| 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 | 39.6 | Very low | 63 | Low | 152 Ų | 152 | 93.6 Ų | 93.6 | 75% | 0.749 | 53% | 0.534 | S | S | * | . | 0 | -76.1 | 0 | -63.4 | -45.4 | 105.7 | 0 | 0 | 110.4 | S3 D14 | M1-S3 PolarHBondContact O-N 3Å; M1-D14 HydrophobicContact CE-CB 3.48Å; M1-D14 VanDerWaalsContact CE-CB 3.48Å; M1-D14 WeakPolarHBondContact CE-OD2 3.17Å | |||
| 2 | L | 34 | Very low | 65 | Low | 175 Ų | 175 | 85.8 Ų | 85.8 | 92% | 0.916 | 49% | 0.49 | S | S | * | . | trans | -73.6 | 33.8 | 174.8 | -66.6 | 175.7 | 0 | 0 | 0 | 114.4 | ||||
| 3 | S | 36.9 | Very low | 66.9 | Low | 81 Ų | 81 | 86 Ų | 86 | 57% | 0.566 | 48% | 0.481 | S | S | * | . | S | Bend | trans | -140.4 | 123.8 | 176.3 | 55.4 | 0 | 0 | 0 | 0 | 105.1 | M1 | M1-S3 PolarHBondContact O-N 3Š|
| 4 | E | 44.4 | Very low | 68.4 | Low | 188 Ų | 188 | 84.1 Ų | 84.1 | 88% | 0.879 | 47% | 0.47 | S | S | * | . | trans | -53.4 | 130.5 | 177.5 | -68.7 | -177.5 | 139.3 | 0 | 0 | 109.4 | A6 | E4-A6 PolarHBondContact O-N 3.14Š| ||
| 5 | P | 55.3 | Low | 69.9 | Low | 58 Ų | 58 | 79.2 Ų | 79.2 | 38% | 0.377 | 44% | 0.442 | S | S | . | . | trans | -66.9 | 123.4 | -174.1 | 26.7 | -34 | 0 | 0 | 0 | 109.4 | S7 A10 F11 | P5-S7 PolarHBondContact O-N 2.91Å; P5-A10 HydrophobicContact CB-CB 4.41Å; P5-F11 HydrophobicContact CB-CB 3.78Å; P5-F11 HydrophobicContact CB-CD2 4.38Å; P5-F11 HydrophobicContact CB-CG 4.48Å; P5-F11 HydrophobicContact CG-CB 3.64Å; P5-F11 HydrophobicContact CG-CD2 3.79Å; P5-F11 HydrophobicContact CG-CG 3.93Å | ||
| 6 | A | 63 | Low | 71.2 | Confident | 108 Ų | 108 | 74.3 Ų | 74.3 | 89% | 0.893 | 42% | 0.415 | S | S | * | . | S | Bend | trans | -63.4 | -7.1 | -172.6 | 0 | 0 | 0 | 0 | 0 | 115 | E4 | E4-A6 PolarHBondContact O-N 3.14Š|
| 7 | S | 82.5 | Confident | 72.4 | Confident | 49 Ų | 49 | 74.4 Ų | 74.4 | 34% | 0.343 | 41% | 0.414 | S | S | . | . | S | Bend | trans | -157.8 | 160.6 | 166.4 | 68.9 | 0 | 0 | 0 | 0 | 111.2 | P5 Y9 A10 F11 | P5-S7 PolarHBondContact O-N 2.91Å; S7-Y9 PolarHBondContact O-N 2.97Å; S7-A10 WeakPolarHBondContact O-CB 3.26Å; S7-A10 PolarHBondContact O-N 3.01Å; S7-A10 VanDerWaalsContact O-N 3.08Å; S7-A10 PolarHBondContact OG-N 2.88Å; S7-A10 VanDerWaalsContact OG-N 3.16Å; S7-F11 PolarHBondContact O-N 2.98Å; S7-F11 VanDerWaalsContact O-N 3.11Å |
| 8 | P | 78.7 | Confident | 73.3 | Confident | 50 Ų | 50 | 73.9 Ų | 73.9 | 33% | 0.325 | 41% | 0.41 | S | S | . | . | H | α-helix | trans | -56.4 | -33.6 | 170.8 | -25.5 | 35 | 0 | 0 | 0 | 112.9 | F11 C12 A69 T73 I77 | P8-F11 PolarHBondContact O-N 3.02Å; P8-C12 WeakPolarHBondContact O-CB 3.32Å; P8-C12 PolarHBondContact O-N 3.23Å; P8-C12 PolarHBondContact O-SG 3.05Å; P8-C12 VanDerWaalsContact O-SG 3.38Å; P8-A69 HydrophobicContact CB-CB 4.06Å; P8-A69 HydrophobicContact CG-CB 4.3Å; P8-T73 HydrophobicContact CB-CG2 4.21Å; P8-T73 HydrophobicContact CG-CG2 4.47Å; P8-I77 HydrophobicContact CB-CD1 4.19Å |
| 9 | Y | 85.5 | Confident | 74.3 | Confident | 67 Ų | 67 | 70 Ų | 70 | 26% | 0.263 | 39% | 0.389 | S | S | . | . | H | α-helix | trans | -65.3 | -40.7 | 175.2 | 174.5 | -86.5 | 0 | 0 | 0 | 112.3 | S7 K13 I77 E80 Y81 | S7-Y9 PolarHBondContact O-N 2.97Å; Y9-K13 HydrophobicContact CE1-CD 4.27Å; Y9-K13 VanDerWaalsContact O-CB 3.31Å; Y9-K13 WeakPolarHBondContact O-CB 3.45Å; Y9-K13 PolarHBondContact O-N 2.7Å; Y9-I77 HydrophobicContact CD2-CG1 3.8Å; Y9-I77 HydrophobicContact CG-CG1 4.31Å; Y9-E80 PolarHBondContact OH-OE2 3.19Å; Y9-Y81 AromaticContact CE2-CE2 3.87Å; Y9-Y81 HydrophobicContact CE2-CE2 3.87Å |
