 HydrophobicContact CB-CG 3.96Å; R384-E426 VanDerWaalsContact CB-OE1 3.3Å; R384-E426 WeakPolarHBondContact CB-OE1 3.28Å; R384-E426 WeakPolarHBondContact CG-OE1 3.23Å; R384-E426 IonicContact CZ-OE2 3.61Å; R384-E426 VanDerWaalsContact NE-CD 3.29Å; R384-E426 IonicContact NE-OE1 2.73Å; R384-E426 PolarHBondContact NE-OE1 2.89Å; R384-E426 VanDerWaalsContact NE-OE1 3.11Å; R384-E426 IonicContact NE-OE2 3.68Å; R384-E426 PolarHBondContact NE-OE2 3.24Å; R384-E426 IonicContact NH2-OE2 2.72Å; R384-E426 PolarHBondContact NH2-OE2 2.84Å |
| 385 | V | 93.2 | Very high | 89.3 | Confident | 27 Ų | 27 | 53.5 Ų | 53.5 | 16% | 0.164 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -61.1 | -51.8 | -179.2 | 173 | 0 | 0 | 0 | 0 | 110 | R215 A218 P381 I382 S388 G389 | R215-V385 HydrophobicContact CB-CG1 4Å; R215-V385 HydrophobicContact CG-CG1 4.13Å; R215-V385 HydrophobicContact CG-CG2 3.83Å; A218-V385 HydrophobicContact CB-CB 4.46Å; A218-V385 HydrophobicContact CB-CG1 3.79Å; P381-V385 WeakPolarHBondContact O-CG2 3.26Å; P381-V385 PolarHBondContact O-N 3.19Å; P381-V385 VanDerWaalsContact O-N 3.11Å; I382-V385 PolarHBondContact O-N 2.97Å; V385-S388 PolarHBondContact O-N 3.2Å; V385-S388 PolarHBondContact O-OG 2.9Å; V385-G389 PolarHBondContact O-N 3.04Å |
| 386 | V | 93.1 | Very high | 88.1 | Confident | 0 Ų | 0 | 59.4 Ų | 59.4 | 0% | 0 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -62.6 | -45.8 | -179.9 | 169.7 | 0 | 0 | 0 | 0 | 111.7 | A218 F219 L222 I382 S388 G389 L390 F403 | A218-V386 HydrophobicContact CB-CG2 4.15Å; F219-V386 HydrophobicContact CD1-CG1 4.31Å; F219-V386 HydrophobicContact CD1-CG2 4.49Å; F219-V386 HydrophobicContact CD2-CG2 4.4Å; F219-V386 HydrophobicContact CE1-CB 4.38Å; F219-V386 HydrophobicContact CE1-CG1 3.67Å; F219-V386 HydrophobicContact CE1-CG2 4.36Å; F219-V386 HydrophobicContact CE2-CG2 4.25Å; F219-V386 HydrophobicContact CZ-CB 4.16Å; F219-V386 HydrophobicContact CZ-CG1 3.88Å; F219-V386 HydrophobicContact CZ-CG2 4.21Å; L222-V386 HydrophobicContact CD2-CG1 4Å; L222-V386 HydrophobicContact CD2-CG2 4.19Å; I382-V386 HydrophobicContact CG1-CG2 4.38Å; I382-V386 WeakPolarHBondContact O-CB 3.34Å; I382-V386 WeakPolarHBondContact O-CG2 3.21Å; I382-V386 PolarHBondContact O-N 2.86Å; V386-S388 VanDerWaalsContact C-N 3.3Å; V386-S388 PolarHBondContact O-N 3.33Å; V386-G389 PolarHBondContact O-N 3.35Å; V386-G389 VanDerWaalsContact O-N 3.13Å; V386-L390 HydrophobicContact CG1-CD1 3.85Å; V386-L390 HydrophobicContact CG1-CG 4.3Å; V386-L390 WeakPolarHBondContact O-CG 3.32Å; V386-L390 PolarHBondContact O-N 3.34Å; V386-F403 HydrophobicContact CB-CD2 4.19Å; V386-F403 HydrophobicContact CG1-CB 4.02Å; V386-F403 HydrophobicContact CG1-CD2 3.58Å; V386-F403 HydrophobicContact CG1-CE2 4.48Å; V386-F403 HydrophobicContact CG1-CG 4.17Å |
| 387 | Q | 91.6 | Very high | 86.9 | Confident | 39 Ų | 39 | 62.5 Ų | 62.5 | 18% | 0.182 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -62.4 | -37.6 | 177.5 | -176 | -102.3 | 16.9 | 0 | 0 | 112.2 | M383 G389 T391 F403 I432 | M383-Q387 WeakPolarHBondContact O-CB 3.25Å; M383-Q387 PolarHBondContact O-N 3.28Å; Q387-G389 VanDerWaalsContact C-N 3.34Å; Q387-G389 PolarHBondContact O-N 2.93Å; Q387-T391 VanDerWaalsContact O-CB 3.32Å; Q387-T391 WeakPolarHBondContact O-CB 3.35Å; Q387-T391 PolarHBondContact O-N 2.7Å; Q387-T391 PolarHBondContact O-OG1 2.98Å; Q387-F403 HydrophobicContact CB-CE2 3.83Å; Q387-F403 HydrophobicContact CB-CZ 3.9Å; Q387-F403 HydrophobicContact CG-CZ 4.23Å; Q387-I432 HydrophobicContact CB-CD1 4.43Å; Q387-I432 HydrophobicContact CG-CD1 3.56Å |
| 388 | S | 90.2 | Very high | 86.2 | Confident | 44 Ų | 44 | 59.8 Ų | 59.8 | 31% | 0.308 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -66 | -35.9 | 174.9 | 82.5 | 0 | 0 | 0 | 0 | 112.5 | R384 V385 V386 R392 | R384-S388 WeakPolarHBondContact O-CB 3.49Å; R384-S388 PolarHBondContact O-N 2.81Å; V385-S388 PolarHBondContact O-N 3.2Å; V385-S388 PolarHBondContact O-OG 2.9Å; V386-S388 VanDerWaalsContact C-N 3.3Å; V386-S388 PolarHBondContact O-N 3.33Å; S388-R392 WeakPolarHBondContact O-CB 3.38Å; S388-R392 WeakPolarHBondContact O-CD 3.29Å; S388-R392 WeakPolarHBondContact O-CG 3.34Å; S388-R392 PolarHBondContact O-N 3.08Å |
| 389 | G | 88.5 | Confident | 85.5 | Confident | 12 Ų | 12 | 60.4 Ų | 60.4 | 12% | 0.124 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -67.2 | -49.2 | 174.6 | 0 | 0 | 0 | 0 | 0 | 112.6 | V385 V386 Q387 T391 R392 Q393 A394 | V385-G389 PolarHBondContact O-N 3.04Å; V386-G389 PolarHBondContact O-N 3.35Å; V386-G389 VanDerWaalsContact O-N 3.13Å; Q387-G389 VanDerWaalsContact C-N 3.34Å; Q387-G389 PolarHBondContact O-N 2.93Å; G389-T391 VanDerWaalsContact C-N 3.35Å; G389-T391 PolarHBondContact O-N 3.27Å; G389-R392 CarbonylContact O-C 3.53Å; G389-R392 PolarHBondContact O-N 3.5Å; G389-R392 VanDerWaalsContact O-N 3.12Å; G389-Q393 PolarHBondContact O-N 2.85Å; G389-Q393 VanDerWaalsContact O-N 3.16Å; G389-A394 PolarHBondContact O-N 2.98Å; G389-A394 VanDerWaalsContact O-N 3.12Å |
| 390 | L | 89 | Confident | 85.2 | Confident | 17 Ų | 17 | 61.5 Ų | 61.5 | 9% | 0.089 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -58.8 | -44.2 | 176.6 | -70.5 | 171.1 | 0 | 0 | 0 | 111.8 | F219 V386 R392 Q393 T395 D399 E400 F403 W435 | F219-L390 HydrophobicContact CE1-CD2 4.3Å; F219-L390 HydrophobicContact CE1-CG 4.26Å; F219-L390 HydrophobicContact CZ-CG 4.47Å; V386-L390 HydrophobicContact CG1-CD1 3.85Å; V386-L390 HydrophobicContact CG1-CG 4.3Å; V386-L390 WeakPolarHBondContact O-CG 3.32Å; V386-L390 PolarHBondContact O-N 3.34Å; L390-R392 PolarHBondContact O-N 2.92Å; L390-Q393 PolarHBondContact O-N 3.01Å; L390-Q393 VanDerWaalsContact O-N 3.08Å; L390-T395 HydrophobicContact CD2-CG2 3.99Å; L390-T395 HydrophobicContact CG-CG2 4.35Å; L390-D399 HydrophobicContact CD2-CB 4.14Å; L390-E400 HydrophobicContact CD1-CB 4.36Å; L390-E400 HydrophobicContact CD2-CB 3.76Å; L390-F403 HydrophobicContact CD1-CB 3.64Å; L390-F403 HydrophobicContact CD1-CD1 4.2Å; L390-F403 HydrophobicContact CD1-CD2 4.26Å; L390-F403 HydrophobicContact CD1-CG 3.78Å; L390-W435 HydrophobicContact CB-CZ2 4.48Å; L390-W435 HydrophobicContact CD1-CH2 4.31Å; L390-W435 HydrophobicContact CD1-CZ2 4.08Å |
| 391 | T | 84.8 | Confident | 85.1 | Confident | 85 Ų | 85 | 61.6 Ų | 61.6 | 52% | 0.521 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -65 | -29.7 | 178.1 | -54.1 | 0 | 0 | 0 | 0 | 112.1 | Q387 G389 Q393 | Q387-T391 VanDerWaalsContact O-CB 3.32Å; Q387-T391 WeakPolarHBondContact O-CB 3.35Å; Q387-T391 PolarHBondContact O-N 2.7Å; Q387-T391 PolarHBondContact O-OG1 2.98Å; G389-T391 VanDerWaalsContact C-N 3.35Å; G389-T391 PolarHBondContact O-N 3.27Å; T391-Q393 VanDerWaalsContact C-N 3.33Å |
| 392 | R | 84.6 | Confident | 85 | Confident | 200 Ų | 200 | 61.9 Ų | 61.9 | 76% | 0.755 | 31% | 0.311 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85.1 | -1 | 175.2 | -70.4 | 170.9 | -178.1 | -172.5 | 1.6 | 114 | S388 G389 L390 A394 | S388-R392 WeakPolarHBondContact O-CB 3.38Å; S388-R392 WeakPolarHBondContact O-CD 3.29Å; S388-R392 WeakPolarHBondContact O-CG 3.34Å; S388-R392 PolarHBondContact O-N 3.08Å; G389-R392 CarbonylContact O-C 3.53Å; G389-R392 PolarHBondContact O-N 3.5Å; G389-R392 VanDerWaalsContact O-N 3.12Å; L390-R392 PolarHBondContact O-N 2.92Å; R392-A394 HydrophobicContact CB-CB 4.31Å; R392-A394 PolarHBondContact O-N 3.43Å |
| 393 | Q | 73.6 | Confident | 85 | Confident | 176 Ų | 176 | 61.8 Ų | 61.8 | 82% | 0.822 | 31% | 0.311 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 54.3 | 30.7 | -173.4 | -57.4 | -177.5 | -11.1 | 0 | 0 | 113.3 | G389 L390 T391 T395 | G389-Q393 PolarHBondContact O-N 2.85Å; G389-Q393 VanDerWaalsContact O-N 3.16Å; L390-Q393 PolarHBondContact O-N 3.01Å; L390-Q393 VanDerWaalsContact O-N 3.08Å; T391-Q393 VanDerWaalsContact C-N 3.33Å; Q393-T395 PolarHBondContact O-N 3.25Å |
| 394 | A | 63.5 | Low | 85 | Confident | 81 Ų | 81 | 61.8 Ų | 61.8 | 67% | 0.669 | 31% | 0.311 | S | S | * | . | trans | -91.6 | 30.1 | -176.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | G389 R392 | G389-A394 PolarHBondContact O-N 2.98Å; G389-A394 VanDerWaalsContact O-N 3.12Å; R392-A394 HydrophobicContact CB-CB 4.31Å; R392-A394 PolarHBondContact O-N 3.43Å | ||
| 395 | T | 69.8 | Low | 85.1 | Confident | 43 Ų | 43 | 57.5 Ų | 57.5 | 26% | 0.264 | 29% | 0.294 | S | S | . | . | S | Bend | trans | -134.2 | 160.6 | -160.5 | 55.4 | 0 | 0 | 0 | 0 | 111.5 | F219 L390 Q393 D399 | F219-T395 HydrophobicContact CD1-CG2 4.47Å; F219-T395 HydrophobicContact CE1-CG2 3.51Å; F219-T395 HydrophobicContact CE2-CG2 4.11Å; F219-T395 HydrophobicContact CZ-CG2 3.31Å; L390-T395 HydrophobicContact CD2-CG2 3.99Å; L390-T395 HydrophobicContact CG-CG2 4.35Å; Q393-T395 PolarHBondContact O-N 3.25Å; T395-D399 WeakPolarHBondContact CB-OD2 3.32Å |
| 396 | Q | 71.1 | Confident | 85.3 | Confident | 126 Ų | 126 | 56.2 Ų | 56.2 | 59% | 0.589 | 29% | 0.287 | S | S | * | . | trans | -76.7 | 166.3 | 175.7 | -48.3 | -171.3 | 25.1 | 0 | 0 | 110.9 | D399 | Q396-D399 PolarHBondContact N-OD2 3.01Š| ||
| 397 | E | 67.6 | Low | 85.4 | Confident | 148 Ų | 148 | 56.3 Ų | 56.3 | 69% | 0.692 | 29% | 0.287 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.7 | 136 | 171.9 | -62.7 | -172.9 | 177.2 | 0 | 0 | 110.2 | ||
| 398 | N | 80.1 | Confident | 85.6 | Confident | 60 Ų | 60 | 57.9 Ų | 57.9 | 32% | 0.321 | 29% | 0.291 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 83 | -9 | -176.7 | -44.9 | -89.9 | 0 | 0 | 0 | 115.9 | E400 T401 R466 | N398-E400 WeakPolarHBondContact CA-OE2 3.5Å; N398-E400 PolarHBondContact N-OE2 2.91Å; N398-E400 PolarHBondContact O-N 3.19Å; N398-E400 VanDerWaalsContact O-N 3.13Å; N398-T401 WeakPolarHBondContact O-CB 3.48Å; N398-T401 PolarHBondContact O-N 2.88Å; N398-T401 PolarHBondContact O-OG1 2.69Å; N398-R466 PolarHBondContact OD1-NH2 3.29Å |
| 399 | D | 83.2 | Confident | 85.9 | Confident | 14 Ų | 14 | 55.9 Ų | 55.9 | 8% | 0.075 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -54.7 | -33.1 | 176.5 | -71.3 | 3.3 | 0 | 0 | 0 | 112.4 | F219 L390 T395 Q396 T401 Y402 F403 | F219-D399 HydrophobicContact CD1-CB 3.97Å; F219-D399 HydrophobicContact CE1-CB 4.02Å; L390-D399 HydrophobicContact CD2-CB 4.14Å; T395-D399 WeakPolarHBondContact CB-OD2 3.32Å; Q396-D399 PolarHBondContact N-OD2 3.01Å; D399-T401 PolarHBondContact O-N 2.71Å; D399-Y402 PolarHBondContact O-N 3.11Å; D399-F403 PolarHBondContact O-N 2.8Å |
| 400 | E | 90.4 | Very high | 86.4 | Confident | 23 Ų | 23 | 55.3 Ų | 55.3 | 11% | 0.107 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -66.9 | -22.8 | 179.6 | 85.5 | -75.5 | -171.8 | 0 | 0 | 112.7 | L390 N398 L404 W435 Y443 R466 | L390-E400 HydrophobicContact CD1-CB 4.36Å; L390-E400 HydrophobicContact CD2-CB 3.76Å; N398-E400 WeakPolarHBondContact CA-OE2 3.5Å; N398-E400 PolarHBondContact N-OE2 2.91Å; N398-E400 PolarHBondContact O-N 3.19Å; N398-E400 VanDerWaalsContact O-N 3.13Å; E400-L404 VanDerWaalsContact O-CG 3.32Å; E400-L404 WeakPolarHBondContact O-CG 3.39Å; E400-L404 PolarHBondContact O-N 3.31Å; E400-L404 VanDerWaalsContact O-N 3.07Å; E400-W435 HydrophobicContact CB-CH2 4.5Å; E400-W435 HydrophobicContact CB-CZ2 4.49Å; E400-Y443 WeakPolarHBondContact CG-OH 3.33Å; E400-Y443 PolarHBondContact OE1-OH 2.89Å; E400-R466 WeakPolarHBondContact OE1-CD 3.47Å; E400-R466 IonicContact OE1-CZ 3.66Å; E400-R466 VanDerWaalsContact OE1-CZ 3.24Å; E400-R466 IonicContact OE1-NE 3.6Å; E400-R466 PolarHBondContact OE1-NE 3.12Å; E400-R466 IonicContact OE1-NH1 3.93Å; E400-R466 PolarHBondContact OE1-NH1 3.49Å |
| 401 | T | 92.6 | Very high | 86.7 | Confident | 29 Ų | 29 | 54.5 Ų | 54.5 | 18% | 0.178 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -73.9 | -34.5 | 178 | 71 | 0 | 0 | 0 | 0 | 111.9 | N398 D399 L404 W405 R466 L469 | N398-T401 WeakPolarHBondContact O-CB 3.48Å; N398-T401 PolarHBondContact O-N 2.88Å; N398-T401 PolarHBondContact O-OG1 2.69Å; D399-T401 PolarHBondContact O-N 2.71Å; T401-L404 PolarHBondContact O-N 2.64Å; T401-W405 VanDerWaalsContact O-CB 3.3Å; T401-W405 WeakPolarHBondContact O-CB 3.48Å; T401-W405 PolarHBondContact O-N 3.4Å; T401-R466 HydrophobicContact CG2-CG 3.79Å; T401-L469 VanDerWaalsContact O-CD2 3.27Å; T401-L469 WeakPolarHBondContact O-CD2 3.13Å |
| 402 | Y | 93.6 | Very high | 87.2 | Confident | 39 Ų | 39 | 50.6 Ų | 50.6 | 15% | 0.153 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -70.1 | -37.4 | 174.3 | -62.7 | -66.6 | 0 | 0 | 0 | 111.8 | E223 S226 D399 W405 T406 | E223-Y402 HydrophobicContact CG-CD1 4.48Å; E223-Y402 HydrophobicContact CG-CD2 3.67Å; E223-Y402 HydrophobicContact CG-CE1 4.4Å; E223-Y402 HydrophobicContact CG-CE2 3.55Å; E223-Y402 HydrophobicContact CG-CG 4.1Å; E223-Y402 VanDerWaalsContact OE2-CE2 3.24Å; E223-Y402 WeakPolarHBondContact OE2-CE2 3.43Å; E223-Y402 VanDerWaalsContact OE2-CZ 3.31Å; E223-Y402 PolarHBondContact OE2-OH 3.16Å; S226-Y402 VanDerWaalsContact OG-CD1 3.24Å; S226-Y402 WeakPolarHBondContact OG-CD1 3.37Å; D399-Y402 PolarHBondContact O-N 3.11Å; Y402-W405 PolarHBondContact O-N 3.15Å; Y402-T406 WeakPolarHBondContact O-CB 3.33Å; Y402-T406 PolarHBondContact O-N 2.9Å; Y402-T406 PolarHBondContact O-OG1 3.1Å; Y402-T406 VanDerWaalsContact O-OG1 3.05Å |
| 403 | F | 95.2 | Very high | 87.8 | Confident | 1 Ų | 1 | 41.1 Ų | 41.1 | 0% | 0.004 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -61.1 | -49.5 | 171.8 | 179.8 | -93.7 | 0 | 0 | 0 | 112.1 | L222 M383 V386 Q387 L390 D399 W405 T406 M407 T427 I432 W435 | L222-F403 HydrophobicContact CD2-CB 4.43Å; M383-F403 HydrophobicContact CB-CE2 4.1Å; M383-F403 HydrophobicContact CE-CD2 3.54Å; M383-F403 HydrophobicContact CE-CE1 4.43Å; M383-F403 HydrophobicContact CE-CE2 3.36Å; M383-F403 HydrophobicContact CE-CG 4.18Å; M383-F403 HydrophobicContact CE-CZ 3.85Å; M383-F403 HydrophobicContact SD-CD2 3.77Å; M383-F403 HydrophobicContact SD-CE2 3.81Å; V386-F403 HydrophobicContact CB-CD2 4.19Å; V386-F403 HydrophobicContact CG1-CB 4.02Å; V386-F403 HydrophobicContact CG1-CD2 3.58Å; V386-F403 HydrophobicContact CG1-CE2 4.48Å; V386-F403 HydrophobicContact CG1-CG 4.17Å; Q387-F403 HydrophobicContact CB-CE2 3.83Å; Q387-F403 HydrophobicContact CB-CZ 3.9Å; Q387-F403 HydrophobicContact CG-CZ 4.23Å; L390-F403 HydrophobicContact CD1-CB 3.64Å; L390-F403 HydrophobicContact CD1-CD1 4.2Å; L390-F403 HydrophobicContact CD1-CD2 4.26Å; L390-F403 HydrophobicContact CD1-CG 3.78Å; D399-F403 PolarHBondContact O-N 2.8Å; F403-W405 PolarHBondContact O-N 2.87Å; F403-T406 PolarHBondContact O-N 3.43Å; F403-M407 WeakPolarHBondContact O-CB 3.47Å; F403-M407 PolarHBondContact O-N 3.31Å; F403-T427 HydrophobicContact CZ-CG2 4.4Å; F403-I432 HydrophobicContact CZ-CD1 4.33Å; F403-W435 HydrophobicContact CD1-CE3 4.45Å; F403-W435 AromaticContact CD1-CH2 3.56Å; F403-W435 HydrophobicContact CD1-CH2 3.56Å; F403-W435 AromaticContact CD1-CZ3 3.51Å; F403-W435 HydrophobicContact CD1-CZ3 3.51Å; F403-W435 HydrophobicContact CE1-CE3 4.05Å; F403-W435 AromaticContact CE1-CH2 3.96Å; F403-W435 HydrophobicContact CE1-CH2 3.96Å; F403-W435 AromaticContact CE1-CZ3 3.52Å; F403-W435 HydrophobicContact CE1-CZ3 3.52Å |
| 404 | L | 96 | Very high | 88.8 | Confident | 0 Ų | 0 | 32.7 Ų | 32.7 | 0% | 0 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -60.4 | -44 | 176.1 | -73.1 | 168.1 | 0 | 0 | 0 | 111.6 | E400 T401 M407 R408 W435 I436 Y443 L469 A470 C473 | E400-L404 VanDerWaalsContact O-CG 3.32Å; E400-L404 WeakPolarHBondContact O-CG 3.39Å; E400-L404 PolarHBondContact O-N 3.31Å; E400-L404 VanDerWaalsContact O-N 3.07Å; T401-L404 PolarHBondContact O-N 2.64Å; L404-M407 PolarHBondContact O-N 3.4Å; L404-R408 PolarHBondContact O-N 2.64Å; L404-W435 HydrophobicContact CD2-CH2 4.24Å; L404-W435 HydrophobicContact CD2-CZ3 3.67Å; L404-W435 HydrophobicContact CG-CH2 4.18Å; L404-W435 HydrophobicContact CG-CZ3 4.1Å; L404-I436 HydrophobicContact CD2-CG1 4.49Å; L404-Y443 HydrophobicContact CD1-CE2 4.18Å; L404-L469 HydrophobicContact CB-CD2 3.78Å; L404-L469 HydrophobicContact CB-CG 3.92Å; L404-A470 HydrophobicContact CD1-CB 4.17Å; L404-A470 HydrophobicContact CD2-CB 4.5Å; L404-C473 HydrophobicContact CD2-CB 4.14Å; L404-C473 PolarHBondContact O-SG 2.88Å |
| 405 | W | 95.9 | Very high | 90.2 | Very high | 44 Ų | 44 | 30.8 Ų | 30.8 | 17% | 0.167 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -60.6 | -50.3 | 177.8 | -172.2 | 100.4 | 0 | 0 | 0 | 111.8 | S226 L229 T401 Y402 F403 M407 R408 F409 L469 | S226-W405 VanDerWaalsContact CB-CE3 3.49Å; L229-W405 HydrophobicContact CB-CH2 3.59Å; L229-W405 HydrophobicContact CB-CZ3 4.29Å; T401-W405 VanDerWaalsContact O-CB 3.3Å; T401-W405 WeakPolarHBondContact O-CB 3.48Å; T401-W405 PolarHBondContact O-N 3.4Å; Y402-W405 PolarHBondContact O-N 3.15Å; F403-W405 PolarHBondContact O-N 2.87Å; W405-M407 PolarHBondContact O-N 3.1Å; W405-R408 PolarHBondContact O-N 3.17Å; W405-F409 HydrophobicContact CD2-CB 4.47Å; W405-F409 HydrophobicContact CE3-CB 4.03Å; W405-F409 HydrophobicContact CH2-CB 3.68Å; W405-F409 HydrophobicContact CH2-CD1 4.03Å; W405-F409 AromaticContact CH2-CD2 3.21Å; W405-F409 HydrophobicContact CH2-CD2 3.21Å; W405-F409 AromaticContact CH2-CE2 3.76Å; W405-F409 HydrophobicContact CH2-CE2 3.76Å; W405-F409 AromaticContact CH2-CG 3.36Å; W405-F409 HydrophobicContact CH2-CG 3.36Å; W405-F409 HydrophobicContact CH2-CZ 4.37Å; W405-F409 HydrophobicContact CZ2-CB 4.21Å; W405-F409 AromaticContact CZ2-CD2 3.47Å; W405-F409 HydrophobicContact CZ2-CD2 3.47Å; W405-F409 VanDerWaalsContact CZ2-CD2 3.47Å; W405-F409 HydrophobicContact CZ2-CE2 4.05Å; W405-F409 HydrophobicContact CZ2-CG 4.02Å; W405-F409 HydrophobicContact CZ3-CB 3.6Å; W405-F409 HydrophobicContact CZ3-CD1 4.26Å; W405-F409 HydrophobicContact CZ3-CD2 4.04Å; W405-F409 AromaticContact CZ3-CG 3.71Å; W405-F409 HydrophobicContact CZ3-CG 3.71Å; W405-F409 WeakPolarHBondContact O-CB 3.49Å; W405-F409 PolarHBondContact O-N 3.04Å; W405-L469 HydrophobicContact CB-CD1 4.36Å; W405-L469 HydrophobicContact CB-CD2 4.23Å |
| 406 | T | 96.8 | Very high | 91.1 | Very high | 0 Ų | 0 | 31.3 Ų | 31.3 | 0% | 0 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -62.2 | -45.4 | 179.8 | -63.4 | 0 | 0 | 0 | 0 | 110.8 | L222 F374 Y379 M383 Y402 F403 R408 F409 F410 | L222-T406 HydrophobicContact CD1-CG2 3.68Å; F374-T406 HydrophobicContact CE1-CG2 4.34Å; Y379-T406 HydrophobicContact CE2-CG2 4.27Å; M383-T406 HydrophobicContact CE-CG2 4.35Å; M383-T406 HydrophobicContact SD-CG2 3.91Å; Y402-T406 WeakPolarHBondContact O-CB 3.33Å; Y402-T406 PolarHBondContact O-N 2.9Å; Y402-T406 PolarHBondContact O-OG1 3.1Å; Y402-T406 VanDerWaalsContact O-OG1 3.05Å; F403-T406 PolarHBondContact O-N 3.43Å; T406-R408 PolarHBondContact O-N 3.34Å; T406-F409 PolarHBondContact O-N 3.1Å; T406-F410 HydrophobicContact CG2-CD2 3.49Å; T406-F410 VanDerWaalsContact CG2-CD2 3.49Å; T406-F410 HydrophobicContact CG2-CE2 3.85Å; T406-F410 WeakPolarHBondContact O-CD2 3.39Å; T406-F410 PolarHBondContact O-N 3.29Å |
| 407 | M | 96 | Very high | 92 | Very high | 1 Ų | 1 | 27.2 Ų | 27.2 | 1% | 0.005 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -54.7 | -51.8 | 175.2 | -178.9 | -174.8 | 173.6 | 0 | 0 | 111.1 | M383 F403 L404 W405 F409 M411 T427 I432 I436 C473 F477 | M383-M407 HydrophobicContact CE-CB 3.77Å; F403-M407 WeakPolarHBondContact O-CB 3.47Å; F403-M407 PolarHBondContact O-N 3.31Å; L404-M407 PolarHBondContact O-N 3.4Å; W405-M407 PolarHBondContact O-N 3.1Å; M407-F409 PolarHBondContact O-N 3.27Å; M407-M411 HydrophobicContact CE-CE 4.16Å; M407-M411 HydrophobicContact CE-SD 3.32Å; M407-M411 WeakPolarHBondContact CE-SD 3.32Å; M407-M411 HydrophobicContact CG-CG 4.4Å; M407-M411 HydrophobicContact CG-SD 3.52Å; M407-M411 VanDerWaalsContact CG-SD 3.52Å; M407-M411 WeakPolarHBondContact O-CB 3.4Å; M407-M411 WeakPolarHBondContact O-CG 3.42Å; M407-M411 PolarHBondContact O-N 2.98Å; M407-M411 VanDerWaalsContact O-N 3.11Å; M407-M411 HydrophobicContact SD-SD 4.33Å; M407-T427 HydrophobicContact CG-CG2 4.08Å; M407-T427 HydrophobicContact SD-CG2 4.46Å; M407-I432 HydrophobicContact CE-CG2 4.06Å; M407-I432 HydrophobicContact SD-CG2 4.11Å; M407-I436 HydrophobicContact CE-CD1 3.47Å; M407-I436 VanDerWaalsContact CE-CD1 3.47Å; M407-I436 HydrophobicContact SD-CD1 3.58Å; M407-I436 VanDerWaalsContact SD-CD1 3.58Å; M407-I436 HydrophobicContact SD-CG1 4.4Å; M407-C473 HydrophobicContact SD-CB 4.42Å; M407-F477 HydrophobicContact CE-CB 4.23Å; M407-F477 HydrophobicContact CE-CD2 3.76Å; M407-F477 HydrophobicContact CE-CG 4.5Å |
| 408 | R | 96 | Very high | 92.9 | Very high | 73 Ų | 73 | 24.2 Ų | 24.2 | 28% | 0.275 | 11% | 0.108 | S | C | . | . | H | α-helix | trans | -60.3 | -47.2 | 179.9 | -168.3 | -167 | 73.3 | 129.2 | 4.8 | 111.6 | L404 W405 T406 A412 A472 E476 | L404-R408 PolarHBondContact O-N 2.64Å; W405-R408 PolarHBondContact O-N 3.17Å; T406-R408 PolarHBondContact O-N 3.34Å; R408-A412 VanDerWaalsContact O-CB 3.24Å; R408-A412 WeakPolarHBondContact O-CB 3.33Å; R408-A412 PolarHBondContact O-N 2.94Å; R408-A412 VanDerWaalsContact O-N 3.17Å; R408-A472 VanDerWaalsContact CD-CB 3.45Å; R408-A472 HydrophobicContact CG-CB 4.39Å; R408-E476 HydrophobicContact CG-CB 4.32Å |
| 409 | F | 96.5 | Very high | 93.3 | Very high | 1 Ų | 1 | 22 Ų | 22 | 0% | 0.004 | 10% | 0.096 | C | C | . | . | H | α-helix | trans | -65.6 | -51.6 | -174.5 | -171.2 | -85.5 | 0 | 0 | 0 | 112 | L229 Q232 P234 L237 W405 T406 M407 A412 F413 | L229-F409 HydrophobicContact CB-CE1 4.22Å; L229-F409 HydrophobicContact CB-CE2 4.31Å; L229-F409 HydrophobicContact CB-CZ 3.95Å; L229-F409 HydrophobicContact CD1-CD1 4.26Å; L229-F409 HydrophobicContact CD1-CE1 3.84Å; L229-F409 HydrophobicContact CD1-CZ 4.39Å; L229-F409 HydrophobicContact CD2-CE1 4.21Å; L229-F409 HydrophobicContact CD2-CZ 4.13Å; L229-F409 HydrophobicContact CG-CE1 4.32Å; L229-F409 HydrophobicContact CG-CZ 4.39Å; Q232-F409 HydrophobicContact CB-CE2 4.49Å; Q232-F409 HydrophobicContact CB-CZ 4.46Å; P234-F409 HydrophobicContact CB-CD1 4.42Å; P234-F409 HydrophobicContact CB-CD2 4.25Å; P234-F409 HydrophobicContact CB-CE1 4.33Å; P234-F409 HydrophobicContact CB-CE2 4.19Å; P234-F409 HydrophobicContact CB-CG 4.38Å; P234-F409 HydrophobicContact CB-CZ 4.23Å; P234-F409 WeakPolarHBondContact CB-O 3.24Å; P234-F409 HydrophobicContact CG-CD2 4.17Å; P234-F409 HydrophobicContact CG-CE2 4.37Å; L237-F409 HydrophobicContact CD1-CE1 4.46Å; L237-F409 HydrophobicContact CD1-CZ 3.93Å; W405-F409 HydrophobicContact CD2-CB 4.47Å; W405-F409 HydrophobicContact CE3-CB 4.03Å; W405-F409 HydrophobicContact CH2-CB 3.68Å; W405-F409 HydrophobicContact CH2-CD1 4.03Å; W405-F409 AromaticContact CH2-CD2 3.21Å; W405-F409 HydrophobicContact CH2-CD2 3.21Å; W405-F409 AromaticContact CH2-CE2 3.76Å; W405-F409 HydrophobicContact CH2-CE2 3.76Å; W405-F409 AromaticContact CH2-CG 3.36Å; W405-F409 HydrophobicContact CH2-CG 3.36Å; W405-F409 HydrophobicContact CH2-CZ 4.37Å; W405-F409 HydrophobicContact CZ2-CB 4.21Å; W405-F409 AromaticContact CZ2-CD2 3.47Å; W405-F409 HydrophobicContact CZ2-CD2 3.47Å; W405-F409 VanDerWaalsContact CZ2-CD2 3.47Å; W405-F409 HydrophobicContact CZ2-CE2 4.05Å; W405-F409 HydrophobicContact CZ2-CG 4.02Å; W405-F409 HydrophobicContact CZ3-CB 3.6Å; W405-F409 HydrophobicContact CZ3-CD1 4.26Å; W405-F409 HydrophobicContact CZ3-CD2 4.04Å; W405-F409 AromaticContact CZ3-CG 3.71Å; W405-F409 HydrophobicContact CZ3-CG 3.71Å; W405-F409 WeakPolarHBondContact O-CB 3.49Å; W405-F409 PolarHBondContact O-N 3.04Å; T406-F409 PolarHBondContact O-N 3.1Å; M407-F409 PolarHBondContact O-N 3.27Å; F409-A412 PolarHBondContact O-N 3.47Å; F409-F413 WeakPolarHBondContact O-CB 3.33Å; F409-F413 PolarHBondContact O-N 2.96Å |
| 410 | F | 97.4 | Very high | 93.6 | Very high | 0 Ų | 0 | 22.3 Ų | 22.3 | 0% | 0 | 10% | 0.096 | C | C | . | . | H | α-helix | trans | -77.2 | -29.1 | -173.7 | -77.6 | -80.4 | 0 | 0 | 0 | 113.4 | I225 L229 C371 F374 L375 Y379 T406 C414 | I225-F410 HydrophobicContact CG2-CE2 4Å; I225-F410 HydrophobicContact CG2-CZ 3.93Å; L229-F410 HydrophobicContact CD1-CE1 4.34Å; L229-F410 HydrophobicContact CD1-CE2 3.9Å; L229-F410 HydrophobicContact CD1-CZ 3.44Å; L229-F410 VanDerWaalsContact CD1-CZ 3.44Å; C371-F410 HydrophobicContact CB-CE1 3.84Å; F374-F410 HydrophobicContact CB-CE1 4.45Å; F374-F410 AromaticContact CD1-CD1 3.86Å; F374-F410 HydrophobicContact CD1-CD1 3.86Å; F374-F410 HydrophobicContact CD1-CD2 4.34Å; F374-F410 AromaticContact CD1-CE1 3.4Å; F374-F410 HydrophobicContact CD1-CE1 3.4Å; F374-F410 VanDerWaalsContact CD1-CE1 3.4Å; F374-F410 AromaticContact CD1-CE2 3.93Å; F374-F410 HydrophobicContact CD1-CE2 3.93Å; F374-F410 HydrophobicContact CD1-CG 4.29Å; F374-F410 AromaticContact CD1-CZ 3.42Å; F374-F410 HydrophobicContact CD1-CZ 3.42Å; F374-F410 VanDerWaalsContact CD1-CZ 3.42Å; F374-F410 HydrophobicContact CE1-CD1 4.3Å; F374-F410 AromaticContact CE1-CD2 3.99Å; F374-F410 HydrophobicContact CE1-CD2 3.99Å; F374-F410 HydrophobicContact CE1-CE1 4.01Å; F374-F410 AromaticContact CE1-CE2 3.68Å; F374-F410 HydrophobicContact CE1-CE2 3.68Å; F374-F410 HydrophobicContact CE1-CG 4.27Å; F374-F410 AromaticContact CE1-CZ 3.68Å; F374-F410 HydrophobicContact CE1-CZ 3.68Å; F374-F410 HydrophobicContact CG-CE1 4.3Å; F374-F410 HydrophobicContact CG-CZ 4.3Å; L375-F410 HydrophobicContact CD1-CD1 4.39Å; L375-F410 HydrophobicContact CD2-CB 4.17Å; L375-F410 HydrophobicContact CD2-CD1 4.37Å; L375-F410 HydrophobicContact CG-CD1 4Å; Y379-F410 HydrophobicContact CD2-CB 3.88Å; Y379-F410 HydrophobicContact CD2-CG 4.2Å; Y379-F410 HydrophobicContact CE2-CB 3.55Å; Y379-F410 HydrophobicContact CE2-CG 4.23Å; T406-F410 HydrophobicContact CG2-CD2 3.49Å; T406-F410 VanDerWaalsContact CG2-CD2 3.49Å; T406-F410 HydrophobicContact CG2-CE2 3.85Å; T406-F410 WeakPolarHBondContact O-CD2 3.39Å; T406-F410 PolarHBondContact O-N 3.29Å; F410-C414 WeakPolarHBondContact O-CB 3.48Å; F410-C414 PolarHBondContact O-N 3.45Å |
| 411 | M | 96.4 | Very high | 93.6 | Very high | 1 Ų | 1 | 21.6 Ų | 21.6 | 1% | 0.005 | 9% | 0.094 | C | C | . | . | H | α-helix | trans | -66.5 | -43.3 | 169.5 | -70.6 | -177.5 | 63.9 | 0 | 0 | 111.8 | M407 C414 R415 I424 L428 E476 F477 C480 | M407-M411 HydrophobicContact CE-CE 4.16Å; M407-M411 HydrophobicContact CE-SD 3.32Å; M407-M411 WeakPolarHBondContact CE-SD 3.32Å; M407-M411 HydrophobicContact CG-CG 4.4Å; M407-M411 HydrophobicContact CG-SD 3.52Å; M407-M411 VanDerWaalsContact CG-SD 3.52Å; M407-M411 WeakPolarHBondContact O-CB 3.4Å; M407-M411 WeakPolarHBondContact O-CG 3.42Å; M407-M411 PolarHBondContact O-N 2.98Å; M407-M411 VanDerWaalsContact O-N 3.11Å; M407-M411 HydrophobicContact SD-SD 4.33Å; M411-C414 PolarHBondContact O-N 2.97Å; M411-R415 WeakPolarHBondContact O-CB 3.16Å; M411-R415 PolarHBondContact O-N 3.35Å; M411-I424 HydrophobicContact CE-CD1 4.41Å; M411-I424 HydrophobicContact CG-CB 4.33Å; M411-I424 HydrophobicContact CG-CD1 4.23Å; M411-I424 HydrophobicContact CG-CG2 4.28Å; M411-L428 HydrophobicContact CE-CD1 3.73Å; M411-E476 HydrophobicContact CB-CG 3.98Å; M411-F477 HydrophobicContact CE-CB 4.31Å; M411-F477 HydrophobicContact CE-CD2 4.32Å; M411-C480 HydrophobicContact CE-CB 3.86Å |
| 412 | A | 95.4 | Very high | 93.5 | Very high | 3 Ų | 3 | 23.5 Ų | 23.5 | 3% | 0.025 | 10% | 0.103 | C | C | . | . | H | α-helix | trans | -64.2 | -40.6 | 174.1 | 0 | 0 | 0 | 0 | 0 | 112.6 | P234 R408 F409 R415 E476 | P234-A412 HydrophobicContact CB-CB 3.99Å; P234-A412 HydrophobicContact CG-CB 3.51Å; R408-A412 VanDerWaalsContact O-CB 3.24Å; R408-A412 WeakPolarHBondContact O-CB 3.33Å; R408-A412 PolarHBondContact O-N 2.94Å; R408-A412 VanDerWaalsContact O-N 3.17Å; F409-A412 PolarHBondContact O-N 3.47Å; A412-R415 PolarHBondContact O-N 3.5Å; A412-E476 HydrophobicContact CB-CG 4.12Å |
| 413 | F | 95.9 | Very high | 93.5 | Very high | 0 Ų | 0 | 23.4 Ų | 23.4 | 0% | 0 | 10% | 0.102 | C | C | . | . | H | α-helix | trans | -63.8 | -50.9 | 175.8 | -179.2 | -91.5 | 0 | 0 | 0 | 110.6 | P234 L237 A238 Q368 C371 L375 F409 R415 V416 Y417 | P234-F413 HydrophobicContact CB-CB 3.78Å; L237-F413 HydrophobicContact CB-CD2 4.14Å; L237-F413 HydrophobicContact CB-CE2 3.84Å; A238-F413 HydrophobicContact CB-CD2 4.18Å; A238-F413 HydrophobicContact CB-CE2 4.29Å; Q368-F413 HydrophobicContact CG-CE2 4.37Å; Q368-F413 HydrophobicContact CG-CZ 4.06Å; C371-F413 HydrophobicContact CB-CD1 4.1Å; C371-F413 HydrophobicContact CB-CD2 4.44Å; C371-F413 HydrophobicContact CB-CE1 3.68Å; C371-F413 HydrophobicContact CB-CE2 4.06Å; C371-F413 HydrophobicContact CB-CG 4.45Å; C371-F413 HydrophobicContact CB-CZ 3.66Å; L375-F413 HydrophobicContact CD1-CD1 3.66Å; L375-F413 HydrophobicContact CD1-CE1 4.15Å; F409-F413 WeakPolarHBondContact O-CB 3.33Å; F409-F413 PolarHBondContact O-N 2.96Å; F413-R415 VanDerWaalsContact C-N 3.32Å; F413-R415 PolarHBondContact O-N 2.74Å; F413-V416 PolarHBondContact O-N 2.78Å; F413-V416 VanDerWaalsContact O-N 3.12Å; F413-Y417 AromaticContact CE1-CD1 3.77Å; F413-Y417 HydrophobicContact CE1-CD1 3.77Å; F413-Y417 AromaticContact CE1-CG 4Å; F413-Y417 HydrophobicContact CE1-CG 4Å; F413-Y417 AromaticContact CZ-CD1 3.92Å; F413-Y417 HydrophobicContact CZ-CD1 3.92Å; F413-Y417 AromaticContact CZ-CG 3.87Å; F413-Y417 HydrophobicContact CZ-CG 3.87Å; F413-Y417 WeakPolarHBondContact O-CB 3.18Å; F413-Y417 PolarHBondContact O-N 2.92Å |
| 414 | C | 94.8 | Very high | 93.5 | Very high | 0 Ų | 0 | 23.3 Ų | 23.3 | 0% | 0 | 10% | 0.102 | C | C | . | . | H | α-helix | trans | -58.2 | -41 | 177.3 | -174.8 | 0 | 0 | 0 | 0 | 112.1 | L375 F410 M411 V416 F419 R420 I424 | L375-C414 HydrophobicContact CD1-CB 3.84Å; L375-C414 HydrophobicContact CD2-CB 4.4Å; F410-C414 WeakPolarHBondContact O-CB 3.48Å; F410-C414 PolarHBondContact O-N 3.45Å; M411-C414 PolarHBondContact O-N 2.97Å; C414-V416 PolarHBondContact O-N 3.22Å; C414-V416 VanDerWaalsContact O-N 3.12Å; C414-F419 WeakPolarHBondContact O-CA 3.4Å; C414-F419 WeakPolarHBondContact O-CB 3.49Å; C414-F419 WeakPolarHBondContact O-CD2 3.49Å; C414-R420 PolarHBondContact SG-O 3.2Å; C414-R420 VanDerWaalsContact SG-O 3.4Å; C414-I424 HydrophobicContact CB-CG2 4.07Å |
| 415 | R | 92.8 | Very high | 93.4 | Very high | 40 Ų | 40 | 26.2 Ų | 26.2 | 15% | 0.151 | 12% | 0.122 | C | C | . | . | H | α-helix | trans | -53.7 | -31.6 | 176.7 | 162.1 | 173.6 | 54.3 | 68.7 | -9.4 | 113.6 | E235 M411 A412 F413 E476 R483 | E235-R415 IonicContact OE1-CZ 3.61Å; E235-R415 IonicContact OE1-NH1 2.74Å; E235-R415 PolarHBondContact OE1-NH1 3.47Å; E235-R415 IonicContact OE1-NH2 2.69Å; E235-R415 PolarHBondContact OE1-NH2 3Å; M411-R415 WeakPolarHBondContact O-CB 3.16Å; M411-R415 PolarHBondContact O-N 3.35Å; A412-R415 PolarHBondContact O-N 3.5Å; F413-R415 VanDerWaalsContact C-N 3.32Å; F413-R415 PolarHBondContact O-N 2.74Å; R415-E476 IonicContact CZ-OE1 3.35Å; R415-E476 VanDerWaalsContact CZ-OE1 3.31Å; R415-E476 IonicContact CZ-OE2 3.53Å; R415-E476 IonicContact NE-OE1 3.49Å; R415-E476 PolarHBondContact NE-OE1 3.26Å; R415-E476 IonicContact NE-OE2 3.26Å; R415-E476 VanDerWaalsContact NH2-CD 3.33Å; R415-E476 IonicContact NH2-OE1 3.11Å; R415-E476 PolarHBondContact NH2-OE1 3.34Å; R415-E476 VanDerWaalsContact NH2-OE1 3.12Å; R415-E476 IonicContact NH2-OE2 2.8Å; R415-E476 PolarHBondContact NH2-OE2 3.39Å; R415-R483 HydrophobicContact CG-CG 4.27Å |
| 416 | V | 89.6 | Confident | 93.3 | Very high | 54 Ų | 54 | 26 Ų | 26 | 33% | 0.327 | 12% | 0.123 | S | C | . | . | H | α-helix | trans | -102 | -45.7 | -177.6 | -175.1 | 0 | 0 | 0 | 0 | 111.3 | E235 A238 F413 C414 | E235-V416 HydrophobicContact CG-CG2 4.38Å; A238-V416 HydrophobicContact CB-CB 3.64Å; A238-V416 HydrophobicContact CB-CG1 3.54Å; F413-V416 PolarHBondContact O-N 2.78Å; F413-V416 VanDerWaalsContact O-N 3.12Å; C414-V416 PolarHBondContact O-N 3.22Å; C414-V416 VanDerWaalsContact O-N 3.12Å |
| 417 | Y | 89.7 | Confident | 93.2 | Very high | 41 Ų | 41 | 26 Ų | 26 | 16% | 0.161 | 12% | 0.123 | C | C | . | . | S | Bend | trans | -94.4 | 108.3 | -177.3 | -168.2 | -96.2 | 0 | 0 | 0 | 112 | A238 Q368 W372 F413 F419 | A238-Y417 WeakPolarHBondContact O-CD2 3.28Å; Q368-Y417 HydrophobicContact CG-CD2 4.26Å; Q368-Y417 HydrophobicContact CG-CE2 3.89Å; W372-Y417 HydrophobicContact CB-CD1 4.5Å; W372-Y417 HydrophobicContact CB-CE1 3.94Å; W372-Y417 HydrophobicContact CD2-CD1 4.23Å; W372-Y417 AromaticContact CD2-CE1 3.78Å; W372-Y417 HydrophobicContact CD2-CE1 3.78Å; W372-Y417 AromaticContact CE3-CD1 3.73Å; W372-Y417 HydrophobicContact CE3-CD1 3.73Å; W372-Y417 AromaticContact CE3-CE1 3.77Å; W372-Y417 HydrophobicContact CE3-CE1 3.77Å; W372-Y417 AromaticContact CG-CE1 3.86Å; W372-Y417 HydrophobicContact CG-CE1 3.86Å; W372-Y417 HydrophobicContact CZ3-CD1 4.32Å; F413-Y417 AromaticContact CE1-CD1 3.77Å; F413-Y417 HydrophobicContact CE1-CD1 3.77Å; F413-Y417 AromaticContact CE1-CG 4Å; F413-Y417 HydrophobicContact CE1-CG 4Å; F413-Y417 AromaticContact CZ-CD1 3.92Å; F413-Y417 HydrophobicContact CZ-CD1 3.92Å; F413-Y417 AromaticContact CZ-CG 3.87Å; F413-Y417 HydrophobicContact CZ-CG 3.87Å; F413-Y417 WeakPolarHBondContact O-CB 3.18Å; F413-Y417 PolarHBondContact O-N 2.92Å; Y417-F419 PolarHBondContact O-N 3.22Å |
| 418 | R | 85.9 | Confident | 93.2 | Very high | 84 Ų | 84 | 26.3 Ų | 26.3 | 32% | 0.317 | 13% | 0.125 | S | C | . | . | S | Bend | trans | 48.7 | 51.5 | 172.3 | -59.7 | -173.9 | 175.1 | -132.4 | 7.5 | 113.8 | W372 R420 Q495 | W372-R418 HydrophobicContact CE3-CB 4.32Å; W372-R418 HydrophobicContact CH2-CB 3.49Å; W372-R418 VanDerWaalsContact CH2-CB 3.49Å; W372-R418 HydrophobicContact CH2-CG 4.29Å; W372-R418 HydrophobicContact CZ2-CB 4.27Å; W372-R418 HydrophobicContact CZ3-CB 3.54Å; W372-R418 HydrophobicContact CZ3-CG 4.44Å; R418-R420 PolarHBondContact O-N 3.16Å; R418-R420 VanDerWaalsContact O-N 3.11Å; R418-Q495 VanDerWaalsContact CD-OE1 3.27Å; R418-Q495 VanDerWaalsContact CZ-OE1 3.23Å |
| 419 | F | 89.7 | Confident | 93.1 | Very high | 14 Ų | 14 | 24.4 Ų | 24.4 | 6% | 0.061 | 12% | 0.123 | C | C | . | . | trans | -50.9 | 114.1 | -170.3 | -177 | -115.4 | 0 | 0 | 0 | 114.4 | C414 Y417 I424 R483 M484 | C414-F419 WeakPolarHBondContact O-CA 3.4Å; C414-F419 WeakPolarHBondContact O-CB 3.49Å; C414-F419 WeakPolarHBondContact O-CD2 3.49Å; Y417-F419 PolarHBondContact O-N 3.22Å; F419-I424 HydrophobicContact CE2-CD1 4.15Å; F419-R483 HydrophobicContact CD1-CG 4Å; F419-R483 HydrophobicContact CE1-CB 4.5Å; F419-R483 HydrophobicContact CE1-CG 3.99Å; F419-R483 HydrophobicContact CG-CG 4.3Å; F419-R483 HydrophobicContact CZ-CB 4.49Å; F419-R483 HydrophobicContact CZ-CG 4.27Å; F419-M484 HydrophobicContact CE1-CG 3.72Å; F419-M484 HydrophobicContact CZ-CG 3.59Å | ||
| 420 | R | 88.3 | Confident | 93 | Very high | 21 Ų | 21 | 26.6 Ų | 26.6 | 8% | 0.079 | 14% | 0.136 | C | C | . | . | trans | -132.4 | 114.5 | 169.8 | -70.2 | 174.2 | 177.1 | -90.1 | -0.5 | 107.5 | C414 R418 D422 Y423 D498 E500 | C414-R420 PolarHBondContact SG-O 3.2Å; C414-R420 VanDerWaalsContact SG-O 3.4Å; R418-R420 PolarHBondContact O-N 3.16Å; R418-R420 VanDerWaalsContact O-N 3.11Å; R420-D422 PolarHBondContact O-N 3.11Å; R420-D422 VanDerWaalsContact O-N 3.12Å; R420-Y423 HydrophobicContact CB-CD2 3.98Å; R420-Y423 HydrophobicContact CB-CE2 4.12Å; R420-Y423 HydrophobicContact CB-CG 4.43Å; R420-Y423 VanDerWaalsContact CD-CE2 3.48Å; R420-Y423 HydrophobicContact CG-CE2 4.39Å; R420-Y423 PolarHBondContact O-N 3.35Å; R420-D498 IonicContact CZ-OD2 3.01Å; R420-D498 VanDerWaalsContact NH2-CG 3.27Å; R420-D498 IonicContact NH2-OD1 2.67Å; R420-D498 IonicContact NH2-OD2 2.65Å; R420-D498 PolarHBondContact NH2-OD2 2.65Å; R420-E500 IonicContact CZ-OE1 3.92Å; R420-E500 IonicContact CZ-OE2 3.74Å; R420-E500 IonicContact NH1-OE1 3.38Å; R420-E500 PolarHBondContact NH1-OE1 2.92Å; R420-E500 IonicContact NH1-OE2 3.7Å; R420-E500 PolarHBondContact NH1-OE2 2.55Å; R420-E500 VanDerWaalsContact NH2-CD 3.33Å; R420-E500 IonicContact NH2-OE1 3.4Å; R420-E500 PolarHBondContact NH2-OE1 3.38Å; R420-E500 IonicContact NH2-OE2 2.69Å; R420-E500 PolarHBondContact NH2-OE2 3.35Å | ||
| 421 | S | 90.5 | Very high | 92.8 | Very high | 8 Ų | 8 | 30.8 Ų | 30.8 | 6% | 0.056 | 16% | 0.163 | C | C | . | . | G | 310 helix | trans | -58.3 | -26.4 | 179.5 | 50.6 | 0 | 0 | 0 | 0 | 113.5 | Y423 I424 S425 Q512 | S421-Y423 PolarHBondContact O-N 3.27Å; S421-I424 CarbonylContact O-C 3.47Å; S421-I424 WeakPolarHBondContact O-CG1 3.46Å; S421-I424 PolarHBondContact O-N 3.3Å; S421-S425 PolarHBondContact O-N 3.45Å; S421-Q512 WeakPolarHBondContact OG-CG 3.47Å; S421-Q512 PolarHBondContact OG-NE2 3.32Å |
| 422 | D | 91.4 | Very high | 92.8 | Very high | 68 Ų | 68 | 30.9 Ų | 30.9 | 36% | 0.364 | 16% | 0.163 | S | C | . | . | G | 310 helix | trans | -68.9 | -32.1 | -166.1 | -39.1 | -44.4 | 0 | 0 | 0 | 109.8 | N380 R420 I424 S425 | N380-D422 PolarHBondContact ND2-O 3.35Å; R420-D422 PolarHBondContact O-N 3.11Å; R420-D422 VanDerWaalsContact O-N 3.12Å; D422-I424 VanDerWaalsContact C-N 3.28Å; D422-I424 PolarHBondContact O-N 2.71Å; D422-S425 WeakPolarHBondContact O-CB 3.31Å; D422-S425 PolarHBondContact O-N 3.11Å; D422-S425 PolarHBondContact O-OG 3.29Å |
| 423 | Y | 93.6 | Very high | 92.8 | Very high | 37 Ų | 37 | 30.7 Ų | 30.7 | 15% | 0.145 | 16% | 0.162 | C | C | . | . | G | 310 helix | trans | -74.1 | -9.6 | 173.3 | -59.2 | -18.5 | 0 | 0 | 0 | 114.6 | W372 L375 K376 Y379 R420 S421 | W372-Y423 HydrophobicContact CH2-CD2 4.25Å; W372-Y423 AromaticContact CH2-CE2 3.65Å; W372-Y423 HydrophobicContact CH2-CE2 3.65Å; W372-Y423 HydrophobicContact CZ2-CE2 4.16Å; W372-Y423 HydrophobicContact CZ3-CD2 4.15Å; W372-Y423 HydrophobicContact CZ3-CE2 4Å; L375-Y423 WeakPolarHBondContact O-CB 3.45Å; K376-Y423 HydrophobicContact CB-CE2 4.2Å; K376-Y423 HydrophobicContact CG-CE1 4.16Å; K376-Y423 HydrophobicContact CG-CE2 4.29Å; Y379-Y423 WeakPolarHBondContact CD1-O 3.38Å; R420-Y423 HydrophobicContact CB-CD2 3.98Å; R420-Y423 HydrophobicContact CB-CE2 4.12Å; R420-Y423 HydrophobicContact CB-CG 4.43Å; R420-Y423 VanDerWaalsContact CD-CE2 3.48Å; R420-Y423 HydrophobicContact CG-CE2 4.39Å; R420-Y423 PolarHBondContact O-N 3.35Å; S421-Y423 PolarHBondContact O-N 3.27Å |
| 424 | I | 94.9 | Very high | 92.7 | Very high | 0 Ų | 0 | 34.8 Ų | 34.8 | 0% | 0 | 18% | 0.181 | C | C | . | . | G | 310 helix | trans | -123.2 | 11.1 | 175.1 | 60.4 | 171.7 | 0 | 0 | 0 | 112.9 | L375 Y379 M411 C414 F419 S421 D422 E426 T427 L428 C480 | L375-I424 HydrophobicContact CD2-CG2 3.65Å; Y379-I424 HydrophobicContact CD1-CG2 4.35Å; Y379-I424 HydrophobicContact CE1-CB 4.08Å; Y379-I424 HydrophobicContact CE1-CG2 4Å; M411-I424 HydrophobicContact CE-CD1 4.41Å; M411-I424 HydrophobicContact CG-CB 4.33Å; M411-I424 HydrophobicContact CG-CD1 4.23Å; M411-I424 HydrophobicContact CG-CG2 4.28Å; C414-I424 HydrophobicContact CB-CG2 4.07Å; F419-I424 HydrophobicContact CE2-CD1 4.15Å; S421-I424 CarbonylContact O-C 3.47Å; S421-I424 WeakPolarHBondContact O-CG1 3.46Å; S421-I424 PolarHBondContact O-N 3.3Å; D422-I424 VanDerWaalsContact C-N 3.28Å; D422-I424 PolarHBondContact O-N 2.71Å; I424-E426 VanDerWaalsContact C-N 3.3Å; I424-E426 PolarHBondContact O-N 3.35Å; I424-T427 PolarHBondContact O-N 3.19Å; I424-T427 PolarHBondContact O-OG1 3.36Å; I424-L428 HydrophobicContact CD1-CD2 4.18Å; I424-L428 HydrophobicContact CG1-CD2 4.36Å; I424-L428 WeakPolarHBondContact O-CB 3.3Å; I424-L428 PolarHBondContact O-N 3Å; I424-C480 HydrophobicContact CD1-CB 4.46Å |
| 425 | S | 93.7 | Very high | 92.7 | Very high | 60 Ų | 60 | 36 Ų | 36 | 42% | 0.42 | 19% | 0.186 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -62.1 | -31.3 | -169.4 | 54.9 | 0 | 0 | 0 | 0 | 114 | N380 S421 D422 L428 | N380-S425 PolarHBondContact OD1-N 3.27Å; S421-S425 PolarHBondContact O-N 3.45Å; D422-S425 WeakPolarHBondContact O-CB 3.31Å; D422-S425 PolarHBondContact O-N 3.11Å; D422-S425 PolarHBondContact O-OG 3.29Å; S425-L428 PolarHBondContact O-N 2.85Å |
| 426 | E | 93.8 | Very high | 92.9 | Very high | 39 Ų | 39 | 34.1 Ų | 34.1 | 18% | 0.182 | 18% | 0.179 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -59.6 | -52.1 | 175.1 | -167 | 69.7 | -162.7 | 0 | 0 | 110.8 | N380 R384 I424 S429 I432 | N380-E426 HydrophobicContact CB-CB 4.12Å; N380-E426 WeakPolarHBondContact OD1-CB 3.49Å; N380-E426 PolarHBondContact OD1-N 3.02Å; R384-E426 HydrophobicContact CB-CG 3.96Å; R384-E426 VanDerWaalsContact CB-OE1 3.3Å; R384-E426 WeakPolarHBondContact CB-OE1 3.28Å; R384-E426 WeakPolarHBondContact CG-OE1 3.23Å; R384-E426 IonicContact CZ-OE2 3.61Å; R384-E426 VanDerWaalsContact NE-CD 3.29Å; R384-E426 IonicContact NE-OE1 2.73Å; R384-E426 PolarHBondContact NE-OE1 2.89Å; R384-E426 VanDerWaalsContact NE-OE1 3.11Å; R384-E426 IonicContact NE-OE2 3.68Å; R384-E426 PolarHBondContact NE-OE2 3.24Å; R384-E426 IonicContact NH2-OE2 2.72Å; R384-E426 PolarHBondContact NH2-OE2 2.84Å; I424-E426 VanDerWaalsContact C-N 3.3Å; I424-E426 PolarHBondContact O-N 3.35Å; E426-S429 PolarHBondContact O-OG 3.38Å; E426-I432 WeakPolarHBondContact O-CG1 3.44Å |
| 427 | T | 95.4 | Very high | 93.2 | Very high | 0 Ų | 0 | 33.4 Ų | 33.4 | 0% | 0 | 17% | 0.17 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -76.6 | -21 | -179.8 | 51 | 0 | 0 | 0 | 0 | 114.1 | Y379 M383 F403 M407 I424 S429 I432 F477 | Y379-T427 HydrophobicContact CE1-CG2 3.94Å; Y379-T427 VanDerWaalsContact CE1-OG1 3.29Å; Y379-T427 WeakPolarHBondContact CE1-OG1 3.47Å; Y379-T427 WeakPolarHBondContact OH-CB 3.27Å; Y379-T427 WeakPolarHBondContact OH-CG2 3.49Å; Y379-T427 PolarHBondContact OH-OG1 3.05Å; M383-T427 HydrophobicContact CB-CG2 4.15Å; M383-T427 HydrophobicContact CE-CG2 3.65Å; M383-T427 HydrophobicContact CG-CG2 4.32Å; F403-T427 HydrophobicContact CZ-CG2 4.4Å; M407-T427 HydrophobicContact CG-CG2 4.08Å; M407-T427 HydrophobicContact SD-CG2 4.46Å; I424-T427 PolarHBondContact O-N 3.19Å; I424-T427 PolarHBondContact O-OG1 3.36Å; T427-S429 VanDerWaalsContact C-N 3.25Å; T427-S429 PolarHBondContact O-N 3.48Å; T427-I432 VanDerWaalsContact O-CG2 3.24Å; T427-I432 WeakPolarHBondContact O-CG2 3.3Å; T427-F477 WeakPolarHBondContact O-CE2 3.02Å |
| 428 | L | 94.6 | Very high | 93.4 | Very high | 8 Ų | 8 | 34.8 Ų | 34.8 | 4% | 0.042 | 18% | 0.18 | C | C | . | . | S | Bend | trans | -92.4 | 51.5 | -178.8 | -163.1 | 64 | 0 | 0 | 0 | 111.4 | M411 I424 S425 F477 C480 L481 M484 I519 | M411-L428 HydrophobicContact CE-CD1 3.73Å; I424-L428 HydrophobicContact CD1-CD2 4.18Å; I424-L428 HydrophobicContact CG1-CD2 4.36Å; I424-L428 WeakPolarHBondContact O-CB 3.3Å; I424-L428 PolarHBondContact O-N 3Å; S425-L428 PolarHBondContact O-N 2.85Å; L428-F477 HydrophobicContact CD1-CD2 3.92Å; L428-F477 HydrophobicContact CD1-CE2 3.97Å; L428-F477 HydrophobicContact CD1-CG 4.27Å; L428-F477 HydrophobicContact CD1-CZ 4.32Å; L428-C480 HydrophobicContact CD1-CB 4.09Å; L428-L481 HydrophobicContact CD1-CD2 4.18Å; L428-L481 HydrophobicContact CD1-CG 4.16Å; L428-L481 HydrophobicContact CG-CD2 4.44Å; L428-M484 HydrophobicContact CD2-CE 4.14Å; L428-M484 HydrophobicContact CD2-SD 3.44Å; L428-M484 WeakPolarHBondContact CD2-SD 3.38Å; L428-I519 WeakPolarHBondContact O-CD1 3.3Å |
| 429 | S | 94 | Very high | 93.8 | Very high | 34 Ų | 34 | 32.2 Ų | 32.2 | 24% | 0.238 | 17% | 0.172 | C | C | . | . | S | Bend | trans | -130.4 | 154.4 | -174.2 | 66.7 | 0 | 0 | 0 | 0 | 112.5 | E426 T427 I432 F433 | E426-S429 PolarHBondContact O-OG 3.38Å; T427-S429 VanDerWaalsContact C-N 3.25Å; T427-S429 PolarHBondContact O-N 3.48Å; S429-I432 PolarHBondContact O-N 3.47Å; S429-I432 WeakPolarHBondContact OG-CG1 3.5Å; S429-F433 PolarHBondContact O-N 3.23Å |
| 430 | V | 94.6 | Very high | 94.1 | Very high | 47 Ų | 47 | 31.6 Ų | 31.6 | 29% | 0.285 | 17% | 0.169 | S | C | . | . | H | α-helix | trans | -60 | -39.7 | -178.7 | -177.5 | 0 | 0 | 0 | 0 | 113.1 | I432 F433 H434 I519 N522 | V430-I432 VanDerWaalsContact C-N 3.33Å; V430-I432 PolarHBondContact O-N 3.34Å; V430-F433 PolarHBondContact O-N 3.42Å; V430-H434 PolarHBondContact O-N 2.88Å; V430-I519 HydrophobicContact CG2-CB 4.45Å; V430-I519 HydrophobicContact CG2-CG1 4.27Å; V430-I519 HydrophobicContact CG2-CG2 4.19Å; V430-N522 HydrophobicContact CG1-CB 4.31Å; V430-N522 HydrophobicContact CG2-CB 3.94Å |
| 431 | P | 94.6 | Very high | 94.4 | Very high | 87 Ų | 87 | 32.9 Ų | 32.9 | 57% | 0.565 | 18% | 0.177 | S | C | * | . | H | α-helix | trans | -62 | -37.5 | 174.9 | -24.5 | 36.1 | 0 | 0 | 0 | 113.3 | H434 W435 | P431-H434 PolarHBondContact O-N 2.99Å; P431-W435 PolarHBondContact O-N 3.13Å |
| 432 | I | 95.3 | Very high | 94.6 | Very high | 3 Ų | 3 | 35.4 Ų | 35.4 | 2% | 0.015 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -68.7 | -40 | 176.8 | -62.8 | -70.1 | 0 | 0 | 0 | 110.8 | Q387 F403 M407 E426 T427 S429 V430 H434 W435 I436 | Q387-I432 HydrophobicContact CB-CD1 4.43Å; Q387-I432 HydrophobicContact CG-CD1 3.56Å; F403-I432 HydrophobicContact CZ-CD1 4.33Å; M407-I432 HydrophobicContact CE-CG2 4.06Å; M407-I432 HydrophobicContact SD-CG2 4.11Å; E426-I432 WeakPolarHBondContact O-CG1 3.44Å; T427-I432 VanDerWaalsContact O-CG2 3.24Å; T427-I432 WeakPolarHBondContact O-CG2 3.3Å; S429-I432 PolarHBondContact O-N 3.47Å; S429-I432 WeakPolarHBondContact OG-CG1 3.5Å; V430-I432 VanDerWaalsContact C-N 3.33Å; V430-I432 PolarHBondContact O-N 3.34Å; I432-H434 VanDerWaalsContact C-N 3.33Å; I432-H434 PolarHBondContact O-N 3.42Å; I432-W435 PolarHBondContact O-N 3.38Å; I432-I436 HydrophobicContact CG2-CD1 3.89Å; I432-I436 HydrophobicContact CG2-CG1 4.41Å; I432-I436 VanDerWaalsContact O-CG1 3.28Å; I432-I436 WeakPolarHBondContact O-CG1 3.38Å; I432-I436 PolarHBondContact O-N 2.88Å |
| 433 | F | 95.6 | Very high | 94.6 | Very high | 0 Ų | 0 | 32.4 Ų | 32.4 | 0% | 0 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -60.5 | -41.7 | 174 | -166.3 | -100.6 | 0 | 0 | 0 | 112.6 | S429 V430 I436 Y437 Y474 F477 L478 V523 Y529 | S429-F433 PolarHBondContact O-N 3.23Å; V430-F433 PolarHBondContact O-N 3.42Å; F433-I436 PolarHBondContact O-N 2.99Å; F433-Y437 PolarHBondContact O-N 2.87Å; F433-Y474 HydrophobicContact CD2-CE2 4.44Å; F433-Y474 AromaticContact CE1-CE2 3.76Å; F433-Y474 HydrophobicContact CE1-CE2 3.76Å; F433-Y474 AromaticContact CE1-CZ 3.9Å; F433-Y474 AromaticContact CE2-CD2 3.91Å; F433-Y474 HydrophobicContact CE2-CD2 3.91Å; F433-Y474 HydrophobicContact CE2-CE1 4.34Å; F433-Y474 AromaticContact CE2-CE2 3.71Å; F433-Y474 HydrophobicContact CE2-CE2 3.71Å; F433-Y474 HydrophobicContact CE2-CG 4.32Å; F433-Y474 AromaticContact CE2-CZ 3.96Å; F433-Y474 HydrophobicContact CZ-CD2 4.02Å; F433-Y474 AromaticContact CZ-CE1 3.92Å; F433-Y474 HydrophobicContact CZ-CE1 3.92Å; F433-Y474 AromaticContact CZ-CE2 3.33Å; F433-Y474 HydrophobicContact CZ-CE2 3.33Å; F433-Y474 AromaticContact CZ-CZ 3.29Å; F433-Y474 WeakPolarHBondContact CZ-OH 3.44Å; F433-F477 HydrophobicContact CB-CE1 3.95Å; F433-F477 HydrophobicContact CB-CE2 4.15Å; F433-F477 HydrophobicContact CB-CZ 3.7Å; F433-F477 AromaticContact CD2-CD1 3.25Å; F433-F477 HydrophobicContact CD2-CD1 3.25Å; F433-F477 HydrophobicContact CD2-CD2 4.34Å; F433-F477 AromaticContact CD2-CE1 3.25Å; F433-F477 HydrophobicContact CD2-CE1 3.25Å; F433-F477 HydrophobicContact CD2-CE2 4.34Å; F433-F477 AromaticContact CD2-CG 3.83Å; F433-F477 HydrophobicContact CD2-CG 3.83Å; F433-F477 AromaticContact CD2-CZ 3.85Å; F433-F477 HydrophobicContact CD2-CZ 3.85Å; F433-F477 AromaticContact CE2-CD1 3.64Å; F433-F477 HydrophobicContact CE2-CD1 3.64Å; F433-F477 AromaticContact CE2-CE1 3.92Å; F433-F477 HydrophobicContact CE2-CE1 3.92Å; F433-F477 HydrophobicContact CE2-CG 4.38Å; F433-F477 HydrophobicContact CG-CD1 4.27Å; F433-F477 AromaticContact CG-CE1 3.83Å; F433-F477 HydrophobicContact CG-CE1 3.83Å; F433-F477 HydrophobicContact CG-CZ 4.12Å; F433-L478 HydrophobicContact CE2-CD2 4.17Å; F433-L478 HydrophobicContact CE2-CG 4.33Å; F433-L478 HydrophobicContact CZ-CD2 4.33Å; F433-V523 HydrophobicContact CD1-CG1 4.31Å; F433-V523 HydrophobicContact CD1-CG2 3.64Å; F433-V523 HydrophobicContact CE1-CB 4.31Å; F433-V523 HydrophobicContact CE1-CG1 3.59Å; F433-V523 HydrophobicContact CE1-CG2 3.79Å; F433-V523 HydrophobicContact CG-CG2 4.07Å; F433-V523 HydrophobicContact CZ-CG1 3.83Å; F433-V523 HydrophobicContact CZ-CG2 4.33Å; F433-Y529 AromaticContact CD1-CD2 3.93Å; F433-Y529 HydrophobicContact CD1-CD2 3.93Å; F433-Y529 AromaticContact CD1-CE2 3.78Å; F433-Y529 HydrophobicContact CD1-CE2 3.78Å; F433-Y529 HydrophobicContact CD1-CG 4.47Å; F433-Y529 HydrophobicContact CE1-CD1 4.47Å; F433-Y529 AromaticContact CE1-CD2 3.59Å; F433-Y529 HydrophobicContact CE1-CD2 3.59Å; F433-Y529 AromaticContact CE1-CE2 3.96Å; F433-Y529 HydrophobicContact CE1-CE2 3.96Å; F433-Y529 AromaticContact CE1-CG 3.89Å; F433-Y529 HydrophobicContact CE1-CG 3.89Å |
| 434 | H | 95 | Very high | 94.6 | Very high | 86 Ų | 86 | 32.4 Ų | 32.4 | 40% | 0.398 | 18% | 0.175 | S | C | . | . | H | α-helix | trans | -62.5 | -44.4 | 173.5 | -171.3 | -12.3 | 0 | 0 | 0 | 111.5 | V430 P431 I432 I436 Y437 D438 Y529 | V430-H434 PolarHBondContact O-N 2.88Å; P431-H434 PolarHBondContact O-N 2.99Å; I432-H434 VanDerWaalsContact C-N 3.33Å; I432-H434 PolarHBondContact O-N 3.42Å; H434-I436 VanDerWaalsContact C-N 3.35Å; H434-I436 PolarHBondContact O-N 2.88Å; H434-Y437 WeakPolarHBondContact O-CB 3.37Å; H434-Y437 PolarHBondContact O-N 3.17Å; H434-D438 IonicContact CE1-OD1 2.92Å; H434-D438 PolarHBondContact CE1-OD1 3.27Å; H434-D438 VanDerWaalsContact CE1-OD1 3.24Å; H434-D438 IonicContact CE1-OD2 2.77Å; H434-D438 PolarHBondContact CE1-OD2 3.5Å; H434-D438 IonicContact ND1-OD1 3.57Å; H434-D438 PolarHBondContact ND1-OD1 3.1Å; H434-D438 IonicContact ND1-OD2 3.23Å; H434-D438 PolarHBondContact ND1-OD2 3.06Å; H434-D438 VanDerWaalsContact ND1-OD2 3.15Å; H434-D438 PolarHBondContact O-N 2.68Å; H434-Y529 WeakPolarHBondContact CB-OH 3.5Å |
| 435 | W | 94.7 | Very high | 94.4 | Very high | 25 Ų | 25 | 38.2 Ų | 38.2 | 10% | 0.095 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -61.9 | -40.1 | 178 | -178.3 | 88.6 | 0 | 0 | 0 | 112.3 | L390 E400 F403 L404 P431 I432 D438 Q439 | L390-W435 HydrophobicContact CB-CZ2 4.48Å; L390-W435 HydrophobicContact CD1-CH2 4.31Å; L390-W435 HydrophobicContact CD1-CZ2 4.08Å; E400-W435 HydrophobicContact CB-CH2 4.5Å; E400-W435 HydrophobicContact CB-CZ2 4.49Å; F403-W435 HydrophobicContact CD1-CE3 4.45Å; F403-W435 AromaticContact CD1-CH2 3.56Å; F403-W435 HydrophobicContact CD1-CH2 3.56Å; F403-W435 AromaticContact CD1-CZ3 3.51Å; F403-W435 HydrophobicContact CD1-CZ3 3.51Å; F403-W435 HydrophobicContact CE1-CE3 4.05Å; F403-W435 AromaticContact CE1-CH2 3.96Å; F403-W435 HydrophobicContact CE1-CH2 3.96Å; F403-W435 AromaticContact CE1-CZ3 3.52Å; F403-W435 HydrophobicContact CE1-CZ3 3.52Å; L404-W435 HydrophobicContact CD2-CH2 4.24Å; L404-W435 HydrophobicContact CD2-CZ3 3.67Å; L404-W435 HydrophobicContact CG-CH2 4.18Å; L404-W435 HydrophobicContact CG-CZ3 4.1Å; P431-W435 PolarHBondContact O-N 3.13Å; I432-W435 PolarHBondContact O-N 3.38Å; W435-D438 PolarHBondContact O-N 3.37Å; W435-Q439 HydrophobicContact CD2-CG 4.19Å; W435-Q439 HydrophobicContact CE3-CG 4.25Å; W435-Q439 HydrophobicContact CH2-CG 3.98Å; W435-Q439 HydrophobicContact CZ2-CG 3.91Å; W435-Q439 HydrophobicContact CZ3-CG 4.15Å; W435-Q439 WeakPolarHBondContact O-CG 3.44Å; W435-Q439 PolarHBondContact O-N 2.93Å |
| 436 | I | 95.8 | Very high | 94.1 | Very high | 0 Ų | 0 | 39.9 Ų | 39.9 | 0% | 0 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -66.2 | -41.4 | 174.9 | -61.2 | 159.2 | 0 | 0 | 0 | 110.8 | L404 M407 I432 F433 H434 D438 Q439 V440 A470 C473 Y474 | L404-I436 HydrophobicContact CD2-CG1 4.49Å; M407-I436 HydrophobicContact CE-CD1 3.47Å; M407-I436 VanDerWaalsContact CE-CD1 3.47Å; M407-I436 HydrophobicContact SD-CD1 3.58Å; M407-I436 VanDerWaalsContact SD-CD1 3.58Å; M407-I436 HydrophobicContact SD-CG1 4.4Å; I432-I436 HydrophobicContact CG2-CD1 3.89Å; I432-I436 HydrophobicContact CG2-CG1 4.41Å; I432-I436 VanDerWaalsContact O-CG1 3.28Å; I432-I436 WeakPolarHBondContact O-CG1 3.38Å; I432-I436 PolarHBondContact O-N 2.88Å; F433-I436 PolarHBondContact O-N 2.99Å; H434-I436 VanDerWaalsContact C-N 3.35Å; H434-I436 PolarHBondContact O-N 2.88Å; I436-D438 VanDerWaalsContact C-N 3.32Å; I436-D438 PolarHBondContact O-N 3.29Å; I436-Q439 PolarHBondContact O-N 3.21Å; I436-V440 HydrophobicContact CG2-CG2 4.41Å; I436-V440 WeakPolarHBondContact O-CB 3.25Å; I436-V440 WeakPolarHBondContact O-CG2 3.37Å; I436-V440 PolarHBondContact O-N 3.47Å; I436-A470 WeakPolarHBondContact CG2-O 3.27Å; I436-C473 HydrophobicContact CD1-CB 4.45Å; I436-C473 HydrophobicContact CG2-CB 4.32Å; I436-Y474 HydrophobicContact CG2-CD2 4Å |
| 437 | Y | 95.6 | Very high | 93.7 | Very high | 39 Ų | 39 | 38.7 Ų | 38.7 | 15% | 0.153 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -56.2 | -46.7 | 171.8 | 162.3 | -90.1 | 0 | 0 | 0 | 111.1 | F433 H434 Q439 V440 I441 E528 Y529 V532 | F433-Y437 PolarHBondContact O-N 2.87Å; H434-Y437 WeakPolarHBondContact O-CB 3.37Å; H434-Y437 PolarHBondContact O-N 3.17Å; Y437-Q439 PolarHBondContact O-N 3.05Å; Y437-V440 WeakPolarHBondContact O-CB 3.3Å; Y437-V440 PolarHBondContact O-N 3.35Å; Y437-V440 VanDerWaalsContact O-N 3.15Å; Y437-I441 HydrophobicContact CD2-CG1 4.26Å; Y437-I441 HydrophobicContact CE1-CG1 4.04Å; Y437-I441 HydrophobicContact CE2-CD1 3.99Å; Y437-I441 HydrophobicContact CE2-CG1 3.77Å; Y437-I441 WeakPolarHBondContact O-CG1 3.24Å; Y437-I441 PolarHBondContact O-N 3.29Å; Y437-E528 HydrophobicContact CE2-CB 4.23Å; Y437-Y529 HydrophobicContact CD1-CD1 4.27Å; Y437-Y529 AromaticContact CD1-CE1 3.82Å; Y437-Y529 HydrophobicContact CD1-CE1 3.82Å; Y437-Y529 AromaticContact CD2-CD1 3.53Å; Y437-Y529 HydrophobicContact CD2-CD1 3.53Å; Y437-Y529 AromaticContact CD2-CE1 3.93Å; Y437-Y529 HydrophobicContact CD2-CE1 3.93Å; Y437-Y529 HydrophobicContact CE1-CE1 4.41Å; Y437-Y529 HydrophobicContact CE2-CD1 4.02Å; Y437-Y529 HydrophobicContact CE2-CE1 4.49Å; Y437-Y529 AromaticContact CG-CD1 3.68Å; Y437-Y529 HydrophobicContact CG-CD1 3.68Å; Y437-Y529 AromaticContact CG-CE1 3.57Å; Y437-Y529 HydrophobicContact CG-CE1 3.57Å; Y437-V532 HydrophobicContact CD2-CG2 3.63Å; Y437-V532 HydrophobicContact CE2-CG2 3.82Å |
| 438 | D | 94.7 | Very high | 93.2 | Very high | 70 Ų | 70 | 42 Ų | 42 | 37% | 0.374 | 22% | 0.218 | S | C | . | . | H | α-helix | trans | -62.5 | -41.1 | 178.8 | -67.3 | -25.4 | 0 | 0 | 0 | 111.5 | H434 W435 I436 I441 N442 | H434-D438 IonicContact CE1-OD1 2.92Å; H434-D438 PolarHBondContact CE1-OD1 3.27Å; H434-D438 VanDerWaalsContact CE1-OD1 3.24Å; H434-D438 IonicContact CE1-OD2 2.77Å; H434-D438 PolarHBondContact CE1-OD2 3.5Å; H434-D438 IonicContact ND1-OD1 3.57Å; H434-D438 PolarHBondContact ND1-OD1 3.1Å; H434-D438 IonicContact ND1-OD2 3.23Å; H434-D438 PolarHBondContact ND1-OD2 3.06Å; H434-D438 VanDerWaalsContact ND1-OD2 3.15Å; H434-D438 PolarHBondContact O-N 2.68Å; W435-D438 PolarHBondContact O-N 3.37Å; I436-D438 VanDerWaalsContact C-N 3.32Å; I436-D438 PolarHBondContact O-N 3.29Å; D438-I441 PolarHBondContact O-N 2.74Å; D438-N442 WeakPolarHBondContact O-CB 3.46Å; D438-N442 PolarHBondContact O-N 3.41Å |
| 439 | Q | 94.3 | Very high | 92.7 | Very high | 30 Ų | 30 | 46.8 Ų | 46.8 | 14% | 0.14 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -64.8 | -39.7 | 173.5 | -62.3 | -51.1 | -19.2 | 0 | 0 | 112.6 | W435 I436 Y437 I441 N442 Y443 | W435-Q439 HydrophobicContact CD2-CG 4.19Å; W435-Q439 HydrophobicContact CE3-CG 4.25Å; W435-Q439 HydrophobicContact CH2-CG 3.98Å; W435-Q439 HydrophobicContact CZ2-CG 3.91Å; W435-Q439 HydrophobicContact CZ3-CG 4.15Å; W435-Q439 WeakPolarHBondContact O-CG 3.44Å; W435-Q439 PolarHBondContact O-N 2.93Å; I436-Q439 PolarHBondContact O-N 3.21Å; Y437-Q439 PolarHBondContact O-N 3.05Å; Q439-I441 PolarHBondContact O-N 3.22Å; Q439-N442 PolarHBondContact O-N 2.91Å; Q439-N442 PolarHBondContact OE1-ND2 3.35Å; Q439-N442 VanDerWaalsContact OE1-ND2 3.16Å; Q439-Y443 HydrophobicContact CB-CD2 4.3Å; Q439-Y443 HydrophobicContact CB-CE2 3.83Å; Q439-Y443 WeakPolarHBondContact O-CD2 3.41Å; Q439-Y443 VanDerWaalsContact O-CG 3.28Å; Q439-Y443 PolarHBondContact O-N 2.92Å |
| 440 | V | 96.2 | Very high | 91.9 | Very high | 1 Ų | 1 | 47.2 Ų | 47.2 | 1% | 0.006 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -61.5 | -41.8 | 175.4 | 165.7 | 0 | 0 | 0 | 0 | 111.4 | I436 Y437 K444 L467 A470 V471 V532 L536 | I436-V440 HydrophobicContact CG2-CG2 4.41Å; I436-V440 WeakPolarHBondContact O-CB 3.25Å; I436-V440 WeakPolarHBondContact O-CG2 3.37Å; I436-V440 PolarHBondContact O-N 3.47Å; Y437-V440 WeakPolarHBondContact O-CB 3.3Å; Y437-V440 PolarHBondContact O-N 3.35Å; Y437-V440 VanDerWaalsContact O-N 3.15Å; V440-K444 WeakPolarHBondContact O-CB 3.41Å; V440-K444 PolarHBondContact O-N 3Å; V440-K444 VanDerWaalsContact O-N 3.12Å; V440-L467 HydrophobicContact CB-CD1 4.41Å; V440-L467 HydrophobicContact CG1-CD1 4.02Å; V440-L467 WeakPolarHBondContact O-CD1 3.19Å; V440-A470 HydrophobicContact CG2-CB 3.72Å; V440-V471 HydrophobicContact CG1-CG2 4.38Å; V440-V471 HydrophobicContact CG2-CG2 4.14Å; V440-V532 HydrophobicContact CG1-CG1 4.01Å; V440-L536 HydrophobicContact CG1-CD1 3.77Å |
| 441 | I | 95 | Very high | 90.8 | Very high | 48 Ų | 48 | 49.6 Ų | 49.6 | 25% | 0.246 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -68.8 | -47.1 | 174.6 | -61.4 | -56.9 | 0 | 0 | 0 | 111 | Y437 D438 Q439 Y443 K444 E445 | Y437-I441 HydrophobicContact CD2-CG1 4.26Å; Y437-I441 HydrophobicContact CE1-CG1 4.04Å; Y437-I441 HydrophobicContact CE2-CD1 3.99Å; Y437-I441 HydrophobicContact CE2-CG1 3.77Å; Y437-I441 WeakPolarHBondContact O-CG1 3.24Å; Y437-I441 PolarHBondContact O-N 3.29Å; D438-I441 PolarHBondContact O-N 2.74Å; Q439-I441 PolarHBondContact O-N 3.22Å; I441-Y443 PolarHBondContact O-N 3.39Å; I441-K444 WeakPolarHBondContact O-CB 3.17Å; I441-K444 PolarHBondContact O-N 3.46Å; I441-K444 VanDerWaalsContact O-N 3.14Å; I441-E445 HydrophobicContact CG2-CG 4.5Å; I441-E445 PolarHBondContact O-N 2.83Å |
| 442 | N | 93.2 | Very high | 89.5 | Confident | 61 Ų | 61 | 56.2 Ų | 56.2 | 33% | 0.326 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -54.6 | -51.1 | 178.5 | 178.4 | 22.4 | 0 | 0 | 0 | 112.4 | D438 Q439 K444 E445 H446 | D438-N442 WeakPolarHBondContact O-CB 3.46Å; D438-N442 PolarHBondContact O-N 3.41Å; Q439-N442 PolarHBondContact O-N 2.91Å; Q439-N442 PolarHBondContact OE1-ND2 3.35Å; Q439-N442 VanDerWaalsContact OE1-ND2 3.16Å; N442-K444 VanDerWaalsContact C-N 3.34Å; N442-K444 PolarHBondContact O-N 3Å; N442-E445 PolarHBondContact O-N 3.47Å; N442-H446 PolarHBondContact O-N 3.18Å; N442-H446 PolarHBondContact O-ND1 3.27Å; N442-H446 PolarHBondContact OD1-CE1 2.53Å; N442-H446 PolarHBondContact OD1-ND1 3.39Å |
| 443 | Y | 93 | Very high | 88 | Confident | 5 Ų | 5 | 58.2 Ų | 58.2 | 2% | 0.02 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -70 | -31.1 | 178.1 | -58 | -42.9 | 0 | 0 | 0 | 112.8 | E400 L404 Q439 I441 H446 L447 R466 A470 | E400-Y443 WeakPolarHBondContact CG-OH 3.33Å; E400-Y443 PolarHBondContact OE1-OH 2.89Å; L404-Y443 HydrophobicContact CD1-CE2 4.18Å; Q439-Y443 HydrophobicContact CB-CD2 4.3Å; Q439-Y443 HydrophobicContact CB-CE2 3.83Å; Q439-Y443 WeakPolarHBondContact O-CD2 3.41Å; Q439-Y443 VanDerWaalsContact O-CG 3.28Å; Q439-Y443 PolarHBondContact O-N 2.92Å; I441-Y443 PolarHBondContact O-N 3.39Å; Y443-H446 PolarHBondContact O-N 3.08Å; Y443-L447 WeakPolarHBondContact O-CB 3.5Å; Y443-L447 PolarHBondContact O-N 3.45Å; Y443-R466 HydrophobicContact CD1-CB 3.83Å; Y443-R466 VanDerWaalsContact CD2-C 3.49Å; Y443-R466 HydrophobicContact CD2-CB 3.84Å; Y443-R466 WeakPolarHBondContact CD2-O 3.45Å; Y443-R466 HydrophobicContact CE1-CB 3.69Å; Y443-R466 VanDerWaalsContact CE1-CD 3.48Å; Y443-R466 HydrophobicContact CE1-CG 4.24Å; Y443-R466 HydrophobicContact CE2-CB 3.7Å; Y443-R466 HydrophobicContact CG-CB 3.9Å; Y443-A470 HydrophobicContact CD2-CB 4.05Å; Y443-A470 HydrophobicContact CE2-CB 4.03Å |
| 444 | K | 91.9 | Very high | 86.7 | Confident | 37 Ų | 37 | 58.7 Ų | 58.7 | 16% | 0.161 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -61.7 | -44.9 | 171.7 | -179.4 | -173 | 178.9 | 172.6 | 0 | 111.1 | V440 I441 N442 L447 V448 L467 L536 D539 | V440-K444 WeakPolarHBondContact O-CB 3.41Å; V440-K444 PolarHBondContact O-N 3Å; V440-K444 VanDerWaalsContact O-N 3.12Å; I441-K444 WeakPolarHBondContact O-CB 3.17Å; I441-K444 PolarHBondContact O-N 3.46Å; I441-K444 VanDerWaalsContact O-N 3.14Å; N442-K444 VanDerWaalsContact C-N 3.34Å; N442-K444 PolarHBondContact O-N 3Å; K444-L447 PolarHBondContact O-N 3.45Å; K444-V448 VanDerWaalsContact O-CG2 3.27Å; K444-V448 WeakPolarHBondContact O-CG2 3.41Å; K444-V448 PolarHBondContact O-N 2.92Å; K444-L467 HydrophobicContact CB-CD2 4.46Å; K444-L536 HydrophobicContact CB-CD2 4.49Å; K444-L536 HydrophobicContact CD-CD2 3.94Å; K444-L536 HydrophobicContact CG-CD2 4.29Å; K444-D539 WeakPolarHBondContact CE-OD2 3.49Å; K444-D539 IonicContact NZ-OD2 3.6Å; K444-D539 PolarHBondContact NZ-OD2 2.87Å |
| 445 | E | 90.6 | Very high | 85.3 | Confident | 123 Ų | 123 | 56.3 Ų | 56.3 | 58% | 0.575 | 29% | 0.289 | S | S | * | . | H | α-helix | trans | -67.6 | -40 | 178.2 | -69.5 | -172.1 | 173.1 | 0 | 0 | 112.1 | I441 N442 L447 V448 T449 | I441-E445 HydrophobicContact CG2-CG 4.5Å; I441-E445 PolarHBondContact O-N 2.83Å; N442-E445 PolarHBondContact O-N 3.47Å; E445-L447 VanDerWaalsContact C-N 3.32Å; E445-L447 PolarHBondContact O-N 2.89Å; E445-V448 PolarHBondContact O-N 2.67Å; E445-T449 WeakPolarHBondContact O-CG2 3.21Å; E445-T449 PolarHBondContact O-N 3.36Å; E445-T449 PolarHBondContact O-OG1 2.83Å |
| 446 | H | 87.8 | Confident | 84.1 | Confident | 94 Ų | 94 | 59.1 Ų | 59.1 | 44% | 0.435 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -59.6 | -39.9 | 169.7 | -79.4 | 90.5 | 0 | 0 | 0 | 112.6 | N442 Y443 T449 N450 A463 | N442-H446 PolarHBondContact O-N 3.18Å; N442-H446 PolarHBondContact O-ND1 3.27Å; N442-H446 PolarHBondContact OD1-CE1 2.53Å; N442-H446 PolarHBondContact OD1-ND1 3.39Å; Y443-H446 PolarHBondContact O-N 3.08Å; H446-T449 WeakPolarHBondContact CA-OG1 3.48Å; H446-T449 PolarHBondContact O-OG1 3.27Å; H446-N450 WeakPolarHBondContact O-CB 3.27Å; H446-N450 PolarHBondContact O-N 3.02Å; H446-N450 PolarHBondContact O-ND2 3.42Å; H446-A463 HydrophobicContact CB-CB 4.05Å |
| 447 | L | 86.9 | Confident | 83.3 | Confident | 14 Ų | 14 | 60.7 Ų | 60.7 | 7% | 0.073 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -69.6 | -35.1 | 175 | -176.9 | 60.5 | 0 | 0 | 0 | 112.1 | Y443 K444 E445 K451 A460 A463 A464 L467 F544 M545 | Y443-L447 WeakPolarHBondContact O-CB 3.5Å; Y443-L447 PolarHBondContact O-N 3.45Å; K444-L447 PolarHBondContact O-N 3.45Å; E445-L447 VanDerWaalsContact C-N 3.32Å; E445-L447 PolarHBondContact O-N 2.89Å; L447-K451 WeakPolarHBondContact O-CG 3.36Å; L447-A460 HydrophobicContact CD1-CB 4.31Å; L447-A460 WeakPolarHBondContact CD1-O 3.38Å; L447-A463 HydrophobicContact CB-CB 4.35Å; L447-A464 HydrophobicContact CD1-CB 4.21Å; L447-A464 HydrophobicContact CD2-CB 4.44Å; L447-L467 HydrophobicContact CD2-CD2 4.03Å; L447-F544 HydrophobicContact CD1-CB 4.39Å; L447-F544 HydrophobicContact CD1-CG 4.5Å; L447-M545 HydrophobicContact CD2-CE 3.62Å; L447-M545 HydrophobicContact CD2-SD 4.1Å |
| 448 | V | 83.8 | Confident | 82.5 | Confident | 71 Ų | 71 | 60.7 Ų | 60.7 | 43% | 0.43 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -67.5 | -45.6 | 176.7 | 169.3 | 0 | 0 | 0 | 0 | 112 | K444 E445 K451 | K444-V448 VanDerWaalsContact O-CG2 3.27Å; K444-V448 WeakPolarHBondContact O-CG2 3.41Å; K444-V448 PolarHBondContact O-N 2.92Å; E445-V448 PolarHBondContact O-N 2.67Å; V448-K451 WeakPolarHBondContact O-CG 3.44Å |
| 449 | T | 84.2 | Confident | 81.9 | Confident | 108 Ų | 108 | 64.7 Ų | 64.7 | 66% | 0.663 | 33% | 0.332 | S | S | * | . | H | α-helix | trans | -66.1 | -37.5 | 178.8 | 48.5 | 0 | 0 | 0 | 0 | 112.2 | E445 H446 K451 | E445-T449 WeakPolarHBondContact O-CG2 3.21Å; E445-T449 PolarHBondContact O-N 3.36Å; E445-T449 PolarHBondContact O-OG1 2.83Å; H446-T449 WeakPolarHBondContact CA-OG1 3.48Å; H446-T449 PolarHBondContact O-OG1 3.27Å; T449-K451 PolarHBondContact O-N 2.85Å |
| 450 | N | 76.8 | Confident | 81.4 | Confident | 43 Ų | 43 | 63.2 Ų | 63.2 | 23% | 0.23 | 33% | 0.325 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -88.5 | 12.3 | -176.1 | -71.5 | -81.9 | 0 | 0 | 0 | 115.3 | H446 R452 N457 A460 | H446-N450 WeakPolarHBondContact O-CB 3.27Å; H446-N450 PolarHBondContact O-N 3.02Å; H446-N450 PolarHBondContact O-ND2 3.42Å; N450-R452 PolarHBondContact O-N 2.91Å; N450-N457 PolarHBondContact O-ND2 3.42Å; N450-A460 HydrophobicContact CB-CB 4.05Å |
| 451 | K | 71.7 | Confident | 80.8 | Confident | 96 Ų | 96 | 65.5 Ų | 65.5 | 42% | 0.417 | 34% | 0.336 | S | S | . | . | trans | -59 | -15.4 | -175.3 | -72.9 | -178.8 | 171.7 | 165.3 | 0 | 116.2 | L447 V448 T449 | L447-K451 WeakPolarHBondContact O-CG 3.36Å; V448-K451 WeakPolarHBondContact O-CG 3.44Å; T449-K451 PolarHBondContact O-N 2.85Å | ||
| 452 | R | 68.6 | Low | 80.3 | Confident | 226 Ų | 226 | 66.8 Ų | 66.8 | 85% | 0.853 | 34% | 0.341 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.8 | 135.7 | 177 | -70.7 | -174.9 | 175.3 | -173.7 | -0.7 | 111.1 | N450 N457 | N450-R452 PolarHBondContact O-N 2.91Å; R452-N457 WeakPolarHBondContact O-CB 3.34Å; R452-N457 PolarHBondContact O-ND2 3.39Å |
| 453 | G | 63.9 | Low | 80.1 | Confident | 45 Ų | 45 | 64.3 Ų | 64.3 | 46% | 0.464 | 33% | 0.329 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 107.6 | -24.7 | 177.1 | 0 | 0 | 0 | 0 | 0 | 115.4 | S456 | G453-S456 PolarHBondContact O-OG 3.43Š|
| 454 | G | 67.7 | Low | 80 | Confident | 10 Ų | 10 | 64.1 Ų | 64.1 | 10% | 0.103 | 33% | 0.329 | C | S | . | . | S | Bend | trans | 64.8 | -150.3 | -173.6 | 0 | 0 | 0 | 0 | 0 | 111.9 | S456 N457 F544 | G454-S456 PolarHBondContact O-N 2.96Å; G454-N457 PolarHBondContact O-N 2.85Å; G454-F544 VanDerWaalsContact C-CE1 3.45Å; G454-F544 VanDerWaalsContact CA-CZ 3.45Å; G454-F544 WeakPolarHBondContact O-CE1 3.47Å |
| 455 | A | 65.7 | Low | 79.8 | Confident | 36 Ų | 36 | 68.4 Ų | 68.4 | 30% | 0.298 | 34% | 0.344 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -65.9 | 18.4 | -177.8 | 0 | 0 | 0 | 0 | 0 | 116.1 | I543 | A455-I543 HydrophobicContact CB-CG2 3.95Š|
| 456 | S | 68.6 | Low | 80 | Confident | 85 Ų | 85 | 65.5 Ų | 65.5 | 59% | 0.594 | 33% | 0.328 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -115 | 1 | 166.1 | 67.4 | 0 | 0 | 0 | 0 | 113.5 | G453 G454 Q458 | G453-S456 PolarHBondContact O-OG 3.43Å; G454-S456 PolarHBondContact O-N 2.96Å; S456-Q458 PolarHBondContact O-N 3.21Å |
| 457 | N | 78.4 | Confident | 80.3 | Confident | 33 Ų | 33 | 61.1 Ų | 61.1 | 18% | 0.176 | 31% | 0.308 | C | S | . | . | trans | -89 | 99.7 | 171.2 | -174.7 | -21.7 | 0 | 0 | 0 | 109.8 | N450 R452 G454 R459 A460 M461 | N450-N457 PolarHBondContact O-ND2 3.42Å; R452-N457 WeakPolarHBondContact O-CB 3.34Å; R452-N457 PolarHBondContact O-ND2 3.39Å; G454-N457 PolarHBondContact O-N 2.85Å; N457-R459 VanDerWaalsContact C-N 3.28Å; N457-R459 PolarHBondContact O-N 3.24Å; N457-R459 WeakPolarHBondContact OD1-CB 3.26Å; N457-R459 PolarHBondContact OD1-N 3.15Å; N457-A460 HydrophobicContact CB-CB 3.95Å; N457-A460 PolarHBondContact O-N 2.7Å; N457-A460 PolarHBondContact OD1-N 3.48Å; N457-A460 VanDerWaalsContact OD1-N 3.14Å; N457-M461 PolarHBondContact O-N 2.96Å; N457-M461 VanDerWaalsContact O-N 3.1Å | ||
| 458 | Q | 78.9 | Confident | 80.6 | Confident | 39 Ų | 39 | 62.2 Ų | 62.2 | 18% | 0.182 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -59.7 | -35.2 | -179.1 | -169.9 | 176.3 | -29.7 | 0 | 0 | 112.6 | Q101 V103 S456 M461 Q462 | Q101-Q458 PolarHBondContact O-NE2 3.47Å; V103-Q458 VanDerWaalsContact N-OE1 3.08Å; S456-Q458 PolarHBondContact O-N 3.21Å; Q458-M461 PolarHBondContact O-N 3.37Å; Q458-Q462 WeakPolarHBondContact O-CB 3.5Å; Q458-Q462 WeakPolarHBondContact O-CG 3.4Å; Q458-Q462 PolarHBondContact O-N 3.29Å; Q458-Q462 PolarHBondContact O-OE1 2.99Å |
| 459 | R | 82.1 | Confident | 81.2 | Confident | 153 Ų | 153 | 60.3 Ų | 60.3 | 58% | 0.577 | 30% | 0.3 | S | S | * | . | H | α-helix | trans | -68.8 | -38.4 | 177.7 | -58.6 | -176.1 | -171.1 | -164.3 | -1.4 | 112.2 | E102 N457 M461 Q462 A463 | E102-R459 IonicContact OE1-NH2 3.15Å; N457-R459 VanDerWaalsContact C-N 3.28Å; N457-R459 PolarHBondContact O-N 3.24Å; N457-R459 WeakPolarHBondContact OD1-CB 3.26Å; N457-R459 PolarHBondContact OD1-N 3.15Å; R459-M461 VanDerWaalsContact C-N 3.34Å; R459-Q462 PolarHBondContact O-N 3.03Å; R459-A463 WeakPolarHBondContact O-CB 3.43Å; R459-A463 PolarHBondContact O-N 2.68Å |
| 460 | A | 84.4 | Confident | 81.8 | Confident | 0 Ų | 0 | 55.2 Ų | 55.2 | 0% | 0 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -65.7 | -37.1 | 173 | 0 | 0 | 0 | 0 | 0 | 111.9 | L447 N450 N457 A464 F544 | L447-A460 HydrophobicContact CD1-CB 4.31Å; L447-A460 WeakPolarHBondContact CD1-O 3.38Å; N450-A460 HydrophobicContact CB-CB 4.05Å; N457-A460 HydrophobicContact CB-CB 3.95Å; N457-A460 PolarHBondContact O-N 2.7Å; N457-A460 PolarHBondContact OD1-N 3.48Å; N457-A460 VanDerWaalsContact OD1-N 3.14Å; A460-A464 VanDerWaalsContact O-CB 3.3Å; A460-A464 WeakPolarHBondContact O-CB 3.29Å; A460-A464 PolarHBondContact O-N 2.66Å; A460-F544 HydrophobicContact CB-CD1 3.67Å; A460-F544 HydrophobicContact CB-CE1 3.51Å; A460-F544 HydrophobicContact CB-CZ 4.46Å |
| 461 | M | 83.2 | Confident | 82.7 | Confident | 48 Ų | 48 | 53.2 Ų | 53.2 | 24% | 0.236 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -69.4 | -39.7 | 174.3 | -67.2 | 176.9 | 64 | 0 | 0 | 112.5 | L350 N457 Q458 R459 A464 R465 | L350-M461 HydrophobicContact CD1-CE 3.9Å; N457-M461 PolarHBondContact O-N 2.96Å; N457-M461 VanDerWaalsContact O-N 3.1Å; Q458-M461 PolarHBondContact O-N 3.37Å; R459-M461 VanDerWaalsContact C-N 3.34Å; M461-A464 PolarHBondContact O-N 3.09Å; M461-R465 WeakPolarHBondContact O-CB 3.15Å; M461-R465 WeakPolarHBondContact O-CG 3.44Å; M461-R465 PolarHBondContact O-N 3.41Å |
| 462 | Q | 84.7 | Confident | 83.8 | Confident | 75 Ų | 75 | 48.9 Ų | 48.9 | 35% | 0.35 | 24% | 0.24 | S | C | . | . | H | α-helix | trans | -61.7 | -49.5 | 173.1 | -74.9 | 162.6 | -36.8 | 0 | 0 | 110.8 | Q458 R459 A464 R465 R466 | Q458-Q462 WeakPolarHBondContact O-CB 3.5Å; Q458-Q462 WeakPolarHBondContact O-CG 3.4Å; Q458-Q462 PolarHBondContact O-N 3.29Å; Q458-Q462 PolarHBondContact O-OE1 2.99Å; R459-Q462 PolarHBondContact O-N 3.03Å; Q462-A464 VanDerWaalsContact C-N 3.33Å; Q462-A464 PolarHBondContact O-N 3.09Å; Q462-R465 PolarHBondContact O-N 2.92Å; Q462-R466 WeakPolarHBondContact O-CG 3.29Å; Q462-R466 PolarHBondContact O-N 2.79Å |
| 463 | A | 88.9 | Confident | 85.2 | Confident | 9 Ų | 9 | 38.1 Ų | 38.1 | 7% | 0.074 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -60.3 | -40.1 | 176 | 0 | 0 | 0 | 0 | 0 | 112.6 | H446 L447 R459 L467 | H446-A463 HydrophobicContact CB-CB 4.05Å; L447-A463 HydrophobicContact CB-CB 4.35Å; R459-A463 WeakPolarHBondContact O-CB 3.43Å; R459-A463 PolarHBondContact O-N 2.68Å; A463-L467 VanDerWaalsContact O-CB 3.24Å; A463-L467 WeakPolarHBondContact O-CB 3.11Å; A463-L467 PolarHBondContact O-N 3.31Å |
| 464 | A | 90.7 | Very high | 86.7 | Confident | 2 Ų | 2 | 36.1 Ų | 36.1 | 2% | 0.017 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -63.6 | -42.6 | 175 | 0 | 0 | 0 | 0 | 0 | 112.4 | L447 A460 M461 Q462 L467 E468 F544 M545 | L447-A464 HydrophobicContact CD1-CB 4.21Å; L447-A464 HydrophobicContact CD2-CB 4.44Å; A460-A464 VanDerWaalsContact O-CB 3.3Å; A460-A464 WeakPolarHBondContact O-CB 3.29Å; A460-A464 PolarHBondContact O-N 2.66Å; M461-A464 PolarHBondContact O-N 3.09Å; Q462-A464 VanDerWaalsContact C-N 3.33Å; Q462-A464 PolarHBondContact O-N 3.09Å; A464-L467 PolarHBondContact O-N 3.02Å; A464-E468 VanDerWaalsContact O-CB 3.3Å; A464-E468 WeakPolarHBondContact O-CB 3.37Å; A464-E468 PolarHBondContact O-N 2.77Å; A464-F544 HydrophobicContact CB-CB 4.33Å; A464-F544 VanDerWaalsContact CB-O 3.24Å; A464-F544 WeakPolarHBondContact CB-O 3.35Å; A464-M545 HydrophobicContact CB-CG 4.5Å |
| 465 | R | 89.3 | Confident | 88.1 | Confident | 127 Ų | 127 | 37 Ų | 37 | 48% | 0.479 | 18% | 0.179 | S | C | . | . | H | α-helix | trans | -68.7 | -37.9 | 177 | -75.7 | 176.7 | 169.8 | -173.5 | -5.1 | 113.1 | D352 M461 Q462 E468 L469 | D352-R465 IonicContact OD1-CZ 2.88Å; D352-R465 IonicContact OD1-NH2 2.92Å; D352-R465 PolarHBondContact OD1-NH2 3.4Å; D352-R465 IonicContact OD2-CZ 4Å; D352-R465 IonicContact OD2-NE 2.77Å; D352-R465 PolarHBondContact OD2-NE 2.86Å; D352-R465 IonicContact OD2-NH2 2.71Å; D352-R465 PolarHBondContact OD2-NH2 3.12Å; M461-R465 WeakPolarHBondContact O-CB 3.15Å; M461-R465 WeakPolarHBondContact O-CG 3.44Å; M461-R465 PolarHBondContact O-N 3.41Å; Q462-R465 PolarHBondContact O-N 2.92Å; R465-E468 PolarHBondContact O-N 2.98Å; R465-L469 PolarHBondContact O-N 3.49Å |
| 466 | R | 92.9 | Very high | 89.6 | Confident | 62 Ų | 62 | 35.7 Ų | 35.7 | 23% | 0.234 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -66.8 | -40.8 | 172.8 | -64.5 | -163.3 | -166.3 | 165.8 | 9.6 | 111.7 | N398 E400 T401 Y443 Q462 E468 L469 A470 | N398-R466 PolarHBondContact OD1-NH2 3.29Å; E400-R466 WeakPolarHBondContact OE1-CD 3.47Å; E400-R466 IonicContact OE1-CZ 3.66Å; E400-R466 VanDerWaalsContact OE1-CZ 3.24Å; E400-R466 IonicContact OE1-NE 3.6Å; E400-R466 PolarHBondContact OE1-NE 3.12Å; E400-R466 IonicContact OE1-NH1 3.93Å; E400-R466 PolarHBondContact OE1-NH1 3.49Å; T401-R466 HydrophobicContact CG2-CG 3.79Å; Y443-R466 HydrophobicContact CD1-CB 3.83Å; Y443-R466 VanDerWaalsContact CD2-C 3.49Å; Y443-R466 HydrophobicContact CD2-CB 3.84Å; Y443-R466 WeakPolarHBondContact CD2-O 3.45Å; Y443-R466 HydrophobicContact CE1-CB 3.69Å; Y443-R466 VanDerWaalsContact CE1-CD 3.48Å; Y443-R466 HydrophobicContact CE1-CG 4.24Å; Y443-R466 HydrophobicContact CE2-CB 3.7Å; Y443-R466 HydrophobicContact CG-CB 3.9Å; Q462-R466 WeakPolarHBondContact O-CG 3.29Å; Q462-R466 PolarHBondContact O-N 2.79Å; R466-E468 VanDerWaalsContact C-N 3.33Å; R466-L469 PolarHBondContact O-N 3.43Å; R466-A470 WeakPolarHBondContact O-CB 3.37Å; R466-A470 PolarHBondContact O-N 3.37Å |
| 467 | L | 94.7 | Very high | 90.9 | Very high | 1 Ų | 1 | 31.7 Ų | 31.7 | 1% | 0.005 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -62.6 | -38.7 | 172.6 | 179.2 | 57.2 | 0 | 0 | 0 | 112.3 | V440 K444 L447 A463 A464 A470 V471 L536 M545 Y549 | V440-L467 HydrophobicContact CB-CD1 4.41Å; V440-L467 HydrophobicContact CG1-CD1 4.02Å; V440-L467 WeakPolarHBondContact O-CD1 3.19Å; K444-L467 HydrophobicContact CB-CD2 4.46Å; L447-L467 HydrophobicContact CD2-CD2 4.03Å; A463-L467 VanDerWaalsContact O-CB 3.24Å; A463-L467 WeakPolarHBondContact O-CB 3.11Å; A463-L467 PolarHBondContact O-N 3.31Å; A464-L467 PolarHBondContact O-N 3.02Å; L467-A470 PolarHBondContact O-N 2.93Å; L467-V471 HydrophobicContact CD1-CG2 4.14Å; L467-V471 WeakPolarHBondContact O-CB 3.48Å; L467-V471 WeakPolarHBondContact O-CG2 3.29Å; L467-V471 PolarHBondContact O-N 2.86Å; L467-L536 HydrophobicContact CD1-CD2 4.37Å; L467-L536 HydrophobicContact CD2-CD2 4.39Å; L467-M545 HydrophobicContact CD2-CE 3.7Å; L467-M545 HydrophobicContact CG-CE 4.49Å; L467-Y549 HydrophobicContact CG-CE2 4.21Å |
| 468 | E | 94.5 | Very high | 91.7 | Very high | 37 Ų | 37 | 30.2 Ų | 30.2 | 17% | 0.173 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -63 | -47.8 | 176.3 | 174.7 | 168.8 | -169.3 | 0 | 0 | 111.6 | A464 R465 R466 A470 V471 A472 S546 Y549 | A464-E468 VanDerWaalsContact O-CB 3.3Å; A464-E468 WeakPolarHBondContact O-CB 3.37Å; A464-E468 PolarHBondContact O-N 2.77Å; R465-E468 PolarHBondContact O-N 2.98Å; R466-E468 VanDerWaalsContact C-N 3.33Å; E468-A470 PolarHBondContact O-N 3.47Å; E468-V471 PolarHBondContact O-N 2.89Å; E468-A472 WeakPolarHBondContact O-CB 3.1Å; E468-A472 PolarHBondContact O-N 3.48Å; E468-S546 VanDerWaalsContact CD-OG 3.25Å; E468-S546 WeakPolarHBondContact OE1-CB 3.11Å; E468-S546 PolarHBondContact OE1-OG 3.16Å; E468-S546 PolarHBondContact OE2-OG 3.14Å; E468-Y549 HydrophobicContact CB-CD2 3.8Å; E468-Y549 HydrophobicContact CB-CG 4.37Å; E468-Y549 HydrophobicContact CG-CD2 4.06Å; E468-Y549 HydrophobicContact CG-CG 4.42Å; E468-Y549 PolarHBondContact OE1-N 3.06Å |
| 469 | L | 94.6 | Very high | 92.5 | Very high | 32 Ų | 32 | 29.9 Ų | 29.9 | 17% | 0.168 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -60.8 | -45.9 | 175.1 | -167.7 | 65.3 | 0 | 0 | 0 | 112.1 | T401 L404 W405 R465 R466 V471 A472 C473 | T401-L469 VanDerWaalsContact O-CD2 3.27Å; T401-L469 WeakPolarHBondContact O-CD2 3.13Å; L404-L469 HydrophobicContact CB-CD2 3.78Å; L404-L469 HydrophobicContact CB-CG 3.92Å; W405-L469 HydrophobicContact CB-CD1 4.36Å; W405-L469 HydrophobicContact CB-CD2 4.23Å; R465-L469 PolarHBondContact O-N 3.49Å; R466-L469 PolarHBondContact O-N 3.43Å; L469-V471 PolarHBondContact O-N 2.89Å; L469-A472 WeakPolarHBondContact O-CB 3.36Å; L469-A472 PolarHBondContact O-N 3.06Å; L469-C473 PolarHBondContact O-N 3.36Å; L469-C473 PolarHBondContact O-SG 2.83Å |
| 470 | A | 96.6 | Very high | 93.2 | Very high | 0 Ų | 0 | 22.6 Ų | 22.6 | 0% | 0 | 10% | 0.104 | C | C | . | . | H | α-helix | trans | -64.4 | -39.1 | 179.6 | 0 | 0 | 0 | 0 | 0 | 113.2 | L404 I436 V440 Y443 R466 L467 E468 A472 C473 Y474 | L404-A470 HydrophobicContact CD1-CB 4.17Å; L404-A470 HydrophobicContact CD2-CB 4.5Å; I436-A470 WeakPolarHBondContact CG2-O 3.27Å; V440-A470 HydrophobicContact CG2-CB 3.72Å; Y443-A470 HydrophobicContact CD2-CB 4.05Å; Y443-A470 HydrophobicContact CE2-CB 4.03Å; R466-A470 WeakPolarHBondContact O-CB 3.37Å; R466-A470 PolarHBondContact O-N 3.37Å; L467-A470 PolarHBondContact O-N 2.93Å; E468-A470 PolarHBondContact O-N 3.47Å; A470-A472 VanDerWaalsContact C-N 3.34Å; A470-C473 WeakPolarHBondContact O-CB 3.48Å; A470-C473 PolarHBondContact O-N 3.2Å; A470-Y474 PolarHBondContact O-N 3.1Å |
| 471 | V | 96.6 | Very high | 93.7 | Very high | 2 Ų | 2 | 22.6 Ų | 22.6 | 1% | 0.012 | 10% | 0.104 | C | C | . | . | H | α-helix | trans | -66.2 | -37.4 | 172.9 | 164.1 | 0 | 0 | 0 | 0 | 111.5 | V440 L467 E468 L469 Y474 K475 L536 Y549 D552 L553 | V440-V471 HydrophobicContact CG1-CG2 4.38Å; V440-V471 HydrophobicContact CG2-CG2 4.14Å; L467-V471 HydrophobicContact CD1-CG2 4.14Å; L467-V471 WeakPolarHBondContact O-CB 3.48Å; L467-V471 WeakPolarHBondContact O-CG2 3.29Å; L467-V471 PolarHBondContact O-N 2.86Å; E468-V471 PolarHBondContact O-N 2.89Å; L469-V471 PolarHBondContact O-N 2.89Å; V471-Y474 WeakPolarHBondContact O-CB 3.33Å; V471-Y474 PolarHBondContact O-N 3.2Å; V471-K475 PolarHBondContact O-N 3.14Å; V471-L536 HydrophobicContact CG2-CD1 3.69Å; V471-Y549 HydrophobicContact CB-CD2 4.39Å; V471-Y549 HydrophobicContact CB-CE2 3.83Å; V471-Y549 HydrophobicContact CG1-CD2 4.4Å; V471-Y549 HydrophobicContact CG1-CE2 4.02Å; V471-Y549 HydrophobicContact CG2-CE2 3.75Å; V471-D552 HydrophobicContact CG1-CB 4.41Å; V471-L553 HydrophobicContact CG1-CD2 3.74Å; V471-L553 HydrophobicContact CG1-CG 4.21Å; V471-L553 HydrophobicContact CG2-CD2 4.31Å |
| 472 | A | 95.3 | Very high | 94.2 | Very high | 5 Ų | 5 | 22 Ų | 22 | 4% | 0.041 | 10% | 0.102 | C | C | . | . | H | α-helix | trans | -65.5 | -37.9 | 175.6 | 0 | 0 | 0 | 0 | 0 | 111.9 | R408 E468 L469 A470 K475 E476 D552 | R408-A472 VanDerWaalsContact CD-CB 3.45Å; R408-A472 HydrophobicContact CG-CB 4.39Å; E468-A472 WeakPolarHBondContact O-CB 3.1Å; E468-A472 PolarHBondContact O-N 3.48Å; L469-A472 WeakPolarHBondContact O-CB 3.36Å; L469-A472 PolarHBondContact O-N 3.06Å; A470-A472 VanDerWaalsContact C-N 3.34Å; A472-K475 PolarHBondContact O-N 3.21Å; A472-E476 WeakPolarHBondContact O-CB 3.41Å; A472-E476 PolarHBondContact O-N 3.44Å; A472-D552 WeakPolarHBondContact CB-OD2 3.37Å |
| 473 | C | 97.2 | Very high | 94.5 | Very high | 0 Ų | 0 | 20.6 Ų | 20.6 | 0% | 0 | 9% | 0.093 | C | C | . | . | H | α-helix | trans | -62.5 | -44.7 | 169.8 | -56 | 0 | 0 | 0 | 0 | 112.1 | L404 M407 I436 L469 A470 K475 E476 F477 | L404-C473 HydrophobicContact CD2-CB 4.14Å; L404-C473 PolarHBondContact O-SG 2.88Å; M407-C473 HydrophobicContact SD-CB 4.42Å; I436-C473 HydrophobicContact CD1-CB 4.45Å; I436-C473 HydrophobicContact CG2-CB 4.32Å; L469-C473 PolarHBondContact O-N 3.36Å; L469-C473 PolarHBondContact O-SG 2.83Å; A470-C473 WeakPolarHBondContact O-CB 3.48Å; A470-C473 PolarHBondContact O-N 3.2Å; C473-K475 VanDerWaalsContact C-N 3.32Å; C473-K475 PolarHBondContact O-N 3.09Å; C473-E476 PolarHBondContact O-N 3.23Å; C473-F477 WeakPolarHBondContact O-CB 3.36Å; C473-F477 PolarHBondContact O-N 3.38Å |
| 474 | Y | 96.7 | Very high | 94.7 | Very high | 2 Ų | 2 | 20.2 Ų | 20.2 | 1% | 0.008 | 9% | 0.09 | C | C | . | . | H | α-helix | trans | -62 | -38.7 | 178 | -164.6 | -86.7 | 0 | 0 | 0 | 111.6 | F433 I436 A470 V471 L478 Y529 V532 F533 | F433-Y474 HydrophobicContact CD2-CE2 4.44Å; F433-Y474 AromaticContact CE1-CE2 3.76Å; F433-Y474 HydrophobicContact CE1-CE2 3.76Å; F433-Y474 AromaticContact CE1-CZ 3.9Å; F433-Y474 AromaticContact CE2-CD2 3.91Å; F433-Y474 HydrophobicContact CE2-CD2 3.91Å; F433-Y474 HydrophobicContact CE2-CE1 4.34Å; F433-Y474 AromaticContact CE2-CE2 3.71Å; F433-Y474 HydrophobicContact CE2-CE2 3.71Å; F433-Y474 HydrophobicContact CE2-CG 4.32Å; F433-Y474 AromaticContact CE2-CZ 3.96Å; F433-Y474 HydrophobicContact CZ-CD2 4.02Å; F433-Y474 AromaticContact CZ-CE1 3.92Å; F433-Y474 HydrophobicContact CZ-CE1 3.92Å; F433-Y474 AromaticContact CZ-CE2 3.33Å; F433-Y474 HydrophobicContact CZ-CE2 3.33Å; F433-Y474 AromaticContact CZ-CZ 3.29Å; F433-Y474 WeakPolarHBondContact CZ-OH 3.44Å; I436-Y474 HydrophobicContact CG2-CD2 4Å; A470-Y474 PolarHBondContact O-N 3.1Å; V471-Y474 WeakPolarHBondContact O-CB 3.33Å; V471-Y474 PolarHBondContact O-N 3.2Å; Y474-L478 HydrophobicContact CD1-CD1 4.07Å; Y474-L478 HydrophobicContact CE1-CD1 4.06Å; Y474-L478 WeakPolarHBondContact O-CG 3.49Å; Y474-L478 PolarHBondContact O-N 3.16Å; Y474-Y529 PolarHBondContact OH-O 3.06Å; Y474-V532 HydrophobicContact CE1-CG1 4.46Å; Y474-F533 AromaticContact CD1-CE2 3.91Å; Y474-F533 HydrophobicContact CD1-CE2 3.91Å; Y474-F533 AromaticContact CD1-CZ 3.66Å; Y474-F533 HydrophobicContact CD1-CZ 3.66Å; Y474-F533 HydrophobicContact CE1-CD2 4.38Å; Y474-F533 AromaticContact CE1-CE2 3.59Å; Y474-F533 HydrophobicContact CE1-CE2 3.59Å; Y474-F533 AromaticContact CE1-CZ 3.86Å; Y474-F533 HydrophobicContact CE1-CZ 3.86Å |
| 475 | K | 96.1 | Very high | 94.8 | Very high | 29 Ų | 29 | 22.6 Ų | 22.6 | 13% | 0.126 | 10% | 0.102 | C | C | . | . | H | α-helix | trans | -64.1 | -48.1 | 171 | -171.8 | -171.8 | 81.1 | 171.2 | 0 | 111.6 | V471 A472 C473 L478 T479 D552 E555 | V471-K475 PolarHBondContact O-N 3.14Å; A472-K475 PolarHBondContact O-N 3.21Å; C473-K475 VanDerWaalsContact C-N 3.32Å; C473-K475 PolarHBondContact O-N 3.09Å; K475-L478 PolarHBondContact O-N 2.96Å; K475-T479 PolarHBondContact O-N 3.37Å; K475-T479 PolarHBondContact O-OG1 3.19Å; K475-D552 HydrophobicContact CD-CB 4.27Å; K475-D552 WeakPolarHBondContact CE-OD1 3.39Å; K475-D552 IonicContact NZ-OD1 3.6Å; K475-D552 PolarHBondContact NZ-OD1 2.88Å; K475-E555 HydrophobicContact CD-CB 3.9Å; K475-E555 IonicContact NZ-OE2 2.75Å; K475-E555 PolarHBondContact NZ-OE2 3.33Å |
| 476 | E | 96.5 | Very high | 94.8 | Very high | 9 Ų | 9 | 21.4 Ų | 21.4 | 4% | 0.042 | 10% | 0.101 | C | C | . | . | H | α-helix | trans | -66.9 | -39.8 | -174.7 | -165.9 | 54.7 | -124.7 | 0 | 0 | 111.8 | R408 M411 A412 R415 A472 C473 L478 T479 C480 | R408-E476 HydrophobicContact CG-CB 4.32Å; M411-E476 HydrophobicContact CB-CG 3.98Å; A412-E476 HydrophobicContact CB-CG 4.12Å; R415-E476 IonicContact CZ-OE1 3.35Å; R415-E476 VanDerWaalsContact CZ-OE1 3.31Å; R415-E476 IonicContact CZ-OE2 3.53Å; R415-E476 IonicContact NE-OE1 3.49Å; R415-E476 PolarHBondContact NE-OE1 3.26Å; R415-E476 IonicContact NE-OE2 3.26Å; R415-E476 VanDerWaalsContact NH2-CD 3.33Å; R415-E476 IonicContact NH2-OE1 3.11Å; R415-E476 PolarHBondContact NH2-OE1 3.34Å; R415-E476 VanDerWaalsContact NH2-OE1 3.12Å; R415-E476 IonicContact NH2-OE2 2.8Å; R415-E476 PolarHBondContact NH2-OE2 3.39Å; A472-E476 WeakPolarHBondContact O-CB 3.41Å; A472-E476 PolarHBondContact O-N 3.44Å; C473-E476 PolarHBondContact O-N 3.23Å; E476-L478 PolarHBondContact O-N 2.91Å; E476-T479 CarbonylContact O-C 3.34Å; E476-T479 WeakPolarHBondContact O-CA 3.48Å; E476-T479 WeakPolarHBondContact O-CB 3.33Å; E476-T479 PolarHBondContact O-N 3.32Å; E476-C480 PolarHBondContact O-N 3.07Å |
| 477 | F | 96.9 | Very high | 94.5 | Very high | 0 Ų | 0 | 21 Ų | 21 | 0% | 0 | 11% | 0.106 | C | C | . | . | H | α-helix | trans | -55.5 | -47.4 | 172.5 | -175.7 | -80.9 | 0 | 0 | 0 | 112.3 | M407 M411 T427 L428 F433 C473 T479 C480 L481 I519 | M407-F477 HydrophobicContact CE-CB 4.23Å; M407-F477 HydrophobicContact CE-CD2 3.76Å; M407-F477 HydrophobicContact CE-CG 4.5Å; M411-F477 HydrophobicContact CE-CB 4.31Å; M411-F477 HydrophobicContact CE-CD2 4.32Å; T427-F477 WeakPolarHBondContact O-CE2 3.02Å; L428-F477 HydrophobicContact CD1-CD2 3.92Å; L428-F477 HydrophobicContact CD1-CE2 3.97Å; L428-F477 HydrophobicContact CD1-CG 4.27Å; L428-F477 HydrophobicContact CD1-CZ 4.32Å; F433-F477 HydrophobicContact CB-CE1 3.95Å; F433-F477 HydrophobicContact CB-CE2 4.15Å; F433-F477 HydrophobicContact CB-CZ 3.7Å; F433-F477 AromaticContact CD2-CD1 3.25Å; F433-F477 HydrophobicContact CD2-CD1 3.25Å; F433-F477 HydrophobicContact CD2-CD2 4.34Å; F433-F477 AromaticContact CD2-CE1 3.25Å; F433-F477 HydrophobicContact CD2-CE1 3.25Å; F433-F477 HydrophobicContact CD2-CE2 4.34Å; F433-F477 AromaticContact CD2-CG 3.83Å; F433-F477 HydrophobicContact CD2-CG 3.83Å; F433-F477 AromaticContact CD2-CZ 3.85Å; F433-F477 HydrophobicContact CD2-CZ 3.85Å; F433-F477 AromaticContact CE2-CD1 3.64Å; F433-F477 HydrophobicContact CE2-CD1 3.64Å; F433-F477 AromaticContact CE2-CE1 3.92Å; F433-F477 HydrophobicContact CE2-CE1 3.92Å; F433-F477 HydrophobicContact CE2-CG 4.38Å; F433-F477 HydrophobicContact CG-CD1 4.27Å; F433-F477 AromaticContact CG-CE1 3.83Å; F433-F477 HydrophobicContact CG-CE1 3.83Å; F433-F477 HydrophobicContact CG-CZ 4.12Å; C473-F477 WeakPolarHBondContact O-CB 3.36Å; C473-F477 PolarHBondContact O-N 3.38Å; F477-T479 VanDerWaalsContact C-N 3.29Å; F477-T479 PolarHBondContact O-N 3.43Å; F477-C480 PolarHBondContact O-N 3.32Å; F477-L481 HydrophobicContact CD1-CD1 3.72Å; F477-L481 HydrophobicContact CD1-CG 4.33Å; F477-L481 HydrophobicContact CE1-CD1 3.43Å; F477-L481 VanDerWaalsContact CE1-CD1 3.43Å; F477-L481 HydrophobicContact CE1-CG 4.22Å; F477-L481 HydrophobicContact CZ-CD1 4.39Å; F477-L481 WeakPolarHBondContact O-CG 3.2Å; F477-L481 PolarHBondContact O-N 3.38Å; F477-I519 HydrophobicContact CE1-CG2 3.96Å; F477-I519 HydrophobicContact CZ-CG2 3.91Å |
| 478 | L | 96.1 | Very high | 94.1 | Very high | 2 Ų | 2 | 23.8 Ų | 23.8 | 1% | 0.01 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -65.2 | -33.1 | 175 | -65.2 | 170.7 | 0 | 0 | 0 | 112 | F433 Y474 K475 E476 N482 F533 L559 F560 L563 | F433-L478 HydrophobicContact CE2-CD2 4.17Å; F433-L478 HydrophobicContact CE2-CG 4.33Å; F433-L478 HydrophobicContact CZ-CD2 4.33Å; Y474-L478 HydrophobicContact CD1-CD1 4.07Å; Y474-L478 HydrophobicContact CE1-CD1 4.06Å; Y474-L478 WeakPolarHBondContact O-CG 3.49Å; Y474-L478 PolarHBondContact O-N 3.16Å; K475-L478 PolarHBondContact O-N 2.96Å; E476-L478 PolarHBondContact O-N 2.91Å; L478-N482 WeakPolarHBondContact O-CB 3.43Å; L478-N482 PolarHBondContact O-N 3.39Å; L478-F533 HydrophobicContact CD1-CE2 4.03Å; L478-F533 HydrophobicContact CD1-CZ 4.29Å; L478-L559 HydrophobicContact CB-CD2 3.78Å; L478-L559 HydrophobicContact CB-CG 4.3Å; L478-F560 HydrophobicContact CD1-CB 4.29Å; L478-F560 HydrophobicContact CD1-CD2 3.99Å; L478-F560 HydrophobicContact CD2-CD2 4.48Å; L478-L563 HydrophobicContact CB-CD1 4.36Å; L478-L563 HydrophobicContact CD2-CD1 4.29Å |
| 479 | T | 95.7 | Very high | 93.5 | Very high | 33 Ų | 33 | 24.7 Ų | 24.7 | 20% | 0.202 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -69 | -41.3 | 177.5 | -48.8 | 0 | 0 | 0 | 0 | 111.5 | K475 E476 F477 N482 R483 L559 | K475-T479 PolarHBondContact O-N 3.37Å; K475-T479 PolarHBondContact O-OG1 3.19Å; E476-T479 CarbonylContact O-C 3.34Å; E476-T479 WeakPolarHBondContact O-CA 3.48Å; E476-T479 WeakPolarHBondContact O-CB 3.33Å; E476-T479 PolarHBondContact O-N 3.32Å; F477-T479 VanDerWaalsContact C-N 3.29Å; F477-T479 PolarHBondContact O-N 3.43Å; T479-N482 PolarHBondContact O-N 2.9Å; T479-R483 WeakPolarHBondContact O-CB 3.39Å; T479-R483 PolarHBondContact O-N 3.16Å; T479-L559 WeakPolarHBondContact OG1-CD2 3.23Å |
| 480 | C | 95.3 | Very high | 92.8 | Very high | 0 Ų | 0 | 26.1 Ų | 26.1 | 0% | 0 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -63.4 | -44.9 | 172.5 | -69.7 | 0 | 0 | 0 | 0 | 112.3 | M411 I424 L428 E476 F477 N482 R483 M484 | M411-C480 HydrophobicContact CE-CB 3.86Å; I424-C480 HydrophobicContact CD1-CB 4.46Å; L428-C480 HydrophobicContact CD1-CB 4.09Å; E476-C480 PolarHBondContact O-N 3.07Å; F477-C480 PolarHBondContact O-N 3.32Å; C480-N482 VanDerWaalsContact C-N 3.33Å; C480-N482 PolarHBondContact O-N 2.88Å; C480-R483 WeakPolarHBondContact O-CB 3.45Å; C480-R483 PolarHBondContact O-N 3.01Å; C480-R483 VanDerWaalsContact O-N 3.09Å; C480-M484 WeakPolarHBondContact O-CG 3.35Å; C480-M484 PolarHBondContact O-N 2.94Å |
| 481 | L | 94.7 | Very high | 92.2 | Very high | 0 Ų | 0 | 27 Ų | 27 | 0% | 0 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -59.6 | -43.2 | 174.3 | -72.1 | 174.5 | 0 | 0 | 0 | 112.1 | L428 F477 R483 M484 L485 A516 I519 I520 | L428-L481 HydrophobicContact CD1-CD2 4.18Å; L428-L481 HydrophobicContact CD1-CG 4.16Å; L428-L481 HydrophobicContact CG-CD2 4.44Å; F477-L481 HydrophobicContact CD1-CD1 3.72Å; F477-L481 HydrophobicContact CD1-CG 4.33Å; F477-L481 HydrophobicContact CE1-CD1 3.43Å; F477-L481 VanDerWaalsContact CE1-CD1 3.43Å; F477-L481 HydrophobicContact CE1-CG 4.22Å; F477-L481 HydrophobicContact CZ-CD1 4.39Å; F477-L481 WeakPolarHBondContact O-CG 3.2Å; F477-L481 PolarHBondContact O-N 3.38Å; L481-R483 VanDerWaalsContact C-N 3.29Å; L481-R483 PolarHBondContact O-N 3.06Å; L481-M484 HydrophobicContact CD2-SD 4.28Å; L481-M484 PolarHBondContact O-N 3.25Å; L481-L485 PolarHBondContact O-N 2.91Å; L481-A516 HydrophobicContact CD2-CB 4.07Å; L481-I519 HydrophobicContact CD1-CG2 3.81Å; L481-I519 HydrophobicContact CD2-CB 4Å; L481-I519 HydrophobicContact CD2-CD1 3.95Å; L481-I519 HydrophobicContact CD2-CG2 3.97Å; L481-I520 HydrophobicContact CB-CD1 4.22Å; L481-I520 HydrophobicContact CB-CG1 4.37Å; L481-I520 HydrophobicContact CD1-CG1 4.01Å |
| 482 | N | 94.3 | Very high | 91.6 | Very high | 36 Ų | 36 | 32.6 Ų | 32.6 | 19% | 0.193 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -63.1 | -35.3 | 174.8 | -171.8 | 82.6 | 0 | 0 | 0 | 112 | L478 T479 C480 L485 H486 L559 L563 | L478-N482 WeakPolarHBondContact O-CB 3.43Å; L478-N482 PolarHBondContact O-N 3.39Å; T479-N482 PolarHBondContact O-N 2.9Å; C480-N482 VanDerWaalsContact C-N 3.33Å; C480-N482 PolarHBondContact O-N 2.88Å; N482-L485 PolarHBondContact O-N 3.33Å; N482-H486 WeakPolarHBondContact O-CB 3.34Å; N482-H486 PolarHBondContact O-CD2 2.89Å; N482-H486 VanDerWaalsContact O-CD2 3.31Å; N482-H486 PolarHBondContact O-N 2.79Å; N482-L559 HydrophobicContact CB-CD1 3.92Å; N482-L563 HydrophobicContact CB-CD1 4.48Å; N482-L563 HydrophobicContact CB-CD2 4.06Å; N482-L563 WeakPolarHBondContact OD1-CD2 3.43Å |
| 483 | R | 92.2 | Very high | 90.9 | Very high | 44 Ų | 44 | 36.3 Ų | 36.3 | 17% | 0.166 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -68.2 | -35.2 | 176.4 | -175.9 | 65.2 | 177.1 | 82.6 | 8.9 | 113 | R415 F419 T479 C480 L481 H486 D491 | R415-R483 HydrophobicContact CG-CG 4.27Å; F419-R483 HydrophobicContact CD1-CG 4Å; F419-R483 HydrophobicContact CE1-CB 4.5Å; F419-R483 HydrophobicContact CE1-CG 3.99Å; F419-R483 HydrophobicContact CG-CG 4.3Å; F419-R483 HydrophobicContact CZ-CB 4.49Å; F419-R483 HydrophobicContact CZ-CG 4.27Å; T479-R483 WeakPolarHBondContact O-CB 3.39Å; T479-R483 PolarHBondContact O-N 3.16Å; C480-R483 WeakPolarHBondContact O-CB 3.45Å; C480-R483 PolarHBondContact O-N 3.01Å; C480-R483 VanDerWaalsContact O-N 3.09Å; L481-R483 VanDerWaalsContact C-N 3.29Å; L481-R483 PolarHBondContact O-N 3.06Å; R483-H486 PolarHBondContact NH1-O 3.41Å; R483-H486 CarbonylContact O-C 3.47Å; R483-H486 PolarHBondContact O-N 3.01Å; R483-D491 IonicContact CZ-OD1 3.69Å; R483-D491 IonicContact CZ-OD2 3.77Å; R483-D491 IonicContact NH1-OD1 3.95Å; R483-D491 IonicContact NH1-OD2 3.74Å; R483-D491 PolarHBondContact NH1-OD2 3.07Å; R483-D491 VanDerWaalsContact NH2-CG 3.33Å; R483-D491 IonicContact NH2-OD1 2.71Å; R483-D491 PolarHBondContact NH2-OD1 3.32Å; R483-D491 IonicContact NH2-OD2 3.61Å; R483-D491 PolarHBondContact NH2-OD2 2.65Å; R483-D491 VanDerWaalsContact NH2-OD2 3.12Å |
| 484 | M | 92.9 | Very high | 90 | Very high | 2 Ų | 2 | 39 Ų | 39 | 1% | 0.01 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -65.8 | -38.6 | 174.1 | -65.7 | 166.2 | 85 | 0 | 0 | 112.2 | F419 L428 C480 L481 Q512 V515 A516 | F419-M484 HydrophobicContact CE1-CG 3.72Å; F419-M484 HydrophobicContact CZ-CG 3.59Å; L428-M484 HydrophobicContact CD2-CE 4.14Å; L428-M484 HydrophobicContact CD2-SD 3.44Å; L428-M484 WeakPolarHBondContact CD2-SD 3.38Å; C480-M484 WeakPolarHBondContact O-CG 3.35Å; C480-M484 PolarHBondContact O-N 2.94Å; L481-M484 HydrophobicContact CD2-SD 4.28Å; L481-M484 PolarHBondContact O-N 3.25Å; M484-Q512 HydrophobicContact CE-CB 4.09Å; M484-Q512 VanDerWaalsContact CE-O 3.24Å; M484-Q512 WeakPolarHBondContact CE-O 3.41Å; M484-V515 HydrophobicContact CE-CB 4.3Å; M484-V515 HydrophobicContact CE-CG1 4.2Å; M484-A516 HydrophobicContact CB-CB 3.7Å; M484-A516 HydrophobicContact CE-CB 4.19Å; M484-A516 HydrophobicContact CG-CB 4.44Å; M484-A516 HydrophobicContact SD-CB 3.95Å |
| 485 | L | 91 | Very high | 88.8 | Confident | 52 Ų | 52 | 41.1 Ų | 41.1 | 27% | 0.272 | 24% | 0.236 | S | C | . | . | H | α-helix | trans | -73.1 | -33.3 | 175 | -61.5 | -178.5 | 0 | 0 | 0 | 112.4 | L481 N482 V487 A516 E517 I520 L563 | L481-L485 PolarHBondContact O-N 2.91Å; N482-L485 PolarHBondContact O-N 3.33Å; L485-V487 PolarHBondContact O-N 3.29Å; L485-A516 HydrophobicContact CD2-CB 3.99Å; L485-A516 HydrophobicContact CG-CB 4.27Å; L485-E517 HydrophobicContact CD2-CG 4.16Å; L485-I520 HydrophobicContact CD1-CD1 3.55Å; L485-I520 HydrophobicContact CG-CD1 4.32Å; L485-L563 HydrophobicContact CD1-CD2 4.29Å |
| 486 | H | 89.9 | Confident | 87.4 | Confident | 101 Ų | 101 | 45.7 Ų | 45.7 | 47% | 0.468 | 27% | 0.269 | S | S | . | . | S | Bend | trans | -102.7 | 72.9 | -178.7 | -68.1 | -63.6 | 0 | 0 | 0 | 112.1 | N482 R483 | N482-H486 WeakPolarHBondContact O-CB 3.34Å; N482-H486 PolarHBondContact O-CD2 2.89Å; N482-H486 VanDerWaalsContact O-CD2 3.31Å; N482-H486 PolarHBondContact O-N 2.79Å; R483-H486 PolarHBondContact NH1-O 3.41Å; R483-H486 CarbonylContact O-C 3.47Å; R483-H486 PolarHBondContact O-N 3.01Å |
| 487 | V | 87.8 | Confident | 86 | Confident | 53 Ų | 53 | 49 Ų | 49 | 32% | 0.321 | 31% | 0.306 | S | S | . | . | trans | -61.5 | 132 | 172.8 | -176.6 | 0 | 0 | 0 | 0 | 111.1 | L485 D491 K492 L509 | L485-V487 PolarHBondContact O-N 3.29Å; V487-D491 HydrophobicContact CG1-CB 3.99Å; V487-K492 HydrophobicContact CG1-CG 4.04Å; V487-L509 HydrophobicContact CG1-CD1 4.03Å; V487-L509 HydrophobicContact CG1-CD2 3.88Å; V487-L509 HydrophobicContact CG2-CD2 4.07Å | ||
| 488 | T | 86.1 | Confident | 84.7 | Confident | 60 Ų | 60 | 50.4 Ų | 50.4 | 37% | 0.368 | 31% | 0.313 | S | S | . | . | trans | -100.9 | 173 | 177.6 | 71.5 | 0 | 0 | 0 | 0 | 111.7 | A490 D491 | T488-A490 VanDerWaalsContact C-N 3.31Å; T488-A490 PolarHBondContact O-N 2.8Å; T488-D491 WeakPolarHBondContact CA-OD2 3.43Å; T488-D491 WeakPolarHBondContact CB-OD2 3.27Å; T488-D491 PolarHBondContact N-OD2 2.9Å; T488-D491 PolarHBondContact O-N 2.88Å; T488-D491 VanDerWaalsContact OG1-CG 3.29Å; T488-D491 PolarHBondContact OG1-OD2 3.25Å | ||
| 489 | G | 81.5 | Confident | 83.5 | Confident | 57 Ų | 57 | 58.8 Ų | 58.8 | 59% | 0.588 | 36% | 0.358 | S | S | * | . | H | α-helix | trans | -61.4 | -35.8 | 176.2 | 0 | 0 | 0 | 0 | 0 | 113.9 | D491 K492 | G489-D491 VanDerWaalsContact C-N 3.28Å; G489-D491 PolarHBondContact O-N 3.24Å; G489-K492 PolarHBondContact O-N 3.4Å |
| 490 | A | 80.1 | Confident | 82.7 | Confident | 62 Ų | 62 | 60 Ų | 60 | 51% | 0.512 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -71.6 | -20.4 | -177.6 | 0 | 0 | 0 | 0 | 0 | 113.8 | T488 K492 T493 | T488-A490 VanDerWaalsContact C-N 3.31Å; T488-A490 PolarHBondContact O-N 2.8Å; A490-K492 VanDerWaalsContact C-N 3.33Å; A490-T493 PolarHBondContact O-OG1 2.84Å |
| 491 | D | 82.7 | Confident | 82.3 | Confident | 19 Ų | 19 | 64.2 Ų | 64.2 | 10% | 0.102 | 39% | 0.387 | C | S | . | . | H | α-helix | trans | -81 | -19.4 | 177.3 | -46.1 | -52.9 | 0 | 0 | 0 | 112.1 | R483 V487 T488 G489 L509 | R483-D491 IonicContact CZ-OD1 3.69Å; R483-D491 IonicContact CZ-OD2 3.77Å; R483-D491 IonicContact NH1-OD1 3.95Å; R483-D491 IonicContact NH1-OD2 3.74Å; R483-D491 PolarHBondContact NH1-OD2 3.07Å; R483-D491 VanDerWaalsContact NH2-CG 3.33Å; R483-D491 IonicContact NH2-OD1 2.71Å; R483-D491 PolarHBondContact NH2-OD1 3.32Å; R483-D491 IonicContact NH2-OD2 3.61Å; R483-D491 PolarHBondContact NH2-OD2 2.65Å; R483-D491 VanDerWaalsContact NH2-OD2 3.12Å; V487-D491 HydrophobicContact CG1-CB 3.99Å; T488-D491 WeakPolarHBondContact CA-OD2 3.43Å; T488-D491 WeakPolarHBondContact CB-OD2 3.27Å; T488-D491 PolarHBondContact N-OD2 2.9Å; T488-D491 PolarHBondContact O-N 2.88Å; T488-D491 VanDerWaalsContact OG1-CG 3.29Å; T488-D491 PolarHBondContact OG1-OD2 3.25Å; G489-D491 VanDerWaalsContact C-N 3.28Å; G489-D491 PolarHBondContact O-N 3.24Å; D491-L509 HydrophobicContact CB-CD2 4.09Å |
| 492 | K | 84.2 | Confident | 81.8 | Confident | 118 Ų | 118 | 68.7 Ų | 68.7 | 51% | 0.513 | 41% | 0.408 | S | S | . | . | H | α-helix | trans | -90.6 | -17 | -179.2 | -63.1 | -171.9 | 177.3 | -164.2 | 0 | 113.6 | V487 G489 A490 Q502 L509 | V487-K492 HydrophobicContact CG1-CG 4.04Å; G489-K492 PolarHBondContact O-N 3.4Å; A490-K492 VanDerWaalsContact C-N 3.33Å; K492-Q502 PolarHBondContact O-NE2 3.12Å; K492-L509 HydrophobicContact CG-CD1 4.02Å |
| 493 | T | 82 | Confident | 81.4 | Confident | 83 Ų | 83 | 73 Ų | 73 | 51% | 0.509 | 43% | 0.431 | S | S | . | . | S | Bend | trans | -84 | 122.9 | 175.6 | 46.8 | 0 | 0 | 0 | 0 | 110.1 | A490 Q495 | A490-T493 PolarHBondContact O-OG1 2.84Å; T493-Q495 PolarHBondContact O-N 3.12Å |
| 494 | V | 77.3 | Confident | 81.1 | Confident | 56 Ų | 56 | 72.1 Ų | 72.1 | 34% | 0.339 | 44% | 0.435 | S | S | . | . | P | Polyproline II helix | trans | -53.2 | 131.1 | 166.6 | 179.1 | 0 | 0 | 0 | 0 | 108.8 | E500 V505 | V494-E500 WeakPolarHBondContact CG1-O 3.47Å; V494-V505 HydrophobicContact CG2-CG2 3.87Å |
| 495 | Q | 72.6 | Confident | 80.9 | Confident | 47 Ų | 47 | 72 Ų | 72 | 22% | 0.22 | 44% | 0.435 | C | S | . | . | P | Polyproline II helix | trans | -89 | 143.2 | -179.2 | -62.1 | -159.6 | 4.8 | 0 | 0 | 111.1 | R418 T493 G497 D498 | R418-Q495 VanDerWaalsContact CD-OE1 3.27Å; R418-Q495 VanDerWaalsContact CZ-OE1 3.23Å; T493-Q495 PolarHBondContact O-N 3.12Å; Q495-G497 PolarHBondContact O-N 2.95Å; Q495-G497 VanDerWaalsContact O-N 3.16Å; Q495-D498 PolarHBondContact O-N 3.17Å |
| 496 | P | 66.5 | Low | 80.8 | Confident | 126 Ų | 126 | 73.8 Ų | 73.8 | 82% | 0.818 | 44% | 0.442 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.8 | 120.5 | 176.4 | -22.7 | 33.4 | 0 | 0 | 0 | 111.3 | ||
| 497 | G | 65.8 | Low | 80.7 | Confident | 78 Ų | 78 | 75.9 Ų | 75.9 | 80% | 0.804 | 45% | 0.452 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 96.4 | 4.1 | 178.3 | 0 | 0 | 0 | 0 | 0 | 116.2 | Q495 | Q495-G497 PolarHBondContact O-N 2.95Å; Q495-G497 VanDerWaalsContact O-N 3.16Å |
| 498 | D | 69.7 | Low | 80.9 | Confident | 29 Ų | 29 | 75.1 Ų | 75.1 | 16% | 0.155 | 44% | 0.443 | C | S | . | . | trans | -101.5 | 126.9 | 164.4 | -69.4 | -38.3 | 0 | 0 | 0 | 108.9 | R420 Q495 E500 | R420-D498 IonicContact CZ-OD2 3.01Å; R420-D498 VanDerWaalsContact NH2-CG 3.27Å; R420-D498 IonicContact NH2-OD1 2.67Å; R420-D498 IonicContact NH2-OD2 2.65Å; R420-D498 PolarHBondContact NH2-OD2 2.65Å; Q495-D498 PolarHBondContact O-N 3.17Å; D498-E500 HydrophobicContact CB-CG 4.48Å; D498-E500 PolarHBondContact O-N 3.44Å | ||
| 499 | D | 72.2 | Confident | 81.2 | Confident | 179 Ų | 179 | 73.2 Ų | 73.2 | 96% | 0.957 | 43% | 0.431 | S | S | * | . | trans | -73.3 | 29.1 | -176.9 | -63 | -53.2 | 0 | 0 | 0 | 114.3 | ||||
| 500 | E | 79.2 | Confident | 81.7 | Confident | 57 Ų | 57 | 77.9 Ų | 77.9 | 27% | 0.266 | 43% | 0.431 | S | S | . | . | trans | -92.3 | 132.2 | -173 | -66.6 | 178.1 | 143.4 | 0 | 0 | 112.4 | R420 V494 D498 V505 R508 | R420-E500 IonicContact CZ-OE1 3.92Å; R420-E500 IonicContact CZ-OE2 3.74Å; R420-E500 IonicContact NH1-OE1 3.38Å; R420-E500 PolarHBondContact NH1-OE1 2.92Å; R420-E500 IonicContact NH1-OE2 3.7Å; R420-E500 PolarHBondContact NH1-OE2 2.55Å; R420-E500 VanDerWaalsContact NH2-CD 3.33Å; R420-E500 IonicContact NH2-OE1 3.4Å; R420-E500 PolarHBondContact NH2-OE1 3.38Å; R420-E500 IonicContact NH2-OE2 2.69Å; R420-E500 PolarHBondContact NH2-OE2 3.35Å; V494-E500 WeakPolarHBondContact CG1-O 3.47Å; D498-E500 HydrophobicContact CB-CG 4.48Å; D498-E500 PolarHBondContact O-N 3.44Å; E500-V505 HydrophobicContact CB-CG2 4.32Å; E500-R508 IonicContact OE1-NH1 3.31Å; E500-R508 PolarHBondContact OE1-NH1 3.22Å; E500-R508 IonicContact OE2-CZ 2.68Å; E500-R508 IonicContact OE2-NH1 2.72Å; E500-R508 PolarHBondContact OE2-NH1 2.98Å | ||
| 501 | T | 86.2 | Confident | 82.2 | Confident | 89 Ų | 89 | 78.1 Ų | 78.1 | 55% | 0.546 | 43% | 0.428 | S | S | . | . | trans | -72.7 | 159.1 | 168.7 | 62.3 | 0 | 0 | 0 | 0 | 111.2 | D503 G504 V505 | T501-D503 PolarHBondContact O-N 3.28Å; T501-G504 PolarHBondContact O-N 3Å; T501-G504 VanDerWaalsContact O-N 3.1Å; T501-G504 PolarHBondContact OG1-N 3.36Å; T501-G504 VanDerWaalsContact OG1-N 3.13Å; T501-V505 PolarHBondContact O-N 2.67Å | ||
| 502 | Q | 84.4 | Confident | 82.7 | Confident | 94 Ų | 94 | 77.5 Ų | 77.5 | 44% | 0.439 | 43% | 0.425 | S | S | . | . | H | α-helix | trans | -58.3 | -34.7 | 174.1 | -171.1 | 62.5 | 52.2 | 0 | 0 | 112 | K492 V505 E506 | K492-Q502 PolarHBondContact O-NE2 3.12Å; Q502-V505 WeakPolarHBondContact O-CB 3.46Å; Q502-V505 PolarHBondContact O-N 2.69Å; Q502-E506 PolarHBondContact O-N 3.4Å; Q502-E506 VanDerWaalsContact O-N 3.07Å |
| 503 | D | 85.3 | Confident | 83.1 | Confident | 127 Ų | 127 | 73.2 Ų | 73.2 | 68% | 0.679 | 41% | 0.411 | S | S | * | . | H | α-helix | trans | -67.4 | -41.8 | 175.2 | -56.5 | -42.7 | 0 | 0 | 0 | 111.6 | T501 V505 E506 E507 | T501-D503 PolarHBondContact O-N 3.28Å; D503-V505 VanDerWaalsContact C-N 3.31Å; D503-V505 PolarHBondContact O-N 3.48Å; D503-E506 PolarHBondContact O-N 2.68Å; D503-E506 VanDerWaalsContact O-N 3.14Å; D503-E507 PolarHBondContact O-N 2.78Å |
| 504 | G | 87 | Confident | 83.6 | Confident | 25 Ų | 25 | 74.5 Ų | 74.5 | 26% | 0.258 | 42% | 0.415 | S | S | . | . | H | α-helix | trans | -64.5 | -33.8 | 174.3 | 0 | 0 | 0 | 0 | 0 | 113 | T501 R508 | T501-G504 PolarHBondContact O-N 3Å; T501-G504 VanDerWaalsContact O-N 3.1Å; T501-G504 PolarHBondContact OG1-N 3.36Å; T501-G504 VanDerWaalsContact OG1-N 3.13Å; G504-R508 VanDerWaalsContact O-CB 3.3Å; G504-R508 WeakPolarHBondContact O-CB 3.43Å; G504-R508 PolarHBondContact O-N 3.28Å |
| 505 | V | 87.9 | Confident | 84.3 | Confident | 0 Ų | 0 | 75 Ų | 75 | 0% | 0 | 42% | 0.419 | C | S | . | . | H | α-helix | trans | -62.9 | -44.8 | 169.6 | 169 | 0 | 0 | 0 | 0 | 111.1 | V494 E500 T501 Q502 D503 L509 | V494-V505 HydrophobicContact CG2-CG2 3.87Å; E500-V505 HydrophobicContact CB-CG2 4.32Å; T501-V505 PolarHBondContact O-N 2.67Å; Q502-V505 WeakPolarHBondContact O-CB 3.46Å; Q502-V505 PolarHBondContact O-N 2.69Å; D503-V505 VanDerWaalsContact C-N 3.31Å; D503-V505 PolarHBondContact O-N 3.48Å; V505-L509 HydrophobicContact CG1-CD1 3.94Å; V505-L509 WeakPolarHBondContact O-CB 3.34Å; V505-L509 WeakPolarHBondContact O-CD1 3.5Å; V505-L509 WeakPolarHBondContact O-CG 3.43Å; V505-L509 PolarHBondContact O-N 3.18Å |
| 506 | E | 88.1 | Confident | 85.3 | Confident | 89 Ų | 89 | 72.8 Ų | 72.8 | 42% | 0.416 | 41% | 0.408 | S | S | . | . | H | α-helix | trans | -65.8 | -43 | 175.3 | -77.3 | -145.4 | -176.4 | 0 | 0 | 113.2 | Q502 D503 L509 R510 | Q502-E506 PolarHBondContact O-N 3.4Å; Q502-E506 VanDerWaalsContact O-N 3.07Å; D503-E506 PolarHBondContact O-N 2.68Å; D503-E506 VanDerWaalsContact O-N 3.14Å; E506-L509 PolarHBondContact O-N 2.87Å; E506-R510 VanDerWaalsContact O-CG 3.27Å; E506-R510 WeakPolarHBondContact O-CG 3.36Å; E506-R510 PolarHBondContact O-N 3.1Å; E506-R510 IonicContact OE2-CZ 3.15Å; E506-R510 IonicContact OE2-NE 2.66Å; E506-R510 IonicContact OE2-NH2 3.18Å; E506-R510 PolarHBondContact OE2-NH2 2.72Å |
| 507 | E | 88.9 | Confident | 86.5 | Confident | 146 Ų | 146 | 71.2 Ų | 71.2 | 68% | 0.682 | 39% | 0.39 | S | S | * | . | H | α-helix | trans | -63.7 | -43.9 | 178.9 | -176.7 | 166.2 | -150.4 | 0 | 0 | 111.4 | D503 L509 R510 S511 | D503-E507 PolarHBondContact O-N 2.78Å; E507-L509 PolarHBondContact O-N 2.89Å; E507-R510 PolarHBondContact O-N 3.38Å; E507-S511 WeakPolarHBondContact O-CB 3.49Å; E507-S511 PolarHBondContact O-N 2.97Å |
| 508 | R | 91.5 | Very high | 87.8 | Confident | 37 Ų | 37 | 70.5 Ų | 70.5 | 14% | 0.14 | 37% | 0.373 | C | S | . | . | H | α-helix | trans | -54.6 | -53 | 170.7 | -178.3 | -175.1 | 66.3 | -120.2 | 3.9 | 110.6 | E500 G504 R510 S511 Q512 | E500-R508 IonicContact OE1-NH1 3.31Å; E500-R508 PolarHBondContact OE1-NH1 3.22Å; E500-R508 IonicContact OE2-CZ 2.68Å; E500-R508 IonicContact OE2-NH1 2.72Å; E500-R508 PolarHBondContact OE2-NH1 2.98Å; G504-R508 VanDerWaalsContact O-CB 3.3Å; G504-R508 WeakPolarHBondContact O-CB 3.43Å; G504-R508 PolarHBondContact O-N 3.28Å; R508-R510 VanDerWaalsContact C-N 3.29Å; R508-R510 PolarHBondContact O-N 2.87Å; R508-S511 WeakPolarHBondContact O-CB 3.35Å; R508-S511 PolarHBondContact O-N 3.01Å; R508-S511 VanDerWaalsContact O-N 3.12Å; R508-Q512 HydrophobicContact CG-CG 4.27Å; R508-Q512 VanDerWaalsContact O-CG 3.26Å; R508-Q512 WeakPolarHBondContact O-CG 3.23Å; R508-Q512 PolarHBondContact O-N 3.44Å |
| 509 | L | 92.1 | Very high | 88.9 | Confident | 19 Ų | 19 | 69.7 Ų | 69.7 | 10% | 0.099 | 37% | 0.368 | C | S | . | . | H | α-helix | trans | -61.4 | -35.3 | -178 | -70.7 | 168.6 | 0 | 0 | 0 | 112.7 | V487 D491 K492 V505 E506 E507 A513 | V487-L509 HydrophobicContact CG1-CD1 4.03Å; V487-L509 HydrophobicContact CG1-CD2 3.88Å; V487-L509 HydrophobicContact CG2-CD2 4.07Å; D491-L509 HydrophobicContact CB-CD2 4.09Å; K492-L509 HydrophobicContact CG-CD1 4.02Å; V505-L509 HydrophobicContact CG1-CD1 3.94Å; V505-L509 WeakPolarHBondContact O-CB 3.34Å; V505-L509 WeakPolarHBondContact O-CD1 3.5Å; V505-L509 WeakPolarHBondContact O-CG 3.43Å; V505-L509 PolarHBondContact O-N 3.18Å; E506-L509 PolarHBondContact O-N 2.87Å; E507-L509 PolarHBondContact O-N 2.89Å; L509-A513 WeakPolarHBondContact O-CB 3.3Å; L509-A513 PolarHBondContact O-N 2.84Å |
| 510 | R | 91.5 | Very high | 89.9 | Confident | 156 Ų | 156 | 61.3 Ų | 61.3 | 59% | 0.589 | 32% | 0.323 | S | S | * | . | H | α-helix | trans | -67.4 | -44.3 | 172.7 | -68.5 | 169.9 | -165.1 | -156.2 | 8 | 111.6 | E506 E507 R508 A513 N514 | E506-R510 VanDerWaalsContact O-CG 3.27Å; E506-R510 WeakPolarHBondContact O-CG 3.36Å; E506-R510 PolarHBondContact O-N 3.1Å; E506-R510 IonicContact OE2-CZ 3.15Å; E506-R510 IonicContact OE2-NE 2.66Å; E506-R510 IonicContact OE2-NH2 3.18Å; E506-R510 PolarHBondContact OE2-NH2 2.72Å; E507-R510 PolarHBondContact O-N 3.38Å; R508-R510 VanDerWaalsContact C-N 3.29Å; R508-R510 PolarHBondContact O-N 2.87Å; R510-A513 PolarHBondContact O-N 3.36Å; R510-N514 WeakPolarHBondContact O-CB 3.44Å; R510-N514 PolarHBondContact O-N 3.16Å; R510-N514 PolarHBondContact O-ND2 2.73Å |
| 511 | S | 91.5 | Very high | 90.3 | Very high | 66 Ų | 66 | 61.3 Ų | 61.3 | 46% | 0.462 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -59.6 | -45.6 | 175.1 | -171.6 | 0 | 0 | 0 | 0 | 111.5 | E507 R508 A513 N514 V515 | E507-S511 WeakPolarHBondContact O-CB 3.49Å; E507-S511 PolarHBondContact O-N 2.97Å; R508-S511 WeakPolarHBondContact O-CB 3.35Å; R508-S511 PolarHBondContact O-N 3.01Å; R508-S511 VanDerWaalsContact O-N 3.12Å; S511-A513 PolarHBondContact O-N 3.17Å; S511-N514 PolarHBondContact O-N 2.85Å; S511-V515 WeakPolarHBondContact O-CG2 3.49Å; S511-V515 PolarHBondContact O-N 3.3Å |
| 512 | Q | 92.8 | Very high | 90.6 | Very high | 6 Ų | 6 | 60.6 Ų | 60.6 | 3% | 0.028 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -59.1 | -47.1 | 175.4 | -69.3 | -175 | -11.5 | 0 | 0 | 112.1 | S421 M484 R508 N514 V515 A516 | S421-Q512 WeakPolarHBondContact OG-CG 3.47Å; S421-Q512 PolarHBondContact OG-NE2 3.32Å; M484-Q512 HydrophobicContact CE-CB 4.09Å; M484-Q512 VanDerWaalsContact CE-O 3.24Å; M484-Q512 WeakPolarHBondContact CE-O 3.41Å; R508-Q512 HydrophobicContact CG-CG 4.27Å; R508-Q512 VanDerWaalsContact O-CG 3.26Å; R508-Q512 WeakPolarHBondContact O-CG 3.23Å; R508-Q512 PolarHBondContact O-N 3.44Å; Q512-N514 PolarHBondContact O-N 2.93Å; Q512-V515 PolarHBondContact O-N 2.95Å; Q512-A516 WeakPolarHBondContact O-CB 3.49Å; Q512-A516 PolarHBondContact O-N 3.06Å |
| 513 | A | 92.2 | Very high | 90.9 | Very high | 28 Ų | 28 | 56.1 Ų | 56.1 | 23% | 0.231 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -59.6 | -45.5 | 174.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | L509 R510 S511 V515 A516 E517 | L509-A513 WeakPolarHBondContact O-CB 3.3Å; L509-A513 PolarHBondContact O-N 2.84Å; R510-A513 PolarHBondContact O-N 3.36Å; S511-A513 PolarHBondContact O-N 3.17Å; A513-V515 PolarHBondContact O-N 2.86Å; A513-A516 PolarHBondContact O-N 3.38Å; A513-E517 WeakPolarHBondContact O-CB 3.32Å; A513-E517 WeakPolarHBondContact O-CG 3.32Å; A513-E517 PolarHBondContact O-N 3.34Å |
| 514 | N | 92.9 | Very high | 91 | Very high | 110 Ų | 110 | 50.3 Ų | 50.3 | 59% | 0.588 | 27% | 0.273 | S | S | * | . | H | α-helix | trans | -62.8 | -41.2 | 179.2 | -68.6 | -21.6 | 0 | 0 | 0 | 113 | R510 S511 Q512 E517 S518 | R510-N514 WeakPolarHBondContact O-CB 3.44Å; R510-N514 PolarHBondContact O-N 3.16Å; R510-N514 PolarHBondContact O-ND2 2.73Å; S511-N514 PolarHBondContact O-N 2.85Å; Q512-N514 PolarHBondContact O-N 2.93Å; N514-E517 PolarHBondContact O-N 3.03Å; N514-S518 WeakPolarHBondContact O-CB 2.95Å; N514-S518 PolarHBondContact O-N 3.28Å |
| 515 | V | 93.1 | Very high | 91 | Very high | 68 Ų | 68 | 52.8 Ų | 52.8 | 41% | 0.412 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -64.5 | -46 | 175.4 | 169.6 | 0 | 0 | 0 | 0 | 110.5 | M484 S511 Q512 A513 S518 I519 | M484-V515 HydrophobicContact CE-CB 4.3Å; M484-V515 HydrophobicContact CE-CG1 4.2Å; S511-V515 WeakPolarHBondContact O-CG2 3.49Å; S511-V515 PolarHBondContact O-N 3.3Å; Q512-V515 PolarHBondContact O-N 2.95Å; A513-V515 PolarHBondContact O-N 2.86Å; V515-S518 PolarHBondContact O-N 3.01Å; V515-I519 HydrophobicContact CG1-CD1 3.7Å; V515-I519 HydrophobicContact CG1-CG1 4.48Å; V515-I519 WeakPolarHBondContact O-CG1 3.43Å; V515-I519 PolarHBondContact O-N 3.48Å |
| 516 | A | 93.1 | Very high | 91 | Very high | 0 Ų | 0 | 54.4 Ų | 54.4 | 0% | 0 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -62.9 | -43.4 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | L481 M484 L485 Q512 A513 S518 I519 I520 | L481-A516 HydrophobicContact CD2-CB 4.07Å; M484-A516 HydrophobicContact CB-CB 3.7Å; M484-A516 HydrophobicContact CE-CB 4.19Å; M484-A516 HydrophobicContact CG-CB 4.44Å; M484-A516 HydrophobicContact SD-CB 3.95Å; L485-A516 HydrophobicContact CD2-CB 3.99Å; L485-A516 HydrophobicContact CG-CB 4.27Å; Q512-A516 WeakPolarHBondContact O-CB 3.49Å; Q512-A516 PolarHBondContact O-N 3.06Å; A513-A516 PolarHBondContact O-N 3.38Å; A516-S518 VanDerWaalsContact C-N 3.31Å; A516-S518 PolarHBondContact O-N 2.92Å; A516-I519 PolarHBondContact O-N 3.45Å; A516-I520 VanDerWaalsContact O-CB 3.31Å; A516-I520 WeakPolarHBondContact O-CB 3.47Å; A516-I520 WeakPolarHBondContact O-CD1 3.32Å; A516-I520 WeakPolarHBondContact O-CG1 3.05Å; A516-I520 PolarHBondContact O-N 3.45Å |
| 517 | E | 91.7 | Very high | 90.9 | Very high | 92 Ų | 92 | 50.7 Ų | 50.7 | 43% | 0.43 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -54.7 | -45.5 | 174.2 | -74.9 | -98.2 | 117.6 | 0 | 0 | 111.8 | L485 A513 N514 A521 K567 | L485-E517 HydrophobicContact CD2-CG 4.16Å; A513-E517 WeakPolarHBondContact O-CB 3.32Å; A513-E517 WeakPolarHBondContact O-CG 3.32Å; A513-E517 PolarHBondContact O-N 3.34Å; N514-E517 PolarHBondContact O-N 3.03Å; E517-A521 WeakPolarHBondContact O-CB 3.48Å; E517-A521 PolarHBondContact O-N 3.38Å; E517-K567 IonicContact OE1-NZ 3.25Å; E517-K567 PolarHBondContact OE1-NZ 3.42Å; E517-K567 IonicContact OE2-NZ 2.92Å; E517-K567 PolarHBondContact OE2-NZ 2.89Å |
| 518 | S | 92.8 | Very high | 90.9 | Very high | 64 Ų | 64 | 46.2 Ų | 46.2 | 45% | 0.448 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -67.4 | -48.5 | 179.7 | -179.4 | 0 | 0 | 0 | 0 | 112.4 | N514 V515 A516 I520 A521 N522 | N514-S518 WeakPolarHBondContact O-CB 2.95Å; N514-S518 PolarHBondContact O-N 3.28Å; V515-S518 PolarHBondContact O-N 3.01Å; A516-S518 VanDerWaalsContact C-N 3.31Å; A516-S518 PolarHBondContact O-N 2.92Å; S518-I520 VanDerWaalsContact C-N 3.34Å; S518-I520 PolarHBondContact O-N 3.44Å; S518-A521 PolarHBondContact O-N 3.17Å; S518-N522 PolarHBondContact O-N 2.95Å; S518-N522 PolarHBondContact O-ND2 3.01Å |
| 519 | I | 93.4 | Very high | 91 | Very high | 11 Ų | 11 | 45 Ų | 45 | 6% | 0.056 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -60.2 | -45.6 | 177.1 | -64.5 | 162.6 | 0 | 0 | 0 | 110.1 | L428 V430 F477 L481 V515 A516 A521 N522 V523 | L428-I519 WeakPolarHBondContact O-CD1 3.3Å; V430-I519 HydrophobicContact CG2-CB 4.45Å; V430-I519 HydrophobicContact CG2-CG1 4.27Å; V430-I519 HydrophobicContact CG2-CG2 4.19Å; F477-I519 HydrophobicContact CE1-CG2 3.96Å; F477-I519 HydrophobicContact CZ-CG2 3.91Å; L481-I519 HydrophobicContact CD1-CG2 3.81Å; L481-I519 HydrophobicContact CD2-CB 4Å; L481-I519 HydrophobicContact CD2-CD1 3.95Å; L481-I519 HydrophobicContact CD2-CG2 3.97Å; V515-I519 HydrophobicContact CG1-CD1 3.7Å; V515-I519 HydrophobicContact CG1-CG1 4.48Å; V515-I519 WeakPolarHBondContact O-CG1 3.43Å; V515-I519 PolarHBondContact O-N 3.48Å; A516-I519 PolarHBondContact O-N 3.45Å; I519-A521 VanDerWaalsContact C-N 3.34Å; I519-A521 PolarHBondContact O-N 3.44Å; I519-N522 PolarHBondContact O-N 3.39Å; I519-V523 HydrophobicContact CG2-CG2 4.23Å; I519-V523 WeakPolarHBondContact O-CB 3.48Å; I519-V523 VanDerWaalsContact O-CG2 3.3Å; I519-V523 WeakPolarHBondContact O-CG2 3.45Å; I519-V523 PolarHBondContact O-N 3.28Å |
| 520 | I | 91.9 | Very high | 90.9 | Very high | 4 Ų | 4 | 44.2 Ų | 44.2 | 2% | 0.021 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -62.2 | -39.6 | 178.4 | -70.7 | 167.1 | 0 | 0 | 0 | 111.7 | L481 L485 A516 S518 V523 F524 L563 K567 | L481-I520 HydrophobicContact CB-CD1 4.22Å; L481-I520 HydrophobicContact CB-CG1 4.37Å; L481-I520 HydrophobicContact CD1-CG1 4.01Å; L485-I520 HydrophobicContact CD1-CD1 3.55Å; L485-I520 HydrophobicContact CG-CD1 4.32Å; A516-I520 VanDerWaalsContact O-CB 3.31Å; A516-I520 WeakPolarHBondContact O-CB 3.47Å; A516-I520 WeakPolarHBondContact O-CD1 3.32Å; A516-I520 WeakPolarHBondContact O-CG1 3.05Å; A516-I520 PolarHBondContact O-N 3.45Å; S518-I520 VanDerWaalsContact C-N 3.34Å; S518-I520 PolarHBondContact O-N 3.44Å; I520-V523 PolarHBondContact O-N 3.31Å; I520-F524 HydrophobicContact CG2-CD2 3.57Å; I520-F524 HydrophobicContact CG2-CE2 3.34Å; I520-F524 HydrophobicContact CG2-CZ 4.15Å; I520-F524 PolarHBondContact O-N 3.08Å; I520-L563 HydrophobicContact CD1-CD2 4.28Å; I520-K567 HydrophobicContact CG2-CD 4.47Å; I520-K567 HydrophobicContact CG2-CG 3.97Å |
| 521 | A | 88.5 | Confident | 90.8 | Very high | 56 Ų | 56 | 39.7 Ų | 39.7 | 46% | 0.463 | 23% | 0.226 | S | C | . | . | H | α-helix | trans | -62.6 | -45.9 | 176.4 | 0 | 0 | 0 | 0 | 0 | 111.6 | E517 S518 I519 F524 Y525 | E517-A521 WeakPolarHBondContact O-CB 3.48Å; E517-A521 PolarHBondContact O-N 3.38Å; S518-A521 PolarHBondContact O-N 3.17Å; I519-A521 VanDerWaalsContact C-N 3.34Å; I519-A521 PolarHBondContact O-N 3.44Å; A521-F524 PolarHBondContact O-N 3.28Å; A521-Y525 WeakPolarHBondContact O-CB 3.37Å; A521-Y525 PolarHBondContact O-N 2.81Å |
| 522 | N | 91.2 | Very high | 90.9 | Very high | 74 Ų | 74 | 36.9 Ų | 36.9 | 40% | 0.396 | 21% | 0.206 | S | C | . | . | H | α-helix | trans | -64.8 | -40 | 177 | -69.9 | -48 | 0 | 0 | 0 | 112.5 | V430 S518 I519 Y525 | V430-N522 HydrophobicContact CG1-CB 4.31Å; V430-N522 HydrophobicContact CG2-CB 3.94Å; S518-N522 PolarHBondContact O-N 2.95Å; S518-N522 PolarHBondContact O-ND2 3.01Å; I519-N522 PolarHBondContact O-N 3.39Å; N522-Y525 PolarHBondContact O-N 3.01Å |
| 523 | V | 90.6 | Very high | 91.1 | Very high | 1 Ų | 1 | 36.8 Ų | 36.8 | 1% | 0.006 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -64.7 | -43.8 | 176.4 | 165.7 | 0 | 0 | 0 | 0 | 111.7 | F433 I519 I520 Y529 F560 | F433-V523 HydrophobicContact CD1-CG1 4.31Å; F433-V523 HydrophobicContact CD1-CG2 3.64Å; F433-V523 HydrophobicContact CE1-CB 4.31Å; F433-V523 HydrophobicContact CE1-CG1 3.59Å; F433-V523 HydrophobicContact CE1-CG2 3.79Å; F433-V523 HydrophobicContact CG-CG2 4.07Å; F433-V523 HydrophobicContact CZ-CG1 3.83Å; F433-V523 HydrophobicContact CZ-CG2 4.33Å; I519-V523 HydrophobicContact CG2-CG2 4.23Å; I519-V523 WeakPolarHBondContact O-CB 3.48Å; I519-V523 VanDerWaalsContact O-CG2 3.3Å; I519-V523 WeakPolarHBondContact O-CG2 3.45Å; I519-V523 PolarHBondContact O-N 3.28Å; I520-V523 PolarHBondContact O-N 3.31Å; V523-Y529 HydrophobicContact CG1-CD2 4.2Å; V523-Y529 WeakPolarHBondContact O-CD2 3.4Å; V523-F560 HydrophobicContact CG1-CE2 4.44Å |
| 524 | F | 89 | Confident | 91.1 | Very high | 4 Ų | 4 | 35.9 Ų | 35.9 | 2% | 0.018 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -77.8 | -20.2 | 179.8 | -65.7 | -31 | 0 | 0 | 0 | 114.3 | I520 A521 V526 Q530 F560 L563 L564 K567 V577 | I520-F524 HydrophobicContact CG2-CD2 3.57Å; I520-F524 HydrophobicContact CG2-CE2 3.34Å; I520-F524 HydrophobicContact CG2-CZ 4.15Å; I520-F524 PolarHBondContact O-N 3.08Å; A521-F524 PolarHBondContact O-N 3.28Å; F524-V526 VanDerWaalsContact C-N 3.27Å; F524-V526 PolarHBondContact O-N 3.36Å; F524-Q530 PolarHBondContact O-NE2 3.48Å; F524-F560 HydrophobicContact CD1-CE1 4.42Å; F524-F560 HydrophobicContact CD1-CE2 4.18Å; F524-F560 AromaticContact CD1-CZ 3.89Å; F524-F560 HydrophobicContact CD1-CZ 3.89Å; F524-F560 HydrophobicContact CE1-CD1 4.38Å; F524-F560 HydrophobicContact CE1-CD2 4.09Å; F524-F560 HydrophobicContact CE1-CE1 4.04Å; F524-F560 AromaticContact CE1-CE2 3.74Å; F524-F560 HydrophobicContact CE1-CE2 3.74Å; F524-F560 HydrophobicContact CE1-CG 4.41Å; F524-F560 AromaticContact CE1-CZ 3.71Å; F524-F560 HydrophobicContact CE1-CZ 3.71Å; F524-L563 HydrophobicContact CE2-CB 4.27Å; F524-L563 HydrophobicContact CZ-CB 3.77Å; F524-L564 HydrophobicContact CB-CD1 4.26Å; F524-L564 HydrophobicContact CD1-CD1 4.01Å; F524-L564 HydrophobicContact CD2-CD1 3.77Å; F524-L564 HydrophobicContact CE1-CB 4.08Å; F524-L564 HydrophobicContact CE1-CD1 4.27Å; F524-L564 VanDerWaalsContact CE2-CA 3.48Å; F524-L564 HydrophobicContact CE2-CB 4.03Å; F524-L564 HydrophobicContact CE2-CD1 4.04Å; F524-L564 HydrophobicContact CG-CD1 3.77Å; F524-L564 HydrophobicContact CZ-CB 3.75Å; F524-L564 HydrophobicContact CZ-CD1 4.29Å; F524-L564 VanDerWaalsContact CZ-N 3.34Å; F524-K567 HydrophobicContact CD2-CG 4.45Å; F524-K567 HydrophobicContact CE2-CG 4.28Å; F524-V577 WeakPolarHBondContact O-CG2 3.14Å |
| 525 | Y | 86.4 | Confident | 91.2 | Very high | 78 Ų | 78 | 31.9 Ų | 31.9 | 31% | 0.306 | 18% | 0.176 | S | C | . | . | H | α-helix | trans | -65.3 | -28.4 | 172.5 | 179.2 | -106 | 0 | 0 | 0 | 112.9 | A521 N522 I576 V577 K578 E781 | A521-Y525 WeakPolarHBondContact O-CB 3.37Å; A521-Y525 PolarHBondContact O-N 2.81Å; N522-Y525 PolarHBondContact O-N 3.01Å; Y525-I576 WeakPolarHBondContact CD2-O 3.4Å; Y525-V577 CarbonylContact O-C 2.94Å; Y525-V577 WeakPolarHBondContact O-CA 3.46Å; Y525-V577 WeakPolarHBondContact O-CG1 3.45Å; Y525-K578 HydrophobicContact CD1-CB 4.07Å; Y525-K578 HydrophobicContact CD2-CB 4.5Å; Y525-K578 HydrophobicContact CE1-CB 3.63Å; Y525-K578 HydrophobicContact CE1-CD 3.62Å; Y525-K578 HydrophobicContact CE1-CG 4.26Å; Y525-K578 HydrophobicContact CE2-CB 4.1Å; Y525-K578 HydrophobicContact CG-CB 4.49Å; Y525-K578 WeakPolarHBondContact O-CB 3.38Å; Y525-K578 PolarHBondContact O-N 3.03Å; Y525-E781 HydrophobicContact CE2-CG 4.48Å; Y525-E781 VanDerWaalsContact CE2-OE1 3.31Å; Y525-E781 WeakPolarHBondContact CE2-OE1 3.43Å; Y525-E781 PolarHBondContact OH-OE1 3.49Å |
| 526 | V | 87.1 | Confident | 91.3 | Very high | 34 Ų | 34 | 29 Ų | 29 | 21% | 0.206 | 16% | 0.158 | C | C | . | . | B | Isolated β-bridge | trans | -83.7 | 123.7 | 176.4 | 179.1 | 0 | 0 | 0 | 0 | 110.2 | F524 E528 Y529 | F524-V526 VanDerWaalsContact C-N 3.27Å; F524-V526 PolarHBondContact O-N 3.36Å; V526-E528 HydrophobicContact CG1-CB 4.1Å; V526-E528 WeakPolarHBondContact CG1-OE2 3.49Å; V526-Y529 HydrophobicContact CB-CD2 3.62Å; V526-Y529 HydrophobicContact CB-CE2 3.66Å; V526-Y529 HydrophobicContact CB-CG 4.14Å; V526-Y529 HydrophobicContact CG1-CD1 3.99Å; V526-Y529 HydrophobicContact CG1-CD2 3.87Å; V526-Y529 HydrophobicContact CG1-CE1 3.97Å; V526-Y529 HydrophobicContact CG1-CE2 3.85Å; V526-Y529 HydrophobicContact CG1-CG 3.93Å; V526-Y529 HydrophobicContact CG2-CD2 4.26Å; V526-Y529 HydrophobicContact CG2-CE2 3.8Å |
| 527 | A | 86.3 | Confident | 91.4 | Very high | 11 Ų | 11 | 29 Ų | 29 | 9% | 0.091 | 16% | 0.158 | C | C | . | . | S | Bend | trans | -69.6 | -40.8 | -179.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | Y529 Q530 V577 K578 R579 | A527-Y529 VanDerWaalsContact C-N 3.26Å; A527-Y529 PolarHBondContact O-N 2.97Å; A527-Q530 VanDerWaalsContact O-CB 3.27Å; A527-Q530 WeakPolarHBondContact O-CB 3.15Å; A527-Q530 PolarHBondContact O-N 2.97Å; A527-V577 HydrophobicContact CB-CG1 3.76Å; A527-K578 WeakPolarHBondContact CB-O 3.47Å; A527-K578 PolarHBondContact N-O 3.47Å; A527-R579 HydrophobicContact CB-CG 3.86Å |
| 528 | E | 89.3 | Confident | 91.4 | Very high | 51 Ų | 51 | 28.2 Ų | 28.2 | 24% | 0.238 | 15% | 0.151 | C | C | . | . | G | 310 helix | trans | -55.6 | -37.5 | -173.6 | -67.4 | 92.1 | 139.1 | 0 | 0 | 112.9 | Y437 V526 Q530 E531 R580 | Y437-E528 HydrophobicContact CE2-CB 4.23Å; V526-E528 HydrophobicContact CG1-CB 4.1Å; V526-E528 WeakPolarHBondContact CG1-OE2 3.49Å; E528-Q530 PolarHBondContact O-N 3.18Å; E528-E531 WeakPolarHBondContact O-CB 3.43Å; E528-E531 PolarHBondContact O-N 3.42Å; E528-E531 VanDerWaalsContact O-N 3.12Å; E528-R580 WeakPolarHBondContact OE1-CD 3.45Å; E528-R580 IonicContact OE1-CZ 2.94Å; E528-R580 IonicContact OE1-NE 3.61Å; E528-R580 IonicContact OE1-NH1 3.94Å; E528-R580 PolarHBondContact OE1-NH1 3.12Å |
| 529 | Y | 93 | Very high | 91.4 | Very high | 12 Ų | 12 | 27.2 Ų | 27.2 | 5% | 0.047 | 14% | 0.141 | C | C | . | . | G | 310 helix | trans | -66.3 | -24.6 | 179.2 | -58.1 | -18.8 | 0 | 0 | 0 | 113.6 | F433 H434 Y437 Y474 V523 V526 A527 E531 V532 | F433-Y529 AromaticContact CD1-CD2 3.93Å; F433-Y529 HydrophobicContact CD1-CD2 3.93Å; F433-Y529 AromaticContact CD1-CE2 3.78Å; F433-Y529 HydrophobicContact CD1-CE2 3.78Å; F433-Y529 HydrophobicContact CD1-CG 4.47Å; F433-Y529 HydrophobicContact CE1-CD1 4.47Å; F433-Y529 AromaticContact CE1-CD2 3.59Å; F433-Y529 HydrophobicContact CE1-CD2 3.59Å; F433-Y529 AromaticContact CE1-CE2 3.96Å; F433-Y529 HydrophobicContact CE1-CE2 3.96Å; F433-Y529 AromaticContact CE1-CG 3.89Å; F433-Y529 HydrophobicContact CE1-CG 3.89Å; H434-Y529 WeakPolarHBondContact CB-OH 3.5Å; Y437-Y529 HydrophobicContact CD1-CD1 4.27Å; Y437-Y529 AromaticContact CD1-CE1 3.82Å; Y437-Y529 HydrophobicContact CD1-CE1 3.82Å; Y437-Y529 AromaticContact CD2-CD1 3.53Å; Y437-Y529 HydrophobicContact CD2-CD1 3.53Å; Y437-Y529 AromaticContact CD2-CE1 3.93Å; Y437-Y529 HydrophobicContact CD2-CE1 3.93Å; Y437-Y529 HydrophobicContact CE1-CE1 4.41Å; Y437-Y529 HydrophobicContact CE2-CD1 4.02Å; Y437-Y529 HydrophobicContact CE2-CE1 4.49Å; Y437-Y529 AromaticContact CG-CD1 3.68Å; Y437-Y529 HydrophobicContact CG-CD1 3.68Å; Y437-Y529 AromaticContact CG-CE1 3.57Å; Y437-Y529 HydrophobicContact CG-CE1 3.57Å; Y474-Y529 PolarHBondContact OH-O 3.06Å; V523-Y529 HydrophobicContact CG1-CD2 4.2Å; V523-Y529 WeakPolarHBondContact O-CD2 3.4Å; V526-Y529 HydrophobicContact CB-CD2 3.62Å; V526-Y529 HydrophobicContact CB-CE2 3.66Å; V526-Y529 HydrophobicContact CB-CG 4.14Å; V526-Y529 HydrophobicContact CG1-CD1 3.99Å; V526-Y529 HydrophobicContact CG1-CD2 3.87Å; V526-Y529 HydrophobicContact CG1-CE1 3.97Å; V526-Y529 HydrophobicContact CG1-CE2 3.85Å; V526-Y529 HydrophobicContact CG1-CG 3.93Å; V526-Y529 HydrophobicContact CG2-CD2 4.26Å; V526-Y529 HydrophobicContact CG2-CE2 3.8Å; A527-Y529 VanDerWaalsContact C-N 3.26Å; A527-Y529 PolarHBondContact O-N 2.97Å; Y529-E531 VanDerWaalsContact C-N 3.29Å; Y529-V532 WeakPolarHBondContact O-CG2 3.5Å |
| 530 | Q | 89.7 | Confident | 91.3 | Very high | 3 Ų | 3 | 28.4 Ų | 28.4 | 1% | 0.014 | 15% | 0.145 | C | C | . | . | G | 310 helix | trans | -73.8 | -25.8 | 177 | -53 | 169.3 | 13.4 | 0 | 0 | 111.1 | F524 A527 E528 V532 P534 F560 L784 F789 | F524-Q530 PolarHBondContact O-NE2 3.48Å; A527-Q530 VanDerWaalsContact O-CB 3.27Å; A527-Q530 WeakPolarHBondContact O-CB 3.15Å; A527-Q530 PolarHBondContact O-N 2.97Å; E528-Q530 PolarHBondContact O-N 3.18Å; Q530-V532 VanDerWaalsContact C-N 3.33Å; Q530-P534 WeakPolarHBondContact O-CD 3.49Å; Q530-F560 HydrophobicContact CB-CE1 4.35Å; Q530-F560 HydrophobicContact CB-CZ 4.35Å; Q530-F560 HydrophobicContact CG-CE1 4.22Å; Q530-F560 HydrophobicContact CG-CZ 3.99Å; Q530-L784 VanDerWaalsContact OE1-CD1 3.23Å; Q530-F789 HydrophobicContact CB-CD2 4.25Å; Q530-F789 HydrophobicContact CB-CE2 4.03Å; Q530-F789 WeakPolarHBondContact O-CE2 3.39Å |
| 531 | E | 90.1 | Very high | 91.1 | Very high | 60 Ų | 60 | 30.8 Ų | 30.8 | 28% | 0.28 | 16% | 0.157 | S | C | . | . | S | Bend | trans | -80.1 | -14.2 | -178 | -50.7 | -57.5 | 170.8 | 0 | 0 | 113.2 | E528 Y529 N535 K792 | E528-E531 WeakPolarHBondContact O-CB 3.43Å; E528-E531 PolarHBondContact O-N 3.42Å; E528-E531 VanDerWaalsContact O-N 3.12Å; Y529-E531 VanDerWaalsContact C-N 3.29Å; E531-N535 VanDerWaalsContact O-CB 3.24Å; E531-N535 WeakPolarHBondContact O-CB 3.31Å; E531-N535 PolarHBondContact O-N 2.87Å; E531-N535 PolarHBondContact O-ND2 2.97Å; E531-K792 IonicContact OE1-NZ 2.68Å; E531-K792 PolarHBondContact OE1-NZ 3.11Å; E531-K792 WeakPolarHBondContact OE2-CE 3.42Å; E531-K792 IonicContact OE2-NZ 3.14Å; E531-K792 PolarHBondContact OE2-NZ 3.41Å |
| 532 | V | 94.4 | Very high | 91 | Very high | 7 Ų | 7 | 30.1 Ų | 30.1 | 4% | 0.042 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -60.3 | -63.5 | -172.5 | 178.4 | 0 | 0 | 0 | 0 | 112.1 | Y437 V440 Y474 Y529 Q530 N535 L536 | Y437-V532 HydrophobicContact CD2-CG2 3.63Å; Y437-V532 HydrophobicContact CE2-CG2 3.82Å; V440-V532 HydrophobicContact CG1-CG1 4.01Å; Y474-V532 HydrophobicContact CE1-CG1 4.46Å; Y529-V532 WeakPolarHBondContact O-CG2 3.5Å; Q530-V532 VanDerWaalsContact C-N 3.33Å; V532-N535 PolarHBondContact O-N 2.98Å; V532-L536 HydrophobicContact CG1-CD1 3.68Å; V532-L536 HydrophobicContact CG1-CG 4.47Å; V532-L536 WeakPolarHBondContact O-CG 3.37Å; V532-L536 PolarHBondContact O-N 2.95Å |
| 533 | F | 95.6 | Very high | 90.7 | Very high | 4 Ų | 4 | 28.1 Ų | 28.1 | 2% | 0.018 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -62.7 | -46.5 | -174.8 | -71.7 | -67.3 | 0 | 0 | 0 | 114.3 | Y474 L478 N535 L536 L537 L553 G556 F560 F793 | Y474-F533 AromaticContact CD1-CE2 3.91Å; Y474-F533 HydrophobicContact CD1-CE2 3.91Å; Y474-F533 AromaticContact CD1-CZ 3.66Å; Y474-F533 HydrophobicContact CD1-CZ 3.66Å; Y474-F533 HydrophobicContact CE1-CD2 4.38Å; Y474-F533 AromaticContact CE1-CE2 3.59Å; Y474-F533 HydrophobicContact CE1-CE2 3.59Å; Y474-F533 AromaticContact CE1-CZ 3.86Å; Y474-F533 HydrophobicContact CE1-CZ 3.86Å; L478-F533 HydrophobicContact CD1-CE2 4.03Å; L478-F533 HydrophobicContact CD1-CZ 4.29Å; F533-N535 VanDerWaalsContact C-N 3.3Å; F533-N535 PolarHBondContact O-N 2.95Å; F533-L536 PolarHBondContact O-N 3.25Å; F533-L537 WeakPolarHBondContact O-CB 3.3Å; F533-L537 WeakPolarHBondContact O-CG 3.27Å; F533-L537 PolarHBondContact O-N 3.18Å; F533-L553 HydrophobicContact CD1-CD2 3.99Å; F533-L553 WeakPolarHBondContact CD1-O 3.45Å; F533-L553 HydrophobicContact CE1-CD2 4.37Å; F533-G556 WeakPolarHBondContact CE2-O 3.39Å; F533-F560 HydrophobicContact CD2-CB 4Å; F533-F560 HydrophobicContact CD2-CD2 4.48Å; F533-F560 HydrophobicContact CD2-CG 4.23Å; F533-F560 HydrophobicContact CE2-CB 3.82Å; F533-F560 HydrophobicContact CE2-CD2 4.23Å; F533-F560 HydrophobicContact CE2-CG 4.23Å; F533-F793 HydrophobicContact CB-CE1 4.21Å; F533-F793 HydrophobicContact CB-CZ 4.34Å |
| 534 | P | 93.3 | Very high | 90.3 | Very high | 9 Ų | 9 | 28.6 Ų | 28.6 | 6% | 0.058 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -57.8 | -42.2 | 176.8 | -22 | 30.4 | 0 | 0 | 0 | 112.7 | Q530 R538 K792 F793 | Q530-P534 WeakPolarHBondContact O-CD 3.49Å; P534-R538 VanDerWaalsContact O-CB 3.31Å; P534-R538 WeakPolarHBondContact O-CB 3.44Å; P534-R538 PolarHBondContact O-N 3.36Å; P534-K792 HydrophobicContact CB-CB 3.82Å; P534-K792 HydrophobicContact CG-CB 3.98Å; P534-K792 HydrophobicContact CG-CD 4.43Å; P534-F793 HydrophobicContact CB-CE1 4.47Å; P534-F793 HydrophobicContact CG-CD2 4.45Å; P534-F793 HydrophobicContact CG-CE1 3.94Å; P534-F793 HydrophobicContact CG-CE2 3.87Å; P534-F793 HydrophobicContact CG-CZ 3.59Å |
| 535 | N | 93.9 | Very high | 90.3 | Very high | 27 Ų | 27 | 28.7 Ų | 28.7 | 14% | 0.144 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -70.3 | -41.9 | -179.1 | -81.1 | -57.8 | 0 | 0 | 0 | 112.7 | E531 V532 F533 R538 D539 | E531-N535 VanDerWaalsContact O-CB 3.24Å; E531-N535 WeakPolarHBondContact O-CB 3.31Å; E531-N535 PolarHBondContact O-N 2.87Å; E531-N535 PolarHBondContact O-ND2 2.97Å; V532-N535 PolarHBondContact O-N 2.98Å; F533-N535 VanDerWaalsContact C-N 3.3Å; F533-N535 PolarHBondContact O-N 2.95Å; N535-R538 WeakPolarHBondContact O-CB 3.16Å; N535-R538 PolarHBondContact O-N 3.22Å; N535-R538 PolarHBondContact OD1-NH1 2.73Å; N535-R538 PolarHBondContact OD1-NH2 3.37Å; N535-D539 WeakPolarHBondContact O-CB 3.32Å; N535-D539 VanDerWaalsContact O-CG 3.26Å; N535-D539 PolarHBondContact O-N 3.45Å |
| 536 | L | 95.8 | Very high | 90.4 | Very high | 6 Ų | 6 | 25.2 Ų | 25.2 | 3% | 0.031 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -68.1 | -38.5 | 178.3 | -66.4 | 175 | 0 | 0 | 0 | 112 | V440 K444 L467 V471 V532 F533 R538 D539 Y540 L553 | V440-L536 HydrophobicContact CG1-CD1 3.77Å; K444-L536 HydrophobicContact CB-CD2 4.49Å; K444-L536 HydrophobicContact CD-CD2 3.94Å; K444-L536 HydrophobicContact CG-CD2 4.29Å; L467-L536 HydrophobicContact CD1-CD2 4.37Å; L467-L536 HydrophobicContact CD2-CD2 4.39Å; V471-L536 HydrophobicContact CG2-CD1 3.69Å; V532-L536 HydrophobicContact CG1-CD1 3.68Å; V532-L536 HydrophobicContact CG1-CG 4.47Å; V532-L536 WeakPolarHBondContact O-CG 3.37Å; V532-L536 PolarHBondContact O-N 2.95Å; F533-L536 PolarHBondContact O-N 3.25Å; L536-R538 VanDerWaalsContact C-N 3.31Å; L536-R538 PolarHBondContact O-N 3.24Å; L536-D539 PolarHBondContact O-N 2.96Å; L536-Y540 PolarHBondContact O-N 3.15Å; L536-L553 HydrophobicContact CB-CD1 3.97Å; L536-L553 HydrophobicContact CB-CD2 3.54Å; L536-L553 HydrophobicContact CB-CG 4.44Å; L536-L553 HydrophobicContact CD1-CD2 3.79Å; L536-L553 HydrophobicContact CG-CD2 4.34Å |
| 537 | L | 95.2 | Very high | 90.5 | Very high | 1 Ų | 1 | 28.3 Ų | 28.3 | 1% | 0.005 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -64.8 | -33.3 | 171.7 | -72.7 | 165 | 0 | 0 | 0 | 112.5 | F533 L550 L553 V554 F793 V798 A801 | F533-L537 WeakPolarHBondContact O-CB 3.3Å; F533-L537 WeakPolarHBondContact O-CG 3.27Å; F533-L537 PolarHBondContact O-N 3.18Å; L537-L550 HydrophobicContact CD2-CD1 4.04Å; L537-L553 HydrophobicContact CD2-CB 3.8Å; L537-L553 HydrophobicContact CD2-CD1 4.06Å; L537-L553 HydrophobicContact CG-CB 4.22Å; L537-L553 HydrophobicContact CG-CD1 4.26Å; L537-V554 HydrophobicContact CD2-CG2 3.86Å; L537-F793 HydrophobicContact CD1-CD1 4.07Å; L537-F793 HydrophobicContact CD1-CE1 4Å; L537-V798 HydrophobicContact CB-CB 4.4Å; L537-V798 HydrophobicContact CB-CG1 3.97Å; L537-V798 HydrophobicContact CB-CG2 3.88Å; L537-V798 HydrophobicContact CD1-CG1 4.08Å; L537-A801 HydrophobicContact CD2-CB 4.38Å |
| 538 | R | 92.4 | Very high | 90.6 | Very high | 76 Ų | 76 | 30.5 Ų | 30.5 | 29% | 0.287 | 14% | 0.144 | S | C | . | . | H | α-helix | trans | -70 | -31.5 | 173.8 | 179.3 | 176.2 | 80.2 | -168.3 | 5.3 | 113.1 | P534 N535 L536 E765 R797 V798 | P534-R538 VanDerWaalsContact O-CB 3.31Å; P534-R538 WeakPolarHBondContact O-CB 3.44Å; P534-R538 PolarHBondContact O-N 3.36Å; N535-R538 WeakPolarHBondContact O-CB 3.16Å; N535-R538 PolarHBondContact O-N 3.22Å; N535-R538 PolarHBondContact OD1-NH1 2.73Å; N535-R538 PolarHBondContact OD1-NH2 3.37Å; L536-R538 VanDerWaalsContact C-N 3.31Å; L536-R538 PolarHBondContact O-N 3.24Å; R538-E765 IonicContact NH1-OE1 3.24Å; R538-E765 PolarHBondContact NH1-OE1 2.73Å; R538-R797 WeakPolarHBondContact O-CD 3.25Å; R538-V798 HydrophobicContact CB-CG2 4.35Å |
| 539 | D | 91.4 | Very high | 90.8 | Very high | 42 Ų | 42 | 28.1 Ų | 28.1 | 23% | 0.225 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -98.5 | -2.9 | -173.5 | -66.6 | -31.5 | 0 | 0 | 0 | 113.9 | K444 N535 L536 | K444-D539 WeakPolarHBondContact CE-OD2 3.49Å; K444-D539 IonicContact NZ-OD2 3.6Å; K444-D539 PolarHBondContact NZ-OD2 2.87Å; N535-D539 WeakPolarHBondContact O-CB 3.32Å; N535-D539 VanDerWaalsContact O-CG 3.26Å; N535-D539 PolarHBondContact O-N 3.45Å; L536-D539 PolarHBondContact O-N 2.96Å |
| 540 | Y | 92.5 | Very high | 90.9 | Very high | 37 Ų | 37 | 27.7 Ų | 27.7 | 15% | 0.145 | 13% | 0.131 | C | C | . | . | trans | -53.1 | 140.1 | 176.9 | 177.3 | -101 | 0 | 0 | 0 | 113.3 | L536 E542 M545 S546 Y549 L550 L804 | L536-Y540 PolarHBondContact O-N 3.15Å; Y540-E542 HydrophobicContact CE1-CG 4.41Å; Y540-M545 HydrophobicContact CD2-CB 3.96Å; Y540-M545 HydrophobicContact CD2-SD 4.05Å; Y540-M545 HydrophobicContact CE2-CB 3.67Å; Y540-S546 PolarHBondContact OH-O 2.65Å; Y540-Y549 AromaticContact CD2-CD1 3.87Å; Y540-Y549 HydrophobicContact CD2-CD1 3.87Å; Y540-Y549 HydrophobicContact CD2-CE1 4.13Å; Y540-Y549 HydrophobicContact CE2-CD1 4.12Å; Y540-L550 HydrophobicContact CD1-CD1 4.12Å; Y540-L550 HydrophobicContact CD1-CD2 4.23Å; Y540-L550 HydrophobicContact CD2-CB 4.37Å; Y540-L550 HydrophobicContact CD2-CD1 3.81Å; Y540-L550 HydrophobicContact CE1-CD1 4.39Å; Y540-L550 HydrophobicContact CE1-CD2 3.78Å; Y540-L550 HydrophobicContact CE2-CB 3.87Å; Y540-L550 HydrophobicContact CE2-CD1 4.08Å; Y540-L550 HydrophobicContact CE2-CD2 4.28Å; Y540-L550 HydrophobicContact CE2-CG 4.3Å; Y540-L550 HydrophobicContact CG-CD1 3.82Å; Y540-L804 HydrophobicContact CE1-CD1 4.22Å | ||
| 541 | N | 88 | Confident | 91.1 | Very high | 53 Ų | 53 | 29.7 Ų | 29.7 | 28% | 0.283 | 14% | 0.139 | S | C | . | . | trans | -146.1 | 114.1 | -179.2 | -175.5 | -10.5 | 0 | 0 | 0 | 112 | I543 F544 M545 | N541-I543 PolarHBondContact O-N 3.29Å; N541-I543 WeakPolarHBondContact OD1-CB 3.42Å; N541-I543 WeakPolarHBondContact OD1-CG1 3.31Å; N541-I543 PolarHBondContact OD1-N 2.99Å; N541-F544 HydrophobicContact CB-CD2 4.41Å; N541-F544 PolarHBondContact O-N 3.16Å; N541-F544 VanDerWaalsContact O-N 3.15Å; N541-M545 WeakPolarHBondContact O-CG 3.47Å; N541-M545 PolarHBondContact O-N 2.84Å; N541-M545 VanDerWaalsContact O-N 3.11Å | ||
| 542 | E | 86.5 | Confident | 91.3 | Very high | 43 Ų | 43 | 27.9 Ų | 27.9 | 20% | 0.201 | 13% | 0.131 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -42.8 | -34.6 | 175.4 | -70.2 | -178 | -167.4 | 0 | 0 | 114 | K343 P349 L350 Y540 F544 | K343-E542 IonicContact NZ-OE1 2.68Å; K343-E542 IonicContact NZ-OE2 3.15Å; K343-E542 PolarHBondContact NZ-OE2 3.23Å; P349-E542 CarbonylContact C-O 3.32Å; P349-E542 VanDerWaalsContact CA-O 3.22Å; P349-E542 WeakPolarHBondContact CA-O 3.26Å; P349-E542 HydrophobicContact CB-CB 4.11Å; L350-E542 PolarHBondContact N-O 3.29Å; Y540-E542 HydrophobicContact CE1-CG 4.41Å; E542-F544 PolarHBondContact O-N 3.47Å |
| 543 | I | 83.9 | Confident | 91.4 | Very high | 32 Ų | 32 | 27.5 Ų | 27.5 | 16% | 0.164 | 13% | 0.129 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -70 | -30.8 | -171.2 | -60.8 | 173.9 | 0 | 0 | 0 | 112.6 | H346 R347 A455 N541 | H346-I543 WeakPolarHBondContact O-CG2 3.07Å; R347-I543 HydrophobicContact CB-CD1 4.36Å; R347-I543 HydrophobicContact CG-CD1 4.48Å; A455-I543 HydrophobicContact CB-CG2 3.95Å; N541-I543 PolarHBondContact O-N 3.29Å; N541-I543 WeakPolarHBondContact OD1-CB 3.42Å; N541-I543 WeakPolarHBondContact OD1-CG1 3.31Å; N541-I543 PolarHBondContact OD1-N 2.99Å |
| 544 | F | 82.4 | Confident | 91.5 | Very high | 10 Ų | 10 | 27.3 Ų | 27.3 | 4% | 0.044 | 13% | 0.128 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -119.4 | -21.4 | -172.8 | -58.1 | -85.1 | 0 | 0 | 0 | 113.7 | L447 G454 A460 A464 N541 E542 | L447-F544 HydrophobicContact CD1-CB 4.39Å; L447-F544 HydrophobicContact CD1-CG 4.5Å; G454-F544 VanDerWaalsContact C-CE1 3.45Å; G454-F544 VanDerWaalsContact CA-CZ 3.45Å; G454-F544 WeakPolarHBondContact O-CE1 3.47Å; A460-F544 HydrophobicContact CB-CD1 3.67Å; A460-F544 HydrophobicContact CB-CE1 3.51Å; A460-F544 HydrophobicContact CB-CZ 4.46Å; A464-F544 HydrophobicContact CB-CB 4.33Å; A464-F544 VanDerWaalsContact CB-O 3.24Å; A464-F544 WeakPolarHBondContact CB-O 3.35Å; N541-F544 HydrophobicContact CB-CD2 4.41Å; N541-F544 PolarHBondContact O-N 3.16Å; N541-F544 VanDerWaalsContact O-N 3.15Å; E542-F544 PolarHBondContact O-N 3.47Å |
| 545 | M | 89 | Confident | 91.6 | Very high | 7 Ų | 7 | 28.4 Ų | 28.4 | 3% | 0.034 | 13% | 0.133 | C | C | . | . | S | Bend | trans | -116.2 | 139.9 | -166.9 | -46.7 | -171.9 | 93.3 | 0 | 0 | 109.5 | L447 A464 L467 Y540 N541 Y549 | L447-M545 HydrophobicContact CD2-CE 3.62Å; L447-M545 HydrophobicContact CD2-SD 4.1Å; A464-M545 HydrophobicContact CB-CG 4.5Å; L467-M545 HydrophobicContact CD2-CE 3.7Å; L467-M545 HydrophobicContact CG-CE 4.49Å; Y540-M545 HydrophobicContact CD2-CB 3.96Å; Y540-M545 HydrophobicContact CD2-SD 4.05Å; Y540-M545 HydrophobicContact CE2-CB 3.67Å; N541-M545 WeakPolarHBondContact O-CG 3.47Å; N541-M545 PolarHBondContact O-N 2.84Å; N541-M545 VanDerWaalsContact O-N 3.11Å; M545-Y549 HydrophobicContact CB-CD1 3.98Å; M545-Y549 HydrophobicContact CE-CD1 3.75Å; M545-Y549 HydrophobicContact CE-CE1 3.14Å; M545-Y549 HydrophobicContact CE-CE2 4.28Å; M545-Y549 VanDerWaalsContact CE-CZ 3.44Å; M545-Y549 HydrophobicContact SD-CD1 4.18Å; M545-Y549 HydrophobicContact SD-CE1 3.78Å |
| 546 | S | 89.1 | Confident | 91.7 | Very high | 5 Ų | 5 | 27.1 Ų | 27.1 | 4% | 0.035 | 13% | 0.126 | C | C | . | . | trans | -72.2 | 172.3 | -177.4 | 88.2 | 0 | 0 | 0 | 0 | 112 | E468 Y540 D548 Y549 | E468-S546 VanDerWaalsContact CD-OG 3.25Å; E468-S546 WeakPolarHBondContact OE1-CB 3.11Å; E468-S546 PolarHBondContact OE1-OG 3.16Å; E468-S546 PolarHBondContact OE2-OG 3.14Å; Y540-S546 PolarHBondContact OH-O 2.65Å; S546-D548 PolarHBondContact OG-N 2.96Å; S546-Y549 PolarHBondContact OG-N 3.46Å | ||
| 547 | K | 88.6 | Confident | 91.8 | Very high | 99 Ų | 99 | 26.9 Ų | 26.9 | 43% | 0.43 | 12% | 0.124 | S | C | . | . | H | α-helix | trans | -75.7 | -25.7 | 166.1 | -75.4 | -171.6 | 175 | -178.1 | 0 | 112.7 | L550 R551 D808 | K547-L550 WeakPolarHBondContact O-CB 3.18Å; K547-L550 PolarHBondContact O-N 3.43Å; K547-R551 WeakPolarHBondContact O-CG 3.47Å; K547-R551 PolarHBondContact O-N 3.45Å; K547-D808 IonicContact NZ-OD2 2.76Å; K547-D808 PolarHBondContact NZ-OD2 3.08Å |
| 548 | D | 88.4 | Confident | 91.8 | Very high | 56 Ų | 56 | 28.4 Ų | 28.4 | 30% | 0.299 | 13% | 0.131 | S | C | . | . | H | α-helix | trans | -73.5 | -38.6 | -179.3 | -64.1 | -33.3 | 0 | 0 | 0 | 111 | S546 L550 R551 D552 | S546-D548 PolarHBondContact OG-N 2.96Å; D548-L550 VanDerWaalsContact C-N 3.25Å; D548-L550 PolarHBondContact O-N 3.26Å; D548-R551 WeakPolarHBondContact O-CB 3.38Å; D548-R551 PolarHBondContact O-N 3.46Å; D548-R551 VanDerWaalsContact O-N 3.13Å; D548-R551 WeakPolarHBondContact OD1-CD 3.47Å; D548-R551 IonicContact OD1-CZ 3.48Å; D548-R551 IonicContact OD1-NE 3.26Å; D548-R551 IonicContact OD1-NH1 3.79Å; D548-R551 PolarHBondContact OD1-NH1 3.24Å; D548-D552 PolarHBondContact O-N 2.88Å |
| 549 | Y | 93.8 | Very high | 91.9 | Very high | 2 Ų | 2 | 26 Ų | 26 | 1% | 0.008 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -51 | -44.1 | 164 | 178.7 | -111.8 | 0 | 0 | 0 | 113 | L467 E468 V471 Y540 M545 S546 D552 L553 | L467-Y549 HydrophobicContact CG-CE2 4.21Å; E468-Y549 HydrophobicContact CB-CD2 3.8Å; E468-Y549 HydrophobicContact CB-CG 4.37Å; E468-Y549 HydrophobicContact CG-CD2 4.06Å; E468-Y549 HydrophobicContact CG-CG 4.42Å; E468-Y549 PolarHBondContact OE1-N 3.06Å; V471-Y549 HydrophobicContact CB-CD2 4.39Å; V471-Y549 HydrophobicContact CB-CE2 3.83Å; V471-Y549 HydrophobicContact CG1-CD2 4.4Å; V471-Y549 HydrophobicContact CG1-CE2 4.02Å; V471-Y549 HydrophobicContact CG2-CE2 3.75Å; Y540-Y549 AromaticContact CD2-CD1 3.87Å; Y540-Y549 HydrophobicContact CD2-CD1 3.87Å; Y540-Y549 HydrophobicContact CD2-CE1 4.13Å; Y540-Y549 HydrophobicContact CE2-CD1 4.12Å; M545-Y549 HydrophobicContact CB-CD1 3.98Å; M545-Y549 HydrophobicContact CE-CD1 3.75Å; M545-Y549 HydrophobicContact CE-CE1 3.14Å; M545-Y549 HydrophobicContact CE-CE2 4.28Å; M545-Y549 VanDerWaalsContact CE-CZ 3.44Å; M545-Y549 HydrophobicContact SD-CD1 4.18Å; M545-Y549 HydrophobicContact SD-CE1 3.78Å; S546-Y549 PolarHBondContact OG-N 3.46Å; Y549-D552 PolarHBondContact O-N 3.34Å; Y549-L553 HydrophobicContact CD1-CD1 4.01Å; Y549-L553 HydrophobicContact CD1-CG 4.43Å; Y549-L553 HydrophobicContact CE1-CD1 3.34Å; Y549-L553 HydrophobicContact CE1-CG 3.95Å; Y549-L553 HydrophobicContact CE2-CD1 4.43Å; Y549-L553 HydrophobicContact CE2-CD2 4.46Å; Y549-L553 HydrophobicContact CE2-CG 4.19Å; Y549-L553 WeakPolarHBondContact O-CG 3.49Å; Y549-L553 PolarHBondContact O-N 3.04Å |
| 550 | L | 94.7 | Very high | 92.1 | Very high | 2 Ų | 2 | 24 Ų | 24 | 1% | 0.01 | 11% | 0.113 | C | C | . | . | H | α-helix | trans | -70.4 | -36.1 | -179.4 | -167.8 | 60.1 | 0 | 0 | 0 | 111.8 | L537 Y540 K547 D548 L553 V554 A801 L804 L805 | L537-L550 HydrophobicContact CD2-CD1 4.04Å; Y540-L550 HydrophobicContact CD1-CD1 4.12Å; Y540-L550 HydrophobicContact CD1-CD2 4.23Å; Y540-L550 HydrophobicContact CD2-CB 4.37Å; Y540-L550 HydrophobicContact CD2-CD1 3.81Å; Y540-L550 HydrophobicContact CE1-CD1 4.39Å; Y540-L550 HydrophobicContact CE1-CD2 3.78Å; Y540-L550 HydrophobicContact CE2-CB 3.87Å; Y540-L550 HydrophobicContact CE2-CD1 4.08Å; Y540-L550 HydrophobicContact CE2-CD2 4.28Å; Y540-L550 HydrophobicContact CE2-CG 4.3Å; Y540-L550 HydrophobicContact CG-CD1 3.82Å; K547-L550 WeakPolarHBondContact O-CB 3.18Å; K547-L550 PolarHBondContact O-N 3.43Å; D548-L550 VanDerWaalsContact C-N 3.25Å; D548-L550 PolarHBondContact O-N 3.26Å; L550-L553 HydrophobicContact CD1-CD1 4.5Å; L550-V554 WeakPolarHBondContact O-CB 3.32Å; L550-V554 VanDerWaalsContact O-CG2 3.26Å; L550-V554 WeakPolarHBondContact O-CG2 3.47Å; L550-V554 PolarHBondContact O-N 2.79Å; L550-V554 VanDerWaalsContact O-N 3.08Å; L550-A801 HydrophobicContact CD1-CB 4.03Å; L550-L804 HydrophobicContact CD2-CB 4.44Å; L550-L805 HydrophobicContact CB-CD2 4.27Å; L550-L805 HydrophobicContact CD2-CD1 4.43Å; L550-L805 HydrophobicContact CD2-CD2 3.95Å; L550-L805 HydrophobicContact CD2-CG 3.8Å; L550-L805 HydrophobicContact CG-CD1 4.05Å; L550-L805 HydrophobicContact CG-CD2 4.14Å; L550-L805 HydrophobicContact CG-CG 3.96Å |
| 551 | R | 94.3 | Very high | 92.2 | Very high | 46 Ų | 46 | 22.2 Ų | 22.2 | 17% | 0.174 | 11% | 0.106 | C | C | . | . | H | α-helix | trans | -61.6 | -47.2 | 171.7 | -68.4 | 165.2 | 170.8 | 167.7 | -10.8 | 110.5 | K547 D548 V554 E555 L805 N811 N812 V816 | K547-R551 WeakPolarHBondContact O-CG 3.47Å; K547-R551 PolarHBondContact O-N 3.45Å; D548-R551 WeakPolarHBondContact O-CB 3.38Å; D548-R551 PolarHBondContact O-N 3.46Å; D548-R551 VanDerWaalsContact O-N 3.13Å; D548-R551 WeakPolarHBondContact OD1-CD 3.47Å; D548-R551 IonicContact OD1-CZ 3.48Å; D548-R551 IonicContact OD1-NE 3.26Å; D548-R551 IonicContact OD1-NH1 3.79Å; D548-R551 PolarHBondContact OD1-NH1 3.24Å; R551-V554 PolarHBondContact O-N 2.87Å; R551-E555 WeakPolarHBondContact O-CG 3.46Å; R551-E555 PolarHBondContact O-N 2.83Å; R551-L805 HydrophobicContact CG-CD1 4.41Å; R551-L805 HydrophobicContact CG-CD2 3.95Å; R551-N811 PolarHBondContact NH2-O 3.44Å; R551-N812 PolarHBondContact NE-OD1 3.09Å; R551-N812 VanDerWaalsContact NE-OD1 3.09Å; R551-N812 PolarHBondContact NH2-OD1 3.31Å; R551-V816 HydrophobicContact CB-CG2 3.8Å; R551-V816 HydrophobicContact CG-CG1 4.14Å; R551-V816 HydrophobicContact CG-CG2 3.88Å |
| 552 | D | 94.7 | Very high | 92.4 | Very high | 21 Ų | 21 | 21 Ų | 21 | 11% | 0.112 | 10% | 0.1 | C | C | . | . | H | α-helix | trans | -64.2 | -41.2 | 179.1 | -80.8 | -2.1 | 0 | 0 | 0 | 113 | V471 A472 K475 D548 Y549 V554 G556 | V471-D552 HydrophobicContact CG1-CB 4.41Å; A472-D552 WeakPolarHBondContact CB-OD2 3.37Å; K475-D552 HydrophobicContact CD-CB 4.27Å; K475-D552 WeakPolarHBondContact CE-OD1 3.39Å; K475-D552 IonicContact NZ-OD1 3.6Å; K475-D552 PolarHBondContact NZ-OD1 2.88Å; D548-D552 PolarHBondContact O-N 2.88Å; Y549-D552 PolarHBondContact O-N 3.34Å; D552-V554 VanDerWaalsContact C-N 3.33Å; D552-V554 PolarHBondContact O-N 3.29Å; D552-G556 WeakPolarHBondContact O-CA 3.38Å; D552-G556 PolarHBondContact O-N 3.33Å |
| 553 | L | 96.6 | Very high | 92.7 | Very high | 0 Ų | 0 | 19 Ų | 19 | 0% | 0 | 9% | 0.092 | C | C | . | . | H | α-helix | trans | -59.9 | -42.7 | 171.4 | -79.8 | -177.4 | 0 | 0 | 0 | 112.3 | V471 F533 L536 L537 Y549 L550 S557 | V471-L553 HydrophobicContact CG1-CD2 3.74Å; V471-L553 HydrophobicContact CG1-CG 4.21Å; V471-L553 HydrophobicContact CG2-CD2 4.31Å; F533-L553 HydrophobicContact CD1-CD2 3.99Å; F533-L553 WeakPolarHBondContact CD1-O 3.45Å; F533-L553 HydrophobicContact CE1-CD2 4.37Å; L536-L553 HydrophobicContact CB-CD1 3.97Å; L536-L553 HydrophobicContact CB-CD2 3.54Å; L536-L553 HydrophobicContact CB-CG 4.44Å; L536-L553 HydrophobicContact CD1-CD2 3.79Å; L536-L553 HydrophobicContact CG-CD2 4.34Å; L537-L553 HydrophobicContact CD2-CB 3.8Å; L537-L553 HydrophobicContact CD2-CD1 4.06Å; L537-L553 HydrophobicContact CG-CB 4.22Å; L537-L553 HydrophobicContact CG-CD1 4.26Å; Y549-L553 HydrophobicContact CD1-CD1 4.01Å; Y549-L553 HydrophobicContact CD1-CG 4.43Å; Y549-L553 HydrophobicContact CE1-CD1 3.34Å; Y549-L553 HydrophobicContact CE1-CG 3.95Å; Y549-L553 HydrophobicContact CE2-CD1 4.43Å; Y549-L553 HydrophobicContact CE2-CD2 4.46Å; Y549-L553 HydrophobicContact CE2-CG 4.19Å; Y549-L553 WeakPolarHBondContact O-CG 3.49Å; Y549-L553 PolarHBondContact O-N 3.04Å; L550-L553 HydrophobicContact CD1-CD1 4.5Å; L553-S557 WeakPolarHBondContact O-CB 3.03Å; L553-S557 PolarHBondContact O-N 2.84Å; L553-S557 PolarHBondContact O-OG 2.86Å |
| 554 | V | 96.8 | Very high | 93 | Very high | 0 Ų | 0 | 17.5 Ų | 17.5 | 0% | 0 | 8% | 0.084 | C | C | . | . | H | α-helix | trans | -73.1 | -46.7 | -176.1 | 167.2 | 0 | 0 | 0 | 0 | 111.4 | L537 L550 R551 D552 S557 H558 Y802 L805 A819 I820 | L537-V554 HydrophobicContact CD2-CG2 3.86Å; L550-V554 WeakPolarHBondContact O-CB 3.32Å; L550-V554 VanDerWaalsContact O-CG2 3.26Å; L550-V554 WeakPolarHBondContact O-CG2 3.47Å; L550-V554 PolarHBondContact O-N 2.79Å; L550-V554 VanDerWaalsContact O-N 3.08Å; R551-V554 PolarHBondContact O-N 2.87Å; D552-V554 VanDerWaalsContact C-N 3.33Å; D552-V554 PolarHBondContact O-N 3.29Å; V554-S557 PolarHBondContact O-N 3.49Å; V554-S557 PolarHBondContact O-OG 2.92Å; V554-H558 WeakPolarHBondContact O-CB 3.49Å; V554-H558 PolarHBondContact O-N 2.93Å; V554-Y802 HydrophobicContact CG1-CD1 4.28Å; V554-Y802 HydrophobicContact CG1-CE1 4.1Å; V554-Y802 HydrophobicContact CG2-CD1 3.91Å; V554-Y802 HydrophobicContact CG2-CE1 3.79Å; V554-L805 HydrophobicContact CB-CD1 4.05Å; V554-L805 HydrophobicContact CG1-CD1 4.36Å; V554-L805 HydrophobicContact CG2-CD1 3.78Å; V554-A819 HydrophobicContact CG1-CB 4.2Å; V554-I820 HydrophobicContact CG1-CD1 4.47Å; V554-I820 HydrophobicContact CG1-CG1 3.57Å |
| 555 | E | 96.1 | Very high | 93.2 | Very high | 32 Ų | 32 | 17.7 Ų | 17.7 | 15% | 0.15 | 9% | 0.086 | C | C | . | . | H | α-helix | trans | -61.2 | -47.8 | 173.3 | -72.2 | -174.2 | 159.3 | 0 | 0 | 111.8 | K475 R551 S557 H558 L559 S815 V816 | K475-E555 HydrophobicContact CD-CB 3.9Å; K475-E555 IonicContact NZ-OE2 2.75Å; K475-E555 PolarHBondContact NZ-OE2 3.33Å; R551-E555 WeakPolarHBondContact O-CG 3.46Å; R551-E555 PolarHBondContact O-N 2.83Å; E555-S557 PolarHBondContact O-N 3.18Å; E555-H558 PolarHBondContact O-N 2.96Å; E555-L559 WeakPolarHBondContact O-CB 3.48Å; E555-L559 PolarHBondContact O-N 2.97Å; E555-S815 WeakPolarHBondContact OE1-CB 3.45Å; E555-S815 PolarHBondContact OE1-OG 3.12Å; E555-V816 HydrophobicContact CG-CG2 3.94Å; E555-V816 VanDerWaalsContact OE1-CG2 3.29Å; E555-V816 WeakPolarHBondContact OE1-CG2 3.42Å; E555-V816 PolarHBondContact OE1-N 3.01Å |
| 556 | G | 96.5 | Very high | 93 | Very high | 0 Ų | 0 | 20.9 Ų | 20.9 | 0% | 0 | 10% | 0.104 | C | C | . | . | H | α-helix | trans | -61.6 | -41.7 | 178 | 0 | 0 | 0 | 0 | 0 | 112.7 | F533 D552 L559 F560 | F533-G556 WeakPolarHBondContact CE2-O 3.39Å; D552-G556 WeakPolarHBondContact O-CA 3.38Å; D552-G556 PolarHBondContact O-N 3.33Å; G556-L559 PolarHBondContact O-N 2.82Å; G556-F560 WeakPolarHBondContact O-CB 3.5Å; G556-F560 PolarHBondContact O-N 2.86Å |
| 557 | S | 96.1 | Very high | 92.6 | Very high | 0 Ų | 0 | 22.7 Ų | 22.7 | 0% | 0 | 11% | 0.111 | C | C | . | . | H | α-helix | trans | -62.5 | -45.9 | 174.9 | 73.2 | 0 | 0 | 0 | 0 | 111.9 | L553 V554 E555 L559 F560 I561 | L553-S557 WeakPolarHBondContact O-CB 3.03Å; L553-S557 PolarHBondContact O-N 2.84Å; L553-S557 PolarHBondContact O-OG 2.86Å; V554-S557 PolarHBondContact O-N 3.49Å; V554-S557 PolarHBondContact O-OG 2.92Å; E555-S557 PolarHBondContact O-N 3.18Å; S557-L559 VanDerWaalsContact C-N 3.33Å; S557-L559 PolarHBondContact O-N 3.17Å; S557-F560 PolarHBondContact O-N 3.12Å; S557-I561 VanDerWaalsContact O-CB 3.3Å; S557-I561 WeakPolarHBondContact O-CB 3.47Å; S557-I561 VanDerWaalsContact O-CD1 3.31Å; S557-I561 WeakPolarHBondContact O-CD1 3.49Å; S557-I561 WeakPolarHBondContact O-CG1 3.41Å; S557-I561 PolarHBondContact O-N 2.81Å |
| 558 | H | 96 | Very high | 92.1 | Very high | 34 Ų | 34 | 20.3 Ų | 20.3 | 16% | 0.157 | 10% | 0.102 | C | C | . | . | H | α-helix | trans | -63.3 | -39.6 | 178.4 | 173.9 | 70.7 | 0 | 0 | 0 | 112 | V554 E555 T562 A819 H822 T823 | V554-H558 WeakPolarHBondContact O-CB 3.49Å; V554-H558 PolarHBondContact O-N 2.93Å; E555-H558 PolarHBondContact O-N 2.96Å; H558-T562 VanDerWaalsContact O-CB 3.23Å; H558-T562 WeakPolarHBondContact O-CB 3.3Å; H558-T562 PolarHBondContact O-N 3.02Å; H558-T562 PolarHBondContact O-OG1 3.48Å; H558-A819 HydrophobicContact CB-CB 3.58Å; H558-H822 WeakPolarHBondContact CE1-CB 3.41Å; H558-H822 AromaticContact CE1-CG 3.87Å; H558-T823 PolarHBondContact ND1-OG1 2.9Å |
| 559 | L | 95.1 | Very high | 91.1 | Very high | 24 Ų | 24 | 22.6 Ų | 22.6 | 13% | 0.126 | 12% | 0.122 | C | C | . | . | H | α-helix | trans | -66.5 | -47.5 | 176.6 | -178 | 58.8 | 0 | 0 | 0 | 111.6 | L478 T479 N482 E555 G556 S557 T562 L563 | L478-L559 HydrophobicContact CB-CD2 3.78Å; L478-L559 HydrophobicContact CB-CG 4.3Å; T479-L559 WeakPolarHBondContact OG1-CD2 3.23Å; N482-L559 HydrophobicContact CB-CD1 3.92Å; E555-L559 WeakPolarHBondContact O-CB 3.48Å; E555-L559 PolarHBondContact O-N 2.97Å; G556-L559 PolarHBondContact O-N 2.82Å; S557-L559 VanDerWaalsContact C-N 3.33Å; S557-L559 PolarHBondContact O-N 3.17Å; L559-T562 PolarHBondContact O-N 2.88Å; L559-T562 VanDerWaalsContact O-N 3.1Å; L559-L563 HydrophobicContact CD1-CD1 4.25Å; L559-L563 HydrophobicContact CD1-CG 4.26Å; L559-L563 HydrophobicContact CG-CD1 4.14Å; L559-L563 WeakPolarHBondContact O-CG 3.34Å; L559-L563 PolarHBondContact O-N 2.82Å |
| 560 | F | 95.4 | Very high | 89.5 | Confident | 1 Ų | 1 | 26 Ų | 26 | 0% | 0.004 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -60 | -47.9 | 175.9 | -171.8 | -81.9 | 0 | 0 | 0 | 111.6 | L478 V523 F524 Q530 F533 G556 S557 T562 L564 F789 | L478-F560 HydrophobicContact CD1-CB 4.29Å; L478-F560 HydrophobicContact CD1-CD2 3.99Å; L478-F560 HydrophobicContact CD2-CD2 4.48Å; V523-F560 HydrophobicContact CG1-CE2 4.44Å; F524-F560 HydrophobicContact CD1-CE1 4.42Å; F524-F560 HydrophobicContact CD1-CE2 4.18Å; F524-F560 AromaticContact CD1-CZ 3.89Å; F524-F560 HydrophobicContact CD1-CZ 3.89Å; F524-F560 HydrophobicContact CE1-CD1 4.38Å; F524-F560 HydrophobicContact CE1-CD2 4.09Å; F524-F560 HydrophobicContact CE1-CE1 4.04Å; F524-F560 AromaticContact CE1-CE2 3.74Å; F524-F560 HydrophobicContact CE1-CE2 3.74Å; F524-F560 HydrophobicContact CE1-CG 4.41Å; F524-F560 AromaticContact CE1-CZ 3.71Å; F524-F560 HydrophobicContact CE1-CZ 3.71Å; Q530-F560 HydrophobicContact CB-CE1 4.35Å; Q530-F560 HydrophobicContact CB-CZ 4.35Å; Q530-F560 HydrophobicContact CG-CE1 4.22Å; Q530-F560 HydrophobicContact CG-CZ 3.99Å; F533-F560 HydrophobicContact CD2-CB 4Å; F533-F560 HydrophobicContact CD2-CD2 4.48Å; F533-F560 HydrophobicContact CD2-CG 4.23Å; F533-F560 HydrophobicContact CE2-CB 3.82Å; F533-F560 HydrophobicContact CE2-CD2 4.23Å; F533-F560 HydrophobicContact CE2-CG 4.23Å; G556-F560 WeakPolarHBondContact O-CB 3.5Å; G556-F560 PolarHBondContact O-N 2.86Å; S557-F560 PolarHBondContact O-N 3.12Å; F560-T562 PolarHBondContact O-N 3.31Å; F560-L564 HydrophobicContact CE1-CD2 4.45Å; F560-L564 VanDerWaalsContact O-CB 3.23Å; F560-L564 WeakPolarHBondContact O-CB 3.1Å; F560-L564 PolarHBondContact O-N 3Å; F560-F789 AromaticContact CD1-CZ 3.84Å; F560-F789 HydrophobicContact CD1-CZ 3.84Å; F560-F789 HydrophobicContact CE1-CE2 4.27Å; F560-F789 AromaticContact CE1-CZ 3.83Å; F560-F789 HydrophobicContact CE1-CZ 3.83Å |
| 561 | I | 93.5 | Very high | 87.7 | Confident | 0 Ų | 0 | 27.9 Ų | 27.9 | 0% | 0 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -56.6 | -38.3 | 173.5 | -73.2 | 160.6 | 0 | 0 | 0 | 111.2 | S557 S565 F786 F789 M790 F793 T823 | S557-I561 VanDerWaalsContact O-CB 3.3Å; S557-I561 WeakPolarHBondContact O-CB 3.47Å; S557-I561 VanDerWaalsContact O-CD1 3.31Å; S557-I561 WeakPolarHBondContact O-CD1 3.49Å; S557-I561 WeakPolarHBondContact O-CG1 3.41Å; S557-I561 PolarHBondContact O-N 2.81Å; I561-S565 WeakPolarHBondContact O-CB 3.29Å; I561-S565 PolarHBondContact O-N 3.01Å; I561-S565 PolarHBondContact O-OG 2.72Å; I561-S565 VanDerWaalsContact O-OG 3.06Å; I561-F786 HydrophobicContact CG2-CZ 4.13Å; I561-F789 HydrophobicContact CG1-CE1 3.83Å; I561-F789 HydrophobicContact CG1-CZ 4.18Å; I561-M790 HydrophobicContact CD1-CE 4.33Å; I561-M790 HydrophobicContact CD1-SD 4.29Å; I561-M790 HydrophobicContact CG1-SD 4.13Å; I561-M790 HydrophobicContact CG2-CE 4.38Å; I561-M790 HydrophobicContact CG2-SD 3.65Å; I561-F793 HydrophobicContact CD1-CD1 4.43Å; I561-F793 HydrophobicContact CD1-CD2 4.02Å; I561-F793 HydrophobicContact CD1-CE1 4.09Å; I561-F793 HydrophobicContact CD1-CE2 3.64Å; I561-F793 HydrophobicContact CD1-CG 4.39Å; I561-F793 HydrophobicContact CD1-CZ 3.66Å; I561-F793 HydrophobicContact CG1-CE2 3.94Å; I561-F793 HydrophobicContact CG1-CZ 4.08Å; I561-T823 HydrophobicContact CD1-CG2 4.01Å |
| 562 | T | 93.4 | Very high | 85.7 | Confident | 26 Ų | 26 | 34 Ų | 34 | 16% | 0.16 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -74.6 | -50.6 | -177.7 | -62.8 | 0 | 0 | 0 | 0 | 112 | H558 L559 F560 L564 S565 N566 R826 | H558-T562 VanDerWaalsContact O-CB 3.23Å; H558-T562 WeakPolarHBondContact O-CB 3.3Å; H558-T562 PolarHBondContact O-N 3.02Å; H558-T562 PolarHBondContact O-OG1 3.48Å; L559-T562 PolarHBondContact O-N 2.88Å; L559-T562 VanDerWaalsContact O-N 3.1Å; F560-T562 PolarHBondContact O-N 3.31Å; T562-L564 VanDerWaalsContact C-N 3.29Å; T562-L564 PolarHBondContact O-N 3.08Å; T562-S565 WeakPolarHBondContact CA-OG 3.45Å; T562-S565 PolarHBondContact O-N 2.99Å; T562-S565 VanDerWaalsContact O-N 3.16Å; T562-S565 PolarHBondContact O-OG 3.15Å; T562-N566 PolarHBondContact O-N 3.49Å; T562-N566 PolarHBondContact O-OD1 3.2Å; T562-R826 PolarHBondContact OG1-NH2 2.99Å |
| 563 | L | 91.9 | Very high | 83.9 | Confident | 3 Ų | 3 | 40.6 Ų | 40.6 | 2% | 0.016 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -55.1 | -44 | 173.6 | -73.5 | 170.7 | 0 | 0 | 0 | 111.6 | L478 N482 L485 I520 F524 L559 N566 K567 | L478-L563 HydrophobicContact CB-CD1 4.36Å; L478-L563 HydrophobicContact CD2-CD1 4.29Å; N482-L563 HydrophobicContact CB-CD1 4.48Å; N482-L563 HydrophobicContact CB-CD2 4.06Å; N482-L563 WeakPolarHBondContact OD1-CD2 3.43Å; L485-L563 HydrophobicContact CD1-CD2 4.29Å; I520-L563 HydrophobicContact CD1-CD2 4.28Å; F524-L563 HydrophobicContact CE2-CB 4.27Å; F524-L563 HydrophobicContact CZ-CB 3.77Å; L559-L563 HydrophobicContact CD1-CD1 4.25Å; L559-L563 HydrophobicContact CD1-CG 4.26Å; L559-L563 HydrophobicContact CG-CD1 4.14Å; L559-L563 WeakPolarHBondContact O-CG 3.34Å; L559-L563 PolarHBondContact O-N 2.82Å; L563-N566 PolarHBondContact O-N 3.45Å; L563-K567 PolarHBondContact O-N 3.11Å; L563-K567 VanDerWaalsContact O-N 3.15Å |
| 564 | L | 89.9 | Confident | 82.5 | Confident | 0 Ų | 0 | 48.5 Ų | 48.5 | 0% | 0 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -63.1 | -47 | 176.6 | -176.3 | 62.7 | 0 | 0 | 0 | 111.4 | F524 F560 T562 N566 K567 I568 I575 L784 F786 F789 | F524-L564 HydrophobicContact CB-CD1 4.26Å; F524-L564 HydrophobicContact CD1-CD1 4.01Å; F524-L564 HydrophobicContact CD2-CD1 3.77Å; F524-L564 HydrophobicContact CE1-CB 4.08Å; F524-L564 HydrophobicContact CE1-CD1 4.27Å; F524-L564 VanDerWaalsContact CE2-CA 3.48Å; F524-L564 HydrophobicContact CE2-CB 4.03Å; F524-L564 HydrophobicContact CE2-CD1 4.04Å; F524-L564 HydrophobicContact CG-CD1 3.77Å; F524-L564 HydrophobicContact CZ-CB 3.75Å; F524-L564 HydrophobicContact CZ-CD1 4.29Å; F524-L564 VanDerWaalsContact CZ-N 3.34Å; F560-L564 HydrophobicContact CE1-CD2 4.45Å; F560-L564 VanDerWaalsContact O-CB 3.23Å; F560-L564 WeakPolarHBondContact O-CB 3.1Å; F560-L564 PolarHBondContact O-N 3Å; T562-L564 VanDerWaalsContact C-N 3.29Å; T562-L564 PolarHBondContact O-N 3.08Å; L564-N566 VanDerWaalsContact C-N 3.3Å; L564-N566 PolarHBondContact O-N 3.02Å; L564-K567 PolarHBondContact O-N 3.28Å; L564-I568 HydrophobicContact CD1-CD1 4.11Å; L564-I568 HydrophobicContact CG-CD1 3.97Å; L564-I568 VanDerWaalsContact O-CG1 3.3Å; L564-I568 WeakPolarHBondContact O-CG1 3.45Å; L564-I568 PolarHBondContact O-N 2.96Å; L564-I575 HydrophobicContact CD1-CD1 3.89Å; L564-L784 HydrophobicContact CD1-CD1 4.49Å; L564-L784 HydrophobicContact CD1-CD2 4.4Å; L564-L784 HydrophobicContact CD2-CD1 4.32Å; L564-L784 HydrophobicContact CD2-CD2 4.18Å; L564-F786 HydrophobicContact CB-CE2 4.42Å; L564-F786 HydrophobicContact CD2-CD2 3.97Å; L564-F786 HydrophobicContact CD2-CE2 4.06Å; L564-F786 HydrophobicContact CG-CD2 4.09Å; L564-F786 HydrophobicContact CG-CE2 4.13Å; L564-F789 HydrophobicContact CD2-CD1 3.71Å; L564-F789 HydrophobicContact CD2-CE1 3.64Å; L564-F789 HydrophobicContact CD2-CG 4.39Å; L564-F789 HydrophobicContact CD2-CZ 4.28Å |
| 565 | S | 87.2 | Confident | 81.1 | Confident | 14 Ų | 14 | 50.1 Ų | 50.1 | 10% | 0.098 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -63.9 | -33.5 | 176.2 | 59.9 | 0 | 0 | 0 | 0 | 113.3 | I561 T562 I568 C569 R826 | I561-S565 WeakPolarHBondContact O-CB 3.29Å; I561-S565 PolarHBondContact O-N 3.01Å; I561-S565 PolarHBondContact O-OG 2.72Å; I561-S565 VanDerWaalsContact O-OG 3.06Å; T562-S565 WeakPolarHBondContact CA-OG 3.45Å; T562-S565 PolarHBondContact O-N 2.99Å; T562-S565 VanDerWaalsContact O-N 3.16Å; T562-S565 PolarHBondContact O-OG 3.15Å; S565-I568 PolarHBondContact O-N 3.38Å; S565-C569 WeakPolarHBondContact O-CB 3.46Å; S565-C569 PolarHBondContact O-N 2.97Å; S565-C569 PolarHBondContact O-SG 3.31Å; S565-R826 PolarHBondContact OG-NH1 3.22Å; S565-R826 PolarHBondContact OG-NH2 3.47Å |
| 566 | N | 85.8 | Confident | 79.9 | Confident | 74 Ų | 74 | 52.5 Ų | 52.5 | 40% | 0.396 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -67.2 | -40.4 | 178.9 | -69.7 | 0.5 | 0 | 0 | 0 | 111.2 | T562 L563 L564 G570 | T562-N566 PolarHBondContact O-N 3.49Å; T562-N566 PolarHBondContact O-OD1 3.2Å; L563-N566 PolarHBondContact O-N 3.45Å; L564-N566 VanDerWaalsContact C-N 3.3Å; L564-N566 PolarHBondContact O-N 3.02Å; N566-G570 WeakPolarHBondContact O-CA 3.44Å; N566-G570 PolarHBondContact O-N 3.13Å |
| 567 | K | 80.7 | Confident | 78.9 | Confident | 42 Ų | 42 | 52.5 Ų | 52.5 | 18% | 0.183 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -66.3 | -38.2 | 174.7 | -75 | -66.7 | -164.6 | 173.7 | 0 | 113.1 | E517 I520 F524 L563 L564 S571 I575 | E517-K567 IonicContact OE1-NZ 3.25Å; E517-K567 PolarHBondContact OE1-NZ 3.42Å; E517-K567 IonicContact OE2-NZ 2.92Å; E517-K567 PolarHBondContact OE2-NZ 2.89Å; I520-K567 HydrophobicContact CG2-CD 4.47Å; I520-K567 HydrophobicContact CG2-CG 3.97Å; F524-K567 HydrophobicContact CD2-CG 4.45Å; F524-K567 HydrophobicContact CE2-CG 4.28Å; L563-K567 PolarHBondContact O-N 3.11Å; L563-K567 VanDerWaalsContact O-N 3.15Å; L564-K567 PolarHBondContact O-N 3.28Å; K567-S571 PolarHBondContact O-OG 3.33Å; K567-I575 HydrophobicContact CB-CD1 3.95Å |
| 568 | I | 77.1 | Confident | 77.7 | Confident | 50 Ų | 50 | 55.4 Ų | 55.4 | 26% | 0.256 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -73.5 | -34.5 | 179.5 | -63.1 | 168.6 | 0 | 0 | 0 | 112.4 | L564 S565 I575 L784 F786 | L564-I568 HydrophobicContact CD1-CD1 4.11Å; L564-I568 HydrophobicContact CG-CD1 3.97Å; L564-I568 VanDerWaalsContact O-CG1 3.3Å; L564-I568 WeakPolarHBondContact O-CG1 3.45Å; L564-I568 PolarHBondContact O-N 2.96Å; S565-I568 PolarHBondContact O-N 3.38Å; I568-I575 HydrophobicContact CD1-CD1 4.22Å; I568-I575 HydrophobicContact CG1-CD1 3.48Å; I568-I575 VanDerWaalsContact CG1-CD1 3.48Å; I568-I575 HydrophobicContact CG1-CG1 3.96Å; I568-L784 HydrophobicContact CD1-CD2 3.64Å; I568-F786 HydrophobicContact CD1-CB 3.96Å; I568-F786 HydrophobicContact CD1-CD2 3.63Å; I568-F786 HydrophobicContact CD1-CG 4.1Å |
| 569 | C | 67.6 | Low | 76.2 | Confident | 104 Ų | 104 | 56 Ų | 56 | 70% | 0.703 | 30% | 0.303 | S | S | * | . | H | α-helix | trans | -93.1 | -32.1 | -178.4 | -65.9 | 0 | 0 | 0 | 0 | 113.6 | S565 S571 | S565-C569 WeakPolarHBondContact O-CB 3.46Å; S565-C569 PolarHBondContact O-N 2.97Å; S565-C569 PolarHBondContact O-SG 3.31Å; C569-S571 VanDerWaalsContact C-N 3.27Å; C569-S571 PolarHBondContact O-N 3.24Å |
| 570 | G | 61 | Low | 74.6 | Confident | 73 Ų | 73 | 61.8 Ų | 61.8 | 75% | 0.753 | 32% | 0.323 | S | S | * | . | H | α-helix | trans | -75 | -14.1 | -179.5 | 0 | 0 | 0 | 0 | 0 | 114.1 | N566 | N566-G570 WeakPolarHBondContact O-CA 3.44Å; N566-G570 PolarHBondContact O-N 3.13Å |
| 571 | S | 56.5 | Low | 72.6 | Confident | 41 Ų | 41 | 63.6 Ų | 63.6 | 29% | 0.287 | 33% | 0.33 | S | S | . | . | S | Bend | trans | -141.4 | 138.2 | 170.6 | 71.2 | 0 | 0 | 0 | 0 | 109.6 | K567 C569 K573 | K567-S571 PolarHBondContact O-OG 3.33Å; C569-S571 VanDerWaalsContact C-N 3.27Å; C569-S571 PolarHBondContact O-N 3.24Å; S571-K573 PolarHBondContact O-N 2.86Å |
| 572 | N | 52.6 | Low | 70.6 | Confident | 175 Ų | 175 | 66 Ų | 66 | 94% | 0.936 | 35% | 0.345 | S | S | * | . | S | Bend | trans | -70.5 | 29.5 | 177.6 | -75.1 | -24.9 | 0 | 0 | 0 | 113.3 | ||
| 573 | K | 55.7 | Low | 68.4 | Low | 159 Ų | 159 | 67.9 Ų | 67.9 | 69% | 0.691 | 35% | 0.352 | S | S | * | . | trans | -97.2 | 117.2 | -177.4 | -64.3 | 179.1 | 178.9 | 178.4 | 0 | 109.1 | S571 I575 | S571-K573 PolarHBondContact O-N 2.86Å; K573-I575 PolarHBondContact O-N 3.42Å; K573-I575 VanDerWaalsContact O-N 3.16Å | ||
| 574 | K | 67.3 | Low | 65.9 | Low | 167 Ų | 167 | 72.6 Ų | 72.6 | 73% | 0.726 | 37% | 0.369 | S | S | * | . | trans | -62 | 113.6 | 168 | -72.3 | 176 | 179.3 | 178.8 | 0 | 108.5 | I576 V783 | K574-I576 PolarHBondContact O-N 3.18Å; K574-V783 HydrophobicContact CB-CG1 3.78Å; K574-V783 HydrophobicContact CB-CG2 4Å; K574-V783 HydrophobicContact CD-CG1 4.2Å; K574-V783 HydrophobicContact CD-CG2 4.29Å; K574-V783 HydrophobicContact CG-CG1 4.1Å | ||
| 575 | I | 67 | Low | 63.5 | Low | 33 Ų | 33 | 79.7 Ų | 79.7 | 17% | 0.169 | 40% | 0.404 | C | S | . | . | trans | -64.3 | 123.6 | 175.8 | -61.7 | -177 | 0 | 0 | 0 | 108.3 | L564 K567 I568 K573 V577 V783 L784 | L564-I575 HydrophobicContact CD1-CD1 3.89Å; K567-I575 HydrophobicContact CB-CD1 3.95Å; I568-I575 HydrophobicContact CD1-CD1 4.22Å; I568-I575 HydrophobicContact CG1-CD1 3.48Å; I568-I575 VanDerWaalsContact CG1-CD1 3.48Å; I568-I575 HydrophobicContact CG1-CG1 3.96Å; K573-I575 PolarHBondContact O-N 3.42Å; K573-I575 VanDerWaalsContact O-N 3.16Å; I575-V577 HydrophobicContact CG2-CG2 3.98Å; I575-V783 CarbonylContact O-C 3.54Å; I575-V783 WeakPolarHBondContact O-CA 3.23Å; I575-L784 HydrophobicContact CB-CB 4.46Å; I575-L784 PolarHBondContact O-N 3.35Å | ||
| 576 | I | 72.4 | Confident | 61.2 | Low | 83 Ų | 83 | 88.3 Ų | 88.3 | 43% | 0.426 | 44% | 0.44 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.6 | 134.5 | 172.8 | -62 | 176.7 | 0 | 0 | 0 | 107.8 | Y525 K574 E781 | Y525-I576 WeakPolarHBondContact CD2-O 3.4Å; K574-I576 PolarHBondContact O-N 3.18Å; I576-E781 HydrophobicContact CG2-CB 3.61Å; I576-E781 HydrophobicContact CG2-CG 4.03Å |
| 577 | V | 74.1 | Confident | 58.9 | Low | 0 Ų | 0 | 92.6 Ų | 92.6 | 0% | 0 | 46% | 0.455 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.1 | 131.3 | -176.8 | -178.4 | 0 | 0 | 0 | 0 | 109.1 | F524 Y525 A527 I575 R579 V782 L784 | F524-V577 WeakPolarHBondContact O-CG2 3.14Å; Y525-V577 CarbonylContact O-C 2.94Å; Y525-V577 WeakPolarHBondContact O-CA 3.46Å; Y525-V577 WeakPolarHBondContact O-CG1 3.45Å; A527-V577 HydrophobicContact CB-CG1 3.76Å; I575-V577 HydrophobicContact CG2-CG2 3.98Å; V577-R579 PolarHBondContact O-N 3.25Å; V577-V782 PolarHBondContact N-O 3.33Å; V577-V782 PolarHBondContact O-N 3.18Å; V577-L784 HydrophobicContact CG2-CB 3.79Å; V577-L784 HydrophobicContact CG2-CD1 3.92Å; V577-L784 HydrophobicContact CG2-CG 4.5Å |
| 578 | K | 71.3 | Confident | 56.8 | Low | 60 Ų | 60 | 101.5 Ų | 101.5 | 26% | 0.261 | 49% | 0.487 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.4 | 107.5 | 173.8 | -177.6 | 168.6 | 179.1 | 166.5 | 0 | 109.5 | Y525 A527 E779 | Y525-K578 HydrophobicContact CD1-CB 4.07Å; Y525-K578 HydrophobicContact CD2-CB 4.5Å; Y525-K578 HydrophobicContact CE1-CB 3.63Å; Y525-K578 HydrophobicContact CE1-CD 3.62Å; Y525-K578 HydrophobicContact CE1-CG 4.26Å; Y525-K578 HydrophobicContact CE2-CB 4.1Å; Y525-K578 HydrophobicContact CG-CB 4.49Å; Y525-K578 WeakPolarHBondContact O-CB 3.38Å; Y525-K578 PolarHBondContact O-N 3.03Å; A527-K578 WeakPolarHBondContact CB-O 3.47Å; A527-K578 PolarHBondContact N-O 3.47Å; K578-E779 WeakPolarHBondContact CE-OE1 3.49Å; K578-E779 WeakPolarHBondContact CE-OE2 3.26Å; K578-E779 IonicContact NZ-OE1 3.12Å; K578-E779 PolarHBondContact NZ-OE1 2.85Å; K578-E779 IonicContact NZ-OE2 3.99Å; K578-E779 PolarHBondContact NZ-OE2 3.2Å |
| 579 | R | 65.5 | Low | 54.8 | Low | 48 Ų | 48 | 104.3 Ų | 104.3 | 18% | 0.181 | 51% | 0.511 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.6 | 123.6 | 173.3 | -73.3 | -176.5 | 172.3 | 175 | -1.5 | 110.3 | A527 V577 R581 K780 V782 | A527-R579 HydrophobicContact CB-CG 3.86Å; V577-R579 PolarHBondContact O-N 3.25Å; R579-R581 PolarHBondContact O-N 3.06Å; R579-K780 PolarHBondContact N-O 3.03Å; R579-K780 PolarHBondContact O-N 3.41Å; R579-V782 HydrophobicContact CB-CG2 4.48Å |
| 580 | R | 61.1 | Low | 53.2 | Low | 144 Ų | 144 | 104.9 Ų | 104.9 | 54% | 0.543 | 52% | 0.517 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.6 | 106.7 | 164.1 | -71.6 | 173 | 173.2 | 156.8 | -12.8 | 108.6 | E528 E779 | E528-R580 WeakPolarHBondContact OE1-CD 3.45Å; E528-R580 IonicContact OE1-CZ 2.94Å; E528-R580 IonicContact OE1-NE 3.61Å; E528-R580 IonicContact OE1-NH1 3.94Å; E528-R580 PolarHBondContact OE1-NH1 3.12Å; R580-E779 HydrophobicContact CG-CG 4.16Å; R580-E779 IonicContact CZ-OE1 3.01Å; R580-E779 IonicContact NE-OE1 3.36Å; R580-E779 PolarHBondContact NE-OE1 2.71Å; R580-E779 IonicContact NH2-OE1 4Å; R580-E779 PolarHBondContact NH2-OE1 2.92Å |
| 581 | R | 54.1 | Low | 51.8 | Low | 40 Ų | 40 | 111.1 Ų | 111.1 | 15% | 0.151 | 52% | 0.523 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.2 | 130.9 | 170.5 | -87.1 | -166 | 175.9 | 170.6 | 7.7 | 109.7 | R579 H583 D757 T778 | R579-R581 PolarHBondContact O-N 3.06Å; R581-H583 WeakPolarHBondContact CB-CE1 3.43Å; R581-H583 WeakPolarHBondContact CB-ND1 3.4Å; R581-H583 PolarHBondContact O-N 3.23Å; R581-H583 VanDerWaalsContact O-N 3.09Å; R581-H583 PolarHBondContact O-ND1 3.15Å; R581-D757 IonicContact CZ-OD1 2.98Å; R581-D757 IonicContact CZ-OD2 3.49Å; R581-D757 IonicContact NH1-OD1 2.65Å; R581-D757 PolarHBondContact NH1-OD1 3.32Å; R581-D757 IonicContact NH1-OD2 3.56Å; R581-D757 PolarHBondContact NH1-OD2 2.95Å; R581-D757 VanDerWaalsContact NH1-OD2 3.11Å; R581-D757 IonicContact NH2-OD1 2.58Å; R581-D757 IonicContact NH2-OD2 2.71Å; R581-D757 PolarHBondContact NH2-OD2 3.17Å; R581-T778 PolarHBondContact N-O 3.48Å; R581-T778 VanDerWaalsContact N-O 3.1Å; R581-T778 PolarHBondContact O-N 3.4Å; R581-T778 VanDerWaalsContact O-N 3.14Å; R581-T778 PolarHBondContact O-OG1 3.01Å |
| 582 | V | 50.8 | Low | 50.7 | Low | 51 Ų | 51 | 113.4 Ų | 113.4 | 31% | 0.309 | 54% | 0.544 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.2 | 82.2 | -174.5 | -169.2 | 0 | 0 | 0 | 0 | 109.6 | R584 E764 L775 T777 | V582-R584 PolarHBondContact O-N 3.32Å; V582-R584 VanDerWaalsContact O-N 3.15Å; V582-E764 PolarHBondContact N-OE1 3.42Å; V582-E764 VanDerWaalsContact N-OE1 3.16Å; V582-L775 HydrophobicContact CG1-CB 3.65Å; V582-L775 HydrophobicContact CG1-CD1 4.17Å; V582-L775 HydrophobicContact CG1-CD2 3.89Å; V582-L775 HydrophobicContact CG1-CG 4.1Å; V582-T777 HydrophobicContact CG2-CG2 4.48Å |
| 583 | H | 46.8 | Very low | 49.7 | Very low | 65 Ų | 65 | 111.8 Ų | 111.8 | 30% | 0.301 | 53% | 0.529 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.3 | 113.1 | -174.1 | -76.6 | 63.1 | 0 | 0 | 0 | 111.1 | R581 M585 V776 T778 K780 | R581-H583 WeakPolarHBondContact CB-CE1 3.43Å; R581-H583 WeakPolarHBondContact CB-ND1 3.4Å; R581-H583 PolarHBondContact O-N 3.23Å; R581-H583 VanDerWaalsContact O-N 3.09Å; R581-H583 PolarHBondContact O-ND1 3.15Å; H583-M585 PolarHBondContact O-N 3.47Å; H583-M585 VanDerWaalsContact O-N 3.1Å; H583-V776 PolarHBondContact N-O 3.33Å; H583-V776 VanDerWaalsContact N-O 3.17Å; H583-T778 HydrophobicContact CB-CG2 4.26Å; H583-T778 PolarHBondContact CE1-OG1 3.17Å; H583-T778 PolarHBondContact ND1-OG1 2.7Å; H583-K780 PolarHBondContact CE1-NZ 2.98Å; H583-K780 PolarHBondContact NE2-NZ 3.31Å |
| 584 | R | 39 | Very low | 48.6 | Very low | 102 Ų | 102 | 114 Ų | 114 | 39% | 0.385 | 54% | 0.538 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -61.1 | 113.7 | 165.2 | -70.6 | 175.6 | 88.4 | 176.5 | 0.8 | 109.2 | V582 K586 S769 D770 S771 | V582-R584 PolarHBondContact O-N 3.32Å; V582-R584 VanDerWaalsContact O-N 3.15Å; R584-K586 PolarHBondContact O-N 2.65Å; R584-S769 WeakPolarHBondContact CD-OG 3.39Å; R584-S769 VanDerWaalsContact NH1-C 3.26Å; R584-S769 PolarHBondContact NH1-O 3.07Å; R584-S769 PolarHBondContact NH1-OG 3.18Å; R584-D770 PolarHBondContact NH2-O 2.99Å; R584-S771 PolarHBondContact NH2-OG 3.33Å |
| 585 | M | 39.4 | Very low | 47 | Very low | 149 Ų | 149 | 114.8 Ų | 114.8 | 73% | 0.734 | 55% | 0.545 | S | S | * | . | trans | -55.1 | 101.8 | 164.7 | -97.9 | -75.7 | -167.6 | 0 | 0 | 109.1 | H583 K587 V776 | H583-M585 PolarHBondContact O-N 3.47Å; H583-M585 VanDerWaalsContact O-N 3.1Å; M585-K587 PolarHBondContact O-N 2.95Å; M585-V776 HydrophobicContact CG-CG2 4.4Å | ||
| 586 | K | 39 | Very low | 45.5 | Very low | 194 Ų | 194 | 117.2 Ų | 117.2 | 84% | 0.843 | 56% | 0.561 | S | S | * | * | trans | -64.8 | 96.8 | 171.3 | -81.5 | -174.8 | 178.1 | 175 | 0 | 108.7 | R584 R588 | R584-K586 PolarHBondContact O-N 2.65Å; K586-R588 VanDerWaalsContact C-N 3.35Å; K586-R588 PolarHBondContact O-N 2.76Å | ||
| 587 | K | 37.5 | Very low | 43.5 | Very low | 165 Ų | 165 | 122.5 Ų | 122.5 | 72% | 0.717 | 58% | 0.576 | S | S | * | * | trans | -51.3 | 99.7 | 161.4 | -78.6 | 173.4 | 175.1 | 166.2 | 0 | 107.8 | M585 S589 D773 | M585-K587 PolarHBondContact O-N 2.95Å; K587-S589 PolarHBondContact O-N 2.74Å; K587-D773 WeakPolarHBondContact CE-OD1 3.36Å; K587-D773 IonicContact NZ-OD1 2.73Å; K587-D773 PolarHBondContact NZ-OD1 3.37Å | ||
| 588 | R | 36.4 | Very low | 41.7 | Very low | 228 Ų | 228 | 132 Ų | 132 | 86% | 0.86 | 62% | 0.617 | S | S | * | * | trans | -58.6 | 112.3 | -176.4 | -65.6 | 174.9 | 83.5 | 168.3 | 5.1 | 107.8 | K586 S590 | K586-R588 VanDerWaalsContact C-N 3.35Å; K586-R588 PolarHBondContact O-N 2.76Å; R588-S590 PolarHBondContact O-N 3.43Å | ||
| 589 | S | 36.6 | Very low | 39.9 | Very low | 109 Ų | 109 | 138.1 Ų | 138.1 | 76% | 0.762 | 64% | 0.644 | S | S | * | * | trans | -54.9 | 126.2 | -173.7 | 50.6 | 0 | 0 | 0 | 0 | 110.9 | K587 K591 | K587-S589 PolarHBondContact O-N 2.74Å; S589-K591 PolarHBondContact O-N 2.7Å | ||
| 590 | S | 32.7 | Very low | 38.4 | Very low | 116 Ų | 116 | 139.3 Ų | 139.3 | 81% | 0.811 | 66% | 0.664 | S | S | * | * | S | Bend | trans | -78.5 | 56.9 | -168.2 | 47.3 | 0 | 0 | 0 | 0 | 113.8 | R588 | R588-S590 PolarHBondContact O-N 3.43Š|
| 591 | K | 33 | Very low | 37.4 | Very low | 205 Ų | 205 | 140 Ų | 140 | 89% | 0.891 | 68% | 0.677 | S | S | * | * | S | Bend | trans | -125.5 | 38.2 | 173.6 | -79 | -168.5 | 170.5 | -175.3 | 0 | 113.4 | S589 | S589-K591 PolarHBondContact O-N 2.7Š|
| 592 | A | 31.8 | Very low | 36.5 | Very low | 88 Ų | 88 | 144.5 Ų | 144.5 | 73% | 0.727 | 70% | 0.703 | S | S | * | * | S | Bend | trans | -152.8 | 12.6 | 169 | 0 | 0 | 0 | 0 | 0 | 114.1 | ||
| 593 | K | 32.6 | Very low | 35.9 | Very low | 141 Ų | 141 | 148.7 Ų | 148.7 | 61% | 0.613 | 72% | 0.724 | S | S | * | * | trans | -117.9 | 75.2 | -175.4 | -79 | -165.7 | 170.9 | -170.8 | 0 | 112.2 | ||||
| 594 | K | 31.5 | Very low | 36 | Very low | 206 Ų | 206 | 155 Ų | 155 | 90% | 0.896 | 75% | 0.754 | S | S | * | * | S | Bend | trans | -114.8 | -26.9 | 159.4 | -134.8 | -178.5 | -178.5 | -171.5 | 0 | 113.4 | ||
| 595 | E | 34.4 | Very low | 36.6 | Very low | 184 Ų | 184 | 153.2 Ų | 153.2 | 86% | 0.86 | 75% | 0.749 | S | S | * | * | S | Bend | trans | -99.2 | -40.2 | 179.2 | -63.4 | 172.9 | 126.9 | 0 | 0 | 113.5 | R597 | E595-R597 PolarHBondContact O-N 2.98Š|
| 596 | T | 34.6 | Very low | 37.9 | Very low | 84 Ų | 84 | 149.7 Ų | 149.7 | 52% | 0.515 | 74% | 0.738 | S | S | . | * | G | 310 helix | trans | -71.6 | 5.4 | -177.5 | 40.7 | 0 | 0 | 0 | 0 | 115.2 | ||
| 597 | R | 32 | Very low | 39.4 | Very low | 194 Ų | 194 | 146.2 Ų | 146.2 | 73% | 0.732 | 72% | 0.724 | S | S | * | * | G | 310 helix | trans | -82.8 | -14.1 | -179.5 | -142.6 | 172.3 | -175.3 | 176.7 | -1.8 | 113.9 | E595 | E595-R597 PolarHBondContact O-N 2.98Š|
| 598 | K | 34.7 | Very low | 41.2 | Very low | 200 Ų | 200 | 144.1 Ų | 144.1 | 87% | 0.87 | 72% | 0.721 | S | S | * | * | G | 310 helix | trans | -84.3 | -12.1 | 172.9 | -80.4 | -170.2 | 173.3 | -175.2 | 0 | 115.1 | ||
| 599 | K | 33.7 | Very low | 43 | Very low | 187 Ų | 187 | 136.6 Ų | 136.6 | 81% | 0.813 | 70% | 0.7 | S | S | * | * | S | Bend | trans | -110.2 | 16.4 | -177.3 | -72.5 | -168 | 173.1 | -173.8 | 0 | 114.8 | ||
| 600 | A | 35.4 | Very low | 44.9 | Very low | 73 Ų | 73 | 133.4 Ų | 133.4 | 60% | 0.603 | 67% | 0.672 | S | S | * | * | S | Bend | trans | -124.4 | 9.9 | -175.6 | 0 | 0 | 0 | 0 | 0 | 114.5 | ||
| 601 | I | 39.6 | Very low | 47.2 | Very low | 160 Ų | 160 | 131 Ų | 131 | 82% | 0.821 | 65% | 0.649 | S | S | * | * | S | Bend | trans | -107.7 | -16.2 | 170.1 | -65.3 | 172.9 | 0 | 0 | 0 | 110.2 | ||
| 602 | L | 36 | Very low | 49.5 | Very low | 134 Ų | 134 | 124.6 Ų | 124.6 | 70% | 0.702 | 63% | 0.63 | S | S | * | * | S | Bend | trans | -102.1 | 74 | 175.5 | -170.2 | 78.1 | 0 | 0 | 0 | 109.6 | ||
| 603 | N | 38.3 | Very low | 52 | Low | 139 Ų | 139 | 125.5 Ų | 125.5 | 74% | 0.743 | 62% | 0.615 | S | S | * | * | trans | -171.2 | 53.5 | 164.7 | -101 | -6.8 | 0 | 0 | 0 | 111.7 | ||||
| 604 | Q | 46.9 | Very low | 54.5 | Low | 198 Ų | 198 | 119.5 Ų | 119.5 | 93% | 0.925 | 59% | 0.589 | S | S | * | * | trans | -132.6 | 54.5 | 152.9 | -77 | -170 | -29.4 | 0 | 0 | 107.2 | ||||
| 605 | E | 52.4 | Low | 57 | Low | 63 Ų | 63 | 115.5 Ų | 115.5 | 29% | 0.294 | 57% | 0.572 | S | S | . | * | trans | -84 | 125.2 | 179.5 | -174.7 | 174.3 | -124.6 | 0 | 0 | 108.3 | V609 R613 | E605-V609 HydrophobicContact CG-CB 3.87Å; E605-V609 HydrophobicContact CG-CG1 3.73Å; E605-R613 IonicContact OE1-CZ 3.14Å; E605-R613 IonicContact OE1-NH1 3.11Å; E605-R613 PolarHBondContact OE1-NH1 2.94Å; E605-R613 IonicContact OE2-CZ 3.22Å; E605-R613 IonicContact OE2-NH1 2.96Å; E605-R613 PolarHBondContact OE2-NH1 2.87Å; E605-R613 IonicContact OE2-NH2 2.67Å; E605-R613 PolarHBondContact OE2-NH2 2.79Å | ||
| 606 | P | 67.3 | Low | 59.3 | Low | 76 Ų | 76 | 112.5 Ų | 112.5 | 49% | 0.494 | 56% | 0.558 | S | S | . | * | trans | -59 | 149.9 | 178.4 | -24 | 33.6 | 0 | 0 | 0 | 111.9 | D608 V609 R610 | P606-D608 PolarHBondContact O-N 3.05Å; P606-V609 HydrophobicContact CB-CG2 4.19Å; P606-V609 HydrophobicContact CG-CG2 4.21Å; P606-V609 WeakPolarHBondContact O-CB 3.48Å; P606-V609 PolarHBondContact O-N 2.98Å; P606-R610 PolarHBondContact O-N 3.04Å | ||
| 607 | E | 69.8 | Low | 61.7 | Low | 120 Ų | 120 | 110.4 Ų | 110.4 | 56% | 0.561 | 54% | 0.542 | S | S | * | . | H | α-helix | trans | -57.8 | -37.9 | -177.6 | -67.1 | -152.5 | 87.3 | 0 | 0 | 112.6 | V609 R610 I611 | E607-V609 VanDerWaalsContact C-N 3.27Å; E607-V609 PolarHBondContact O-N 3.2Å; E607-R610 WeakPolarHBondContact O-CB 3.49Å; E607-R610 PolarHBondContact O-N 2.75Å; E607-R610 IonicContact OE1-CZ 2.74Å; E607-R610 IonicContact OE1-NH2 3.72Å; E607-R610 PolarHBondContact OE1-NH2 3.23Å; E607-I611 WeakPolarHBondContact O-CB 3.33Å; E607-I611 VanDerWaalsContact O-CG1 3.25Å; E607-I611 WeakPolarHBondContact O-CG1 3.41Å; E607-I611 PolarHBondContact O-N 2.86Å |
| 608 | D | 74.7 | Confident | 64.3 | Low | 121 Ų | 121 | 101.3 Ų | 101.3 | 65% | 0.647 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -60.1 | -37.1 | 176.5 | -50.6 | -63.6 | 0 | 0 | 0 | 112.4 | P606 S612 | P606-D608 PolarHBondContact O-N 3.05Å; D608-S612 WeakPolarHBondContact O-CB 3.44Å; D608-S612 PolarHBondContact O-N 3.35Å; D608-S612 PolarHBondContact O-OG 3.19Å |
| 609 | V | 76 | Confident | 66.6 | Low | 71 Ų | 71 | 93.7 Ų | 93.7 | 43% | 0.43 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -74.4 | -41.1 | 178.4 | -177.7 | 0 | 0 | 0 | 0 | 110.1 | E605 P606 E607 S612 R613 | E605-V609 HydrophobicContact CG-CB 3.87Å; E605-V609 HydrophobicContact CG-CG1 3.73Å; P606-V609 HydrophobicContact CB-CG2 4.19Å; P606-V609 HydrophobicContact CG-CG2 4.21Å; P606-V609 WeakPolarHBondContact O-CB 3.48Å; P606-V609 PolarHBondContact O-N 2.98Å; E607-V609 VanDerWaalsContact C-N 3.27Å; E607-V609 PolarHBondContact O-N 3.2Å; V609-S612 PolarHBondContact O-N 3.48Å; V609-R613 PolarHBondContact O-N 3.38Å |
| 610 | R | 76.6 | Confident | 68.9 | Low | 42 Ų | 42 | 90.1 Ų | 90.1 | 16% | 0.158 | 47% | 0.47 | C | S | . | . | H | α-helix | trans | -59.2 | -49.4 | 172.3 | 179.6 | -174.2 | 65.3 | 83.5 | -9 | 111.3 | P606 E607 R613 L614 E736 | P606-R610 PolarHBondContact O-N 3.04Å; E607-R610 WeakPolarHBondContact O-CB 3.49Å; E607-R610 PolarHBondContact O-N 2.75Å; E607-R610 IonicContact OE1-CZ 2.74Å; E607-R610 IonicContact OE1-NH2 3.72Å; E607-R610 PolarHBondContact OE1-NH2 3.23Å; R610-R613 PolarHBondContact O-N 3.07Å; R610-L614 HydrophobicContact CG-CD1 4.49Å; R610-L614 WeakPolarHBondContact O-CG 3.27Å; R610-L614 PolarHBondContact O-N 2.99Å; R610-E736 VanDerWaalsContact CD-OE1 3.3Å; R610-E736 WeakPolarHBondContact CD-OE1 3.24Å; R610-E736 IonicContact CZ-OE1 3.2Å; R610-E736 IonicContact NE-OE1 2.69Å; R610-E736 PolarHBondContact NE-OE1 3.47Å; R610-E736 IonicContact NH1-OE1 2.84Å; R610-E736 PolarHBondContact NH1-OE1 2.81Å; R610-E736 IonicContact NH2-OE1 2.73Å; R610-E736 PolarHBondContact NH2-OE1 3.12Å |
| 611 | I | 79.8 | Confident | 71.2 | Confident | 64 Ų | 64 | 91.4 Ų | 91.4 | 33% | 0.328 | 46% | 0.463 | S | S | . | . | H | α-helix | trans | -64.1 | -43.1 | 179.5 | -68.5 | 164.4 | 0 | 0 | 0 | 110.1 | E607 R613 L614 K615 | E607-I611 WeakPolarHBondContact O-CB 3.33Å; E607-I611 VanDerWaalsContact O-CG1 3.25Å; E607-I611 WeakPolarHBondContact O-CG1 3.41Å; E607-I611 PolarHBondContact O-N 2.86Å; I611-R613 PolarHBondContact O-N 3.4Å; I611-L614 PolarHBondContact O-N 3.31Å; I611-K615 HydrophobicContact CG2-CD 4.35Å; I611-K615 WeakPolarHBondContact O-CG 3.44Å; I611-K615 PolarHBondContact O-N 3.07Å |
| 612 | S | 81.9 | Confident | 73.3 | Confident | 72 Ų | 72 | 83.8 Ų | 83.8 | 50% | 0.503 | 42% | 0.424 | S | S | . | . | H | α-helix | trans | -58.2 | -45.9 | 174.6 | -64.6 | 0 | 0 | 0 | 0 | 112.2 | D608 V609 L614 K615 Q616 | D608-S612 WeakPolarHBondContact O-CB 3.44Å; D608-S612 PolarHBondContact O-N 3.35Å; D608-S612 PolarHBondContact O-OG 3.19Å; V609-S612 PolarHBondContact O-N 3.48Å; S612-L614 PolarHBondContact O-N 3.09Å; S612-K615 PolarHBondContact O-N 3.11Å; S612-Q616 WeakPolarHBondContact O-CB 3.34Å; S612-Q616 PolarHBondContact O-N 2.98Å |
| 613 | R | 83.8 | Confident | 75.5 | Confident | 106 Ų | 106 | 78.6 Ų | 78.6 | 40% | 0.4 | 40% | 0.396 | S | S | . | . | H | α-helix | trans | -62.1 | -42.3 | 175.2 | -176.7 | -178.9 | 63.5 | -134.5 | -13.4 | 112 | E605 V609 R610 I611 Q616 Q617 | E605-R613 IonicContact OE1-CZ 3.14Å; E605-R613 IonicContact OE1-NH1 3.11Å; E605-R613 PolarHBondContact OE1-NH1 2.94Å; E605-R613 IonicContact OE2-CZ 3.22Å; E605-R613 IonicContact OE2-NH1 2.96Å; E605-R613 PolarHBondContact OE2-NH1 2.87Å; E605-R613 IonicContact OE2-NH2 2.67Å; E605-R613 PolarHBondContact OE2-NH2 2.79Å; V609-R613 PolarHBondContact O-N 3.38Å; R610-R613 PolarHBondContact O-N 3.07Å; I611-R613 PolarHBondContact O-N 3.4Å; R613-Q616 PolarHBondContact O-N 3.37Å; R613-Q617 WeakPolarHBondContact O-CB 3.45Å; R613-Q617 PolarHBondContact O-N 2.9Å |
| 614 | L | 84.4 | Confident | 77.7 | Confident | 15 Ų | 15 | 74 Ų | 74 | 8% | 0.079 | 38% | 0.381 | C | S | . | . | H | α-helix | trans | -68.3 | -35.6 | 179.3 | -68.9 | -177.6 | 0 | 0 | 0 | 112.5 | R610 I611 S612 W618 F677 H733 | R610-L614 HydrophobicContact CG-CD1 4.49Å; R610-L614 WeakPolarHBondContact O-CG 3.27Å; R610-L614 PolarHBondContact O-N 2.99Å; I611-L614 PolarHBondContact O-N 3.31Å; S612-L614 PolarHBondContact O-N 3.09Å; L614-W618 WeakPolarHBondContact O-CB 3.41Å; L614-W618 PolarHBondContact O-N 2.89Å; L614-F677 HydrophobicContact CD2-CD1 4.3Å; L614-F677 HydrophobicContact CD2-CE1 3.67Å; L614-H733 PolarHBondContact O-CE1 3.19Å; L614-H733 VanDerWaalsContact O-CE1 3.25Å |
| 615 | K | 84.2 | Confident | 79.4 | Confident | 123 Ų | 123 | 66.9 Ų | 66.9 | 54% | 0.535 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -62.9 | -44.9 | 169.9 | -75.2 | -177.8 | 175.4 | -173.4 | 0 | 111.5 | I611 S612 W618 S619 M734 | I611-K615 HydrophobicContact CG2-CD 4.35Å; I611-K615 WeakPolarHBondContact O-CG 3.44Å; I611-K615 PolarHBondContact O-N 3.07Å; S612-K615 PolarHBondContact O-N 3.11Å; K615-W618 WeakPolarHBondContact O-CB 3.3Å; K615-W618 PolarHBondContact O-N 2.84Å; K615-S619 PolarHBondContact O-N 2.93Å; K615-S619 PolarHBondContact O-OG 3.02Å; K615-M734 HydrophobicContact CG-CE 3.69Å |
| 616 | Q | 83.1 | Confident | 80.9 | Confident | 121 Ų | 121 | 63.9 Ų | 63.9 | 57% | 0.565 | 34% | 0.338 | S | S | * | . | H | α-helix | trans | -66.1 | -38.5 | 177.6 | -169 | -177.9 | 32.4 | 0 | 0 | 113 | S612 R613 W618 S619 N620 | S612-Q616 WeakPolarHBondContact O-CB 3.34Å; S612-Q616 PolarHBondContact O-N 2.98Å; R613-Q616 PolarHBondContact O-N 3.37Å; Q616-W618 VanDerWaalsContact C-N 3.35Å; Q616-S619 PolarHBondContact O-OG 3.24Å; Q616-N620 WeakPolarHBondContact O-CB 3.23Å; Q616-N620 PolarHBondContact O-N 3.12Å; Q616-N620 VanDerWaalsContact O-N 3.13Å; Q616-N620 PolarHBondContact O-OD1 3.04Å |
| 617 | Q | 84.5 | Confident | 81.6 | Confident | 39 Ų | 39 | 61.3 Ų | 61.3 | 18% | 0.182 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -65.4 | -40.1 | 173.9 | -179.4 | 168.1 | 8.3 | 0 | 0 | 111 | R613 Q621 F677 | R613-Q617 WeakPolarHBondContact O-CB 3.45Å; R613-Q617 PolarHBondContact O-N 2.9Å; Q617-Q621 WeakPolarHBondContact O-CB 3.33Å; Q617-Q621 PolarHBondContact O-N 3.21Å; Q617-F677 PolarHBondContact NE2-O 2.84Å; Q617-F677 VanDerWaalsContact NE2-O 3.15Å |
| 618 | W | 86.7 | Confident | 82.2 | Confident | 4 Ų | 4 | 62.5 Ų | 62.5 | 2% | 0.015 | 33% | 0.326 | C | S | . | . | I | π-helix | trans | -59.3 | -58.3 | 174.7 | -175.7 | -93.3 | 0 | 0 | 0 | 111.5 | L614 K615 Q616 N620 L622 E623 L626 L676 L726 L729 Q730 H733 | L614-W618 WeakPolarHBondContact O-CB 3.41Å; L614-W618 PolarHBondContact O-N 2.89Å; K615-W618 WeakPolarHBondContact O-CB 3.3Å; K615-W618 PolarHBondContact O-N 2.84Å; Q616-W618 VanDerWaalsContact C-N 3.35Å; W618-N620 VanDerWaalsContact C-N 3.26Å; W618-N620 PolarHBondContact O-N 3.34Å; W618-L622 HydrophobicContact CD2-CB 4.25Å; W618-L622 HydrophobicContact CE3-CB 3.9Å; W618-L622 HydrophobicContact CE3-CD1 3.64Å; W618-L622 HydrophobicContact CE3-CG 4.43Å; W618-L622 HydrophobicContact CZ3-CB 4.16Å; W618-L622 HydrophobicContact CZ3-CD1 4.02Å; W618-L622 PolarHBondContact O-N 3.2Å; W618-E623 WeakPolarHBondContact O-CB 3.37Å; W618-E623 PolarHBondContact O-N 2.94Å; W618-L626 HydrophobicContact CH2-CD1 3.55Å; W618-L626 HydrophobicContact CZ2-CD1 4.08Å; W618-L626 HydrophobicContact CZ3-CD1 4.14Å; W618-L676 HydrophobicContact CZ3-CD2 4.31Å; W618-L726 HydrophobicContact CZ2-CD2 3.83Å; W618-L726 HydrophobicContact CZ2-CG 4.08Å; W618-L729 HydrophobicContact CH2-CB 3.73Å; W618-L729 HydrophobicContact CZ3-CB 4.3Å; W618-Q730 HydrophobicContact CD2-CB 4.27Å; W618-Q730 HydrophobicContact CD2-CG 3.95Å; W618-Q730 HydrophobicContact CE3-CB 4.43Å; W618-Q730 HydrophobicContact CE3-CG 4.42Å; W618-Q730 HydrophobicContact CG-CG 4.33Å; W618-Q730 HydrophobicContact CH2-CB 3.86Å; W618-Q730 VanDerWaalsContact CH2-N 3.28Å; W618-Q730 HydrophobicContact CZ2-CB 3.63Å; W618-Q730 HydrophobicContact CZ2-CG 4.1Å; W618-Q730 HydrophobicContact CZ3-CB 4.24Å; W618-H733 HydrophobicContact CE3-CB 3.93Å; W618-H733 AromaticContact CE3-CG 3.97Å; W618-H733 AromaticContact CE3-ND1 3.84Å; W618-H733 HydrophobicContact CZ3-CB 4.07Å |
| 619 | S | 83.3 | Confident | 82.5 | Confident | 40 Ų | 40 | 59.1 Ų | 59.1 | 28% | 0.28 | 31% | 0.307 | S | S | . | . | I | π-helix | trans | -62.4 | -30.3 | -175.4 | 62.4 | 0 | 0 | 0 | 0 | 114 | K615 Q616 E623 | K615-S619 PolarHBondContact O-N 2.93Å; K615-S619 PolarHBondContact O-OG 3.02Å; Q616-S619 PolarHBondContact O-OG 3.24Å; S619-E623 WeakPolarHBondContact CA-OE2 3.37Å |
| 620 | N | 82.4 | Confident | 82.7 | Confident | 112 Ų | 112 | 56.2 Ų | 56.2 | 60% | 0.599 | 29% | 0.289 | S | S | * | . | I | π-helix | trans | -100.4 | -19.7 | -170.9 | -61.9 | 7.2 | 0 | 0 | 0 | 114.2 | Q616 W618 | Q616-N620 WeakPolarHBondContact O-CB 3.23Å; Q616-N620 PolarHBondContact O-N 3.12Å; Q616-N620 VanDerWaalsContact O-N 3.13Å; Q616-N620 PolarHBondContact O-OD1 3.04Å; W618-N620 VanDerWaalsContact C-N 3.26Å; W618-N620 PolarHBondContact O-N 3.34Å |
| 621 | Q | 83 | Confident | 82.6 | Confident | 100 Ų | 100 | 58.4 Ų | 58.4 | 47% | 0.467 | 30% | 0.304 | S | S | . | . | I | π-helix | trans | -129.1 | -23.8 | -174.1 | -59.7 | -176.8 | -10.1 | 0 | 0 | 114.6 | Q617 | Q617-Q621 WeakPolarHBondContact O-CB 3.33Å; Q617-Q621 PolarHBondContact O-N 3.21Å |
| 622 | L | 84.2 | Confident | 82 | Confident | 0 Ų | 0 | 57.9 Ų | 57.9 | 0% | 0 | 31% | 0.314 | C | S | . | . | I | π-helix | trans | -114.2 | -45.8 | -172.2 | -63.7 | 171.9 | 0 | 0 | 0 | 112.1 | W618 L626 L676 | W618-L622 HydrophobicContact CD2-CB 4.25Å; W618-L622 HydrophobicContact CE3-CB 3.9Å; W618-L622 HydrophobicContact CE3-CD1 3.64Å; W618-L622 HydrophobicContact CE3-CG 4.43Å; W618-L622 HydrophobicContact CZ3-CB 4.16Å; W618-L622 HydrophobicContact CZ3-CD1 4.02Å; W618-L622 PolarHBondContact O-N 3.2Å; L622-L626 HydrophobicContact CB-CD1 4.23Å; L622-L626 WeakPolarHBondContact O-CB 3.09Å; L622-L626 WeakPolarHBondContact O-CD1 3.28Å; L622-L626 WeakPolarHBondContact O-CG 3.32Å; L622-L626 PolarHBondContact O-N 3.45Å; L622-L676 HydrophobicContact CD1-CB 4.15Å; L622-L676 HydrophobicContact CD1-CD2 4.14Å; L622-L676 HydrophobicContact CD2-CD2 4.1Å |
| 623 | E | 83.2 | Confident | 80.8 | Confident | 25 Ų | 25 | 58.1 Ų | 58.1 | 12% | 0.117 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -57.3 | -58.3 | -173.7 | -170.3 | -178.5 | 139.1 | 0 | 0 | 112.3 | W618 S619 L626 I627 R714 | W618-E623 WeakPolarHBondContact O-CB 3.37Å; W618-E623 PolarHBondContact O-N 2.94Å; S619-E623 WeakPolarHBondContact CA-OE2 3.37Å; E623-L626 PolarHBondContact O-N 2.76Å; E623-I627 HydrophobicContact CG-CD1 3.88Å; E623-I627 VanDerWaalsContact O-CG1 3.26Å; E623-I627 WeakPolarHBondContact O-CG1 3.45Å; E623-I627 PolarHBondContact O-N 2.94Å; E623-R714 WeakPolarHBondContact OE1-CD 3.15Å |
| 624 | G | 83 | Confident | 78.8 | Confident | 41 Ų | 41 | 56.6 Ų | 56.6 | 42% | 0.423 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -55 | -57 | 179.2 | 0 | 0 | 0 | 0 | 0 | 113.5 | L626 I627 E628 | G624-L626 VanDerWaalsContact C-N 3.32Å; G624-L626 PolarHBondContact O-N 3.43Å; G624-I627 PolarHBondContact O-N 3.3Å; G624-E628 WeakPolarHBondContact O-CB 3.42Å; G624-E628 PolarHBondContact O-N 3.38Å |
| 625 | P | 83.3 | Confident | 76.4 | Confident | 50 Ų | 50 | 66 Ų | 66 | 33% | 0.325 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -63 | -30.9 | 178.3 | -26.7 | 37 | 0 | 0 | 0 | 114.5 | I629 A681 | P625-I629 WeakPolarHBondContact O-CB 3.33Å; P625-I629 WeakPolarHBondContact O-CD1 3.42Å; P625-I629 WeakPolarHBondContact O-CG1 3.39Å; P625-I629 PolarHBondContact O-N 3Å; P625-A681 HydrophobicContact CB-CB 3.84Å |
| 626 | L | 84 | Confident | 74.4 | Confident | 0 Ų | 0 | 68.4 Ų | 68.4 | 0% | 0 | 37% | 0.371 | C | S | . | . | H | α-helix | trans | -70.9 | -41.2 | 173.7 | -73.9 | 171.4 | 0 | 0 | 0 | 111.6 | W618 L622 E623 G624 L630 A681 L685 L726 L729 | W618-L626 HydrophobicContact CH2-CD1 3.55Å; W618-L626 HydrophobicContact CZ2-CD1 4.08Å; W618-L626 HydrophobicContact CZ3-CD1 4.14Å; L622-L626 HydrophobicContact CB-CD1 4.23Å; L622-L626 WeakPolarHBondContact O-CB 3.09Å; L622-L626 WeakPolarHBondContact O-CD1 3.28Å; L622-L626 WeakPolarHBondContact O-CG 3.32Å; L622-L626 PolarHBondContact O-N 3.45Å; E623-L626 PolarHBondContact O-N 2.76Å; G624-L626 VanDerWaalsContact C-N 3.32Å; G624-L626 PolarHBondContact O-N 3.43Å; L626-L630 WeakPolarHBondContact O-CB 3.49Å; L626-L630 WeakPolarHBondContact O-CD1 2.91Å; L626-L630 WeakPolarHBondContact O-CG 3.31Å; L626-L630 PolarHBondContact O-N 2.99Å; L626-A681 HydrophobicContact CD2-CB 3.95Å; L626-A681 HydrophobicContact CG-CB 4.01Å; L626-L685 HydrophobicContact CD2-CB 4.1Å; L626-L726 HydrophobicContact CB-CD1 4.21Å; L626-L729 HydrophobicContact CD1-CD1 4.09Å; L626-L729 HydrophobicContact CD2-CD1 3.94Å |
| 627 | I | 82.3 | Confident | 72.2 | Confident | 22 Ų | 22 | 72.2 Ų | 72.2 | 11% | 0.113 | 39% | 0.389 | C | S | . | . | H | α-helix | trans | -61.6 | -48.1 | 173.5 | -67.3 | 170.3 | 0 | 0 | 0 | 110 | E623 G624 I629 L630 L631 L718 L726 | E623-I627 HydrophobicContact CG-CD1 3.88Å; E623-I627 VanDerWaalsContact O-CG1 3.26Å; E623-I627 WeakPolarHBondContact O-CG1 3.45Å; E623-I627 PolarHBondContact O-N 2.94Å; G624-I627 PolarHBondContact O-N 3.3Å; I627-I629 PolarHBondContact O-N 2.96Å; I627-L630 PolarHBondContact O-N 2.92Å; I627-L631 HydrophobicContact CG2-CD1 3.71Å; I627-L631 HydrophobicContact CG2-CG 4.24Å; I627-L631 WeakPolarHBondContact O-CB 3.3Å; I627-L631 VanDerWaalsContact O-CG 3.32Å; I627-L631 WeakPolarHBondContact O-CG 3.44Å; I627-L631 PolarHBondContact O-N 2.84Å; I627-L718 HydrophobicContact CG1-CD1 4.07Å; I627-L718 HydrophobicContact CG2-CD1 4.26Å; I627-L726 HydrophobicContact CG1-CD1 3.63Å |
| 628 | E | 81.9 | Confident | 69.9 | Low | 145 Ų | 145 | 74.2 Ų | 74.2 | 68% | 0.678 | 41% | 0.408 | S | S | * | . | H | α-helix | trans | -58.8 | -46.1 | 178.5 | -174.7 | 177.9 | -164 | 0 | 0 | 112 | G624 G632 | G624-E628 WeakPolarHBondContact O-CB 3.42Å; G624-E628 PolarHBondContact O-N 3.38Å; E628-G632 PolarHBondContact O-N 3.3Å |
| 629 | I | 81.4 | Confident | 67.5 | Low | 49 Ų | 49 | 82.8 Ų | 82.8 | 25% | 0.251 | 45% | 0.448 | S | S | . | . | H | α-helix | trans | -64.5 | -43.5 | 176.3 | -67.7 | 164.9 | 0 | 0 | 0 | 111 | P625 I627 G632 T633 A681 K682 L685 | P625-I629 WeakPolarHBondContact O-CB 3.33Å; P625-I629 WeakPolarHBondContact O-CD1 3.42Å; P625-I629 WeakPolarHBondContact O-CG1 3.39Å; P625-I629 PolarHBondContact O-N 3Å; I627-I629 PolarHBondContact O-N 2.96Å; I629-G632 CarbonylContact O-C 3.6Å; I629-G632 PolarHBondContact O-N 3.3Å; I629-T633 HydrophobicContact CG2-CG2 4.26Å; I629-T633 WeakPolarHBondContact O-CG2 3.49Å; I629-T633 PolarHBondContact O-N 3.43Å; I629-T633 PolarHBondContact O-OG1 3.49Å; I629-A681 HydrophobicContact CD1-CB 4.24Å; I629-K682 HydrophobicContact CD1-CB 4.04Å; I629-L685 HydrophobicContact CB-CD2 4.47Å; I629-L685 HydrophobicContact CG2-CD2 3.58Å |
| 630 | L | 80.2 | Confident | 65.1 | Low | 11 Ų | 11 | 89.6 Ų | 89.6 | 6% | 0.058 | 48% | 0.475 | C | S | . | . | H | α-helix | trans | -68.4 | -36.8 | -178.4 | -71.8 | 168 | 0 | 0 | 0 | 112.7 | L626 I627 T633 L685 L718 C722 V725 L726 | L626-L630 WeakPolarHBondContact O-CB 3.49Å; L626-L630 WeakPolarHBondContact O-CD1 2.91Å; L626-L630 WeakPolarHBondContact O-CG 3.31Å; L626-L630 PolarHBondContact O-N 2.99Å; I627-L630 PolarHBondContact O-N 2.92Å; L630-T633 PolarHBondContact O-OG1 2.99Å; L630-T633 VanDerWaalsContact O-OG1 3.1Å; L630-L685 HydrophobicContact CD2-CD1 4.39Å; L630-L685 HydrophobicContact CD2-CD2 4.13Å; L630-L685 HydrophobicContact CG-CD2 4.46Å; L630-L718 HydrophobicContact CB-CD2 3.65Å; L630-C722 HydrophobicContact CB-CB 4.35Å; L630-C722 HydrophobicContact CD1-CB 4.37Å; L630-C722 HydrophobicContact CD2-CB 4.42Å; L630-V725 HydrophobicContact CD1-CG1 4.34Å; L630-V725 HydrophobicContact CD2-CG1 4.13Å; L630-L726 HydrophobicContact CD1-CB 4.29Å; L630-L726 HydrophobicContact CD1-CD1 4.2Å |
| 631 | L | 74.2 | Confident | 62.6 | Low | 88 Ų | 88 | 91.6 Ų | 91.6 | 46% | 0.461 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -67 | -39.4 | 169.4 | -68.8 | 172 | 0 | 0 | 0 | 111.6 | I627 L718 | I627-L631 HydrophobicContact CG2-CD1 3.71Å; I627-L631 HydrophobicContact CG2-CG 4.24Å; I627-L631 WeakPolarHBondContact O-CB 3.3Å; I627-L631 VanDerWaalsContact O-CG 3.32Å; I627-L631 WeakPolarHBondContact O-CG 3.44Å; I627-L631 PolarHBondContact O-N 2.84Å; L631-L718 HydrophobicContact CD2-CD2 3.74Å; L631-L718 HydrophobicContact CD2-CG 4.15Å; L631-L718 HydrophobicContact CG-CD2 3.8Å; L631-L718 HydrophobicContact CG-CG 4.41Å |
| 632 | G | 67.7 | Low | 60.5 | Low | 52 Ų | 52 | 95.2 Ų | 95.2 | 54% | 0.536 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -71.1 | -26 | -179.6 | 0 | 0 | 0 | 0 | 0 | 114.8 | E628 I629 A634 | E628-G632 PolarHBondContact O-N 3.3Å; I629-G632 CarbonylContact O-C 3.6Å; I629-G632 PolarHBondContact O-N 3.3Å; G632-A634 PolarHBondContact O-N 2.9Å |
| 633 | T | 56.1 | Low | 58.4 | Low | 78 Ų | 78 | 100.2 Ų | 100.2 | 48% | 0.479 | 54% | 0.538 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -71.5 | 33.6 | 179.6 | 48.7 | 0 | 0 | 0 | 0 | 115.5 | I629 L630 | I629-T633 HydrophobicContact CG2-CG2 4.26Å; I629-T633 WeakPolarHBondContact O-CG2 3.49Å; I629-T633 PolarHBondContact O-N 3.43Å; I629-T633 PolarHBondContact O-OG1 3.49Å; L630-T633 PolarHBondContact O-OG1 2.99Å; L630-T633 VanDerWaalsContact O-OG1 3.1Å |
| 634 | A | 42.3 | Very low | 56.1 | Low | 73 Ų | 73 | 106.2 Ų | 106.2 | 60% | 0.603 | 57% | 0.571 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -90.7 | -15 | 171.3 | 0 | 0 | 0 | 0 | 0 | 113.8 | G632 | G632-A634 PolarHBondContact O-N 2.9Š|
| 635 | Y | 34.4 | Very low | 53.9 | Low | 212 Ų | 212 | 112 Ų | 112 | 83% | 0.831 | 59% | 0.592 | S | S | * | * | S | Bend | trans | -136 | 148.7 | 176.1 | -81.1 | -91.4 | 0 | 0 | 0 | 110.8 | ||
| 636 | Q | 41.3 | Very low | 52 | Low | 175 Ų | 175 | 114.8 Ų | 114.8 | 82% | 0.818 | 60% | 0.6 | S | S | * | * | trans | 72.8 | 59.2 | -174.3 | -60.5 | -176.6 | -36.3 | 0 | 0 | 116.5 | S638 | Q636-S638 PolarHBondContact O-N 3.24Š| ||
| 637 | E | 36.2 | Very low | 50.1 | Low | 200 Ų | 200 | 120.1 Ų | 120.1 | 94% | 0.935 | 63% | 0.627 | S | S | * | * | trans | -78.2 | 80 | 134.1 | -71.2 | -164 | 137.2 | 0 | 0 | 108.3 | ||||
| 638 | S | 36.5 | Very low | 48.6 | Very low | 82 Ų | 82 | 125.8 Ų | 125.8 | 57% | 0.573 | 66% | 0.657 | S | S | * | * | trans | -119.8 | 115.1 | 171.3 | 51.5 | 0 | 0 | 0 | 0 | 108.6 | Q636 | Q636-S638 PolarHBondContact O-N 3.24Š| ||
| 639 | E | 36.1 | Very low | 47.1 | Very low | 183 Ų | 183 | 123.5 Ų | 123.5 | 86% | 0.855 | 65% | 0.65 | S | S | * | * | trans | -68 | 157.2 | 170.8 | -56.7 | -176.8 | 132.8 | 0 | 0 | 110.4 | ||||
| 640 | Q | 33.7 | Very low | 45.9 | Very low | 183 Ų | 183 | 122.9 Ų | 122.9 | 86% | 0.855 | 65% | 0.648 | S | S | * | * | trans | 99.5 | 137.1 | 176.6 | -56.9 | 169.5 | -9.5 | 0 | 0 | 117.1 | ||||
| 641 | D | 30.3 | Very low | 45.2 | Very low | 155 Ų | 155 | 128.9 Ų | 128.9 | 83% | 0.829 | 67% | 0.67 | S | S | * | * | trans | 62.4 | 73.9 | 157.8 | -56.7 | -2.2 | 0 | 0 | 0 | 121.7 | ||||
| 642 | E | 39.1 | Very low | 45.1 | Very low | 176 Ų | 176 | 125 Ų | 125 | 82% | 0.822 | 65% | 0.65 | S | S | * | * | S | Bend | trans | -121.3 | 113.2 | 136.6 | -83.8 | -173.4 | 170.7 | 0 | 0 | 109.5 | ||
| 643 | S | 39.3 | Very low | 45.5 | Very low | 104 Ų | 104 | 126.3 Ų | 126.3 | 73% | 0.727 | 64% | 0.641 | S | S | * | * | trans | -18.3 | 144.1 | 178.6 | 54 | 0 | 0 | 0 | 0 | 121.5 | D645 | S643-D645 VanDerWaalsContact C-N 3.28Å; S643-D645 PolarHBondContact O-N 3.44Å | ||
| 644 | D | 34.9 | Very low | 46.4 | Very low | 152 Ų | 152 | 125 Ų | 125 | 81% | 0.813 | 63% | 0.631 | S | S | * | * | G | 310 helix | trans | -58.5 | -5.7 | -174.9 | -74.1 | -60.4 | 0 | 0 | 0 | 119.1 | E646 | D644-E646 PolarHBondContact O-N 3.34Š|
| 645 | D | 38 | Very low | 47.7 | Very low | 161 Ų | 161 | 125.1 Ų | 125.1 | 86% | 0.861 | 63% | 0.632 | S | S | * | * | G | 310 helix | trans | -85 | -2.7 | -165.1 | -87.9 | -49.4 | 0 | 0 | 0 | 117.1 | S643 | S643-D645 VanDerWaalsContact C-N 3.28Å; S643-D645 PolarHBondContact O-N 3.44Å |
| 646 | E | 43.3 | Very low | 49.6 | Very low | 109 Ų | 109 | 120.9 Ų | 120.9 | 51% | 0.509 | 63% | 0.629 | S | S | . | * | G | 310 helix | trans | -100.6 | 15.4 | 174.2 | -85.5 | -138.9 | 132.1 | 0 | 0 | 114.6 | D644 N648 D649 R683 | D644-E646 PolarHBondContact O-N 3.34Å; E646-N648 VanDerWaalsContact C-N 3.26Å; E646-N648 PolarHBondContact O-N 3.16Å; E646-D649 PolarHBondContact O-N 3.3Å; E646-R683 VanDerWaalsContact CD-NH1 3.32Å; E646-R683 IonicContact OE1-CZ 3.87Å; E646-R683 IonicContact OE1-NH1 2.61Å; E646-R683 PolarHBondContact OE1-NH1 2.88Å; E646-R683 IonicContact OE1-NH2 2.93Å; E646-R683 PolarHBondContact OE1-NH2 3.47Å; E646-R683 IonicContact OE2-CZ 2.98Å; E646-R683 IonicContact OE2-NH1 2.67Å; E646-R683 PolarHBondContact OE2-NH1 2.89Å |
| 647 | M | 42.3 | Very low | 50.6 | Low | 113 Ų | 113 | 115.7 Ų | 115.7 | 56% | 0.557 | 61% | 0.609 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -65.7 | -10.2 | -162.3 | -143.3 | -158.7 | 72.4 | 0 | 0 | 117.5 | ||
| 648 | N | 51.8 | Low | 52.1 | Low | 140 Ų | 140 | 109.9 Ų | 109.9 | 75% | 0.749 | 60% | 0.602 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -96.9 | -37.3 | -178.5 | -80 | -45.9 | 0 | 0 | 0 | 114.6 | E646 T650 | E646-N648 VanDerWaalsContact C-N 3.26Å; E646-N648 PolarHBondContact O-N 3.16Å; N648-T650 PolarHBondContact O-N 2.72Å |
| 649 | D | 50.6 | Low | 53.9 | Low | 97 Ų | 97 | 109.5 Ų | 109.5 | 52% | 0.519 | 59% | 0.594 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -80.5 | -21.9 | -167.6 | -142.5 | 40 | 0 | 0 | 0 | 112.6 | E646 R671 R683 | E646-D649 PolarHBondContact O-N 3.3Å; D649-R671 PolarHBondContact O-NH1 3.49Å; D649-R683 IonicContact OD2-NH2 2.65Å; D649-R683 PolarHBondContact OD2-NH2 3.39Å |
| 650 | T | 56 | Low | 56.1 | Low | 37 Ų | 37 | 103.7 Ų | 103.7 | 23% | 0.227 | 57% | 0.573 | C | S | . | * | T | Hydrogen-bonded Turn | trans | -93 | -2.4 | -175.3 | 58.7 | 0 | 0 | 0 | 0 | 115.3 | N648 L652 | N648-T650 PolarHBondContact O-N 2.72Å; T650-L652 PolarHBondContact O-N 3.19Å |
| 651 | R | 66.4 | Low | 58.3 | Low | 137 Ų | 137 | 101.5 Ų | 101.5 | 52% | 0.517 | 56% | 0.563 | S | S | . | * | trans | -72.9 | 103.7 | 170.1 | -79.2 | -171.5 | 175 | -172 | -0.4 | 111.2 | R671 | R651-R671 PolarHBondContact O-NH1 3.03Å; R651-R671 PolarHBondContact O-NH2 3.26Å | ||
| 652 | L | 71.2 | Confident | 60.7 | Low | 6 Ų | 6 | 98.4 Ų | 98.4 | 3% | 0.031 | 55% | 0.546 | C | S | . | . | trans | -83.2 | -21.1 | 177.9 | -64.8 | 174.7 | 0 | 0 | 0 | 114 | T650 A668 R671 M687 R690 M691 L694 | T650-L652 PolarHBondContact O-N 3.19Å; L652-A668 HydrophobicContact CB-CB 4.17Å; L652-A668 HydrophobicContact CD2-CB 4.13Å; L652-R671 HydrophobicContact CD2-CB 4.38Å; L652-M687 VanDerWaalsContact CD1-O 3.3Å; L652-M687 WeakPolarHBondContact CD1-O 3.23Å; L652-M687 HydrophobicContact CD2-CE 3.83Å; L652-R690 HydrophobicContact CD1-CB 3.88Å; L652-M691 HydrophobicContact CD1-CB 4.03Å; L652-L694 HydrophobicContact CB-CD1 4.05Å | ||
| 653 | F | 75.4 | Confident | 62.6 | Low | 80 Ų | 80 | 95.2 Ų | 95.2 | 35% | 0.351 | 53% | 0.532 | S | S | . | . | trans | -126.6 | 140.1 | 177.7 | -179 | -102.3 | 0 | 0 | 0 | 109.1 | A655 Q664 L694 W695 | F653-A655 HydrophobicContact CE1-CB 4.05Å; F653-A655 HydrophobicContact CZ-CB 4.48Å; F653-Q664 HydrophobicContact CD2-CB 4.35Å; F653-L694 HydrophobicContact CB-CD1 4.11Å; F653-W695 HydrophobicContact CB-CH2 4.03Å; F653-W695 AromaticContact CD2-CH2 3.95Å; F653-W695 HydrophobicContact CD2-CH2 3.95Å; F653-W695 AromaticContact CD2-CZ2 3.71Å; F653-W695 HydrophobicContact CD2-CZ2 3.71Å; F653-W695 HydrophobicContact CE2-CZ2 4.42Å; F653-W695 HydrophobicContact CG-CH2 4.48Å | ||
| 654 | D | 75.8 | Confident | 64.8 | Low | 49 Ų | 49 | 90.9 Ų | 90.9 | 26% | 0.262 | 50% | 0.5 | S | S | . | . | trans | -148.1 | 99.3 | 176.5 | -168.9 | -20.6 | 0 | 0 | 0 | 111.1 | T656 T657 Q664 | D654-T656 PolarHBondContact O-N 2.87Å; D654-T656 VanDerWaalsContact O-N 3.16Å; D654-T656 WeakPolarHBondContact OD1-CB 3.2Å; D654-T656 PolarHBondContact OD1-N 3.42Å; D654-T656 PolarHBondContact OD1-OG1 3.49Å; D654-T657 HydrophobicContact CB-CG2 3.83Å; D654-T657 PolarHBondContact O-N 3.05Å; D654-T657 PolarHBondContact O-OG1 2.91Å; D654-Q664 PolarHBondContact O-NE2 3.44Å; D654-Q664 PolarHBondContact O-OE1 2.96Å | ||
| 655 | A | 70.1 | Confident | 67.3 | Low | 77 Ų | 77 | 84.9 Ų | 84.9 | 64% | 0.636 | 47% | 0.468 | S | S | * | . | G | 310 helix | trans | -59.9 | -20.3 | 178.3 | 0 | 0 | 0 | 0 | 0 | 114 | F653 T657 | F653-A655 HydrophobicContact CE1-CB 4.05Å; F653-A655 HydrophobicContact CZ-CB 4.48Å; A655-T657 VanDerWaalsContact C-N 3.28Å; A655-T657 PolarHBondContact O-N 2.99Å |
| 656 | T | 72.9 | Confident | 69.5 | Low | 123 Ų | 123 | 81.6 Ų | 81.6 | 76% | 0.755 | 45% | 0.446 | S | S | * | . | G | 310 helix | trans | -75.7 | -17.6 | -179.4 | 70.8 | 0 | 0 | 0 | 0 | 113.1 | D654 G658 | D654-T656 PolarHBondContact O-N 2.87Å; D654-T656 VanDerWaalsContact O-N 3.16Å; D654-T656 WeakPolarHBondContact OD1-CB 3.2Å; D654-T656 PolarHBondContact OD1-N 3.42Å; D654-T656 PolarHBondContact OD1-OG1 3.49Å; T656-G658 PolarHBondContact O-N 3.47Å |
| 657 | T | 63.6 | Low | 71.4 | Confident | 66 Ų | 66 | 78.5 Ų | 78.5 | 41% | 0.405 | 44% | 0.436 | S | S | . | . | G | 310 helix | trans | -82.7 | -5.9 | -169.5 | 65.7 | 0 | 0 | 0 | 0 | 115 | D654 A655 N659 | D654-T657 HydrophobicContact CB-CG2 3.83Å; D654-T657 PolarHBondContact O-N 3.05Å; D654-T657 PolarHBondContact O-OG1 2.91Å; A655-T657 VanDerWaalsContact C-N 3.28Å; A655-T657 PolarHBondContact O-N 2.99Å; T657-N659 VanDerWaalsContact CB-ND2 3.26Å; T657-N659 WeakPolarHBondContact CB-ND2 3.37Å; T657-N659 PolarHBondContact O-N 3.43Å; T657-N659 PolarHBondContact O-ND2 3.48Å; T657-N659 PolarHBondContact OG1-ND2 3.44Å |
| 658 | G | 67.4 | Low | 73.4 | Confident | 77 Ų | 77 | 73.1 Ų | 73.1 | 79% | 0.794 | 41% | 0.409 | S | S | * | . | trans | 66.3 | 3.9 | 178.7 | 0 | 0 | 0 | 0 | 0 | 115.7 | T656 | T656-G658 PolarHBondContact O-N 3.47Š| ||
| 659 | N | 74.9 | Confident | 75.1 | Confident | 75 Ų | 75 | 67.7 Ų | 67.7 | 40% | 0.401 | 38% | 0.38 | S | S | . | . | trans | -78 | 138.5 | 178.2 | -63.5 | -64.6 | 0 | 0 | 0 | 110.7 | T657 Q663 Q664 | T657-N659 VanDerWaalsContact CB-ND2 3.26Å; T657-N659 WeakPolarHBondContact CB-ND2 3.37Å; T657-N659 PolarHBondContact O-N 3.43Å; T657-N659 PolarHBondContact O-ND2 3.48Å; T657-N659 PolarHBondContact OG1-ND2 3.44Å; N659-Q663 HydrophobicContact CB-CB 4.29Å; N659-Q664 HydrophobicContact CB-CG 3.97Å; N659-Q664 PolarHBondContact O-NE2 3.15Å | ||
| 660 | S | 81.1 | Confident | 76.8 | Confident | 60 Ų | 60 | 66.1 Ų | 66.1 | 42% | 0.42 | 37% | 0.367 | S | S | . | . | trans | -59.9 | 149.5 | 173.6 | 63.2 | 0 | 0 | 0 | 0 | 111.3 | D662 Q663 Q664 | S660-D662 PolarHBondContact O-N 2.77Å; S660-D662 VanDerWaalsContact O-N 3.17Å; S660-Q663 WeakPolarHBondContact O-CA 3.44Å; S660-Q663 WeakPolarHBondContact O-CB 3.46Å; S660-Q663 PolarHBondContact O-N 3.25Å; S660-Q663 WeakPolarHBondContact OG-CG 3.39Å; S660-Q663 PolarHBondContact OG-NE2 3.38Å; S660-Q664 PolarHBondContact O-N 2.53Å; S660-Q664 VanDerWaalsContact O-N 3.12Å | ||
| 661 | E | 79.2 | Confident | 78.2 | Confident | 138 Ų | 138 | 68.5 Ų | 68.5 | 65% | 0.645 | 37% | 0.372 | S | S | * | . | H | α-helix | trans | -53.7 | -41.8 | -175.2 | -63.2 | 173.1 | 155.2 | 0 | 0 | 111.7 | Q663 Q664 L665 | E661-Q663 VanDerWaalsContact C-N 3.27Å; E661-Q663 PolarHBondContact O-N 3.18Å; E661-Q664 CarbonylContact O-C 3.53Å; E661-Q664 WeakPolarHBondContact O-CA 3.37Å; E661-Q664 PolarHBondContact O-N 3.41Å; E661-L665 WeakPolarHBondContact O-CB 3.32Å; E661-L665 PolarHBondContact O-N 2.67Å |
| 662 | D | 81.4 | Confident | 79.2 | Confident | 89 Ų | 89 | 62 Ų | 62 | 48% | 0.476 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -46.2 | -42.2 | 169.3 | -144.6 | 53.8 | 0 | 0 | 0 | 114.5 | S660 K666 | S660-D662 PolarHBondContact O-N 2.77Å; S660-D662 VanDerWaalsContact O-N 3.17Å; D662-K666 WeakPolarHBondContact O-CB 3.4Å; D662-K666 VanDerWaalsContact O-CD 3.23Å; D662-K666 WeakPolarHBondContact O-CD 3.45Å; D662-K666 WeakPolarHBondContact O-CG 3.39Å; D662-K666 PolarHBondContact O-N 2.96Å; D662-K666 VanDerWaalsContact O-N 3.15Å; D662-K666 IonicContact OD1-NZ 3.59Å; D662-K666 IonicContact OD2-NZ 3.61Å; D662-K666 PolarHBondContact OD2-NZ 3.17Å |
| 663 | Q | 79.9 | Confident | 80.1 | Confident | 109 Ų | 109 | 62.5 Ų | 62.5 | 51% | 0.509 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -80.6 | -34.3 | 178.3 | -66.1 | 179.8 | 54.9 | 0 | 0 | 111.8 | N659 S660 E661 K666 S667 | N659-Q663 HydrophobicContact CB-CB 4.29Å; S660-Q663 WeakPolarHBondContact O-CA 3.44Å; S660-Q663 WeakPolarHBondContact O-CB 3.46Å; S660-Q663 PolarHBondContact O-N 3.25Å; S660-Q663 WeakPolarHBondContact OG-CG 3.39Å; S660-Q663 PolarHBondContact OG-NE2 3.38Å; E661-Q663 VanDerWaalsContact C-N 3.27Å; E661-Q663 PolarHBondContact O-N 3.18Å; Q663-K666 PolarHBondContact O-N 2.94Å; Q663-S667 PolarHBondContact O-N 2.98Å |
| 664 | Q | 84.2 | Confident | 80.5 | Confident | 14 Ų | 14 | 60.6 Ų | 60.6 | 7% | 0.065 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -66.6 | -46.2 | 175.3 | -58.1 | -160.1 | 40.8 | 0 | 0 | 110.7 | F653 D654 N659 S660 E661 K666 S667 A668 W695 | F653-Q664 HydrophobicContact CD2-CB 4.35Å; D654-Q664 PolarHBondContact O-NE2 3.44Å; D654-Q664 PolarHBondContact O-OE1 2.96Å; N659-Q664 HydrophobicContact CB-CG 3.97Å; N659-Q664 PolarHBondContact O-NE2 3.15Å; S660-Q664 PolarHBondContact O-N 2.53Å; S660-Q664 VanDerWaalsContact O-N 3.12Å; E661-Q664 CarbonylContact O-C 3.53Å; E661-Q664 WeakPolarHBondContact O-CA 3.37Å; E661-Q664 PolarHBondContact O-N 3.41Å; Q664-K666 PolarHBondContact O-N 2.85Å; Q664-S667 CarbonylContact O-C 3.5Å; Q664-S667 WeakPolarHBondContact O-CA 3.3Å; Q664-S667 VanDerWaalsContact O-CB 3.31Å; Q664-S667 WeakPolarHBondContact O-CB 3.42Å; Q664-S667 PolarHBondContact O-N 3.13Å; Q664-S667 PolarHBondContact O-OG 2.97Å; Q664-A668 PolarHBondContact O-N 3.44Å; Q664-W695 HydrophobicContact CB-CH2 4.28Å; Q664-W695 HydrophobicContact CB-CZ2 4.02Å |
| 665 | L | 87.3 | Confident | 80.9 | Confident | 25 Ų | 25 | 58.7 Ų | 58.7 | 13% | 0.131 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -56.3 | -49.6 | 171.3 | 174.4 | 61.5 | 0 | 0 | 0 | 111.7 | E661 S667 A668 I669 W695 V698 | E661-L665 WeakPolarHBondContact O-CB 3.32Å; E661-L665 PolarHBondContact O-N 2.67Å; L665-S667 PolarHBondContact O-N 3.28Å; L665-S667 VanDerWaalsContact O-N 3.15Å; L665-A668 PolarHBondContact O-N 3.43Å; L665-I669 HydrophobicContact CD1-CD1 3.91Å; L665-I669 HydrophobicContact CD1-CG1 4.02Å; L665-I669 HydrophobicContact CG-CD1 3.97Å; L665-I669 HydrophobicContact CG-CG1 4.48Å; L665-I669 WeakPolarHBondContact O-CG1 3.4Å; L665-I669 PolarHBondContact O-N 2.92Å; L665-W695 HydrophobicContact CB-CD2 4.28Å; L665-W695 HydrophobicContact CB-CZ2 4.2Å; L665-W695 HydrophobicContact CD1-CB 4.26Å; L665-W695 HydrophobicContact CD1-CD2 3.9Å; L665-W695 HydrophobicContact CD1-CE3 4.06Å; L665-W695 HydrophobicContact CD1-CG 4Å; L665-V698 HydrophobicContact CD1-CG2 4.02Å; L665-V698 HydrophobicContact CD2-CG2 3.79Å |
| 666 | K | 84.7 | Confident | 81.7 | Confident | 93 Ų | 93 | 55 Ų | 55 | 40% | 0.404 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -64 | -17.6 | 175.3 | -73 | 162.8 | -170.3 | 157.8 | 0 | 113.2 | D662 Q663 Q664 R670 | D662-K666 WeakPolarHBondContact O-CB 3.4Å; D662-K666 VanDerWaalsContact O-CD 3.23Å; D662-K666 WeakPolarHBondContact O-CD 3.45Å; D662-K666 WeakPolarHBondContact O-CG 3.39Å; D662-K666 PolarHBondContact O-N 2.96Å; D662-K666 VanDerWaalsContact O-N 3.15Å; D662-K666 IonicContact OD1-NZ 3.59Å; D662-K666 IonicContact OD2-NZ 3.61Å; D662-K666 PolarHBondContact OD2-NZ 3.17Å; Q663-K666 PolarHBondContact O-N 2.94Å; Q664-K666 PolarHBondContact O-N 2.85Å; K666-R670 WeakPolarHBondContact O-CG 3.37Å |
| 667 | S | 82.8 | Confident | 82.4 | Confident | 43 Ų | 43 | 53.4 Ų | 53.4 | 30% | 0.301 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -83 | -40.6 | 168.6 | 92.8 | 0 | 0 | 0 | 0 | 112 | Q663 Q664 L665 R670 R671 | Q663-S667 PolarHBondContact O-N 2.98Å; Q664-S667 CarbonylContact O-C 3.5Å; Q664-S667 WeakPolarHBondContact O-CA 3.3Å; Q664-S667 VanDerWaalsContact O-CB 3.31Å; Q664-S667 WeakPolarHBondContact O-CB 3.42Å; Q664-S667 PolarHBondContact O-N 3.13Å; Q664-S667 PolarHBondContact O-OG 2.97Å; L665-S667 PolarHBondContact O-N 3.28Å; L665-S667 VanDerWaalsContact O-N 3.15Å; S667-R670 PolarHBondContact O-N 3.26Å; S667-R671 WeakPolarHBondContact O-CG 3.43Å; S667-R671 PolarHBondContact O-N 3.07Å; S667-R671 VanDerWaalsContact O-N 3.08Å |
| 668 | A | 85.9 | Confident | 83.3 | Confident | 0 Ų | 0 | 54 Ų | 54 | 0% | 0 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -63.9 | -48.5 | 179.1 | 0 | 0 | 0 | 0 | 0 | 111.6 | L652 Q664 L665 R670 R671 V672 M691 W695 | L652-A668 HydrophobicContact CB-CB 4.17Å; L652-A668 HydrophobicContact CD2-CB 4.13Å; Q664-A668 PolarHBondContact O-N 3.44Å; L665-A668 PolarHBondContact O-N 3.43Å; A668-R670 VanDerWaalsContact C-N 3.27Å; A668-R670 PolarHBondContact O-N 3.17Å; A668-R671 PolarHBondContact O-N 3.04Å; A668-V672 PolarHBondContact O-N 3.2Å; A668-M691 HydrophobicContact CB-CG 4.1Å; A668-M691 HydrophobicContact CB-SD 4.02Å; A668-W695 HydrophobicContact CB-CH2 4.36Å; A668-W695 HydrophobicContact CB-CZ3 3.92Å |
| 669 | I | 87.4 | Confident | 84 | Confident | 27 Ų | 27 | 51.7 Ų | 51.7 | 14% | 0.138 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -59.3 | -40.2 | 176.6 | -55.7 | 164.6 | 0 | 0 | 0 | 110.2 | L665 R671 V672 Q673 M691 I732 L737 | L665-I669 HydrophobicContact CD1-CD1 3.91Å; L665-I669 HydrophobicContact CD1-CG1 4.02Å; L665-I669 HydrophobicContact CG-CD1 3.97Å; L665-I669 HydrophobicContact CG-CG1 4.48Å; L665-I669 WeakPolarHBondContact O-CG1 3.4Å; L665-I669 PolarHBondContact O-N 2.92Å; I669-R671 VanDerWaalsContact C-N 3.32Å; I669-R671 PolarHBondContact O-N 3.39Å; I669-V672 PolarHBondContact O-N 3.15Å; I669-Q673 WeakPolarHBondContact O-CB 3.46Å; I669-Q673 PolarHBondContact O-N 3.2Å; I669-M691 HydrophobicContact CB-SD 4.29Å; I669-M691 HydrophobicContact CG1-CE 4.1Å; I669-M691 HydrophobicContact CG1-SD 3.58Å; I669-M691 VanDerWaalsContact CG1-SD 3.58Å; I669-I732 HydrophobicContact CG2-CG1 4.15Å; I669-I732 HydrophobicContact CG2-CG2 3.86Å; I669-L737 HydrophobicContact CB-CD1 4.16Å; I669-L737 HydrophobicContact CG2-CD1 3.61Å |
| 670 | R | 85.5 | Confident | 84.5 | Confident | 64 Ų | 64 | 50.4 Ų | 50.4 | 24% | 0.242 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -63.2 | -31.9 | 173.9 | -82.2 | -168.7 | -179 | 113.2 | -4 | 113.7 | K666 S667 A668 A674 L737 G738 | K666-R670 WeakPolarHBondContact O-CG 3.37Å; S667-R670 PolarHBondContact O-N 3.26Å; A668-R670 VanDerWaalsContact C-N 3.27Å; A668-R670 PolarHBondContact O-N 3.17Å; R670-A674 VanDerWaalsContact O-CB 3.27Å; R670-A674 WeakPolarHBondContact O-CB 3.45Å; R670-A674 PolarHBondContact O-N 3Å; R670-L737 HydrophobicContact CG-CB 3.88Å; R670-L737 HydrophobicContact CG-CD1 3.88Å; R670-L737 HydrophobicContact CG-CG 4.31Å; R670-L737 PolarHBondContact NE-O 3.44Å; R670-L737 VanDerWaalsContact NE-O 3.11Å; R670-L737 PolarHBondContact NH2-O 3.43Å; R670-G738 PolarHBondContact NH2-O 2.96Å |
| 671 | R | 85.1 | Confident | 84.7 | Confident | 87 Ų | 87 | 47.9 Ų | 47.9 | 33% | 0.328 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -72.9 | -41.1 | 174 | -61.4 | -163.5 | -152.2 | 176.6 | 14.6 | 111.6 | D649 R651 L652 S667 A668 I669 A674 A675 M687 | D649-R671 PolarHBondContact O-NH1 3.49Å; R651-R671 PolarHBondContact O-NH1 3.03Å; R651-R671 PolarHBondContact O-NH2 3.26Å; L652-R671 HydrophobicContact CD2-CB 4.38Å; S667-R671 WeakPolarHBondContact O-CG 3.43Å; S667-R671 PolarHBondContact O-N 3.07Å; S667-R671 VanDerWaalsContact O-N 3.08Å; A668-R671 PolarHBondContact O-N 3.04Å; I669-R671 VanDerWaalsContact C-N 3.32Å; I669-R671 PolarHBondContact O-N 3.39Å; R671-A674 PolarHBondContact O-N 2.64Å; R671-A675 PolarHBondContact O-N 2.81Å; R671-M687 HydrophobicContact CB-CE 3.61Å |
| 672 | V | 88.4 | Confident | 84.9 | Confident | 0 Ų | 0 | 48.1 Ų | 48.1 | 0% | 0 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -59.8 | -48.5 | 172.7 | 177.4 | 0 | 0 | 0 | 0 | 110.3 | A668 I669 A674 A675 L676 M687 A688 M691 L729 I732 | A668-V672 PolarHBondContact O-N 3.2Å; I669-V672 PolarHBondContact O-N 3.15Å; V672-A674 VanDerWaalsContact C-N 3.35Å; V672-A674 PolarHBondContact O-N 3.15Å; V672-A675 WeakPolarHBondContact O-CB 3.42Å; V672-A675 PolarHBondContact O-N 2.93Å; V672-A675 VanDerWaalsContact O-N 3.13Å; V672-L676 HydrophobicContact CG1-CD1 4.27Å; V672-L676 WeakPolarHBondContact O-CG 3.38Å; V672-L676 PolarHBondContact O-N 2.6Å; V672-M687 HydrophobicContact CG2-CB 4Å; V672-A688 HydrophobicContact CG1-CB 4.12Å; V672-A688 HydrophobicContact CG2-CB 4.48Å; V672-M691 HydrophobicContact CG2-SD 4.08Å; V672-L729 HydrophobicContact CG1-CD2 4.04Å; V672-I732 HydrophobicContact CB-CG2 4.47Å; V672-I732 HydrophobicContact CG1-CD1 4.43Å; V672-I732 HydrophobicContact CG1-CG2 4.12Å |
| 673 | Q | 88.4 | Confident | 85.1 | Confident | 17 Ų | 17 | 47.5 Ų | 47.5 | 8% | 0.079 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -61.5 | -40.1 | 177.2 | -168.6 | -178 | 42.4 | 0 | 0 | 112.4 | I669 A675 L676 F677 I732 H733 T735 | I669-Q673 WeakPolarHBondContact O-CB 3.46Å; I669-Q673 PolarHBondContact O-N 3.2Å; Q673-A675 VanDerWaalsContact C-N 3.32Å; Q673-A675 PolarHBondContact O-N 3.42Å; Q673-L676 PolarHBondContact O-N 3.23Å; Q673-F677 HydrophobicContact CG-CD2 3.97Å; Q673-F677 HydrophobicContact CG-CE1 4.38Å; Q673-F677 HydrophobicContact CG-CE2 3.47Å; Q673-F677 VanDerWaalsContact CG-CE2 3.47Å; Q673-F677 HydrophobicContact CG-CZ 3.7Å; Q673-F677 WeakPolarHBondContact O-CG 3.47Å; Q673-F677 PolarHBondContact O-N 2.68Å; Q673-I732 HydrophobicContact CB-CG2 3.96Å; Q673-I732 WeakPolarHBondContact CG-O 3.41Å; Q673-I732 PolarHBondContact NE2-O 3.23Å; Q673-H733 PolarHBondContact NE2-O 2.97Å; Q673-T735 PolarHBondContact NE2-O 3.07Å |
| 674 | A | 84.5 | Confident | 85.4 | Confident | 39 Ų | 39 | 42.3 Ų | 42.3 | 32% | 0.322 | 23% | 0.225 | S | C | . | . | H | α-helix | trans | -63.9 | -35.3 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | R670 R671 V672 A678 | R670-A674 VanDerWaalsContact O-CB 3.27Å; R670-A674 WeakPolarHBondContact O-CB 3.45Å; R670-A674 PolarHBondContact O-N 3Å; R671-A674 PolarHBondContact O-N 2.64Å; V672-A674 VanDerWaalsContact C-N 3.35Å; V672-A674 PolarHBondContact O-N 3.15Å; A674-A678 VanDerWaalsContact O-CB 3.31Å; A674-A678 WeakPolarHBondContact O-CB 3.44Å; A674-A678 PolarHBondContact O-N 3.41Å |
| 675 | A | 84.5 | Confident | 85.6 | Confident | 10 Ų | 10 | 42 Ų | 42 | 8% | 0.083 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -69 | -36 | 173.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | R671 V672 Q673 A678 G679 S680 A684 | R671-A675 PolarHBondContact O-N 2.81Å; V672-A675 WeakPolarHBondContact O-CB 3.42Å; V672-A675 PolarHBondContact O-N 2.93Å; V672-A675 VanDerWaalsContact O-N 3.13Å; Q673-A675 VanDerWaalsContact C-N 3.32Å; Q673-A675 PolarHBondContact O-N 3.42Å; A675-A678 PolarHBondContact O-N 2.93Å; A675-G679 PolarHBondContact O-N 3.07Å; A675-S680 PolarHBondContact O-N 3.26Å; A675-A684 HydrophobicContact CB-CB 3.94Å |
| 676 | L | 87.7 | Confident | 85.4 | Confident | 0 Ų | 0 | 43.5 Ų | 43.5 | 0% | 0 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -65.9 | -48.8 | 172.9 | -66.9 | 167.9 | 0 | 0 | 0 | 111.5 | W618 L622 V672 Q673 A678 G679 A684 L729 I732 H733 | W618-L676 HydrophobicContact CZ3-CD2 4.31Å; L622-L676 HydrophobicContact CD1-CB 4.15Å; L622-L676 HydrophobicContact CD1-CD2 4.14Å; L622-L676 HydrophobicContact CD2-CD2 4.1Å; V672-L676 HydrophobicContact CG1-CD1 4.27Å; V672-L676 WeakPolarHBondContact O-CG 3.38Å; V672-L676 PolarHBondContact O-N 2.6Å; Q673-L676 PolarHBondContact O-N 3.23Å; L676-A678 PolarHBondContact O-N 3.19Å; L676-G679 PolarHBondContact O-N 3.05Å; L676-A684 HydrophobicContact CD2-CB 3.47Å; L676-A684 VanDerWaalsContact CD2-CB 3.47Å; L676-A684 HydrophobicContact CG-CB 3.74Å; L676-L729 HydrophobicContact CD1-CD2 4.28Å; L676-L729 HydrophobicContact CD2-CD2 4.48Å; L676-I732 HydrophobicContact CD1-CB 4.4Å; L676-I732 HydrophobicContact CD1-CG2 4.05Å; L676-H733 HydrophobicContact CD1-CB 4.17Å |
| 677 | F | 85.9 | Confident | 85.4 | Confident | 88 Ų | 88 | 39.6 Ų | 39.6 | 39% | 0.386 | 22% | 0.22 | S | C | . | . | H | α-helix | trans | -63.7 | -23.6 | 175.6 | -67.2 | -32.1 | 0 | 0 | 0 | 113.5 | L614 Q617 Q673 G679 H733 | L614-F677 HydrophobicContact CD2-CD1 4.3Å; L614-F677 HydrophobicContact CD2-CE1 3.67Å; Q617-F677 PolarHBondContact NE2-O 2.84Å; Q617-F677 VanDerWaalsContact NE2-O 3.15Å; Q673-F677 HydrophobicContact CG-CD2 3.97Å; Q673-F677 HydrophobicContact CG-CE1 4.38Å; Q673-F677 HydrophobicContact CG-CE2 3.47Å; Q673-F677 VanDerWaalsContact CG-CE2 3.47Å; Q673-F677 HydrophobicContact CG-CZ 3.7Å; Q673-F677 WeakPolarHBondContact O-CG 3.47Å; Q673-F677 PolarHBondContact O-N 2.68Å; F677-G679 VanDerWaalsContact C-N 3.28Å; F677-H733 AromaticContact CD1-CD2 3.48Å; F677-H733 VanDerWaalsContact CD1-CD2 3.48Å; F677-H733 WeakPolarHBondContact CD1-CD2 3.49Å; F677-H733 AromaticContact CD1-NE2 3.42Å; F677-H733 WeakPolarHBondContact CD1-NE2 3.33Å; F677-H733 AromaticContact CE1-CD2 3.44Å; F677-H733 VanDerWaalsContact CE1-CD2 3.44Å; F677-H733 WeakPolarHBondContact CE1-CD2 3.47Å; F677-H733 AromaticContact CE1-NE2 3.58Å; F677-H733 WeakPolarHBondContact CE1-O 3.34Å |
| 678 | A | 83.6 | Confident | 85.7 | Confident | 79 Ų | 79 | 37.5 Ų | 37.5 | 65% | 0.653 | 21% | 0.205 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -82.2 | 2.3 | 171.4 | 0 | 0 | 0 | 0 | 0 | 114 | A674 A675 L676 S680 | A674-A678 VanDerWaalsContact O-CB 3.31Å; A674-A678 WeakPolarHBondContact O-CB 3.44Å; A674-A678 PolarHBondContact O-N 3.41Å; A675-A678 PolarHBondContact O-N 2.93Å; L676-A678 PolarHBondContact O-N 3.19Å; A678-S680 VanDerWaalsContact C-N 3.26Å; A678-S680 PolarHBondContact O-N 2.83Å |
| 679 | G | 81.6 | Confident | 85.7 | Confident | 28 Ų | 28 | 41.4 Ų | 41.4 | 29% | 0.289 | 22% | 0.222 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 72.6 | 9.7 | 179.9 | 0 | 0 | 0 | 0 | 0 | 115 | A675 L676 F677 A681 | A675-G679 PolarHBondContact O-N 3.07Å; L676-G679 PolarHBondContact O-N 3.05Å; F677-G679 VanDerWaalsContact C-N 3.28Å; G679-A681 PolarHBondContact O-N 3.31Å; G679-A681 VanDerWaalsContact O-N 3.17Å |
| 680 | S | 85.6 | Confident | 85.5 | Confident | 48 Ų | 48 | 46.4 Ų | 46.4 | 34% | 0.336 | 24% | 0.239 | S | C | . | . | trans | -92.2 | 76.1 | -170.7 | -164.7 | 0 | 0 | 0 | 0 | 112.1 | A675 A678 K682 R683 A684 | A675-S680 PolarHBondContact O-N 3.26Å; A678-S680 VanDerWaalsContact C-N 3.26Å; A678-S680 PolarHBondContact O-N 2.83Å; S680-K682 PolarHBondContact O-N 2.86Å; S680-R683 PolarHBondContact O-N 3.4Å; S680-R683 WeakPolarHBondContact OG-CB 3.48Å; S680-A684 WeakPolarHBondContact O-CB 3.4Å; S680-A684 PolarHBondContact O-N 2.95Å | ||
| 681 | A | 84.9 | Confident | 85.6 | Confident | 7 Ų | 7 | 43.4 Ų | 43.4 | 6% | 0.058 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -50.9 | -48.6 | -177.6 | 0 | 0 | 0 | 0 | 0 | 113.9 | P625 L626 I629 G679 R683 A684 L685 | P625-A681 HydrophobicContact CB-CB 3.84Å; L626-A681 HydrophobicContact CD2-CB 3.95Å; L626-A681 HydrophobicContact CG-CB 4.01Å; I629-A681 HydrophobicContact CD1-CB 4.24Å; G679-A681 PolarHBondContact O-N 3.31Å; G679-A681 VanDerWaalsContact O-N 3.17Å; A681-R683 PolarHBondContact O-N 3.33Å; A681-A684 PolarHBondContact O-N 3.37Å; A681-L685 WeakPolarHBondContact O-CB 3.46Å; A681-L685 PolarHBondContact O-N 3.47Å |
| 682 | K | 84.4 | Confident | 85.7 | Confident | 144 Ų | 144 | 40.4 Ų | 40.4 | 63% | 0.626 | 22% | 0.216 | S | C | * | . | H | α-helix | trans | -60.6 | -44 | 178.5 | -170.6 | -175.2 | 177.9 | -168.7 | 0 | 112.3 | I629 S680 S686 | I629-K682 HydrophobicContact CD1-CB 4.04Å; S680-K682 PolarHBondContact O-N 2.86Å; K682-S686 WeakPolarHBondContact O-CB 3.35Å; K682-S686 PolarHBondContact O-N 2.96Å; K682-S686 PolarHBondContact O-OG 3Å |
| 683 | R | 84 | Confident | 85.5 | Confident | 76 Ų | 76 | 50 Ų | 50 | 29% | 0.287 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -72.3 | -39.1 | -179.9 | -166 | 173.9 | -179.5 | 117.2 | -12.3 | 111.2 | E646 D649 S680 A681 S686 M687 | E646-R683 VanDerWaalsContact CD-NH1 3.32Å; E646-R683 IonicContact OE1-CZ 3.87Å; E646-R683 IonicContact OE1-NH1 2.61Å; E646-R683 PolarHBondContact OE1-NH1 2.88Å; E646-R683 IonicContact OE1-NH2 2.93Å; E646-R683 PolarHBondContact OE1-NH2 3.47Å; E646-R683 IonicContact OE2-CZ 2.98Å; E646-R683 IonicContact OE2-NH1 2.67Å; E646-R683 PolarHBondContact OE2-NH1 2.89Å; D649-R683 IonicContact OD2-NH2 2.65Å; D649-R683 PolarHBondContact OD2-NH2 3.39Å; S680-R683 PolarHBondContact O-N 3.4Å; S680-R683 WeakPolarHBondContact OG-CB 3.48Å; A681-R683 PolarHBondContact O-N 3.33Å; R683-S686 PolarHBondContact O-OG 3.45Å; R683-M687 HydrophobicContact CG-SD 3.89Å; R683-M687 VanDerWaalsContact O-CB 3.32Å; R683-M687 WeakPolarHBondContact O-CB 3.15Å; R683-M687 WeakPolarHBondContact O-CG 3.21Å; R683-M687 PolarHBondContact O-N 3.05Å |
| 684 | A | 87 | Confident | 85.3 | Confident | 0 Ų | 0 | 53.2 Ų | 53.2 | 0% | 0 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -62.9 | -47.7 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | A675 L676 S680 A681 M687 A688 | A675-A684 HydrophobicContact CB-CB 3.94Å; L676-A684 HydrophobicContact CD2-CB 3.47Å; L676-A684 VanDerWaalsContact CD2-CB 3.47Å; L676-A684 HydrophobicContact CG-CB 3.74Å; S680-A684 WeakPolarHBondContact O-CB 3.4Å; S680-A684 PolarHBondContact O-N 2.95Å; A681-A684 PolarHBondContact O-N 3.37Å; A684-M687 PolarHBondContact O-N 2.77Å; A684-A688 VanDerWaalsContact O-CB 3.32Å; A684-A688 WeakPolarHBondContact O-CB 3.06Å; A684-A688 PolarHBondContact O-N 3.06Å |
| 685 | L | 87.4 | Confident | 85.4 | Confident | 7 Ų | 7 | 52.8 Ų | 52.8 | 4% | 0.037 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -66 | -41 | 179.3 | -177.4 | 65.6 | 0 | 0 | 0 | 112.3 | L626 I629 L630 A681 A688 K689 V725 L729 | L626-L685 HydrophobicContact CD2-CB 4.1Å; I629-L685 HydrophobicContact CB-CD2 4.47Å; I629-L685 HydrophobicContact CG2-CD2 3.58Å; L630-L685 HydrophobicContact CD2-CD1 4.39Å; L630-L685 HydrophobicContact CD2-CD2 4.13Å; L630-L685 HydrophobicContact CG-CD2 4.46Å; A681-L685 WeakPolarHBondContact O-CB 3.46Å; A681-L685 PolarHBondContact O-N 3.47Å; L685-A688 PolarHBondContact O-N 2.93Å; L685-K689 HydrophobicContact CD1-CG 4.43Å; L685-K689 WeakPolarHBondContact O-CB 3.03Å; L685-K689 WeakPolarHBondContact O-CG 3.39Å; L685-K689 PolarHBondContact O-N 3.31Å; L685-V725 HydrophobicContact CD1-CG1 3.69Å; L685-L729 HydrophobicContact CD1-CD1 3.84Å |
| 686 | S | 84.5 | Confident | 85.3 | Confident | 56 Ų | 56 | 56.8 Ų | 56.8 | 39% | 0.392 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -67.9 | -38.7 | 178.1 | 71.1 | 0 | 0 | 0 | 0 | 112 | K682 R683 R690 | K682-S686 WeakPolarHBondContact O-CB 3.35Å; K682-S686 PolarHBondContact O-N 2.96Å; K682-S686 PolarHBondContact O-OG 3Å; R683-S686 PolarHBondContact O-OG 3.45Å; S686-R690 WeakPolarHBondContact O-CG 3.47Å; S686-R690 PolarHBondContact O-N 3.25Å |
| 687 | M | 85.1 | Confident | 84.9 | Confident | 11 Ų | 11 | 65.7 Ų | 65.7 | 5% | 0.054 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -68.1 | -39.3 | 173.6 | -67.8 | 176.6 | 80.2 | 0 | 0 | 111.9 | L652 R671 V672 R683 A684 R690 M691 | L652-M687 VanDerWaalsContact CD1-O 3.3Å; L652-M687 WeakPolarHBondContact CD1-O 3.23Å; L652-M687 HydrophobicContact CD2-CE 3.83Å; R671-M687 HydrophobicContact CB-CE 3.61Å; V672-M687 HydrophobicContact CG2-CB 4Å; R683-M687 HydrophobicContact CG-SD 3.89Å; R683-M687 VanDerWaalsContact O-CB 3.32Å; R683-M687 WeakPolarHBondContact O-CB 3.15Å; R683-M687 WeakPolarHBondContact O-CG 3.21Å; R683-M687 PolarHBondContact O-N 3.05Å; A684-M687 PolarHBondContact O-N 2.77Å; M687-R690 PolarHBondContact O-N 2.9Å; M687-M691 WeakPolarHBondContact O-CB 3.45Å; M687-M691 PolarHBondContact O-N 2.72Å |
| 688 | A | 87.3 | Confident | 84.7 | Confident | 0 Ų | 0 | 64 Ų | 64 | 0% | 0 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -65.2 | -46.2 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | V672 A684 L685 R690 M691 W692 L729 | V672-A688 HydrophobicContact CG1-CB 4.12Å; V672-A688 HydrophobicContact CG2-CB 4.48Å; A684-A688 VanDerWaalsContact O-CB 3.32Å; A684-A688 WeakPolarHBondContact O-CB 3.06Å; A684-A688 PolarHBondContact O-N 3.06Å; L685-A688 PolarHBondContact O-N 2.93Å; A688-R690 VanDerWaalsContact C-N 3.27Å; A688-R690 PolarHBondContact O-N 3.17Å; A688-M691 WeakPolarHBondContact O-CB 3.34Å; A688-M691 PolarHBondContact O-N 2.76Å; A688-W692 HydrophobicContact CB-CD2 4.49Å; A688-W692 HydrophobicContact CB-CE3 4.3Å; A688-W692 HydrophobicContact CB-CH2 3.95Å; A688-W692 HydrophobicContact CB-CZ2 4.14Å; A688-W692 HydrophobicContact CB-CZ3 4.02Å; A688-W692 VanDerWaalsContact O-CD2 3.3Å; A688-W692 PolarHBondContact O-N 3.06Å; A688-L729 HydrophobicContact CB-CD2 3.69Å |
| 689 | K | 85.9 | Confident | 84.5 | Confident | 82 Ų | 82 | 61.8 Ų | 61.8 | 36% | 0.357 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -59.2 | -35.6 | 173.6 | -74.8 | -173.9 | 177 | -174.2 | 0 | 112.3 | L685 R693 | L685-K689 HydrophobicContact CD1-CG 4.43Å; L685-K689 WeakPolarHBondContact O-CB 3.03Å; L685-K689 WeakPolarHBondContact O-CG 3.39Å; L685-K689 PolarHBondContact O-N 3.31Å; K689-R693 WeakPolarHBondContact O-CG 3.41Å; K689-R693 PolarHBondContact O-N 3.04Å |
| 690 | R | 83.7 | Confident | 84.2 | Confident | 132 Ų | 132 | 62.3 Ų | 62.3 | 50% | 0.498 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -70.7 | -38.9 | 171.6 | -72.4 | -179.8 | -175.4 | -167.3 | 3.8 | 112.6 | L652 S686 M687 A688 R693 L694 | L652-R690 HydrophobicContact CD1-CB 3.88Å; S686-R690 WeakPolarHBondContact O-CG 3.47Å; S686-R690 PolarHBondContact O-N 3.25Å; M687-R690 PolarHBondContact O-N 2.9Å; A688-R690 VanDerWaalsContact C-N 3.27Å; A688-R690 PolarHBondContact O-N 3.17Å; R690-R693 PolarHBondContact O-N 2.78Å; R690-L694 WeakPolarHBondContact O-CG 3.4Å; R690-L694 PolarHBondContact O-N 2.73Å |
| 691 | M | 87.8 | Confident | 83.4 | Confident | 0 Ų | 0 | 64.7 Ų | 64.7 | 0% | 0 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -62.4 | -46.8 | 176.9 | -171.4 | 178.6 | 73.4 | 0 | 0 | 111.7 | L652 A668 I669 V672 M687 A688 R693 L694 W695 I732 | L652-M691 HydrophobicContact CD1-CB 4.03Å; A668-M691 HydrophobicContact CB-CG 4.1Å; A668-M691 HydrophobicContact CB-SD 4.02Å; I669-M691 HydrophobicContact CB-SD 4.29Å; I669-M691 HydrophobicContact CG1-CE 4.1Å; I669-M691 HydrophobicContact CG1-SD 3.58Å; I669-M691 VanDerWaalsContact CG1-SD 3.58Å; V672-M691 HydrophobicContact CG2-SD 4.08Å; M687-M691 WeakPolarHBondContact O-CB 3.45Å; M687-M691 PolarHBondContact O-N 2.72Å; A688-M691 WeakPolarHBondContact O-CB 3.34Å; A688-M691 PolarHBondContact O-N 2.76Å; M691-R693 VanDerWaalsContact C-N 3.31Å; M691-R693 PolarHBondContact O-N 2.83Å; M691-L694 PolarHBondContact O-N 3.3Å; M691-L694 VanDerWaalsContact O-N 3.07Å; M691-W695 HydrophobicContact CG-CE3 4.04Å; M691-W695 HydrophobicContact CG-CZ3 4.42Å; M691-W695 PolarHBondContact O-N 2.82Å; M691-I732 HydrophobicContact CE-CD1 3.99Å |
| 692 | W | 87.9 | Confident | 82.1 | Confident | 24 Ų | 24 | 69.2 Ų | 69.2 | 9% | 0.091 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -68.9 | -26.2 | 179 | -60.7 | -38.7 | 0 | 0 | 0 | 113.7 | A688 L694 W695 V698 A699 P700 V725 A728 L729 | A688-W692 HydrophobicContact CB-CD2 4.49Å; A688-W692 HydrophobicContact CB-CE3 4.3Å; A688-W692 HydrophobicContact CB-CH2 3.95Å; A688-W692 HydrophobicContact CB-CZ2 4.14Å; A688-W692 HydrophobicContact CB-CZ3 4.02Å; A688-W692 VanDerWaalsContact O-CD2 3.3Å; A688-W692 PolarHBondContact O-N 3.06Å; W692-L694 VanDerWaalsContact C-N 3.33Å; W692-W695 CarbonylContact O-C 3.59Å; W692-V698 PolarHBondContact NE1-O 2.97Å; W692-A699 HydrophobicContact CB-CB 4.11Å; W692-A699 HydrophobicContact CG-CB 4.33Å; W692-P700 HydrophobicContact CE3-CG 4.44Å; W692-P700 HydrophobicContact CH2-CG 4.3Å; W692-P700 HydrophobicContact CZ2-CG 4.38Å; W692-P700 HydrophobicContact CZ3-CG 4.33Å; W692-V725 HydrophobicContact CH2-CB 4.4Å; W692-V725 HydrophobicContact CH2-CG1 4.05Å; W692-V725 HydrophobicContact CH2-CG2 4.33Å; W692-V725 HydrophobicContact CZ3-CB 4.33Å; W692-V725 HydrophobicContact CZ3-CG1 3.93Å; W692-V725 HydrophobicContact CZ3-CG2 3.89Å; W692-A728 HydrophobicContact CH2-CB 4.31Å; W692-A728 HydrophobicContact CZ2-CB 3.79Å; W692-L729 HydrophobicContact CH2-CG 4.26Å |
| 693 | R | 83.3 | Confident | 80.4 | Confident | 201 Ų | 201 | 68.4 Ų | 68.4 | 76% | 0.758 | 35% | 0.348 | S | S | * | . | H | α-helix | trans | -71.1 | -25.4 | 169.2 | -76 | 175.6 | 178.6 | -174.7 | -0.6 | 113.2 | K689 R690 M691 | K689-R693 WeakPolarHBondContact O-CG 3.41Å; K689-R693 PolarHBondContact O-N 3.04Å; R690-R693 PolarHBondContact O-N 2.78Å; M691-R693 VanDerWaalsContact C-N 3.31Å; M691-R693 PolarHBondContact O-N 2.83Å |
| 694 | L | 84.5 | Confident | 78.6 | Confident | 85 Ų | 85 | 73.1 Ų | 73.1 | 45% | 0.445 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -90.9 | -34 | 178 | -70.8 | 166.7 | 0 | 0 | 0 | 112.6 | L652 F653 R690 M691 W692 | L652-L694 HydrophobicContact CB-CD1 4.05Å; F653-L694 HydrophobicContact CB-CD1 4.11Å; R690-L694 WeakPolarHBondContact O-CG 3.4Å; R690-L694 PolarHBondContact O-N 2.73Å; M691-L694 PolarHBondContact O-N 3.3Å; M691-L694 VanDerWaalsContact O-N 3.07Å; W692-L694 VanDerWaalsContact C-N 3.33Å |
| 695 | W | 87.8 | Confident | 76.8 | Confident | 31 Ų | 31 | 82.7 Ų | 82.7 | 12% | 0.117 | 42% | 0.418 | C | S | . | . | trans | -127.8 | 84.9 | 177.6 | -67.1 | -81.7 | 0 | 0 | 0 | 110.6 | F653 Q664 L665 A668 M691 W692 E697 V698 | F653-W695 HydrophobicContact CB-CH2 4.03Å; F653-W695 AromaticContact CD2-CH2 3.95Å; F653-W695 HydrophobicContact CD2-CH2 3.95Å; F653-W695 AromaticContact CD2-CZ2 3.71Å; F653-W695 HydrophobicContact CD2-CZ2 3.71Å; F653-W695 HydrophobicContact CE2-CZ2 4.42Å; F653-W695 HydrophobicContact CG-CH2 4.48Å; Q664-W695 HydrophobicContact CB-CH2 4.28Å; Q664-W695 HydrophobicContact CB-CZ2 4.02Å; L665-W695 HydrophobicContact CB-CD2 4.28Å; L665-W695 HydrophobicContact CB-CZ2 4.2Å; L665-W695 HydrophobicContact CD1-CB 4.26Å; L665-W695 HydrophobicContact CD1-CD2 3.9Å; L665-W695 HydrophobicContact CD1-CE3 4.06Å; L665-W695 HydrophobicContact CD1-CG 4Å; A668-W695 HydrophobicContact CB-CH2 4.36Å; A668-W695 HydrophobicContact CB-CZ3 3.92Å; M691-W695 HydrophobicContact CG-CE3 4.04Å; M691-W695 HydrophobicContact CG-CZ3 4.42Å; M691-W695 PolarHBondContact O-N 2.82Å; W692-W695 CarbonylContact O-C 3.59Å; W695-E697 PolarHBondContact O-N 2.84Å; W695-V698 HydrophobicContact CB-CB 4.47Å; W695-V698 HydrophobicContact CB-CG2 4.04Å; W695-V698 PolarHBondContact O-N 2.61Å; W695-V698 VanDerWaalsContact O-N 3.09Å | ||
| 696 | P | 81.5 | Confident | 74.8 | Confident | 94 Ų | 94 | 89.9 Ų | 89.9 | 61% | 0.61 | 46% | 0.457 | S | S | * | . | G | 310 helix | trans | -60.2 | -29.1 | -179.4 | -25.7 | 35.9 | 0 | 0 | 0 | 113.9 | V698 A699 | P696-V698 PolarHBondContact O-N 2.99Å; P696-V698 VanDerWaalsContact O-N 3.13Å; P696-A699 WeakPolarHBondContact O-CB 3.46Å; P696-A699 PolarHBondContact O-N 3.29Å |
| 697 | E | 80.1 | Confident | 73.2 | Confident | 187 Ų | 187 | 93.3 Ų | 93.3 | 87% | 0.874 | 47% | 0.471 | S | S | * | . | G | 310 helix | trans | -61.3 | -18.5 | 176.1 | -59 | -179.1 | 172 | 0 | 0 | 113.8 | W695 | W695-E697 PolarHBondContact O-N 2.84Š|
| 698 | V | 80.8 | Confident | 71.6 | Confident | 52 Ų | 52 | 98.9 Ų | 98.9 | 32% | 0.315 | 51% | 0.511 | S | S | . | . | G | 310 helix | trans | -109.2 | 5.3 | -178.9 | -160.9 | 0 | 0 | 0 | 0 | 110.9 | L665 W692 W695 P696 | L665-V698 HydrophobicContact CD1-CG2 4.02Å; L665-V698 HydrophobicContact CD2-CG2 3.79Å; W692-V698 PolarHBondContact NE1-O 2.97Å; W695-V698 HydrophobicContact CB-CB 4.47Å; W695-V698 HydrophobicContact CB-CG2 4.04Å; W695-V698 PolarHBondContact O-N 2.61Å; W695-V698 VanDerWaalsContact O-N 3.09Å; P696-V698 PolarHBondContact O-N 2.99Å; P696-V698 VanDerWaalsContact O-N 3.13Å |
| 699 | A | 79.3 | Confident | 70 | Confident | 33 Ų | 33 | 101.6 Ų | 101.6 | 27% | 0.273 | 53% | 0.533 | S | S | . | . | S | Bend | trans | -67.2 | 151.5 | 172.7 | 0 | 0 | 0 | 0 | 0 | 111 | W692 P696 V701 | W692-A699 HydrophobicContact CB-CB 4.11Å; W692-A699 HydrophobicContact CG-CB 4.33Å; P696-A699 WeakPolarHBondContact O-CB 3.46Å; P696-A699 PolarHBondContact O-N 3.29Å; A699-V701 PolarHBondContact O-N 2.92Å |
| 700 | P | 75.4 | Confident | 68.6 | Low | 38 Ų | 38 | 100 Ų | 100 | 25% | 0.247 | 53% | 0.528 | C | S | . | . | trans | -67.4 | 98.2 | 178.1 | 26.7 | -34.3 | 0 | 0 | 0 | 111.3 | W692 N724 V725 A728 | W692-P700 HydrophobicContact CE3-CG 4.44Å; W692-P700 HydrophobicContact CH2-CG 4.3Å; W692-P700 HydrophobicContact CZ2-CG 4.38Å; W692-P700 HydrophobicContact CZ3-CG 4.33Å; P700-N724 HydrophobicContact CB-CB 3.93Å; P700-N724 WeakPolarHBondContact CB-O 3.3Å; P700-V725 HydrophobicContact CG-CG2 3.82Å; P700-A728 HydrophobicContact CB-CB 3.96Å | ||
| 701 | V | 69 | Low | 67.2 | Low | 99 Ų | 99 | 98.5 Ų | 98.5 | 60% | 0.6 | 53% | 0.53 | S | S | * | . | trans | -71.4 | 143.4 | 173.8 | -176.6 | 0 | 0 | 0 | 0 | 109.9 | A699 I703 | A699-V701 PolarHBondContact O-N 2.92Å; V701-I703 HydrophobicContact CB-CD1 4.41Å; V701-I703 HydrophobicContact CB-CG1 4.28Å; V701-I703 HydrophobicContact CG1-CG1 4.23Å; V701-I703 PolarHBondContact O-N 3.06Å; V701-I703 VanDerWaalsContact O-N 3.16Å | ||
| 702 | S | 57.6 | Low | 65.6 | Low | 101 Ų | 101 | 102.4 Ų | 102.4 | 71% | 0.706 | 56% | 0.562 | S | S | * | * | trans | -65.4 | 108.7 | 168.8 | -54 | 0 | 0 | 0 | 0 | 110 | N724 | S702-N724 PolarHBondContact OG-ND2 3.37Š| ||
| 703 | I | 48.6 | Very low | 64.2 | Low | 127 Ų | 127 | 104.5 Ų | 104.5 | 65% | 0.651 | 59% | 0.591 | S | S | * | * | trans | -121.8 | 152.2 | 179.3 | -64.3 | 175.3 | 0 | 0 | 0 | 108.6 | V701 | V701-I703 HydrophobicContact CB-CD1 4.41Å; V701-I703 HydrophobicContact CB-CG1 4.28Å; V701-I703 HydrophobicContact CG1-CG1 4.23Å; V701-I703 PolarHBondContact O-N 3.06Å; V701-I703 VanDerWaalsContact O-N 3.16Å | ||
| 704 | E | 47.1 | Very low | 63 | Low | 175 Ų | 175 | 102.3 Ų | 102.3 | 82% | 0.818 | 58% | 0.583 | S | S | * | * | trans | -65.8 | 167.8 | -161.7 | -62.8 | 165.9 | 164.8 | 0 | 0 | 114.9 | D706 | E704-D706 VanDerWaalsContact C-N 3.27Å; E704-D706 PolarHBondContact O-N 3.24Å | ||
| 705 | E | 48.5 | Very low | 61.9 | Low | 201 Ų | 201 | 98.7 Ų | 98.7 | 94% | 0.939 | 57% | 0.565 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -70.5 | -0.7 | -148.4 | -56.9 | -176 | 124.5 | 0 | 0 | 117.3 | N707 | E705-N707 PolarHBondContact O-N 2.93Š|
| 706 | D | 45.7 | Very low | 60.6 | Low | 159 Ų | 159 | 101.1 Ų | 101.1 | 85% | 0.85 | 59% | 0.592 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -91.5 | 9.4 | -167.1 | -85 | -36.2 | 0 | 0 | 0 | 116.5 | E704 S708 | E704-D706 VanDerWaalsContact C-N 3.27Å; E704-D706 PolarHBondContact O-N 3.24Å; D706-S708 PolarHBondContact O-N 3.05Å |
| 707 | N | 50 | Low | 59.9 | Low | 128 Ų | 128 | 99.9 Ų | 99.9 | 68% | 0.684 | 60% | 0.596 | S | S | * | * | trans | -80.1 | 84.3 | 178.8 | -91.7 | -59.1 | 0 | 0 | 0 | 113.3 | E705 A709 | E705-N707 PolarHBondContact O-N 2.93Å; N707-A709 PolarHBondContact O-N 2.89Å | ||
| 708 | S | 51.8 | Low | 59.4 | Low | 128 Ų | 128 | 91.9 Ų | 91.9 | 90% | 0.895 | 56% | 0.559 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -67.9 | 30.3 | 179 | 60.8 | 0 | 0 | 0 | 0 | 116.6 | D706 | D706-S708 PolarHBondContact O-N 3.05Š|
| 709 | A | 53 | Low | 59.1 | Low | 56 Ų | 56 | 98.1 Ų | 98.1 | 46% | 0.463 | 58% | 0.577 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -97.5 | -11.4 | -172 | 0 | 0 | 0 | 0 | 0 | 115.2 | N707 Q730 | N707-A709 PolarHBondContact O-N 2.89Å; A709-Q730 PolarHBondContact O-NE2 3.17Å; A709-Q730 PolarHBondContact O-OE1 2.83Å |
| 710 | I | 56.9 | Low | 58.8 | Low | 48 Ų | 48 | 100.7 Ų | 100.7 | 25% | 0.246 | 59% | 0.591 | C | S | . | * | S | Bend | trans | -120.8 | 126.3 | 178.2 | -60 | 170.4 | 0 | 0 | 0 | 108.4 | A712 A715 L726 | I710-A712 PolarHBondContact O-N 2.91Å; I710-A712 VanDerWaalsContact O-N 3.15Å; I710-A715 HydrophobicContact CG2-CB 3.82Å; I710-L726 HydrophobicContact CD1-CD2 3.75Å; I710-L726 HydrophobicContact CG1-CD2 4.11Å |
| 711 | D | 55.6 | Low | 58.7 | Low | 101 Ų | 101 | 104.4 Ų | 104.4 | 54% | 0.54 | 61% | 0.605 | S | S | . | * | trans | -71.9 | 105.4 | 179.9 | -174.9 | 7.8 | 0 | 0 | 0 | 110 | G713 R714 | D711-G713 PolarHBondContact O-N 3.33Å; D711-R714 PolarHBondContact O-N 2.79Å; D711-R714 IonicContact OD2-NE 3.4Å | ||
| 712 | A | 53.7 | Low | 59.3 | Low | 83 Ų | 83 | 101 Ų | 101 | 69% | 0.686 | 59% | 0.585 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -58.5 | -22.6 | -166.2 | 0 | 0 | 0 | 0 | 0 | 114.2 | I710 R714 | I710-A712 PolarHBondContact O-N 2.91Å; I710-A712 VanDerWaalsContact O-N 3.15Å; A712-R714 VanDerWaalsContact C-N 3.32Å; A712-R714 PolarHBondContact O-N 2.54Å |
| 713 | G | 58.7 | Low | 60.3 | Low | 67 Ų | 67 | 98.9 Ų | 98.9 | 69% | 0.691 | 57% | 0.565 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -70.6 | -19.9 | 174.7 | 0 | 0 | 0 | 0 | 0 | 115 | D711 | D711-G713 PolarHBondContact O-N 3.33Š|
| 714 | R | 58.2 | Low | 61.8 | Low | 156 Ų | 156 | 94.9 Ų | 94.9 | 59% | 0.589 | 55% | 0.546 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -99.6 | -28 | -176.1 | -61.6 | -174.9 | -175.4 | -145.1 | -3.6 | 114.3 | E623 D711 A712 A716 | E623-R714 WeakPolarHBondContact OE1-CD 3.15Å; D711-R714 PolarHBondContact O-N 2.79Å; D711-R714 IonicContact OD2-NE 3.4Å; A712-R714 VanDerWaalsContact C-N 3.32Å; A712-R714 PolarHBondContact O-N 2.54Å; R714-A716 VanDerWaalsContact C-N 3.33Å |
| 715 | A | 59.7 | Low | 63.6 | Low | 9 Ų | 9 | 87.5 Ų | 87.5 | 7% | 0.074 | 51% | 0.512 | C | S | . | . | S | Bend | trans | -89.4 | 3.8 | 179.8 | 0 | 0 | 0 | 0 | 0 | 113.7 | I710 G717 L718 L723 | I710-A715 HydrophobicContact CG2-CB 3.82Å; A715-G717 PolarHBondContact O-N 3.39Å; A715-L718 HydrophobicContact CB-CD1 4.32Å; A715-L718 PolarHBondContact O-N 3.41Å; A715-L723 HydrophobicContact CB-CD2 3.68Å |
| 716 | A | 60.3 | Low | 65.3 | Low | 81 Ų | 81 | 78 Ų | 78 | 67% | 0.669 | 47% | 0.468 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.2 | 117.4 | -176.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | R714 | R714-A716 VanDerWaalsContact C-N 3.33Š|
| 717 | G | 67.1 | Low | 67.1 | Low | 68 Ų | 68 | 71.5 Ų | 71.5 | 70% | 0.701 | 44% | 0.439 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 113.1 | -13.4 | -178.1 | 0 | 0 | 0 | 0 | 0 | 114.7 | A715 | A715-G717 PolarHBondContact O-N 3.39Š|
| 718 | L | 70.9 | Confident | 68.8 | Low | 20 Ų | 20 | 66.2 Ų | 66.2 | 11% | 0.105 | 41% | 0.412 | C | S | . | . | trans | -73.2 | 144.8 | 169.3 | -72.1 | 171.5 | 0 | 0 | 0 | 111.4 | I627 L630 L631 A715 C722 L723 L726 | I627-L718 HydrophobicContact CG1-CD1 4.07Å; I627-L718 HydrophobicContact CG2-CD1 4.26Å; L630-L718 HydrophobicContact CB-CD2 3.65Å; L631-L718 HydrophobicContact CD2-CD2 3.74Å; L631-L718 HydrophobicContact CD2-CG 4.15Å; L631-L718 HydrophobicContact CG-CD2 3.8Å; L631-L718 HydrophobicContact CG-CG 4.41Å; A715-L718 HydrophobicContact CB-CD1 4.32Å; A715-L718 PolarHBondContact O-N 3.41Å; L718-C722 HydrophobicContact CB-CB 4.23Å; L718-C722 HydrophobicContact CD2-CB 3.94Å; L718-L723 HydrophobicContact CB-CD2 3.94Å; L718-L723 HydrophobicContact CB-CG 4.26Å; L718-L723 HydrophobicContact CD1-CD2 4.09Å; L718-L726 HydrophobicContact CD1-CD1 4.5Å | ||
| 719 | R | 74.5 | Confident | 70.5 | Confident | 182 Ų | 182 | 60.1 Ų | 60.1 | 69% | 0.687 | 37% | 0.37 | S | S | * | . | trans | -73.7 | 156 | 170.8 | -55.2 | -174.8 | -177.3 | 170.3 | 2.5 | 110.9 | E721 C722 L723 | R719-E721 VanDerWaalsContact C-N 3.25Å; R719-E721 WeakPolarHBondContact CB-OE2 3.23Å; R719-E721 PolarHBondContact O-N 3.12Å; R719-E721 VanDerWaalsContact O-N 3.17Å; R719-C722 WeakPolarHBondContact O-CA 3.35Å; R719-C722 WeakPolarHBondContact O-CB 3.34Å; R719-C722 PolarHBondContact O-N 3.01Å; R719-L723 PolarHBondContact O-N 3.36Å; R719-L723 VanDerWaalsContact O-N 3.16Å | ||
| 720 | P | 72 | Confident | 72.1 | Confident | 87 Ų | 87 | 58.5 Ų | 58.5 | 57% | 0.565 | 35% | 0.353 | S | S | * | . | H | α-helix | trans | -53.2 | -38.2 | -179.1 | -27.7 | 36.4 | 0 | 0 | 0 | 114.3 | C722 L723 N724 | P720-C722 VanDerWaalsContact C-N 3.26Å; P720-C722 PolarHBondContact O-N 3.15Å; P720-L723 WeakPolarHBondContact O-CB 3.46Å; P720-L723 PolarHBondContact O-N 3.18Å; P720-N724 VanDerWaalsContact O-CG 3.23Å; P720-N724 PolarHBondContact O-N 2.85Å; P720-N724 PolarHBondContact O-OD1 3.24Å |
| 721 | E | 73.5 | Confident | 73.5 | Confident | 117 Ų | 117 | 62.7 Ų | 62.7 | 55% | 0.547 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -64.7 | -32.8 | 178.7 | -47.2 | 83.6 | 173.1 | 0 | 0 | 111.8 | R719 V725 | R719-E721 VanDerWaalsContact C-N 3.25Å; R719-E721 WeakPolarHBondContact CB-OE2 3.23Å; R719-E721 PolarHBondContact O-N 3.12Å; R719-E721 VanDerWaalsContact O-N 3.17Å; E721-V725 VanDerWaalsContact O-CG2 3.32Å; E721-V725 WeakPolarHBondContact O-CG2 3.33Å; E721-V725 PolarHBondContact O-N 3.22Å; E721-V725 VanDerWaalsContact O-N 3.16Å |
| 722 | C | 81.5 | Confident | 74.9 | Confident | 26 Ų | 26 | 58.8 Ų | 58.8 | 18% | 0.176 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -75.8 | -32.8 | 177 | -62.5 | 0 | 0 | 0 | 0 | 112.2 | L630 L718 R719 P720 V725 L726 | L630-C722 HydrophobicContact CB-CB 4.35Å; L630-C722 HydrophobicContact CD1-CB 4.37Å; L630-C722 HydrophobicContact CD2-CB 4.42Å; L718-C722 HydrophobicContact CB-CB 4.23Å; L718-C722 HydrophobicContact CD2-CB 3.94Å; R719-C722 WeakPolarHBondContact O-CA 3.35Å; R719-C722 WeakPolarHBondContact O-CB 3.34Å; R719-C722 PolarHBondContact O-N 3.01Å; P720-C722 VanDerWaalsContact C-N 3.26Å; P720-C722 PolarHBondContact O-N 3.15Å; C722-V725 PolarHBondContact O-N 3.44Å; C722-L726 WeakPolarHBondContact O-CB 3.4Å; C722-L726 PolarHBondContact O-N 2.98Å |
| 723 | L | 78.9 | Confident | 76.5 | Confident | 57 Ų | 57 | 54.8 Ų | 54.8 | 30% | 0.298 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -63.9 | -45.9 | 172.1 | -63.9 | 175.8 | 0 | 0 | 0 | 110.8 | A715 L718 R719 P720 V725 L726 G727 | A715-L723 HydrophobicContact CB-CD2 3.68Å; L718-L723 HydrophobicContact CB-CD2 3.94Å; L718-L723 HydrophobicContact CB-CG 4.26Å; L718-L723 HydrophobicContact CD1-CD2 4.09Å; R719-L723 PolarHBondContact O-N 3.36Å; R719-L723 VanDerWaalsContact O-N 3.16Å; P720-L723 WeakPolarHBondContact O-CB 3.46Å; P720-L723 PolarHBondContact O-N 3.18Å; L723-V725 VanDerWaalsContact C-N 3.33Å; L723-V725 PolarHBondContact O-N 3.29Å; L723-L726 PolarHBondContact O-N 3.06Å; L723-L726 VanDerWaalsContact O-N 3.11Å; L723-G727 PolarHBondContact O-N 3.47Å |
| 724 | N | 79.9 | Confident | 77.7 | Confident | 44 Ų | 44 | 54.2 Ų | 54.2 | 24% | 0.235 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -62 | -40.5 | 178.5 | -57.5 | -11.6 | 0 | 0 | 0 | 111.4 | P700 S702 P720 A728 | P700-N724 HydrophobicContact CB-CB 3.93Å; P700-N724 WeakPolarHBondContact CB-O 3.3Å; S702-N724 PolarHBondContact OG-ND2 3.37Å; P720-N724 VanDerWaalsContact O-CG 3.23Å; P720-N724 PolarHBondContact O-N 2.85Å; P720-N724 PolarHBondContact O-OD1 3.24Å; N724-A728 WeakPolarHBondContact O-CB 3.47Å; N724-A728 PolarHBondContact O-N 3.48Å |
| 725 | V | 85 | Confident | 78.7 | Confident | 20 Ų | 20 | 49.9 Ų | 49.9 | 12% | 0.121 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -60.2 | -42.7 | 172.5 | 162.4 | 0 | 0 | 0 | 0 | 112.3 | L630 L685 W692 P700 E721 C722 L723 L729 | L630-V725 HydrophobicContact CD1-CG1 4.34Å; L630-V725 HydrophobicContact CD2-CG1 4.13Å; L685-V725 HydrophobicContact CD1-CG1 3.69Å; W692-V725 HydrophobicContact CH2-CB 4.4Å; W692-V725 HydrophobicContact CH2-CG1 4.05Å; W692-V725 HydrophobicContact CH2-CG2 4.33Å; W692-V725 HydrophobicContact CZ3-CB 4.33Å; W692-V725 HydrophobicContact CZ3-CG1 3.93Å; W692-V725 HydrophobicContact CZ3-CG2 3.89Å; P700-V725 HydrophobicContact CG-CG2 3.82Å; E721-V725 VanDerWaalsContact O-CG2 3.32Å; E721-V725 WeakPolarHBondContact O-CG2 3.33Å; E721-V725 PolarHBondContact O-N 3.22Å; E721-V725 VanDerWaalsContact O-N 3.16Å; C722-V725 PolarHBondContact O-N 3.44Å; L723-V725 VanDerWaalsContact C-N 3.33Å; L723-V725 PolarHBondContact O-N 3.29Å; V725-L729 HydrophobicContact CG1-CD1 4.41Å; V725-L729 WeakPolarHBondContact O-CG 3.23Å; V725-L729 PolarHBondContact O-N 3.19Å; V725-L729 VanDerWaalsContact O-N 3.16Å |
| 726 | L | 84.4 | Confident | 79 | Confident | 2 Ų | 2 | 55.6 Ų | 55.6 | 1% | 0.01 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -70.7 | -41.2 | -178.7 | -166 | 143.3 | 0 | 0 | 0 | 111.6 | W618 L626 I627 L630 I710 L718 C722 L723 L729 Q730 | W618-L726 HydrophobicContact CZ2-CD2 3.83Å; W618-L726 HydrophobicContact CZ2-CG 4.08Å; L626-L726 HydrophobicContact CB-CD1 4.21Å; I627-L726 HydrophobicContact CG1-CD1 3.63Å; L630-L726 HydrophobicContact CD1-CB 4.29Å; L630-L726 HydrophobicContact CD1-CD1 4.2Å; I710-L726 HydrophobicContact CD1-CD2 3.75Å; I710-L726 HydrophobicContact CG1-CD2 4.11Å; L718-L726 HydrophobicContact CD1-CD1 4.5Å; C722-L726 WeakPolarHBondContact O-CB 3.4Å; C722-L726 PolarHBondContact O-N 2.98Å; L723-L726 PolarHBondContact O-N 3.06Å; L723-L726 VanDerWaalsContact O-N 3.11Å; L726-L729 PolarHBondContact O-N 3.33Å; L726-Q730 PolarHBondContact O-N 2.9Å |
| 727 | G | 82.8 | Confident | 79.2 | Confident | 22 Ų | 22 | 53.9 Ų | 53.9 | 23% | 0.227 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -62.6 | -42.9 | 173.6 | 0 | 0 | 0 | 0 | 0 | 113.2 | L723 L729 Q730 Q731 | L723-G727 PolarHBondContact O-N 3.47Å; G727-L729 PolarHBondContact O-N 3.38Å; G727-Q730 WeakPolarHBondContact O-CB 3.4Å; G727-Q730 PolarHBondContact O-N 3.29Å; G727-Q730 VanDerWaalsContact O-N 3.17Å; G727-Q731 PolarHBondContact O-N 2.88Å |
| 728 | A | 85.3 | Confident | 78.2 | Confident | 16 Ų | 16 | 53 Ų | 53 | 13% | 0.132 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -64.8 | -37.3 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.8 | W692 P700 N724 Q731 I732 | W692-A728 HydrophobicContact CH2-CB 4.31Å; W692-A728 HydrophobicContact CZ2-CB 3.79Å; P700-A728 HydrophobicContact CB-CB 3.96Å; N724-A728 WeakPolarHBondContact O-CB 3.47Å; N724-A728 PolarHBondContact O-N 3.48Å; A728-Q731 PolarHBondContact O-N 3.24Å; A728-I732 VanDerWaalsContact O-CG1 3.3Å; A728-I732 WeakPolarHBondContact O-CG1 3.39Å; A728-I732 PolarHBondContact O-N 2.89Å |
| 729 | L | 88.5 | Confident | 76.7 | Confident | 0 Ų | 0 | 58.2 Ų | 58.2 | 0% | 0 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -66.1 | -38 | 171.8 | -74.8 | 172.4 | 0 | 0 | 0 | 112.2 | W618 L626 V672 L676 L685 A688 W692 V725 L726 G727 I732 H733 | W618-L729 HydrophobicContact CH2-CB 3.73Å; W618-L729 HydrophobicContact CZ3-CB 4.3Å; L626-L729 HydrophobicContact CD1-CD1 4.09Å; L626-L729 HydrophobicContact CD2-CD1 3.94Å; V672-L729 HydrophobicContact CG1-CD2 4.04Å; L676-L729 HydrophobicContact CD1-CD2 4.28Å; L676-L729 HydrophobicContact CD2-CD2 4.48Å; L685-L729 HydrophobicContact CD1-CD1 3.84Å; A688-L729 HydrophobicContact CB-CD2 3.69Å; W692-L729 HydrophobicContact CH2-CG 4.26Å; V725-L729 HydrophobicContact CG1-CD1 4.41Å; V725-L729 WeakPolarHBondContact O-CG 3.23Å; V725-L729 PolarHBondContact O-N 3.19Å; V725-L729 VanDerWaalsContact O-N 3.16Å; L726-L729 PolarHBondContact O-N 3.33Å; G727-L729 PolarHBondContact O-N 3.38Å; L729-I732 PolarHBondContact O-N 3.18Å; L729-H733 PolarHBondContact O-N 2.87Å |
| 730 | Q | 86.7 | Confident | 75.1 | Confident | 23 Ų | 23 | 56.3 Ų | 56.3 | 11% | 0.107 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -63.1 | -42.2 | 175.2 | -166.9 | -173.5 | 40.1 | 0 | 0 | 111.3 | W618 A709 L726 G727 H733 M734 | W618-Q730 HydrophobicContact CD2-CB 4.27Å; W618-Q730 HydrophobicContact CD2-CG 3.95Å; W618-Q730 HydrophobicContact CE3-CB 4.43Å; W618-Q730 HydrophobicContact CE3-CG 4.42Å; W618-Q730 HydrophobicContact CG-CG 4.33Å; W618-Q730 HydrophobicContact CH2-CB 3.86Å; W618-Q730 VanDerWaalsContact CH2-N 3.28Å; W618-Q730 HydrophobicContact CZ2-CB 3.63Å; W618-Q730 HydrophobicContact CZ2-CG 4.1Å; W618-Q730 HydrophobicContact CZ3-CB 4.24Å; A709-Q730 PolarHBondContact O-NE2 3.17Å; A709-Q730 PolarHBondContact O-OE1 2.83Å; L726-Q730 PolarHBondContact O-N 2.9Å; G727-Q730 WeakPolarHBondContact O-CB 3.4Å; G727-Q730 PolarHBondContact O-N 3.29Å; G727-Q730 VanDerWaalsContact O-N 3.17Å; Q730-H733 WeakPolarHBondContact O-CB 3.49Å; Q730-H733 PolarHBondContact O-N 3.02Å; Q730-M734 HydrophobicContact CG-CE 3.84Å; Q730-M734 WeakPolarHBondContact O-CG 3.35Å; Q730-M734 PolarHBondContact O-N 3.11Å; Q730-M734 VanDerWaalsContact O-N 3.11Å |
| 731 | Q | 85.2 | Confident | 73.3 | Confident | 135 Ų | 135 | 60.7 Ų | 60.7 | 63% | 0.631 | 31% | 0.313 | S | S | * | . | H | α-helix | trans | -62.9 | -46.7 | 175.8 | -164.9 | 179.6 | 24.3 | 0 | 0 | 111.5 | G727 A728 H733 M734 T735 | G727-Q731 PolarHBondContact O-N 2.88Å; A728-Q731 PolarHBondContact O-N 3.24Å; Q731-H733 VanDerWaalsContact C-N 3.27Å; Q731-H733 PolarHBondContact O-N 3.34Å; Q731-M734 PolarHBondContact O-N 3.49Å; Q731-M734 VanDerWaalsContact O-N 3.16Å; Q731-T735 HydrophobicContact CG-CG2 4.38Å; Q731-T735 WeakPolarHBondContact O-CG2 3.37Å; Q731-T735 PolarHBondContact O-N 3.03Å; Q731-T735 PolarHBondContact O-OG1 3.08Å; Q731-T735 VanDerWaalsContact O-OG1 3.12Å |
| 732 | I | 86.3 | Confident | 71.4 | Confident | 19 Ų | 19 | 63 Ų | 63 | 10% | 0.097 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -60 | -37.1 | 175.1 | -67.9 | 165.9 | 0 | 0 | 0 | 111.4 | I669 V672 Q673 L676 M691 A728 L729 T735 | I669-I732 HydrophobicContact CG2-CG1 4.15Å; I669-I732 HydrophobicContact CG2-CG2 3.86Å; V672-I732 HydrophobicContact CB-CG2 4.47Å; V672-I732 HydrophobicContact CG1-CD1 4.43Å; V672-I732 HydrophobicContact CG1-CG2 4.12Å; Q673-I732 HydrophobicContact CB-CG2 3.96Å; Q673-I732 WeakPolarHBondContact CG-O 3.41Å; Q673-I732 PolarHBondContact NE2-O 3.23Å; L676-I732 HydrophobicContact CD1-CB 4.4Å; L676-I732 HydrophobicContact CD1-CG2 4.05Å; M691-I732 HydrophobicContact CE-CD1 3.99Å; A728-I732 VanDerWaalsContact O-CG1 3.3Å; A728-I732 WeakPolarHBondContact O-CG1 3.39Å; A728-I732 PolarHBondContact O-N 2.89Å; L729-I732 PolarHBondContact O-N 3.18Å; I732-T735 PolarHBondContact O-OG1 3.28Å |
| 733 | H | 86.3 | Confident | 69.2 | Low | 0 Ų | 0 | 69.5 Ų | 69.5 | 0% | 0 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -63.5 | -41.6 | 175.7 | -172.5 | -123.9 | 0 | 0 | 0 | 112.4 | L614 W618 Q673 L676 F677 L729 Q730 Q731 | L614-H733 PolarHBondContact O-CE1 3.19Å; L614-H733 VanDerWaalsContact O-CE1 3.25Å; W618-H733 HydrophobicContact CE3-CB 3.93Å; W618-H733 AromaticContact CE3-CG 3.97Å; W618-H733 AromaticContact CE3-ND1 3.84Å; W618-H733 HydrophobicContact CZ3-CB 4.07Å; Q673-H733 PolarHBondContact NE2-O 2.97Å; L676-H733 HydrophobicContact CD1-CB 4.17Å; F677-H733 AromaticContact CD1-CD2 3.48Å; F677-H733 VanDerWaalsContact CD1-CD2 3.48Å; F677-H733 WeakPolarHBondContact CD1-CD2 3.49Å; F677-H733 AromaticContact CD1-NE2 3.42Å; F677-H733 WeakPolarHBondContact CD1-NE2 3.33Å; F677-H733 AromaticContact CE1-CD2 3.44Å; F677-H733 VanDerWaalsContact CE1-CD2 3.44Å; F677-H733 WeakPolarHBondContact CE1-CD2 3.47Å; F677-H733 AromaticContact CE1-NE2 3.58Å; F677-H733 WeakPolarHBondContact CE1-O 3.34Å; L729-H733 PolarHBondContact O-N 2.87Å; Q730-H733 WeakPolarHBondContact O-CB 3.49Å; Q730-H733 PolarHBondContact O-N 3.02Å; Q731-H733 VanDerWaalsContact C-N 3.27Å; Q731-H733 PolarHBondContact O-N 3.34Å |
| 734 | M | 84.5 | Confident | 67.1 | Low | 55 Ų | 55 | 71.2 Ų | 71.2 | 27% | 0.271 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -86.6 | -23.9 | -173.5 | -64.1 | -170.9 | -170.2 | 0 | 0 | 115.1 | K615 Q730 Q731 | K615-M734 HydrophobicContact CG-CE 3.69Å; Q730-M734 HydrophobicContact CG-CE 3.84Å; Q730-M734 WeakPolarHBondContact O-CG 3.35Å; Q730-M734 PolarHBondContact O-N 3.11Å; Q730-M734 VanDerWaalsContact O-N 3.11Å; Q731-M734 PolarHBondContact O-N 3.49Å; Q731-M734 VanDerWaalsContact O-N 3.16Å |
| 735 | T | 79.9 | Confident | 64.7 | Low | 64 Ų | 64 | 76.3 Ų | 76.3 | 39% | 0.393 | 39% | 0.389 | S | S | . | . | S | Bend | trans | -70.6 | 131.7 | -177.4 | 44.3 | 0 | 0 | 0 | 0 | 114.4 | Q673 Q731 I732 L737 | Q673-T735 PolarHBondContact NE2-O 3.07Å; Q731-T735 HydrophobicContact CG-CG2 4.38Å; Q731-T735 WeakPolarHBondContact O-CG2 3.37Å; Q731-T735 PolarHBondContact O-N 3.03Å; Q731-T735 PolarHBondContact O-OG1 3.08Å; Q731-T735 VanDerWaalsContact O-OG1 3.12Å; I732-T735 PolarHBondContact O-OG1 3.28Å; T735-L737 PolarHBondContact O-N 2.88Å |
| 736 | E | 66.3 | Low | 62.3 | Low | 129 Ų | 129 | 76.9 Ų | 76.9 | 60% | 0.603 | 40% | 0.399 | S | S | * | . | trans | -79.2 | 99.7 | 176.8 | -66.6 | -149.2 | 151.5 | 0 | 0 | 113.4 | R610 G738 | R610-E736 VanDerWaalsContact CD-OE1 3.3Å; R610-E736 WeakPolarHBondContact CD-OE1 3.24Å; R610-E736 IonicContact CZ-OE1 3.2Å; R610-E736 IonicContact NE-OE1 2.69Å; R610-E736 PolarHBondContact NE-OE1 3.47Å; R610-E736 IonicContact NH1-OE1 2.84Å; R610-E736 PolarHBondContact NH1-OE1 2.81Å; R610-E736 IonicContact NH2-OE1 2.73Å; R610-E736 PolarHBondContact NH2-OE1 3.12Å; E736-G738 PolarHBondContact O-N 2.92Å | ||
| 737 | L | 63.9 | Low | 59.8 | Low | 45 Ų | 45 | 78.9 Ų | 78.9 | 24% | 0.236 | 42% | 0.416 | C | S | . | . | trans | -81.4 | 59.9 | 173.3 | -83.5 | 160.4 | 0 | 0 | 0 | 112.6 | I669 R670 T735 | I669-L737 HydrophobicContact CB-CD1 4.16Å; I669-L737 HydrophobicContact CG2-CD1 3.61Å; R670-L737 HydrophobicContact CG-CB 3.88Å; R670-L737 HydrophobicContact CG-CD1 3.88Å; R670-L737 HydrophobicContact CG-CG 4.31Å; R670-L737 PolarHBondContact NE-O 3.44Å; R670-L737 VanDerWaalsContact NE-O 3.11Å; R670-L737 PolarHBondContact NH2-O 3.43Å; T735-L737 PolarHBondContact O-N 2.88Å | ||
| 738 | G | 47 | Very low | 57.3 | Low | 49 Ų | 49 | 84.4 Ų | 84.4 | 51% | 0.505 | 44% | 0.44 | S | S | . | . | trans | -22.7 | 130.3 | -172.5 | 0 | 0 | 0 | 0 | 0 | 117 | R670 E736 K740 | R670-G738 PolarHBondContact NH2-O 2.96Å; E736-G738 PolarHBondContact O-N 2.92Å; G738-K740 PolarHBondContact O-N 2.88Å | ||
| 739 | D | 39.3 | Very low | 54.8 | Low | 131 Ų | 131 | 89.8 Ų | 89.8 | 70% | 0.701 | 47% | 0.466 | S | S | * | . | trans | -77.6 | 75.2 | -145.2 | -160.2 | 2.1 | 0 | 0 | 0 | 116.2 | R741 | D739-R741 PolarHBondContact O-N 2.68Å; D739-R741 VanDerWaalsContact O-N 3.16Å; D739-R741 WeakPolarHBondContact OD1-CB 3.34Å; D739-R741 PolarHBondContact OD1-N 3.31Å | ||
| 740 | K | 39.4 | Very low | 52 | Low | 141 Ų | 141 | 94.5 Ų | 94.5 | 61% | 0.613 | 49% | 0.491 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.2 | 7.2 | 174.3 | -66.9 | -170.3 | 177.7 | -177.4 | 0 | 114.2 | G738 L742 F743 I744 | G738-K740 PolarHBondContact O-N 2.88Å; K740-L742 PolarHBondContact O-N 3.47Å; K740-F743 WeakPolarHBondContact O-CB 3.38Å; K740-F743 PolarHBondContact O-N 2.79Å; K740-I744 PolarHBondContact O-N 3.41Å |
| 741 | R | 35.1 | Very low | 49.2 | Very low | 180 Ų | 180 | 98.4 Ų | 98.4 | 68% | 0.679 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -63.6 | -23.7 | 175.7 | -85.9 | -175.9 | 155.4 | 175.5 | -5.7 | 113.5 | D739 F743 | D739-R741 PolarHBondContact O-N 2.68Å; D739-R741 VanDerWaalsContact O-N 3.16Å; D739-R741 WeakPolarHBondContact OD1-CB 3.34Å; D739-R741 PolarHBondContact OD1-N 3.31Å; R741-F743 PolarHBondContact O-N 2.99Å |
| 742 | L | 34.4 | Very low | 46.6 | Very low | 166 Ų | 166 | 97.1 Ų | 97.1 | 87% | 0.869 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -74.9 | -7.7 | 171.9 | -127.8 | 162.5 | 0 | 0 | 0 | 113.6 | K740 | K740-L742 PolarHBondContact O-N 3.47Å |
| 743 | F | 33.3 | Very low | 43.9 | Very low | 161 Ų | 161 | 98.7 Ų | 98.7 | 71% | 0.706 | 54% | 0.539 | S | S | * | . | H | α-helix | trans | -101.6 | -41.4 | 178.1 | -149.6 | -94.4 | 0 | 0 | 0 | 112.5 | K740 R741 G746 A747 | K740-F743 WeakPolarHBondContact O-CB 3.38Å; K740-F743 PolarHBondContact O-N 2.79Å; R741-F743 PolarHBondContact O-N 2.99Å; F743-G746 CarbonylContact O-C 3.56Å; F743-G746 WeakPolarHBondContact O-CA 3.4Å; F743-G746 PolarHBondContact O-N 3.1Å; F743-G746 VanDerWaalsContact O-N 3.1Å; F743-A747 PolarHBondContact O-N 3.26Å |
| 744 | I | 34.8 | Very low | 41 | Very low | 94 Ų | 94 | 106.6 Ų | 106.6 | 48% | 0.482 | 58% | 0.582 | S | S | . | * | H | α-helix | trans | -73.6 | -38.3 | -170.7 | -62.2 | 175.1 | 0 | 0 | 0 | 112.8 | K740 G746 A747 L748 | K740-I744 PolarHBondContact O-N 3.41Å; I744-G746 PolarHBondContact O-N 3.45Å; I744-A747 WeakPolarHBondContact O-CB 3.42Å; I744-A747 PolarHBondContact O-N 2.87Å; I744-L748 PolarHBondContact O-N 3.14Å |
| 745 | L | 31.4 | Very low | 38.5 | Very low | 150 Ų | 150 | 108 Ų | 108 | 79% | 0.785 | 60% | 0.597 | S | S | * | * | H | α-helix | trans | -68.8 | -13.7 | 170.6 | -83 | 165.3 | 0 | 0 | 0 | 113.2 | ||
| 746 | G | 32.8 | Very low | 36.3 | Very low | 32 Ų | 32 | 108 Ų | 108 | 33% | 0.33 | 60% | 0.599 | S | S | . | * | H | α-helix | trans | -88.1 | -26.8 | 166.7 | 0 | 0 | 0 | 0 | 0 | 113.5 | F743 I744 N750 | F743-G746 CarbonylContact O-C 3.56Å; F743-G746 WeakPolarHBondContact O-CA 3.4Å; F743-G746 PolarHBondContact O-N 3.1Å; F743-G746 VanDerWaalsContact O-N 3.1Å; I744-G746 PolarHBondContact O-N 3.45Å; G746-N750 WeakPolarHBondContact O-CB 3.48Å; G746-N750 PolarHBondContact O-N 3.42Å; G746-N750 PolarHBondContact O-ND2 2.96Å; G746-N750 VanDerWaalsContact O-ND2 3.1Å |
| 747 | A | 32.4 | Very low | 34.9 | Very low | 44 Ų | 44 | 106.5 Ų | 106.5 | 36% | 0.364 | 60% | 0.596 | S | S | . | * | H | α-helix | trans | -71.8 | -47.2 | -177.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | F743 I744 N749 N750 S751 | F743-A747 PolarHBondContact O-N 3.26Å; I744-A747 WeakPolarHBondContact O-CB 3.42Å; I744-A747 PolarHBondContact O-N 2.87Å; A747-N749 PolarHBondContact O-N 2.9Å; A747-N749 VanDerWaalsContact O-N 3.09Å; A747-N750 PolarHBondContact O-N 3.49Å; A747-S751 PolarHBondContact O-N 3.28Å; A747-S751 PolarHBondContact O-OG 3.02Å |
| 748 | L | 31 | Very low | 33.5 | Very low | 139 Ų | 139 | 107 Ų | 107 | 73% | 0.728 | 61% | 0.612 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -65.2 | -13.2 | 179.9 | -79.8 | 162.7 | 0 | 0 | 0 | 114.3 | I744 | I744-L748 PolarHBondContact O-N 3.14Š|
| 749 | N | 32.1 | Very low | 33 | Very low | 129 Ų | 129 | 109.1 Ų | 109.1 | 69% | 0.69 | 61% | 0.612 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -105.2 | 3.9 | 172.1 | -109.5 | -19.6 | 0 | 0 | 0 | 113.6 | A747 | A747-N749 PolarHBondContact O-N 2.9Å; A747-N749 VanDerWaalsContact O-N 3.09Å |
| 750 | N | 30 | Very low | 33.1 | Very low | 99 Ų | 99 | 107.2 Ų | 107.2 | 53% | 0.529 | 60% | 0.602 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -114.8 | -3.9 | 177.4 | -82.4 | -30.6 | 0 | 0 | 0 | 113.9 | G746 A747 S752 S753 | G746-N750 WeakPolarHBondContact O-CB 3.48Å; G746-N750 PolarHBondContact O-N 3.42Å; G746-N750 PolarHBondContact O-ND2 2.96Å; G746-N750 VanDerWaalsContact O-ND2 3.1Å; A747-N750 PolarHBondContact O-N 3.49Å; N750-S752 PolarHBondContact O-N 3.46Å; N750-S753 PolarHBondContact O-N 2.83Å; N750-S753 PolarHBondContact O-OG 3.44Å; N750-S753 PolarHBondContact OD1-OG 3.15Å; N750-S753 VanDerWaalsContact OD1-OG 3.04Å |
| 751 | S | 29 | Very low | 33.2 | Very low | 105 Ų | 105 | 103.9 Ų | 103.9 | 73% | 0.734 | 59% | 0.59 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -58.1 | -9.8 | 169.2 | -47 | 0 | 0 | 0 | 0 | 114.1 | A747 | A747-S751 PolarHBondContact O-N 3.28Å; A747-S751 PolarHBondContact O-OG 3.02Å |
| 752 | S | 29.8 | Very low | 33.5 | Very low | 108 Ų | 108 | 102.4 Ų | 102.4 | 76% | 0.755 | 59% | 0.585 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -121.9 | 8.2 | -173.8 | 53.7 | 0 | 0 | 0 | 0 | 114.5 | N750 | N750-S752 PolarHBondContact O-N 3.46Š|
| 753 | S | 28.3 | Very low | 33.9 | Very low | 51 Ų | 51 | 96 Ų | 96 | 36% | 0.357 | 55% | 0.552 | S | S | . | * | trans | -132.8 | 11.7 | -171.3 | 64.8 | 0 | 0 | 0 | 0 | 115.3 | N750 S755 | N750-S753 PolarHBondContact O-N 2.83Å; N750-S753 PolarHBondContact O-OG 3.44Å; N750-S753 PolarHBondContact OD1-OG 3.15Å; N750-S753 VanDerWaalsContact OD1-OG 3.04Å; S753-S755 PolarHBondContact O-N 2.93Å | ||
| 754 | N | 27.1 | Very low | 34.4 | Very low | 167 Ų | 167 | 92 Ų | 92 | 89% | 0.893 | 54% | 0.536 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75.3 | 36.5 | -167.1 | -149 | 18.1 | 0 | 0 | 0 | 115.4 | ||
| 755 | S | 30.6 | Very low | 34.8 | Very low | 83 Ų | 83 | 93.2 Ų | 93.2 | 58% | 0.58 | 54% | 0.539 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -135.8 | 10 | -176.5 | 62.8 | 0 | 0 | 0 | 0 | 113.6 | S753 K912 | S753-S755 PolarHBondContact O-N 2.93Å; S755-K912 VanDerWaalsContact O-CE 3.28Å; S755-K912 WeakPolarHBondContact O-CE 3.48Å; S755-K912 PolarHBondContact O-NZ 2.86Å; S755-K912 WeakPolarHBondContact OG-CE 3.33Å |
| 756 | S | 33.4 | Very low | 35.2 | Very low | 64 Ų | 64 | 88.2 Ų | 88.2 | 45% | 0.448 | 51% | 0.513 | S | S | . | . | trans | -113.7 | 5 | -167.2 | -141 | 0 | 0 | 0 | 0 | 118.4 | G758 K912 | S756-G758 VanDerWaalsContact C-N 3.3Å; S756-G758 PolarHBondContact O-N 3.4Å; S756-K912 VanDerWaalsContact CA-NZ 3.27Å; S756-K912 PolarHBondContact OG-NZ 2.98Å | ||
| 757 | D | 38.9 | Very low | 35.7 | Very low | 98 Ų | 98 | 88.3 Ų | 88.3 | 52% | 0.524 | 51% | 0.514 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -83.7 | -2.2 | 179.9 | -160.9 | 58.6 | 0 | 0 | 0 | 113.8 | R581 | R581-D757 IonicContact CZ-OD1 2.98Å; R581-D757 IonicContact CZ-OD2 3.49Å; R581-D757 IonicContact NH1-OD1 2.65Å; R581-D757 PolarHBondContact NH1-OD1 3.32Å; R581-D757 IonicContact NH1-OD2 3.56Å; R581-D757 PolarHBondContact NH1-OD2 2.95Å; R581-D757 VanDerWaalsContact NH1-OD2 3.11Å; R581-D757 IonicContact NH2-OD1 2.58Å; R581-D757 IonicContact NH2-OD2 2.71Å; R581-D757 PolarHBondContact NH2-OD2 3.17Å |
| 758 | G | 34 | Very low | 36.3 | Very low | 56 Ų | 56 | 86.8 Ų | 86.8 | 58% | 0.577 | 50% | 0.5 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.3 | -40.2 | 177.8 | 0 | 0 | 0 | 0 | 0 | 114.9 | S756 | S756-G758 VanDerWaalsContact C-N 3.3Å; S756-G758 PolarHBondContact O-N 3.4Å |
| 759 | D | 37 | Very low | 36.9 | Very low | 93 Ų | 93 | 82.6 Ų | 82.6 | 50% | 0.497 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -68.9 | -39.6 | -177.5 | -84.1 | -47.6 | 0 | 0 | 0 | 112.7 | L761 Y762 N763 | D759-L761 PolarHBondContact O-N 3.29Å; D759-Y762 PolarHBondContact O-N 2.9Å; D759-N763 PolarHBondContact O-N 3.17Å; D759-N763 PolarHBondContact O-ND2 2.85Å |
| 760 | D | 41.3 | Very low | 37.2 | Very low | 92 Ų | 92 | 79.5 Ų | 79.5 | 49% | 0.492 | 47% | 0.465 | S | S | . | . | H | α-helix | trans | -64.7 | -29.9 | -176.8 | -96.5 | -26.7 | 0 | 0 | 0 | 111.6 | N763 E764 R959 | D760-N763 PolarHBondContact O-N 3.41Å; D760-E764 WeakPolarHBondContact O-CB 3.34Å; D760-E764 PolarHBondContact O-N 3.41Å; D760-R959 IonicContact OD1-NH1 3.96Å; D760-R959 PolarHBondContact OD1-NH1 3.2Å |
| 761 | L | 41 | Very low | 37.6 | Very low | 70 Ų | 70 | 77.2 Ų | 77.2 | 37% | 0.366 | 46% | 0.457 | S | S | . | . | H | α-helix | trans | -65.4 | -43.3 | 177.4 | -146.5 | 84.1 | 0 | 0 | 0 | 112.1 | D759 N763 E764 E765 | D759-L761 PolarHBondContact O-N 3.29Å; L761-N763 VanDerWaalsContact C-N 3.32Å; L761-N763 PolarHBondContact O-N 3.26Å; L761-E764 PolarHBondContact O-N 3.39Å; L761-E765 PolarHBondContact O-N 3.09Å |
| 762 | Y | 41.1 | Very low | 38.2 | Very low | 149 Ų | 149 | 80.4 Ų | 80.4 | 58% | 0.584 | 47% | 0.466 | S | S | * | . | H | α-helix | trans | -68.4 | -33 | 178 | -166.1 | -109.3 | 0 | 0 | 0 | 111.8 | D759 L766 | D759-Y762 PolarHBondContact O-N 2.9Å; Y762-L766 HydrophobicContact CD1-CD1 3.93Å; Y762-L766 HydrophobicContact CE1-CD1 3.63Å; Y762-L766 WeakPolarHBondContact O-CB 3.41Å; Y762-L766 WeakPolarHBondContact O-CG 3.45Å; Y762-L766 PolarHBondContact O-N 3.46Å; Y762-L766 VanDerWaalsContact O-N 3.14Å |
| 763 | N | 42.5 | Very low | 38.7 | Very low | 33 Ų | 33 | 78.4 Ų | 78.4 | 18% | 0.176 | 45% | 0.447 | C | S | . | . | H | α-helix | trans | -74.7 | -27.8 | 174.3 | -75.5 | -87.1 | 0 | 0 | 0 | 113.2 | D759 D760 L761 G767 I768 | D759-N763 PolarHBondContact O-N 3.17Å; D759-N763 PolarHBondContact O-ND2 2.85Å; D760-N763 PolarHBondContact O-N 3.41Å; L761-N763 VanDerWaalsContact C-N 3.32Å; L761-N763 PolarHBondContact O-N 3.26Å; N763-G767 PolarHBondContact O-N 3.42Å; N763-I768 PolarHBondContact O-N 3.49Å |
| 764 | E | 44.8 | Very low | 39.4 | Very low | 77 Ų | 77 | 84.6 Ų | 84.6 | 36% | 0.36 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -70.3 | -47.1 | 171.7 | -163.3 | 172.6 | -175.4 | 0 | 0 | 110.3 | V582 D760 L761 L766 G767 | V582-E764 PolarHBondContact N-OE1 3.42Å; V582-E764 VanDerWaalsContact N-OE1 3.16Å; D760-E764 WeakPolarHBondContact O-CB 3.34Å; D760-E764 PolarHBondContact O-N 3.41Å; L761-E764 PolarHBondContact O-N 3.39Å; E764-L766 PolarHBondContact O-N 2.9Å; E764-G767 PolarHBondContact O-N 3.38Å |
| 765 | E | 41.9 | Very low | 40.5 | Very low | 119 Ų | 119 | 82.2 Ų | 82.2 | 56% | 0.556 | 46% | 0.457 | S | S | * | . | H | α-helix | trans | -63.8 | -36.6 | 178.1 | -160.9 | -172.7 | 162.9 | 0 | 0 | 112.8 | R538 L761 G767 | R538-E765 IonicContact NH1-OE1 3.24Å; R538-E765 PolarHBondContact NH1-OE1 2.73Å; L761-E765 PolarHBondContact O-N 3.09Å; E765-G767 PolarHBondContact O-N 3.32Å |
| 766 | L | 39.6 | Very low | 41.4 | Very low | 44 Ų | 44 | 81.6 Ų | 81.6 | 23% | 0.23 | 45% | 0.449 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -77.5 | -1.7 | 174.5 | -69.5 | 178.3 | 0 | 0 | 0 | 114.4 | Y762 E764 I768 I966 | Y762-L766 HydrophobicContact CD1-CD1 3.93Å; Y762-L766 HydrophobicContact CE1-CD1 3.63Å; Y762-L766 WeakPolarHBondContact O-CB 3.41Å; Y762-L766 WeakPolarHBondContact O-CG 3.45Å; Y762-L766 PolarHBondContact O-N 3.46Å; Y762-L766 VanDerWaalsContact O-N 3.14Å; E764-L766 PolarHBondContact O-N 2.9Å; L766-I768 VanDerWaalsContact C-N 3.34Å; L766-I768 HydrophobicContact CB-CD1 3.78Å; L766-I768 HydrophobicContact CB-CG1 3.77Å; L766-I768 HydrophobicContact CD1-CD1 4.11Å; L766-I768 PolarHBondContact O-N 3.44Å; L766-I966 HydrophobicContact CD1-CG2 4.44Å; L766-I966 HydrophobicContact CD2-CG2 4.18Å |
| 767 | G | 43.9 | Very low | 42.4 | Very low | 34 Ų | 34 | 82.9 Ų | 82.9 | 35% | 0.351 | 46% | 0.455 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 67.3 | 26.5 | 175.4 | 0 | 0 | 0 | 0 | 0 | 115 | N763 E764 E765 S769 | N763-G767 PolarHBondContact O-N 3.42Å; E764-G767 PolarHBondContact O-N 3.38Å; E765-G767 PolarHBondContact O-N 3.32Å; G767-S769 PolarHBondContact O-N 3.28Å |
| 768 | I | 44.5 | Very low | 42.9 | Very low | 12 Ų | 12 | 80.4 Ų | 80.4 | 6% | 0.062 | 44% | 0.443 | C | S | . | . | trans | -80.3 | 36.6 | -173.2 | -48.4 | 178.2 | 0 | 0 | 0 | 111.4 | N763 L766 V962 A963 I966 L974 | N763-I768 PolarHBondContact O-N 3.49Å; L766-I768 VanDerWaalsContact C-N 3.34Å; L766-I768 HydrophobicContact CB-CD1 3.78Å; L766-I768 HydrophobicContact CB-CG1 3.77Å; L766-I768 HydrophobicContact CD1-CD1 4.11Å; L766-I768 PolarHBondContact O-N 3.44Å; I768-V962 HydrophobicContact CG1-CG1 4.49Å; I768-V962 HydrophobicContact CG2-CB 4.26Å; I768-V962 HydrophobicContact CG2-CG1 3.83Å; I768-A963 HydrophobicContact CD1-CB 4.19Å; I768-I966 HydrophobicContact CD1-CD1 3.78Å; I768-I966 HydrophobicContact CG1-CD1 4Å; I768-L974 HydrophobicContact CG2-CD2 4.25Å | ||
| 769 | S | 44 | Very low | 44.2 | Very low | 51 Ų | 51 | 82.2 Ų | 82.2 | 36% | 0.357 | 44% | 0.437 | S | S | . | . | trans | -134.8 | 68.3 | -161.6 | -155 | 0 | 0 | 0 | 0 | 112.1 | R584 G767 | R584-S769 WeakPolarHBondContact CD-OG 3.39Å; R584-S769 VanDerWaalsContact NH1-C 3.26Å; R584-S769 PolarHBondContact NH1-O 3.07Å; R584-S769 PolarHBondContact NH1-OG 3.18Å; G767-S769 PolarHBondContact O-N 3.28Å | ||
| 770 | D | 38.1 | Very low | 45.5 | Very low | 64 Ų | 64 | 82.1 Ų | 82.1 | 34% | 0.342 | 43% | 0.432 | S | S | . | . | trans | -87.4 | 121.7 | -172.8 | 84.4 | -106.7 | 0 | 0 | 0 | 115.3 | R584 R958 L974 K978 | R584-D770 PolarHBondContact NH2-O 2.99Å; D770-R958 IonicContact OD1-CZ 3.64Å; D770-R958 IonicContact OD1-NH2 3.83Å; D770-R958 PolarHBondContact OD1-NH2 3.02Å; D770-R958 IonicContact OD2-NH2 3.87Å; D770-L974 HydrophobicContact CB-CD2 4.03Å; D770-K978 WeakPolarHBondContact OD1-CE 3.39Å; D770-K978 IonicContact OD1-NZ 2.72Å; D770-K978 PolarHBondContact OD1-NZ 3.29Å; D770-K978 WeakPolarHBondContact OD2-CE 3.48Å; D770-K978 IonicContact OD2-NZ 3.39Å; D770-K978 PolarHBondContact OD2-NZ 3.1Å | ||
| 771 | S | 39.8 | Very low | 47 | Very low | 52 Ų | 52 | 83.4 Ų | 83.4 | 36% | 0.364 | 44% | 0.435 | S | S | . | . | trans | -173.5 | 153 | 147.3 | 70.1 | 0 | 0 | 0 | 0 | 108.8 | R584 D773 | R584-S771 PolarHBondContact NH2-OG 3.33Å; S771-D773 VanDerWaalsContact CB-OD2 3.3Å; S771-D773 WeakPolarHBondContact CB-OD2 3.3Å; S771-D773 PolarHBondContact O-N 3.32Å; S771-D773 PolarHBondContact OG-OD2 3.36Å | ||
| 772 | N | 40.5 | Very low | 48.6 | Very low | 171 Ų | 171 | 82.2 Ų | 82.2 | 91% | 0.914 | 43% | 0.43 | S | S | * | . | trans | -86.1 | 79.1 | 173.3 | -70.4 | -6.6 | 0 | 0 | 0 | 109.7 | ||||
| 773 | D | 41.3 | Very low | 50.5 | Low | 67 Ų | 67 | 78.5 Ų | 78.5 | 36% | 0.358 | 42% | 0.423 | S | S | . | . | trans | -126.4 | 150.5 | 173.8 | -70.5 | -80.3 | 0 | 0 | 0 | 109.9 | K587 S771 L775 | K587-D773 WeakPolarHBondContact CE-OD1 3.36Å; K587-D773 IonicContact NZ-OD1 2.73Å; K587-D773 PolarHBondContact NZ-OD1 3.37Å; S771-D773 VanDerWaalsContact CB-OD2 3.3Å; S771-D773 WeakPolarHBondContact CB-OD2 3.3Å; S771-D773 PolarHBondContact O-N 3.32Å; S771-D773 PolarHBondContact OG-OD2 3.36Å; D773-L775 PolarHBondContact O-N 2.92Å | ||
| 774 | E | 43.1 | Very low | 52.3 | Low | 180 Ų | 180 | 77.7 Ų | 77.7 | 84% | 0.841 | 42% | 0.418 | S | S | * | . | trans | -61.6 | 129.1 | -177.7 | -69.6 | 171.4 | 125.7 | 0 | 0 | 112.1 | ||||
| 775 | L | 50.1 | Low | 54.2 | Low | 118 Ų | 118 | 77.8 Ų | 77.8 | 62% | 0.618 | 42% | 0.421 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -90 | 105.6 | -175.9 | -64.3 | -179.9 | 0 | 0 | 0 | 109.9 | V582 D773 T777 | V582-L775 HydrophobicContact CG1-CB 3.65Å; V582-L775 HydrophobicContact CG1-CD1 4.17Å; V582-L775 HydrophobicContact CG1-CD2 3.89Å; V582-L775 HydrophobicContact CG1-CG 4.1Å; D773-L775 PolarHBondContact O-N 2.92Å; L775-T777 PolarHBondContact O-N 3.17Å |
| 776 | V | 49.2 | Very low | 56.4 | Low | 69 Ų | 69 | 74 Ų | 74 | 42% | 0.418 | 40% | 0.403 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.7 | 107.2 | 175 | -176.3 | 0 | 0 | 0 | 0 | 109.3 | H583 M585 T778 | H583-V776 PolarHBondContact N-O 3.33Å; H583-V776 VanDerWaalsContact N-O 3.17Å; M585-V776 HydrophobicContact CG-CG2 4.4Å; V776-T778 HydrophobicContact CG1-CG2 4.22Å; V776-T778 PolarHBondContact O-N 3.25Å |
| 777 | T | 53.6 | Low | 58.6 | Low | 92 Ų | 92 | 74.3 Ų | 74.3 | 56% | 0.564 | 41% | 0.409 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -69.9 | 105.5 | 170.3 | 47.5 | 0 | 0 | 0 | 0 | 109.8 | V582 L775 | V582-T777 HydrophobicContact CG2-CG2 4.48Å; L775-T777 PolarHBondContact O-N 3.17Å |
| 778 | T | 50.5 | Low | 60.6 | Low | 45 Ų | 45 | 74.6 Ų | 74.6 | 28% | 0.276 | 41% | 0.408 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.4 | 124.5 | 171.2 | 64.4 | 0 | 0 | 0 | 0 | 109.2 | R581 H583 V776 | R581-T778 PolarHBondContact N-O 3.48Å; R581-T778 VanDerWaalsContact N-O 3.1Å; R581-T778 PolarHBondContact O-N 3.4Å; R581-T778 VanDerWaalsContact O-N 3.14Å; R581-T778 PolarHBondContact O-OG1 3.01Å; H583-T778 HydrophobicContact CB-CG2 4.26Å; H583-T778 PolarHBondContact CE1-OG1 3.17Å; H583-T778 PolarHBondContact ND1-OG1 2.7Å; V776-T778 HydrophobicContact CG1-CG2 4.22Å; V776-T778 PolarHBondContact O-N 3.25Å |
| 779 | E | 60.1 | Low | 62.7 | Low | 94 Ų | 94 | 74.3 Ų | 74.3 | 44% | 0.439 | 41% | 0.406 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.6 | 126.8 | 173.7 | -47.5 | -161.3 | 122.1 | 0 | 0 | 108.6 | K578 R580 | K578-E779 WeakPolarHBondContact CE-OE1 3.49Å; K578-E779 WeakPolarHBondContact CE-OE2 3.26Å; K578-E779 IonicContact NZ-OE1 3.12Å; K578-E779 PolarHBondContact NZ-OE1 2.85Å; K578-E779 IonicContact NZ-OE2 3.99Å; K578-E779 PolarHBondContact NZ-OE2 3.2Å; R580-E779 HydrophobicContact CG-CG 4.16Å; R580-E779 IonicContact CZ-OE1 3.01Å; R580-E779 IonicContact NE-OE1 3.36Å; R580-E779 PolarHBondContact NE-OE1 2.71Å; R580-E779 IonicContact NH2-OE1 4Å; R580-E779 PolarHBondContact NH2-OE1 2.92Å |
| 780 | K | 64 | Low | 64.9 | Low | 92 Ų | 92 | 71.9 Ų | 71.9 | 40% | 0.4 | 39% | 0.389 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.6 | 130.2 | 177.7 | -75.5 | -176.2 | 173.9 | 177.6 | 0 | 109.8 | R579 H583 V782 | R579-K780 PolarHBondContact N-O 3.03Å; R579-K780 PolarHBondContact O-N 3.41Å; H583-K780 PolarHBondContact CE1-NZ 2.98Å; H583-K780 PolarHBondContact NE2-NZ 3.31Å; K780-V782 HydrophobicContact CB-CG2 4.35Å |
| 781 | E | 73 | Confident | 67.3 | Low | 119 Ų | 119 | 72.3 Ų | 72.3 | 56% | 0.556 | 39% | 0.391 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -79 | 126.1 | 170 | -71.8 | -166.9 | 158.4 | 0 | 0 | 109.9 | Y525 I576 | Y525-E781 HydrophobicContact CE2-CG 4.48Å; Y525-E781 VanDerWaalsContact CE2-OE1 3.31Å; Y525-E781 WeakPolarHBondContact CE2-OE1 3.43Å; Y525-E781 PolarHBondContact OH-OE1 3.49Å; I576-E781 HydrophobicContact CG2-CB 3.61Å; I576-E781 HydrophobicContact CG2-CG 4.03Å |
| 782 | V | 76.1 | Confident | 69.6 | Low | 44 Ų | 44 | 72.7 Ų | 72.7 | 27% | 0.267 | 39% | 0.386 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.3 | 137.8 | -175.4 | -174.1 | 0 | 0 | 0 | 0 | 108.7 | V577 R579 K780 L784 | V577-V782 PolarHBondContact N-O 3.33Å; V577-V782 PolarHBondContact O-N 3.18Å; R579-V782 HydrophobicContact CB-CG2 4.48Å; K780-V782 HydrophobicContact CB-CG2 4.35Å; V782-L784 PolarHBondContact O-N 2.88Å |
| 783 | V | 79.2 | Confident | 72.1 | Confident | 71 Ų | 71 | 64.6 Ų | 64.6 | 43% | 0.43 | 34% | 0.343 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -63.9 | 133.1 | 172.8 | 170.3 | 0 | 0 | 0 | 0 | 110 | K574 I575 D785 | K574-V783 HydrophobicContact CB-CG1 3.78Å; K574-V783 HydrophobicContact CB-CG2 4Å; K574-V783 HydrophobicContact CD-CG1 4.2Å; K574-V783 HydrophobicContact CD-CG2 4.29Å; K574-V783 HydrophobicContact CG-CG1 4.1Å; I575-V783 CarbonylContact O-C 3.54Å; I575-V783 WeakPolarHBondContact O-CA 3.23Å; V783-D785 PolarHBondContact O-N 2.73Å |
| 784 | L | 81.3 | Confident | 74.3 | Confident | 16 Ų | 16 | 61.4 Ų | 61.4 | 8% | 0.084 | 33% | 0.326 | C | S | . | . | trans | -68.9 | 117.5 | 174.5 | -175.1 | 129.9 | 0 | 0 | 0 | 111.2 | Q530 L564 I568 I575 V577 V782 F786 | Q530-L784 VanDerWaalsContact OE1-CD1 3.23Å; L564-L784 HydrophobicContact CD1-CD1 4.49Å; L564-L784 HydrophobicContact CD1-CD2 4.4Å; L564-L784 HydrophobicContact CD2-CD1 4.32Å; L564-L784 HydrophobicContact CD2-CD2 4.18Å; I568-L784 HydrophobicContact CD1-CD2 3.64Å; I575-L784 HydrophobicContact CB-CB 4.46Å; I575-L784 PolarHBondContact O-N 3.35Å; V577-L784 HydrophobicContact CG2-CB 3.79Å; V577-L784 HydrophobicContact CG2-CD1 3.92Å; V577-L784 HydrophobicContact CG2-CG 4.5Å; V782-L784 PolarHBondContact O-N 2.88Å; L784-F786 HydrophobicContact CD2-CB 3.98Å; L784-F786 HydrophobicContact CD2-CD2 4.36Å; L784-F786 PolarHBondContact O-N 3.27Å | ||
| 785 | D | 84.9 | Confident | 76.4 | Confident | 79 Ų | 79 | 56 Ų | 56 | 42% | 0.422 | 30% | 0.301 | S | S | . | . | trans | -81.6 | 107.7 | 160.9 | -179.6 | -13.3 | 0 | 0 | 0 | 108.9 | V783 S787 A788 F789 | V783-D785 PolarHBondContact O-N 2.73Å; D785-S787 WeakPolarHBondContact OD1-CA 3.42Å; D785-S787 WeakPolarHBondContact OD1-CB 3.41Å; D785-S787 PolarHBondContact OD1-N 3.35Å; D785-S787 PolarHBondContact OD1-OG 2.91Å; D785-A788 HydrophobicContact CB-CB 3.84Å; D785-A788 VanDerWaalsContact CG-CB 3.45Å; D785-A788 PolarHBondContact O-N 3.43Å; D785-A788 PolarHBondContact OD1-N 2.93Å; D785-A788 WeakPolarHBondContact OD2-CB 3.2Å; D785-F789 PolarHBondContact O-N 3.4Å; D785-F789 VanDerWaalsContact O-N 3.08Å | ||
| 786 | F | 86.9 | Confident | 78.3 | Confident | 39 Ų | 39 | 51.9 Ų | 51.9 | 17% | 0.171 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -68.3 | -37.2 | -179.7 | -176.9 | -95.7 | 0 | 0 | 0 | 112.3 | I561 L564 I568 L784 F789 M790 | I561-F786 HydrophobicContact CG2-CZ 4.13Å; L564-F786 HydrophobicContact CB-CE2 4.42Å; L564-F786 HydrophobicContact CD2-CD2 3.97Å; L564-F786 HydrophobicContact CD2-CE2 4.06Å; L564-F786 HydrophobicContact CG-CD2 4.09Å; L564-F786 HydrophobicContact CG-CE2 4.13Å; I568-F786 HydrophobicContact CD1-CB 3.96Å; I568-F786 HydrophobicContact CD1-CD2 3.63Å; I568-F786 HydrophobicContact CD1-CG 4.1Å; L784-F786 HydrophobicContact CD2-CB 3.98Å; L784-F786 HydrophobicContact CD2-CD2 4.36Å; L784-F786 PolarHBondContact O-N 3.27Å; F786-F789 HydrophobicContact CD2-CD1 4.29Å; F786-F789 HydrophobicContact CE2-CD1 4.27Å; F786-F789 WeakPolarHBondContact O-CB 3.39Å; F786-F789 PolarHBondContact O-N 2.75Å; F786-M790 HydrophobicContact CD1-CG 3.9Å; F786-M790 HydrophobicContact CE1-CG 3.48Å; F786-M790 VanDerWaalsContact CE1-CG 3.48Å; F786-M790 HydrophobicContact CE1-SD 3.89Å; F786-M790 HydrophobicContact CE2-SD 4.5Å; F786-M790 HydrophobicContact CZ-CG 3.9Å; F786-M790 HydrophobicContact CZ-SD 3.72Å; F786-M790 WeakPolarHBondContact O-CG 3.37Å; F786-M790 PolarHBondContact O-N 2.94Å |
| 787 | S | 85.9 | Confident | 80.3 | Confident | 52 Ų | 52 | 55.6 Ų | 55.6 | 36% | 0.364 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -60.6 | -49.7 | 174.1 | 13.8 | 0 | 0 | 0 | 0 | 110.4 | D785 F789 M790 L791 E831 | D785-S787 WeakPolarHBondContact OD1-CA 3.42Å; D785-S787 WeakPolarHBondContact OD1-CB 3.41Å; D785-S787 PolarHBondContact OD1-N 3.35Å; D785-S787 PolarHBondContact OD1-OG 2.91Å; S787-F789 VanDerWaalsContact C-N 3.26Å; S787-F789 PolarHBondContact O-N 3.05Å; S787-M790 WeakPolarHBondContact O-CB 3.47Å; S787-M790 PolarHBondContact O-N 3.43Å; S787-M790 VanDerWaalsContact O-N 3.07Å; S787-L791 WeakPolarHBondContact O-CG 3.49Å; S787-L791 PolarHBondContact O-N 2.66Å; S787-E831 WeakPolarHBondContact CB-OE2 3.47Å |
| 788 | A | 86.5 | Confident | 82.2 | Confident | 39 Ų | 39 | 51.2 Ų | 51.2 | 32% | 0.322 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -63.7 | -27.8 | 175.5 | 0 | 0 | 0 | 0 | 0 | 113.8 | D785 | D785-A788 HydrophobicContact CB-CB 3.84Å; D785-A788 VanDerWaalsContact CG-CB 3.45Å; D785-A788 PolarHBondContact O-N 3.43Å; D785-A788 PolarHBondContact OD1-N 2.93Å; D785-A788 WeakPolarHBondContact OD2-CB 3.2Å |
| 789 | F | 88.9 | Confident | 84.2 | Confident | 6 Ų | 6 | 49.3 Ų | 49.3 | 3% | 0.026 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -69.7 | -46.4 | 168.7 | 166.6 | -109.1 | 0 | 0 | 0 | 111.8 | Q530 F560 I561 L564 D785 F786 S787 L791 K792 F793 | Q530-F789 HydrophobicContact CB-CD2 4.25Å; Q530-F789 HydrophobicContact CB-CE2 4.03Å; Q530-F789 WeakPolarHBondContact O-CE2 3.39Å; F560-F789 AromaticContact CD1-CZ 3.84Å; F560-F789 HydrophobicContact CD1-CZ 3.84Å; F560-F789 HydrophobicContact CE1-CE2 4.27Å; F560-F789 AromaticContact CE1-CZ 3.83Å; F560-F789 HydrophobicContact CE1-CZ 3.83Å; I561-F789 HydrophobicContact CG1-CE1 3.83Å; I561-F789 HydrophobicContact CG1-CZ 4.18Å; L564-F789 HydrophobicContact CD2-CD1 3.71Å; L564-F789 HydrophobicContact CD2-CE1 3.64Å; L564-F789 HydrophobicContact CD2-CG 4.39Å; L564-F789 HydrophobicContact CD2-CZ 4.28Å; D785-F789 PolarHBondContact O-N 3.4Å; D785-F789 VanDerWaalsContact O-N 3.08Å; F786-F789 HydrophobicContact CD2-CD1 4.29Å; F786-F789 HydrophobicContact CE2-CD1 4.27Å; F786-F789 WeakPolarHBondContact O-CB 3.39Å; F786-F789 PolarHBondContact O-N 2.75Å; S787-F789 VanDerWaalsContact C-N 3.26Å; S787-F789 PolarHBondContact O-N 3.05Å; F789-L791 VanDerWaalsContact C-N 3.3Å; F789-L791 PolarHBondContact O-N 2.92Å; F789-K792 HydrophobicContact CD2-CD 4.46Å; F789-K792 WeakPolarHBondContact O-CB 3.42Å; F789-K792 WeakPolarHBondContact O-CG 3.26Å; F789-K792 PolarHBondContact O-N 3.14Å; F789-F793 HydrophobicContact CE1-CE2 4.09Å; F789-F793 HydrophobicContact CE2-CE2 4.01Å; F789-F793 AromaticContact CZ-CE2 3.69Å; F789-F793 HydrophobicContact CZ-CE2 3.69Å; F789-F793 HydrophobicContact CZ-CZ 4.13Å |
| 790 | M | 90.5 | Very high | 85.7 | Confident | 0 Ų | 0 | 47.3 Ų | 47.3 | 0% | 0 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -59.5 | -37.2 | 177.2 | -72.6 | -59.1 | -48.4 | 0 | 0 | 112.5 | I561 F786 S787 K792 F793 R826 L827 E831 | I561-M790 HydrophobicContact CD1-CE 4.33Å; I561-M790 HydrophobicContact CD1-SD 4.29Å; I561-M790 HydrophobicContact CG1-SD 4.13Å; I561-M790 HydrophobicContact CG2-CE 4.38Å; I561-M790 HydrophobicContact CG2-SD 3.65Å; F786-M790 HydrophobicContact CD1-CG 3.9Å; F786-M790 HydrophobicContact CE1-CG 3.48Å; F786-M790 VanDerWaalsContact CE1-CG 3.48Å; F786-M790 HydrophobicContact CE1-SD 3.89Å; F786-M790 HydrophobicContact CE2-SD 4.5Å; F786-M790 HydrophobicContact CZ-CG 3.9Å; F786-M790 HydrophobicContact CZ-SD 3.72Å; F786-M790 WeakPolarHBondContact O-CG 3.37Å; F786-M790 PolarHBondContact O-N 2.94Å; S787-M790 WeakPolarHBondContact O-CB 3.47Å; S787-M790 PolarHBondContact O-N 3.43Å; S787-M790 VanDerWaalsContact O-N 3.07Å; M790-K792 PolarHBondContact O-N 3.32Å; M790-F793 PolarHBondContact O-N 3.47Å; M790-R826 HydrophobicContact CE-CB 3.89Å; M790-L827 HydrophobicContact CB-CD2 4.09Å; M790-L827 HydrophobicContact CE-CD2 3.58Å; M790-L827 HydrophobicContact CE-CG 4.03Å; M790-L827 WeakPolarHBondContact O-CD2 3.47Å; M790-E831 HydrophobicContact CB-CG 4.22Å |
| 791 | L | 89 | Confident | 87.1 | Confident | 73 Ų | 73 | 43 Ų | 43 | 38% | 0.382 | 22% | 0.221 | S | C | . | . | G | 310 helix | trans | -53 | -26.6 | 177.1 | -70.9 | -177.7 | 0 | 0 | 0 | 113.9 | S787 F789 F793 V794 L833 | S787-L791 WeakPolarHBondContact O-CG 3.49Å; S787-L791 PolarHBondContact O-N 2.66Å; F789-L791 VanDerWaalsContact C-N 3.3Å; F789-L791 PolarHBondContact O-N 2.92Å; L791-F793 VanDerWaalsContact C-N 3.27Å; L791-F793 PolarHBondContact O-N 2.91Å; L791-V794 VanDerWaalsContact O-CB 3.26Å; L791-V794 WeakPolarHBondContact O-CB 3.24Å; L791-V794 WeakPolarHBondContact O-CG2 3.41Å; L791-V794 PolarHBondContact O-N 3.23Å; L791-V794 VanDerWaalsContact O-N 3.15Å; L791-L833 HydrophobicContact CD2-CD1 3.42Å; L791-L833 VanDerWaalsContact CD2-CD1 3.42Å |
| 792 | K | 88 | Confident | 88.2 | Confident | 60 Ų | 60 | 37.4 Ų | 37.4 | 26% | 0.261 | 20% | 0.195 | S | C | . | . | G | 310 helix | trans | -66.2 | -28.6 | 180 | -59.5 | 175.7 | 179 | 179.9 | 0 | 112.9 | E531 P534 F789 M790 V794 | E531-K792 IonicContact OE1-NZ 2.68Å; E531-K792 PolarHBondContact OE1-NZ 3.11Å; E531-K792 WeakPolarHBondContact OE2-CE 3.42Å; E531-K792 IonicContact OE2-NZ 3.14Å; E531-K792 PolarHBondContact OE2-NZ 3.41Å; P534-K792 HydrophobicContact CB-CB 3.82Å; P534-K792 HydrophobicContact CG-CB 3.98Å; P534-K792 HydrophobicContact CG-CD 4.43Å; F789-K792 HydrophobicContact CD2-CD 4.46Å; F789-K792 WeakPolarHBondContact O-CB 3.42Å; F789-K792 WeakPolarHBondContact O-CG 3.26Å; F789-K792 PolarHBondContact O-N 3.14Å; M790-K792 PolarHBondContact O-N 3.32Å; K792-V794 PolarHBondContact O-N 2.86Å |
| 793 | F | 91.5 | Very high | 89 | Confident | 1 Ų | 1 | 35.5 Ų | 35.5 | 0% | 0.004 | 18% | 0.183 | C | C | . | . | G | 310 helix | trans | -79.2 | -4.6 | 177.4 | -64.5 | -84.5 | 0 | 0 | 0 | 113.6 | F533 P534 L537 I561 F789 M790 L791 H795 V798 Y802 L827 | F533-F793 HydrophobicContact CB-CE1 4.21Å; F533-F793 HydrophobicContact CB-CZ 4.34Å; P534-F793 HydrophobicContact CB-CE1 4.47Å; P534-F793 HydrophobicContact CG-CD2 4.45Å; P534-F793 HydrophobicContact CG-CE1 3.94Å; P534-F793 HydrophobicContact CG-CE2 3.87Å; P534-F793 HydrophobicContact CG-CZ 3.59Å; L537-F793 HydrophobicContact CD1-CD1 4.07Å; L537-F793 HydrophobicContact CD1-CE1 4Å; I561-F793 HydrophobicContact CD1-CD1 4.43Å; I561-F793 HydrophobicContact CD1-CD2 4.02Å; I561-F793 HydrophobicContact CD1-CE1 4.09Å; I561-F793 HydrophobicContact CD1-CE2 3.64Å; I561-F793 HydrophobicContact CD1-CG 4.39Å; I561-F793 HydrophobicContact CD1-CZ 3.66Å; I561-F793 HydrophobicContact CG1-CE2 3.94Å; I561-F793 HydrophobicContact CG1-CZ 4.08Å; F789-F793 HydrophobicContact CE1-CE2 4.09Å; F789-F793 HydrophobicContact CE2-CE2 4.01Å; F789-F793 AromaticContact CZ-CE2 3.69Å; F789-F793 HydrophobicContact CZ-CE2 3.69Å; F789-F793 HydrophobicContact CZ-CZ 4.13Å; M790-F793 PolarHBondContact O-N 3.47Å; L791-F793 VanDerWaalsContact C-N 3.27Å; L791-F793 PolarHBondContact O-N 2.91Å; F793-H795 VanDerWaalsContact C-N 3.35Å; F793-V798 HydrophobicContact CB-CG1 4.43Å; F793-V798 HydrophobicContact CD1-CG1 4.37Å; F793-V798 WeakPolarHBondContact O-CG1 3.37Å; F793-Y802 WeakPolarHBondContact CD1-OH 3.19Å; F793-L827 HydrophobicContact CB-CD1 4Å |
| 794 | V | 87.1 | Confident | 89.7 | Confident | 0 Ų | 0 | 33.1 Ų | 33.1 | 0% | 0 | 17% | 0.168 | C | C | . | . | G | 310 helix | trans | -83.7 | -12.1 | -179.5 | -173.2 | 0 | 0 | 0 | 0 | 112.3 | L791 K792 L827 L833 C836 P895 | L791-V794 VanDerWaalsContact O-CB 3.26Å; L791-V794 WeakPolarHBondContact O-CB 3.24Å; L791-V794 WeakPolarHBondContact O-CG2 3.41Å; L791-V794 PolarHBondContact O-N 3.23Å; L791-V794 VanDerWaalsContact O-N 3.15Å; K792-V794 PolarHBondContact O-N 2.86Å; V794-L827 HydrophobicContact CG2-CD1 4.19Å; V794-L827 HydrophobicContact CG2-CD2 3.7Å; V794-L827 HydrophobicContact CG2-CG 4.41Å; V794-L833 HydrophobicContact CG1-CD1 4.27Å; V794-L833 HydrophobicContact CG2-CD1 3.82Å; V794-C836 HydrophobicContact CG1-CB 3.9Å; V794-C836 WeakPolarHBondContact CG1-SG 3.49Å; V794-P895 HydrophobicContact CB-CG 4.07Å; V794-P895 HydrophobicContact CG1-CB 4.42Å; V794-P895 HydrophobicContact CG1-CG 3.79Å |
| 795 | H | 89.2 | Confident | 90.2 | Very high | 68 Ų | 68 | 32.5 Ų | 32.5 | 32% | 0.315 | 17% | 0.165 | S | C | . | . | S | Bend | trans | -55.4 | 134.3 | -177.7 | 177.7 | -88.4 | 0 | 0 | 0 | 112.4 | F793 R797 V798 V799 | F793-H795 VanDerWaalsContact C-N 3.35Å; H795-R797 VanDerWaalsContact C-N 3.3Å; H795-R797 PolarHBondContact ND1-N 3.11Å; H795-R797 PolarHBondContact O-N 3.42Å; H795-V798 HydrophobicContact CB-CG2 4.16Å; H795-V798 WeakPolarHBondContact O-CA 3.24Å; H795-V798 WeakPolarHBondContact O-CB 3.39Å; H795-V798 PolarHBondContact O-N 2.94Å; H795-V799 PolarHBondContact O-N 3.43Å |
| 796 | P | 89.1 | Confident | 90.6 | Very high | 30 Ų | 30 | 29 Ų | 29 | 20% | 0.195 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -39.3 | -45.4 | -177 | -40.8 | 39.8 | 0 | 0 | 0 | 117.5 | V798 V799 H800 F892 | P796-V798 VanDerWaalsContact C-N 3.34Å; P796-V798 PolarHBondContact O-N 2.98Å; P796-V799 PolarHBondContact O-N 3.04Å; P796-H800 WeakPolarHBondContact O-CB 3.36Å; P796-H800 PolarHBondContact O-N 2.92Å; P796-F892 HydrophobicContact CB-CB 3.63Å; P796-F892 HydrophobicContact CB-CD1 4.25Å; P796-F892 HydrophobicContact CB-CG 4.04Å; P796-F892 HydrophobicContact CG-CB 3.91Å |
| 797 | R | 91.4 | Very high | 90.8 | Very high | 148 Ų | 148 | 30.4 Ų | 30.4 | 56% | 0.558 | 15% | 0.153 | S | C | * | . | H | α-helix | trans | -68.9 | -28.9 | 179.3 | -66.2 | -177.4 | -172.6 | 167.6 | 4.5 | 113.9 | R538 H795 H800 A801 | R538-R797 WeakPolarHBondContact O-CD 3.25Å; H795-R797 VanDerWaalsContact C-N 3.3Å; H795-R797 PolarHBondContact ND1-N 3.11Å; H795-R797 PolarHBondContact O-N 3.42Å; R797-H800 PolarHBondContact O-N 2.92Å; R797-A801 WeakPolarHBondContact O-CB 3.45Å; R797-A801 PolarHBondContact O-N 3.43Å |
| 798 | V | 92.9 | Very high | 90.8 | Very high | 0 Ų | 0 | 29.9 Ų | 29.9 | 0% | 0 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -74.5 | -41.9 | 176.9 | -175.6 | 0 | 0 | 0 | 0 | 109.9 | L537 R538 F793 H795 P796 H800 A801 Y802 | L537-V798 HydrophobicContact CB-CB 4.4Å; L537-V798 HydrophobicContact CB-CG1 3.97Å; L537-V798 HydrophobicContact CB-CG2 3.88Å; L537-V798 HydrophobicContact CD1-CG1 4.08Å; R538-V798 HydrophobicContact CB-CG2 4.35Å; F793-V798 HydrophobicContact CB-CG1 4.43Å; F793-V798 HydrophobicContact CD1-CG1 4.37Å; F793-V798 WeakPolarHBondContact O-CG1 3.37Å; H795-V798 HydrophobicContact CB-CG2 4.16Å; H795-V798 WeakPolarHBondContact O-CA 3.24Å; H795-V798 WeakPolarHBondContact O-CB 3.39Å; H795-V798 PolarHBondContact O-N 2.94Å; P796-V798 VanDerWaalsContact C-N 3.34Å; P796-V798 PolarHBondContact O-N 2.98Å; V798-H800 VanDerWaalsContact C-N 3.3Å; V798-H800 PolarHBondContact O-N 3.19Å; V798-A801 WeakPolarHBondContact O-CB 3.41Å; V798-A801 PolarHBondContact O-N 3.2Å; V798-Y802 HydrophobicContact CG1-CD2 4.29Å; V798-Y802 HydrophobicContact CG1-CE2 3.61Å; V798-Y802 VanDerWaalsContact O-CD2 3.28Å; V798-Y802 WeakPolarHBondContact O-CD2 3.19Å; V798-Y802 PolarHBondContact O-N 3.06Å |
| 799 | V | 92.6 | Very high | 91 | Very high | 4 Ų | 4 | 28.1 Ų | 28.1 | 2% | 0.024 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -61.6 | -39.4 | 170.1 | -176.6 | 0 | 0 | 0 | 0 | 111.1 | H795 P796 Y802 T803 F837 | H795-V799 PolarHBondContact O-N 3.43Å; P796-V799 PolarHBondContact O-N 3.04Å; V799-Y802 PolarHBondContact O-N 3.29Å; V799-T803 WeakPolarHBondContact O-CB 3.38Å; V799-T803 PolarHBondContact O-N 3.2Å; V799-T803 PolarHBondContact O-OG1 3.42Å; V799-F837 HydrophobicContact CG1-CD1 4.04Å; V799-F837 HydrophobicContact CG1-CE1 4.15Å; V799-F837 HydrophobicContact CG2-CE1 4.25Å |
| 800 | H | 92.3 | Very high | 90.7 | Very high | 52 Ų | 52 | 28.9 Ų | 28.9 | 24% | 0.241 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -62.8 | -42.7 | 173 | -174.6 | 7.9 | 0 | 0 | 0 | 112.3 | P796 R797 V798 T803 L804 R841 F892 | P796-H800 WeakPolarHBondContact O-CB 3.36Å; P796-H800 PolarHBondContact O-N 2.92Å; R797-H800 PolarHBondContact O-N 2.92Å; V798-H800 VanDerWaalsContact C-N 3.3Å; V798-H800 PolarHBondContact O-N 3.19Å; H800-T803 WeakPolarHBondContact O-CB 3.46Å; H800-T803 PolarHBondContact O-N 2.88Å; H800-L804 VanDerWaalsContact CE1-CG 3.48Å; H800-L804 WeakPolarHBondContact CE1-CG 3.32Å; H800-L804 WeakPolarHBondContact O-CG 3.36Å; H800-L804 PolarHBondContact O-N 3.24Å; H800-R841 PolarHBondContact CE1-NH1 3.13Å; H800-F892 HydrophobicContact CB-CE1 3.91Å; H800-F892 HydrophobicContact CB-CZ 4.04Å |
| 801 | A | 93.7 | Very high | 90.3 | Very high | 2 Ų | 2 | 32.4 Ų | 32.4 | 2% | 0.017 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -59.1 | -47.3 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | L537 L550 R797 V798 T803 L804 L805 | L537-A801 HydrophobicContact CD2-CB 4.38Å; L550-A801 HydrophobicContact CD1-CB 4.03Å; R797-A801 WeakPolarHBondContact O-CB 3.45Å; R797-A801 PolarHBondContact O-N 3.43Å; V798-A801 WeakPolarHBondContact O-CB 3.41Å; V798-A801 PolarHBondContact O-N 3.2Å; A801-T803 VanDerWaalsContact C-N 3.3Å; A801-T803 PolarHBondContact O-N 3.27Å; A801-L804 PolarHBondContact O-N 3.03Å; A801-L805 PolarHBondContact O-N 2.97Å |
| 802 | Y | 94.9 | Very high | 90.1 | Very high | 1 Ų | 1 | 29.7 Ų | 29.7 | 0% | 0.004 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -60.7 | -39.6 | 173.2 | -62.6 | -45.8 | 0 | 0 | 0 | 112 | V554 F793 V798 V799 L804 L805 L806 I820 T823 I824 | V554-Y802 HydrophobicContact CG1-CD1 4.28Å; V554-Y802 HydrophobicContact CG1-CE1 4.1Å; V554-Y802 HydrophobicContact CG2-CD1 3.91Å; V554-Y802 HydrophobicContact CG2-CE1 3.79Å; F793-Y802 WeakPolarHBondContact CD1-OH 3.19Å; V798-Y802 HydrophobicContact CG1-CD2 4.29Å; V798-Y802 HydrophobicContact CG1-CE2 3.61Å; V798-Y802 VanDerWaalsContact O-CD2 3.28Å; V798-Y802 WeakPolarHBondContact O-CD2 3.19Å; V798-Y802 PolarHBondContact O-N 3.06Å; V799-Y802 PolarHBondContact O-N 3.29Å; Y802-L804 VanDerWaalsContact C-N 3.34Å; Y802-L804 PolarHBondContact O-N 3.43Å; Y802-L805 PolarHBondContact O-N 2.97Å; Y802-L806 WeakPolarHBondContact O-CB 3.43Å; Y802-L806 WeakPolarHBondContact O-CG 3.4Å; Y802-L806 PolarHBondContact O-N 3.05Å; Y802-I820 HydrophobicContact CD1-CG1 4.22Å; Y802-I820 HydrophobicContact CD1-CG2 4.28Å; Y802-I820 HydrophobicContact CG-CG2 4.31Å; Y802-T823 WeakPolarHBondContact OH-CG2 3.31Å; Y802-I824 HydrophobicContact CD2-CG1 4.39Å |
| 803 | T | 94 | Very high | 90 | Very high | 4 Ų | 4 | 29.8 Ų | 29.8 | 3% | 0.025 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -63.7 | -37.1 | 176.5 | -53.3 | 0 | 0 | 0 | 0 | 112.1 | V799 H800 A801 L806 E807 R841 L842 V845 | V799-T803 WeakPolarHBondContact O-CB 3.38Å; V799-T803 PolarHBondContact O-N 3.2Å; V799-T803 PolarHBondContact O-OG1 3.42Å; H800-T803 WeakPolarHBondContact O-CB 3.46Å; H800-T803 PolarHBondContact O-N 2.88Å; A801-T803 VanDerWaalsContact C-N 3.3Å; A801-T803 PolarHBondContact O-N 3.27Å; T803-L806 PolarHBondContact O-N 3.23Å; T803-E807 PolarHBondContact O-N 2.77Å; T803-R841 HydrophobicContact CG2-CB 4.5Å; T803-R841 HydrophobicContact CG2-CG 4.07Å; T803-L842 HydrophobicContact CG2-CB 4.13Å; T803-L842 HydrophobicContact CG2-CD1 4.07Å; T803-V845 HydrophobicContact CG2-CG2 4.43Å |
| 804 | L | 92.6 | Very high | 89.7 | Confident | 22 Ų | 22 | 33.7 Ų | 33.7 | 12% | 0.115 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -66.6 | -39.6 | 178.3 | -79.5 | 169.1 | 0 | 0 | 0 | 112.8 | Y540 L550 H800 A801 Y802 | Y540-L804 HydrophobicContact CE1-CD1 4.22Å; L550-L804 HydrophobicContact CD2-CB 4.44Å; H800-L804 VanDerWaalsContact CE1-CG 3.48Å; H800-L804 WeakPolarHBondContact CE1-CG 3.32Å; H800-L804 WeakPolarHBondContact O-CG 3.36Å; H800-L804 PolarHBondContact O-N 3.24Å; A801-L804 PolarHBondContact O-N 3.03Å; Y802-L804 VanDerWaalsContact C-N 3.34Å; Y802-L804 PolarHBondContact O-N 3.43Å |
| 805 | L | 92.8 | Very high | 89.9 | Confident | 3 Ų | 3 | 36.6 Ų | 36.6 | 2% | 0.016 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -71.1 | -42.5 | 173.6 | -71.2 | -176.6 | 0 | 0 | 0 | 111.4 | L550 R551 V554 A801 Y802 E807 D808 N812 V816 I820 | L550-L805 HydrophobicContact CB-CD2 4.27Å; L550-L805 HydrophobicContact CD2-CD1 4.43Å; L550-L805 HydrophobicContact CD2-CD2 3.95Å; L550-L805 HydrophobicContact CD2-CG 3.8Å; L550-L805 HydrophobicContact CG-CD1 4.05Å; L550-L805 HydrophobicContact CG-CD2 4.14Å; L550-L805 HydrophobicContact CG-CG 3.96Å; R551-L805 HydrophobicContact CG-CD1 4.41Å; R551-L805 HydrophobicContact CG-CD2 3.95Å; V554-L805 HydrophobicContact CB-CD1 4.05Å; V554-L805 HydrophobicContact CG1-CD1 4.36Å; V554-L805 HydrophobicContact CG2-CD1 3.78Å; A801-L805 PolarHBondContact O-N 2.97Å; Y802-L805 PolarHBondContact O-N 2.97Å; L805-E807 PolarHBondContact O-N 2.91Å; L805-D808 CarbonylContact O-C 3.6Å; L805-D808 PolarHBondContact O-N 3.44Å; L805-D808 VanDerWaalsContact O-N 3.1Å; L805-N812 PolarHBondContact O-ND2 2.88Å; L805-V816 HydrophobicContact CD1-CG1 3.81Å; L805-I820 HydrophobicContact CB-CD1 3.59Å; L805-I820 HydrophobicContact CD1-CD1 4.07Å |
| 806 | L | 93.2 | Very high | 90.1 | Very high | 4 Ų | 4 | 33.4 Ų | 33.4 | 2% | 0.021 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -62.7 | -20.6 | 177.2 | -75 | 172.3 | 0 | 0 | 0 | 113.4 | Y802 T803 D808 Y809 I820 I824 L842 V845 L864 | Y802-L806 WeakPolarHBondContact O-CB 3.43Å; Y802-L806 WeakPolarHBondContact O-CG 3.4Å; Y802-L806 PolarHBondContact O-N 3.05Å; T803-L806 PolarHBondContact O-N 3.23Å; L806-D808 PolarHBondContact O-N 3.31Å; L806-Y809 WeakPolarHBondContact O-CB 3.42Å; L806-Y809 WeakPolarHBondContact O-CD1 3.44Å; L806-Y809 PolarHBondContact O-N 3.16Å; L806-I820 HydrophobicContact CD1-CG2 3.73Å; L806-I820 HydrophobicContact CD2-CD1 4.27Å; L806-I820 HydrophobicContact CD2-CG2 4.11Å; L806-I820 HydrophobicContact CG-CD1 4.15Å; L806-I820 HydrophobicContact CG-CG2 3.84Å; L806-I824 HydrophobicContact CD1-CD1 4.08Å; L806-L842 HydrophobicContact CD1-CD1 4.02Å; L806-V845 HydrophobicContact CB-CG1 4Å; L806-V845 WeakPolarHBondContact O-CG1 3.43Å; L806-L864 HydrophobicContact CD2-CD1 4.17Å |
| 807 | E | 91.4 | Very high | 90.3 | Very high | 70 Ų | 70 | 32.6 Ų | 32.6 | 33% | 0.327 | 17% | 0.165 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -60.8 | -30 | 174.3 | -156.8 | 164.9 | 129.2 | 0 | 0 | 111.9 | T803 L805 R841 V845 K848 | T803-E807 PolarHBondContact O-N 2.77Å; L805-E807 PolarHBondContact O-N 2.91Å; E807-R841 IonicContact OE1-NH2 3.47Å; E807-R841 PolarHBondContact OE1-NH2 2.71Å; E807-R841 IonicContact OE2-CZ 3.73Å; E807-R841 VanDerWaalsContact OE2-CZ 3.24Å; E807-R841 IonicContact OE2-NE 3.93Å; E807-R841 PolarHBondContact OE2-NE 3.5Å; E807-R841 IonicContact OE2-NH2 3.45Å; E807-R841 PolarHBondContact OE2-NH2 2.95Å; E807-V845 HydrophobicContact CB-CG2 4.2Å; E807-V845 HydrophobicContact CG-CG2 4.19Å; E807-K848 PolarHBondContact O-NZ 2.76Å |
| 808 | D | 86.4 | Confident | 90.5 | Very high | 41 Ų | 41 | 31 Ų | 31 | 22% | 0.219 | 16% | 0.159 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -112.2 | 35.1 | 177 | -56.7 | -41 | 0 | 0 | 0 | 112.7 | K547 L805 L806 D810 N811 N812 | K547-D808 IonicContact NZ-OD2 2.76Å; K547-D808 PolarHBondContact NZ-OD2 3.08Å; L805-D808 CarbonylContact O-C 3.6Å; L805-D808 PolarHBondContact O-N 3.44Å; L805-D808 VanDerWaalsContact O-N 3.1Å; L806-D808 PolarHBondContact O-N 3.31Å; D808-D810 PolarHBondContact O-N 3.12Å; D808-N811 PolarHBondContact O-N 3.2Å; D808-N812 PolarHBondContact O-N 3.23Å; D808-N812 PolarHBondContact O-ND2 3.12Å |
| 809 | Y | 89.3 | Confident | 90.6 | Very high | 2 Ų | 2 | 31 Ų | 31 | 1% | 0.008 | 16% | 0.159 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -48.5 | -28.3 | -178.3 | 66.4 | -93.4 | 0 | 0 | 0 | 114.4 | L806 N817 K848 F849 L855 F861 | L806-Y809 WeakPolarHBondContact O-CB 3.42Å; L806-Y809 WeakPolarHBondContact O-CD1 3.44Å; L806-Y809 PolarHBondContact O-N 3.16Å; Y809-N817 PolarHBondContact O-ND2 3.35Å; Y809-K848 HydrophobicContact CE1-CD 4.04Å; Y809-K848 HydrophobicContact CE1-CG 4.18Å; Y809-F849 AromaticContact CD2-CD2 3.9Å; Y809-F849 HydrophobicContact CD2-CD2 3.9Å; Y809-F849 HydrophobicContact CD2-CE2 4.38Å; Y809-F849 HydrophobicContact CE1-CB 4.16Å; Y809-F849 HydrophobicContact CE1-CD2 4.34Å; Y809-F849 AromaticContact CE2-CD2 3.62Å; Y809-F849 HydrophobicContact CE2-CD2 3.62Å; Y809-F849 HydrophobicContact CE2-CE2 4.25Å; Y809-F849 HydrophobicContact CG-CD2 4.39Å; Y809-F849 AromaticContact CZ-CD2 3.88Å; Y809-L855 HydrophobicContact CE2-CD1 3.65Å; Y809-F861 HydrophobicContact CD2-CD1 4.43Å; Y809-F861 AromaticContact CD2-CE1 3.89Å; Y809-F861 HydrophobicContact CD2-CE1 3.89Å; Y809-F861 HydrophobicContact CD2-CZ 4.17Å; Y809-F861 WeakPolarHBondContact O-CE1 3.34Å; Y809-F861 WeakPolarHBondContact O-CZ 3.24Å |
| 810 | D | 83.2 | Confident | 90.8 | Very high | 21 Ų | 21 | 30.9 Ų | 30.9 | 11% | 0.112 | 16% | 0.158 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -80.1 | -21.4 | -179.3 | 57.8 | -61 | 0 | 0 | 0 | 114.8 | R263 D808 K848 L855 | R263-D810 IonicContact CZ-OD2 2.86Å; R263-D810 VanDerWaalsContact NH1-CG 3.29Å; R263-D810 IonicContact NH1-OD1 2.67Å; R263-D810 IonicContact NH1-OD2 3.12Å; R263-D810 PolarHBondContact NH1-OD2 3.09Å; R263-D810 IonicContact NH2-OD2 2.85Å; D808-D810 PolarHBondContact O-N 3.12Å; D810-K848 IonicContact OD1-NZ 2.7Å; D810-L855 HydrophobicContact CB-CD1 4.25Å |
| 811 | N | 81.3 | Confident | 90.9 | Very high | 74 Ų | 74 | 28.9 Ų | 28.9 | 40% | 0.396 | 15% | 0.15 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -109.8 | 0.1 | -179.2 | -64.1 | -79.1 | 0 | 0 | 0 | 113.2 | R551 D808 | R551-N811 PolarHBondContact NH2-O 3.44Å; D808-N811 PolarHBondContact O-N 3.2Å |
| 812 | N | 85.9 | Confident | 90.9 | Very high | 16 Ų | 16 | 32 Ų | 32 | 9% | 0.086 | 16% | 0.164 | C | C | . | . | S | Bend | trans | -85.7 | 150.3 | 175.7 | -72.8 | -31.6 | 0 | 0 | 0 | 111.7 | R551 L805 D808 V816 N817 | R551-N812 PolarHBondContact NE-OD1 3.09Å; R551-N812 VanDerWaalsContact NE-OD1 3.09Å; R551-N812 PolarHBondContact NH2-OD1 3.31Å; L805-N812 PolarHBondContact O-ND2 2.88Å; D808-N812 PolarHBondContact O-N 3.23Å; D808-N812 PolarHBondContact O-ND2 3.12Å; N812-V816 HydrophobicContact CB-CB 4.32Å; N812-V816 HydrophobicContact CB-CG1 4.33Å; N812-N817 WeakPolarHBondContact CB-OD1 3.3Å |
| 813 | P | 84.6 | Confident | 90.9 | Very high | 62 Ų | 62 | 31.9 Ų | 31.9 | 40% | 0.403 | 16% | 0.163 | S | C | . | . | trans | -54.1 | 146.3 | 164.2 | -23.7 | 33.4 | 0 | 0 | 0 | 112.1 | S815 V816 N817 | P813-S815 WeakPolarHBondContact CB-OG 3.22Å; P813-S815 PolarHBondContact O-N 2.9Å; P813-V816 HydrophobicContact CB-CG2 4.08Å; P813-V816 HydrophobicContact CG-CG2 4.03Å; P813-V816 WeakPolarHBondContact O-CB 3.37Å; P813-V816 PolarHBondContact O-N 3.02Å; P813-V816 VanDerWaalsContact O-N 3.11Å; P813-N817 PolarHBondContact O-N 3.26Å | ||
| 814 | E | 87 | Confident | 90.9 | Very high | 83 Ų | 83 | 32 Ų | 32 | 39% | 0.388 | 16% | 0.164 | S | C | . | . | H | α-helix | trans | -56.4 | -37.5 | 177.7 | -165.1 | -164.4 | 165.4 | 0 | 0 | 111.8 | N817 R818 E860 | E814-N817 PolarHBondContact O-N 2.96Å; E814-R818 WeakPolarHBondContact O-CB 3.33Å; E814-R818 PolarHBondContact O-N 3.34Å; E814-R818 IonicContact OE1-CZ 3.29Å; E814-R818 IonicContact OE1-NH2 2.74Å; E814-R818 PolarHBondContact OE1-NH2 3.16Å; E814-R818 IonicContact OE2-NH2 3.52Å; E814-E860 HydrophobicContact CG-CG 4.32Å |
| 815 | S | 90.5 | Very high | 91 | Very high | 62 Ų | 62 | 34.8 Ų | 34.8 | 43% | 0.434 | 18% | 0.176 | S | C | . | . | H | α-helix | trans | -58.6 | -45.9 | 175.5 | 48.1 | 0 | 0 | 0 | 0 | 112.8 | E555 P813 R818 A819 | E555-S815 WeakPolarHBondContact OE1-CB 3.45Å; E555-S815 PolarHBondContact OE1-OG 3.12Å; P813-S815 WeakPolarHBondContact CB-OG 3.22Å; P813-S815 PolarHBondContact O-N 2.9Å; S815-R818 PolarHBondContact O-N 3.05Å; S815-A819 WeakPolarHBondContact O-CB 3.36Å; S815-A819 PolarHBondContact O-N 3.38Å |
| 816 | V | 93.5 | Very high | 91 | Very high | 1 Ų | 1 | 36 Ų | 36 | 1% | 0.006 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -61.5 | -49.7 | 175.8 | 177 | 0 | 0 | 0 | 0 | 110.5 | R551 E555 L805 N812 P813 R818 A819 I820 | R551-V816 HydrophobicContact CB-CG2 3.8Å; R551-V816 HydrophobicContact CG-CG1 4.14Å; R551-V816 HydrophobicContact CG-CG2 3.88Å; E555-V816 HydrophobicContact CG-CG2 3.94Å; E555-V816 VanDerWaalsContact OE1-CG2 3.29Å; E555-V816 WeakPolarHBondContact OE1-CG2 3.42Å; E555-V816 PolarHBondContact OE1-N 3.01Å; L805-V816 HydrophobicContact CD1-CG1 3.81Å; N812-V816 HydrophobicContact CB-CB 4.32Å; N812-V816 HydrophobicContact CB-CG1 4.33Å; P813-V816 HydrophobicContact CB-CG2 4.08Å; P813-V816 HydrophobicContact CG-CG2 4.03Å; P813-V816 WeakPolarHBondContact O-CB 3.37Å; P813-V816 PolarHBondContact O-N 3.02Å; P813-V816 VanDerWaalsContact O-N 3.11Å; V816-R818 PolarHBondContact O-N 3.16Å; V816-A819 WeakPolarHBondContact O-CB 3.32Å; V816-A819 PolarHBondContact O-N 3.11Å; V816-I820 HydrophobicContact CG1-CD1 4.06Å; V816-I820 WeakPolarHBondContact O-CG1 3.32Å; V816-I820 PolarHBondContact O-N 3.35Å |
| 817 | N | 93.7 | Very high | 90.9 | Very high | 12 Ų | 12 | 35.8 Ų | 35.8 | 6% | 0.064 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -61.2 | -45.1 | -179.5 | -72.6 | -29.7 | 0 | 0 | 0 | 111.3 | Y809 N812 P813 E814 I820 V821 | Y809-N817 PolarHBondContact O-ND2 3.35Å; N812-N817 WeakPolarHBondContact CB-OD1 3.3Å; P813-N817 PolarHBondContact O-N 3.26Å; E814-N817 PolarHBondContact O-N 2.96Å; N817-I820 PolarHBondContact O-N 3.41Å; N817-V821 WeakPolarHBondContact O-CB 3.48Å; N817-V821 VanDerWaalsContact O-CG2 3.3Å; N817-V821 WeakPolarHBondContact O-CG2 3.25Å; N817-V821 PolarHBondContact O-N 3.32Å |
| 818 | R | 94.2 | Very high | 90.9 | Very high | 115 Ų | 115 | 32.5 Ų | 32.5 | 43% | 0.434 | 16% | 0.164 | S | C | . | . | H | α-helix | trans | -64.4 | -40.3 | 177 | -162.6 | -174.5 | -60.8 | 168.9 | -0.6 | 111.8 | E814 S815 V816 I820 V821 H822 | E814-R818 WeakPolarHBondContact O-CB 3.33Å; E814-R818 PolarHBondContact O-N 3.34Å; E814-R818 IonicContact OE1-CZ 3.29Å; E814-R818 IonicContact OE1-NH2 2.74Å; E814-R818 PolarHBondContact OE1-NH2 3.16Å; E814-R818 IonicContact OE2-NH2 3.52Å; S815-R818 PolarHBondContact O-N 3.05Å; V816-R818 PolarHBondContact O-N 3.16Å; R818-I820 PolarHBondContact O-N 3.17Å; R818-V821 PolarHBondContact O-N 2.81Å; R818-H822 WeakPolarHBondContact O-CB 3.41Å; R818-H822 PolarHBondContact O-CD2 3.44Å; R818-H822 PolarHBondContact O-N 2.99Å |
| 819 | A | 95.8 | Very high | 91.1 | Very high | 1 Ų | 1 | 32.5 Ų | 32.5 | 1% | 0.008 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -60.2 | -43.1 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | V554 H558 S815 V816 T823 | V554-A819 HydrophobicContact CG1-CB 4.2Å; H558-A819 HydrophobicContact CB-CB 3.58Å; S815-A819 WeakPolarHBondContact O-CB 3.36Å; S815-A819 PolarHBondContact O-N 3.38Å; V816-A819 WeakPolarHBondContact O-CB 3.32Å; V816-A819 PolarHBondContact O-N 3.11Å; A819-T823 VanDerWaalsContact O-CB 3.26Å; A819-T823 WeakPolarHBondContact O-CB 3.16Å; A819-T823 PolarHBondContact O-N 3.45Å; A819-T823 VanDerWaalsContact O-N 3.1Å; A819-T823 PolarHBondContact O-OG1 2.8Å |
| 820 | I | 95.8 | Very high | 90.9 | Very high | 0 Ų | 0 | 38.9 Ų | 38.9 | 0% | 0 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -64.9 | -51.9 | 174.6 | -60 | 163.3 | 0 | 0 | 0 | 110.4 | V554 Y802 L805 L806 V816 N817 R818 H822 T823 I824 | V554-I820 HydrophobicContact CG1-CD1 4.47Å; V554-I820 HydrophobicContact CG1-CG1 3.57Å; Y802-I820 HydrophobicContact CD1-CG1 4.22Å; Y802-I820 HydrophobicContact CD1-CG2 4.28Å; Y802-I820 HydrophobicContact CG-CG2 4.31Å; L805-I820 HydrophobicContact CB-CD1 3.59Å; L805-I820 HydrophobicContact CD1-CD1 4.07Å; L806-I820 HydrophobicContact CD1-CG2 3.73Å; L806-I820 HydrophobicContact CD2-CD1 4.27Å; L806-I820 HydrophobicContact CD2-CG2 4.11Å; L806-I820 HydrophobicContact CG-CD1 4.15Å; L806-I820 HydrophobicContact CG-CG2 3.84Å; V816-I820 HydrophobicContact CG1-CD1 4.06Å; V816-I820 WeakPolarHBondContact O-CG1 3.32Å; V816-I820 PolarHBondContact O-N 3.35Å; N817-I820 PolarHBondContact O-N 3.41Å; R818-I820 PolarHBondContact O-N 3.17Å; I820-H822 PolarHBondContact O-N 3.23Å; I820-T823 PolarHBondContact O-N 3.23Å; I820-T823 VanDerWaalsContact O-N 3.15Å; I820-I824 HydrophobicContact CG2-CD1 3.59Å; I820-I824 HydrophobicContact CG2-CG1 4.13Å; I820-I824 WeakPolarHBondContact O-CG1 3.2Å; I820-I824 PolarHBondContact O-N 3.21Å |
| 821 | V | 95.2 | Very high | 91 | Very high | 11 Ų | 11 | 40.4 Ų | 40.4 | 7% | 0.067 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -57.8 | -48.3 | -177.9 | 168.2 | 0 | 0 | 0 | 0 | 111.3 | N817 R818 T823 H825 E863 L864 L867 | N817-V821 WeakPolarHBondContact O-CB 3.48Å; N817-V821 VanDerWaalsContact O-CG2 3.3Å; N817-V821 WeakPolarHBondContact O-CG2 3.25Å; N817-V821 PolarHBondContact O-N 3.32Å; R818-V821 PolarHBondContact O-N 2.81Å; V821-T823 VanDerWaalsContact C-N 3.35Å; V821-T823 PolarHBondContact O-N 3.26Å; V821-H825 WeakPolarHBondContact O-CB 3.47Å; V821-H825 PolarHBondContact O-N 3.1Å; V821-E863 HydrophobicContact CG1-CB 3.91Å; V821-L864 HydrophobicContact CG2-CB 3.86Å; V821-L864 HydrophobicContact CG2-CD1 3.79Å; V821-L864 HydrophobicContact CG2-CG 4.38Å; V821-L867 HydrophobicContact CB-CD2 4.31Å; V821-L867 HydrophobicContact CG1-CB 4.5Å; V821-L867 HydrophobicContact CG1-CD2 4.03Å; V821-L867 HydrophobicContact CG2-CD2 4.37Å |
| 822 | H | 94.6 | Very high | 91.3 | Very high | 66 Ų | 66 | 46.8 Ų | 46.8 | 31% | 0.306 | 22% | 0.218 | S | C | . | . | H | α-helix | trans | -64.8 | -36.5 | 177.3 | -86.8 | -115.8 | 0 | 0 | 0 | 112.9 | H558 R818 I820 H825 R826 E863 | H558-H822 WeakPolarHBondContact CE1-CB 3.41Å; H558-H822 AromaticContact CE1-CG 3.87Å; R818-H822 WeakPolarHBondContact O-CB 3.41Å; R818-H822 PolarHBondContact O-CD2 3.44Å; R818-H822 PolarHBondContact O-N 2.99Å; I820-H822 PolarHBondContact O-N 3.23Å; H822-H825 PolarHBondContact O-N 2.92Å; H822-R826 VanDerWaalsContact O-CG 3.32Å; H822-R826 WeakPolarHBondContact O-CG 3.5Å; H822-R826 PolarHBondContact O-N 2.9Å; H822-E863 IonicContact NE2-OE2 3.12Å |
| 823 | T | 94 | Very high | 91.3 | Very high | 0 Ų | 0 | 47 Ų | 47 | 0% | 0 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -75.5 | -43 | -177.1 | -53.3 | 0 | 0 | 0 | 0 | 111 | H558 I561 Y802 A819 I820 V821 H825 R826 L827 | H558-T823 PolarHBondContact ND1-OG1 2.9Å; I561-T823 HydrophobicContact CD1-CG2 4.01Å; Y802-T823 WeakPolarHBondContact OH-CG2 3.31Å; A819-T823 VanDerWaalsContact O-CB 3.26Å; A819-T823 WeakPolarHBondContact O-CB 3.16Å; A819-T823 PolarHBondContact O-N 3.45Å; A819-T823 VanDerWaalsContact O-N 3.1Å; A819-T823 PolarHBondContact O-OG1 2.8Å; I820-T823 PolarHBondContact O-N 3.23Å; I820-T823 VanDerWaalsContact O-N 3.15Å; V821-T823 VanDerWaalsContact C-N 3.35Å; V821-T823 PolarHBondContact O-N 3.26Å; T823-H825 VanDerWaalsContact C-N 3.32Å; T823-H825 PolarHBondContact O-N 3.42Å; T823-R826 PolarHBondContact O-N 2.94Å; T823-L827 WeakPolarHBondContact O-CG 3.2Å; T823-L827 PolarHBondContact O-N 3.21Å; T823-L827 VanDerWaalsContact O-N 3.12Å |
| 824 | I | 94.7 | Very high | 91.5 | Very high | 5 Ų | 5 | 44.4 Ų | 44.4 | 3% | 0.026 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -61.9 | -40.5 | 169.4 | -63.7 | 179.7 | 0 | 0 | 0 | 110.5 | Y802 L806 I820 R826 L827 A828 F837 L867 I871 | Y802-I824 HydrophobicContact CD2-CG1 4.39Å; L806-I824 HydrophobicContact CD1-CD1 4.08Å; I820-I824 HydrophobicContact CG2-CD1 3.59Å; I820-I824 HydrophobicContact CG2-CG1 4.13Å; I820-I824 WeakPolarHBondContact O-CG1 3.2Å; I820-I824 PolarHBondContact O-N 3.21Å; I824-R826 PolarHBondContact O-N 2.67Å; I824-L827 PolarHBondContact O-N 3.01Å; I824-A828 VanDerWaalsContact O-CB 3.26Å; I824-A828 WeakPolarHBondContact O-CB 3.5Å; I824-A828 PolarHBondContact O-N 2.96Å; I824-F837 HydrophobicContact CB-CE1 4.25Å; I824-F837 HydrophobicContact CB-CZ 4.42Å; I824-F837 HydrophobicContact CD1-CD1 4.46Å; I824-F837 HydrophobicContact CD1-CE1 4.25Å; I824-F837 HydrophobicContact CG1-CD1 4.45Å; I824-F837 HydrophobicContact CG1-CE1 3.84Å; I824-F837 HydrophobicContact CG1-CZ 4.36Å; I824-F837 HydrophobicContact CG2-CD1 3.86Å; I824-F837 HydrophobicContact CG2-CD2 4.34Å; I824-F837 HydrophobicContact CG2-CE1 3.73Å; I824-F837 HydrophobicContact CG2-CE2 4.22Å; I824-F837 HydrophobicContact CG2-CG 4.17Å; I824-F837 HydrophobicContact CG2-CZ 3.92Å; I824-L867 HydrophobicContact CB-CD2 3.98Å; I824-L867 HydrophobicContact CG2-CD1 4.26Å; I824-L867 HydrophobicContact CG2-CD2 3.86Å; I824-L867 HydrophobicContact CG2-CG 4.44Å; I824-I871 HydrophobicContact CG2-CD1 4.02Å |
| 825 | H | 94.6 | Very high | 91.5 | Very high | 82 Ų | 82 | 40.4 Ų | 40.4 | 38% | 0.38 | 18% | 0.183 | S | C | . | . | H | α-helix | trans | -62.2 | -42 | 175.8 | 178.2 | -89.9 | 0 | 0 | 0 | 112.6 | V821 H822 T823 L827 V829 L867 | V821-H825 WeakPolarHBondContact O-CB 3.47Å; V821-H825 PolarHBondContact O-N 3.1Å; H822-H825 PolarHBondContact O-N 2.92Å; T823-H825 VanDerWaalsContact C-N 3.32Å; T823-H825 PolarHBondContact O-N 3.42Å; H825-L827 PolarHBondContact O-N 2.98Å; H825-V829 VanDerWaalsContact CD2-CG2 3.48Å; H825-V829 WeakPolarHBondContact CD2-CG2 3.36Å; H825-V829 VanDerWaalsContact O-CB 3.24Å; H825-V829 WeakPolarHBondContact O-CB 3.41Å; H825-V829 WeakPolarHBondContact O-CG2 3.44Å; H825-V829 PolarHBondContact O-N 3.37Å; H825-L867 HydrophobicContact CB-CD1 4.22Å |
| 826 | R | 92.3 | Very high | 91.4 | Very high | 28 Ų | 28 | 37.8 Ų | 37.8 | 11% | 0.106 | 17% | 0.165 | C | C | . | . | I | π-helix | trans | -56.7 | -50.1 | 172.8 | -73.6 | 172.7 | -170.5 | -113.2 | 7.9 | 110.3 | T562 S565 M790 H822 T823 I824 K830 E831 | T562-R826 PolarHBondContact OG1-NH2 2.99Å; S565-R826 PolarHBondContact OG-NH1 3.22Å; S565-R826 PolarHBondContact OG-NH2 3.47Å; M790-R826 HydrophobicContact CE-CB 3.89Å; H822-R826 VanDerWaalsContact O-CG 3.32Å; H822-R826 WeakPolarHBondContact O-CG 3.5Å; H822-R826 PolarHBondContact O-N 2.9Å; T823-R826 PolarHBondContact O-N 2.94Å; I824-R826 PolarHBondContact O-N 2.67Å; R826-K830 WeakPolarHBondContact O-CA 3.47Å; R826-K830 VanDerWaalsContact O-CB 3.25Å; R826-K830 WeakPolarHBondContact O-CB 3.2Å; R826-K830 PolarHBondContact O-N 2.89Å; R826-E831 PolarHBondContact O-N 3.49Å; R826-E831 VanDerWaalsContact O-N 3.16Å |
| 827 | L | 91.6 | Very high | 91.4 | Very high | 0 Ų | 0 | 37.8 Ų | 37.8 | 0% | 0 | 17% | 0.165 | C | C | . | . | I | π-helix | trans | -68.9 | -49.2 | -177.7 | -63.5 | 175.8 | 0 | 0 | 0 | 113.8 | M790 F793 V794 T823 I824 H825 E831 R832 L833 F837 | M790-L827 HydrophobicContact CB-CD2 4.09Å; M790-L827 HydrophobicContact CE-CD2 3.58Å; M790-L827 HydrophobicContact CE-CG 4.03Å; M790-L827 WeakPolarHBondContact O-CD2 3.47Å; F793-L827 HydrophobicContact CB-CD1 4Å; V794-L827 HydrophobicContact CG2-CD1 4.19Å; V794-L827 HydrophobicContact CG2-CD2 3.7Å; V794-L827 HydrophobicContact CG2-CG 4.41Å; T823-L827 WeakPolarHBondContact O-CG 3.2Å; T823-L827 PolarHBondContact O-N 3.21Å; T823-L827 VanDerWaalsContact O-N 3.12Å; I824-L827 PolarHBondContact O-N 3.01Å; H825-L827 PolarHBondContact O-N 2.98Å; L827-E831 HydrophobicContact CD2-CG 4.4Å; L827-E831 WeakPolarHBondContact O-CB 3.26Å; L827-R832 PolarHBondContact O-N 3.32Å; L827-L833 PolarHBondContact O-N 2.99Å; L827-L833 VanDerWaalsContact O-N 3.09Å; L827-F837 HydrophobicContact CB-CE2 3.95Å; L827-F837 HydrophobicContact CB-CZ 3.87Å; L827-F837 HydrophobicContact CD1-CZ 4.04Å |
| 828 | A | 91.1 | Very high | 91.3 | Very high | 0 Ų | 0 | 37.3 Ų | 37.3 | 0% | 0 | 16% | 0.162 | C | C | . | . | I | π-helix | trans | -74.1 | -36.1 | -175.6 | 0 | 0 | 0 | 0 | 0 | 112.9 | I824 R832 T834 F837 | I824-A828 VanDerWaalsContact O-CB 3.26Å; I824-A828 WeakPolarHBondContact O-CB 3.5Å; I824-A828 PolarHBondContact O-N 2.96Å; A828-R832 CarbonylContact O-C 3.58Å; A828-R832 WeakPolarHBondContact O-CA 3.44Å; A828-T834 HydrophobicContact CB-CG2 4.43Å; A828-T834 WeakPolarHBondContact O-CG2 3.43Å; A828-F837 HydrophobicContact CB-CD2 3.87Å; A828-F837 HydrophobicContact CB-CE2 3.9Å |
| 829 | V | 90.4 | Very high | 91.2 | Very high | 41 Ų | 41 | 32.5 Ų | 32.5 | 25% | 0.248 | 15% | 0.145 | C | C | . | . | I | π-helix | trans | -102.5 | -43.5 | -171.8 | -169 | 0 | 0 | 0 | 0 | 112.8 | H825 Y870 | H825-V829 VanDerWaalsContact CD2-CG2 3.48Å; H825-V829 WeakPolarHBondContact CD2-CG2 3.36Å; H825-V829 VanDerWaalsContact O-CB 3.24Å; H825-V829 WeakPolarHBondContact O-CB 3.41Å; H825-V829 WeakPolarHBondContact O-CG2 3.44Å; H825-V829 PolarHBondContact O-N 3.37Å; V829-Y870 HydrophobicContact CG1-CE2 4.37Å; V829-Y870 HydrophobicContact CG2-CD1 4.03Å; V829-Y870 HydrophobicContact CG2-CE1 3.75Å; V829-Y870 HydrophobicContact CG2-CE2 4.36Å; V829-Y870 HydrophobicContact CG2-CG 4.47Å |
| 830 | K | 85.3 | Confident | 91 | Very high | 137 Ų | 137 | 36 Ų | 36 | 60% | 0.596 | 16% | 0.163 | S | C | * | . | I | π-helix | trans | -81.1 | -53.6 | 180 | -57.6 | -168.6 | 174 | -166.6 | 0 | 111.6 | R826 R832 | R826-K830 WeakPolarHBondContact O-CA 3.47Å; R826-K830 VanDerWaalsContact O-CB 3.25Å; R826-K830 WeakPolarHBondContact O-CB 3.2Å; R826-K830 PolarHBondContact O-N 2.89Å; K830-R832 PolarHBondContact O-N 3.35Å |
| 831 | E | 85.5 | Confident | 90.8 | Very high | 52 Ų | 52 | 40.5 Ų | 40.5 | 24% | 0.243 | 18% | 0.18 | C | C | . | . | S | Bend | trans | -76.8 | -6.1 | 176.6 | -45.1 | -52.6 | 139.4 | 0 | 0 | 112.7 | S787 M790 R826 L827 L833 | S787-E831 WeakPolarHBondContact CB-OE2 3.47Å; M790-E831 HydrophobicContact CB-CG 4.22Å; R826-E831 PolarHBondContact O-N 3.49Å; R826-E831 VanDerWaalsContact O-N 3.16Å; L827-E831 HydrophobicContact CD2-CG 4.4Å; L827-E831 WeakPolarHBondContact O-CB 3.26Å; E831-L833 HydrophobicContact CB-CD1 4.12Å; E831-L833 HydrophobicContact CB-CG 4.28Å; E831-L833 PolarHBondContact O-N 3.28Å |
| 832 | R | 87.1 | Confident | 90.7 | Very high | 209 Ų | 209 | 40 Ų | 40 | 79% | 0.789 | 18% | 0.177 | S | C | * | . | trans | 64.3 | 13.2 | 178.9 | -52.3 | -179.1 | 179.7 | -176.6 | -0.8 | 115.7 | L827 A828 K830 T834 | L827-R832 PolarHBondContact O-N 3.32Å; A828-R832 CarbonylContact O-C 3.58Å; A828-R832 WeakPolarHBondContact O-CA 3.44Å; K830-R832 PolarHBondContact O-N 3.35Å; R832-T834 PolarHBondContact O-N 2.99Å | ||
| 833 | L | 86.4 | Confident | 90.7 | Very high | 20 Ų | 20 | 38.3 Ų | 38.3 | 11% | 0.105 | 17% | 0.169 | C | C | . | . | trans | -82.7 | 55.3 | -175.1 | -63.7 | 169.8 | 0 | 0 | 0 | 112.8 | L791 V794 L827 E831 G835 F837 | L791-L833 HydrophobicContact CD2-CD1 3.42Å; L791-L833 VanDerWaalsContact CD2-CD1 3.42Å; V794-L833 HydrophobicContact CG1-CD1 4.27Å; V794-L833 HydrophobicContact CG2-CD1 3.82Å; L827-L833 PolarHBondContact O-N 2.99Å; L827-L833 VanDerWaalsContact O-N 3.09Å; E831-L833 HydrophobicContact CB-CD1 4.12Å; E831-L833 HydrophobicContact CB-CG 4.28Å; E831-L833 PolarHBondContact O-N 3.28Å; L833-G835 VanDerWaalsContact C-N 3.34Å; L833-G835 PolarHBondContact O-N 2.86Å; L833-F837 WeakPolarHBondContact O-CD2 3.23Å; L833-F837 WeakPolarHBondContact O-CE2 3.36Å | ||
| 834 | T | 88.2 | Confident | 90.6 | Very high | 7 Ų | 7 | 45.7 Ų | 45.7 | 4% | 0.043 | 20% | 0.197 | C | C | . | . | G | 310 helix | trans | -61.3 | -39.3 | 179.5 | 50.7 | 0 | 0 | 0 | 0 | 112.9 | A828 R832 C836 F837 F838 Y870 K874 | A828-T834 HydrophobicContact CB-CG2 4.43Å; A828-T834 WeakPolarHBondContact O-CG2 3.43Å; R832-T834 PolarHBondContact O-N 2.99Å; T834-C836 PolarHBondContact O-N 3.23Å; T834-C836 VanDerWaalsContact O-N 3.14Å; T834-F837 PolarHBondContact O-N 3.27Å; T834-F838 WeakPolarHBondContact O-CD1 3.43Å; T834-F838 WeakPolarHBondContact O-CE1 3.32Å; T834-Y870 HydrophobicContact CG2-CE1 3.82Å; T834-K874 HydrophobicContact CG2-CB 4.08Å; T834-K874 HydrophobicContact CG2-CG 4.15Å |
| 835 | G | 87.3 | Confident | 90.5 | Very high | 0 Ų | 0 | 46 Ų | 46 | 0% | 0 | 20% | 0.198 | C | C | . | . | G | 310 helix | trans | -56.9 | -30.4 | -177.5 | 0 | 0 | 0 | 0 | 0 | 114.7 | L833 F837 F838 | L833-G835 VanDerWaalsContact C-N 3.34Å; L833-G835 PolarHBondContact O-N 2.86Å; G835-F837 PolarHBondContact O-N 2.91Å; G835-F838 WeakPolarHBondContact O-CB 3.42Å; G835-F838 PolarHBondContact O-N 2.88Å; G835-F838 VanDerWaalsContact O-N 3.12Å |
| 836 | C | 88.9 | Confident | 90.5 | Very high | 7 Ų | 7 | 42.4 Ų | 42.4 | 5% | 0.047 | 18% | 0.182 | C | C | . | . | G | 310 helix | trans | -63.9 | -20.6 | 176.9 | -69 | 0 | 0 | 0 | 0 | 113.6 | V794 T834 S898 | V794-C836 HydrophobicContact CG1-CB 3.9Å; V794-C836 WeakPolarHBondContact CG1-SG 3.49Å; T834-C836 PolarHBondContact O-N 3.23Å; T834-C836 VanDerWaalsContact O-N 3.14Å; C836-S898 WeakPolarHBondContact SG-CB 3.48Å; C836-S898 PolarHBondContact SG-OG 2.9Å; C836-S898 VanDerWaalsContact SG-OG 3.34Å |
| 837 | F | 91.8 | Very high | 90.4 | Very high | 1 Ų | 1 | 45 Ų | 45 | 0% | 0.004 | 20% | 0.195 | C | C | . | . | G | 310 helix | trans | -100.8 | 1.1 | 179.2 | -55.6 | -75.5 | 0 | 0 | 0 | 112.8 | V799 I824 L827 A828 L833 T834 G835 Q839 L842 I871 | V799-F837 HydrophobicContact CG1-CD1 4.04Å; V799-F837 HydrophobicContact CG1-CE1 4.15Å; V799-F837 HydrophobicContact CG2-CE1 4.25Å; I824-F837 HydrophobicContact CB-CE1 4.25Å; I824-F837 HydrophobicContact CB-CZ 4.42Å; I824-F837 HydrophobicContact CD1-CD1 4.46Å; I824-F837 HydrophobicContact CD1-CE1 4.25Å; I824-F837 HydrophobicContact CG1-CD1 4.45Å; I824-F837 HydrophobicContact CG1-CE1 3.84Å; I824-F837 HydrophobicContact CG1-CZ 4.36Å; I824-F837 HydrophobicContact CG2-CD1 3.86Å; I824-F837 HydrophobicContact CG2-CD2 4.34Å; I824-F837 HydrophobicContact CG2-CE1 3.73Å; I824-F837 HydrophobicContact CG2-CE2 4.22Å; I824-F837 HydrophobicContact CG2-CG 4.17Å; I824-F837 HydrophobicContact CG2-CZ 3.92Å; L827-F837 HydrophobicContact CB-CE2 3.95Å; L827-F837 HydrophobicContact CB-CZ 3.87Å; L827-F837 HydrophobicContact CD1-CZ 4.04Å; A828-F837 HydrophobicContact CB-CD2 3.87Å; A828-F837 HydrophobicContact CB-CE2 3.9Å; L833-F837 WeakPolarHBondContact O-CD2 3.23Å; L833-F837 WeakPolarHBondContact O-CE2 3.36Å; T834-F837 PolarHBondContact O-N 3.27Å; G835-F837 PolarHBondContact O-N 2.91Å; F837-Q839 VanDerWaalsContact C-N 3.29Å; F837-Q839 PolarHBondContact O-N 2.87Å; F837-L842 HydrophobicContact CB-CD2 4.12Å; F837-L842 HydrophobicContact CD1-CD2 4.24Å; F837-I871 HydrophobicContact CB-CD1 4.24Å; F837-I871 HydrophobicContact CB-CG2 4.23Å |
| 838 | F | 92.3 | Very high | 90.2 | Very high | 1 Ų | 1 | 49 Ų | 49 | 0% | 0.004 | 21% | 0.212 | C | C | . | . | trans | -82 | 76.4 | 173 | -58.4 | -11.8 | 0 | 0 | 0 | 109.7 | T834 G835 F843 I871 K874 F875 A878 I885 K893 V902 | T834-F838 WeakPolarHBondContact O-CD1 3.43Å; T834-F838 WeakPolarHBondContact O-CE1 3.32Å; G835-F838 WeakPolarHBondContact O-CB 3.42Å; G835-F838 PolarHBondContact O-N 2.88Å; G835-F838 VanDerWaalsContact O-N 3.12Å; F838-F843 HydrophobicContact CB-CZ 4.16Å; F838-F843 HydrophobicContact CD1-CZ 4.11Å; F838-F843 HydrophobicContact CG-CZ 4.41Å; F838-I871 HydrophobicContact CD1-CG2 4.13Å; F838-I871 HydrophobicContact CE1-CG2 4.1Å; F838-K874 HydrophobicContact CZ-CB 4.28Å; F838-K874 WeakPolarHBondContact CZ-O 3.5Å; F838-F875 HydrophobicContact CB-CD2 4.06Å; F838-F875 HydrophobicContact CD1-CB 4.04Å; F838-F875 HydrophobicContact CD1-CD2 4.11Å; F838-F875 AromaticContact CD2-CD2 3.79Å; F838-F875 HydrophobicContact CD2-CD2 3.79Å; F838-F875 HydrophobicContact CE1-CB 3.83Å; F838-F875 HydrophobicContact CE2-CB 4.44Å; F838-F875 HydrophobicContact CE2-CD2 4.24Å; F838-F875 HydrophobicContact CG-CB 4.48Å; F838-F875 AromaticContact CG-CD2 3.74Å; F838-F875 HydrophobicContact CG-CD2 3.74Å; F838-F875 HydrophobicContact CZ-CB 4.07Å; F838-A878 HydrophobicContact CE2-CB 4.18Å; F838-I885 HydrophobicContact CD2-CD1 3.59Å; F838-I885 HydrophobicContact CD2-CG1 4.13Å; F838-I885 HydrophobicContact CE2-CD1 3.66Å; F838-K893 PolarHBondContact O-NZ 3.4Å; F838-V902 HydrophobicContact CE2-CG2 3.78Å; F838-V902 HydrophobicContact CZ-CG2 4.39Å | ||
| 839 | Q | 92.1 | Very high | 90.1 | Very high | 14 Ų | 14 | 49 Ų | 49 | 7% | 0.065 | 21% | 0.213 | C | C | . | . | trans | -134.9 | 126.6 | -173.8 | -178.7 | 64.2 | -11.9 | 0 | 0 | 110.6 | F837 R841 L842 F843 T889 F891 F892 | F837-Q839 VanDerWaalsContact C-N 3.29Å; F837-Q839 PolarHBondContact O-N 2.87Å; Q839-R841 VanDerWaalsContact C-N 3.31Å; Q839-R841 PolarHBondContact O-N 3.46Å; Q839-L842 HydrophobicContact CB-CB 4.43Å; Q839-L842 WeakPolarHBondContact O-CA 3.32Å; Q839-L842 WeakPolarHBondContact O-CB 3.3Å; Q839-L842 PolarHBondContact O-N 3.45Å; Q839-F843 PolarHBondContact O-N 3.21Å; Q839-T889 PolarHBondContact OE1-O 3.08Å; Q839-T889 VanDerWaalsContact OE1-O 3.06Å; Q839-F891 PolarHBondContact OE1-O 3.35Å; Q839-F892 HydrophobicContact CG-CD1 4.27Å; Q839-F892 HydrophobicContact CG-CE1 4.08Å | ||
| 840 | L | 91.9 | Very high | 90 | Very high | 75 Ų | 75 | 50.1 Ų | 50.1 | 39% | 0.393 | 22% | 0.217 | S | C | . | . | H | α-helix | trans | -57.3 | -38.2 | -169.5 | -178.6 | 63.1 | 0 | 0 | 0 | 113.3 | L842 F843 R844 T889 L890 | L840-L842 PolarHBondContact O-N 3Å; L840-F843 PolarHBondContact O-N 2.85Å; L840-R844 WeakPolarHBondContact O-CG 3.49Å; L840-R844 PolarHBondContact O-N 3.23Å; L840-T889 VanDerWaalsContact CB-O 3.32Å; L840-T889 WeakPolarHBondContact CB-O 3.45Å; L840-T889 PolarHBondContact N-O 3.06Å; L840-L890 HydrophobicContact CD2-CD2 3.76Å |
| 841 | R | 91.8 | Very high | 89.8 | Confident | 95 Ų | 95 | 50.1 Ų | 50.1 | 36% | 0.358 | 22% | 0.219 | S | C | . | . | H | α-helix | trans | -64.4 | -39.3 | 176 | -172.7 | 175.4 | -179.4 | 170.7 | 0.9 | 112.1 | H800 T803 E807 Q839 R844 V845 | H800-R841 PolarHBondContact CE1-NH1 3.13Å; T803-R841 HydrophobicContact CG2-CB 4.5Å; T803-R841 HydrophobicContact CG2-CG 4.07Å; E807-R841 IonicContact OE1-NH2 3.47Å; E807-R841 PolarHBondContact OE1-NH2 2.71Å; E807-R841 IonicContact OE2-CZ 3.73Å; E807-R841 VanDerWaalsContact OE2-CZ 3.24Å; E807-R841 IonicContact OE2-NE 3.93Å; E807-R841 PolarHBondContact OE2-NE 3.5Å; E807-R841 IonicContact OE2-NH2 3.45Å; E807-R841 PolarHBondContact OE2-NH2 2.95Å; Q839-R841 VanDerWaalsContact C-N 3.31Å; Q839-R841 PolarHBondContact O-N 3.46Å; R841-R844 PolarHBondContact O-N 3.13Å; R841-V845 PolarHBondContact O-N 2.95Å; R841-V845 VanDerWaalsContact O-N 3.15Å |
| 842 | L | 93.7 | Very high | 89.5 | Confident | 1 Ų | 1 | 49.4 Ų | 49.4 | 1% | 0.005 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -68.8 | -38.7 | 176.5 | -174.8 | 60.4 | 0 | 0 | 0 | 110.7 | T803 L806 F837 Q839 L840 R844 V845 F846 | T803-L842 HydrophobicContact CG2-CB 4.13Å; T803-L842 HydrophobicContact CG2-CD1 4.07Å; L806-L842 HydrophobicContact CD1-CD1 4.02Å; F837-L842 HydrophobicContact CB-CD2 4.12Å; F837-L842 HydrophobicContact CD1-CD2 4.24Å; Q839-L842 HydrophobicContact CB-CB 4.43Å; Q839-L842 WeakPolarHBondContact O-CA 3.32Å; Q839-L842 WeakPolarHBondContact O-CB 3.3Å; Q839-L842 PolarHBondContact O-N 3.45Å; L840-L842 PolarHBondContact O-N 3Å; L842-R844 VanDerWaalsContact C-N 3.32Å; L842-R844 PolarHBondContact O-N 3.38Å; L842-V845 WeakPolarHBondContact O-CB 3.5Å; L842-V845 PolarHBondContact O-N 3.4Å; L842-V845 VanDerWaalsContact O-N 3.12Å; L842-F846 HydrophobicContact CD1-CD1 4.21Å; L842-F846 HydrophobicContact CD1-CE1 3.52Å; L842-F846 HydrophobicContact CD1-CZ 3.94Å; L842-F846 HydrophobicContact CD2-CE1 4.28Å; L842-F846 HydrophobicContact CD2-CE2 4.47Å; L842-F846 HydrophobicContact CD2-CZ 3.81Å; L842-F846 HydrophobicContact CG-CD1 4.3Å; L842-F846 HydrophobicContact CG-CE1 3.63Å; L842-F846 HydrophobicContact CG-CE2 4.15Å; L842-F846 HydrophobicContact CG-CZ 3.55Å; L842-F846 WeakPolarHBondContact O-CD1 3.23Å; L842-F846 WeakPolarHBondContact O-CG 3.48Å; L842-F846 PolarHBondContact O-N 2.85Å |
| 843 | F | 94.8 | Very high | 88.9 | Confident | 30 Ų | 30 | 45.7 Ų | 45.7 | 13% | 0.132 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -64.2 | -32.6 | 172.9 | -68.8 | -1.9 | 0 | 0 | 0 | 112.9 | F838 Q839 L840 F846 Q847 I871 L872 F875 T889 | F838-F843 HydrophobicContact CB-CZ 4.16Å; F838-F843 HydrophobicContact CD1-CZ 4.11Å; F838-F843 HydrophobicContact CG-CZ 4.41Å; Q839-F843 PolarHBondContact O-N 3.21Å; L840-F843 PolarHBondContact O-N 2.85Å; F843-F846 AromaticContact CD1-CD2 3.89Å; F843-F846 HydrophobicContact CD1-CD2 3.89Å; F843-F846 HydrophobicContact CD1-CE2 4.07Å; F843-F846 HydrophobicContact CE1-CD2 4.46Å; F843-F846 HydrophobicContact CE1-CE2 4.3Å; F843-F846 PolarHBondContact O-N 2.96Å; F843-Q847 WeakPolarHBondContact O-CB 3.28Å; F843-Q847 PolarHBondContact O-N 3.29Å; F843-I871 HydrophobicContact CE1-CG2 4.27Å; F843-L872 HydrophobicContact CD1-CD2 4.36Å; F843-L872 HydrophobicContact CE1-CD2 4.3Å; F843-F875 HydrophobicContact CE2-CD1 4.15Å; F843-F875 AromaticContact CE2-CD2 3.81Å; F843-F875 HydrophobicContact CE2-CD2 3.81Å; F843-F875 HydrophobicContact CE2-CE1 4.27Å; F843-F875 AromaticContact CE2-CE2 3.93Å; F843-F875 HydrophobicContact CE2-CE2 3.93Å; F843-F875 AromaticContact CE2-CG 3.92Å; F843-F875 HydrophobicContact CE2-CG 3.92Å; F843-F875 HydrophobicContact CE2-CZ 4.15Å; F843-F875 HydrophobicContact CZ-CB 4.12Å; F843-F875 HydrophobicContact CZ-CD1 4.43Å; F843-F875 AromaticContact CZ-CD2 3.78Å; F843-F875 HydrophobicContact CZ-CD2 3.78Å; F843-F875 HydrophobicContact CZ-CE2 4.34Å; F843-F875 AromaticContact CZ-CG 3.83Å; F843-F875 HydrophobicContact CZ-CG 3.83Å; F843-T889 HydrophobicContact CE2-CG2 4.15Å |
| 844 | R | 91.8 | Very high | 88.4 | Confident | 155 Ų | 155 | 48.5 Ų | 48.5 | 59% | 0.585 | 23% | 0.228 | S | C | * | . | H | α-helix | trans | -67.5 | -35.5 | 170.3 | -70.3 | -60.9 | -168.1 | 165.7 | 6.6 | 112.9 | L840 R841 L842 Q847 K848 | L840-R844 WeakPolarHBondContact O-CG 3.49Å; L840-R844 PolarHBondContact O-N 3.23Å; R841-R844 PolarHBondContact O-N 3.13Å; L842-R844 VanDerWaalsContact C-N 3.32Å; L842-R844 PolarHBondContact O-N 3.38Å; R844-Q847 VanDerWaalsContact CD-OE1 3.31Å; R844-Q847 WeakPolarHBondContact O-CB 3.4Å; R844-Q847 PolarHBondContact O-N 2.93Å; R844-K848 PolarHBondContact O-N 3.41Å |
| 845 | V | 92.6 | Very high | 87.9 | Confident | 10 Ų | 10 | 48.8 Ų | 48.8 | 6% | 0.061 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -65.9 | -42.2 | 170.9 | 175.7 | 0 | 0 | 0 | 0 | 110.8 | T803 L806 E807 R841 L842 Q847 K848 F849 | T803-V845 HydrophobicContact CG2-CG2 4.43Å; L806-V845 HydrophobicContact CB-CG1 4Å; L806-V845 WeakPolarHBondContact O-CG1 3.43Å; E807-V845 HydrophobicContact CB-CG2 4.2Å; E807-V845 HydrophobicContact CG-CG2 4.19Å; R841-V845 PolarHBondContact O-N 2.95Å; R841-V845 VanDerWaalsContact O-N 3.15Å; L842-V845 WeakPolarHBondContact O-CB 3.5Å; L842-V845 PolarHBondContact O-N 3.4Å; L842-V845 VanDerWaalsContact O-N 3.12Å; V845-Q847 VanDerWaalsContact C-N 3.32Å; V845-Q847 PolarHBondContact O-N 2.91Å; V845-K848 PolarHBondContact O-N 3.02Å; V845-F849 WeakPolarHBondContact O-CB 3.41Å; V845-F849 PolarHBondContact O-N 2.91Å |
| 846 | F | 94.2 | Very high | 87.5 | Confident | 8 Ų | 8 | 49.8 Ų | 49.8 | 4% | 0.035 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -62.1 | -39.6 | 173.7 | -62.7 | -7 | 0 | 0 | 0 | 111.7 | L842 F843 F849 L850 I868 I871 L872 | L842-F846 HydrophobicContact CD1-CD1 4.21Å; L842-F846 HydrophobicContact CD1-CE1 3.52Å; L842-F846 HydrophobicContact CD1-CZ 3.94Å; L842-F846 HydrophobicContact CD2-CE1 4.28Å; L842-F846 HydrophobicContact CD2-CE2 4.47Å; L842-F846 HydrophobicContact CD2-CZ 3.81Å; L842-F846 HydrophobicContact CG-CD1 4.3Å; L842-F846 HydrophobicContact CG-CE1 3.63Å; L842-F846 HydrophobicContact CG-CE2 4.15Å; L842-F846 HydrophobicContact CG-CZ 3.55Å; L842-F846 WeakPolarHBondContact O-CD1 3.23Å; L842-F846 WeakPolarHBondContact O-CG 3.48Å; L842-F846 PolarHBondContact O-N 2.85Å; F843-F846 AromaticContact CD1-CD2 3.89Å; F843-F846 HydrophobicContact CD1-CD2 3.89Å; F843-F846 HydrophobicContact CD1-CE2 4.07Å; F843-F846 HydrophobicContact CE1-CD2 4.46Å; F843-F846 HydrophobicContact CE1-CE2 4.3Å; F843-F846 PolarHBondContact O-N 2.96Å; F846-F849 PolarHBondContact O-N 3.41Å; F846-L850 WeakPolarHBondContact O-CB 3.38Å; F846-L850 VanDerWaalsContact O-CG 3.28Å; F846-L850 WeakPolarHBondContact O-CG 3.33Å; F846-L850 PolarHBondContact O-N 3.29Å; F846-I868 HydrophobicContact CB-CD1 4.37Å; F846-I868 HydrophobicContact CB-CG1 4.49Å; F846-I868 HydrophobicContact CB-CG2 3.94Å; F846-I868 HydrophobicContact CD1-CD1 3.69Å; F846-I868 HydrophobicContact CD1-CG1 3.56Å; F846-I868 HydrophobicContact CD1-CG2 4.48Å; F846-I868 HydrophobicContact CD2-CG1 4.22Å; F846-I868 HydrophobicContact CD2-CG2 3.94Å; F846-I868 HydrophobicContact CE1-CD1 4.18Å; F846-I868 HydrophobicContact CE1-CG1 3.67Å; F846-I868 HydrophobicContact CE2-CG1 4.32Å; F846-I868 HydrophobicContact CG-CB 4.44Å; F846-I868 HydrophobicContact CG-CD1 4.11Å; F846-I868 HydrophobicContact CG-CG1 3.84Å; F846-I868 HydrophobicContact CG-CG2 3.89Å; F846-I868 HydrophobicContact CZ-CG1 4.05Å; F846-I871 HydrophobicContact CE2-CB 4.3Å; F846-I871 HydrophobicContact CE2-CD1 4.38Å; F846-I871 HydrophobicContact CE2-CG2 4.05Å; F846-I871 HydrophobicContact CZ-CD1 4.06Å; F846-L872 HydrophobicContact CD2-CD2 4.33Å; F846-L872 HydrophobicContact CD2-CG 4.38Å |
| 847 | Q | 90.1 | Very high | 87 | Confident | 82 Ų | 82 | 55.2 Ų | 55.2 | 38% | 0.383 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -60.6 | -50.1 | 174 | -171.4 | -177.3 | 10.8 | 0 | 0 | 111.2 | F843 R844 V845 F849 L850 H851 | F843-Q847 WeakPolarHBondContact O-CB 3.28Å; F843-Q847 PolarHBondContact O-N 3.29Å; R844-Q847 VanDerWaalsContact CD-OE1 3.31Å; R844-Q847 WeakPolarHBondContact O-CB 3.4Å; R844-Q847 PolarHBondContact O-N 2.93Å; V845-Q847 VanDerWaalsContact C-N 3.32Å; V845-Q847 PolarHBondContact O-N 2.91Å; Q847-F849 VanDerWaalsContact C-N 3.32Å; Q847-F849 PolarHBondContact O-N 2.92Å; Q847-L850 PolarHBondContact O-N 3.08Å; Q847-H851 PolarHBondContact O-N 3.12Å; Q847-H851 VanDerWaalsContact O-N 3.07Å; Q847-H851 PolarHBondContact O-ND1 3.48Å |
| 848 | K | 87.1 | Confident | 86.5 | Confident | 84 Ų | 84 | 56.3 Ų | 56.3 | 37% | 0.365 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -53.4 | -48.3 | 174.9 | 177.3 | -172.4 | 168.7 | -170.8 | 0 | 111 | E807 Y809 D810 R844 V845 D852 | E807-K848 PolarHBondContact O-NZ 2.76Å; Y809-K848 HydrophobicContact CE1-CD 4.04Å; Y809-K848 HydrophobicContact CE1-CG 4.18Å; D810-K848 IonicContact OD1-NZ 2.7Å; R844-K848 PolarHBondContact O-N 3.41Å; V845-K848 PolarHBondContact O-N 3.02Å; K848-D852 PolarHBondContact O-N 3.4Å |
| 849 | F | 89.8 | Confident | 86.1 | Confident | 1 Ų | 1 | 61.8 Ų | 61.8 | 0% | 0.004 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -63.3 | -45.9 | 179.4 | 177 | -94.5 | 0 | 0 | 0 | 113 | Y809 V845 F846 Q847 H851 D852 A856 F861 L864 A865 I868 | Y809-F849 AromaticContact CD2-CD2 3.9Å; Y809-F849 HydrophobicContact CD2-CD2 3.9Å; Y809-F849 HydrophobicContact CD2-CE2 4.38Å; Y809-F849 HydrophobicContact CE1-CB 4.16Å; Y809-F849 HydrophobicContact CE1-CD2 4.34Å; Y809-F849 AromaticContact CE2-CD2 3.62Å; Y809-F849 HydrophobicContact CE2-CD2 3.62Å; Y809-F849 HydrophobicContact CE2-CE2 4.25Å; Y809-F849 HydrophobicContact CG-CD2 4.39Å; Y809-F849 AromaticContact CZ-CD2 3.88Å; V845-F849 WeakPolarHBondContact O-CB 3.41Å; V845-F849 PolarHBondContact O-N 2.91Å; F846-F849 PolarHBondContact O-N 3.41Å; Q847-F849 VanDerWaalsContact C-N 3.32Å; Q847-F849 PolarHBondContact O-N 2.92Å; F849-H851 VanDerWaalsContact C-N 3.35Å; F849-H851 PolarHBondContact O-N 2.91Å; F849-D852 PolarHBondContact O-N 3.39Å; F849-A856 HydrophobicContact CD1-CB 4.31Å; F849-A856 HydrophobicContact CE1-CB 3.8Å; F849-A856 HydrophobicContact CZ-CB 4.06Å; F849-F861 HydrophobicContact CE2-CB 3.75Å; F849-F861 HydrophobicContact CE2-CD1 4.07Å; F849-F861 HydrophobicContact CE2-CG 4.01Å; F849-F861 HydrophobicContact CZ-CB 3.81Å; F849-L864 HydrophobicContact CD2-CD2 3.84Å; F849-L864 HydrophobicContact CE2-CD2 3.67Å; F849-L864 HydrophobicContact CE2-CG 4.24Å; F849-L864 HydrophobicContact CG-CD2 4.46Å; F849-L864 HydrophobicContact CZ-CB 4.45Å; F849-L864 HydrophobicContact CZ-CD2 4.14Å; F849-L864 HydrophobicContact CZ-CG 4.2Å; F849-A865 HydrophobicContact CE1-CB 3.85Å; F849-A865 HydrophobicContact CZ-CB 4.12Å; F849-I868 HydrophobicContact CB-CD1 4.35Å; F849-I868 HydrophobicContact CD1-CD1 3.46Å; F849-I868 VanDerWaalsContact CD1-CD1 3.46Å; F849-I868 HydrophobicContact CE1-CD1 3.95Å; F849-I868 HydrophobicContact CG-CD1 4Å |
| 850 | L | 86.9 | Confident | 85.7 | Confident | 64 Ų | 64 | 65.2 Ų | 65.2 | 34% | 0.335 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -73.8 | -21.8 | -176.5 | -68.9 | 173.1 | 0 | 0 | 0 | 114 | F846 Q847 I868 L872 | F846-L850 WeakPolarHBondContact O-CB 3.38Å; F846-L850 VanDerWaalsContact O-CG 3.28Å; F846-L850 WeakPolarHBondContact O-CG 3.33Å; F846-L850 PolarHBondContact O-N 3.29Å; Q847-L850 PolarHBondContact O-N 3.08Å; L850-I868 HydrophobicContact CD1-CG2 3.91Å; L850-I868 HydrophobicContact CD2-CG2 4.45Å; L850-I868 HydrophobicContact CG-CG2 4.31Å; L850-L872 HydrophobicContact CD1-CD1 4Å |
| 851 | H | 81.6 | Confident | 85.5 | Confident | 137 Ų | 137 | 62.1 Ų | 62.1 | 63% | 0.634 | 31% | 0.314 | S | S | * | . | H | α-helix | trans | -74.3 | -31.2 | 171.2 | -75.3 | 60.7 | 0 | 0 | 0 | 111.8 | Q847 F849 R853 | Q847-H851 PolarHBondContact O-N 3.12Å; Q847-H851 VanDerWaalsContact O-N 3.07Å; Q847-H851 PolarHBondContact O-ND1 3.48Å; F849-H851 VanDerWaalsContact C-N 3.35Å; F849-H851 PolarHBondContact O-N 2.91Å; H851-R853 PolarHBondContact O-N 3.36Å |
| 852 | D | 79.5 | Confident | 85.4 | Confident | 37 Ų | 37 | 64 Ų | 64 | 20% | 0.198 | 32% | 0.324 | C | S | . | . | trans | -77.1 | 70.9 | 172.6 | -162.7 | -31.7 | 0 | 0 | 0 | 110.3 | R263 K848 F849 A854 L855 A856 | R263-D852 IonicContact CZ-OD2 2.78Å; R263-D852 IonicContact NE-OD2 3.67Å; R263-D852 IonicContact NH2-OD2 2.72Å; R263-D852 PolarHBondContact NH2-OD2 3.42Å; K848-D852 PolarHBondContact O-N 3.4Å; F849-D852 PolarHBondContact O-N 3.39Å; D852-A854 PolarHBondContact O-N 2.91Å; D852-L855 HydrophobicContact CB-CB 4.41Å; D852-L855 PolarHBondContact O-N 3.01Å; D852-L855 VanDerWaalsContact O-N 3.08Å; D852-L855 WeakPolarHBondContact OD1-CG 3.49Å; D852-L855 PolarHBondContact OD1-N 2.93Å; D852-L855 VanDerWaalsContact OD2-CD1 3.28Å; D852-L855 WeakPolarHBondContact OD2-CD1 3.43Å; D852-A856 WeakPolarHBondContact O-CB 3.36Å; D852-A856 PolarHBondContact O-N 2.96Å | ||
| 853 | R | 74.2 | Confident | 85.3 | Confident | 131 Ų | 131 | 68.6 Ų | 68.6 | 49% | 0.494 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -53.5 | -29.7 | -177.9 | -76.5 | -165.7 | -178.5 | -169.9 | 4.4 | 113 | H851 T857 | H851-R853 PolarHBondContact O-N 3.36Å; R853-T857 VanDerWaalsContact O-CB 3.3Å; R853-T857 WeakPolarHBondContact O-CB 3.2Å; R853-T857 PolarHBondContact O-N 2.68Å; R853-T857 VanDerWaalsContact O-N 3.12Å; R853-T857 PolarHBondContact O-OG1 3.05Å |
| 854 | A | 75.3 | Confident | 85.2 | Confident | 78 Ų | 78 | 67.7 Ų | 67.7 | 65% | 0.645 | 34% | 0.342 | S | S | * | . | H | α-helix | trans | -66.5 | -47.6 | 178 | 0 | 0 | 0 | 0 | 0 | 111.4 | D852 S858 | D852-A854 PolarHBondContact O-N 2.91Å; A854-S858 PolarHBondContact O-N 3.07Å |
| 855 | L | 78.4 | Confident | 85.3 | Confident | 14 Ų | 14 | 60.5 Ų | 60.5 | 7% | 0.073 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -71.1 | -42.8 | 174.9 | -63.5 | -177.4 | 0 | 0 | 0 | 112 | Y809 D810 D852 T857 S858 F861 | Y809-L855 HydrophobicContact CE2-CD1 3.65Å; D810-L855 HydrophobicContact CB-CD1 4.25Å; D852-L855 HydrophobicContact CB-CB 4.41Å; D852-L855 PolarHBondContact O-N 3.01Å; D852-L855 VanDerWaalsContact O-N 3.08Å; D852-L855 WeakPolarHBondContact OD1-CG 3.49Å; D852-L855 PolarHBondContact OD1-N 2.93Å; D852-L855 VanDerWaalsContact OD2-CD1 3.28Å; D852-L855 WeakPolarHBondContact OD2-CD1 3.43Å; L855-T857 PolarHBondContact O-N 2.73Å; L855-S858 WeakPolarHBondContact O-CB 3.41Å; L855-S858 PolarHBondContact O-N 2.88Å; L855-S858 PolarHBondContact O-OG 2.8Å; L855-F861 HydrophobicContact CB-CD2 4.47Å; L855-F861 HydrophobicContact CD2-CE2 4.29Å |
| 856 | A | 77.7 | Confident | 85.3 | Confident | 21 Ų | 21 | 64.1 Ų | 64.1 | 17% | 0.174 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -64.4 | -21.4 | -178.6 | 0 | 0 | 0 | 0 | 0 | 114.7 | F849 D852 | F849-A856 HydrophobicContact CD1-CB 4.31Å; F849-A856 HydrophobicContact CE1-CB 3.8Å; F849-A856 HydrophobicContact CZ-CB 4.06Å; D852-A856 WeakPolarHBondContact O-CB 3.36Å; D852-A856 PolarHBondContact O-N 2.96Å |
| 857 | T | 79.5 | Confident | 85.3 | Confident | 120 Ų | 120 | 64.2 Ų | 64.2 | 74% | 0.736 | 34% | 0.336 | S | S | * | . | H | α-helix | trans | -94.5 | -14.9 | 175.5 | -48 | 0 | 0 | 0 | 0 | 112.5 | R853 L855 | R853-T857 VanDerWaalsContact O-CB 3.3Å; R853-T857 WeakPolarHBondContact O-CB 3.2Å; R853-T857 PolarHBondContact O-N 2.68Å; R853-T857 VanDerWaalsContact O-N 3.12Å; R853-T857 PolarHBondContact O-OG1 3.05Å; L855-T857 PolarHBondContact O-N 2.73Å |
| 858 | S | 82.1 | Confident | 85.5 | Confident | 24 Ų | 24 | 60.4 Ų | 60.4 | 17% | 0.168 | 32% | 0.318 | C | S | . | . | S | Bend | trans | -67.7 | 148 | -176.7 | 75.2 | 0 | 0 | 0 | 0 | 112.7 | A854 L855 E860 F861 K862 | A854-S858 PolarHBondContact O-N 3.07Å; L855-S858 WeakPolarHBondContact O-CB 3.41Å; L855-S858 PolarHBondContact O-N 2.88Å; L855-S858 PolarHBondContact O-OG 2.8Å; S858-E860 VanDerWaalsContact C-N 3.26Å; S858-E860 PolarHBondContact O-N 3.12Å; S858-F861 PolarHBondContact O-N 2.93Å; S858-K862 PolarHBondContact O-N 3.1Å |
| 859 | P | 83.6 | Confident | 85.8 | Confident | 117 Ų | 117 | 62.3 Ų | 62.3 | 76% | 0.76 | 33% | 0.326 | S | S | * | . | G | 310 helix | trans | -64.3 | -32.4 | 179 | 25.9 | -34.1 | 0 | 0 | 0 | 112.6 | F861 K862 | P859-F861 VanDerWaalsContact C-N 3.28Å; P859-F861 PolarHBondContact O-N 3.49Å; P859-K862 WeakPolarHBondContact O-CB 3.33Å; P859-K862 PolarHBondContact O-N 2.73Å |
| 860 | E | 82.3 | Confident | 86.1 | Confident | 85 Ų | 85 | 65 Ų | 65 | 40% | 0.397 | 34% | 0.337 | S | S | . | . | G | 310 helix | trans | -61.7 | -32.6 | -179 | -161.3 | 175.4 | -107.8 | 0 | 0 | 112.4 | R259 E814 S858 | R259-E860 IonicContact CZ-OE2 3.31Å; R259-E860 VanDerWaalsContact CZ-OE2 3.25Å; R259-E860 IonicContact NH1-OE2 2.81Å; R259-E860 PolarHBondContact NH1-OE2 3.12Å; R259-E860 IonicContact NH2-OE1 3.87Å; R259-E860 IonicContact NH2-OE2 3.78Å; R259-E860 PolarHBondContact NH2-OE2 3.35Å; E814-E860 HydrophobicContact CG-CG 4.32Å; S858-E860 VanDerWaalsContact C-N 3.26Å; S858-E860 PolarHBondContact O-N 3.12Å |
| 861 | F | 87.8 | Confident | 86.4 | Confident | 11 Ų | 11 | 61.9 Ų | 61.9 | 5% | 0.048 | 32% | 0.321 | C | S | . | . | G | 310 helix | trans | -109 | 10.8 | 178.6 | -67.5 | -81.3 | 0 | 0 | 0 | 114.2 | Y809 F849 L855 S858 P859 E863 L864 A865 | Y809-F861 HydrophobicContact CD2-CD1 4.43Å; Y809-F861 AromaticContact CD2-CE1 3.89Å; Y809-F861 HydrophobicContact CD2-CE1 3.89Å; Y809-F861 HydrophobicContact CD2-CZ 4.17Å; Y809-F861 WeakPolarHBondContact O-CE1 3.34Å; Y809-F861 WeakPolarHBondContact O-CZ 3.24Å; F849-F861 HydrophobicContact CE2-CB 3.75Å; F849-F861 HydrophobicContact CE2-CD1 4.07Å; F849-F861 HydrophobicContact CE2-CG 4.01Å; F849-F861 HydrophobicContact CZ-CB 3.81Å; L855-F861 HydrophobicContact CB-CD2 4.47Å; L855-F861 HydrophobicContact CD2-CE2 4.29Å; S858-F861 PolarHBondContact O-N 2.93Å; P859-F861 VanDerWaalsContact C-N 3.28Å; P859-F861 PolarHBondContact O-N 3.49Å; F861-E863 VanDerWaalsContact C-N 3.29Å; F861-E863 PolarHBondContact O-N 2.89Å; F861-L864 HydrophobicContact CD1-CD2 3.95Å; F861-L864 PolarHBondContact O-N 3.12Å; F861-L864 VanDerWaalsContact O-N 3.16Å; F861-A865 PolarHBondContact O-N 2.71Å |
| 862 | K | 90.2 | Very high | 87.1 | Confident | 133 Ų | 133 | 57.2 Ų | 57.2 | 58% | 0.578 | 30% | 0.3 | S | S | * | . | H | α-helix | trans | -57.5 | -38.4 | -177.7 | -177.3 | 177.7 | 177.4 | -179.3 | 0 | 113.1 | S858 P859 A865 N866 | S858-K862 PolarHBondContact O-N 3.1Å; P859-K862 WeakPolarHBondContact O-CB 3.33Å; P859-K862 PolarHBondContact O-N 2.73Å; K862-A865 PolarHBondContact O-N 3.32Å; K862-N866 WeakPolarHBondContact O-CB 3.5Å; K862-N866 VanDerWaalsContact O-CG 3.25Å; K862-N866 PolarHBondContact O-N 3.39Å; K862-N866 PolarHBondContact O-ND2 3.49Å |
| 863 | E | 91.3 | Very high | 87.8 | Confident | 99 Ų | 99 | 61.8 Ų | 61.8 | 46% | 0.463 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -69 | -41.5 | 178.4 | -60.3 | -174.5 | 154.7 | 0 | 0 | 112 | V821 H822 F861 N866 L867 | V821-E863 HydrophobicContact CG1-CB 3.91Å; H822-E863 IonicContact NE2-OE2 3.12Å; F861-E863 VanDerWaalsContact C-N 3.29Å; F861-E863 PolarHBondContact O-N 2.89Å; E863-N866 PolarHBondContact O-N 3Å; E863-L867 WeakPolarHBondContact O-CB 3.17Å; E863-L867 PolarHBondContact O-N 3.09Å |
| 864 | L | 93.5 | Very high | 88.7 | Confident | 10 Ų | 10 | 58.1 Ų | 58.1 | 5% | 0.052 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -61.7 | -46.2 | 173.6 | 178.7 | 59.2 | 0 | 0 | 0 | 110.8 | L806 V821 F849 F861 N866 L867 I868 | L806-L864 HydrophobicContact CD2-CD1 4.17Å; V821-L864 HydrophobicContact CG2-CB 3.86Å; V821-L864 HydrophobicContact CG2-CD1 3.79Å; V821-L864 HydrophobicContact CG2-CG 4.38Å; F849-L864 HydrophobicContact CD2-CD2 3.84Å; F849-L864 HydrophobicContact CE2-CD2 3.67Å; F849-L864 HydrophobicContact CE2-CG 4.24Å; F849-L864 HydrophobicContact CG-CD2 4.46Å; F849-L864 HydrophobicContact CZ-CB 4.45Å; F849-L864 HydrophobicContact CZ-CD2 4.14Å; F849-L864 HydrophobicContact CZ-CG 4.2Å; F861-L864 HydrophobicContact CD1-CD2 3.95Å; F861-L864 PolarHBondContact O-N 3.12Å; F861-L864 VanDerWaalsContact O-N 3.16Å; L864-N866 VanDerWaalsContact C-N 3.3Å; L864-N866 PolarHBondContact O-N 3.41Å; L864-L867 PolarHBondContact O-N 3.46Å; L864-I868 HydrophobicContact CD1-CD1 3.88Å; L864-I868 HydrophobicContact CD1-CG1 4.14Å; L864-I868 HydrophobicContact CG-CD1 3.85Å; L864-I868 HydrophobicContact CG-CG1 4.49Å; L864-I868 WeakPolarHBondContact O-CB 3.44Å; L864-I868 VanDerWaalsContact O-CG1 3.25Å; L864-I868 WeakPolarHBondContact O-CG1 3.45Å; L864-I868 PolarHBondContact O-N 3.17Å |
| 865 | A | 92.9 | Very high | 89.6 | Confident | 4 Ų | 4 | 55 Ų | 55 | 3% | 0.033 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -59.9 | -39.2 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | F849 F861 K862 K869 | F849-A865 HydrophobicContact CE1-CB 3.85Å; F849-A865 HydrophobicContact CZ-CB 4.12Å; F861-A865 PolarHBondContact O-N 2.71Å; K862-A865 PolarHBondContact O-N 3.32Å; A865-K869 WeakPolarHBondContact O-CB 3.46Å; A865-K869 WeakPolarHBondContact O-CD 3.3Å; A865-K869 VanDerWaalsContact O-CG 3.24Å; A865-K869 WeakPolarHBondContact O-CG 3.49Å; A865-K869 PolarHBondContact O-N 3.42Å; A865-K869 VanDerWaalsContact O-N 3.08Å |
| 866 | N | 93.4 | Very high | 90.3 | Very high | 87 Ų | 87 | 59.4 Ų | 59.4 | 47% | 0.465 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -69.5 | -41.5 | 176.1 | -73.8 | -16.3 | 0 | 0 | 0 | 112.4 | K862 E863 L864 K869 Y870 | K862-N866 WeakPolarHBondContact O-CB 3.5Å; K862-N866 VanDerWaalsContact O-CG 3.25Å; K862-N866 PolarHBondContact O-N 3.39Å; K862-N866 PolarHBondContact O-ND2 3.49Å; E863-N866 PolarHBondContact O-N 3Å; L864-N866 VanDerWaalsContact C-N 3.3Å; L864-N866 PolarHBondContact O-N 3.41Å; N866-K869 PolarHBondContact O-N 2.95Å; N866-Y870 PolarHBondContact O-N 3.23Å |
| 867 | L | 94 | Very high | 90.9 | Very high | 10 Ų | 10 | 60.8 Ų | 60.8 | 5% | 0.052 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -63 | -44.2 | 175.9 | 179.4 | 63.3 | 0 | 0 | 0 | 111.6 | V821 I824 H825 E863 L864 Y870 I871 | V821-L867 HydrophobicContact CB-CD2 4.31Å; V821-L867 HydrophobicContact CG1-CB 4.5Å; V821-L867 HydrophobicContact CG1-CD2 4.03Å; V821-L867 HydrophobicContact CG2-CD2 4.37Å; I824-L867 HydrophobicContact CB-CD2 3.98Å; I824-L867 HydrophobicContact CG2-CD1 4.26Å; I824-L867 HydrophobicContact CG2-CD2 3.86Å; I824-L867 HydrophobicContact CG2-CG 4.44Å; H825-L867 HydrophobicContact CB-CD1 4.22Å; E863-L867 WeakPolarHBondContact O-CB 3.17Å; E863-L867 PolarHBondContact O-N 3.09Å; L864-L867 PolarHBondContact O-N 3.46Å; L867-Y870 WeakPolarHBondContact O-CB 3.15Å; L867-Y870 PolarHBondContact O-N 3.48Å; L867-I871 HydrophobicContact CD1-CD1 3.97Å; L867-I871 HydrophobicContact CD1-CG1 4.32Å; L867-I871 HydrophobicContact CG-CD1 3.94Å; L867-I871 WeakPolarHBondContact O-CG1 3.49Å; L867-I871 PolarHBondContact O-N 2.94Å |
| 868 | I | 94.5 | Very high | 91.4 | Very high | 1 Ų | 1 | 55.1 Ų | 55.1 | 1% | 0.005 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -59.1 | -48.6 | 175.3 | -70.5 | 171.2 | 0 | 0 | 0 | 110.5 | F846 F849 L850 L864 Y870 I871 L872 | F846-I868 HydrophobicContact CB-CD1 4.37Å; F846-I868 HydrophobicContact CB-CG1 4.49Å; F846-I868 HydrophobicContact CB-CG2 3.94Å; F846-I868 HydrophobicContact CD1-CD1 3.69Å; F846-I868 HydrophobicContact CD1-CG1 3.56Å; F846-I868 HydrophobicContact CD1-CG2 4.48Å; F846-I868 HydrophobicContact CD2-CG1 4.22Å; F846-I868 HydrophobicContact CD2-CG2 3.94Å; F846-I868 HydrophobicContact CE1-CD1 4.18Å; F846-I868 HydrophobicContact CE1-CG1 3.67Å; F846-I868 HydrophobicContact CE2-CG1 4.32Å; F846-I868 HydrophobicContact CG-CB 4.44Å; F846-I868 HydrophobicContact CG-CD1 4.11Å; F846-I868 HydrophobicContact CG-CG1 3.84Å; F846-I868 HydrophobicContact CG-CG2 3.89Å; F846-I868 HydrophobicContact CZ-CG1 4.05Å; F849-I868 HydrophobicContact CB-CD1 4.35Å; F849-I868 HydrophobicContact CD1-CD1 3.46Å; F849-I868 VanDerWaalsContact CD1-CD1 3.46Å; F849-I868 HydrophobicContact CE1-CD1 3.95Å; F849-I868 HydrophobicContact CG-CD1 4Å; L850-I868 HydrophobicContact CD1-CG2 3.91Å; L850-I868 HydrophobicContact CD2-CG2 4.45Å; L850-I868 HydrophobicContact CG-CG2 4.31Å; L864-I868 HydrophobicContact CD1-CD1 3.88Å; L864-I868 HydrophobicContact CD1-CG1 4.14Å; L864-I868 HydrophobicContact CG-CD1 3.85Å; L864-I868 HydrophobicContact CG-CG1 4.49Å; L864-I868 WeakPolarHBondContact O-CB 3.44Å; L864-I868 VanDerWaalsContact O-CG1 3.25Å; L864-I868 WeakPolarHBondContact O-CG1 3.45Å; L864-I868 PolarHBondContact O-N 3.17Å; I868-Y870 VanDerWaalsContact C-N 3.3Å; I868-Y870 PolarHBondContact O-N 2.8Å; I868-I871 PolarHBondContact O-N 3.43Å; I868-L872 HydrophobicContact CG2-CD1 3.7Å; I868-L872 HydrophobicContact CG2-CG 4.27Å; I868-L872 WeakPolarHBondContact O-CB 3.22Å; I868-L872 WeakPolarHBondContact O-CG 3.4Å; I868-L872 PolarHBondContact O-N 3.25Å |
| 869 | K | 93.4 | Very high | 91.7 | Very high | 124 Ų | 124 | 56.4 Ų | 56.4 | 54% | 0.539 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -60 | -37.4 | 176.4 | -73.4 | 168.9 | -176.8 | 177.5 | 0 | 112.6 | A865 N866 R873 | A865-K869 WeakPolarHBondContact O-CB 3.46Å; A865-K869 WeakPolarHBondContact O-CD 3.3Å; A865-K869 VanDerWaalsContact O-CG 3.24Å; A865-K869 WeakPolarHBondContact O-CG 3.49Å; A865-K869 PolarHBondContact O-N 3.42Å; A865-K869 VanDerWaalsContact O-N 3.08Å; N866-K869 PolarHBondContact O-N 2.95Å; K869-R873 WeakPolarHBondContact O-CB 3.38Å; K869-R873 PolarHBondContact O-N 2.82Å; K869-R873 VanDerWaalsContact O-N 3.08Å |
| 870 | Y | 95.1 | Very high | 91.9 | Very high | 57 Ų | 57 | 58.6 Ų | 58.6 | 22% | 0.224 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -65.6 | -49.5 | 175.5 | -179 | -83.7 | 0 | 0 | 0 | 111.8 | V829 T834 N866 L867 I868 R873 K874 | V829-Y870 HydrophobicContact CG1-CE2 4.37Å; V829-Y870 HydrophobicContact CG2-CD1 4.03Å; V829-Y870 HydrophobicContact CG2-CE1 3.75Å; V829-Y870 HydrophobicContact CG2-CE2 4.36Å; V829-Y870 HydrophobicContact CG2-CG 4.47Å; T834-Y870 HydrophobicContact CG2-CE1 3.82Å; N866-Y870 PolarHBondContact O-N 3.23Å; L867-Y870 WeakPolarHBondContact O-CB 3.15Å; L867-Y870 PolarHBondContact O-N 3.48Å; I868-Y870 VanDerWaalsContact C-N 3.3Å; I868-Y870 PolarHBondContact O-N 2.8Å; Y870-R873 PolarHBondContact O-N 3.28Å; Y870-K874 HydrophobicContact CD1-CG 4.32Å; Y870-K874 HydrophobicContact CE1-CG 3.89Å; Y870-K874 WeakPolarHBondContact O-CB 3.47Å; Y870-K874 WeakPolarHBondContact O-CG 3.31Å; Y870-K874 PolarHBondContact O-N 3.47Å |
| 871 | I | 94.7 | Very high | 92.1 | Very high | 0 Ų | 0 | 61.6 Ų | 61.6 | 0% | 0 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -64.8 | -44.9 | -178.6 | -65.5 | 168.4 | 0 | 0 | 0 | 110.6 | I824 F837 F838 F843 F846 L867 I868 K874 F875 | I824-I871 HydrophobicContact CG2-CD1 4.02Å; F837-I871 HydrophobicContact CB-CD1 4.24Å; F837-I871 HydrophobicContact CB-CG2 4.23Å; F838-I871 HydrophobicContact CD1-CG2 4.13Å; F838-I871 HydrophobicContact CE1-CG2 4.1Å; F843-I871 HydrophobicContact CE1-CG2 4.27Å; F846-I871 HydrophobicContact CE2-CB 4.3Å; F846-I871 HydrophobicContact CE2-CD1 4.38Å; F846-I871 HydrophobicContact CE2-CG2 4.05Å; F846-I871 HydrophobicContact CZ-CD1 4.06Å; L867-I871 HydrophobicContact CD1-CD1 3.97Å; L867-I871 HydrophobicContact CD1-CG1 4.32Å; L867-I871 HydrophobicContact CG-CD1 3.94Å; L867-I871 WeakPolarHBondContact O-CG1 3.49Å; L867-I871 PolarHBondContact O-N 2.94Å; I868-I871 PolarHBondContact O-N 3.43Å; I871-K874 PolarHBondContact O-N 3.01Å; I871-F875 PolarHBondContact O-N 3.2Å |
| 872 | L | 94.7 | Very high | 91.8 | Very high | 39 Ų | 39 | 61.7 Ų | 61.7 | 20% | 0.204 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -63.9 | -43.9 | 178.2 | -70.2 | 175.4 | 0 | 0 | 0 | 112.1 | F843 F846 L850 I868 K874 F875 F876 | F843-L872 HydrophobicContact CD1-CD2 4.36Å; F843-L872 HydrophobicContact CE1-CD2 4.3Å; F846-L872 HydrophobicContact CD2-CD2 4.33Å; F846-L872 HydrophobicContact CD2-CG 4.38Å; L850-L872 HydrophobicContact CD1-CD1 4Å; I868-L872 HydrophobicContact CG2-CD1 3.7Å; I868-L872 HydrophobicContact CG2-CG 4.27Å; I868-L872 WeakPolarHBondContact O-CB 3.22Å; I868-L872 WeakPolarHBondContact O-CG 3.4Å; I868-L872 PolarHBondContact O-N 3.25Å; L872-K874 VanDerWaalsContact C-N 3.32Å; L872-K874 PolarHBondContact O-N 3.02Å; L872-F875 WeakPolarHBondContact O-CB 3.5Å; L872-F875 PolarHBondContact O-N 3.41Å; L872-F875 VanDerWaalsContact O-N 3.15Å; L872-F876 HydrophobicContact CB-CE2 4.42Å; L872-F876 WeakPolarHBondContact O-CD2 3.36Å; L872-F876 PolarHBondContact O-N 3.11Å; L872-F876 VanDerWaalsContact O-N 3.11Å |
| 873 | R | 94.7 | Very high | 91.6 | Very high | 132 Ų | 132 | 61 Ų | 61 | 50% | 0.498 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -61.1 | -42.6 | 174.7 | -173.2 | -178.5 | 59.8 | -121.6 | -7.9 | 111.4 | K869 Y870 F875 F876 E877 | K869-R873 WeakPolarHBondContact O-CB 3.38Å; K869-R873 PolarHBondContact O-N 2.82Å; K869-R873 VanDerWaalsContact O-N 3.08Å; Y870-R873 PolarHBondContact O-N 3.28Å; R873-F875 VanDerWaalsContact C-N 3.26Å; R873-F875 PolarHBondContact O-N 3.3Å; R873-F876 PolarHBondContact O-N 2.96Å; R873-E877 HydrophobicContact CG-CG 4.33Å; R873-E877 IonicContact NE-OE1 3.67Å; R873-E877 WeakPolarHBondContact O-CB 3.49Å; R873-E877 VanDerWaalsContact O-CG 3.31Å; R873-E877 WeakPolarHBondContact O-CG 3.24Å; R873-E877 PolarHBondContact O-N 3.48Å |
| 874 | K | 92.9 | Very high | 91.3 | Very high | 54 Ų | 54 | 63.5 Ų | 63.5 | 24% | 0.235 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -67.7 | -23.3 | 176.8 | -78 | -78.6 | 178.1 | -103.5 | 0 | 113.8 | T834 F838 Y870 I871 L872 E877 A878 | T834-K874 HydrophobicContact CG2-CB 4.08Å; T834-K874 HydrophobicContact CG2-CG 4.15Å; F838-K874 HydrophobicContact CZ-CB 4.28Å; F838-K874 WeakPolarHBondContact CZ-O 3.5Å; Y870-K874 HydrophobicContact CD1-CG 4.32Å; Y870-K874 HydrophobicContact CE1-CG 3.89Å; Y870-K874 WeakPolarHBondContact O-CB 3.47Å; Y870-K874 WeakPolarHBondContact O-CG 3.31Å; Y870-K874 PolarHBondContact O-N 3.47Å; I871-K874 PolarHBondContact O-N 3.01Å; L872-K874 VanDerWaalsContact C-N 3.32Å; L872-K874 PolarHBondContact O-N 3.02Å; K874-E877 IonicContact NZ-OE1 3.2Å; K874-E877 PolarHBondContact NZ-OE1 3.34Å; K874-E877 IonicContact NZ-OE2 3.51Å; K874-E877 PolarHBondContact NZ-OE2 3.04Å; K874-A878 WeakPolarHBondContact O-CB 3.3Å; K874-A878 PolarHBondContact O-N 2.95Å |
| 875 | F | 94 | Very high | 90.9 | Very high | 12 Ų | 12 | 63 Ų | 63 | 5% | 0.053 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -69.7 | -51.7 | 169.9 | 175.4 | -100.5 | 0 | 0 | 0 | 110.9 | F838 F843 I871 L872 R873 E877 A878 E879 I885 L886 T889 | F838-F875 HydrophobicContact CB-CD2 4.06Å; F838-F875 HydrophobicContact CD1-CB 4.04Å; F838-F875 HydrophobicContact CD1-CD2 4.11Å; F838-F875 AromaticContact CD2-CD2 3.79Å; F838-F875 HydrophobicContact CD2-CD2 3.79Å; F838-F875 HydrophobicContact CE1-CB 3.83Å; F838-F875 HydrophobicContact CE2-CB 4.44Å; F838-F875 HydrophobicContact CE2-CD2 4.24Å; F838-F875 HydrophobicContact CG-CB 4.48Å; F838-F875 AromaticContact CG-CD2 3.74Å; F838-F875 HydrophobicContact CG-CD2 3.74Å; F838-F875 HydrophobicContact CZ-CB 4.07Å; F843-F875 HydrophobicContact CE2-CD1 4.15Å; F843-F875 AromaticContact CE2-CD2 3.81Å; F843-F875 HydrophobicContact CE2-CD2 3.81Å; F843-F875 HydrophobicContact CE2-CE1 4.27Å; F843-F875 AromaticContact CE2-CE2 3.93Å; F843-F875 HydrophobicContact CE2-CE2 3.93Å; F843-F875 AromaticContact CE2-CG 3.92Å; F843-F875 HydrophobicContact CE2-CG 3.92Å; F843-F875 HydrophobicContact CE2-CZ 4.15Å; F843-F875 HydrophobicContact CZ-CB 4.12Å; F843-F875 HydrophobicContact CZ-CD1 4.43Å; F843-F875 AromaticContact CZ-CD2 3.78Å; F843-F875 HydrophobicContact CZ-CD2 3.78Å; F843-F875 HydrophobicContact CZ-CE2 4.34Å; F843-F875 AromaticContact CZ-CG 3.83Å; F843-F875 HydrophobicContact CZ-CG 3.83Å; I871-F875 PolarHBondContact O-N 3.2Å; L872-F875 WeakPolarHBondContact O-CB 3.5Å; L872-F875 PolarHBondContact O-N 3.41Å; L872-F875 VanDerWaalsContact O-N 3.15Å; R873-F875 VanDerWaalsContact C-N 3.26Å; R873-F875 PolarHBondContact O-N 3.3Å; F875-E877 PolarHBondContact O-N 2.89Å; F875-A878 CarbonylContact O-C 3.6Å; F875-A878 PolarHBondContact O-N 3.31Å; F875-E879 PolarHBondContact O-N 3.42Å; F875-I885 HydrophobicContact CE2-CG1 4.38Å; F875-I885 HydrophobicContact CE2-CG2 3.94Å; F875-I885 HydrophobicContact CZ-CG2 4.26Å; F875-L886 HydrophobicContact CZ-CD2 4.1Å; F875-T889 HydrophobicContact CD2-CG2 4.49Å; F875-T889 HydrophobicContact CE2-CG2 3.47Å; F875-T889 VanDerWaalsContact CE2-CG2 3.47Å; F875-T889 HydrophobicContact CZ-CG2 3.84Å |
| 876 | F | 93.5 | Very high | 90.7 | Very high | 108 Ų | 108 | 66.8 Ų | 66.8 | 47% | 0.474 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -63.6 | -42 | 177.8 | -62.2 | -60.4 | 0 | 0 | 0 | 112.6 | L872 R873 A878 E879 E880 | L872-F876 HydrophobicContact CB-CE2 4.42Å; L872-F876 WeakPolarHBondContact O-CD2 3.36Å; L872-F876 PolarHBondContact O-N 3.11Å; L872-F876 VanDerWaalsContact O-N 3.11Å; R873-F876 PolarHBondContact O-N 2.96Å; F876-A878 PolarHBondContact O-N 3.2Å; F876-E879 WeakPolarHBondContact CD1-OE2 3.42Å; F876-E879 PolarHBondContact O-N 3.21Å; F876-E880 WeakPolarHBondContact O-CG 3.46Å; F876-E880 PolarHBondContact O-N 2.99Å; F876-E880 VanDerWaalsContact O-N 3.08Å |
| 877 | E | 91.3 | Very high | 90.5 | Very high | 49 Ų | 49 | 67.5 Ų | 67.5 | 23% | 0.229 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -57.8 | -18.1 | 172.2 | -75.2 | -180 | -124.7 | 0 | 0 | 114.2 | R873 K874 F875 R881 | R873-E877 HydrophobicContact CG-CG 4.33Å; R873-E877 IonicContact NE-OE1 3.67Å; R873-E877 WeakPolarHBondContact O-CB 3.49Å; R873-E877 VanDerWaalsContact O-CG 3.31Å; R873-E877 WeakPolarHBondContact O-CG 3.24Å; R873-E877 PolarHBondContact O-N 3.48Å; K874-E877 IonicContact NZ-OE1 3.2Å; K874-E877 PolarHBondContact NZ-OE1 3.34Å; K874-E877 IonicContact NZ-OE2 3.51Å; K874-E877 PolarHBondContact NZ-OE2 3.04Å; F875-E877 PolarHBondContact O-N 2.89Å; E877-R881 PolarHBondContact O-NE 2.88Å |
| 878 | A | 88.6 | Confident | 90.1 | Very high | 2 Ų | 2 | 68.9 Ų | 68.9 | 2% | 0.017 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -103.8 | -30.3 | 178.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | F838 K874 F875 F876 R881 N882 I885 V902 | F838-A878 HydrophobicContact CE2-CB 4.18Å; K874-A878 WeakPolarHBondContact O-CB 3.3Å; K874-A878 PolarHBondContact O-N 2.95Å; F875-A878 CarbonylContact O-C 3.6Å; F875-A878 PolarHBondContact O-N 3.31Å; F876-A878 PolarHBondContact O-N 3.2Å; A878-R881 PolarHBondContact O-N 3.46Å; A878-R881 VanDerWaalsContact O-N 3.15Å; A878-N882 PolarHBondContact O-N 2.85Å; A878-I885 HydrophobicContact CB-CD1 3.53Å; A878-V902 HydrophobicContact CB-CG1 4.44Å |
| 879 | E | 90.1 | Very high | 90 | Very high | 50 Ų | 50 | 69.5 Ų | 69.5 | 23% | 0.234 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -58.4 | -46.8 | 168.1 | -175.6 | 177.5 | -169.5 | 0 | 0 | 110.9 | F875 F876 R881 N882 N883 I885 | F875-E879 PolarHBondContact O-N 3.42Å; F876-E879 WeakPolarHBondContact CD1-OE2 3.42Å; F876-E879 PolarHBondContact O-N 3.21Å; E879-R881 PolarHBondContact O-N 3.42Å; E879-N882 CarbonylContact O-C 3.59Å; E879-N882 PolarHBondContact O-N 3.01Å; E879-N883 PolarHBondContact O-N 2.89Å; E879-N883 PolarHBondContact O-OD1 2.77Å; E879-I885 HydrophobicContact CB-CG2 3.91Å; E879-I885 HydrophobicContact CG-CG2 4.35Å |
| 880 | E | 88 | Confident | 89.8 | Confident | 163 Ų | 163 | 68.3 Ų | 68.3 | 76% | 0.762 | 31% | 0.311 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -52.3 | -21.7 | 173.9 | -73.4 | 173.1 | -178.3 | 0 | 0 | 114.2 | F876 | F876-E880 WeakPolarHBondContact O-CG 3.46Å; F876-E880 PolarHBondContact O-N 2.99Å; F876-E880 VanDerWaalsContact O-N 3.08Å |
| 881 | R | 84.9 | Confident | 89.4 | Confident | 149 Ų | 149 | 71.5 Ų | 71.5 | 56% | 0.562 | 33% | 0.326 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -102.8 | -23.9 | 179 | -52.5 | 176 | -164.4 | -157.2 | -5.5 | 113 | E877 A878 E879 | E877-R881 PolarHBondContact O-NE 2.88Å; A878-R881 PolarHBondContact O-N 3.46Å; A878-R881 VanDerWaalsContact O-N 3.15Å; E879-R881 PolarHBondContact O-N 3.42Å |
| 882 | N | 82.5 | Confident | 89 | Confident | 12 Ų | 12 | 75.9 Ų | 75.9 | 6% | 0.064 | 35% | 0.345 | C | S | . | . | trans | -157.4 | 81.9 | -164.9 | -174.7 | 16.3 | 0 | 0 | 0 | 111.5 | A878 E879 Y884 I885 T901 | A878-N882 PolarHBondContact O-N 2.85Å; E879-N882 CarbonylContact O-C 3.59Å; E879-N882 PolarHBondContact O-N 3.01Å; N882-Y884 PolarHBondContact O-N 2.94Å; N882-Y884 WeakPolarHBondContact OD1-CB 3.45Å; N882-Y884 WeakPolarHBondContact OD1-CD2 3.26Å; N882-I885 VanDerWaalsContact O-CB 3.25Å; N882-I885 WeakPolarHBondContact O-CB 3.28Å; N882-I885 VanDerWaalsContact O-CG2 3.3Å; N882-I885 WeakPolarHBondContact O-CG2 3.47Å; N882-I885 PolarHBondContact O-N 2.97Å; N882-T901 PolarHBondContact ND2-O 3.24Å | ||
| 883 | N | 84.8 | Confident | 88.5 | Confident | 119 Ų | 119 | 74.3 Ų | 74.3 | 64% | 0.636 | 34% | 0.337 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53.6 | -23.7 | 178.1 | -73.4 | 3.9 | 0 | 0 | 0 | 114.4 | E879 I885 L886 | E879-N883 PolarHBondContact O-N 2.89Å; E879-N883 PolarHBondContact O-OD1 2.77Å; N883-I885 PolarHBondContact O-N 3.17Å; N883-L886 PolarHBondContact O-N 2.97Å |
| 884 | Y | 84.9 | Confident | 88 | Confident | 151 Ų | 151 | 70.3 Ų | 70.3 | 59% | 0.592 | 33% | 0.327 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.2 | -17 | 175 | -60.7 | -70.4 | 0 | 0 | 0 | 113.2 | N882 L886 I887 E888 Y905 | N882-Y884 PolarHBondContact O-N 2.94Å; N882-Y884 WeakPolarHBondContact OD1-CB 3.45Å; N882-Y884 WeakPolarHBondContact OD1-CD2 3.26Å; Y884-L886 PolarHBondContact O-N 3.28Å; Y884-L886 VanDerWaalsContact O-N 3.09Å; Y884-I887 HydrophobicContact CD1-CD1 4.45Å; Y884-I887 PolarHBondContact O-N 2.82Å; Y884-E888 PolarHBondContact O-N 3.18Å; Y884-Y905 HydrophobicContact CD2-CE2 4.15Å; Y884-Y905 HydrophobicContact CG-CE2 4.24Å |
| 885 | I | 86.9 | Confident | 87.3 | Confident | 0 Ų | 0 | 70 Ų | 70 | 0% | 0 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -59 | -24.2 | 179.1 | -150.4 | 168.2 | 0 | 0 | 0 | 112.9 | F838 F875 A878 E879 N882 N883 E888 T889 T901 | F838-I885 HydrophobicContact CD2-CD1 3.59Å; F838-I885 HydrophobicContact CD2-CG1 4.13Å; F838-I885 HydrophobicContact CE2-CD1 3.66Å; F875-I885 HydrophobicContact CE2-CG1 4.38Å; F875-I885 HydrophobicContact CE2-CG2 3.94Å; F875-I885 HydrophobicContact CZ-CG2 4.26Å; A878-I885 HydrophobicContact CB-CD1 3.53Å; E879-I885 HydrophobicContact CB-CG2 3.91Å; E879-I885 HydrophobicContact CG-CG2 4.35Å; N882-I885 VanDerWaalsContact O-CB 3.25Å; N882-I885 WeakPolarHBondContact O-CB 3.28Å; N882-I885 VanDerWaalsContact O-CG2 3.3Å; N882-I885 WeakPolarHBondContact O-CG2 3.47Å; N882-I885 PolarHBondContact O-N 2.97Å; N883-I885 PolarHBondContact O-N 3.17Å; I885-E888 WeakPolarHBondContact O-CB 3.22Å; I885-E888 PolarHBondContact O-N 3.31Å; I885-T889 VanDerWaalsContact O-CG2 3.31Å; I885-T889 WeakPolarHBondContact O-CG2 3.44Å; I885-T889 PolarHBondContact O-N 2.97Å; I885-T889 VanDerWaalsContact O-N 3.16Å; I885-T901 WeakPolarHBondContact CD1-O 3.29Å |
| 886 | L | 88 | Confident | 86.7 | Confident | 83 Ų | 83 | 73.9 Ų | 73.9 | 44% | 0.435 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -61.7 | -49.6 | 172.7 | -70.5 | 165.6 | 0 | 0 | 0 | 111.9 | F875 N883 Y884 E888 T889 | F875-L886 HydrophobicContact CZ-CD2 4.1Å; N883-L886 PolarHBondContact O-N 2.97Å; Y884-L886 PolarHBondContact O-N 3.28Å; Y884-L886 VanDerWaalsContact O-N 3.09Å; L886-E888 VanDerWaalsContact C-N 3.31Å; L886-E888 PolarHBondContact O-N 2.99Å; L886-T889 WeakPolarHBondContact O-CB 3.38Å; L886-T889 PolarHBondContact O-N 2.83Å; L886-T889 PolarHBondContact O-OG1 2.98Å |
| 887 | I | 89 | Confident | 86.2 | Confident | 102 Ų | 102 | 71.8 Ų | 71.8 | 52% | 0.523 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -63.8 | -42.5 | 177.5 | -57.5 | 176.4 | 0 | 0 | 0 | 109.6 | Y884 T889 L890 F891 | Y884-I887 HydrophobicContact CD1-CD1 4.45Å; Y884-I887 PolarHBondContact O-N 2.82Å; I887-T889 PolarHBondContact O-N 3.49Å; I887-T889 VanDerWaalsContact O-N 3.17Å; I887-L890 VanDerWaalsContact O-CB 3.31Å; I887-L890 WeakPolarHBondContact O-CB 3.24Å; I887-L890 WeakPolarHBondContact O-CG 3.35Å; I887-L890 PolarHBondContact O-N 3.39Å; I887-F891 HydrophobicContact CG2-CE2 4.39Å |
| 888 | E | 86.8 | Confident | 85.8 | Confident | 40 Ų | 40 | 69.5 Ų | 69.5 | 19% | 0.187 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -60 | -22 | 176.6 | -74.2 | -78.3 | 178.6 | 0 | 0 | 113.3 | Y884 I885 L886 L890 F891 K893 T901 Y905 | Y884-E888 PolarHBondContact O-N 3.18Å; I885-E888 WeakPolarHBondContact O-CB 3.22Å; I885-E888 PolarHBondContact O-N 3.31Å; L886-E888 VanDerWaalsContact C-N 3.31Å; L886-E888 PolarHBondContact O-N 2.99Å; E888-L890 PolarHBondContact O-N 2.92Å; E888-L890 VanDerWaalsContact O-N 3.14Å; E888-F891 PolarHBondContact O-N 3.48Å; E888-F891 VanDerWaalsContact O-N 3.13Å; E888-F891 VanDerWaalsContact O-O 3.08Å; E888-K893 PolarHBondContact O-NZ 3.42Å; E888-T901 HydrophobicContact CB-CG2 4.16Å; E888-T901 VanDerWaalsContact CD-CG2 3.47Å; E888-T901 HydrophobicContact CG-CG2 3.61Å; E888-Y905 VanDerWaalsContact CD-OH 3.31Å; E888-Y905 WeakPolarHBondContact CG-OH 3.22Å; E888-Y905 PolarHBondContact OE1-OH 3.47Å |
| 889 | T | 90.5 | Very high | 85.4 | Confident | 13 Ų | 13 | 74.2 Ų | 74.2 | 8% | 0.08 | 35% | 0.347 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -65 | -12.3 | 173.6 | 70.2 | 0 | 0 | 0 | 0 | 114.1 | Q839 L840 F843 F875 I885 L886 I887 | Q839-T889 PolarHBondContact OE1-O 3.08Å; Q839-T889 VanDerWaalsContact OE1-O 3.06Å; L840-T889 VanDerWaalsContact CB-O 3.32Å; L840-T889 WeakPolarHBondContact CB-O 3.45Å; L840-T889 PolarHBondContact N-O 3.06Å; F843-T889 HydrophobicContact CE2-CG2 4.15Å; F875-T889 HydrophobicContact CD2-CG2 4.49Å; F875-T889 HydrophobicContact CE2-CG2 3.47Å; F875-T889 VanDerWaalsContact CE2-CG2 3.47Å; F875-T889 HydrophobicContact CZ-CG2 3.84Å; I885-T889 VanDerWaalsContact O-CG2 3.31Å; I885-T889 WeakPolarHBondContact O-CG2 3.44Å; I885-T889 PolarHBondContact O-N 2.97Å; I885-T889 VanDerWaalsContact O-N 3.16Å; L886-T889 WeakPolarHBondContact O-CB 3.38Å; L886-T889 PolarHBondContact O-N 2.83Å; L886-T889 PolarHBondContact O-OG1 2.98Å; I887-T889 PolarHBondContact O-N 3.49Å; I887-T889 VanDerWaalsContact O-N 3.17Å |
| 890 | L | 89.1 | Confident | 85 | Confident | 100 Ų | 100 | 73.3 Ų | 73.3 | 52% | 0.524 | 34% | 0.342 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -81 | -20.5 | 175.6 | -57.4 | 174.3 | 0 | 0 | 0 | 112.5 | L840 I887 E888 | L840-L890 HydrophobicContact CD2-CD2 3.76Å; I887-L890 VanDerWaalsContact O-CB 3.31Å; I887-L890 WeakPolarHBondContact O-CB 3.24Å; I887-L890 WeakPolarHBondContact O-CG 3.35Å; I887-L890 PolarHBondContact O-N 3.39Å; E888-L890 PolarHBondContact O-N 2.92Å; E888-L890 VanDerWaalsContact O-N 3.14Å |
| 891 | F | 88.4 | Confident | 84.6 | Confident | 124 Ų | 124 | 65.5 Ų | 65.5 | 54% | 0.544 | 31% | 0.306 | S | S | . | . | S | Bend | trans | -118.8 | 141.7 | -169.9 | -57.3 | -73.9 | 0 | 0 | 0 | 112 | Q839 I887 E888 K893 | Q839-F891 PolarHBondContact OE1-O 3.35Å; I887-F891 HydrophobicContact CG2-CE2 4.39Å; E888-F891 PolarHBondContact O-N 3.48Å; E888-F891 VanDerWaalsContact O-N 3.13Å; E888-F891 VanDerWaalsContact O-O 3.08Å; F891-K893 PolarHBondContact O-N 3.42Å |
| 892 | F | 84.9 | Confident | 84.4 | Confident | 91 Ų | 91 | 59.7 Ų | 59.7 | 40% | 0.399 | 29% | 0.287 | S | S | . | . | P | Polyproline II helix | trans | -77 | 124.1 | 173.8 | -64.4 | -89.9 | 0 | 0 | 0 | 110.3 | P796 H800 Q839 | P796-F892 HydrophobicContact CB-CB 3.63Å; P796-F892 HydrophobicContact CB-CD1 4.25Å; P796-F892 HydrophobicContact CB-CG 4.04Å; P796-F892 HydrophobicContact CG-CB 3.91Å; H800-F892 HydrophobicContact CB-CE1 3.91Å; H800-F892 HydrophobicContact CB-CZ 4.04Å; Q839-F892 HydrophobicContact CG-CD1 4.27Å; Q839-F892 HydrophobicContact CG-CE1 4.08Å |
| 893 | K | 84.7 | Confident | 84 | Confident | 7 Ų | 7 | 63 Ų | 63 | 3% | 0.03 | 30% | 0.302 | C | S | . | . | P | Polyproline II helix | trans | -85.2 | 145 | 175.6 | -65.1 | 88.5 | 167.5 | 170.2 | 0 | 112.7 | F838 E888 F891 E897 | F838-K893 PolarHBondContact O-NZ 3.4Å; E888-K893 PolarHBondContact O-NZ 3.42Å; F891-K893 PolarHBondContact O-N 3.42Å; K893-E897 HydrophobicContact CB-CB 3.92Å; K893-E897 HydrophobicContact CG-CB 4.01Å |
| 894 | T | 83.9 | Confident | 83.3 | Confident | 48 Ų | 48 | 58 Ų | 58 | 29% | 0.294 | 28% | 0.279 | S | S | . | . | P | Polyproline II helix | trans | -72.7 | 168 | 155.4 | 63.9 | 0 | 0 | 0 | 0 | 111.2 | K896 E897 S898 | T894-K896 PolarHBondContact O-N 3.05Å; T894-E897 VanDerWaalsContact CB-OE2 3.25Å; T894-E897 WeakPolarHBondContact CB-OE2 3.12Å; T894-E897 VanDerWaalsContact CG2-OE2 3.27Å; T894-E897 WeakPolarHBondContact CG2-OE2 3.42Å; T894-E897 PolarHBondContact N-OE2 2.95Å; T894-E897 PolarHBondContact O-N 2.9Å; T894-E897 PolarHBondContact OG1-N 3.38Å; T894-E897 PolarHBondContact OG1-OE2 3.48Å; T894-S898 WeakPolarHBondContact O-CB 3.44Å; T894-S898 PolarHBondContact O-N 3.33Å |
| 895 | P | 79.4 | Confident | 82.4 | Confident | 46 Ų | 46 | 56.4 Ų | 56.4 | 30% | 0.299 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -54.5 | -37.6 | 176.5 | -26.1 | 33.8 | 0 | 0 | 0 | 113.5 | V794 S898 Y899 | V794-P895 HydrophobicContact CB-CG 4.07Å; V794-P895 HydrophobicContact CG1-CB 4.42Å; V794-P895 HydrophobicContact CG1-CG 3.79Å; P895-S898 PolarHBondContact O-N 2.9Å; P895-S898 PolarHBondContact O-OG 3.42Å; P895-Y899 PolarHBondContact O-N 3.28Å |
| 896 | K | 80.5 | Confident | 81.2 | Confident | 94 Ų | 94 | 59.2 Ų | 59.2 | 41% | 0.409 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -66.4 | -54.5 | 178.5 | -171.3 | -166.5 | 172.7 | -142.3 | 0 | 111.6 | T894 S898 Y899 E900 F908 | T894-K896 PolarHBondContact O-N 3.05Å; K896-S898 PolarHBondContact O-N 2.87Å; K896-Y899 WeakPolarHBondContact O-CB 3.44Å; K896-Y899 PolarHBondContact O-N 3.04Å; K896-E900 VanDerWaalsContact CE-CD 3.43Å; K896-E900 WeakPolarHBondContact CE-OE1 3.4Å; K896-E900 IonicContact NZ-OE1 3.78Å; K896-E900 PolarHBondContact NZ-OE1 3.05Å; K896-E900 IonicContact NZ-OE2 3.53Å; K896-E900 PolarHBondContact NZ-OE2 2.76Å; K896-E900 PolarHBondContact O-N 3.38Å; K896-E900 VanDerWaalsContact O-N 3.1Å; K896-F908 HydrophobicContact CD-CD1 4.45Å; K896-F908 HydrophobicContact CG-CD1 4.42Å; K896-F908 HydrophobicContact CG-CD2 4.26Å; K896-F908 HydrophobicContact CG-CE1 4.47Å; K896-F908 HydrophobicContact CG-CE2 4.31Å; K896-F908 HydrophobicContact CG-CG 4.32Å; K896-F908 HydrophobicContact CG-CZ 4.42Å |
| 897 | E | 83 | Confident | 79.8 | Confident | 64 Ų | 64 | 58.3 Ų | 58.3 | 30% | 0.299 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -60 | -30.2 | 179.6 | -68.6 | 148.8 | 169.9 | 0 | 0 | 111.2 | K893 T894 Y899 E900 T901 | K893-E897 HydrophobicContact CB-CB 3.92Å; K893-E897 HydrophobicContact CG-CB 4.01Å; T894-E897 VanDerWaalsContact CB-OE2 3.25Å; T894-E897 WeakPolarHBondContact CB-OE2 3.12Å; T894-E897 VanDerWaalsContact CG2-OE2 3.27Å; T894-E897 WeakPolarHBondContact CG2-OE2 3.42Å; T894-E897 PolarHBondContact N-OE2 2.95Å; T894-E897 PolarHBondContact O-N 2.9Å; T894-E897 PolarHBondContact OG1-N 3.38Å; T894-E897 PolarHBondContact OG1-OE2 3.48Å; E897-Y899 VanDerWaalsContact C-N 3.33Å; E897-Y899 PolarHBondContact O-N 3.13Å; E897-E900 PolarHBondContact O-N 3.14Å; E897-T901 WeakPolarHBondContact O-CB 3.4Å; E897-T901 WeakPolarHBondContact O-CG2 3.42Å; E897-T901 PolarHBondContact O-N 3.27Å; E897-T901 PolarHBondContact O-OG1 2.94Å |
| 898 | S | 82.2 | Confident | 78 | Confident | 2 Ų | 2 | 57.6 Ų | 57.6 | 1% | 0.014 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -68.2 | -28.3 | 175 | 85.1 | 0 | 0 | 0 | 0 | 114.4 | C836 T894 P895 K896 T901 V902 | C836-S898 WeakPolarHBondContact SG-CB 3.48Å; C836-S898 PolarHBondContact SG-OG 2.9Å; C836-S898 VanDerWaalsContact SG-OG 3.34Å; T894-S898 WeakPolarHBondContact O-CB 3.44Å; T894-S898 PolarHBondContact O-N 3.33Å; P895-S898 PolarHBondContact O-N 2.9Å; P895-S898 PolarHBondContact O-OG 3.42Å; K896-S898 PolarHBondContact O-N 2.87Å; S898-T901 WeakPolarHBondContact CA-OG1 3.25Å; S898-T901 PolarHBondContact O-OG1 3.06Å; S898-V902 WeakPolarHBondContact O-CG2 3.44Å |
| 899 | Y | 80.9 | Confident | 75.9 | Confident | 101 Ų | 101 | 63.5 Ų | 63.5 | 40% | 0.396 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -78.5 | -47.4 | 173.8 | -173.2 | -85 | 0 | 0 | 0 | 110.2 | P895 K896 E897 T901 V902 Q903 F908 | P895-Y899 PolarHBondContact O-N 3.28Å; K896-Y899 WeakPolarHBondContact O-CB 3.44Å; K896-Y899 PolarHBondContact O-N 3.04Å; E897-Y899 VanDerWaalsContact C-N 3.33Å; E897-Y899 PolarHBondContact O-N 3.13Å; Y899-T901 VanDerWaalsContact C-N 3.32Å; Y899-T901 PolarHBondContact O-N 2.97Å; Y899-V902 PolarHBondContact O-N 2.93Å; Y899-Q903 HydrophobicContact CD1-CB 4.47Å; Y899-Q903 HydrophobicContact CD1-CG 4.27Å; Y899-Q903 HydrophobicContact CE1-CB 4.19Å; Y899-Q903 HydrophobicContact CE1-CG 3.91Å; Y899-Q903 HydrophobicContact CE2-CG 4.18Å; Y899-Q903 WeakPolarHBondContact O-CB 3.5Å; Y899-Q903 PolarHBondContact O-N 3.13Å; Y899-Q903 PolarHBondContact OH-NE2 2.9Å; Y899-F908 AromaticContact CD1-CD2 3.77Å; Y899-F908 HydrophobicContact CD1-CD2 3.77Å; Y899-F908 HydrophobicContact CE1-CD2 4.36Å; Y899-F908 HydrophobicContact CG-CD2 4.24Å |
| 900 | E | 82.3 | Confident | 73.5 | Confident | 30 Ų | 30 | 64.5 Ų | 64.5 | 14% | 0.14 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -60.1 | -38.6 | 177.5 | -69.8 | 174.9 | 147.6 | 0 | 0 | 111.8 | K896 E897 G904 Y905 F908 | K896-E900 VanDerWaalsContact CE-CD 3.43Å; K896-E900 WeakPolarHBondContact CE-OE1 3.4Å; K896-E900 IonicContact NZ-OE1 3.78Å; K896-E900 PolarHBondContact NZ-OE1 3.05Å; K896-E900 IonicContact NZ-OE2 3.53Å; K896-E900 PolarHBondContact NZ-OE2 2.76Å; K896-E900 PolarHBondContact O-N 3.38Å; K896-E900 VanDerWaalsContact O-N 3.1Å; E897-E900 PolarHBondContact O-N 3.14Å; E900-G904 CarbonylContact O-C 3.58Å; E900-G904 VanDerWaalsContact O-CA 3.23Å; E900-G904 WeakPolarHBondContact O-CA 3.23Å; E900-G904 PolarHBondContact O-N 3.01Å; E900-G904 VanDerWaalsContact O-O 3.14Å; E900-Y905 PolarHBondContact O-N 3.4Å; E900-F908 HydrophobicContact CG-CB 3.65Å; E900-F908 WeakPolarHBondContact OE1-CB 3.16Å |
| 901 | T | 79.4 | Confident | 71 | Confident | 0 Ų | 0 | 67.4 Ų | 67.4 | 0% | 0 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -71.7 | -31.9 | 177.6 | 46.6 | 0 | 0 | 0 | 0 | 114 | N882 I885 E888 E897 S898 Y899 Y905 | N882-T901 PolarHBondContact ND2-O 3.24Å; I885-T901 WeakPolarHBondContact CD1-O 3.29Å; E888-T901 HydrophobicContact CB-CG2 4.16Å; E888-T901 VanDerWaalsContact CD-CG2 3.47Å; E888-T901 HydrophobicContact CG-CG2 3.61Å; E897-T901 WeakPolarHBondContact O-CB 3.4Å; E897-T901 WeakPolarHBondContact O-CG2 3.42Å; E897-T901 PolarHBondContact O-N 3.27Å; E897-T901 PolarHBondContact O-OG1 2.94Å; S898-T901 WeakPolarHBondContact CA-OG1 3.25Å; S898-T901 PolarHBondContact O-OG1 3.06Å; Y899-T901 VanDerWaalsContact C-N 3.32Å; Y899-T901 PolarHBondContact O-N 2.97Å; T901-Y905 HydrophobicContact CG2-CE1 4.27Å |
| 902 | V | 80 | Confident | 68.7 | Low | 26 Ų | 26 | 65 Ų | 65 | 16% | 0.158 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -81 | -36.3 | 179.2 | 171.2 | 0 | 0 | 0 | 0 | 112.9 | F838 A878 S898 Y899 | F838-V902 HydrophobicContact CE2-CG2 3.78Å; F838-V902 HydrophobicContact CZ-CG2 4.39Å; A878-V902 HydrophobicContact CB-CG1 4.44Å; S898-V902 WeakPolarHBondContact O-CG2 3.44Å; Y899-V902 PolarHBondContact O-N 2.93Å |
| 903 | Q | 75.1 | Confident | 66.7 | Low | 82 Ų | 82 | 70.4 Ų | 70.4 | 38% | 0.383 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -99.3 | -17.1 | -174.7 | -64.9 | -85 | 62.4 | 0 | 0 | 113 | Y899 T907 | Y899-Q903 HydrophobicContact CD1-CB 4.47Å; Y899-Q903 HydrophobicContact CD1-CG 4.27Å; Y899-Q903 HydrophobicContact CE1-CB 4.19Å; Y899-Q903 HydrophobicContact CE1-CG 3.91Å; Y899-Q903 HydrophobicContact CE2-CG 4.18Å; Y899-Q903 WeakPolarHBondContact O-CB 3.5Å; Y899-Q903 PolarHBondContact O-N 3.13Å; Y899-Q903 PolarHBondContact OH-NE2 2.9Å; Q903-T907 HydrophobicContact CB-CG2 4.47Å; Q903-T907 WeakPolarHBondContact CB-OG1 3.02Å; Q903-T907 WeakPolarHBondContact O-CG2 3.36Å |
| 904 | G | 69 | Low | 64.9 | Low | 14 Ų | 14 | 74.1 Ų | 74.1 | 14% | 0.144 | 38% | 0.38 | C | S | . | . | trans | 110.8 | 140.3 | -175.2 | 0 | 0 | 0 | 0 | 0 | 111.7 | E900 G906 T907 | E900-G904 CarbonylContact O-C 3.58Å; E900-G904 VanDerWaalsContact O-CA 3.23Å; E900-G904 WeakPolarHBondContact O-CA 3.23Å; E900-G904 PolarHBondContact O-N 3.01Å; E900-G904 VanDerWaalsContact O-O 3.14Å; G904-G906 PolarHBondContact O-N 2.91Å; G904-T907 WeakPolarHBondContact O-CB 3.3Å; G904-T907 WeakPolarHBondContact O-CG2 3.45Å; G904-T907 PolarHBondContact O-N 3.11Å; G904-T907 VanDerWaalsContact O-N 3.13Å; G904-T907 PolarHBondContact O-OG1 3.03Å | ||
| 905 | Y | 66.1 | Low | 63.5 | Low | 118 Ų | 118 | 74.3 Ų | 74.3 | 46% | 0.463 | 38% | 0.378 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -58.7 | 136.3 | 179.9 | -60.2 | -80.5 | 0 | 0 | 0 | 111.1 | Y884 E888 E900 T901 T907 | Y884-Y905 HydrophobicContact CD2-CE2 4.15Å; Y884-Y905 HydrophobicContact CG-CE2 4.24Å; E888-Y905 VanDerWaalsContact CD-OH 3.31Å; E888-Y905 WeakPolarHBondContact CG-OH 3.22Å; E888-Y905 PolarHBondContact OE1-OH 3.47Å; E900-Y905 PolarHBondContact O-N 3.4Å; T901-Y905 HydrophobicContact CG2-CE1 4.27Å; Y905-T907 VanDerWaalsContact C-N 3.33Å |
| 906 | G | 61.6 | Low | 62.6 | Low | 58 Ų | 58 | 79 Ų | 79 | 60% | 0.598 | 40% | 0.396 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 87.1 | -14.2 | -176.3 | 0 | 0 | 0 | 0 | 0 | 115.2 | G904 F908 | G904-G906 PolarHBondContact O-N 2.91Å; G906-F908 PolarHBondContact O-N 3.16Å; G906-F908 VanDerWaalsContact O-N 3.17Å |
| 907 | T | 58.9 | Low | 62.1 | Low | 65 Ų | 65 | 77.5 Ų | 77.5 | 40% | 0.399 | 39% | 0.388 | S | S | . | . | trans | -70.6 | -6.2 | 175.7 | 62 | 0 | 0 | 0 | 0 | 114.4 | Q903 G904 Y905 E909 | Q903-T907 HydrophobicContact CB-CG2 4.47Å; Q903-T907 WeakPolarHBondContact CB-OG1 3.02Å; Q903-T907 WeakPolarHBondContact O-CG2 3.36Å; G904-T907 WeakPolarHBondContact O-CB 3.3Å; G904-T907 WeakPolarHBondContact O-CG2 3.45Å; G904-T907 PolarHBondContact O-N 3.11Å; G904-T907 VanDerWaalsContact O-N 3.13Å; G904-T907 PolarHBondContact O-OG1 3.03Å; Y905-T907 VanDerWaalsContact C-N 3.33Å; T907-E909 PolarHBondContact O-N 3.5Å | ||
| 908 | F | 50.9 | Low | 61.8 | Low | 87 Ų | 87 | 76.1 Ų | 76.1 | 38% | 0.382 | 38% | 0.384 | S | S | . | . | trans | -78.3 | 65.3 | 164.7 | -158 | -88.4 | 0 | 0 | 0 | 109.8 | K896 Y899 E900 G906 S910 | K896-F908 HydrophobicContact CD-CD1 4.45Å; K896-F908 HydrophobicContact CG-CD1 4.42Å; K896-F908 HydrophobicContact CG-CD2 4.26Å; K896-F908 HydrophobicContact CG-CE1 4.47Å; K896-F908 HydrophobicContact CG-CE2 4.31Å; K896-F908 HydrophobicContact CG-CG 4.32Å; K896-F908 HydrophobicContact CG-CZ 4.42Å; Y899-F908 AromaticContact CD1-CD2 3.77Å; Y899-F908 HydrophobicContact CD1-CD2 3.77Å; Y899-F908 HydrophobicContact CE1-CD2 4.36Å; Y899-F908 HydrophobicContact CG-CD2 4.24Å; E900-F908 HydrophobicContact CG-CB 3.65Å; E900-F908 WeakPolarHBondContact OE1-CB 3.16Å; G906-F908 PolarHBondContact O-N 3.16Å; G906-F908 VanDerWaalsContact O-N 3.17Å; F908-S910 PolarHBondContact O-N 3.39Å | ||
| 909 | E | 42.9 | Very low | 61.4 | Low | 164 Ų | 164 | 79.6 Ų | 79.6 | 77% | 0.766 | 41% | 0.408 | S | S | * | . | trans | -63.9 | 90.2 | 164.9 | -74.8 | -162.6 | 148.7 | 0 | 0 | 108.8 | T907 N911 | T907-E909 PolarHBondContact O-N 3.5Å; E909-N911 PolarHBondContact O-N 2.9Å; E909-N911 VanDerWaalsContact O-N 3.08Å | ||
| 910 | S | 40.5 | Very low | 61.3 | Low | 34 Ų | 34 | 81.6 Ų | 81.6 | 24% | 0.238 | 42% | 0.421 | C | S | . | . | trans | -57.9 | 116.5 | 163.2 | 58.4 | 0 | 0 | 0 | 0 | 107.5 | F908 K912 T914 | F908-S910 PolarHBondContact O-N 3.39Å; S910-K912 PolarHBondContact O-N 3.35Å; S910-K912 PolarHBondContact OG-O 2.98Å; S910-T914 WeakPolarHBondContact OG-CB 3.42Å; S910-T914 WeakPolarHBondContact OG-CG2 3.13Å; S910-T914 PolarHBondContact OG-OG1 3.39Å | ||
| 911 | N | 37.3 | Very low | 61.3 | Low | 160 Ų | 160 | 81.9 Ų | 81.9 | 86% | 0.856 | 42% | 0.422 | S | S | * | . | S | Bend | trans | -74.2 | 49 | 172 | -105.3 | -60.6 | 0 | 0 | 0 | 111.3 | E909 | E909-N911 PolarHBondContact O-N 2.9Å; E909-N911 VanDerWaalsContact O-N 3.08Å |
| 912 | K | 40.4 | Very low | 61.4 | Low | 73 Ų | 73 | 83 Ų | 83 | 32% | 0.317 | 43% | 0.428 | S | S | . | . | S | Bend | trans | -162.6 | 152 | -174.7 | -71.8 | -168.8 | -179.9 | -177.7 | 0 | 107.1 | S755 S756 S910 T914 | S755-K912 VanDerWaalsContact O-CE 3.28Å; S755-K912 WeakPolarHBondContact O-CE 3.48Å; S755-K912 PolarHBondContact O-NZ 2.86Å; S755-K912 WeakPolarHBondContact OG-CE 3.33Å; S756-K912 VanDerWaalsContact CA-NZ 3.27Å; S756-K912 PolarHBondContact OG-NZ 2.98Å; S910-K912 PolarHBondContact O-N 3.35Å; S910-K912 PolarHBondContact OG-O 2.98Å; K912-T914 VanDerWaalsContact C-N 3.27Å; K912-T914 PolarHBondContact O-N 2.69Å |
| 913 | K | 41.7 | Very low | 61.6 | Low | 205 Ų | 205 | 87.7 Ų | 87.7 | 89% | 0.891 | 45% | 0.447 | S | S | * | . | trans | -73.2 | 73.5 | 176.6 | -59.6 | -179.8 | -178.9 | -177.4 | 0 | 111.9 | ||||
| 914 | T | 46.2 | Very low | 62.1 | Low | 86 Ų | 86 | 85.4 Ų | 85.4 | 53% | 0.528 | 44% | 0.436 | S | S | . | . | trans | -82.2 | 131.2 | 165.5 | 75.1 | 0 | 0 | 0 | 0 | 109 | S910 K912 H916 | S910-T914 WeakPolarHBondContact OG-CB 3.42Å; S910-T914 WeakPolarHBondContact OG-CG2 3.13Å; S910-T914 PolarHBondContact OG-OG1 3.39Å; K912-T914 VanDerWaalsContact C-N 3.27Å; K912-T914 PolarHBondContact O-N 2.69Å; T914-H916 PolarHBondContact O-N 3.44Å | ||
| 915 | I | 55.2 | Low | 63 | Low | 52 Ų | 52 | 84.8 Ų | 84.8 | 27% | 0.267 | 43% | 0.429 | S | S | . | . | trans | -90.6 | 109.5 | -163.5 | -48.1 | -177.1 | 0 | 0 | 0 | 109.8 | W917 S955 K956 | I915-W917 PolarHBondContact O-N 2.83Å; I915-W917 PolarHBondContact O-NE1 3.24Å; I915-S955 VanDerWaalsContact CD1-O 3.29Å; I915-S955 WeakPolarHBondContact CD1-O 3.18Å; I915-S955 WeakPolarHBondContact CG2-OG 3.45Å; I915-K956 HydrophobicContact CB-CD 4.26Å; I915-K956 HydrophobicContact CG2-CD 3.86Å; I915-K956 PolarHBondContact O-NZ 2.87Å | ||
| 916 | H | 61.3 | Low | 63.9 | Low | 145 Ų | 145 | 81.1 Ų | 81.1 | 67% | 0.671 | 42% | 0.419 | S | S | * | . | trans | -45.6 | 124.6 | -174.9 | -178 | 80.7 | 0 | 0 | 0 | 113.7 | T914 K956 | T914-H916 PolarHBondContact O-N 3.44Å; H916-K956 VanDerWaalsContact C-NZ 3.33Å; H916-K956 PolarHBondContact O-NZ 2.97Å | ||
| 917 | W | 68.7 | Low | 65.1 | Low | 61 Ų | 61 | 85 Ų | 85 | 23% | 0.231 | 42% | 0.422 | C | S | . | . | trans | -107.7 | 138.1 | 175.6 | -71.8 | 85 | 0 | 0 | 0 | 109.4 | I915 H921 L925 F951 K956 Q960 I961 R964 | I915-W917 PolarHBondContact O-N 2.83Å; I915-W917 PolarHBondContact O-NE1 3.24Å; W917-H921 HydrophobicContact CE3-CB 3.9Å; W917-H921 HydrophobicContact CZ3-CB 4.38Å; W917-L925 HydrophobicContact CH2-CD2 4.36Å; W917-L925 HydrophobicContact CZ3-CD2 4.14Å; W917-F951 HydrophobicContact CE3-CZ 4.43Å; W917-F951 HydrophobicContact CH2-CE1 4.34Å; W917-F951 HydrophobicContact CH2-CZ 4.32Å; W917-F951 AromaticContact CZ3-CE1 3.99Å; W917-F951 HydrophobicContact CZ3-CE1 3.99Å; W917-F951 AromaticContact CZ3-CZ 3.64Å; W917-F951 HydrophobicContact CZ3-CZ 3.64Å; W917-K956 VanDerWaalsContact CD1-NZ 3.33Å; W917-K956 HydrophobicContact CD2-CD 4.49Å; W917-K956 VanDerWaalsContact CD2-NZ 3.33Å; W917-K956 VanDerWaalsContact CG-NZ 3.3Å; W917-K956 HydrophobicContact CH2-CD 4.23Å; W917-K956 HydrophobicContact CH2-CG 4.2Å; W917-K956 HydrophobicContact CZ2-CD 3.76Å; W917-K956 HydrophobicContact CZ2-CG 4.19Å; W917-Q960 HydrophobicContact CZ2-CB 4.06Å; W917-I961 HydrophobicContact CH2-CG1 3.85Å; W917-R964 HydrophobicContact CD2-CG 4.29Å; W917-R964 HydrophobicContact CE3-CG 4Å; W917-R964 HydrophobicContact CH2-CB 3.97Å; W917-R964 HydrophobicContact CH2-CG 4.21Å; W917-R964 HydrophobicContact CZ2-CB 4.1Å; W917-R964 HydrophobicContact CZ2-CG 4.45Å; W917-R964 HydrophobicContact CZ3-CB 4.24Å; W917-R964 HydrophobicContact CZ3-CG 3.97Å | ||
| 918 | T | 78.1 | Confident | 66.3 | Low | 36 Ų | 36 | 83.3 Ų | 83.3 | 22% | 0.221 | 41% | 0.41 | C | S | . | . | trans | -111.3 | 166.6 | 176.1 | 73.2 | 0 | 0 | 0 | 0 | 111.1 | E920 H921 D922 | T918-E920 PolarHBondContact O-N 2.77Å; T918-E920 PolarHBondContact OG1-N 3.23Å; T918-H921 PolarHBondContact N-ND1 2.99Å; T918-H921 WeakPolarHBondContact O-CB 3.42Å; T918-H921 PolarHBondContact O-N 3.01Å; T918-H921 PolarHBondContact OG1-N 2.73Å; T918-H921 PolarHBondContact OG1-ND1 3.29Å; T918-D922 PolarHBondContact O-N 3.48Å | ||
| 919 | S | 73.8 | Confident | 67.9 | Low | 74 Ų | 74 | 79.6 Ų | 79.6 | 52% | 0.517 | 39% | 0.394 | S | S | . | . | H | α-helix | trans | -60.8 | -26.6 | 173.4 | -178.2 | 0 | 0 | 0 | 0 | 113 | K923 | S919-K923 VanDerWaalsContact O-CG 3.27Å; S919-K923 WeakPolarHBondContact O-CG 3.18Å; S919-K923 PolarHBondContact O-N 2.8Å |
| 920 | E | 78.4 | Confident | 69.9 | Low | 144 Ų | 144 | 76.7 Ų | 76.7 | 67% | 0.673 | 38% | 0.38 | S | S | * | . | H | α-helix | trans | -70.6 | -46.3 | 176.5 | -62.5 | 166.1 | 145.4 | 0 | 0 | 110.6 | T918 D922 K923 E924 | T918-E920 PolarHBondContact O-N 2.77Å; T918-E920 PolarHBondContact OG1-N 3.23Å; E920-D922 VanDerWaalsContact C-N 3.26Å; E920-D922 PolarHBondContact O-N 2.89Å; E920-K923 PolarHBondContact O-N 3.5Å; E920-K923 VanDerWaalsContact O-N 3.15Å; E920-E924 VanDerWaalsContact O-CB 3.3Å; E920-E924 WeakPolarHBondContact O-CB 3.33Å; E920-E924 PolarHBondContact O-N 2.95Å |
| 921 | H | 81.9 | Confident | 71.8 | Confident | 35 Ų | 35 | 77.7 Ų | 77.7 | 16% | 0.162 | 39% | 0.391 | C | S | . | . | H | α-helix | trans | -56 | -37.7 | 172.5 | -71.4 | 109.1 | 0 | 0 | 0 | 112.8 | W917 T918 L925 F951 D953 | W917-H921 HydrophobicContact CE3-CB 3.9Å; W917-H921 HydrophobicContact CZ3-CB 4.38Å; T918-H921 PolarHBondContact N-ND1 2.99Å; T918-H921 WeakPolarHBondContact O-CB 3.42Å; T918-H921 PolarHBondContact O-N 3.01Å; T918-H921 PolarHBondContact OG1-N 2.73Å; T918-H921 PolarHBondContact OG1-ND1 3.29Å; H921-L925 WeakPolarHBondContact O-CB 3.38Å; H921-L925 PolarHBondContact O-N 3.26Å; H921-F951 HydrophobicContact CB-CE1 4.42Å; H921-F951 HydrophobicContact CB-CZ 3.79Å; H921-F951 AromaticContact CD2-CE1 3.5Å; H921-F951 AromaticContact CD2-CZ 3.62Å; H921-F951 WeakPolarHBondContact O-CE2 3.38Å; H921-F951 WeakPolarHBondContact O-CZ 3.2Å; H921-D953 WeakPolarHBondContact NE2-CB 3.28Å |
| 922 | D | 82.1 | Confident | 73.8 | Confident | 24 Ų | 24 | 73 Ų | 73 | 13% | 0.128 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -72.7 | -38.6 | 176.6 | -70 | -34.2 | 0 | 0 | 0 | 112.7 | T918 E920 T926 R964 L968 | T918-D922 PolarHBondContact O-N 3.48Å; E920-D922 VanDerWaalsContact C-N 3.26Å; E920-D922 PolarHBondContact O-N 2.89Å; D922-T926 WeakPolarHBondContact O-CB 3.4Å; D922-T926 PolarHBondContact O-N 3.41Å; D922-T926 PolarHBondContact O-OG1 3.09Å; D922-R964 WeakPolarHBondContact OD1-CG 3.43Å; D922-R964 IonicContact OD1-CZ 3.98Å; D922-R964 IonicContact OD1-NE 3.49Å; D922-R964 PolarHBondContact OD1-NE 3.39Å; D922-R964 IonicContact OD1-NH2 2.64Å; D922-R964 PolarHBondContact OD1-NH2 3.46Å; D922-R964 IonicContact OD2-CZ 3.52Å; D922-R964 IonicContact OD2-NE 2.84Å; D922-R964 IonicContact OD2-NH2 3.33Å; D922-R964 PolarHBondContact OD2-NH2 3.05Å; D922-L968 HydrophobicContact CB-CD1 4.32Å; D922-L968 HydrophobicContact CB-CD2 4.3Å |
| 923 | K | 82.8 | Confident | 75.6 | Confident | 125 Ų | 125 | 73.1 Ų | 73.1 | 54% | 0.543 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -65.4 | -46.8 | 174.4 | -73.2 | 166.9 | -174.6 | 172.4 | 0 | 111.2 | S919 E920 T926 Q927 | S919-K923 VanDerWaalsContact O-CG 3.27Å; S919-K923 WeakPolarHBondContact O-CG 3.18Å; S919-K923 PolarHBondContact O-N 2.8Å; E920-K923 PolarHBondContact O-N 3.5Å; E920-K923 VanDerWaalsContact O-N 3.15Å; K923-T926 PolarHBondContact O-N 3.18Å; K923-Q927 WeakPolarHBondContact O-CG 3.43Å; K923-Q927 PolarHBondContact O-N 3.27Å |
| 924 | E | 87.1 | Confident | 77.1 | Confident | 34 Ų | 34 | 70.2 Ų | 70.2 | 16% | 0.159 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -56.8 | -51.7 | 174.4 | 178.6 | -174.6 | -161.6 | 0 | 0 | 110.7 | E920 T926 Q927 L928 F951 S952 | E920-E924 VanDerWaalsContact O-CB 3.3Å; E920-E924 WeakPolarHBondContact O-CB 3.33Å; E920-E924 PolarHBondContact O-N 2.95Å; E924-T926 PolarHBondContact O-N 2.9Å; E924-Q927 PolarHBondContact O-N 3.38Å; E924-L928 HydrophobicContact CG-CD1 3.75Å; E924-L928 HydrophobicContact CG-CG 4.27Å; E924-L928 WeakPolarHBondContact O-CB 3.32Å; E924-L928 VanDerWaalsContact O-CG 3.29Å; E924-L928 WeakPolarHBondContact O-CG 3.46Å; E924-L928 PolarHBondContact O-N 3.4Å; E924-F951 HydrophobicContact CB-CE2 4.26Å; E924-F951 HydrophobicContact CG-CD2 4.12Å; E924-F951 HydrophobicContact CG-CE2 3.98Å; E924-F951 WeakPolarHBondContact OE2-CE2 3.47Å; E924-S952 WeakPolarHBondContact OE1-CB 3.35Å; E924-S952 PolarHBondContact OE1-N 3.4Å; E924-S952 PolarHBondContact OE1-OG 3.41Å |
| 925 | L | 86.1 | Confident | 78.4 | Confident | 0 Ų | 0 | 69.7 Ų | 69.7 | 0% | 0 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -60.1 | -36.8 | 179.2 | -178.2 | 56.3 | 0 | 0 | 0 | 112.1 | W917 H921 F929 L947 F951 I961 R964 L965 L968 | W917-L925 HydrophobicContact CH2-CD2 4.36Å; W917-L925 HydrophobicContact CZ3-CD2 4.14Å; H921-L925 WeakPolarHBondContact O-CB 3.38Å; H921-L925 PolarHBondContact O-N 3.26Å; L925-F929 VanDerWaalsContact O-CB 3.26Å; L925-F929 WeakPolarHBondContact O-CB 3.37Å; L925-F929 PolarHBondContact O-N 3Å; L925-L947 HydrophobicContact CD1-CB 4.44Å; L925-L947 HydrophobicContact CD1-CD1 4.39Å; L925-F951 HydrophobicContact CB-CE2 3.81Å; L925-I961 HydrophobicContact CD1-CG2 3.9Å; L925-R964 HydrophobicContact CD2-CB 3.88Å; L925-R964 HydrophobicContact CD2-CG 3.98Å; L925-L965 HydrophobicContact CD1-CD2 3.84Å; L925-L965 HydrophobicContact CD1-CG 4.19Å; L925-L965 HydrophobicContact CD2-CD2 4.06Å; L925-L965 HydrophobicContact CD2-CG 4.16Å; L925-L965 HydrophobicContact CG-CD2 3.71Å; L925-L965 HydrophobicContact CG-CG 4.26Å; L925-L968 HydrophobicContact CD2-CD1 4.28Å |
| 926 | T | 85.1 | Confident | 79 | Confident | 42 Ų | 42 | 70.9 Ų | 70.9 | 26% | 0.258 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -67.5 | -47.9 | 175.5 | -55.5 | 0 | 0 | 0 | 0 | 111.3 | D922 K923 E924 F929 E930 L970 | D922-T926 WeakPolarHBondContact O-CB 3.4Å; D922-T926 PolarHBondContact O-N 3.41Å; D922-T926 PolarHBondContact O-OG1 3.09Å; K923-T926 PolarHBondContact O-N 3.18Å; E924-T926 PolarHBondContact O-N 2.9Å; T926-F929 PolarHBondContact O-N 3.41Å; T926-E930 WeakPolarHBondContact O-CG 3.33Å; T926-E930 PolarHBondContact O-N 3.11Å; T926-L970 HydrophobicContact CG2-CD1 4.25Å; T926-L970 HydrophobicContact CG2-CD2 4.39Å |
| 927 | Q | 87 | Confident | 79.5 | Confident | 140 Ų | 140 | 64 Ų | 64 | 65% | 0.654 | 32% | 0.322 | S | S | * | . | H | α-helix | trans | -62.7 | -44.8 | 178.4 | -72.5 | 173.3 | 4.9 | 0 | 0 | 112.1 | K923 E924 F929 E930 A931 | K923-Q927 WeakPolarHBondContact O-CG 3.43Å; K923-Q927 PolarHBondContact O-N 3.27Å; E924-Q927 PolarHBondContact O-N 3.38Å; Q927-F929 VanDerWaalsContact C-N 3.31Å; Q927-F929 PolarHBondContact O-N 2.82Å; Q927-E930 PolarHBondContact O-N 3.24Å; Q927-A931 WeakPolarHBondContact O-CB 3.37Å; Q927-A931 PolarHBondContact O-N 3.46Å |
| 928 | L | 84.5 | Confident | 79.5 | Confident | 28 Ų | 28 | 64 Ų | 64 | 15% | 0.147 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -62.8 | -37.6 | 175.5 | -68.7 | 172.4 | 0 | 0 | 0 | 111.7 | E924 Y932 L947 F951 | E924-L928 HydrophobicContact CG-CD1 3.75Å; E924-L928 HydrophobicContact CG-CG 4.27Å; E924-L928 WeakPolarHBondContact O-CB 3.32Å; E924-L928 VanDerWaalsContact O-CG 3.29Å; E924-L928 WeakPolarHBondContact O-CG 3.46Å; E924-L928 PolarHBondContact O-N 3.4Å; L928-Y932 HydrophobicContact CD2-CD2 4.35Å; L928-Y932 HydrophobicContact CD2-CE2 3.9Å; L928-Y932 WeakPolarHBondContact O-CB 3.46Å; L928-Y932 WeakPolarHBondContact O-CD2 3.16Å; L928-Y932 PolarHBondContact O-N 3.48Å; L928-L947 HydrophobicContact CB-CD2 3.53Å; L928-L947 WeakPolarHBondContact O-CD2 3.48Å; L928-F951 HydrophobicContact CD1-CD2 3.96Å |
| 929 | F | 85.6 | Confident | 78.5 | Confident | 10 Ų | 10 | 65.9 Ų | 65.9 | 4% | 0.044 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -66.9 | -45.4 | 174.4 | 179.7 | -101.4 | 0 | 0 | 0 | 112 | L925 T926 Q927 R933 L943 L947 L965 L970 I971 L977 I980 | L925-F929 VanDerWaalsContact O-CB 3.26Å; L925-F929 WeakPolarHBondContact O-CB 3.37Å; L925-F929 PolarHBondContact O-N 3Å; T926-F929 PolarHBondContact O-N 3.41Å; Q927-F929 VanDerWaalsContact C-N 3.31Å; Q927-F929 PolarHBondContact O-N 2.82Å; F929-R933 WeakPolarHBondContact O-CB 3.47Å; F929-R933 WeakPolarHBondContact O-CG 3.49Å; F929-R933 PolarHBondContact O-N 2.94Å; F929-L943 HydrophobicContact CD2-CD2 4.1Å; F929-L943 HydrophobicContact CE2-CD2 3.96Å; F929-L947 HydrophobicContact CB-CD2 4.44Å; F929-L947 HydrophobicContact CD2-CD1 4.15Å; F929-L965 HydrophobicContact CB-CD2 4.11Å; F929-L965 HydrophobicContact CD2-CD1 4.46Å; F929-L965 HydrophobicContact CD2-CD2 4.09Å; F929-L965 HydrophobicContact CG-CD2 4.15Å; F929-L970 HydrophobicContact CB-CD1 4.45Å; F929-L970 HydrophobicContact CD1-CB 4.06Å; F929-L970 HydrophobicContact CD1-CD1 4.1Å; F929-L970 HydrophobicContact CD1-CD2 4.22Å; F929-L970 HydrophobicContact CD1-CG 4.36Å; F929-L970 HydrophobicContact CE1-CB 3.89Å; F929-L970 HydrophobicContact CE1-CD2 4.4Å; F929-L970 HydrophobicContact CG-CD1 4.39Å; F929-L970 HydrophobicContact CZ-CB 4.37Å; F929-I971 HydrophobicContact CE2-CG2 4.06Å; F929-I971 HydrophobicContact CZ-CG2 3.94Å; F929-L977 HydrophobicContact CD2-CD1 4.39Å; F929-L977 HydrophobicContact CE2-CD1 3.76Å; F929-I980 HydrophobicContact CZ-CD1 4.34Å |
| 930 | E | 83.6 | Confident | 78.1 | Confident | 102 Ų | 102 | 66.2 Ų | 66.2 | 48% | 0.477 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -68.4 | -32.9 | 179.1 | -66.4 | -147.1 | 110.4 | 0 | 0 | 113.6 | T926 Q927 R933 | T926-E930 WeakPolarHBondContact O-CG 3.33Å; T926-E930 PolarHBondContact O-N 3.11Å; Q927-E930 PolarHBondContact O-N 3.24Å; E930-R933 IonicContact OE1-CZ 3.86Å; E930-R933 IonicContact OE1-NH1 3.04Å; E930-R933 PolarHBondContact OE1-NH1 3.47Å; E930-R933 IonicContact OE1-NH2 3.98Å |
| 931 | A | 81.5 | Confident | 77.7 | Confident | 56 Ų | 56 | 62.3 Ų | 62.3 | 46% | 0.463 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -67.8 | -59.3 | 172.1 | 0 | 0 | 0 | 0 | 0 | 111.5 | Q927 R933 | Q927-A931 WeakPolarHBondContact O-CB 3.37Å; Q927-A931 PolarHBondContact O-N 3.46Å; A931-R933 PolarHBondContact O-N 3.4Å |
| 932 | Y | 78.7 | Confident | 77.4 | Confident | 60 Ų | 60 | 61.1 Ų | 61.1 | 24% | 0.235 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -84.6 | -6.5 | -168.4 | -66.4 | -60 | 0 | 0 | 0 | 115.3 | L928 H934 D935 L946 Y950 | L928-Y932 HydrophobicContact CD2-CD2 4.35Å; L928-Y932 HydrophobicContact CD2-CE2 3.9Å; L928-Y932 WeakPolarHBondContact O-CB 3.46Å; L928-Y932 WeakPolarHBondContact O-CD2 3.16Å; L928-Y932 PolarHBondContact O-N 3.48Å; Y932-H934 PolarHBondContact O-N 2.61Å; Y932-H934 VanDerWaalsContact O-N 3.12Å; Y932-D935 HydrophobicContact CD1-CB 4.15Å; Y932-D935 WeakPolarHBondContact CD1-OD2 3.42Å; Y932-D935 PolarHBondContact O-N 3.23Å; Y932-L946 HydrophobicContact CD1-CD1 4.43Å; Y932-L946 HydrophobicContact CG-CD1 4.48Å; Y932-Y950 HydrophobicContact CD2-CD2 4.11Å; Y932-Y950 HydrophobicContact CE1-CE2 4.24Å; Y932-Y950 AromaticContact CE2-CD2 3.44Å; Y932-Y950 HydrophobicContact CE2-CD2 3.44Å; Y932-Y950 VanDerWaalsContact CE2-CD2 3.44Å; Y932-Y950 AromaticContact CE2-CE2 3.97Å; Y932-Y950 HydrophobicContact CE2-CE2 3.97Å; Y932-Y950 HydrophobicContact CE2-CG 4.03Å; Y932-Y950 AromaticContact CZ-CD2 3.69Å; Y932-Y950 AromaticContact CZ-CE2 3.74Å |
| 933 | R | 77.3 | Confident | 77.2 | Confident | 76 Ų | 76 | 60 Ų | 60 | 29% | 0.287 | 33% | 0.333 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -62.9 | -16.1 | 178.9 | 66.6 | 177.8 | -166.8 | -140.3 | -7.1 | 115.3 | F929 E930 A931 L943 I980 | F929-R933 WeakPolarHBondContact O-CB 3.47Å; F929-R933 WeakPolarHBondContact O-CG 3.49Å; F929-R933 PolarHBondContact O-N 2.94Å; E930-R933 IonicContact OE1-CZ 3.86Å; E930-R933 IonicContact OE1-NH1 3.04Å; E930-R933 PolarHBondContact OE1-NH1 3.47Å; E930-R933 IonicContact OE1-NH2 3.98Å; A931-R933 PolarHBondContact O-N 3.4Å; R933-L943 HydrophobicContact CB-CD2 4.25Å; R933-I980 HydrophobicContact CB-CG2 3.9Å |
| 934 | H | 74.9 | Confident | 77 | Confident | 144 Ų | 144 | 54.1 Ų | 54.1 | 67% | 0.667 | 31% | 0.307 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -112.5 | -6.2 | 178.1 | -61.2 | -44.3 | 0 | 0 | 0 | 113.2 | Y932 | Y932-H934 PolarHBondContact O-N 2.61Å; Y932-H934 VanDerWaalsContact O-N 3.12Å |
| 935 | D | 72.8 | Confident | 76.7 | Confident | 76 Ų | 76 | 54.1 Ų | 54.1 | 41% | 0.406 | 31% | 0.308 | S | S | . | . | S | Bend | trans | -87.9 | 144.4 | -175.2 | -85.6 | -10.3 | 0 | 0 | 0 | 112.8 | Y932 V937 | Y932-D935 HydrophobicContact CD1-CB 4.15Å; Y932-D935 WeakPolarHBondContact CD1-OD2 3.42Å; Y932-D935 PolarHBondContact O-N 3.23Å; D935-V937 PolarHBondContact O-N 3.27Å; D935-V937 VanDerWaalsContact O-N 3.12Å |
| 936 | P | 68.6 | Low | 76.5 | Confident | 76 Ų | 76 | 54.7 Ų | 54.7 | 49% | 0.494 | 31% | 0.311 | S | S | . | . | trans | -71.3 | 105.6 | -178.1 | 27.7 | -34.1 | 0 | 0 | 0 | 113.1 | V982 P984 | P936-V982 HydrophobicContact CB-CG1 4.39Å; P936-P984 HydrophobicContact CB-CB 3.88Å; P936-P984 HydrophobicContact CB-CG 4.15Å | ||
| 937 | V | 69.9 | Low | 76.4 | Confident | 1 Ų | 1 | 52.7 Ų | 52.7 | 1% | 0.006 | 30% | 0.299 | C | S | . | . | trans | -70.9 | 127.2 | -178.1 | -175.4 | 0 | 0 | 0 | 0 | 113 | D935 S939 N941 L943 L946 T981 V982 P984 | D935-V937 PolarHBondContact O-N 3.27Å; D935-V937 VanDerWaalsContact O-N 3.12Å; V937-S939 PolarHBondContact O-N 2.87Å; V937-N941 HydrophobicContact CG1-CB 3.9Å; V937-N941 WeakPolarHBondContact CG1-O 3.28Å; V937-L943 HydrophobicContact CG2-CB 4.47Å; V937-L946 HydrophobicContact CB-CD1 4.28Å; V937-L946 HydrophobicContact CG1-CD1 4.09Å; V937-L946 HydrophobicContact CG1-CD2 4.45Å; V937-L946 HydrophobicContact CG1-CG 3.94Å; V937-L946 HydrophobicContact CG2-CD1 3.8Å; V937-L946 HydrophobicContact CG2-CG 4.39Å; V937-T981 HydrophobicContact CG2-CG2 4.31Å; V937-V982 PolarHBondContact N-O 3.4Å; V937-P984 WeakPolarHBondContact O-CD 3.43Å | ||
| 938 | P | 68.7 | Low | 76.3 | Confident | 60 Ų | 60 | 48.2 Ų | 48.2 | 39% | 0.39 | 28% | 0.281 | S | S | . | . | trans | -56.2 | 131.9 | 178.7 | -26.4 | 35.2 | 0 | 0 | 0 | 114.4 | G940 N941 | P938-G940 PolarHBondContact O-N 3.47Å; P938-N941 WeakPolarHBondContact O-CB 3.44Å; P938-N941 PolarHBondContact O-N 2.87Å | ||
| 939 | S | 58.5 | Low | 76.2 | Confident | 77 Ų | 77 | 53.5 Ų | 53.5 | 54% | 0.538 | 30% | 0.303 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -41.2 | 133.6 | 176.3 | 54.5 | 0 | 0 | 0 | 0 | 114.9 | V937 N941 K986 | V937-S939 PolarHBondContact O-N 2.87Å; S939-N941 VanDerWaalsContact C-N 3.3Å; S939-K986 WeakPolarHBondContact OG-CD 3.31Å; S939-K986 PolarHBondContact OG-NZ 2.93Å |
| 940 | G | 65.5 | Low | 76 | Confident | 81 Ų | 81 | 57.6 Ų | 57.6 | 84% | 0.835 | 32% | 0.319 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 98.7 | -27 | -175.3 | 0 | 0 | 0 | 0 | 0 | 112 | P938 | P938-G940 PolarHBondContact O-N 3.47Š|
| 941 | N | 68.7 | Low | 76.1 | Confident | 62 Ų | 62 | 53.3 Ų | 53.3 | 33% | 0.332 | 30% | 0.299 | S | S | . | . | trans | -103.8 | 150.5 | 177.8 | -66.2 | 21.6 | 0 | 0 | 0 | 111.1 | V937 P938 S939 D945 | V937-N941 HydrophobicContact CG1-CB 3.9Å; V937-N941 WeakPolarHBondContact CG1-O 3.28Å; P938-N941 WeakPolarHBondContact O-CB 3.44Å; P938-N941 PolarHBondContact O-N 2.87Å; S939-N941 VanDerWaalsContact C-N 3.3Å; N941-D945 VanDerWaalsContact CA-OD2 3.31Å; N941-D945 WeakPolarHBondContact CA-OD2 3.46Å; N941-D945 HydrophobicContact CB-CB 3.89Å | ||
| 942 | D | 76 | Confident | 76 | Confident | 10 Ų | 10 | 55.4 Ų | 55.4 | 5% | 0.053 | 31% | 0.31 | C | S | . | . | trans | -105.1 | 174.2 | 162.4 | -61.8 | -47 | 0 | 0 | 0 | 109.8 | A944 D945 L946 R958 K978 T981 R983 | D942-A944 PolarHBondContact O-N 3.27Å; D942-D945 PolarHBondContact N-OD2 3.13Å; D942-D945 WeakPolarHBondContact O-CB 3.38Å; D942-D945 PolarHBondContact O-N 3.33Å; D942-L946 PolarHBondContact O-N 3.21Å; D942-R958 IonicContact OD2-CZ 2.74Å; D942-R958 IonicContact OD2-NH1 3.39Å; D942-R958 IonicContact OD2-NH2 3.94Å; D942-R958 PolarHBondContact OD2-NH2 3.32Å; D942-K978 IonicContact OD1-NZ 2.7Å; D942-K978 IonicContact OD2-NZ 3.48Å; D942-K978 PolarHBondContact OD2-NZ 3.42Å; D942-T981 HydrophobicContact CB-CG2 4.03Å; D942-R983 IonicContact OD1-CZ 3.83Å; D942-R983 IonicContact OD1-NH2 2.79Å; D942-R983 PolarHBondContact OD1-NH2 3.04Å | ||
| 943 | L | 78.4 | Confident | 76 | Confident | 1 Ų | 1 | 54.4 Ų | 54.4 | 1% | 0.005 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -56.1 | -36.3 | 178 | 177.2 | 57.1 | 0 | 0 | 0 | 111 | F929 R933 V937 D945 L946 L947 L977 I980 T981 | F929-L943 HydrophobicContact CD2-CD2 4.1Å; F929-L943 HydrophobicContact CE2-CD2 3.96Å; R933-L943 HydrophobicContact CB-CD2 4.25Å; V937-L943 HydrophobicContact CG2-CB 4.47Å; L943-D945 PolarHBondContact O-N 3.11Å; L943-L946 PolarHBondContact O-N 3.46Å; L943-L946 VanDerWaalsContact O-N 3.12Å; L943-L947 HydrophobicContact CD1-CD1 4.49Å; L943-L947 HydrophobicContact CD1-CG 4.25Å; L943-L947 HydrophobicContact CG-CD1 4.15Å; L943-L947 HydrophobicContact CG-CG 4.39Å; L943-L947 VanDerWaalsContact O-CG 3.29Å; L943-L947 WeakPolarHBondContact O-CG 3.47Å; L943-L947 PolarHBondContact O-N 3.13Å; L943-L977 HydrophobicContact CB-CD1 4.35Å; L943-L977 HydrophobicContact CD2-CD1 3.81Å; L943-L977 HydrophobicContact CG-CD1 4.18Å; L943-I980 HydrophobicContact CD2-CG2 4.02Å; L943-T981 HydrophobicContact CB-CG2 3.48Å; L943-T981 VanDerWaalsContact CB-CG2 3.48Å |
| 944 | A | 78.4 | Confident | 75.8 | Confident | 1 Ų | 1 | 56.4 Ų | 56.4 | 1% | 0.008 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -52.8 | -35.5 | 172.4 | 0 | 0 | 0 | 0 | 0 | 113.6 | D942 V948 R958 V962 L977 | D942-A944 PolarHBondContact O-N 3.27Å; A944-V948 WeakPolarHBondContact O-CB 3.47Å; A944-V948 WeakPolarHBondContact O-CG2 3.5Å; A944-V948 PolarHBondContact O-N 3.11Å; A944-R958 HydrophobicContact CB-CG 3.99Å; A944-V962 HydrophobicContact CB-CG2 3.85Å; A944-L977 HydrophobicContact CB-CD2 3.82Å |
| 945 | D | 81 | Confident | 75.8 | Confident | 33 Ų | 33 | 52.2 Ų | 52.2 | 18% | 0.176 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -82.5 | -28.5 | -179.6 | -51 | -55.4 | 0 | 0 | 0 | 112.4 | N941 D942 L943 K949 R958 | N941-D945 VanDerWaalsContact CA-OD2 3.31Å; N941-D945 WeakPolarHBondContact CA-OD2 3.46Å; N941-D945 HydrophobicContact CB-CB 3.89Å; D942-D945 PolarHBondContact N-OD2 3.13Å; D942-D945 WeakPolarHBondContact O-CB 3.38Å; D942-D945 PolarHBondContact O-N 3.33Å; L943-D945 PolarHBondContact O-N 3.11Å; D945-K949 WeakPolarHBondContact O-CB 3.39Å; D945-K949 PolarHBondContact O-N 2.78Å; D945-R958 WeakPolarHBondContact OD1-CD 3.17Å; D945-R958 IonicContact OD1-CZ 2.7Å; D945-R958 IonicContact OD1-NE 3.84Å; D945-R958 IonicContact OD1-NH1 2.61Å; D945-R958 PolarHBondContact OD1-NH1 3.28Å; D945-R958 IonicContact OD2-CZ 3.57Å; D945-R958 IonicContact OD2-NH1 3.96Å; D945-R958 PolarHBondContact OD2-NH1 2.91Å |
| 946 | L | 81 | Confident | 76.1 | Confident | 12 Ų | 12 | 48.9 Ų | 48.9 | 6% | 0.063 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -66.2 | -44.3 | 168.2 | -67.7 | -168.2 | 0 | 0 | 0 | 110.6 | Y932 V937 D942 L943 K949 Y950 | Y932-L946 HydrophobicContact CD1-CD1 4.43Å; Y932-L946 HydrophobicContact CG-CD1 4.48Å; V937-L946 HydrophobicContact CB-CD1 4.28Å; V937-L946 HydrophobicContact CG1-CD1 4.09Å; V937-L946 HydrophobicContact CG1-CD2 4.45Å; V937-L946 HydrophobicContact CG1-CG 3.94Å; V937-L946 HydrophobicContact CG2-CD1 3.8Å; V937-L946 HydrophobicContact CG2-CG 4.39Å; D942-L946 PolarHBondContact O-N 3.21Å; L943-L946 PolarHBondContact O-N 3.46Å; L943-L946 VanDerWaalsContact O-N 3.12Å; L946-K949 PolarHBondContact O-N 3.23Å; L946-K949 VanDerWaalsContact O-N 3.14Å; L946-Y950 HydrophobicContact CB-CD2 4.3Å; L946-Y950 HydrophobicContact CB-CE2 4.42Å; L946-Y950 HydrophobicContact CD2-CE2 4.18Å; L946-Y950 VanDerWaalsContact O-CD2 3.22Å; L946-Y950 WeakPolarHBondContact O-CD2 3.35Å; L946-Y950 PolarHBondContact O-N 2.89Å |
| 947 | L | 83 | Confident | 76.7 | Confident | 0 Ų | 0 | 48.7 Ų | 48.7 | 0% | 0 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -60.3 | -48.4 | 176.4 | -62.3 | 174.7 | 0 | 0 | 0 | 110.4 | L925 L928 F929 L943 K949 Y950 F951 I961 L965 | L925-L947 HydrophobicContact CD1-CB 4.44Å; L925-L947 HydrophobicContact CD1-CD1 4.39Å; L928-L947 HydrophobicContact CB-CD2 3.53Å; L928-L947 WeakPolarHBondContact O-CD2 3.48Å; F929-L947 HydrophobicContact CB-CD2 4.44Å; F929-L947 HydrophobicContact CD2-CD1 4.15Å; L943-L947 HydrophobicContact CD1-CD1 4.49Å; L943-L947 HydrophobicContact CD1-CG 4.25Å; L943-L947 HydrophobicContact CG-CD1 4.15Å; L943-L947 HydrophobicContact CG-CG 4.39Å; L943-L947 VanDerWaalsContact O-CG 3.29Å; L943-L947 WeakPolarHBondContact O-CG 3.47Å; L943-L947 PolarHBondContact O-N 3.13Å; L947-K949 VanDerWaalsContact C-N 3.3Å; L947-K949 PolarHBondContact O-N 3.18Å; L947-Y950 PolarHBondContact O-N 3.5Å; L947-F951 WeakPolarHBondContact O-CB 3.44Å; L947-F951 PolarHBondContact O-N 3.37Å; L947-I961 HydrophobicContact CB-CG2 4.1Å; L947-L965 HydrophobicContact CD1-CD1 3.66Å; L947-L965 HydrophobicContact CD1-CD2 4.47Å |
| 948 | V | 84.9 | Confident | 77.2 | Confident | 47 Ų | 47 | 51.8 Ų | 51.8 | 29% | 0.285 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -57.8 | -38.2 | 173.1 | 171 | 0 | 0 | 0 | 0 | 112.8 | A944 R958 I961 | A944-V948 WeakPolarHBondContact O-CB 3.47Å; A944-V948 WeakPolarHBondContact O-CG2 3.5Å; A944-V948 PolarHBondContact O-N 3.11Å; V948-R958 VanDerWaalsContact CG2-CA 3.49Å; V948-R958 HydrophobicContact CG2-CB 3.92Å; V948-I961 HydrophobicContact CB-CD1 4.26Å; V948-I961 HydrophobicContact CG2-CB 4.41Å; V948-I961 HydrophobicContact CG2-CD1 3.67Å |
| 949 | K | 82.3 | Confident | 77.4 | Confident | 138 Ų | 138 | 54.8 Ų | 54.8 | 60% | 0.6 | 32% | 0.316 | S | S | * | . | H | α-helix | trans | -73.7 | -35.2 | -178.2 | -174.9 | -167.3 | 171.1 | -152.9 | 0 | 113.1 | D945 L946 L947 | D945-K949 WeakPolarHBondContact O-CB 3.39Å; D945-K949 PolarHBondContact O-N 2.78Å; L946-K949 PolarHBondContact O-N 3.23Å; L946-K949 VanDerWaalsContact O-N 3.14Å; L947-K949 VanDerWaalsContact C-N 3.3Å; L947-K949 PolarHBondContact O-N 3.18Å |
| 950 | Y | 81.9 | Confident | 78.4 | Confident | 97 Ų | 97 | 53.6 Ų | 53.6 | 38% | 0.38 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -97.8 | 1.4 | -177.5 | -64.9 | -58.1 | 0 | 0 | 0 | 113.6 | Y932 L946 L947 | Y932-Y950 HydrophobicContact CD2-CD2 4.11Å; Y932-Y950 HydrophobicContact CE1-CE2 4.24Å; Y932-Y950 AromaticContact CE2-CD2 3.44Å; Y932-Y950 HydrophobicContact CE2-CD2 3.44Å; Y932-Y950 VanDerWaalsContact CE2-CD2 3.44Å; Y932-Y950 AromaticContact CE2-CE2 3.97Å; Y932-Y950 HydrophobicContact CE2-CE2 3.97Å; Y932-Y950 HydrophobicContact CE2-CG 4.03Å; Y932-Y950 AromaticContact CZ-CD2 3.69Å; Y932-Y950 AromaticContact CZ-CE2 3.74Å; L946-Y950 HydrophobicContact CB-CD2 4.3Å; L946-Y950 HydrophobicContact CB-CE2 4.42Å; L946-Y950 HydrophobicContact CD2-CE2 4.18Å; L946-Y950 VanDerWaalsContact O-CD2 3.22Å; L946-Y950 WeakPolarHBondContact O-CD2 3.35Å; L946-Y950 PolarHBondContact O-N 2.89Å; L947-Y950 PolarHBondContact O-N 3.5Å |
| 951 | F | 85.5 | Confident | 79.3 | Confident | 12 Ų | 12 | 49.8 Ų | 49.8 | 5% | 0.053 | 26% | 0.262 | C | S | . | . | trans | -74.8 | 134.9 | 173.7 | -149.5 | -117.8 | 0 | 0 | 0 | 111.7 | W917 H921 E924 L925 L928 L947 D953 K956 I961 | W917-F951 HydrophobicContact CE3-CZ 4.43Å; W917-F951 HydrophobicContact CH2-CE1 4.34Å; W917-F951 HydrophobicContact CH2-CZ 4.32Å; W917-F951 AromaticContact CZ3-CE1 3.99Å; W917-F951 HydrophobicContact CZ3-CE1 3.99Å; W917-F951 AromaticContact CZ3-CZ 3.64Å; W917-F951 HydrophobicContact CZ3-CZ 3.64Å; H921-F951 HydrophobicContact CB-CE1 4.42Å; H921-F951 HydrophobicContact CB-CZ 3.79Å; H921-F951 AromaticContact CD2-CE1 3.5Å; H921-F951 AromaticContact CD2-CZ 3.62Å; H921-F951 WeakPolarHBondContact O-CE2 3.38Å; H921-F951 WeakPolarHBondContact O-CZ 3.2Å; E924-F951 HydrophobicContact CB-CE2 4.26Å; E924-F951 HydrophobicContact CG-CD2 4.12Å; E924-F951 HydrophobicContact CG-CE2 3.98Å; E924-F951 WeakPolarHBondContact OE2-CE2 3.47Å; L925-F951 HydrophobicContact CB-CE2 3.81Å; L928-F951 HydrophobicContact CD1-CD2 3.96Å; L947-F951 WeakPolarHBondContact O-CB 3.44Å; L947-F951 PolarHBondContact O-N 3.37Å; F951-D953 VanDerWaalsContact C-N 3.34Å; F951-D953 HydrophobicContact CD1-CB 4.13Å; F951-D953 HydrophobicContact CE1-CB 4.15Å; F951-D953 PolarHBondContact O-N 2.91Å; F951-K956 HydrophobicContact CD1-CB 4.22Å; F951-K956 HydrophobicContact CD1-CG 3.94Å; F951-K956 HydrophobicContact CE1-CB 4.4Å; F951-K956 HydrophobicContact CE1-CG 3.73Å; F951-I961 HydrophobicContact CB-CD1 4.18Å; F951-I961 HydrophobicContact CD1-CD1 4.21Å; F951-I961 HydrophobicContact CG-CD1 4.09Å | ||
| 952 | S | 79.9 | Confident | 79.8 | Confident | 100 Ų | 100 | 46.9 Ų | 46.9 | 70% | 0.699 | 25% | 0.247 | S | C | * | . | S | Bend | trans | -64.2 | -36.5 | -179 | -62.7 | 0 | 0 | 0 | 0 | 112.8 | E924 S954 | E924-S952 WeakPolarHBondContact OE1-CB 3.35Å; E924-S952 PolarHBondContact OE1-N 3.4Å; E924-S952 PolarHBondContact OE1-OG 3.41Å; S952-S954 PolarHBondContact O-N 3.49Å |
| 953 | D | 78.3 | Confident | 79.8 | Confident | 38 Ų | 38 | 47.7 Ų | 47.7 | 20% | 0.203 | 26% | 0.255 | C | S | . | . | trans | -92.1 | 90.8 | 176.3 | -178.6 | 11 | 0 | 0 | 0 | 112.6 | H921 F951 S955 K956 | H921-D953 WeakPolarHBondContact NE2-CB 3.28Å; F951-D953 VanDerWaalsContact C-N 3.34Å; F951-D953 HydrophobicContact CD1-CB 4.13Å; F951-D953 HydrophobicContact CE1-CB 4.15Å; F951-D953 PolarHBondContact O-N 2.91Å; D953-S955 PolarHBondContact O-N 3.06Å; D953-S955 WeakPolarHBondContact OD1-CA 3.34Å; D953-S955 WeakPolarHBondContact OD1-CB 3.49Å; D953-S955 PolarHBondContact OD1-N 2.83Å; D953-S955 PolarHBondContact OD1-OG 3.4Å; D953-S955 PolarHBondContact OD2-OG 3.12Å; D953-K956 HydrophobicContact CB-CG 4.17Å; D953-K956 WeakPolarHBondContact O-CG 3.46Å; D953-K956 PolarHBondContact O-N 3.31Å; D953-K956 VanDerWaalsContact O-N 3.09Å; D953-K956 WeakPolarHBondContact OD2-CE 3.2Å; D953-K956 IonicContact OD2-NZ 2.79Å | ||
| 954 | S | 74 | Confident | 80 | Confident | 119 Ų | 119 | 50.6 Ų | 50.6 | 83% | 0.832 | 27% | 0.266 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.2 | -9 | 173.2 | 64.8 | 0 | 0 | 0 | 0 | 115.8 | S952 K956 | S952-S954 PolarHBondContact O-N 3.49Å; S954-K956 VanDerWaalsContact C-N 3.27Å |
| 955 | S | 75.3 | Confident | 80.1 | Confident | 56 Ų | 56 | 50.6 Ų | 50.6 | 39% | 0.392 | 27% | 0.265 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -75.3 | -15.3 | 172.9 | 80.1 | 0 | 0 | 0 | 0 | 113.3 | I915 D953 | I915-S955 VanDerWaalsContact CD1-O 3.29Å; I915-S955 WeakPolarHBondContact CD1-O 3.18Å; I915-S955 WeakPolarHBondContact CG2-OG 3.45Å; D953-S955 PolarHBondContact O-N 3.06Å; D953-S955 WeakPolarHBondContact OD1-CA 3.34Å; D953-S955 WeakPolarHBondContact OD1-CB 3.49Å; D953-S955 PolarHBondContact OD1-N 2.83Å; D953-S955 PolarHBondContact OD1-OG 3.4Å; D953-S955 PolarHBondContact OD2-OG 3.12Å |
| 956 | K | 77.6 | Confident | 79.8 | Confident | 5 Ų | 5 | 50.3 Ų | 50.3 | 2% | 0.022 | 26% | 0.264 | C | S | . | . | trans | -80 | 122.4 | -179.7 | -55.3 | -59.4 | 173.5 | 139.4 | 0 | 112.3 | I915 H916 W917 F951 D953 S954 I961 | I915-K956 HydrophobicContact CB-CD 4.26Å; I915-K956 HydrophobicContact CG2-CD 3.86Å; I915-K956 PolarHBondContact O-NZ 2.87Å; H916-K956 VanDerWaalsContact C-NZ 3.33Å; H916-K956 PolarHBondContact O-NZ 2.97Å; W917-K956 VanDerWaalsContact CD1-NZ 3.33Å; W917-K956 HydrophobicContact CD2-CD 4.49Å; W917-K956 VanDerWaalsContact CD2-NZ 3.33Å; W917-K956 VanDerWaalsContact CG-NZ 3.3Å; W917-K956 HydrophobicContact CH2-CD 4.23Å; W917-K956 HydrophobicContact CH2-CG 4.2Å; W917-K956 HydrophobicContact CZ2-CD 3.76Å; W917-K956 HydrophobicContact CZ2-CG 4.19Å; F951-K956 HydrophobicContact CD1-CB 4.22Å; F951-K956 HydrophobicContact CD1-CG 3.94Å; F951-K956 HydrophobicContact CE1-CB 4.4Å; F951-K956 HydrophobicContact CE1-CG 3.73Å; D953-K956 HydrophobicContact CB-CG 4.17Å; D953-K956 WeakPolarHBondContact O-CG 3.46Å; D953-K956 PolarHBondContact O-N 3.31Å; D953-K956 VanDerWaalsContact O-N 3.09Å; D953-K956 WeakPolarHBondContact OD2-CE 3.2Å; D953-K956 IonicContact OD2-NZ 2.79Å; S954-K956 VanDerWaalsContact C-N 3.27Å; K956-I961 HydrophobicContact CB-CD1 4.05Å; K956-I961 HydrophobicContact CB-CG1 4.2Å | ||
| 957 | T | 81 | Confident | 79.6 | Confident | 72 Ų | 72 | 53.7 Ų | 53.7 | 44% | 0.442 | 29% | 0.285 | S | S | . | . | trans | -79.7 | 154.9 | 176.5 | 66.5 | 0 | 0 | 0 | 0 | 112.5 | R959 Q960 I961 | T957-R959 PolarHBondContact O-N 2.95Å; T957-R959 VanDerWaalsContact O-N 3.09Å; T957-Q960 PolarHBondContact O-N 3.27Å; T957-Q960 VanDerWaalsContact OG1-CD 3.28Å; T957-Q960 WeakPolarHBondContact OG1-CG 3.37Å; T957-Q960 PolarHBondContact OG1-OE1 3.27Å; T957-I961 PolarHBondContact O-N 3.13Å | ||
| 958 | R | 80.5 | Confident | 79.3 | Confident | 67 Ų | 67 | 56.7 Ų | 56.7 | 25% | 0.253 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -45 | -42.3 | 172.3 | 179.7 | -178.1 | 165.2 | 134.4 | -6.9 | 113.1 | D770 D942 A944 D945 V948 V962 | D770-R958 IonicContact OD1-CZ 3.64Å; D770-R958 IonicContact OD1-NH2 3.83Å; D770-R958 PolarHBondContact OD1-NH2 3.02Å; D770-R958 IonicContact OD2-NH2 3.87Å; D942-R958 IonicContact OD2-CZ 2.74Å; D942-R958 IonicContact OD2-NH1 3.39Å; D942-R958 IonicContact OD2-NH2 3.94Å; D942-R958 PolarHBondContact OD2-NH2 3.32Å; A944-R958 HydrophobicContact CB-CG 3.99Å; D945-R958 WeakPolarHBondContact OD1-CD 3.17Å; D945-R958 IonicContact OD1-CZ 2.7Å; D945-R958 IonicContact OD1-NE 3.84Å; D945-R958 IonicContact OD1-NH1 2.61Å; D945-R958 PolarHBondContact OD1-NH1 3.28Å; D945-R958 IonicContact OD2-CZ 3.57Å; D945-R958 IonicContact OD2-NH1 3.96Å; D945-R958 PolarHBondContact OD2-NH1 2.91Å; V948-R958 VanDerWaalsContact CG2-CA 3.49Å; V948-R958 HydrophobicContact CG2-CB 3.92Å; R958-V962 HydrophobicContact CG-CG2 4.48Å; R958-V962 WeakPolarHBondContact O-CB 3.03Å; R958-V962 VanDerWaalsContact O-CG2 3.28Å; R958-V962 WeakPolarHBondContact O-CG2 3.33Å; R958-V962 PolarHBondContact O-N 3.33Å |
| 959 | R | 74 | Confident | 78.7 | Confident | 122 Ų | 122 | 57.3 Ų | 57.3 | 46% | 0.46 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -61.6 | -45.4 | 177.8 | -79.2 | -173.7 | 170.3 | -158.9 | -4.9 | 112.1 | D760 T957 V962 A963 | D760-R959 IonicContact OD1-NH1 3.96Å; D760-R959 PolarHBondContact OD1-NH1 3.2Å; T957-R959 PolarHBondContact O-N 2.95Å; T957-R959 VanDerWaalsContact O-N 3.09Å; R959-V962 PolarHBondContact O-N 2.98Å; R959-A963 VanDerWaalsContact O-CB 3.29Å; R959-A963 WeakPolarHBondContact O-CB 3.12Å; R959-A963 PolarHBondContact O-N 3.29Å |
| 960 | Q | 80.1 | Confident | 78.4 | Confident | 53 Ų | 53 | 53 Ų | 53 | 25% | 0.248 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -70.5 | -38.7 | -177.8 | -67 | 159.2 | -45.9 | 0 | 0 | 111.6 | W917 T957 A963 R964 | W917-Q960 HydrophobicContact CZ2-CB 4.06Å; T957-Q960 PolarHBondContact O-N 3.27Å; T957-Q960 VanDerWaalsContact OG1-CD 3.28Å; T957-Q960 WeakPolarHBondContact OG1-CG 3.37Å; T957-Q960 PolarHBondContact OG1-OE1 3.27Å; Q960-A963 PolarHBondContact O-N 2.97Å; Q960-R964 WeakPolarHBondContact O-CB 3.28Å; Q960-R964 PolarHBondContact O-N 3.08Å |
| 961 | I | 82.7 | Confident | 78.1 | Confident | 1 Ų | 1 | 48.5 Ų | 48.5 | 1% | 0.005 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -62.3 | -48 | 172.6 | -82.7 | 167.5 | 0 | 0 | 0 | 111.2 | W917 L925 L947 V948 F951 K956 T957 A963 R964 L965 | W917-I961 HydrophobicContact CH2-CG1 3.85Å; L925-I961 HydrophobicContact CD1-CG2 3.9Å; L947-I961 HydrophobicContact CB-CG2 4.1Å; V948-I961 HydrophobicContact CB-CD1 4.26Å; V948-I961 HydrophobicContact CG2-CB 4.41Å; V948-I961 HydrophobicContact CG2-CD1 3.67Å; F951-I961 HydrophobicContact CB-CD1 4.18Å; F951-I961 HydrophobicContact CD1-CD1 4.21Å; F951-I961 HydrophobicContact CG-CD1 4.09Å; K956-I961 HydrophobicContact CB-CD1 4.05Å; K956-I961 HydrophobicContact CB-CG1 4.2Å; T957-I961 PolarHBondContact O-N 3.13Å; I961-A963 PolarHBondContact O-N 3.44Å; I961-R964 PolarHBondContact O-N 3.01Å; I961-L965 HydrophobicContact CG2-CD1 4.4Å; I961-L965 WeakPolarHBondContact O-CG 3.43Å; I961-L965 PolarHBondContact O-N 3.23Å |
| 962 | V | 81 | Confident | 77.1 | Confident | 1 Ų | 1 | 53.2 Ų | 53.2 | 1% | 0.006 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -62.4 | -43.4 | 176.4 | 171.9 | 0 | 0 | 0 | 0 | 111.9 | I768 A944 R958 R959 R964 L965 I966 I971 L974 L977 | I768-V962 HydrophobicContact CG1-CG1 4.49Å; I768-V962 HydrophobicContact CG2-CB 4.26Å; I768-V962 HydrophobicContact CG2-CG1 3.83Å; A944-V962 HydrophobicContact CB-CG2 3.85Å; R958-V962 HydrophobicContact CG-CG2 4.48Å; R958-V962 WeakPolarHBondContact O-CB 3.03Å; R958-V962 VanDerWaalsContact O-CG2 3.28Å; R958-V962 WeakPolarHBondContact O-CG2 3.33Å; R958-V962 PolarHBondContact O-N 3.33Å; R959-V962 PolarHBondContact O-N 2.98Å; V962-R964 VanDerWaalsContact C-N 3.31Å; V962-R964 PolarHBondContact O-N 3.5Å; V962-L965 PolarHBondContact O-N 3Å; V962-I966 HydrophobicContact CG1-CD1 4.22Å; V962-I966 WeakPolarHBondContact O-CG1 3.22Å; V962-I966 PolarHBondContact O-N 3.4Å; V962-I966 VanDerWaalsContact O-N 3.12Å; V962-I971 HydrophobicContact CG1-CD1 4.32Å; V962-L974 HydrophobicContact CG1-CB 4.14Å; V962-L974 HydrophobicContact CG1-CD1 4.01Å; V962-L974 HydrophobicContact CG2-CD1 4.15Å; V962-L977 HydrophobicContact CG2-CD2 3.87Å |
| 963 | A | 75.8 | Confident | 76.8 | Confident | 26 Ų | 26 | 49.9 Ų | 49.9 | 22% | 0.215 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -60.8 | -40.8 | 176.1 | 0 | 0 | 0 | 0 | 0 | 111.6 | I768 R959 Q960 I961 I966 T967 | I768-A963 HydrophobicContact CD1-CB 4.19Å; R959-A963 VanDerWaalsContact O-CB 3.29Å; R959-A963 WeakPolarHBondContact O-CB 3.12Å; R959-A963 PolarHBondContact O-N 3.29Å; Q960-A963 PolarHBondContact O-N 2.97Å; I961-A963 PolarHBondContact O-N 3.44Å; A963-I966 WeakPolarHBondContact O-CB 3.43Å; A963-I966 PolarHBondContact O-N 2.96Å; A963-T967 PolarHBondContact O-N 2.83Å; A963-T967 PolarHBondContact O-OG1 3.04Å |
| 964 | R | 81.4 | Confident | 76.2 | Confident | 63 Ų | 63 | 48.4 Ų | 48.4 | 24% | 0.238 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -68.8 | -38.1 | 177.6 | -162.8 | 65.1 | 176 | 163.6 | -0.3 | 112.5 | W917 D922 L925 Q960 I961 V962 I966 T967 L968 | W917-R964 HydrophobicContact CD2-CG 4.29Å; W917-R964 HydrophobicContact CE3-CG 4Å; W917-R964 HydrophobicContact CH2-CB 3.97Å; W917-R964 HydrophobicContact CH2-CG 4.21Å; W917-R964 HydrophobicContact CZ2-CB 4.1Å; W917-R964 HydrophobicContact CZ2-CG 4.45Å; W917-R964 HydrophobicContact CZ3-CB 4.24Å; W917-R964 HydrophobicContact CZ3-CG 3.97Å; D922-R964 WeakPolarHBondContact OD1-CG 3.43Å; D922-R964 IonicContact OD1-CZ 3.98Å; D922-R964 IonicContact OD1-NE 3.49Å; D922-R964 PolarHBondContact OD1-NE 3.39Å; D922-R964 IonicContact OD1-NH2 2.64Å; D922-R964 PolarHBondContact OD1-NH2 3.46Å; D922-R964 IonicContact OD2-CZ 3.52Å; D922-R964 IonicContact OD2-NE 2.84Å; D922-R964 IonicContact OD2-NH2 3.33Å; D922-R964 PolarHBondContact OD2-NH2 3.05Å; L925-R964 HydrophobicContact CD2-CB 3.88Å; L925-R964 HydrophobicContact CD2-CG 3.98Å; Q960-R964 WeakPolarHBondContact O-CB 3.28Å; Q960-R964 PolarHBondContact O-N 3.08Å; I961-R964 PolarHBondContact O-N 3.01Å; V962-R964 VanDerWaalsContact C-N 3.31Å; V962-R964 PolarHBondContact O-N 3.5Å; R964-I966 PolarHBondContact O-N 3.32Å; R964-T967 WeakPolarHBondContact O-CB 3.4Å; R964-T967 PolarHBondContact O-N 3.03Å; R964-T967 VanDerWaalsContact O-N 3.11Å; R964-L968 HydrophobicContact CG-CD1 4.2Å; R964-L968 HydrophobicContact CG-CG 4.43Å; R964-L968 WeakPolarHBondContact O-CB 3.26Å; R964-L968 VanDerWaalsContact O-CG 3.31Å; R964-L968 WeakPolarHBondContact O-CG 3.28Å; R964-L968 PolarHBondContact O-N 2.9Å |
| 965 | L | 80.2 | Confident | 75.9 | Confident | 0 Ų | 0 | 49.9 Ų | 49.9 | 0% | 0 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -59.3 | -34.9 | 170.9 | -68.6 | 170.2 | 0 | 0 | 0 | 112.6 | L925 F929 L947 I961 V962 G969 L970 I971 L977 | L925-L965 HydrophobicContact CD1-CD2 3.84Å; L925-L965 HydrophobicContact CD1-CG 4.19Å; L925-L965 HydrophobicContact CD2-CD2 4.06Å; L925-L965 HydrophobicContact CD2-CG 4.16Å; L925-L965 HydrophobicContact CG-CD2 3.71Å; L925-L965 HydrophobicContact CG-CG 4.26Å; F929-L965 HydrophobicContact CB-CD2 4.11Å; F929-L965 HydrophobicContact CD2-CD1 4.46Å; F929-L965 HydrophobicContact CD2-CD2 4.09Å; F929-L965 HydrophobicContact CG-CD2 4.15Å; L947-L965 HydrophobicContact CD1-CD1 3.66Å; L947-L965 HydrophobicContact CD1-CD2 4.47Å; I961-L965 HydrophobicContact CG2-CD1 4.4Å; I961-L965 WeakPolarHBondContact O-CG 3.43Å; I961-L965 PolarHBondContact O-N 3.23Å; V962-L965 PolarHBondContact O-N 3Å; L965-G969 PolarHBondContact O-N 3.47Å; L965-L970 HydrophobicContact CD2-CB 4.41Å; L965-L970 HydrophobicContact CD2-CD1 3.77Å; L965-L970 PolarHBondContact O-N 2.69Å; L965-I971 HydrophobicContact CB-CD1 3.82Å; L965-I971 HydrophobicContact CB-CG1 3.85Å; L965-I971 HydrophobicContact CD1-CD1 4.32Å; L965-I971 PolarHBondContact O-N 2.84Å; L965-L977 HydrophobicContact CD1-CD1 4.34Å; L965-L977 HydrophobicContact CD1-CD2 4.31Å |
| 966 | I | 75 | Confident | 75.7 | Confident | 27 Ų | 27 | 50 Ų | 50 | 14% | 0.138 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -71.1 | -42.9 | 172.9 | -64.4 | 164.9 | 0 | 0 | 0 | 110.6 | L766 I768 V962 A963 R964 L968 G969 I971 | L766-I966 HydrophobicContact CD1-CG2 4.44Å; L766-I966 HydrophobicContact CD2-CG2 4.18Å; I768-I966 HydrophobicContact CD1-CD1 3.78Å; I768-I966 HydrophobicContact CG1-CD1 4Å; V962-I966 HydrophobicContact CG1-CD1 4.22Å; V962-I966 WeakPolarHBondContact O-CG1 3.22Å; V962-I966 PolarHBondContact O-N 3.4Å; V962-I966 VanDerWaalsContact O-N 3.12Å; A963-I966 WeakPolarHBondContact O-CB 3.43Å; A963-I966 PolarHBondContact O-N 2.96Å; R964-I966 PolarHBondContact O-N 3.32Å; I966-L968 VanDerWaalsContact C-N 3.31Å; I966-L968 PolarHBondContact O-N 3.2Å; I966-G969 PolarHBondContact O-N 3.33Å; I966-I971 HydrophobicContact CG1-CD1 3.92Å; I966-I971 HydrophobicContact CG1-CG1 3.7Å |
| 967 | T | 76.5 | Confident | 75.4 | Confident | 84 Ų | 84 | 49.8 Ų | 49.8 | 52% | 0.515 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -60.8 | -40.1 | 176 | -43.7 | 0 | 0 | 0 | 0 | 112.1 | A963 R964 G969 | A963-T967 PolarHBondContact O-N 2.83Å; A963-T967 PolarHBondContact O-OG1 3.04Å; R964-T967 WeakPolarHBondContact O-CB 3.4Å; R964-T967 PolarHBondContact O-N 3.03Å; R964-T967 VanDerWaalsContact O-N 3.11Å; T967-G969 PolarHBondContact O-N 2.74Å |
| 968 | L | 77.5 | Confident | 74.8 | Confident | 62 Ų | 62 | 49.5 Ų | 49.5 | 33% | 0.325 | 26% | 0.259 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -75.2 | -3.2 | 176.4 | -65.8 | 172.3 | 0 | 0 | 0 | 113.2 | D922 L925 R964 I966 L970 | D922-L968 HydrophobicContact CB-CD1 4.32Å; D922-L968 HydrophobicContact CB-CD2 4.3Å; L925-L968 HydrophobicContact CD2-CD1 4.28Å; R964-L968 HydrophobicContact CG-CD1 4.2Å; R964-L968 HydrophobicContact CG-CG 4.43Å; R964-L968 WeakPolarHBondContact O-CB 3.26Å; R964-L968 VanDerWaalsContact O-CG 3.31Å; R964-L968 WeakPolarHBondContact O-CG 3.28Å; R964-L968 PolarHBondContact O-N 2.9Å; I966-L968 VanDerWaalsContact C-N 3.31Å; I966-L968 PolarHBondContact O-N 3.2Å; L968-L970 HydrophobicContact CB-CD1 4.17Å; L968-L970 HydrophobicContact CB-CG 4.16Å; L968-L970 HydrophobicContact CD1-CD1 4.39Å; L968-L970 PolarHBondContact O-N 2.95Å |
| 969 | G | 73.2 | Confident | 74.3 | Confident | 61 Ų | 61 | 53.8 Ų | 53.8 | 63% | 0.629 | 28% | 0.282 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 71.6 | 7.7 | 178.1 | 0 | 0 | 0 | 0 | 0 | 115.4 | L965 I966 T967 I971 | L965-G969 PolarHBondContact O-N 3.47Å; I966-G969 PolarHBondContact O-N 3.33Å; T967-G969 PolarHBondContact O-N 2.74Å; G969-I971 VanDerWaalsContact C-N 3.29Å; G969-I971 PolarHBondContact O-N 3.29Å |
| 970 | L | 75.9 | Confident | 74.1 | Confident | 47 Ų | 47 | 50 Ų | 50 | 25% | 0.246 | 27% | 0.27 | C | S | . | . | S | Bend | trans | -70.4 | -26.4 | -179.4 | -64.9 | 172.1 | 0 | 0 | 0 | 112.3 | T926 F929 L965 L968 | T926-L970 HydrophobicContact CG2-CD1 4.25Å; T926-L970 HydrophobicContact CG2-CD2 4.39Å; F929-L970 HydrophobicContact CB-CD1 4.45Å; F929-L970 HydrophobicContact CD1-CB 4.06Å; F929-L970 HydrophobicContact CD1-CD1 4.1Å; F929-L970 HydrophobicContact CD1-CD2 4.22Å; F929-L970 HydrophobicContact CD1-CG 4.36Å; F929-L970 HydrophobicContact CE1-CB 3.89Å; F929-L970 HydrophobicContact CE1-CD2 4.4Å; F929-L970 HydrophobicContact CG-CD1 4.39Å; F929-L970 HydrophobicContact CZ-CB 4.37Å; L965-L970 HydrophobicContact CD2-CB 4.41Å; L965-L970 HydrophobicContact CD2-CD1 3.77Å; L965-L970 PolarHBondContact O-N 2.69Å; L968-L970 HydrophobicContact CB-CD1 4.17Å; L968-L970 HydrophobicContact CB-CG 4.16Å; L968-L970 HydrophobicContact CD1-CD1 4.39Å; L968-L970 PolarHBondContact O-N 2.95Å |
| 971 | I | 74.9 | Confident | 73.6 | Confident | 3 Ų | 3 | 48.3 Ų | 48.3 | 2% | 0.015 | 26% | 0.263 | C | S | . | . | trans | -137.3 | 150.2 | 169.9 | 57.6 | 176.9 | 0 | 0 | 0 | 110 | F929 V962 L965 I966 G969 L977 I980 | F929-I971 HydrophobicContact CE2-CG2 4.06Å; F929-I971 HydrophobicContact CZ-CG2 3.94Å; V962-I971 HydrophobicContact CG1-CD1 4.32Å; L965-I971 HydrophobicContact CB-CD1 3.82Å; L965-I971 HydrophobicContact CB-CG1 3.85Å; L965-I971 HydrophobicContact CD1-CD1 4.32Å; L965-I971 PolarHBondContact O-N 2.84Å; I966-I971 HydrophobicContact CG1-CD1 3.92Å; I966-I971 HydrophobicContact CG1-CG1 3.7Å; G969-I971 VanDerWaalsContact C-N 3.29Å; G969-I971 PolarHBondContact O-N 3.29Å; I971-L977 HydrophobicContact CD1-CB 3.94Å; I971-L977 HydrophobicContact CD1-CD1 4.3Å; I971-L977 HydrophobicContact CD1-CD2 4.1Å; I971-L977 HydrophobicContact CD1-CG 4.35Å; I971-L977 HydrophobicContact CG2-CB 4.36Å; I971-L977 HydrophobicContact CG2-CD1 4.07Å; I971-I980 HydrophobicContact CG2-CD1 4.19Å | ||
| 972 | T | 65.4 | Low | 72.8 | Confident | 111 Ų | 111 | 51 Ų | 51 | 68% | 0.681 | 28% | 0.28 | S | S | * | . | S | Bend | trans | -89.4 | -20.2 | 175.4 | 61.7 | 0 | 0 | 0 | 0 | 113.2 | Q976 | T972-Q976 PolarHBondContact OG1-OE1 3.3Š|
| 973 | S | 72 | Confident | 71.7 | Confident | 30 Ų | 30 | 58.5 Ų | 58.5 | 21% | 0.21 | 31% | 0.308 | C | S | . | . | S | Bend | trans | -164.3 | 164.1 | 177.5 | 64.3 | 0 | 0 | 0 | 0 | 111.2 | K975 Q976 L977 | S973-K975 PolarHBondContact O-N 3.27Å; S973-K975 PolarHBondContact OG-N 3.15Å; S973-Q976 PolarHBondContact O-N 2.91Å; S973-Q976 PolarHBondContact OG-N 3.13Å; S973-L977 PolarHBondContact O-N 3.08Å |
| 974 | L | 66 | Low | 70.7 | Confident | 6 Ų | 6 | 59 Ų | 59 | 3% | 0.031 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -61.2 | -25.9 | 172 | 175.3 | 59.5 | 0 | 0 | 0 | 113 | I768 D770 V962 L977 K978 | I768-L974 HydrophobicContact CG2-CD2 4.25Å; D770-L974 HydrophobicContact CB-CD2 4.03Å; V962-L974 HydrophobicContact CG1-CB 4.14Å; V962-L974 HydrophobicContact CG1-CD1 4.01Å; V962-L974 HydrophobicContact CG2-CD1 4.15Å; L974-L977 HydrophobicContact CD1-CB 4.43Å; L974-L977 HydrophobicContact CD1-CD2 4.12Å; L974-L977 PolarHBondContact O-N 3.42Å; L974-K978 PolarHBondContact O-N 3.03Å |
| 975 | K | 68.7 | Low | 68.9 | Low | 151 Ų | 151 | 62.3 Ų | 62.3 | 66% | 0.657 | 34% | 0.339 | S | S | * | . | H | α-helix | trans | -63 | -47.4 | 174.8 | -66.2 | -177.3 | -179.7 | 178 | 0 | 111 | S973 L977 K978 E979 | S973-K975 PolarHBondContact O-N 3.27Å; S973-K975 PolarHBondContact OG-N 3.15Å; K975-L977 PolarHBondContact O-N 3.35Å; K975-K978 WeakPolarHBondContact O-CB 3.45Å; K975-K978 PolarHBondContact O-N 3.5Å; K975-E979 PolarHBondContact O-N 3.11Å; K975-E979 VanDerWaalsContact O-N 3.1Å |
| 976 | Q | 69.7 | Low | 67.2 | Low | 57 Ų | 57 | 67.2 Ų | 67.2 | 27% | 0.266 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -59.3 | -36.4 | 177.1 | -168.3 | -173.3 | -10.1 | 0 | 0 | 111.9 | T972 S973 K978 E979 I980 | T972-Q976 PolarHBondContact OG1-OE1 3.3Å; S973-Q976 PolarHBondContact O-N 2.91Å; S973-Q976 PolarHBondContact OG-N 3.13Å; Q976-K978 VanDerWaalsContact C-N 3.26Å; Q976-K978 PolarHBondContact O-N 3.26Å; Q976-E979 PolarHBondContact O-N 2.67Å; Q976-E979 VanDerWaalsContact O-N 3.14Å; Q976-I980 HydrophobicContact CG-CD1 3.95Å; Q976-I980 VanDerWaalsContact O-CG1 3.29Å; Q976-I980 WeakPolarHBondContact O-CG1 3.39Å; Q976-I980 PolarHBondContact O-N 2.96Å |
| 977 | L | 72.4 | Confident | 65.3 | Low | 2 Ų | 2 | 71.7 Ų | 71.7 | 1% | 0.01 | 39% | 0.391 | C | S | . | . | H | α-helix | trans | -63.1 | -31.1 | 176.2 | -169.3 | 65.7 | 0 | 0 | 0 | 112.9 | F929 L943 A944 V962 L965 I971 S973 L974 K975 T981 | F929-L977 HydrophobicContact CD2-CD1 4.39Å; F929-L977 HydrophobicContact CE2-CD1 3.76Å; L943-L977 HydrophobicContact CB-CD1 4.35Å; L943-L977 HydrophobicContact CD2-CD1 3.81Å; L943-L977 HydrophobicContact CG-CD1 4.18Å; A944-L977 HydrophobicContact CB-CD2 3.82Å; V962-L977 HydrophobicContact CG2-CD2 3.87Å; L965-L977 HydrophobicContact CD1-CD1 4.34Å; L965-L977 HydrophobicContact CD1-CD2 4.31Å; I971-L977 HydrophobicContact CD1-CB 3.94Å; I971-L977 HydrophobicContact CD1-CD1 4.3Å; I971-L977 HydrophobicContact CD1-CD2 4.1Å; I971-L977 HydrophobicContact CD1-CG 4.35Å; I971-L977 HydrophobicContact CG2-CB 4.36Å; I971-L977 HydrophobicContact CG2-CD1 4.07Å; S973-L977 PolarHBondContact O-N 3.08Å; L974-L977 HydrophobicContact CD1-CB 4.43Å; L974-L977 HydrophobicContact CD1-CD2 4.12Å; L974-L977 PolarHBondContact O-N 3.42Å; K975-L977 PolarHBondContact O-N 3.35Å; L977-T981 PolarHBondContact O-N 2.91Å |
| 978 | K | 68.4 | Low | 63.1 | Low | 66 Ų | 66 | 71.6 Ų | 71.6 | 29% | 0.287 | 39% | 0.387 | S | S | . | . | H | α-helix | trans | -83.2 | -18.1 | 174.1 | -70.3 | 177.8 | -180 | -82.7 | 0 | 114.1 | D770 D942 L974 K975 Q976 T981 | D770-K978 WeakPolarHBondContact OD1-CE 3.39Å; D770-K978 IonicContact OD1-NZ 2.72Å; D770-K978 PolarHBondContact OD1-NZ 3.29Å; D770-K978 WeakPolarHBondContact OD2-CE 3.48Å; D770-K978 IonicContact OD2-NZ 3.39Å; D770-K978 PolarHBondContact OD2-NZ 3.1Å; D942-K978 IonicContact OD1-NZ 2.7Å; D942-K978 IonicContact OD2-NZ 3.48Å; D942-K978 PolarHBondContact OD2-NZ 3.42Å; L974-K978 PolarHBondContact O-N 3.03Å; K975-K978 WeakPolarHBondContact O-CB 3.45Å; K975-K978 PolarHBondContact O-N 3.5Å; Q976-K978 VanDerWaalsContact C-N 3.26Å; Q976-K978 PolarHBondContact O-N 3.26Å; K978-T981 VanDerWaalsContact C-OG1 3.3Å; K978-T981 WeakPolarHBondContact CA-OG1 3.33Å; K978-T981 PolarHBondContact O-OG1 2.95Å |
| 979 | E | 69.1 | Low | 61.1 | Low | 157 Ų | 157 | 74.8 Ų | 74.8 | 73% | 0.734 | 42% | 0.415 | S | S | * | . | H | α-helix | trans | -80.2 | -31.3 | 169.1 | -68.7 | 167.3 | -177.5 | 0 | 0 | 110.8 | K975 Q976 | K975-E979 PolarHBondContact O-N 3.11Å; K975-E979 VanDerWaalsContact O-N 3.1Å; Q976-E979 PolarHBondContact O-N 2.67Å; Q976-E979 VanDerWaalsContact O-N 3.14Å |
| 980 | I | 69.7 | Low | 59.2 | Low | 43 Ų | 43 | 75 Ų | 75 | 22% | 0.221 | 42% | 0.416 | C | S | . | . | H | α-helix | trans | -75.7 | -24.4 | 174.9 | -68.4 | 166.1 | 0 | 0 | 0 | 112.3 | F929 R933 L943 I971 Q976 V982 | F929-I980 HydrophobicContact CZ-CD1 4.34Å; R933-I980 HydrophobicContact CB-CG2 3.9Å; L943-I980 HydrophobicContact CD2-CG2 4.02Å; I971-I980 HydrophobicContact CG2-CD1 4.19Å; Q976-I980 HydrophobicContact CG-CD1 3.95Å; Q976-I980 VanDerWaalsContact O-CG1 3.29Å; Q976-I980 WeakPolarHBondContact O-CG1 3.39Å; Q976-I980 PolarHBondContact O-N 2.96Å; I980-V982 PolarHBondContact O-N 3.14Å |
| 981 | T | 71 | Confident | 56.9 | Low | 17 Ų | 17 | 84.2 Ų | 84.2 | 10% | 0.104 | 45% | 0.448 | C | S | . | . | trans | -61.6 | 100.2 | 178.3 | 36.3 | 0 | 0 | 0 | 0 | 113.4 | V937 D942 L943 L977 K978 R983 | V937-T981 HydrophobicContact CG2-CG2 4.31Å; D942-T981 HydrophobicContact CB-CG2 4.03Å; L943-T981 HydrophobicContact CB-CG2 3.48Å; L943-T981 VanDerWaalsContact CB-CG2 3.48Å; L977-T981 PolarHBondContact O-N 2.91Å; K978-T981 VanDerWaalsContact C-OG1 3.3Å; K978-T981 WeakPolarHBondContact CA-OG1 3.33Å; K978-T981 PolarHBondContact O-OG1 2.95Å; T981-R983 PolarHBondContact O-N 3.28Å | ||
| 982 | V | 64.8 | Low | 54.8 | Low | 58 Ų | 58 | 91.1 Ų | 91.1 | 35% | 0.352 | 48% | 0.484 | S | S | . | . | trans | -62.5 | 128.5 | 160.7 | -176.6 | 0 | 0 | 0 | 0 | 108.1 | P936 V937 I980 | P936-V982 HydrophobicContact CB-CG1 4.39Å; V937-V982 PolarHBondContact N-O 3.4Å; I980-V982 PolarHBondContact O-N 3.14Å | ||
| 983 | R | 59.1 | Low | 53.1 | Low | 157 Ų | 157 | 92.1 Ų | 92.1 | 59% | 0.592 | 48% | 0.476 | S | S | * | . | trans | -118.9 | 133.6 | 178.7 | -71.2 | 178.7 | 171.3 | -168.4 | -4.1 | 109.2 | D942 T981 | D942-R983 IonicContact OD1-CZ 3.83Å; D942-R983 IonicContact OD1-NH2 2.79Å; D942-R983 PolarHBondContact OD1-NH2 3.04Å; T981-R983 PolarHBondContact O-N 3.28Å | ||
| 984 | P | 53.1 | Low | 51 | Low | 36 Ų | 36 | 102 Ų | 102 | 23% | 0.234 | 51% | 0.509 | C | S | . | . | trans | -66.1 | 146.7 | 172.7 | 26.2 | -27.2 | 0 | 0 | 0 | 109.5 | P936 V937 K986 | P936-P984 HydrophobicContact CB-CB 3.88Å; P936-P984 HydrophobicContact CB-CG 4.15Å; V937-P984 WeakPolarHBondContact O-CD 3.43Å; P984-K986 HydrophobicContact CB-CG 4.46Å; P984-K986 HydrophobicContact CG-CD 4.12Å; P984-K986 HydrophobicContact CG-CG 4.16Å; P984-K986 PolarHBondContact O-N 3.46Å | ||
| 985 | P | 44 | Very low | 49.4 | Very low | 134 Ų | 134 | 109.8 Ų | 109.8 | 87% | 0.87 | 55% | 0.549 | S | S | * | . | trans | -59.4 | 126.6 | 166.3 | 27.8 | -33.6 | 0 | 0 | 0 | 108.3 | ||||
| 986 | K | 44.5 | Very low | 47.6 | Very low | 102 Ų | 102 | 109.8 Ų | 109.8 | 44% | 0.443 | 56% | 0.555 | S | S | . | * | trans | -137.8 | 144 | -176 | -87.1 | -169.9 | 166.2 | -149.1 | 0 | 112.8 | S939 P984 | S939-K986 WeakPolarHBondContact OG-CD 3.31Å; S939-K986 PolarHBondContact OG-NZ 2.93Å; P984-K986 HydrophobicContact CB-CG 4.46Å; P984-K986 HydrophobicContact CG-CD 4.12Å; P984-K986 HydrophobicContact CG-CG 4.16Å; P984-K986 PolarHBondContact O-N 3.46Å | ||
| 987 | P | 34.4 | Very low | 45.9 | Very low | 121 Ų | 121 | 112.5 Ų | 112.5 | 79% | 0.786 | 57% | 0.572 | S | S | * | * | trans | -70.9 | 153.1 | -173.5 | 30.3 | -36.4 | 0 | 0 | 0 | 112.2 | ||||
| 988 | L | 31.7 | Very low | 44.3 | Very low | 83 Ų | 83 | 116.2 Ų | 116.2 | 44% | 0.435 | 59% | 0.592 | S | S | . | * | trans | -96.9 | 123.6 | -167.1 | -75.7 | 81.4 | 0 | 0 | 0 | 114.1 | S1001 | L988-S1001 WeakPolarHBondContact CD1-OG 3.24Š| ||
| 989 | S | 35.6 | Very low | 43.1 | Very low | 129 Ų | 129 | 113.6 Ų | 113.6 | 90% | 0.902 | 58% | 0.583 | S | S | * | * | trans | -158.1 | 145.8 | 157.4 | -176.3 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 990 | G | 31.8 | Very low | 42.2 | Very low | 64 Ų | 64 | 108.3 Ų | 108.3 | 66% | 0.66 | 56% | 0.559 | S | S | * | * | cis | -179.8 | 17.3 | -1.1 | 0 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 991 | R | 28.3 | Very low | 41.2 | Very low | 242 Ų | 242 | 109.7 Ų | 109.7 | 91% | 0.913 | 57% | 0.573 | S | S | * | * | S | Bend | trans | -155.9 | 58.6 | 179.5 | -121.9 | 172.1 | -168.7 | 178.5 | 4.1 | 116.2 | ||
| 992 | N | 30.8 | Very low | 40.8 | Very low | 147 Ų | 147 | 110.8 Ų | 110.8 | 79% | 0.786 | 58% | 0.581 | S | S | * | * | trans | -156.1 | 94.1 | 153.2 | -97.9 | -26.5 | 0 | 0 | 0 | 108.1 | N998 | N992-N998 PolarHBondContact O-ND2 3.25Š| ||
| 993 | R | 29.2 | Very low | 41.1 | Very low | 132 Ų | 132 | 116.3 Ų | 116.3 | 50% | 0.498 | 60% | 0.603 | S | S | . | * | trans | -141.3 | 63.9 | -172.5 | -172.6 | -168.7 | -78.1 | 173.5 | -5.6 | 110.9 | N998 | R993-N998 HydrophobicContact CB-CB 4.01Å; R993-N998 HydrophobicContact CG-CB 3.72Å; R993-N998 VanDerWaalsContact NE-C 3.35Å; R993-N998 PolarHBondContact NE-O 3.11Å; R993-N998 PolarHBondContact NH2-O 3.16Å | ||
| 994 | R | 29.4 | Very low | 42.1 | Very low | 239 Ų | 239 | 111 Ų | 111 | 90% | 0.902 | 58% | 0.583 | S | S | * | * | S | Bend | trans | -148.6 | 136.8 | 155.6 | -89 | 178.5 | -167.3 | -170.8 | 2.1 | 105.8 | ||
| 995 | L | 31.1 | Very low | 43.4 | Very low | 169 Ų | 169 | 111.6 Ų | 111.6 | 89% | 0.885 | 59% | 0.586 | S | S | * | * | S | Bend | trans | 65.4 | 116.5 | -156.7 | -47.8 | 175.5 | 0 | 0 | 0 | 111.7 | ||
| 996 | L | 31 | Very low | 45.3 | Very low | 150 Ų | 150 | 113.6 Ų | 113.6 | 79% | 0.785 | 58% | 0.584 | S | S | * | * | S | Bend | trans | 65.5 | 86.2 | -179 | -56.5 | 173.4 | 0 | 0 | 0 | 117.3 | N998 | L996-N998 VanDerWaalsContact C-N 3.33Å; L996-N998 PolarHBondContact O-N 2.93Å |
| 997 | N | 34.8 | Very low | 47 | Very low | 115 Ų | 115 | 115.9 Ų | 115.9 | 62% | 0.615 | 60% | 0.596 | S | S | * | * | trans | 41.1 | 21.9 | 138.8 | -72.1 | 27.6 | 0 | 0 | 0 | 122.9 | G999 E1000 | N997-G999 PolarHBondContact O-N 3.4Å; N997-E1000 PolarHBondContact ND2-OE2 3.06Å; N997-E1000 PolarHBondContact O-N 2.85Å | ||
| 998 | N | 37.4 | Very low | 49.3 | Very low | 79 Ų | 79 | 111 Ų | 111 | 42% | 0.422 | 56% | 0.563 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -65.3 | 15.7 | 178 | -104.7 | -24.1 | 0 | 0 | 0 | 116.3 | N992 R993 L996 | N992-N998 PolarHBondContact O-ND2 3.25Å; R993-N998 HydrophobicContact CB-CB 4.01Å; R993-N998 HydrophobicContact CG-CB 3.72Å; R993-N998 VanDerWaalsContact NE-C 3.35Å; R993-N998 PolarHBondContact NE-O 3.11Å; R993-N998 PolarHBondContact NH2-O 3.16Å; L996-N998 VanDerWaalsContact C-N 3.33Å; L996-N998 PolarHBondContact O-N 2.93Å |
| 999 | G | 44.2 | Very low | 52 | Low | 11 Ų | 11 | 108.3 Ų | 108.3 | 11% | 0.113 | 55% | 0.548 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -97.4 | -3.8 | 175.4 | 0 | 0 | 0 | 0 | 0 | 115 | N997 | N997-G999 PolarHBondContact O-N 3.4Š|
| 1000 | E | 51 | Low | 54.4 | Low | 46 Ų | 46 | 104.3 Ų | 104.3 | 22% | 0.215 | 52% | 0.523 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -87.4 | -5.2 | -170.4 | -61.4 | -168.2 | 102.5 | 0 | 0 | 115.2 | N997 A1065 R1067 V1068 | N997-E1000 PolarHBondContact ND2-OE2 3.06Å; N997-E1000 PolarHBondContact O-N 2.85Å; E1000-A1065 HydrophobicContact CG-CB 4Å; E1000-A1065 WeakPolarHBondContact OE1-CB 3.33Å; E1000-R1067 IonicContact OE1-CZ 2.68Å; E1000-R1067 VanDerWaalsContact OE1-CZ 3.26Å; E1000-R1067 IonicContact OE1-NE 3.44Å; E1000-R1067 PolarHBondContact OE1-NE 3.24Å; E1000-R1067 IonicContact OE1-NH2 3.93Å; E1000-R1067 PolarHBondContact OE1-NH2 3.28Å; E1000-R1067 IonicContact OE2-CZ 2.83Å; E1000-R1067 IonicContact OE2-NE 2.72Å; E1000-R1067 IonicContact OE2-NH2 2.89Å; E1000-R1067 PolarHBondContact OE2-NH2 3.18Å; E1000-V1068 HydrophobicContact CB-CG2 3.92Å; E1000-V1068 HydrophobicContact CG-CG2 4.07Å |
| 1001 | S | 48.3 | Very low | 57 | Low | 73 Ų | 73 | 106.2 Ų | 106.2 | 51% | 0.51 | 51% | 0.51 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -144.8 | 36.5 | -174.8 | -169.5 | 0 | 0 | 0 | 0 | 114.1 | L988 | L988-S1001 WeakPolarHBondContact CD1-OG 3.24Š|
| 1002 | S | 62.3 | Low | 59.9 | Low | 39 Ų | 39 | 94.8 Ų | 94.8 | 27% | 0.273 | 47% | 0.467 | S | S | . | . | S | Bend | trans | -77.1 | 143.8 | 153 | -84.2 | 0 | 0 | 0 | 0 | 108.8 | R1064 | S1002-R1064 PolarHBondContact O-NH1 3.32Š|
| 1003 | E | 71.5 | Confident | 62.7 | Low | 175 Ų | 175 | 93.3 Ų | 93.3 | 82% | 0.818 | 45% | 0.451 | S | S | * | . | P | Polyproline II helix | trans | -60.7 | 155.8 | 167.1 | -69.8 | 172.1 | -177.3 | 0 | 0 | 110.5 | R1064 | E1003-R1064 PolarHBondContact O-NH2 2.92Š|
| 1004 | W | 78.8 | Confident | 65.6 | Low | 45 Ų | 45 | 91.6 Ų | 91.6 | 17% | 0.17 | 45% | 0.451 | C | S | . | . | P | Polyproline II helix | trans | -91.8 | 124.7 | 178.1 | -74.7 | 85.5 | 0 | 0 | 0 | 109.2 | E1008 I1009 L1012 V1069 K1072 | W1004-E1008 WeakPolarHBondContact CA-OE2 3.12Å; W1004-E1008 HydrophobicContact CE3-CB 3.89Å; W1004-E1008 HydrophobicContact CZ3-CB 4.39Å; W1004-I1009 HydrophobicContact CB-CD1 3.89Å; W1004-I1009 HydrophobicContact CB-CG1 3.86Å; W1004-L1012 HydrophobicContact CH2-CD2 3.86Å; W1004-L1012 HydrophobicContact CZ3-CD2 3.8Å; W1004-V1069 HydrophobicContact CH2-CG2 4.21Å; W1004-V1069 HydrophobicContact CZ2-CG2 4.49Å; W1004-K1072 HydrophobicContact CD2-CB 4.44Å; W1004-K1072 HydrophobicContact CD2-CD 4.44Å; W1004-K1072 HydrophobicContact CD2-CG 3.82Å; W1004-K1072 HydrophobicContact CE3-CG 4.38Å; W1004-K1072 HydrophobicContact CG-CD 4.22Å; W1004-K1072 HydrophobicContact CG-CG 4.13Å; W1004-K1072 HydrophobicContact CH2-CB 4.24Å; W1004-K1072 HydrophobicContact CH2-CG 4.38Å; W1004-K1072 HydrophobicContact CZ2-CB 3.5Å; W1004-K1072 VanDerWaalsContact CZ2-CB 3.5Å; W1004-K1072 HydrophobicContact CZ2-CG 3.8Å |
| 1005 | T | 82 | Confident | 68.4 | Low | 48 Ų | 48 | 80.3 Ų | 80.3 | 29% | 0.294 | 41% | 0.409 | S | S | . | . | P | Polyproline II helix | trans | -76.1 | 155.6 | 176.6 | 64.7 | 0 | 0 | 0 | 0 | 111.2 | Q1007 E1008 I1009 Y1059 | T1005-Q1007 PolarHBondContact O-N 3.19Å; T1005-E1008 PolarHBondContact N-OE2 3.17Å; T1005-E1008 PolarHBondContact O-N 2.81Å; T1005-E1008 VanDerWaalsContact O-N 3.14Å; T1005-E1008 WeakPolarHBondContact OG1-CG 3.12Å; T1005-E1008 PolarHBondContact OG1-N 3.16Å; T1005-E1008 PolarHBondContact OG1-OE2 2.91Å; T1005-I1009 WeakPolarHBondContact O-CG1 3.4Å; T1005-I1009 PolarHBondContact O-N 3.21Å; T1005-Y1059 HydrophobicContact CG2-CE2 4.25Å |
| 1006 | E | 82.4 | Confident | 71.1 | Confident | 177 Ų | 177 | 72.3 Ų | 72.3 | 83% | 0.827 | 37% | 0.367 | S | S | * | . | H | α-helix | trans | -58.7 | -33.1 | 177.2 | -63.2 | -171.6 | 144 | 0 | 0 | 112.4 | I1009 A1010 | E1006-I1009 PolarHBondContact O-N 3.46Å; E1006-A1010 WeakPolarHBondContact O-CB 3.38Å; E1006-A1010 PolarHBondContact O-N 2.86Å |
| 1007 | Q | 81.1 | Confident | 73.8 | Confident | 149 Ų | 149 | 70.5 Ų | 70.5 | 70% | 0.696 | 35% | 0.354 | S | S | * | . | H | α-helix | trans | -68.5 | -44.3 | 175.3 | -65.9 | 179 | -6.5 | 0 | 0 | 112.1 | T1005 I1009 A1010 R1011 | T1005-Q1007 PolarHBondContact O-N 3.19Å; Q1007-I1009 VanDerWaalsContact C-N 3.29Å; Q1007-I1009 PolarHBondContact O-N 3.38Å; Q1007-A1010 PolarHBondContact O-N 3.09Å; Q1007-R1011 WeakPolarHBondContact O-CB 3.22Å; Q1007-R1011 PolarHBondContact O-N 3.15Å |
| 1008 | E | 83.3 | Confident | 76.3 | Confident | 20 Ų | 20 | 70.9 Ų | 70.9 | 9% | 0.093 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -61 | -39.2 | 171.4 | -74.9 | 175.1 | 117.5 | 0 | 0 | 111.4 | W1004 T1005 L1012 Y1059 P1061 R1064 | W1004-E1008 WeakPolarHBondContact CA-OE2 3.12Å; W1004-E1008 HydrophobicContact CE3-CB 3.89Å; W1004-E1008 HydrophobicContact CZ3-CB 4.39Å; T1005-E1008 PolarHBondContact N-OE2 3.17Å; T1005-E1008 PolarHBondContact O-N 2.81Å; T1005-E1008 VanDerWaalsContact O-N 3.14Å; T1005-E1008 WeakPolarHBondContact OG1-CG 3.12Å; T1005-E1008 PolarHBondContact OG1-N 3.16Å; T1005-E1008 PolarHBondContact OG1-OE2 2.91Å; E1008-L1012 WeakPolarHBondContact O-CB 3.3Å; E1008-L1012 PolarHBondContact O-N 2.99Å; E1008-Y1059 VanDerWaalsContact CD-OH 3.24Å; E1008-Y1059 PolarHBondContact OE2-OH 3.19Å; E1008-P1061 HydrophobicContact CG-CB 4.25Å; E1008-R1064 VanDerWaalsContact CD-NH2 3.25Å; E1008-R1064 IonicContact OE1-CZ 2.73Å; E1008-R1064 IonicContact OE1-NE 3.75Å; E1008-R1064 PolarHBondContact OE1-NE 3.49Å; E1008-R1064 VanDerWaalsContact OE1-NE 3.12Å; E1008-R1064 IonicContact OE1-NH2 3.73Å; E1008-R1064 PolarHBondContact OE1-NH2 3.46Å; E1008-R1064 IonicContact OE2-CZ 3.96Å; E1008-R1064 IonicContact OE2-NH2 3.87Å; E1008-R1064 PolarHBondContact OE2-NH2 3.04Å |
| 1009 | I | 86.7 | Confident | 78.6 | Confident | 25 Ų | 25 | 68.8 Ų | 68.8 | 13% | 0.128 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -69.4 | -42.6 | -179.7 | -68.5 | 169.5 | 0 | 0 | 0 | 111.1 | W1004 T1005 E1006 Q1007 L1012 R1013 L1076 | W1004-I1009 HydrophobicContact CB-CD1 3.89Å; W1004-I1009 HydrophobicContact CB-CG1 3.86Å; T1005-I1009 WeakPolarHBondContact O-CG1 3.4Å; T1005-I1009 PolarHBondContact O-N 3.21Å; E1006-I1009 PolarHBondContact O-N 3.46Å; Q1007-I1009 VanDerWaalsContact C-N 3.29Å; Q1007-I1009 PolarHBondContact O-N 3.38Å; I1009-L1012 PolarHBondContact O-N 2.68Å; I1009-R1013 WeakPolarHBondContact O-CG 3.47Å; I1009-R1013 PolarHBondContact O-N 2.67Å; I1009-L1076 HydrophobicContact CG2-CD1 3.91Å; I1009-L1076 HydrophobicContact CG2-CD2 3.82Å |
| 1010 | A | 87.6 | Confident | 80.4 | Confident | 45 Ų | 45 | 74 Ų | 74 | 37% | 0.372 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -60.6 | -52.3 | 174.4 | 0 | 0 | 0 | 0 | 0 | 110.8 | E1006 Q1007 L1012 R1013 D1014 | E1006-A1010 WeakPolarHBondContact O-CB 3.38Å; E1006-A1010 PolarHBondContact O-N 2.86Å; Q1007-A1010 PolarHBondContact O-N 3.09Å; A1010-L1012 VanDerWaalsContact C-N 3.29Å; A1010-L1012 PolarHBondContact O-N 2.69Å; A1010-R1013 WeakPolarHBondContact O-CA 3.18Å; A1010-R1013 WeakPolarHBondContact O-CB 3.46Å; A1010-R1013 PolarHBondContact O-N 2.74Å; A1010-D1014 PolarHBondContact O-N 3.38Å; A1010-D1014 VanDerWaalsContact O-N 3.07Å |
| 1011 | R | 86.8 | Confident | 81.5 | Confident | 104 Ų | 104 | 75.2 Ų | 75.2 | 39% | 0.392 | 39% | 0.388 | S | S | . | . | H | α-helix | trans | -61 | -36.1 | 178.4 | -174.4 | 57 | 169.4 | 163.6 | 2.7 | 112.7 | Q1007 D1014 I1015 D1036 | Q1007-R1011 WeakPolarHBondContact O-CB 3.22Å; Q1007-R1011 PolarHBondContact O-N 3.15Å; R1011-D1014 PolarHBondContact O-N 2.88Å; R1011-I1015 HydrophobicContact CG-CD1 3.91Å; R1011-I1015 VanDerWaalsContact O-CG1 3.27Å; R1011-I1015 WeakPolarHBondContact O-CG1 3.48Å; R1011-I1015 PolarHBondContact O-N 2.74Å; R1011-D1036 WeakPolarHBondContact CG-OD2 3.39Å; R1011-D1036 IonicContact CZ-OD1 2.95Å; R1011-D1036 IonicContact CZ-OD2 2.64Å; R1011-D1036 IonicContact NE-OD1 3.12Å; R1011-D1036 IonicContact NE-OD2 2.96Å; R1011-D1036 PolarHBondContact NE-OD2 2.73Å; R1011-D1036 IonicContact NH2-OD1 3.37Å; R1011-D1036 PolarHBondContact NH2-OD1 3.2Å; R1011-D1036 IonicContact NH2-OD2 3.39Å; R1011-D1036 PolarHBondContact NH2-OD2 3.47Å |
| 1012 | L | 88.5 | Confident | 83 | Confident | 3 Ų | 3 | 73.7 Ų | 73.7 | 2% | 0.016 | 38% | 0.377 | C | S | . | . | H | α-helix | trans | -64.8 | -38.2 | 173.4 | -177.7 | 66.9 | 0 | 0 | 0 | 112 | W1004 E1008 I1009 A1010 V1016 I1029 I1033 V1069 K1072 I1073 L1076 | W1004-L1012 HydrophobicContact CH2-CD2 3.86Å; W1004-L1012 HydrophobicContact CZ3-CD2 3.8Å; E1008-L1012 WeakPolarHBondContact O-CB 3.3Å; E1008-L1012 PolarHBondContact O-N 2.99Å; I1009-L1012 PolarHBondContact O-N 2.68Å; A1010-L1012 VanDerWaalsContact C-N 3.29Å; A1010-L1012 PolarHBondContact O-N 2.69Å; L1012-V1016 HydrophobicContact CD1-CG2 4.21Å; L1012-V1016 HydrophobicContact CG-CG2 4.33Å; L1012-V1016 WeakPolarHBondContact O-CB 3.26Å; L1012-V1016 WeakPolarHBondContact O-CG2 3.5Å; L1012-V1016 PolarHBondContact O-N 2.76Å; L1012-I1029 HydrophobicContact CD1-CG2 3.95Å; L1012-I1033 HydrophobicContact CD1-CD1 4.04Å; L1012-V1069 HydrophobicContact CD1-CG1 4.13Å; L1012-K1072 HydrophobicContact CD2-CB 4.4Å; L1012-K1072 HydrophobicContact CD2-CG 4.17Å; L1012-I1073 HydrophobicContact CD1-CD1 4.42Å; L1012-I1073 HydrophobicContact CD1-CG1 4.18Å; L1012-I1073 HydrophobicContact CD2-CG1 4.12Å; L1012-I1073 HydrophobicContact CG-CG1 4.35Å; L1012-L1076 HydrophobicContact CD2-CD1 3.98Å |
| 1013 | R | 89.5 | Confident | 83.7 | Confident | 116 Ų | 116 | 81.4 Ų | 81.4 | 44% | 0.438 | 41% | 0.406 | S | S | . | . | H | α-helix | trans | -61.1 | -47.4 | 172.9 | -70.9 | -172.1 | -118.7 | -103.7 | 8.8 | 111 | I1009 A1010 I1015 V1016 E1017 L1078 | I1009-R1013 WeakPolarHBondContact O-CG 3.47Å; I1009-R1013 PolarHBondContact O-N 2.67Å; A1010-R1013 WeakPolarHBondContact O-CA 3.18Å; A1010-R1013 WeakPolarHBondContact O-CB 3.46Å; A1010-R1013 PolarHBondContact O-N 2.74Å; R1013-I1015 PolarHBondContact O-N 3.19Å; R1013-V1016 PolarHBondContact O-N 3.04Å; R1013-E1017 WeakPolarHBondContact O-CB 3.25Å; R1013-E1017 PolarHBondContact O-N 3.28Å; R1013-L1078 HydrophobicContact CG-CD1 3.89Å; R1013-L1078 HydrophobicContact CG-CD2 3.82Å; R1013-L1078 HydrophobicContact CG-CG 4.49Å |
| 1014 | D | 89.6 | Confident | 84.1 | Confident | 96 Ų | 96 | 76.4 Ų | 76.4 | 51% | 0.513 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -58.8 | -47.1 | 179.8 | -57 | -26 | 0 | 0 | 0 | 111.7 | A1010 R1011 E1017 L1018 | A1010-D1014 PolarHBondContact O-N 3.38Å; A1010-D1014 VanDerWaalsContact O-N 3.07Å; R1011-D1014 PolarHBondContact O-N 2.88Å; D1014-E1017 PolarHBondContact O-N 3Å; D1014-L1018 VanDerWaalsContact O-CB 3.26Å; D1014-L1018 WeakPolarHBondContact O-CB 3.35Å; D1014-L1018 PolarHBondContact O-N 3.39Å |
| 1015 | I | 88.6 | Confident | 84.2 | Confident | 2 Ų | 2 | 74.7 Ų | 74.7 | 1% | 0.01 | 38% | 0.379 | C | S | . | . | H | α-helix | trans | -68.8 | -35.5 | -179.7 | -62 | 165.7 | 0 | 0 | 0 | 111.5 | R1011 R1013 H1019 I1029 E1032 I1033 | R1011-I1015 HydrophobicContact CG-CD1 3.91Å; R1011-I1015 VanDerWaalsContact O-CG1 3.27Å; R1011-I1015 WeakPolarHBondContact O-CG1 3.48Å; R1011-I1015 PolarHBondContact O-N 2.74Å; R1013-I1015 PolarHBondContact O-N 3.19Å; I1015-H1019 PolarHBondContact O-CD2 2.91Å; I1015-H1019 PolarHBondContact O-N 3.09Å; I1015-I1029 HydrophobicContact CG2-CB 4.21Å; I1015-I1029 HydrophobicContact CG2-CG1 4Å; I1015-I1029 HydrophobicContact CG2-CG2 4.21Å; I1015-E1032 HydrophobicContact CD1-CB 4.04Å; I1015-E1032 HydrophobicContact CG1-CB 4.33Å; I1015-E1032 HydrophobicContact CG2-CB 3.76Å; I1015-E1032 HydrophobicContact CG2-CG 4.07Å; I1015-I1033 HydrophobicContact CD1-CG1 4.3Å |
| 1016 | V | 88 | Confident | 84.4 | Confident | 1 Ų | 1 | 72.6 Ų | 72.6 | 1% | 0.006 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -67.3 | -42 | 174.8 | 170.1 | 0 | 0 | 0 | 0 | 111.2 | L1012 R1013 H1019 K1020 I1029 I1073 L1078 V1079 | L1012-V1016 HydrophobicContact CD1-CG2 4.21Å; L1012-V1016 HydrophobicContact CG-CG2 4.33Å; L1012-V1016 WeakPolarHBondContact O-CB 3.26Å; L1012-V1016 WeakPolarHBondContact O-CG2 3.5Å; L1012-V1016 PolarHBondContact O-N 2.76Å; R1013-V1016 PolarHBondContact O-N 3.04Å; V1016-H1019 CarbonylContact O-C 3.59Å; V1016-H1019 PolarHBondContact O-N 3.32Å; V1016-K1020 PolarHBondContact O-N 3.33Å; V1016-K1020 VanDerWaalsContact O-N 3.08Å; V1016-I1029 HydrophobicContact CG2-CD1 3.71Å; V1016-I1029 HydrophobicContact CG2-CG1 4.4Å; V1016-I1073 HydrophobicContact CG1-CG2 4.43Å; V1016-I1073 HydrophobicContact CG2-CD1 4Å; V1016-I1073 HydrophobicContact CG2-CG1 3.93Å; V1016-I1073 HydrophobicContact CG2-CG2 4.2Å; V1016-L1078 HydrophobicContact CB-CD1 4.33Å; V1016-L1078 HydrophobicContact CG1-CB 3.97Å; V1016-L1078 HydrophobicContact CG1-CD1 4.36Å; V1016-L1078 HydrophobicContact CG2-CD1 4.23Å; V1016-V1079 HydrophobicContact CG1-CG2 4.41Å |
| 1017 | E | 87.7 | Confident | 84.5 | Confident | 111 Ų | 111 | 66.2 Ų | 66.2 | 52% | 0.519 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -68.6 | -39.5 | 177.5 | -157 | 66.9 | -154.8 | 0 | 0 | 111.4 | R1013 D1014 H1019 K1020 | R1013-E1017 WeakPolarHBondContact O-CB 3.25Å; R1013-E1017 PolarHBondContact O-N 3.28Å; D1014-E1017 PolarHBondContact O-N 3Å; E1017-H1019 VanDerWaalsContact C-N 3.27Å; E1017-H1019 PolarHBondContact O-N 3.16Å; E1017-K1020 VanDerWaalsContact CD-CD 3.44Å; E1017-K1020 VanDerWaalsContact O-CB 3.3Å; E1017-K1020 WeakPolarHBondContact O-CB 3.33Å; E1017-K1020 PolarHBondContact O-N 3.05Å; E1017-K1020 WeakPolarHBondContact OE1-CD 3.21Å; E1017-K1020 IonicContact OE1-NZ 2.75Å; E1017-K1020 PolarHBondContact OE1-NZ 3.3Å; E1017-K1020 WeakPolarHBondContact OE2-CD 3.3Å; E1017-K1020 IonicContact OE2-NZ 2.72Å; E1017-K1020 PolarHBondContact OE2-NZ 3.01Å |
| 1018 | L | 87.9 | Confident | 84.8 | Confident | 124 Ų | 124 | 61.8 Ų | 61.8 | 65% | 0.649 | 32% | 0.318 | S | S | * | . | H | α-helix | trans | -60.5 | -32.1 | 175.5 | -173 | 70 | 0 | 0 | 0 | 113.3 | D1014 | D1014-L1018 VanDerWaalsContact O-CB 3.26Å; D1014-L1018 WeakPolarHBondContact O-CB 3.35Å; D1014-L1018 PolarHBondContact O-N 3.39Å |
| 1019 | H | 84.7 | Confident | 85 | Confident | 35 Ų | 35 | 60.9 Ų | 60.9 | 16% | 0.162 | 31% | 0.314 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -108 | 14.2 | -179.3 | -62.3 | -39.6 | 0 | 0 | 0 | 114.1 | I1015 V1016 E1017 G1021 S1022 M1025 E1032 | I1015-H1019 PolarHBondContact O-CD2 2.91Å; I1015-H1019 PolarHBondContact O-N 3.09Å; V1016-H1019 CarbonylContact O-C 3.59Å; V1016-H1019 PolarHBondContact O-N 3.32Å; E1017-H1019 VanDerWaalsContact C-N 3.27Å; E1017-H1019 PolarHBondContact O-N 3.16Å; H1019-G1021 PolarHBondContact O-N 2.97Å; H1019-S1022 WeakPolarHBondContact O-CB 3.34Å; H1019-S1022 PolarHBondContact O-N 3.42Å; H1019-M1025 HydrophobicContact CB-CG 4.38Å; H1019-E1032 WeakPolarHBondContact NE2-CG 3.22Å |
| 1020 | K | 81.3 | Confident | 85.1 | Confident | 121 Ų | 121 | 61.3 Ų | 61.3 | 53% | 0.526 | 32% | 0.316 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61 | 124 | -179.5 | -153.3 | 163.1 | -175.6 | 172.3 | 0 | 110.3 | V1016 E1017 | V1016-K1020 PolarHBondContact O-N 3.33Å; V1016-K1020 VanDerWaalsContact O-N 3.08Å; E1017-K1020 VanDerWaalsContact CD-CD 3.44Å; E1017-K1020 VanDerWaalsContact O-CB 3.3Å; E1017-K1020 WeakPolarHBondContact O-CB 3.33Å; E1017-K1020 PolarHBondContact O-N 3.05Å; E1017-K1020 WeakPolarHBondContact OE1-CD 3.21Å; E1017-K1020 IonicContact OE1-NZ 2.75Å; E1017-K1020 PolarHBondContact OE1-NZ 3.3Å; E1017-K1020 WeakPolarHBondContact OE2-CD 3.3Å; E1017-K1020 IonicContact OE2-NZ 2.72Å; E1017-K1020 PolarHBondContact OE2-NZ 3.01Å |
| 1021 | G | 76 | Confident | 85.1 | Confident | 71 Ų | 71 | 63 Ų | 63 | 73% | 0.732 | 32% | 0.318 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 85.7 | -2.3 | -172.9 | 0 | 0 | 0 | 0 | 0 | 116.3 | H1019 K1023 | H1019-G1021 PolarHBondContact O-N 2.97Å; G1021-K1023 PolarHBondContact O-N 3.44Å |
| 1022 | S | 79.8 | Confident | 85.2 | Confident | 41 Ų | 41 | 61.1 Ų | 61.1 | 29% | 0.287 | 31% | 0.314 | S | S | . | . | trans | -64.8 | 130.4 | 173.5 | 175.4 | 0 | 0 | 0 | 0 | 111.9 | H1019 N1024 M1025 | H1019-S1022 WeakPolarHBondContact O-CB 3.34Å; H1019-S1022 PolarHBondContact O-N 3.42Å; S1022-N1024 PolarHBondContact O-N 2.74Å; S1022-N1024 PolarHBondContact OG-N 3.49Å; S1022-M1025 WeakPolarHBondContact O-CB 3.5Å; S1022-M1025 PolarHBondContact O-N 2.73Å | ||
| 1023 | K | 75.3 | Confident | 85.1 | Confident | 200 Ų | 200 | 62.4 Ų | 62.4 | 87% | 0.87 | 32% | 0.321 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.8 | -19.1 | 176.2 | -67.9 | 179.5 | -179.5 | 173.1 | 0 | 113.8 | G1021 | G1021-K1023 PolarHBondContact O-N 3.44Š|
| 1024 | N | 79.9 | Confident | 84.9 | Confident | 71 Ų | 71 | 62.1 Ų | 62.1 | 38% | 0.38 | 32% | 0.323 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -122.6 | 24.6 | 178.5 | -74.3 | -30.1 | 0 | 0 | 0 | 111.8 | S1022 L1026 T1027 E1028 | S1022-N1024 PolarHBondContact O-N 2.74Å; S1022-N1024 PolarHBondContact OG-N 3.49Å; N1024-L1026 PolarHBondContact O-N 2.68Å; N1024-T1027 WeakPolarHBondContact O-CA 3.48Å; N1024-T1027 VanDerWaalsContact O-CB 3.26Å; N1024-T1027 WeakPolarHBondContact O-CB 3.38Å; N1024-T1027 PolarHBondContact O-N 2.82Å; N1024-T1027 PolarHBondContact O-OG1 3.05Å; N1024-E1028 WeakPolarHBondContact CB-OE1 3.49Å; N1024-E1028 PolarHBondContact O-N 2.72Å |
| 1025 | M | 82.5 | Confident | 84.7 | Confident | 8 Ų | 8 | 61.5 Ų | 61.5 | 4% | 0.039 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -34.7 | -57.4 | -172 | -173.3 | -168.2 | -61.5 | 0 | 0 | 115.2 | H1019 S1022 T1027 E1028 I1029 V1079 L1085 | H1019-M1025 HydrophobicContact CB-CG 4.38Å; S1022-M1025 WeakPolarHBondContact O-CB 3.5Å; S1022-M1025 PolarHBondContact O-N 2.73Å; M1025-T1027 PolarHBondContact O-N 3.07Å; M1025-E1028 PolarHBondContact O-N 3.45Å; M1025-E1028 VanDerWaalsContact O-N 3.12Å; M1025-I1029 HydrophobicContact CG-CD1 3.64Å; M1025-I1029 HydrophobicContact CG-CG1 4.43Å; M1025-I1029 VanDerWaalsContact O-CG1 3.3Å; M1025-I1029 WeakPolarHBondContact O-CG1 3.36Å; M1025-I1029 PolarHBondContact O-N 3.17Å; M1025-I1029 HydrophobicContact SD-CD1 4.32Å; M1025-V1079 HydrophobicContact SD-CG2 4.2Å; M1025-L1085 HydrophobicContact CG-CD2 4.47Å; M1025-L1085 HydrophobicContact SD-CD2 3.79Å |
| 1026 | L | 84.6 | Confident | 84.5 | Confident | 4 Ų | 4 | 63.2 Ų | 63.2 | 2% | 0.021 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -67.7 | -15 | -179.2 | -177.1 | 64.7 | 0 | 0 | 0 | 114.5 | N1024 M1030 R1066 V1069 A1070 I1073 L1085 | N1024-L1026 PolarHBondContact O-N 2.68Å; L1026-M1030 WeakPolarHBondContact O-CB 3.24Å; L1026-M1030 WeakPolarHBondContact O-CG 3.35Å; L1026-R1066 HydrophobicContact CD1-CG 4.31Å; L1026-R1066 HydrophobicContact CD2-CG 3.81Å; L1026-R1066 HydrophobicContact CG-CG 3.85Å; L1026-V1069 HydrophobicContact CD1-CG1 4.4Å; L1026-A1070 HydrophobicContact CD1-CB 3.94Å; L1026-A1070 HydrophobicContact CD2-CB 3.75Å; L1026-I1073 HydrophobicContact CD1-CD1 4.18Å; L1026-L1085 HydrophobicContact CB-CB 4.18Å; L1026-L1085 HydrophobicContact CB-CD2 4.18Å; L1026-L1085 WeakPolarHBondContact CB-O 3.09Å; L1026-L1085 HydrophobicContact CD2-CB 4.15Å; L1026-L1085 WeakPolarHBondContact CD2-O 2.98Å |
| 1027 | T | 86 | Confident | 84.4 | Confident | 43 Ų | 43 | 65.1 Ų | 65.1 | 26% | 0.264 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -80.1 | -45.6 | 169 | -47.6 | 0 | 0 | 0 | 0 | 110.3 | N1024 M1025 M1030 N1031 R1066 | N1024-T1027 WeakPolarHBondContact O-CA 3.48Å; N1024-T1027 VanDerWaalsContact O-CB 3.26Å; N1024-T1027 WeakPolarHBondContact O-CB 3.38Å; N1024-T1027 PolarHBondContact O-N 2.82Å; N1024-T1027 PolarHBondContact O-OG1 3.05Å; M1025-T1027 PolarHBondContact O-N 3.07Å; T1027-M1030 WeakPolarHBondContact O-CB 3.44Å; T1027-M1030 PolarHBondContact O-N 2.96Å; T1027-M1030 VanDerWaalsContact O-N 3.14Å; T1027-N1031 VanDerWaalsContact O-CG 3.3Å; T1027-N1031 PolarHBondContact O-N 3.19Å; T1027-N1031 PolarHBondContact O-ND2 3.14Å; T1027-R1066 PolarHBondContact OG1-NH1 3Å; T1027-R1066 PolarHBondContact OG1-NH2 3.47Å |
| 1028 | E | 86.7 | Confident | 84.2 | Confident | 57 Ų | 57 | 62.7 Ų | 62.7 | 27% | 0.266 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -67.7 | -42 | -179.1 | -43.9 | -46.6 | 160.5 | 0 | 0 | 111.4 | N1024 M1025 M1030 N1031 E1032 | N1024-E1028 WeakPolarHBondContact CB-OE1 3.49Å; N1024-E1028 PolarHBondContact O-N 2.72Å; M1025-E1028 PolarHBondContact O-N 3.45Å; M1025-E1028 VanDerWaalsContact O-N 3.12Å; E1028-M1030 PolarHBondContact O-N 3.34Å; E1028-N1031 WeakPolarHBondContact O-CA 3.39Å; E1028-N1031 WeakPolarHBondContact O-CB 3.35Å; E1028-N1031 PolarHBondContact O-N 3.29Å; E1028-N1031 PolarHBondContact OE2-ND2 3.35Å; E1028-E1032 PolarHBondContact O-N 3.48Å |
| 1029 | I | 87.8 | Confident | 84 | Confident | 0 Ų | 0 | 60.1 Ų | 60.1 | 0% | 0 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -54.4 | -40.2 | 171 | -65.1 | 162.6 | 0 | 0 | 0 | 111.4 | L1012 I1015 V1016 M1025 N1031 I1033 V1069 I1073 | L1012-I1029 HydrophobicContact CD1-CG2 3.95Å; I1015-I1029 HydrophobicContact CG2-CB 4.21Å; I1015-I1029 HydrophobicContact CG2-CG1 4Å; I1015-I1029 HydrophobicContact CG2-CG2 4.21Å; V1016-I1029 HydrophobicContact CG2-CD1 3.71Å; V1016-I1029 HydrophobicContact CG2-CG1 4.4Å; M1025-I1029 HydrophobicContact CG-CD1 3.64Å; M1025-I1029 HydrophobicContact CG-CG1 4.43Å; M1025-I1029 VanDerWaalsContact O-CG1 3.3Å; M1025-I1029 WeakPolarHBondContact O-CG1 3.36Å; M1025-I1029 PolarHBondContact O-N 3.17Å; M1025-I1029 HydrophobicContact SD-CD1 4.32Å; I1029-N1031 VanDerWaalsContact C-N 3.32Å; I1029-I1033 HydrophobicContact CG2-CD1 3.65Å; I1029-I1033 HydrophobicContact CG2-CG1 4.4Å; I1029-I1033 WeakPolarHBondContact O-CB 3.47Å; I1029-I1033 WeakPolarHBondContact O-CD1 3.47Å; I1029-I1033 WeakPolarHBondContact O-CG1 3.48Å; I1029-I1033 PolarHBondContact O-N 3.46Å; I1029-V1069 HydrophobicContact CG2-CG1 4.03Å; I1029-I1073 HydrophobicContact CD1-CD1 3.84Å; I1029-I1073 HydrophobicContact CG2-CD1 4.46Å |
| 1030 | M | 88 | Confident | 83.9 | Confident | 34 Ų | 34 | 59.3 Ų | 59.3 | 17% | 0.167 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -72.9 | -23.1 | 177.5 | -76.1 | -65.4 | -38.8 | 0 | 0 | 113.3 | L1026 T1027 E1028 K1034 R1066 V1069 | L1026-M1030 WeakPolarHBondContact O-CB 3.24Å; L1026-M1030 WeakPolarHBondContact O-CG 3.35Å; T1027-M1030 WeakPolarHBondContact O-CB 3.44Å; T1027-M1030 PolarHBondContact O-N 2.96Å; T1027-M1030 VanDerWaalsContact O-N 3.14Å; E1028-M1030 PolarHBondContact O-N 3.34Å; M1030-K1034 PolarHBondContact O-N 2.86Å; M1030-R1066 HydrophobicContact CG-CB 4.28Å; M1030-R1066 HydrophobicContact CG-CG 4.08Å; M1030-R1066 HydrophobicContact SD-CB 4.17Å; M1030-V1069 HydrophobicContact SD-CB 4.04Å; M1030-V1069 HydrophobicContact SD-CG1 4.39Å; M1030-V1069 HydrophobicContact SD-CG2 3.7Å |
| 1031 | N | 88 | Confident | 83.9 | Confident | 80 Ų | 80 | 55.8 Ų | 55.8 | 43% | 0.428 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -75.9 | -50.9 | 173.3 | -65.2 | -28.2 | 0 | 0 | 0 | 110 | T1027 E1028 I1029 I1033 K1034 V1035 | T1027-N1031 VanDerWaalsContact O-CG 3.3Å; T1027-N1031 PolarHBondContact O-N 3.19Å; T1027-N1031 PolarHBondContact O-ND2 3.14Å; E1028-N1031 WeakPolarHBondContact O-CA 3.39Å; E1028-N1031 WeakPolarHBondContact O-CB 3.35Å; E1028-N1031 PolarHBondContact O-N 3.29Å; E1028-N1031 PolarHBondContact OE2-ND2 3.35Å; I1029-N1031 VanDerWaalsContact C-N 3.32Å; N1031-I1033 PolarHBondContact O-N 2.95Å; N1031-K1034 WeakPolarHBondContact O-CA 3.47Å; N1031-K1034 WeakPolarHBondContact O-CB 3.4Å; N1031-K1034 PolarHBondContact O-N 3.19Å; N1031-V1035 PolarHBondContact O-N 2.86Å |
| 1032 | E | 88.2 | Confident | 84.1 | Confident | 66 Ų | 66 | 57.6 Ų | 57.6 | 31% | 0.308 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -59.4 | -46.3 | 177.7 | -70.5 | -61.1 | 149.3 | 0 | 0 | 112.4 | I1015 H1019 E1028 K1034 V1035 D1036 | I1015-E1032 HydrophobicContact CD1-CB 4.04Å; I1015-E1032 HydrophobicContact CG1-CB 4.33Å; I1015-E1032 HydrophobicContact CG2-CB 3.76Å; I1015-E1032 HydrophobicContact CG2-CG 4.07Å; H1019-E1032 WeakPolarHBondContact NE2-CG 3.22Å; E1028-E1032 PolarHBondContact O-N 3.48Å; E1032-K1034 PolarHBondContact O-N 3.4Å; E1032-V1035 PolarHBondContact O-N 2.98Å; E1032-D1036 PolarHBondContact O-N 2.95Å |
| 1033 | I | 86.7 | Confident | 84.1 | Confident | 30 Ų | 30 | 62.7 Ų | 62.7 | 15% | 0.154 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -58.4 | -32.1 | 175.2 | -71.1 | 169 | 0 | 0 | 0 | 111.8 | L1012 I1015 I1029 N1031 H1037 V1069 | L1012-I1033 HydrophobicContact CD1-CD1 4.04Å; I1015-I1033 HydrophobicContact CD1-CG1 4.3Å; I1029-I1033 HydrophobicContact CG2-CD1 3.65Å; I1029-I1033 HydrophobicContact CG2-CG1 4.4Å; I1029-I1033 WeakPolarHBondContact O-CB 3.47Å; I1029-I1033 WeakPolarHBondContact O-CD1 3.47Å; I1029-I1033 WeakPolarHBondContact O-CG1 3.48Å; I1029-I1033 PolarHBondContact O-N 3.46Å; N1031-I1033 PolarHBondContact O-N 2.95Å; I1033-H1037 PolarHBondContact O-N 3.34Å; I1033-V1069 HydrophobicContact CD1-CG1 3.9Å; I1033-V1069 HydrophobicContact CD1-CG2 4.34Å |
| 1034 | K | 85.5 | Confident | 84.1 | Confident | 110 Ų | 110 | 53.9 Ų | 53.9 | 48% | 0.478 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -74.4 | -40.9 | 175.9 | -166.7 | -163.4 | 170.7 | -131.5 | 0 | 111.4 | M1030 N1031 E1032 H1037 D1038 I1063 | M1030-K1034 PolarHBondContact O-N 2.86Å; N1031-K1034 WeakPolarHBondContact O-CA 3.47Å; N1031-K1034 WeakPolarHBondContact O-CB 3.4Å; N1031-K1034 PolarHBondContact O-N 3.19Å; E1032-K1034 PolarHBondContact O-N 3.4Å; K1034-H1037 PolarHBondContact O-N 3.42Å; K1034-D1038 VanDerWaalsContact CE-OD2 3.25Å; K1034-D1038 WeakPolarHBondContact CE-OD2 3.42Å; K1034-D1038 IonicContact NZ-OD2 3.34Å; K1034-D1038 PolarHBondContact NZ-OD2 2.88Å; K1034-D1038 WeakPolarHBondContact O-CB 3.36Å; K1034-D1038 VanDerWaalsContact O-CG 3.27Å; K1034-D1038 PolarHBondContact O-N 3.35Å; K1034-I1063 HydrophobicContact CG-CD1 4.1Å |
| 1035 | V | 86.1 | Confident | 83.7 | Confident | 82 Ų | 82 | 55.2 Ų | 55.2 | 50% | 0.497 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -62.1 | -46.1 | 174.8 | 174.7 | 0 | 0 | 0 | 0 | 110.7 | N1031 E1032 H1037 D1038 L1039 | N1031-V1035 PolarHBondContact O-N 2.86Å; E1032-V1035 PolarHBondContact O-N 2.98Å; V1035-H1037 VanDerWaalsContact C-N 3.33Å; V1035-H1037 PolarHBondContact O-N 3.26Å; V1035-D1038 PolarHBondContact O-N 2.93Å; V1035-L1039 VanDerWaalsContact O-CB 3.25Å; V1035-L1039 WeakPolarHBondContact O-CB 3.26Å; V1035-L1039 PolarHBondContact O-N 2.83Å |
| 1036 | D | 84.8 | Confident | 83.2 | Confident | 38 Ų | 38 | 60.6 Ų | 60.6 | 20% | 0.203 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -57.5 | -42.5 | 175 | -84.4 | -11.3 | 0 | 0 | 0 | 112.1 | R1011 E1032 A1040 | R1011-D1036 WeakPolarHBondContact CG-OD2 3.39Å; R1011-D1036 IonicContact CZ-OD1 2.95Å; R1011-D1036 IonicContact CZ-OD2 2.64Å; R1011-D1036 IonicContact NE-OD1 3.12Å; R1011-D1036 IonicContact NE-OD2 2.96Å; R1011-D1036 PolarHBondContact NE-OD2 2.73Å; R1011-D1036 IonicContact NH2-OD1 3.37Å; R1011-D1036 PolarHBondContact NH2-OD1 3.2Å; R1011-D1036 IonicContact NH2-OD2 3.39Å; R1011-D1036 PolarHBondContact NH2-OD2 3.47Å; E1032-D1036 PolarHBondContact O-N 2.95Å; D1036-A1040 VanDerWaalsContact O-CB 3.28Å; D1036-A1040 WeakPolarHBondContact O-CB 3.3Å; D1036-A1040 PolarHBondContact O-N 3.06Å |
| 1037 | H | 85.1 | Confident | 82.3 | Confident | 42 Ų | 42 | 66.4 Ų | 66.4 | 19% | 0.194 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -63.7 | -51.4 | 173.9 | 166.3 | -83.4 | 0 | 0 | 0 | 112.1 | I1033 K1034 V1035 L1039 A1040 V1041 P1061 I1063 | I1033-H1037 PolarHBondContact O-N 3.34Å; K1034-H1037 PolarHBondContact O-N 3.42Å; V1035-H1037 VanDerWaalsContact C-N 3.33Å; V1035-H1037 PolarHBondContact O-N 3.26Å; H1037-L1039 VanDerWaalsContact C-N 3.31Å; H1037-L1039 PolarHBondContact O-N 3.36Å; H1037-A1040 PolarHBondContact O-N 2.84Å; H1037-V1041 WeakPolarHBondContact O-CG2 3.27Å; H1037-V1041 PolarHBondContact O-N 3.12Å; H1037-P1061 PolarHBondContact CD2-O 3.46Å; H1037-I1063 HydrophobicContact CB-CD1 4.27Å; H1037-I1063 HydrophobicContact CB-CG1 3.9Å |
| 1038 | D | 83.9 | Confident | 81 | Confident | 60 Ų | 60 | 70.9 Ų | 70.9 | 32% | 0.321 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -66.7 | -35.2 | -174 | -68 | -12.4 | 0 | 0 | 0 | 110.7 | K1034 V1035 V1041 Q1042 | K1034-D1038 VanDerWaalsContact CE-OD2 3.25Å; K1034-D1038 WeakPolarHBondContact CE-OD2 3.42Å; K1034-D1038 IonicContact NZ-OD2 3.34Å; K1034-D1038 PolarHBondContact NZ-OD2 2.88Å; K1034-D1038 WeakPolarHBondContact O-CB 3.36Å; K1034-D1038 VanDerWaalsContact O-CG 3.27Å; K1034-D1038 PolarHBondContact O-N 3.35Å; V1035-D1038 PolarHBondContact O-N 2.93Å; D1038-V1041 PolarHBondContact O-N 3.07Å; D1038-Q1042 WeakPolarHBondContact O-CG 3.3Å; D1038-Q1042 PolarHBondContact O-N 3.48Å |
| 1039 | L | 84 | Confident | 79.6 | Confident | 69 Ų | 69 | 75.4 Ų | 75.4 | 36% | 0.361 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -69.1 | -37.7 | 172.4 | -158.8 | 87.4 | 0 | 0 | 0 | 112.4 | V1035 H1037 V1041 Q1042 R1043 | V1035-L1039 VanDerWaalsContact O-CB 3.25Å; V1035-L1039 WeakPolarHBondContact O-CB 3.26Å; V1035-L1039 PolarHBondContact O-N 2.83Å; H1037-L1039 VanDerWaalsContact C-N 3.31Å; H1037-L1039 PolarHBondContact O-N 3.36Å; L1039-V1041 VanDerWaalsContact C-N 3.34Å; L1039-Q1042 PolarHBondContact O-N 3.09Å; L1039-R1043 WeakPolarHBondContact O-CG 3.47Å; L1039-R1043 PolarHBondContact O-N 3Å |
| 1040 | A | 82.5 | Confident | 78 | Confident | 18 Ų | 18 | 82.2 Ų | 82.2 | 15% | 0.149 | 41% | 0.408 | C | S | . | . | H | α-helix | trans | -66 | -36.5 | 173.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | D1036 H1037 C1044 | D1036-A1040 VanDerWaalsContact O-CB 3.28Å; D1036-A1040 WeakPolarHBondContact O-CB 3.3Å; D1036-A1040 PolarHBondContact O-N 3.06Å; H1037-A1040 PolarHBondContact O-N 2.84Å; A1040-C1044 WeakPolarHBondContact O-CB 3.45Å; A1040-C1044 PolarHBondContact O-N 3.4Å; A1040-C1044 PolarHBondContact O-SG 2.89Å |
| 1041 | V | 79.8 | Confident | 75.8 | Confident | 47 Ų | 47 | 89.4 Ų | 89.4 | 29% | 0.285 | 44% | 0.443 | S | S | . | . | H | α-helix | trans | -64.7 | -45.1 | 172.5 | 170.9 | 0 | 0 | 0 | 0 | 111.2 | H1037 D1038 L1039 C1044 L1045 I1060 | H1037-V1041 WeakPolarHBondContact O-CG2 3.27Å; H1037-V1041 PolarHBondContact O-N 3.12Å; D1038-V1041 PolarHBondContact O-N 3.07Å; L1039-V1041 VanDerWaalsContact C-N 3.34Å; V1041-C1044 PolarHBondContact O-N 3.23Å; V1041-L1045 HydrophobicContact CG1-CD1 4.01Å; V1041-L1045 WeakPolarHBondContact O-CG 3.45Å; V1041-L1045 PolarHBondContact O-N 3.49Å; V1041-L1045 VanDerWaalsContact O-N 3.12Å; V1041-I1060 HydrophobicContact CG2-CD1 4.25Å; V1041-I1060 HydrophobicContact CG2-CG2 3.89Å |
| 1042 | Q | 81.3 | Confident | 73.7 | Confident | 109 Ų | 109 | 93.4 Ų | 93.4 | 51% | 0.509 | 46% | 0.464 | S | S | . | . | H | α-helix | trans | -58.7 | -51.7 | 176.1 | -76.9 | 177.7 | -36.6 | 0 | 0 | 111.8 | D1038 L1039 C1044 L1045 E1046 | D1038-Q1042 WeakPolarHBondContact O-CG 3.3Å; D1038-Q1042 PolarHBondContact O-N 3.48Å; L1039-Q1042 PolarHBondContact O-N 3.09Å; Q1042-C1044 VanDerWaalsContact C-N 3.26Å; Q1042-C1044 PolarHBondContact O-N 3.42Å; Q1042-L1045 WeakPolarHBondContact O-CB 3.47Å; Q1042-L1045 PolarHBondContact O-N 2.92Å; Q1042-E1046 WeakPolarHBondContact O-CG 3.34Å; Q1042-E1046 PolarHBondContact O-N 3.23Å |
| 1043 | R | 78.7 | Confident | 71.6 | Confident | 148 Ų | 148 | 98.9 Ų | 98.9 | 56% | 0.558 | 49% | 0.49 | S | S | * | . | H | α-helix | trans | -56.5 | -39.6 | 176.1 | -71.9 | 173.5 | 177.6 | 171.5 | 0.4 | 112.6 | L1039 L1045 Q1047 | L1039-R1043 WeakPolarHBondContact O-CG 3.47Å; L1039-R1043 PolarHBondContact O-N 3Å; R1043-L1045 VanDerWaalsContact C-N 3.29Å; R1043-L1045 PolarHBondContact O-N 3.1Å; R1043-Q1047 WeakPolarHBondContact O-CB 3.47Å; R1043-Q1047 VanDerWaalsContact O-CG 3.24Å; R1043-Q1047 WeakPolarHBondContact O-CG 3.43Å; R1043-Q1047 PolarHBondContact O-N 3.49Å |
| 1044 | C | 75.9 | Confident | 69.4 | Low | 16 Ų | 16 | 104.7 Ų | 104.7 | 11% | 0.108 | 52% | 0.521 | C | S | . | . | H | α-helix | trans | -65.8 | -29.6 | 177.4 | -73.8 | 0 | 0 | 0 | 0 | 113.5 | A1040 V1041 Q1042 E1048 K1058 I1060 | A1040-C1044 WeakPolarHBondContact O-CB 3.45Å; A1040-C1044 PolarHBondContact O-N 3.4Å; A1040-C1044 PolarHBondContact O-SG 2.89Å; V1041-C1044 PolarHBondContact O-N 3.23Å; Q1042-C1044 VanDerWaalsContact C-N 3.26Å; Q1042-C1044 PolarHBondContact O-N 3.42Å; C1044-E1048 WeakPolarHBondContact O-CG 3.33Å; C1044-K1058 HydrophobicContact CB-CD 4.27Å; C1044-K1058 PolarHBondContact O-NZ 2.96Å; C1044-I1060 HydrophobicContact CB-CD1 4.28Å |
| 1045 | L | 71 | Confident | 67.3 | Low | 99 Ų | 99 | 107.6 Ų | 107.6 | 52% | 0.518 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -82.2 | -41.5 | 177.2 | -71.7 | 165.1 | 0 | 0 | 0 | 112.3 | V1041 Q1042 R1043 Q1047 E1048 | V1041-L1045 HydrophobicContact CG1-CD1 4.01Å; V1041-L1045 WeakPolarHBondContact O-CG 3.45Å; V1041-L1045 PolarHBondContact O-N 3.49Å; V1041-L1045 VanDerWaalsContact O-N 3.12Å; Q1042-L1045 WeakPolarHBondContact O-CB 3.47Å; Q1042-L1045 PolarHBondContact O-N 2.92Å; R1043-L1045 VanDerWaalsContact C-N 3.29Å; R1043-L1045 PolarHBondContact O-N 3.1Å; L1045-Q1047 VanDerWaalsContact C-N 3.25Å; L1045-Q1047 PolarHBondContact O-N 3.14Å; L1045-E1048 PolarHBondContact O-N 3.27Å |
| 1046 | E | 72.6 | Confident | 65.3 | Low | 120 Ų | 120 | 109.7 Ų | 109.7 | 56% | 0.561 | 56% | 0.555 | S | S | * | * | H | α-helix | trans | -58.6 | -40.8 | 173.4 | -69.7 | 167 | 171.9 | 0 | 0 | 110.7 | Q1042 E1048 L1049 | Q1042-E1046 WeakPolarHBondContact O-CG 3.34Å; Q1042-E1046 PolarHBondContact O-N 3.23Å; E1046-E1048 PolarHBondContact O-N 2.87Å; E1046-L1049 PolarHBondContact O-N 2.73Å |
| 1047 | Q | 64.9 | Low | 63.6 | Low | 127 Ų | 127 | 111.4 Ų | 111.4 | 59% | 0.593 | 58% | 0.582 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -73.1 | 5.7 | 172.3 | -68 | 176.3 | -9.7 | 0 | 0 | 114.8 | R1043 L1045 | R1043-Q1047 WeakPolarHBondContact O-CB 3.47Å; R1043-Q1047 VanDerWaalsContact O-CG 3.24Å; R1043-Q1047 WeakPolarHBondContact O-CG 3.43Å; R1043-Q1047 PolarHBondContact O-N 3.49Å; L1045-Q1047 VanDerWaalsContact C-N 3.25Å; L1045-Q1047 PolarHBondContact O-N 3.14Å |
| 1048 | E | 60.1 | Low | 62.4 | Low | 136 Ų | 136 | 114.3 Ų | 114.3 | 64% | 0.636 | 59% | 0.594 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -105.9 | -3.5 | 168.3 | -70.5 | 177.7 | -173.7 | 0 | 0 | 112.6 | C1044 L1045 E1046 K1058 | C1044-E1048 WeakPolarHBondContact O-CG 3.33Å; L1045-E1048 PolarHBondContact O-N 3.27Å; E1046-E1048 PolarHBondContact O-N 2.87Å; E1048-K1058 IonicContact OE1-NZ 3.89Å; E1048-K1058 PolarHBondContact OE1-NZ 3.05Å |
| 1049 | L | 56.9 | Low | 61.9 | Low | 153 Ų | 153 | 116.5 Ų | 116.5 | 80% | 0.801 | 60% | 0.598 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -98.2 | -13.8 | 175.9 | -81.9 | 154.4 | 0 | 0 | 0 | 113.7 | E1046 | E1046-L1049 PolarHBondContact O-N 2.73Š|
| 1050 | I | 54.2 | Low | 61.5 | Low | 142 Ų | 142 | 116.4 Ų | 116.4 | 73% | 0.728 | 60% | 0.597 | S | S | * | * | S | Bend | trans | -105.7 | 115.5 | 175.2 | -56.7 | 178.6 | 0 | 0 | 0 | 108.3 | D1052 | I1050-D1052 PolarHBondContact O-N 3.31Š|
| 1051 | M | 42.3 | Very low | 61.1 | Low | 185 Ų | 185 | 117.2 Ų | 117.2 | 91% | 0.911 | 60% | 0.601 | S | S | * | * | trans | -79.2 | 107.4 | -178.7 | -72.2 | 177.5 | 56.3 | 0 | 0 | 111.6 | ||||
| 1052 | D | 44.1 | Very low | 60.9 | Low | 164 Ų | 164 | 116 Ų | 116 | 88% | 0.877 | 59% | 0.594 | S | S | * | * | trans | -151.9 | 129.8 | 143.5 | -126.3 | -27.1 | 0 | 0 | 0 | 110.9 | I1050 N1054 | I1050-D1052 PolarHBondContact O-N 3.31Å; D1052-N1054 PolarHBondContact O-N 3.11Å | ||
| 1053 | E | 43.3 | Very low | 60.8 | Low | 182 Ų | 182 | 114.4 Ų | 114.4 | 85% | 0.85 | 59% | 0.589 | S | S | * | * | trans | -90.3 | 86.7 | -177.3 | -71.6 | -166.5 | 144.5 | 0 | 0 | 110.9 | ||||
| 1054 | N | 40.4 | Very low | 61 | Low | 151 Ų | 151 | 107.8 Ų | 107.8 | 81% | 0.807 | 56% | 0.564 | S | S | * | * | trans | -174.2 | 151.5 | 143.9 | -107.4 | -61.2 | 0 | 0 | 0 | 117.4 | D1052 | D1052-N1054 PolarHBondContact O-N 3.11Š| ||
| 1055 | Q | 40.8 | Very low | 61.1 | Low | 172 Ų | 172 | 108.5 Ų | 108.5 | 80% | 0.804 | 57% | 0.571 | S | S | * | * | trans | 76.7 | 136.8 | 161.4 | -65.7 | -177.6 | 35.3 | 0 | 0 | 122.4 | ||||
| 1056 | S | 44 | Very low | 61.6 | Low | 125 Ų | 125 | 108.8 Ų | 108.8 | 87% | 0.874 | 57% | 0.565 | S | S | * | * | trans | 71.1 | 148.2 | 170.9 | 78.7 | 0 | 0 | 0 | 0 | 117.8 | ||||
| 1057 | G | 50.2 | Low | 62.1 | Low | 75 Ų | 75 | 111.4 Ų | 111.4 | 77% | 0.773 | 57% | 0.57 | S | S | * | * | trans | -95.7 | 125.4 | -163.8 | 0 | 0 | 0 | 0 | 0 | 114.3 | Y1059 | G1057-Y1059 PolarHBondContact O-N 2.86Š| ||
| 1058 | K | 60 | Low | 62.9 | Low | 103 Ų | 103 | 106.7 Ų | 106.7 | 45% | 0.448 | 55% | 0.55 | S | S | . | . | trans | -64.6 | 110.7 | 172.8 | -60.7 | -172.2 | -179.6 | -171.1 | 0 | 111.1 | C1044 E1048 | C1044-K1058 HydrophobicContact CB-CD 4.27Å; C1044-K1058 PolarHBondContact O-NZ 2.96Å; E1048-K1058 IonicContact OE1-NZ 3.89Å; E1048-K1058 PolarHBondContact OE1-NZ 3.05Å | ||
| 1059 | Y | 73.6 | Confident | 64.2 | Low | 105 Ų | 105 | 100.2 Ų | 100.2 | 41% | 0.412 | 52% | 0.52 | S | S | . | . | trans | -103.6 | 130.3 | 171.1 | -175.3 | -100 | 0 | 0 | 0 | 110.5 | T1005 E1008 G1057 P1061 | T1005-Y1059 HydrophobicContact CG2-CE2 4.25Å; E1008-Y1059 VanDerWaalsContact CD-OH 3.24Å; E1008-Y1059 PolarHBondContact OE2-OH 3.19Å; G1057-Y1059 PolarHBondContact O-N 2.86Å; Y1059-P1061 HydrophobicContact CE1-CB 3.96Å | ||
| 1060 | I | 74.7 | Confident | 65.6 | Low | 67 Ų | 67 | 93 Ų | 93 | 34% | 0.344 | 48% | 0.482 | S | S | . | . | trans | -122.3 | 114.6 | 173.8 | -62.6 | 165.7 | 0 | 0 | 0 | 106.6 | V1041 C1044 | V1041-I1060 HydrophobicContact CG2-CD1 4.25Å; V1041-I1060 HydrophobicContact CG2-CG2 3.89Å; C1044-I1060 HydrophobicContact CB-CD1 4.28Å | ||
| 1061 | P | 74.3 | Confident | 67 | Low | 35 Ų | 35 | 88.9 Ų | 88.9 | 23% | 0.227 | 47% | 0.469 | C | S | . | . | trans | -66.4 | 121.7 | -175.7 | 25.8 | -33.2 | 0 | 0 | 0 | 110.2 | E1008 H1037 Y1059 I1063 | E1008-P1061 HydrophobicContact CG-CB 4.25Å; H1037-P1061 PolarHBondContact CD2-O 3.46Å; Y1059-P1061 HydrophobicContact CE1-CB 3.96Å; P1061-I1063 PolarHBondContact O-N 3.49Å | ||
| 1062 | P | 75.3 | Confident | 69.1 | Low | 22 Ų | 22 | 81.2 Ų | 81.2 | 14% | 0.143 | 43% | 0.431 | C | S | . | . | trans | -68.5 | 132.8 | -173.3 | 26.8 | -35 | 0 | 0 | 0 | 112.5 | R1064 | P1062-R1064 PolarHBondContact O-N 2.76Š| ||
| 1063 | I | 79.2 | Confident | 71.1 | Confident | 76 Ų | 76 | 73.4 Ų | 73.4 | 39% | 0.39 | 39% | 0.389 | S | S | . | . | trans | -61.7 | 112.1 | 169.7 | -60.2 | 173.6 | 0 | 0 | 0 | 109.4 | K1034 H1037 P1061 | K1034-I1063 HydrophobicContact CG-CD1 4.1Å; H1037-I1063 HydrophobicContact CB-CD1 4.27Å; H1037-I1063 HydrophobicContact CB-CG1 3.9Å; P1061-I1063 PolarHBondContact O-N 3.49Å | ||
| 1064 | R | 83.2 | Confident | 73.1 | Confident | 8 Ų | 8 | 67.5 Ų | 67.5 | 3% | 0.03 | 36% | 0.363 | C | S | . | . | trans | -91.2 | 152.7 | 177.4 | -66.1 | 162.8 | -169 | -90.7 | 1.7 | 110.1 | S1002 E1003 E1008 P1062 V1068 V1069 | S1002-R1064 PolarHBondContact O-NH1 3.32Å; E1003-R1064 PolarHBondContact O-NH2 2.92Å; E1008-R1064 VanDerWaalsContact CD-NH2 3.25Å; E1008-R1064 IonicContact OE1-CZ 2.73Å; E1008-R1064 IonicContact OE1-NE 3.75Å; E1008-R1064 PolarHBondContact OE1-NE 3.49Å; E1008-R1064 VanDerWaalsContact OE1-NE 3.12Å; E1008-R1064 IonicContact OE1-NH2 3.73Å; E1008-R1064 PolarHBondContact OE1-NH2 3.46Å; E1008-R1064 IonicContact OE2-CZ 3.96Å; E1008-R1064 IonicContact OE2-NH2 3.87Å; E1008-R1064 PolarHBondContact OE2-NH2 3.04Å; P1062-R1064 PolarHBondContact O-N 2.76Å; R1064-V1068 HydrophobicContact CB-CB 4.43Å; R1064-V1068 HydrophobicContact CB-CG1 4.44Å; R1064-V1069 HydrophobicContact CB-CG2 3.87Å | ||
| 1065 | A | 78 | Confident | 75.3 | Confident | 32 Ų | 32 | 66.8 Ų | 66.8 | 26% | 0.264 | 36% | 0.355 | S | S | . | . | trans | -68.6 | 147.2 | 176.2 | 0 | 0 | 0 | 0 | 0 | 111.4 | E1000 R1067 V1068 V1069 | E1000-A1065 HydrophobicContact CG-CB 4Å; E1000-A1065 WeakPolarHBondContact OE1-CB 3.33Å; A1065-R1067 HydrophobicContact CB-CG 4.28Å; A1065-R1067 PolarHBondContact O-N 3.07Å; A1065-V1068 HydrophobicContact CB-CG2 4.39Å; A1065-V1068 WeakPolarHBondContact O-CA 3.47Å; A1065-V1068 WeakPolarHBondContact O-CB 3.3Å; A1065-V1068 PolarHBondContact O-N 2.66Å; A1065-V1069 PolarHBondContact O-N 3.21Å | ||
| 1066 | R | 82.4 | Confident | 77.5 | Confident | 104 Ų | 104 | 60.4 Ų | 60.4 | 39% | 0.392 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -51.1 | -31.4 | -177.9 | -175.1 | 172.1 | 179.3 | 141.4 | 6.7 | 114.3 | L1026 T1027 M1030 A1070 | L1026-R1066 HydrophobicContact CD1-CG 4.31Å; L1026-R1066 HydrophobicContact CD2-CG 3.81Å; L1026-R1066 HydrophobicContact CG-CG 3.85Å; T1027-R1066 PolarHBondContact OG1-NH1 3Å; T1027-R1066 PolarHBondContact OG1-NH2 3.47Å; M1030-R1066 HydrophobicContact CG-CB 4.28Å; M1030-R1066 HydrophobicContact CG-CG 4.08Å; M1030-R1066 HydrophobicContact SD-CB 4.17Å; R1066-A1070 WeakPolarHBondContact O-CB 3.36Å; R1066-A1070 PolarHBondContact O-N 3.47Å; R1066-A1070 VanDerWaalsContact O-N 3.07Å |
| 1067 | R | 81.4 | Confident | 79.4 | Confident | 176 Ų | 176 | 57.5 Ų | 57.5 | 66% | 0.664 | 32% | 0.316 | S | S | * | . | H | α-helix | trans | -68.8 | -36.2 | 174.5 | 64.6 | -179.9 | 177.6 | 170.2 | 0.1 | 113.8 | E1000 A1065 A1071 | E1000-R1067 IonicContact OE1-CZ 2.68Å; E1000-R1067 VanDerWaalsContact OE1-CZ 3.26Å; E1000-R1067 IonicContact OE1-NE 3.44Å; E1000-R1067 PolarHBondContact OE1-NE 3.24Å; E1000-R1067 IonicContact OE1-NH2 3.93Å; E1000-R1067 PolarHBondContact OE1-NH2 3.28Å; E1000-R1067 IonicContact OE2-CZ 2.83Å; E1000-R1067 IonicContact OE2-NE 2.72Å; E1000-R1067 IonicContact OE2-NH2 2.89Å; E1000-R1067 PolarHBondContact OE2-NH2 3.18Å; A1065-R1067 HydrophobicContact CB-CG 4.28Å; A1065-R1067 PolarHBondContact O-N 3.07Å; R1067-A1071 WeakPolarHBondContact O-CB 3.11Å; R1067-A1071 PolarHBondContact O-N 3.47Å |
| 1068 | V | 83.5 | Confident | 81 | Confident | 27 Ų | 27 | 55.7 Ų | 55.7 | 16% | 0.164 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -75 | -39.3 | 179.5 | -178.5 | 0 | 0 | 0 | 0 | 110.7 | E1000 R1064 A1065 A1071 K1072 | E1000-V1068 HydrophobicContact CB-CG2 3.92Å; E1000-V1068 HydrophobicContact CG-CG2 4.07Å; R1064-V1068 HydrophobicContact CB-CB 4.43Å; R1064-V1068 HydrophobicContact CB-CG1 4.44Å; A1065-V1068 HydrophobicContact CB-CG2 4.39Å; A1065-V1068 WeakPolarHBondContact O-CA 3.47Å; A1065-V1068 WeakPolarHBondContact O-CB 3.3Å; A1065-V1068 PolarHBondContact O-N 2.66Å; V1068-A1071 PolarHBondContact O-N 3.31Å; V1068-K1072 PolarHBondContact O-N 3.36Å |
| 1069 | V | 86 | Confident | 82 | Confident | 1 Ų | 1 | 51.2 Ų | 51.2 | 1% | 0.006 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -64.4 | -48.1 | 173.7 | -178.5 | 0 | 0 | 0 | 0 | 110.5 | W1004 L1012 L1026 I1029 M1030 I1033 R1064 A1065 A1071 K1072 I1073 | W1004-V1069 HydrophobicContact CH2-CG2 4.21Å; W1004-V1069 HydrophobicContact CZ2-CG2 4.49Å; L1012-V1069 HydrophobicContact CD1-CG1 4.13Å; L1026-V1069 HydrophobicContact CD1-CG1 4.4Å; I1029-V1069 HydrophobicContact CG2-CG1 4.03Å; M1030-V1069 HydrophobicContact SD-CB 4.04Å; M1030-V1069 HydrophobicContact SD-CG1 4.39Å; M1030-V1069 HydrophobicContact SD-CG2 3.7Å; I1033-V1069 HydrophobicContact CD1-CG1 3.9Å; I1033-V1069 HydrophobicContact CD1-CG2 4.34Å; R1064-V1069 HydrophobicContact CB-CG2 3.87Å; A1065-V1069 PolarHBondContact O-N 3.21Å; V1069-A1071 PolarHBondContact O-N 3.12Å; V1069-K1072 PolarHBondContact O-N 3.45Å; V1069-I1073 HydrophobicContact CG1-CD1 3.97Å; V1069-I1073 VanDerWaalsContact O-CG1 3.31Å; V1069-I1073 WeakPolarHBondContact O-CG1 3.43Å; V1069-I1073 PolarHBondContact O-N 2.96Å |
| 1070 | A | 86 | Confident | 82.2 | Confident | 2 Ų | 2 | 52.5 Ų | 52.5 | 2% | 0.017 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -57.7 | -44.8 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.9 | L1026 R1066 K1072 I1073 L1074 L1085 | L1026-A1070 HydrophobicContact CD1-CB 3.94Å; L1026-A1070 HydrophobicContact CD2-CB 3.75Å; R1066-A1070 WeakPolarHBondContact O-CB 3.36Å; R1066-A1070 PolarHBondContact O-N 3.47Å; R1066-A1070 VanDerWaalsContact O-N 3.07Å; A1070-K1072 VanDerWaalsContact C-N 3.34Å; A1070-K1072 PolarHBondContact O-N 2.9Å; A1070-I1073 PolarHBondContact O-N 3.03Å; A1070-L1074 WeakPolarHBondContact O-CG 3.41Å; A1070-L1074 PolarHBondContact O-N 3.39Å; A1070-L1085 HydrophobicContact CB-CD1 4.34Å |
| 1071 | A | 85.3 | Confident | 82.2 | Confident | 55 Ų | 55 | 54.1 Ų | 54.1 | 46% | 0.455 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -60.1 | -42.1 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | R1067 V1068 V1069 L1074 E1075 | R1067-A1071 WeakPolarHBondContact O-CB 3.11Å; R1067-A1071 PolarHBondContact O-N 3.47Å; V1068-A1071 PolarHBondContact O-N 3.31Å; V1069-A1071 PolarHBondContact O-N 3.12Å; A1071-L1074 PolarHBondContact O-N 2.72Å; A1071-E1075 WeakPolarHBondContact O-CB 3.43Å; A1071-E1075 PolarHBondContact O-N 3.45Å |
| 1072 | K | 85.4 | Confident | 82.2 | Confident | 23 Ų | 23 | 56.4 Ų | 56.4 | 10% | 0.1 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -69.1 | -35.3 | 179.2 | -166.7 | 58.7 | 161.3 | -177.9 | 0 | 113.2 | W1004 L1012 V1068 V1069 A1070 L1074 E1075 L1076 | W1004-K1072 HydrophobicContact CD2-CB 4.44Å; W1004-K1072 HydrophobicContact CD2-CD 4.44Å; W1004-K1072 HydrophobicContact CD2-CG 3.82Å; W1004-K1072 HydrophobicContact CE3-CG 4.38Å; W1004-K1072 HydrophobicContact CG-CD 4.22Å; W1004-K1072 HydrophobicContact CG-CG 4.13Å; W1004-K1072 HydrophobicContact CH2-CB 4.24Å; W1004-K1072 HydrophobicContact CH2-CG 4.38Å; W1004-K1072 HydrophobicContact CZ2-CB 3.5Å; W1004-K1072 VanDerWaalsContact CZ2-CB 3.5Å; W1004-K1072 HydrophobicContact CZ2-CG 3.8Å; L1012-K1072 HydrophobicContact CD2-CB 4.4Å; L1012-K1072 HydrophobicContact CD2-CG 4.17Å; V1068-K1072 PolarHBondContact O-N 3.36Å; V1069-K1072 PolarHBondContact O-N 3.45Å; A1070-K1072 VanDerWaalsContact C-N 3.34Å; A1070-K1072 PolarHBondContact O-N 2.9Å; K1072-L1074 VanDerWaalsContact C-N 3.29Å; K1072-L1074 PolarHBondContact O-N 3.48Å; K1072-E1075 HydrophobicContact CD-CB 4.26Å; K1072-E1075 WeakPolarHBondContact CD-OE2 3.42Å; K1072-E1075 IonicContact NZ-OE1 2.7Å; K1072-E1075 PolarHBondContact NZ-OE1 2.75Å; K1072-E1075 IonicContact NZ-OE2 3.92Å; K1072-E1075 PolarHBondContact NZ-OE2 3.39Å; K1072-E1075 PolarHBondContact O-N 3.27Å; K1072-L1076 HydrophobicContact CD-CD1 4.37Å; K1072-L1076 HydrophobicContact CD-CG 4.2Å; K1072-L1076 HydrophobicContact CG-CD1 3.86Å; K1072-L1076 HydrophobicContact CG-CG 4.18Å; K1072-L1076 WeakPolarHBondContact O-CB 3.21Å; K1072-L1076 VanDerWaalsContact O-CG 3.22Å; K1072-L1076 WeakPolarHBondContact O-CG 3.39Å; K1072-L1076 PolarHBondContact O-N 3.25Å |
| 1073 | I | 86.1 | Confident | 82.1 | Confident | 0 Ų | 0 | 61.6 Ų | 61.6 | 0% | 0 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -61.9 | -39.7 | 176 | -64.5 | 164 | 0 | 0 | 0 | 110.7 | L1012 V1016 L1026 I1029 V1069 A1070 G1077 L1078 V1079 L1085 | L1012-I1073 HydrophobicContact CD1-CD1 4.42Å; L1012-I1073 HydrophobicContact CD1-CG1 4.18Å; L1012-I1073 HydrophobicContact CD2-CG1 4.12Å; L1012-I1073 HydrophobicContact CG-CG1 4.35Å; V1016-I1073 HydrophobicContact CG1-CG2 4.43Å; V1016-I1073 HydrophobicContact CG2-CD1 4Å; V1016-I1073 HydrophobicContact CG2-CG1 3.93Å; V1016-I1073 HydrophobicContact CG2-CG2 4.2Å; L1026-I1073 HydrophobicContact CD1-CD1 4.18Å; I1029-I1073 HydrophobicContact CD1-CD1 3.84Å; I1029-I1073 HydrophobicContact CG2-CD1 4.46Å; V1069-I1073 HydrophobicContact CG1-CD1 3.97Å; V1069-I1073 VanDerWaalsContact O-CG1 3.31Å; V1069-I1073 WeakPolarHBondContact O-CG1 3.43Å; V1069-I1073 PolarHBondContact O-N 2.96Å; A1070-I1073 PolarHBondContact O-N 3.03Å; I1073-G1077 PolarHBondContact O-N 3.25Å; I1073-L1078 HydrophobicContact CG2-CB 4.07Å; I1073-L1078 PolarHBondContact O-N 3.16Å; I1073-V1079 HydrophobicContact CG2-CB 4.04Å; I1073-V1079 HydrophobicContact CG2-CG2 3.65Å; I1073-L1085 HydrophobicContact CB-CD1 4.16Å; I1073-L1085 HydrophobicContact CD1-CD2 4.03Å; I1073-L1085 HydrophobicContact CG2-CD1 4.06Å; I1073-L1085 HydrophobicContact CG2-CD2 4.18Å |
| 1074 | L | 85.7 | Confident | 81.7 | Confident | 58 Ų | 58 | 62.5 Ų | 62.5 | 30% | 0.304 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -70.5 | -44.1 | 174.4 | -63.3 | 171.3 | 0 | 0 | 0 | 112.1 | A1070 A1071 K1072 L1076 G1077 V1079 E1082 L1085 | A1070-L1074 WeakPolarHBondContact O-CG 3.41Å; A1070-L1074 PolarHBondContact O-N 3.39Å; A1071-L1074 PolarHBondContact O-N 2.72Å; K1072-L1074 VanDerWaalsContact C-N 3.29Å; K1072-L1074 PolarHBondContact O-N 3.48Å; L1074-L1076 PolarHBondContact O-N 3.39Å; L1074-G1077 PolarHBondContact O-N 2.97Å; L1074-V1079 HydrophobicContact CD2-CG1 4.43Å; L1074-E1082 HydrophobicContact CD1-CB 3.9Å; L1074-E1082 HydrophobicContact CD1-CG 3.98Å; L1074-L1085 HydrophobicContact CD2-CD1 4.21Å; L1074-L1085 HydrophobicContact CG-CD1 4.14Å |
| 1075 | E | 86.5 | Confident | 81.1 | Confident | 136 Ų | 136 | 62.4 Ų | 62.4 | 64% | 0.636 | 33% | 0.329 | S | S | * | . | H | α-helix | trans | -59.4 | -34.8 | 177.1 | -164.5 | -148 | 121.8 | 0 | 0 | 112.3 | A1071 K1072 G1077 | A1071-E1075 WeakPolarHBondContact O-CB 3.43Å; A1071-E1075 PolarHBondContact O-N 3.45Å; K1072-E1075 HydrophobicContact CD-CB 4.26Å; K1072-E1075 WeakPolarHBondContact CD-OE2 3.42Å; K1072-E1075 IonicContact NZ-OE1 2.7Å; K1072-E1075 PolarHBondContact NZ-OE1 2.75Å; K1072-E1075 IonicContact NZ-OE2 3.92Å; K1072-E1075 PolarHBondContact NZ-OE2 3.39Å; K1072-E1075 PolarHBondContact O-N 3.27Å; E1075-G1077 VanDerWaalsContact C-N 3.3Å; E1075-G1077 PolarHBondContact O-N 3.1Å |
| 1076 | L | 86.2 | Confident | 80.3 | Confident | 38 Ų | 38 | 65.7 Ų | 65.7 | 20% | 0.199 | 34% | 0.338 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -82 | -0.4 | 176.6 | -68.4 | 171.1 | 0 | 0 | 0 | 114 | I1009 L1012 K1072 L1074 L1078 | I1009-L1076 HydrophobicContact CG2-CD1 3.91Å; I1009-L1076 HydrophobicContact CG2-CD2 3.82Å; L1012-L1076 HydrophobicContact CD2-CD1 3.98Å; K1072-L1076 HydrophobicContact CD-CD1 4.37Å; K1072-L1076 HydrophobicContact CD-CG 4.2Å; K1072-L1076 HydrophobicContact CG-CD1 3.86Å; K1072-L1076 HydrophobicContact CG-CG 4.18Å; K1072-L1076 WeakPolarHBondContact O-CB 3.21Å; K1072-L1076 VanDerWaalsContact O-CG 3.22Å; K1072-L1076 WeakPolarHBondContact O-CG 3.39Å; K1072-L1076 PolarHBondContact O-N 3.25Å; L1074-L1076 PolarHBondContact O-N 3.39Å; L1076-L1078 VanDerWaalsContact C-N 3.25Å; L1076-L1078 HydrophobicContact CB-CD1 3.99Å; L1076-L1078 HydrophobicContact CB-CD2 4.48Å; L1076-L1078 HydrophobicContact CB-CG 3.8Å; L1076-L1078 HydrophobicContact CD1-CD1 4.12Å; L1076-L1078 PolarHBondContact O-N 3.45Å |
| 1077 | G | 84.2 | Confident | 78.8 | Confident | 64 Ų | 64 | 70.1 Ų | 70.1 | 66% | 0.66 | 35% | 0.354 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 66.1 | 20.6 | 178.8 | 0 | 0 | 0 | 0 | 0 | 115.1 | I1073 L1074 E1075 V1079 | I1073-G1077 PolarHBondContact O-N 3.25Å; L1074-G1077 PolarHBondContact O-N 2.97Å; E1075-G1077 VanDerWaalsContact C-N 3.3Å; E1075-G1077 PolarHBondContact O-N 3.1Å; G1077-V1079 VanDerWaalsContact C-N 3.29Å; G1077-V1079 PolarHBondContact O-N 3.21Å |
| 1078 | L | 83.3 | Confident | 76.6 | Confident | 38 Ų | 38 | 66.1 Ų | 66.1 | 20% | 0.199 | 36% | 0.359 | C | S | . | . | S | Bend | trans | -80.1 | -14.1 | -175.7 | -54.3 | 174.3 | 0 | 0 | 0 | 113.2 | R1013 V1016 I1073 L1076 | R1013-L1078 HydrophobicContact CG-CD1 3.89Å; R1013-L1078 HydrophobicContact CG-CD2 3.82Å; R1013-L1078 HydrophobicContact CG-CG 4.49Å; V1016-L1078 HydrophobicContact CB-CD1 4.33Å; V1016-L1078 HydrophobicContact CG1-CB 3.97Å; V1016-L1078 HydrophobicContact CG1-CD1 4.36Å; V1016-L1078 HydrophobicContact CG2-CD1 4.23Å; I1073-L1078 HydrophobicContact CG2-CB 4.07Å; I1073-L1078 PolarHBondContact O-N 3.16Å; L1076-L1078 VanDerWaalsContact C-N 3.25Å; L1076-L1078 HydrophobicContact CB-CD1 3.99Å; L1076-L1078 HydrophobicContact CB-CD2 4.48Å; L1076-L1078 HydrophobicContact CB-CG 3.8Å; L1076-L1078 HydrophobicContact CD1-CD1 4.12Å; L1076-L1078 PolarHBondContact O-N 3.45Å |
| 1079 | V | 81.6 | Confident | 74.5 | Confident | 9 Ų | 9 | 70.6 Ų | 70.6 | 6% | 0.055 | 39% | 0.386 | C | S | . | . | S | Bend | trans | -148 | 128.5 | -176.3 | 170.5 | 0 | 0 | 0 | 0 | 108.2 | V1016 M1025 I1073 L1074 G1077 N1081 Q1084 L1085 | V1016-V1079 HydrophobicContact CG1-CG2 4.41Å; M1025-V1079 HydrophobicContact SD-CG2 4.2Å; I1073-V1079 HydrophobicContact CG2-CB 4.04Å; I1073-V1079 HydrophobicContact CG2-CG2 3.65Å; L1074-V1079 HydrophobicContact CD2-CG1 4.43Å; G1077-V1079 VanDerWaalsContact C-N 3.29Å; G1077-V1079 PolarHBondContact O-N 3.21Å; V1079-N1081 VanDerWaalsContact C-N 3.32Å; V1079-N1081 WeakPolarHBondContact CG1-O 3.36Å; V1079-N1081 PolarHBondContact O-N 3.05Å; V1079-Q1084 HydrophobicContact CG1-CB 3.62Å; V1079-Q1084 HydrophobicContact CG1-CG 4.14Å; V1079-L1085 HydrophobicContact CG1-CD1 4.48Å; V1079-L1085 HydrophobicContact CG1-CG 4.18Å; V1079-L1085 HydrophobicContact CG2-CD2 4.32Å |
| 1080 | D | 77.1 | Confident | 72.1 | Confident | 132 Ų | 132 | 80.9 Ų | 80.9 | 71% | 0.706 | 43% | 0.427 | S | S | * | . | S | Bend | trans | -69.1 | -28.5 | -170.6 | -37.1 | -82.5 | 0 | 0 | 0 | 113.8 | Q1084 | D1080-Q1084 PolarHBondContact OD2-NE2 3.1Š|
| 1081 | N | 75.9 | Confident | 69.5 | Low | 100 Ų | 100 | 90.5 Ų | 90.5 | 54% | 0.535 | 47% | 0.468 | S | S | . | . | trans | -151.9 | 140 | -170.1 | -88.1 | -86.2 | 0 | 0 | 0 | 112 | V1079 N1083 Q1084 | V1079-N1081 VanDerWaalsContact C-N 3.32Å; V1079-N1081 WeakPolarHBondContact CG1-O 3.36Å; V1079-N1081 PolarHBondContact O-N 3.05Å; N1081-N1083 PolarHBondContact O-N 2.96Å; N1081-Q1084 PolarHBondContact O-N 3.47Å | ||
| 1082 | E | 73.6 | Confident | 66.9 | Low | 83 Ų | 83 | 99.4 Ų | 99.4 | 39% | 0.388 | 49% | 0.49 | S | S | . | . | G | 310 helix | trans | -57.8 | -23.4 | -179.7 | -160.4 | -170.4 | -150.5 | 0 | 0 | 113.5 | L1074 Q1084 L1085 K1086 | L1074-E1082 HydrophobicContact CD1-CB 3.9Å; L1074-E1082 HydrophobicContact CD1-CG 3.98Å; E1082-Q1084 PolarHBondContact O-N 2.85Å; E1082-L1085 WeakPolarHBondContact O-CB 3.15Å; E1082-L1085 PolarHBondContact O-N 2.97Å; E1082-K1086 HydrophobicContact CG-CD 4.08Å; E1082-K1086 PolarHBondContact O-N 2.99Å; E1082-K1086 WeakPolarHBondContact OE1-CE 3.32Å; E1082-K1086 IonicContact OE1-NZ 3.43Å; E1082-K1086 PolarHBondContact OE1-NZ 3.32Å; E1082-K1086 WeakPolarHBondContact OE2-CE 3.32Å; E1082-K1086 IonicContact OE2-NZ 2.89Å; E1082-K1086 PolarHBondContact OE2-NZ 3.19Å |
| 1083 | N | 73 | Confident | 64.2 | Low | 132 Ų | 132 | 107.2 Ų | 107.2 | 71% | 0.706 | 52% | 0.524 | S | S | * | . | G | 310 helix | trans | -61.4 | -26.7 | 174.6 | -69.7 | -30.5 | 0 | 0 | 0 | 113.7 | N1081 L1085 K1086 | N1081-N1083 PolarHBondContact O-N 2.96Å; N1083-L1085 VanDerWaalsContact C-N 3.27Å; N1083-K1086 VanDerWaalsContact O-O 3.1Å |
| 1084 | Q | 72.4 | Confident | 61.5 | Low | 95 Ų | 95 | 113.3 Ų | 113.3 | 44% | 0.444 | 56% | 0.563 | S | S | . | * | G | 310 helix | trans | -74.4 | -20.6 | 174.1 | -57.5 | -177.7 | 28.1 | 0 | 0 | 112.1 | V1079 D1080 N1081 E1082 | V1079-Q1084 HydrophobicContact CG1-CB 3.62Å; V1079-Q1084 HydrophobicContact CG1-CG 4.14Å; D1080-Q1084 PolarHBondContact OD2-NE2 3.1Å; N1081-Q1084 PolarHBondContact O-N 3.47Å; E1082-Q1084 PolarHBondContact O-N 2.85Å |
| 1085 | L | 69.5 | Low | 58.7 | Low | 5 Ų | 5 | 119.4 Ų | 119.4 | 3% | 0.026 | 59% | 0.59 | C | S | . | * | T | Hydrogen-bonded Turn | trans | -93 | -10.4 | 178.1 | -67 | 169.4 | 0 | 0 | 0 | 113.4 | M1025 L1026 A1070 I1073 L1074 V1079 E1082 N1083 | M1025-L1085 HydrophobicContact CG-CD2 4.47Å; M1025-L1085 HydrophobicContact SD-CD2 3.79Å; L1026-L1085 HydrophobicContact CB-CB 4.18Å; L1026-L1085 HydrophobicContact CB-CD2 4.18Å; L1026-L1085 WeakPolarHBondContact CB-O 3.09Å; L1026-L1085 HydrophobicContact CD2-CB 4.15Å; L1026-L1085 WeakPolarHBondContact CD2-O 2.98Å; A1070-L1085 HydrophobicContact CB-CD1 4.34Å; I1073-L1085 HydrophobicContact CB-CD1 4.16Å; I1073-L1085 HydrophobicContact CD1-CD2 4.03Å; I1073-L1085 HydrophobicContact CG2-CD1 4.06Å; I1073-L1085 HydrophobicContact CG2-CD2 4.18Å; L1074-L1085 HydrophobicContact CD2-CD1 4.21Å; L1074-L1085 HydrophobicContact CG-CD1 4.14Å; V1079-L1085 HydrophobicContact CG1-CD1 4.48Å; V1079-L1085 HydrophobicContact CG1-CG 4.18Å; V1079-L1085 HydrophobicContact CG2-CD2 4.32Å; E1082-L1085 WeakPolarHBondContact O-CB 3.15Å; E1082-L1085 PolarHBondContact O-N 2.97Å; N1083-L1085 VanDerWaalsContact C-N 3.27Å |
| 1086 | K | 61.4 | Low | 56 | Low | 102 Ų | 102 | 121.7 Ų | 121.7 | 44% | 0.443 | 60% | 0.598 | S | S | . | * | S | Bend | trans | -123.6 | 133.3 | -173.4 | -71.1 | -178.7 | 179 | 172.3 | 0 | 112 | E1082 N1083 A1088 | E1082-K1086 HydrophobicContact CG-CD 4.08Å; E1082-K1086 PolarHBondContact O-N 2.99Å; E1082-K1086 WeakPolarHBondContact OE1-CE 3.32Å; E1082-K1086 IonicContact OE1-NZ 3.43Å; E1082-K1086 PolarHBondContact OE1-NZ 3.32Å; E1082-K1086 WeakPolarHBondContact OE2-CE 3.32Å; E1082-K1086 IonicContact OE2-NZ 2.89Å; E1082-K1086 PolarHBondContact OE2-NZ 3.19Å; N1083-K1086 VanDerWaalsContact O-O 3.1Å; K1086-A1088 PolarHBondContact O-N 3.38Å |
| 1087 | R | 50.8 | Low | 53.1 | Low | 196 Ų | 196 | 129 Ų | 129 | 74% | 0.74 | 63% | 0.634 | S | S | * | * | trans | -59.7 | 129.4 | 168.3 | -173.1 | 175.1 | -176.3 | 174.1 | 1.9 | 109.3 | V1089 | R1087-V1089 VanDerWaalsContact C-N 3.3Å; R1087-V1089 PolarHBondContact O-N 3.11Å | ||
| 1088 | A | 35 | Very low | 50.6 | Low | 93 Ų | 93 | 134 Ų | 134 | 77% | 0.769 | 64% | 0.64 | S | S | * | * | trans | -67.9 | 83.5 | 177.1 | 0 | 0 | 0 | 0 | 0 | 111.5 | K1086 Y1090 | K1086-A1088 PolarHBondContact O-N 3.38Å; A1088-Y1090 PolarHBondContact O-N 3.27Å | ||
| 1089 | V | 40.6 | Very low | 48 | Very low | 120 Ų | 120 | 139.8 Ų | 139.8 | 73% | 0.727 | 67% | 0.671 | S | S | * | * | trans | -80.9 | 106.2 | 173.8 | 179.9 | 0 | 0 | 0 | 0 | 108.4 | R1087 K1091 | R1087-V1089 VanDerWaalsContact C-N 3.3Å; R1087-V1089 PolarHBondContact O-N 3.11Å; V1089-K1091 PolarHBondContact O-N 2.92Å | ||
| 1090 | Y | 33.9 | Very low | 45.5 | Very low | 218 Ų | 218 | 145.7 Ų | 145.7 | 86% | 0.855 | 71% | 0.707 | S | S | * | * | trans | -52.6 | 122.6 | 169 | -89.8 | -98 | 0 | 0 | 0 | 109.9 | A1088 R1092 | A1088-Y1090 PolarHBondContact O-N 3.27Å; Y1090-R1092 PolarHBondContact O-N 2.59Å | ||
| 1091 | K | 32.1 | Very low | 43.2 | Very low | 204 Ų | 204 | 145.3 Ų | 145.3 | 89% | 0.887 | 71% | 0.705 | S | S | * | * | trans | -61.1 | 106.1 | 172.1 | -72.4 | -178 | 178 | 177.6 | 0 | 108.8 | V1089 K1093 | V1089-K1091 PolarHBondContact O-N 2.92Å; K1091-K1093 PolarHBondContact O-N 2.78Å | ||
| 1092 | R | 30.9 | Very low | 40.9 | Very low | 242 Ų | 242 | 147.4 Ų | 147.4 | 91% | 0.913 | 71% | 0.713 | S | S | * | * | trans | -57.3 | 127 | 158.6 | -77.4 | -174 | 172.1 | 179.6 | -4 | 107.2 | Y1090 | Y1090-R1092 PolarHBondContact O-N 2.59Š| ||
| 1093 | K | 28.9 | Very low | 38.9 | Very low | 186 Ų | 186 | 149.2 Ų | 149.2 | 81% | 0.809 | 73% | 0.725 | S | S | * | * | trans | -62.3 | 150 | 171.1 | -69 | 178 | 178.1 | 176.9 | 0 | 108.3 | K1091 E1095 | K1091-K1093 PolarHBondContact O-N 2.78Å; K1093-E1095 PolarHBondContact O-N 3.03Å; K1093-E1095 VanDerWaalsContact O-N 3.07Å | ||
| 1094 | P | 28.3 | Very low | 36.8 | Very low | 128 Ų | 128 | 148.2 Ų | 148.2 | 83% | 0.831 | 72% | 0.724 | S | S | * | * | trans | -64.1 | 112.3 | 167.9 | 27.9 | -32.5 | 0 | 0 | 0 | 108.1 | ||||
| 1095 | E | 28.7 | Very low | 34.7 | Very low | 186 Ų | 186 | 148.1 Ų | 148.1 | 87% | 0.869 | 73% | 0.733 | S | S | * | * | trans | -68.4 | 135.5 | 168.9 | -72.5 | 177 | 142.6 | 0 | 0 | 108.3 | K1093 M1097 | K1093-E1095 PolarHBondContact O-N 3.03Å; K1093-E1095 VanDerWaalsContact O-N 3.07Å; E1095-M1097 PolarHBondContact O-N 3.24Å | ||
| 1096 | K | 28.6 | Very low | 32.8 | Very low | 185 Ų | 185 | 157.6 Ų | 157.6 | 80% | 0.804 | 78% | 0.775 | S | S | * | * | trans | -66.9 | 125.6 | 176.8 | -65.5 | 176.5 | 178.8 | 178.9 | 0 | 107.5 | Q1098 | K1096-Q1098 VanDerWaalsContact C-N 3.32Å; K1096-Q1098 HydrophobicContact CB-CG 4.37Å; K1096-Q1098 PolarHBondContact O-N 3.1Å | ||
| 1097 | M | 26.6 | Very low | 31.2 | Very low | 191 Ų | 191 | 156.7 Ų | 156.7 | 94% | 0.941 | 79% | 0.794 | S | S | * | * | trans | -62.8 | 101.6 | 158.2 | -70.1 | 176.4 | 68.3 | 0 | 0 | 107 | E1095 | E1095-M1097 PolarHBondContact O-N 3.24Š| ||
| 1098 | Q | 29.8 | Very low | 30.2 | Very low | 170 Ų | 170 | 151.5 Ų | 151.5 | 79% | 0.794 | 79% | 0.788 | S | S | * | * | trans | -87.1 | 140.3 | 165.4 | -66.6 | -172.5 | -98.8 | 0 | 0 | 107.8 | K1096 | K1096-Q1098 VanDerWaalsContact C-N 3.32Å; K1096-Q1098 HydrophobicContact CB-CG 4.37Å; K1096-Q1098 PolarHBondContact O-N 3.1Å | ||
| 1099 | N | 29.4 | Very low | 29.9 | Very low | 159 Ų | 159 | 155.7 Ų | 155.7 | 85% | 0.85 | 79% | 0.789 | S | S | * | * | trans | -62.9 | 150.2 | 178 | -63.2 | -8.3 | 0 | 0 | 0 | 110.3 | D1101 | N1099-D1101 PolarHBondContact O-N 3.17Š| ||
| 1100 | V | 29.2 | Very low | 29.5 | Very low | 133 Ų | 133 | 158.5 Ų | 158.5 | 81% | 0.806 | 79% | 0.791 | S | S | * | * | trans | -78.5 | 102.2 | 176.9 | 179.7 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 1101 | D | 28.9 | Very low | 29.3 | Very low | 123 Ų | 123 | 152.4 Ų | 152.4 | 66% | 0.658 | 78% | 0.78 | S | S | * | * | trans | -85.6 | 130.9 | 156.6 | -98.8 | 0.2 | 0 | 0 | 0 | 108 | R45 N1099 | R45-D1101 IonicContact NH1-OD2 3.17Å; N1099-D1101 PolarHBondContact O-N 3.17Å | ||
| 1102 | M | 28.5 | Very low | 29.3 | Very low | 144 Ų | 144 | 152 Ų | 152 | 71% | 0.709 | 78% | 0.778 | S | S | * | * | trans | -96.4 | 129.2 | 170.2 | -86 | -66.1 | -62.3 | 0 | 0 | 110.5 | ||||
| 1103 | D | 29.7 | Very low | 29.4 | Very low | 121 Ų | 121 | 144.6 Ų | 144.6 | 65% | 0.647 | 76% | 0.764 | S | S | * | * | trans | -166.8 | 103.6 | 148.6 | -107.1 | -24.8 | 0 | 0 | 0 | 113.5 | R86 | R86-D1103 IonicContact NH2-OD2 2.88Š| ||
| 1104 | V | 29.5 | Very low | 29.5 | Very low | 111 Ų | 111 | 147.1 Ų | 147.1 | 67% | 0.673 | 77% | 0.768 | S | S | * | * | trans | 37.9 | 98.3 | 138.4 | -169.9 | 0 | 0 | 0 | 0 | 121.9 | ||||
| 1105 | S | 28.4 | Very low | 29.6 | Very low | 93 Ų | 93 | 150.7 Ų | 150.7 | 65% | 0.65 | 77% | 0.771 | S | S | * | * | trans | 45.6 | 139.5 | 131.6 | 89.5 | 0 | 0 | 0 | 0 | 124.8 | ||||
| 1106 | K | 29.9 | Very low | 29.7 | Very low | 205 Ų | 205 | 150.8 Ų | 150.8 | 89% | 0.891 | 77% | 0.768 | S | S | * | * | -179.8 | 108.9 | 119.6 | -99.8 | 162.3 | -174.9 | 166.6 | 0 | 116.2 | |||||
| 1107 | G | 27.5 | Very low | 29.5 | Very low | 82 Ų | 82 | 150.5 Ų | 150.5 | 85% | 0.845 | 77% | 0.767 | S | S | * | * | trans | 75.1 | 157.9 | 140 | 0 | 0 | 0 | 0 | 0 | 121.4 | ||||
| 1108 | S | 29.3 | Very low | 30.1 | Very low | 87 Ų | 87 | 146.6 Ų | 146.6 | 61% | 0.608 | 76% | 0.756 | S | S | * | * | cis | -166.9 | 158.4 | -13.6 | 69.2 | 0 | 0 | 0 | 0 | 113 | ||||
| 1109 | K | 30.3 | Very low | 30 | Very low | 182 Ų | 182 | 143.1 Ų | 143.1 | 79% | 0.791 | 75% | 0.75 | S | S | * | * | trans | 75.6 | 146.1 | 160.9 | -59.1 | 153.3 | -168.8 | 161.9 | 0 | 116 | ||||
| 1110 | K | 31 | Very low | 29.9 | Very low | 178 Ų | 178 | 140.3 Ų | 140.3 | 77% | 0.774 | 74% | 0.743 | S | S | * | * | cis | -162.3 | 138.6 | -0.1 | -126.6 | 174.2 | -176.6 | -180 | 0 | 113.3 | ||||
| 1111 | S | 30 | Very low | 29.9 | Very low | 90 Ų | 90 | 139.2 Ų | 139.2 | 63% | 0.629 | 74% | 0.741 | S | S | * | * | trans | 43.6 | 136.9 | 137 | 66.2 | 0 | 0 | 0 | 0 | 121.6 | ||||
| 1112 | K | 32.8 | Very low | 29.9 | Very low | 195 Ų | 195 | 139.4 Ų | 139.4 | 85% | 0.848 | 75% | 0.747 | S | S | * | * | cis | -170.7 | -179.7 | 39.7 | -106.2 | 142.5 | 172.3 | -172 | 0 | 108.6 | ||||
| 1113 | S | 32.3 | Very low | 29.8 | Very low | 87 Ų | 87 | 136.7 Ų | 136.7 | 61% | 0.608 | 74% | 0.742 | S | S | * | * | cis | 177.1 | 146.4 | -48.8 | 67 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 1114 | R | 30.7 | Very low | 29.7 | Very low | 240 Ų | 240 | 137.8 Ų | 137.8 | 91% | 0.906 | 75% | 0.748 | S | S | * | * | trans | 71 | 151 | 162.8 | -67.2 | 172.1 | 164.8 | 171 | -5 | 117 | ||||
| 1115 | K | 30.7 | Very low | 29.7 | Very low | 202 Ų | 202 | 139.6 Ų | 139.6 | 88% | 0.878 | 75% | 0.754 | S | S | * | * | cis | -118.8 | -172 | 1.5 | -97 | 157.3 | 177.5 | 174.2 | 0 | 108.9 | ||||
| 1116 | K | 30.5 | Very low | 29.6 | Very low | 189 Ų | 189 | 141.4 Ų | 141.4 | 82% | 0.822 | 75% | 0.752 | S | S | * | * | cis | -147.2 | -175.7 | 1.5 | -154.2 | -152.2 | 164.9 | -175.1 | 0 | 109.4 | ||||
| 1117 | K | 25.7 | Very low | 29.4 | Very low | 179 Ų | 179 | 140.8 Ų | 140.8 | 78% | 0.778 | 74% | 0.744 | S | S | * | * | trans | -161.7 | -175.3 | 166.6 | -105.3 | -166.8 | 179.5 | -172.5 | 0 | 108.4 | ||||
| 1118 | P | 37.5 | Very low | 29.2 | Very low | 109 Ų | 109 | 141.6 Ų | 141.6 | 71% | 0.708 | 74% | 0.737 | S | S | * | * | cis | -99.2 | -131.7 | -12.7 | 25.8 | -3.5 | 0 | 0 | 0 | 109.5 | ||||
| 1119 | S | 27.6 | Very low | 29.1 | Very low | 97 Ų | 97 | 146 Ų | 146 | 68% | 0.678 | 75% | 0.75 | S | S | * | * | cis | -177.9 | 160.6 | 4.1 | 22.1 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 1120 | S | 28.8 | Very low | 28.8 | Very low | 100 Ų | 100 | 144.3 Ų | 144.3 | 70% | 0.699 | 75% | 0.75 | S | S | * | * | cis | 179.3 | 154.4 | -24 | 49 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 1121 | S | 28.1 | Very low | 28.6 | Very low | 109 Ų | 109 | 140.3 Ų | 140.3 | 76% | 0.762 | 74% | 0.744 | S | S | * | * | trans | 59.7 | 145.1 | 175.4 | 45.9 | 0 | 0 | 0 | 0 | 116.9 | ||||
| 1122 | T | 28.6 | Very low | 28.3 | Very low | 127 Ų | 127 | 139.9 Ų | 139.9 | 78% | 0.779 | 74% | 0.741 | S | S | * | * | cis | -160.1 | -177.4 | -6.1 | 13.2 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 1123 | S | 27.8 | Very low | 28.1 | Very low | 87 Ų | 87 | 139.5 Ų | 139.5 | 61% | 0.608 | 74% | 0.736 | S | S | * | * | trans | -18.5 | 152.6 | 157 | 48.3 | 0 | 0 | 0 | 0 | 118.7 | ||||
| 1124 | D | 27.7 | Very low | 27.9 | Very low | 145 Ų | 145 | 142.5 Ų | 142.5 | 78% | 0.775 | 74% | 0.74 | S | S | * | * | cis | -163.2 | 176.2 | -1.5 | -96.6 | -25.1 | 0 | 0 | 0 | 110.5 | ||||
| 1125 | D | 28.1 | Very low | 27.7 | Very low | 148 Ų | 148 | 138.3 Ų | 138.3 | 79% | 0.791 | 73% | 0.731 | S | S | * | * | trans | 68.3 | 129.5 | 152.2 | -78.7 | -22.5 | 0 | 0 | 0 | 125.6 | ||||
| 1126 | E | 25.8 | Very low | 27.5 | Very low | 132 Ų | 132 | 137 Ų | 137 | 62% | 0.617 | 73% | 0.728 | S | S | * | * | trans | 66.2 | 134 | 137 | -68.9 | -134.2 | 104.9 | 0 | 0 | 126.1 | ||||
| 1127 | R | 26.4 | Very low | 27.3 | Very low | 191 Ų | 191 | 131.3 Ų | 131.3 | 72% | 0.721 | 72% | 0.716 | S | S | * | * | trans | 70.5 | 93.4 | 141.9 | -70.6 | 175.7 | -161.1 | -179.4 | 21.6 | 122 | ||||
| 1128 | S | 24 | Very low | 27.3 | Very low | 100 Ų | 100 | 128.3 Ų | 128.3 | 70% | 0.699 | 72% | 0.717 | S | S | * | * | 37 | 124.7 | 115.8 | 64.2 | 0 | 0 | 0 | 0 | 120.9 | |||||
| 1129 | M | 26.7 | Very low | 26.9 | Very low | 180 Ų | 180 | 129.2 Ų | 129.2 | 89% | 0.887 | 72% | 0.721 | S | S | * | * | -165.8 | 165.3 | 106.3 | -108.1 | -166.1 | -174.2 | 0 | 0 | 114.8 | |||||
| 1130 | N | 24.8 | Very low | 26.9 | Very low | 146 Ų | 146 | 128.7 Ų | 128.7 | 78% | 0.781 | 72% | 0.717 | S | S | * | * | trans | -33.2 | 160.1 | 156.6 | -70.5 | -7.5 | 0 | 0 | 0 | 115.9 | ||||
| 1131 | S | 25.2 | Very low | 27 | Very low | 93 Ų | 93 | 131.5 Ų | 131.5 | 65% | 0.65 | 72% | 0.719 | S | S | * | * | cis | -172.1 | 175.6 | -6.3 | 48.6 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 1132 | S | 25.2 | Very low | 27 | Very low | 82 Ų | 82 | 131 Ų | 131 | 57% | 0.573 | 72% | 0.715 | S | S | * | * | trans | 60.1 | 138.9 | 143.4 | 60.8 | 0 | 0 | 0 | 0 | 118.9 | ||||
| 1133 | Y | 29 | Very low | 26.9 | Very low | 187 Ų | 187 | 129.2 Ų | 129.2 | 73% | 0.733 | 71% | 0.708 | S | S | * | * | cis | -154.9 | 172.1 | 35.6 | -87.2 | -80.5 | 0 | 0 | 0 | 112 | ||||
| 1134 | E | 26.9 | Very low | 27.1 | Very low | 149 Ų | 149 | 131.4 Ų | 131.4 | 70% | 0.696 | 71% | 0.713 | S | S | * | * | trans | 38.9 | 150.9 | 134.5 | -66.5 | 154 | -165.8 | 0 | 0 | 121.8 | ||||
| 1135 | E | 26.5 | Very low | 27.1 | Very low | 153 Ų | 153 | 129.1 Ų | 129.1 | 72% | 0.715 | 71% | 0.708 | S | S | * | * | cis | -164.7 | 165 | -13.4 | -120.3 | 175.7 | 173.9 | 0 | 0 | 109.8 | ||||
| 1136 | E | 26.6 | Very low | 27.1 | Very low | 175 Ų | 175 | 128.7 Ų | 128.7 | 82% | 0.818 | 70% | 0.702 | S | S | * | * | trans | 46.8 | 175.6 | 149.6 | -65.9 | -150.8 | 152.9 | 0 | 0 | 122.3 | ||||
| 1137 | A | 27 | Very low | 27.4 | Very low | 69 Ų | 69 | 127.3 Ų | 127.3 | 57% | 0.57 | 70% | 0.699 | S | S | * | * | -163.4 | 147.9 | -55.3 | 0 | 0 | 0 | 0 | 0 | 110.1 | |||||
| 1138 | S | 26.3 | Very low | 27.4 | Very low | 115 Ų | 115 | 125.7 Ų | 125.7 | 80% | 0.804 | 70% | 0.697 | S | S | * | * | trans | 64.1 | 163 | 168 | 78.6 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 1139 | T | 28.7 | Very low | 27.8 | Very low | 129 Ų | 129 | 128 Ų | 128 | 79% | 0.791 | 71% | 0.707 | S | S | * | * | cis | -139.2 | 178.2 | 24 | 17.8 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 1140 | S | 27 | Very low | 27.8 | Very low | 85 Ų | 85 | 126.4 Ų | 126.4 | 59% | 0.594 | 70% | 0.702 | S | S | * | * | trans | -62.7 | -178.3 | 176.7 | 46 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 1141 | H | 30.4 | Very low | 28.1 | Very low | 160 Ų | 160 | 129.6 Ų | 129.6 | 74% | 0.741 | 71% | 0.709 | S | S | * | * | cis | -137.8 | 157.1 | 21.2 | -90.2 | -80.9 | 0 | 0 | 0 | 111.9 | ||||
| 1142 | S | 28.3 | Very low | 28.1 | Very low | 97 Ų | 97 | 130.1 Ų | 130.1 | 68% | 0.678 | 71% | 0.713 | S | S | * | * | 52.5 | 148.1 | 87.3 | 119 | 0 | 0 | 0 | 0 | 115.1 | |||||
| 1143 | S | 27.8 | Very low | 28.2 | Very low | 90 Ų | 90 | 133.4 Ų | 133.4 | 63% | 0.629 | 73% | 0.73 | S | S | * | * | cis | -154.5 | 174.2 | -9.7 | 39 | 0 | 0 | 0 | 0 | 106.4 | ||||
| 1144 | D | 30.1 | Very low | 27.9 | Very low | 134 Ų | 134 | 129.5 Ų | 129.5 | 72% | 0.717 | 73% | 0.73 | S | S | * | * | -177.5 | 174.3 | 58 | -126.2 | -65.8 | 0 | 0 | 0 | 113.5 | |||||
| 1145 | S | 28.9 | Very low | 28.5 | Very low | 96 Ų | 96 | 127.6 Ų | 127.6 | 67% | 0.671 | 73% | 0.73 | S | S | * | * | trans | -46.8 | -177.7 | 171.7 | 62.3 | 0 | 0 | 0 | 0 | 119.2 | ||||
| 1146 | E | 28.7 | Very low | 28.5 | Very low | 139 Ų | 139 | 127.3 Ų | 127.3 | 65% | 0.65 | 73% | 0.729 | S | S | * | * | cis | -158.2 | 175.8 | 6.8 | -144.9 | -163.8 | 172.9 | 0 | 0 | 113.1 | K1148 | E1146-K1148 IonicContact OE1-NZ 3.44Å; E1146-K1148 PolarHBondContact OE1-NZ 2.68Å | ||
| 1147 | N | 30.2 | Very low | 28.7 | Very low | 103 Ų | 103 | 127.9 Ų | 127.9 | 55% | 0.551 | 73% | 0.725 | S | S | * | * | trans | 71.2 | 121.2 | 157.3 | -64.7 | -41.2 | 0 | 0 | 0 | 119.9 | ||||
| 1148 | K | 27.4 | Very low | 28.7 | Very low | 157 Ų | 157 | 130.4 Ų | 130.4 | 68% | 0.683 | 73% | 0.727 | S | S | * | * | cis | 90.6 | 118.1 | 48.5 | -76.3 | -176.1 | -154.3 | 111.1 | 0 | 113.4 | E1146 | E1146-K1148 IonicContact OE1-NZ 3.44Å; E1146-K1148 PolarHBondContact OE1-NZ 2.68Å | ||
| 1149 | T | 32 | Very low | 28.7 | Very low | 148 Ų | 148 | 130.9 Ų | 130.9 | 91% | 0.908 | 72% | 0.721 | S | S | * | * | trans | -164.5 | 155.7 | 135.7 | 6.8 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 1150 | N | 27.2 | Very low | 28.7 | Very low | 148 Ų | 148 | 131.8 Ų | 131.8 | 79% | 0.791 | 72% | 0.716 | S | S | * | * | trans | -109.7 | 159.3 | -166.9 | -56.2 | -32.1 | 0 | 0 | 0 | 112.7 | ||||
| 1151 | K | 31.3 | Very low | 28.6 | Very low | 213 Ų | 213 | 134.7 Ų | 134.7 | 93% | 0.926 | 72% | 0.724 | S | S | * | * | -155.2 | 151.5 | 128.8 | -116.9 | 171 | -174.8 | 179.4 | 0 | 112.5 | |||||
| 1152 | S | 24.4 | Very low | 28.6 | Very low | 104 Ų | 104 | 132.3 Ų | 132.3 | 73% | 0.727 | 72% | 0.721 | S | S | * | * | trans | -150.3 | 139.6 | -167.2 | 51.9 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 1153 | T | 28.3 | Very low | 28.6 | Very low | 151 Ų | 151 | 136 Ų | 136 | 93% | 0.926 | 73% | 0.727 | S | S | * | * | trans | -159.1 | 152 | 156.7 | 8.2 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 1154 | S | 21.1 | Very low | 28.7 | Very low | 105 Ų | 105 | 136.1 Ų | 136.1 | 73% | 0.734 | 73% | 0.728 | S | S | * | * | trans | -154.3 | -176.4 | 175.1 | 53.1 | 0 | 0 | 0 | 0 | 106.4 | ||||
| 1155 | P | 40.6 | Very low | 28.7 | Very low | 108 Ų | 108 | 135.5 Ų | 135.5 | 70% | 0.701 | 73% | 0.725 | S | S | * | * | -126.5 | -143.9 | -55.8 | 36 | -18.9 | 0 | 0 | 0 | 110.2 | |||||
| 1156 | E | 25.7 | Very low | 28.6 | Very low | 148 Ų | 148 | 141.8 Ų | 141.8 | 69% | 0.692 | 73% | 0.734 | S | S | * | * | trans | 109.3 | 153.7 | 136.3 | -136.7 | 165.9 | -120.6 | 0 | 0 | 120.3 | ||||
| 1157 | Y | 30.4 | Very low | 29 | Very low | 186 Ų | 186 | 140.6 Ų | 140.6 | 73% | 0.729 | 74% | 0.738 | S | S | * | * | trans | 66.8 | 155 | 176.6 | -72.3 | -97.7 | 0 | 0 | 0 | 120.9 | ||||
| 1158 | I | 27.1 | Very low | 28.8 | Very low | 122 Ų | 122 | 139.9 Ų | 139.9 | 63% | 0.626 | 74% | 0.741 | S | S | * | * | -169.6 | 147.5 | -55.6 | -113.6 | 166.8 | 0 | 0 | 0 | 112 | |||||
| 1159 | N | 26.7 | Very low | 28.7 | Very low | 125 Ų | 125 | 138.9 Ų | 138.9 | 67% | 0.668 | 74% | 0.743 | S | S | * | * | trans | 68.5 | 144.3 | 153.8 | -85.3 | -4.9 | 0 | 0 | 0 | 126.3 | ||||
| 1160 | Q | 28.4 | Very low | 28.5 | Very low | 149 Ų | 149 | 141.3 Ų | 141.3 | 70% | 0.696 | 75% | 0.745 | S | S | * | * | trans | 76.9 | 112.3 | 139.9 | -71.8 | 169.1 | 9.1 | 0 | 0 | 119.5 | ||||
| 1161 | L | 25.4 | Very low | 28.4 | Very low | 145 Ų | 145 | 142 Ų | 142 | 76% | 0.759 | 75% | 0.745 | S | S | * | * | 91.5 | 142.6 | 96.4 | -73.6 | 172.9 | 0 | 0 | 0 | 110.6 | |||||
| 1162 | V | 30.6 | Very low | 28.2 | Very low | 111 Ų | 111 | 140.4 Ų | 140.4 | 67% | 0.673 | 74% | 0.741 | S | S | * | * | -161.8 | 137.9 | 61 | 153.2 | 0 | 0 | 0 | 0 | 110.1 | |||||
| 1163 | E | 29.3 | Very low | 28.1 | Very low | 173 Ų | 173 | 143.2 Ų | 143.2 | 81% | 0.808 | 74% | 0.742 | S | S | * | * | trans | 39 | 153.1 | 142.1 | -61.7 | 163.9 | 178.1 | 0 | 0 | 122.1 | ||||
| 1164 | S | 29.1 | Very low | 28 | Very low | 93 Ų | 93 | 143.9 Ų | 143.9 | 65% | 0.65 | 74% | 0.738 | S | S | * | * | cis | -163.3 | -159.6 | -14.9 | 59.7 | 0 | 0 | 0 | 0 | 107 | ||||
| 1165 | D | 29.5 | Very low | 28.2 | Very low | 122 Ų | 122 | 144.7 Ų | 144.7 | 65% | 0.652 | 74% | 0.739 | S | S | * | * | cis | -153.7 | 131.1 | -3 | -113 | -40.6 | 0 | 0 | 0 | 105.8 | ||||
| 1166 | R | 27.9 | Very low | 27.5 | Very low | 227 Ų | 227 | 150 Ų | 150 | 86% | 0.857 | 75% | 0.747 | S | S | * | * | 89.6 | 150.7 | 84.7 | -84.3 | -163 | 173.5 | -174.5 | -2.6 | 116.3 | |||||
| 1167 | P | 35.4 | Very low | 27.5 | Very low | 115 Ų | 115 | 149.3 Ų | 149.3 | 75% | 0.747 | 75% | 0.752 | S | S | * | * | trans | -143.1 | -152 | -135.5 | 44.7 | -23.4 | 0 | 0 | 0 | 114.9 | ||||
| 1168 | S | 26.3 | Very low | 27.2 | Very low | 87 Ų | 87 | 147.7 Ų | 147.7 | 61% | 0.608 | 76% | 0.756 | S | S | * | * | trans | 101.4 | 112 | 151.3 | -87.3 | 0 | 0 | 0 | 0 | 120.1 | ||||
| 1169 | D | 25.3 | Very low | 27.2 | Very low | 136 Ų | 136 | 150.7 Ų | 150.7 | 73% | 0.727 | 77% | 0.767 | S | S | * | * | 62.6 | 113.5 | 128.4 | -47 | -39.9 | 0 | 0 | 0 | 120.6 | |||||
| 1170 | Q | 29.1 | Very low | 27 | Very low | 200 Ų | 200 | 150 Ų | 150 | 94% | 0.935 | 77% | 0.767 | S | S | * | * | -157.9 | 160.1 | 101.9 | -106.5 | 166.2 | 43.7 | 0 | 0 | 114.7 | |||||
| 1171 | M | 23.8 | Very low | 26.9 | Very low | 162 Ų | 162 | 150.6 Ų | 150.6 | 80% | 0.798 | 77% | 0.77 | S | S | * | * | trans | -88.5 | 141.8 | -163.4 | -164 | 156.8 | 161 | 0 | 0 | 111.3 | ||||
| 1172 | E | 27.1 | Very low | 26.8 | Very low | 179 Ų | 179 | 149.7 Ų | 149.7 | 84% | 0.836 | 77% | 0.766 | S | S | * | * | 173.6 | 160.7 | 115.2 | -95 | -174 | -172 | 0 | 0 | 116.7 | |||||
| 1173 | H | 23.6 | Very low | 26.7 | Very low | 163 Ų | 163 | 151.9 Ų | 151.9 | 76% | 0.755 | 77% | 0.774 | S | S | * | * | trans | -58.7 | 154.4 | 179 | -72.3 | -111.6 | 0 | 0 | 0 | 115.7 | ||||
| 1174 | I | 26.5 | Very low | 26.5 | Very low | 166 Ų | 166 | 153.6 Ų | 153.6 | 85% | 0.851 | 77% | 0.774 | S | S | * | * | -176.7 | 158.8 | 109.3 | -96.3 | 163.4 | 0 | 0 | 0 | 114.7 | |||||
| 1175 | T | 24.4 | Very low | 26.6 | Very low | 121 Ų | 121 | 157.6 Ų | 157.6 | 74% | 0.742 | 79% | 0.786 | S | S | * | * | trans | -75.4 | 171.5 | -169.4 | -23.8 | 0 | 0 | 0 | 0 | 116.3 | ||||
| 1176 | Y | 25.7 | Very low | 26.5 | Very low | 221 Ų | 221 | 157.3 Ų | 157.3 | 87% | 0.867 | 79% | 0.794 | S | S | * | * | trans | -45.1 | 149.2 | 162.3 | -75.4 | -103.7 | 0 | 0 | 0 | 114.8 | ||||
| 1177 | V | 26.5 | Very low | 26.4 | Very low | 132 Ų | 132 | 150.1 Ų | 150.1 | 80% | 0.8 | 79% | 0.791 | S | S | * | * | -170.5 | 148 | 120.6 | 138 | 0 | 0 | 0 | 0 | 110.9 | |||||
| 1178 | N | 23.9 | Very low | 26.1 | Very low | 153 Ų | 153 | 149.3 Ų | 149.3 | 82% | 0.818 | 79% | 0.794 | S | S | * | * | trans | -93.6 | 137.8 | 165.7 | -74.4 | -51.1 | 0 | 0 | 0 | 109.6 | ||||
| 1179 | H | 26.5 | Very low | 26.3 | Very low | 185 Ų | 185 | 151.5 Ų | 151.5 | 86% | 0.856 | 80% | 0.803 | S | S | * | * | trans | -154.9 | 159.4 | 145.4 | -113.1 | -74.9 | 0 | 0 | 0 | 112.8 | ||||
| 1180 | T | 23.6 | Very low | 26.4 | Very low | 109 Ų | 109 | 150.1 Ų | 150.1 | 67% | 0.669 | 80% | 0.804 | S | S | * | * | trans | -115.3 | 140.8 | -179.6 | 50.8 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 1181 | Q | 24.5 | Very low | 26.8 | Very low | 162 Ų | 162 | 145.6 Ų | 145.6 | 76% | 0.757 | 79% | 0.792 | S | S | * | * | 175.9 | 149.2 | 112.1 | -96.2 | 178.1 | -103.3 | 0 | 0 | 113 | |||||
| 1182 | D | 23.8 | Very low | 27.2 | Very low | 127 Ų | 127 | 145.2 Ų | 145.2 | 68% | 0.679 | 79% | 0.793 | S | S | * | * | trans | 28.6 | 131.6 | 139.1 | -41.2 | -29.4 | 0 | 0 | 0 | 120.8 | ||||
| 1183 | D | 28.7 | Very low | 27.5 | Very low | 156 Ų | 156 | 141.6 Ų | 141.6 | 83% | 0.834 | 79% | 0.788 | S | S | * | * | -154.6 | 170.1 | 110 | -136.5 | -28.6 | 0 | 0 | 0 | 113.6 | |||||
| 1184 | Y | 25.5 | Very low | 27.8 | Very low | 210 Ų | 210 | 142.2 Ų | 142.2 | 82% | 0.824 | 79% | 0.791 | S | S | * | * | trans | -86.2 | 158.4 | -179.4 | -81.7 | -113.4 | 0 | 0 | 0 | 113.5 | ||||
| 1185 | I | 30.9 | Very low | 28.1 | Very low | 176 Ų | 176 | 142.4 Ų | 142.4 | 90% | 0.903 | 79% | 0.793 | S | S | * | * | -173.3 | 159.6 | 125 | -98.5 | 157.6 | 0 | 0 | 0 | 110.8 | |||||
| 1186 | S | 26.8 | Very low | 28.3 | Very low | 116 Ų | 116 | 140.5 Ų | 140.5 | 81% | 0.811 | 80% | 0.797 | S | S | * | * | trans | -118.6 | 147.9 | -172.1 | 54 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 1187 | G | 25.8 | Very low | 28.3 | Very low | 77 Ų | 77 | 135.7 Ų | 135.7 | 79% | 0.794 | 80% | 0.796 | S | S | * | * | trans | 132.8 | 149.3 | 143.9 | 0 | 0 | 0 | 0 | 0 | 119.5 | ||||
| 1188 | A | 29.1 | Very low | 28.5 | Very low | 97 Ų | 97 | 135.3 Ų | 135.3 | 80% | 0.802 | 80% | 0.796 | S | S | * | * | trans | 82.2 | 107.1 | 152.2 | 0 | 0 | 0 | 0 | 0 | 122.7 | ||||
| 1189 | V | 30.4 | Very low | 28.7 | Very low | 133 Ų | 133 | 137.6 Ų | 137.6 | 81% | 0.806 | 80% | 0.799 | S | S | * | * | trans | 69.8 | 96.7 | 130.6 | -171.7 | 0 | 0 | 0 | 0 | 120.7 | ||||
| 1190 | S | 28.5 | Very low | 28.6 | Very low | 107 Ų | 107 | 136.7 Ų | 136.7 | 75% | 0.748 | 80% | 0.799 | S | S | * | * | 35.5 | 158.8 | 112.7 | -58.9 | 0 | 0 | 0 | 0 | 123.6 | |||||
| 1191 | P | 38.1 | Very low | 28.9 | Very low | 105 Ų | 105 | 136.7 Ų | 136.7 | 68% | 0.682 | 80% | 0.801 | S | S | * | * | cis | -138 | -164.2 | -21 | 36.9 | -15.7 | 0 | 0 | 0 | 114.7 | ||||
| 1192 | N | 30.8 | Very low | 29 | Very low | 155 Ų | 155 | 135.7 Ų | 135.7 | 83% | 0.829 | 81% | 0.805 | S | S | * | * | trans | 81.4 | 139 | 171.1 | -55.4 | -11.9 | 0 | 0 | 0 | 115.9 | ||||
| 1193 | S | 33.1 | Very low | 29.2 | Very low | 103 Ų | 103 | 138.2 Ų | 138.2 | 72% | 0.72 | 81% | 0.813 | S | S | * | * | cis | -148.3 | 135.6 | -0 | 52.6 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 1194 | E | 30.4 | Very low | 29.2 | Very low | 175 Ų | 175 | 140.3 Ų | 140.3 | 82% | 0.818 | 82% | 0.815 | S | S | * | * | trans | 61.5 | 134.3 | 142.2 | -63.4 | -167.5 | 148.2 | 0 | 0 | 124.7 | ||||
| 1195 | L | 32.2 | Very low | 29.3 | Very low | 170 Ų | 170 | 142.5 Ų | 142.5 | 89% | 0.89 | 82% | 0.821 | S | S | * | * | trans | 69.7 | 140 | 150.5 | -65.4 | 163.1 | 0 | 0 | 0 | 120.9 | ||||
| 1196 | G | 29.7 | Very low | 29.1 | Very low | 81 Ų | 81 | 145.5 Ų | 145.5 | 84% | 0.835 | 82% | 0.821 | S | S | * | * | trans | 115.7 | 23.4 | 158.9 | 0 | 0 | 0 | 0 | 0 | 119.8 | ||||
| 1197 | S | 24.7 | Very low | 28.9 | Very low | 121 Ų | 121 | 151.7 Ų | 151.7 | 85% | 0.846 | 83% | 0.827 | S | S | * | * | trans | -105.3 | 162 | 173.2 | -79.6 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 1198 | P | 31.8 | Very low | 29 | Very low | 124 Ų | 124 | 156.1 Ų | 156.1 | 81% | 0.805 | 83% | 0.832 | S | S | * | * | cis | -130.7 | 168.7 | 17.1 | 40.9 | -25.1 | 0 | 0 | 0 | 117.1 | ||||
| 1199 | K | 27.4 | Very low | 28.7 | Very low | 200 Ų | 200 | 159.9 Ų | 159.9 | 87% | 0.87 | 84% | 0.838 | S | S | * | * | P | Polyproline II helix | trans | -87.8 | 153.4 | 171.5 | -66.9 | 171.1 | -179.3 | 171 | 0 | 111.8 | P1201 | K1199-P1201 WeakPolarHBondContact O-CD 3.26Š|
| 1200 | I | 25 | Very low | 28.7 | Very low | 166 Ų | 166 | 158.4 Ų | 158.4 | 85% | 0.851 | 83% | 0.833 | S | S | * | * | P | Polyproline II helix | trans | -60.6 | 124.4 | 177.8 | -60.1 | 160.6 | 0 | 0 | 0 | 111.5 | ||
| 1201 | P | 29.1 | Very low | 28.5 | Very low | 110 Ų | 110 | 157.6 Ų | 157.6 | 71% | 0.714 | 83% | 0.827 | S | S | * | * | P | Polyproline II helix | trans | -91.1 | 136.4 | 170.1 | 34 | -30.9 | 0 | 0 | 0 | 112.1 | K1199 Q1203 | K1199-P1201 WeakPolarHBondContact O-CD 3.26Å; P1201-Q1203 PolarHBondContact O-N 3.01Å |
| 1202 | V | 26.8 | Very low | 28.1 | Very low | 141 Ų | 141 | 159.3 Ų | 159.3 | 86% | 0.855 | 83% | 0.831 | S | S | * | * | trans | -71.4 | 113.8 | -177.1 | 178 | 0 | 0 | 0 | 0 | 111.5 | K1204 | V1202-K1204 PolarHBondContact O-N 3.4Š| ||
| 1203 | Q | 28.6 | Very low | 28.2 | Very low | 180 Ų | 180 | 159.3 Ų | 159.3 | 84% | 0.841 | 83% | 0.831 | S | S | * | * | trans | -71.7 | 124.2 | 173.3 | -73 | -170.8 | -7.5 | 0 | 0 | 112.3 | P1201 | P1201-Q1203 PolarHBondContact O-N 3.01Š| ||
| 1204 | K | 27.8 | Very low | 28.1 | Very low | 199 Ų | 199 | 162.1 Ų | 162.1 | 87% | 0.865 | 83% | 0.833 | S | S | * | * | trans | -82 | 109.1 | 160.9 | -70.5 | 175 | -179.9 | 170.2 | 0 | 108.7 | V1202 R1206 | V1202-K1204 PolarHBondContact O-N 3.4Å; K1204-R1206 PolarHBondContact O-N 2.87Å | ||
| 1205 | R | 28.2 | Very low | 28.2 | Very low | 256 Ų | 256 | 160.3 Ų | 160.3 | 97% | 0.966 | 83% | 0.829 | S | S | * | * | trans | -57.2 | 121 | 170.5 | -83.4 | -174.9 | 170.4 | -178.6 | -3.6 | 110.2 | ||||
| 1206 | R | 26.4 | Very low | 28.2 | Very low | 239 Ų | 239 | 161.3 Ų | 161.3 | 90% | 0.902 | 83% | 0.829 | S | S | * | * | trans | -119.9 | 137.1 | 166.3 | -162.4 | 177.5 | -168.1 | -178.3 | 2.1 | 106.9 | K1204 | K1204-R1206 PolarHBondContact O-N 2.87Š| ||
| 1207 | R | 23.7 | Very low | 28.3 | Very low | 246 Ų | 246 | 165.1 Ų | 165.1 | 93% | 0.928 | 83% | 0.83 | S | S | * | * | trans | -63 | 142.4 | 177.4 | -69.5 | 175.8 | 172.8 | 157.7 | -5.4 | 110.1 | ||||
| 1208 | L | 27.8 | Very low | 28.7 | Very low | 170 Ų | 170 | 163 Ų | 163 | 89% | 0.89 | 83% | 0.827 | S | S | * | * | trans | -128.6 | 160.8 | 164.2 | -81 | 173.1 | 0 | 0 | 0 | 109.5 | ||||
| 1209 | L | 22.9 | Very low | 28.6 | Very low | 177 Ų | 177 | 165.2 Ų | 165.2 | 93% | 0.927 | 83% | 0.826 | S | S | * | * | trans | -133.8 | 115.8 | 179.4 | -81.2 | 161.1 | 0 | 0 | 0 | 107.9 | ||||
| 1210 | S | 28.6 | Very low | 28.8 | Very low | 102 Ų | 102 | 163.3 Ų | 163.3 | 71% | 0.713 | 83% | 0.826 | S | S | * | * | trans | -174.8 | 123.5 | 163.8 | 49.7 | 0 | 0 | 0 | 0 | 103.8 | ||||
| 1211 | S | 25 | Very low | 29.1 | Very low | 90 Ų | 90 | 159.4 Ų | 159.4 | 63% | 0.629 | 81% | 0.81 | S | S | * | * | cis | 73 | 126.7 | 44.7 | 90.1 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 1212 | D | 29.3 | Very low | 29.2 | Very low | 140 Ų | 140 | 164.8 Ų | 164.8 | 75% | 0.749 | 82% | 0.817 | S | S | * | * | trans | 82.9 | 154.2 | 156.7 | -37.9 | -47.1 | 0 | 0 | 0 | 117.9 | ||||
| 1213 | D | 33 | Very low | 29.4 | Very low | 156 Ų | 156 | 165.3 Ų | 165.3 | 83% | 0.834 | 81% | 0.81 | S | S | * | * | trans | 67.5 | 119.8 | -162 | -54 | -12.7 | 0 | 0 | 0 | 114.9 | ||||
| 1214 | E | 31.6 | Very low | 29.6 | Very low | 162 Ų | 162 | 161.6 Ų | 161.6 | 76% | 0.757 | 80% | 0.804 | S | S | * | * | cis | 140.7 | 132.9 | -8.3 | -95.3 | -156.5 | -175.2 | 0 | 0 | 107.8 | ||||
| 1215 | N | 32.2 | Very low | 29.6 | Very low | 137 Ų | 137 | 160.7 Ų | 160.7 | 73% | 0.733 | 80% | 0.803 | S | S | * | * | trans | 67.4 | 145.5 | 169.5 | -45.6 | -49.7 | 0 | 0 | 0 | 116.3 | ||||
| 1216 | E | 33 | Very low | 29.7 | Very low | 191 Ų | 191 | 154.3 Ų | 154.3 | 89% | 0.893 | 80% | 0.798 | S | S | * | * | cis | -128 | 173.4 | 14.7 | -68.4 | -178.2 | 129.9 | 0 | 0 | 113.6 | ||||
| 1217 | D | 30.6 | Very low | 29.6 | Very low | 160 Ų | 160 | 151.9 Ų | 151.9 | 86% | 0.856 | 80% | 0.796 | S | S | * | * | trans | -76.9 | 155.6 | -172.5 | -64.3 | -75.6 | 0 | 0 | 0 | 116.3 | ||||
| 1218 | G | 33.1 | Very low | 29.9 | Very low | 77 Ų | 77 | 149 Ų | 149 | 79% | 0.794 | 80% | 0.796 | S | S | * | * | trans | -164.2 | 84.8 | 172 | 0 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 1219 | H | 30.4 | Very low | 29.9 | Very low | 170 Ų | 170 | 147.1 Ų | 147.1 | 79% | 0.787 | 78% | 0.782 | S | S | * | * | trans | -61.1 | 133 | 174.6 | -88.2 | -93.1 | 0 | 0 | 0 | 111.7 | ||||
| 1220 | D | 31.7 | Very low | 30.1 | Very low | 161 Ų | 161 | 146.6 Ų | 146.6 | 86% | 0.861 | 78% | 0.779 | S | S | * | * | -152.6 | 164.6 | 115.4 | -130.3 | -30.9 | 0 | 0 | 0 | 112.6 | |||||
| 1221 | T | 30.4 | Very low | 30.2 | Very low | 83 Ų | 83 | 151 Ų | 151 | 51% | 0.509 | 78% | 0.78 | S | S | . | * | trans | -128.3 | 138.5 | -159.2 | -46 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 1222 | Y | 32.1 | Very low | 30.2 | Very low | 223 Ų | 223 | 154.8 Ų | 154.8 | 88% | 0.875 | 79% | 0.787 | S | S | * | * | trans | -165.3 | 154.8 | 139.4 | -100.7 | -63.7 | 0 | 0 | 0 | 113.2 | ||||
| 1223 | H | 31.4 | Very low | 30.4 | Very low | 153 Ų | 153 | 153.9 Ų | 153.9 | 71% | 0.708 | 79% | 0.789 | S | S | * | * | trans | -73.3 | 171 | -174.2 | -59.3 | -104.1 | 0 | 0 | 0 | 112.7 | ||||
| 1224 | S | 31.7 | Very low | 30.1 | Very low | 101 Ų | 101 | 155 Ų | 155 | 71% | 0.706 | 79% | 0.786 | S | S | * | * | cis | -153.7 | 144.8 | 25.5 | -50.5 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 1225 | E | 28.3 | Very low | 30.1 | Very low | 180 Ų | 180 | 153.6 Ų | 153.6 | 84% | 0.841 | 78% | 0.784 | S | S | * | * | trans | 35.7 | 117.4 | 135.4 | -57 | -177 | 157.8 | 0 | 0 | 121.6 | ||||
| 1226 | S | 29.9 | Very low | 30.1 | Very low | 123 Ų | 123 | 153.5 Ų | 153.5 | 86% | 0.86 | 78% | 0.783 | S | S | * | * | -157.9 | 134.4 | 104.1 | 47.8 | 0 | 0 | 0 | 0 | 111.6 | |||||
| 1227 | Q | 25 | Very low | 30.1 | Very low | 187 Ų | 187 | 151.6 Ų | 151.6 | 87% | 0.874 | 78% | 0.775 | S | S | * | * | trans | -115 | 139.6 | 172.7 | -66.3 | -177.3 | -2.2 | 0 | 0 | 109.5 | ||||
| 1228 | M | 30.2 | Very low | 30.2 | Very low | 185 Ų | 185 | 151.4 Ų | 151.4 | 91% | 0.911 | 77% | 0.768 | S | S | * | * | trans | -147.9 | 105.2 | 153.7 | -102.4 | -169.7 | -179.7 | 0 | 0 | 112.2 | ||||
| 1229 | E | 28.6 | Very low | 30.1 | Very low | 131 Ų | 131 | 154 Ų | 154 | 61% | 0.612 | 77% | 0.768 | S | S | * | * | trans | 31.4 | 104.8 | 141.2 | -57.9 | -171.8 | 171.3 | 0 | 0 | 119.8 | R1231 | E1229-R1231 HydrophobicContact CB-CG 4.3Å; E1229-R1231 IonicContact OE1-NH2 3.21Å; E1229-R1231 IonicContact OE2-CZ 2.68Å; E1229-R1231 IonicContact OE2-NE 2.66Å; E1229-R1231 PolarHBondContact OE2-NE 3.13Å; E1229-R1231 IonicContact OE2-NH2 2.96Å; E1229-R1231 PolarHBondContact OE2-NH2 2.59Å | ||
| 1230 | I | 27.1 | Very low | 30.2 | Very low | 166 Ų | 166 | 149.7 Ų | 149.7 | 85% | 0.851 | 77% | 0.77 | S | S | * | * | trans | -84.8 | 105.2 | 147.9 | -63.1 | 176.5 | 0 | 0 | 0 | 107.5 | H1232 | I1230-H1232 PolarHBondContact O-N 3.37Š| ||
| 1231 | R | 29.3 | Very low | 30.1 | Very low | 195 Ų | 195 | 145.5 Ų | 145.5 | 74% | 0.736 | 77% | 0.765 | S | S | * | * | trans | -81.8 | 110 | 176 | -68.7 | -171.2 | 179.8 | -155.7 | -6.8 | 111.6 | E1229 | E1229-R1231 HydrophobicContact CB-CG 4.3Å; E1229-R1231 IonicContact OE1-NH2 3.21Å; E1229-R1231 IonicContact OE2-CZ 2.68Å; E1229-R1231 IonicContact OE2-NE 2.66Å; E1229-R1231 PolarHBondContact OE2-NE 3.13Å; E1229-R1231 IonicContact OE2-NH2 2.96Å; E1229-R1231 PolarHBondContact OE2-NH2 2.59Å | ||
| 1232 | H | 24.9 | Very low | 30 | Very low | 170 Ų | 170 | 147.9 Ų | 147.9 | 79% | 0.787 | 78% | 0.779 | S | S | * | * | trans | -74.1 | 145.2 | 152 | -82.2 | -69.1 | 0 | 0 | 0 | 110.2 | I1230 | I1230-H1232 PolarHBondContact O-N 3.37Š| ||
| 1233 | P | 34.7 | Very low | 29.7 | Very low | 120 Ų | 120 | 145 Ų | 145 | 78% | 0.779 | 77% | 0.772 | S | S | * | * | trans | -116.4 | 139.8 | 139.5 | 34 | -28.5 | 0 | 0 | 0 | 110.9 | ||||
| 1234 | K | 26.2 | Very low | 29.4 | Very low | 180 Ų | 180 | 148.2 Ų | 148.2 | 78% | 0.783 | 78% | 0.777 | S | S | * | * | trans | -136.5 | 172.3 | 162 | -89.4 | -168.1 | 174.1 | -175.6 | 0 | 107.2 | ||||
| 1235 | N | 32.3 | Very low | 29 | Very low | 133 Ų | 133 | 154.3 Ų | 154.3 | 71% | 0.711 | 79% | 0.785 | S | S | * | * | trans | 74.4 | 136.5 | 176.7 | -59.7 | 62.3 | 0 | 0 | 0 | 114.3 | ||||
| 1236 | D | 31 | Very low | 28.8 | Very low | 134 Ų | 134 | 151.9 Ų | 151.9 | 72% | 0.717 | 78% | 0.782 | S | S | * | * | cis | -145.3 | 176.6 | -25.2 | -81.8 | -46.3 | 0 | 0 | 0 | 105.2 | ||||
| 1237 | E | 32.4 | Very low | 28.6 | Very low | 152 Ų | 152 | 155 Ų | 155 | 71% | 0.71 | 78% | 0.78 | S | S | * | * | cis | -169.2 | 156.1 | 43.2 | -94.4 | -158.8 | 122.1 | 0 | 0 | 111.1 | ||||
| 1238 | H | 33 | Very low | 28.7 | Very low | 155 Ų | 155 | 154.1 Ų | 154.1 | 72% | 0.718 | 78% | 0.78 | S | S | * | * | trans | 55.7 | 148.2 | 150.3 | -70.1 | 82 | 0 | 0 | 0 | 121.4 | ||||
| 1239 | V | 32.6 | Very low | 28.5 | Very low | 131 Ų | 131 | 152.2 Ų | 152.2 | 79% | 0.794 | 77% | 0.773 | S | S | * | * | cis | -159.6 | 142.8 | -22.3 | 118.6 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 1240 | G | 31.9 | Very low | 28.6 | Very low | 81 Ų | 81 | 151.2 Ų | 151.2 | 84% | 0.835 | 78% | 0.78 | S | S | * | * | trans | 72.2 | 163.4 | 166.4 | 0 | 0 | 0 | 0 | 0 | 117.9 | ||||
| 1241 | G | 29.7 | Very low | 28.7 | Very low | 73 Ų | 73 | 147.8 Ų | 147.8 | 75% | 0.753 | 77% | 0.771 | S | S | * | * | cis | 175 | 106.1 | -9.2 | 0 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 1242 | V | 28.7 | Very low | 28.9 | Very low | 132 Ų | 132 | 145.1 Ų | 145.1 | 80% | 0.8 | 77% | 0.771 | S | S | * | * | trans | 62.7 | 104.2 | 144.6 | 178.1 | 0 | 0 | 0 | 0 | 121.2 | ||||
| 1243 | F | 25.7 | Very low | 29.2 | Very low | 164 Ų | 164 | 142.2 Ų | 142.2 | 72% | 0.719 | 77% | 0.77 | S | S | * | * | trans | 72.6 | 123.3 | 138.2 | -79.6 | -126.4 | 0 | 0 | 0 | 124.1 | ||||
| 1244 | R | 25.1 | Very low | 29.3 | Very low | 219 Ų | 219 | 149.3 Ų | 149.3 | 83% | 0.826 | 79% | 0.793 | S | S | * | * | trans | 80.1 | 117.6 | 130.4 | -79.3 | -174.9 | -178.9 | 168.5 | -0.1 | 123.5 | ||||
| 1245 | R | 23.3 | Very low | 29.4 | Very low | 230 Ų | 230 | 147.8 Ų | 147.8 | 87% | 0.868 | 79% | 0.793 | S | S | * | * | 92.4 | 156.3 | 122.5 | -157.2 | -168.3 | -162.2 | -174.2 | 5.8 | 118.8 | |||||
| 1246 | V | 23 | Very low | 29.2 | Very low | 129 Ų | 129 | 148.5 Ų | 148.5 | 78% | 0.782 | 80% | 0.797 | S | S | * | * | trans | 99 | 138.4 | 160.2 | -166.7 | 0 | 0 | 0 | 0 | 116.6 | ||||
| 1247 | K | 26.2 | Very low | 29.2 | Very low | 187 Ų | 187 | 149.3 Ų | 149.3 | 81% | 0.813 | 80% | 0.802 | S | S | * | * | trans | -66.1 | 154.9 | 172.3 | -65.2 | 173.3 | 168 | -175.4 | 0 | 111 | ||||
| 1248 | I | 27.2 | Very low | 29 | Very low | 170 Ų | 170 | 149.2 Ų | 149.2 | 87% | 0.872 | 81% | 0.807 | S | S | * | * | trans | -130.3 | 144.2 | 147.1 | -65.2 | -175.8 | 0 | 0 | 0 | 108.4 | ||||
| 1249 | L | 26.7 | Very low | 28.7 | Very low | 145 Ų | 145 | 148.8 Ų | 148.8 | 76% | 0.759 | 81% | 0.813 | S | S | * | * | trans | -107.9 | 154.6 | 166 | -89.5 | 163.8 | 0 | 0 | 0 | 108.3 | ||||
| 1250 | S | 29.2 | Very low | 28.5 | Very low | 109 Ų | 109 | 150 Ų | 150 | 76% | 0.762 | 81% | 0.814 | S | S | * | * | trans | -29 | 138.7 | 173.3 | 53.7 | 0 | 0 | 0 | 0 | 117.3 | ||||
| 1251 | S | 28.8 | Very low | 28.2 | Very low | 95 Ų | 95 | 154.9 Ų | 154.9 | 66% | 0.664 | 81% | 0.813 | S | S | * | * | -164.8 | 164.4 | 100.6 | 68 | 0 | 0 | 0 | 0 | 113.6 | |||||
| 1252 | D | 33.5 | Very low | 28.1 | Very low | 138 Ų | 138 | 161.2 Ų | 161.2 | 74% | 0.738 | 82% | 0.817 | S | S | * | * | trans | 69.6 | 121 | 151.6 | -47.2 | -39.4 | 0 | 0 | 0 | 123.4 | ||||
| 1253 | S | 32.7 | Very low | 28 | Very low | 110 Ų | 110 | 163.7 Ų | 163.7 | 77% | 0.769 | 82% | 0.819 | S | S | * | * | trans | 33.9 | 129 | 147.8 | 58.4 | 0 | 0 | 0 | 0 | 120.4 | ||||
| 1254 | E | 35.3 | Very low | 28.3 | Very low | 268 Ų | 268 | 163.6 Ų | 163.6 | 100% | 1.252 | 83% | 0.828 | S | S | * | * | cis | -130.8 | 0 | 42.1 | -69.1 | -177.9 | 135.8 | 0 | 0 | 115.3 |
Retrieved 1,254 of 1,254 residues in 1432.2 ms
(Link to these results)