| 10 | A | 86 | Confident | 75.2 | Confident | 31 Ų | 31 | 68 Ų | 68 | 26% | 0.256 | 38% | 0.377 | S | S | . | . | H | α-helix | trans | -62.3 | -43.5 | 173.5 | 0 | 0 | 0 | 0 | 0 | 111.3 | P5 S7 K13 D14 | P5-A10 HydrophobicContact CB-CB 4.41Å; S7-A10 WeakPolarHBondContact O-CB 3.26Å; S7-A10 PolarHBondContact O-N 3.01Å; S7-A10 VanDerWaalsContact O-N 3.08Å; S7-A10 PolarHBondContact OG-N 2.88Å; S7-A10 VanDerWaalsContact OG-N 3.16Å; A10-K13 PolarHBondContact O-N 3.42Å; A10-D14 WeakPolarHBondContact O-CB 3.29Å; A10-D14 PolarHBondContact O-N 3.41Å |
| 11 | F | 87.1 | Confident | 75.8 | Confident | 71 Ų | 71 | 67.8 Ų | 67.8 | 31% | 0.311 | 38% | 0.377 | S | S | . | . | H | α-helix | trans | -61.6 | -48.4 | 177.1 | -172.2 | -128.2 | 0 | 0 | 0 | 112.7 | P5 S7 P8 K13 D14 L15 A65 | P5-F11 HydrophobicContact CB-CB 3.78Å; P5-F11 HydrophobicContact CB-CD2 4.38Å; P5-F11 HydrophobicContact CB-CG 4.48Å; P5-F11 HydrophobicContact CG-CB 3.64Å; P5-F11 HydrophobicContact CG-CD2 3.79Å; P5-F11 HydrophobicContact CG-CG 3.93Å; S7-F11 PolarHBondContact O-N 2.98Å; S7-F11 VanDerWaalsContact O-N 3.11Å; P8-F11 PolarHBondContact O-N 3.02Å; F11-K13 VanDerWaalsContact C-N 3.3Å; F11-K13 PolarHBondContact O-N 3.46Å; F11-D14 PolarHBondContact O-N 3.34Å; F11-L15 HydrophobicContact CD1-CD1 4.01Å; F11-L15 HydrophobicContact CD2-CD1 4.46Å; F11-L15 HydrophobicContact CD2-CG 4.38Å; F11-L15 HydrophobicContact CE1-CD1 3.6Å; F11-L15 HydrophobicContact CE1-CG 4.45Å; F11-L15 HydrophobicContact CE2-CD1 4.09Å; F11-L15 HydrophobicContact CE2-CD2 4.39Å; F11-L15 HydrophobicContact CE2-CG 4.09Å; F11-L15 HydrophobicContact CG-CD1 4.43Å; F11-L15 HydrophobicContact CZ-CD1 3.64Å; F11-L15 HydrophobicContact CZ-CD2 4.41Å; F11-L15 HydrophobicContact CZ-CG 4.13Å; F11-L15 WeakPolarHBondContact O-CB 3.48Å; F11-L15 WeakPolarHBondContact O-CG 3.42Å; F11-L15 PolarHBondContact O-N 3.1Å; F11-A65 HydrophobicContact CD1-CB 3.73Å; F11-A65 HydrophobicContact CE1-CB 4.07Å |
| 12 | C | 87.5 | Confident | 78.2 | Confident | 0 Ų | 0 | 61.3 Ų | 61.3 | 0% | 0 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -63.9 | -34.6 | 179.1 | -71.6 | 0 | 0 | 0 | 0 | 112.8 | P8 Q16 Q62 I77 | P8-C12 WeakPolarHBondContact O-CB 3.32Å; P8-C12 PolarHBondContact O-N 3.23Å; P8-C12 PolarHBondContact O-SG 3.05Å; P8-C12 VanDerWaalsContact O-SG 3.38Å; C12-Q16 WeakPolarHBondContact O-CB 3.41Å; C12-Q16 PolarHBondContact O-N 3.48Å; C12-Q62 HydrophobicContact CB-CG 4.03Å; C12-Q62 PolarHBondContact O-NE2 3.48Å; C12-I77 HydrophobicContact CB-CD1 4.45Å; C12-I77 HydrophobicContact CB-CG2 3.73Å |
| 13 | K | 89.2 | Confident | 81 | Confident | 88 Ų | 88 | 53.1 Ų | 53.1 | 38% | 0.383 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -68 | -44.6 | 173.6 | 178.9 | 172.8 | -178.4 | 169 | 0 | 112.1 | Y9 A10 F11 Q16 N17 Y81 | Y9-K13 HydrophobicContact CE1-CD 4.27Å; Y9-K13 VanDerWaalsContact O-CB 3.31Å; Y9-K13 WeakPolarHBondContact O-CB 3.45Å; Y9-K13 PolarHBondContact O-N 2.7Å; A10-K13 PolarHBondContact O-N 3.42Å; F11-K13 VanDerWaalsContact C-N 3.3Å; F11-K13 PolarHBondContact O-N 3.46Å; K13-Q16 WeakPolarHBondContact O-CB 3.49Å; K13-Q16 PolarHBondContact O-N 3.22Å; K13-N17 VanDerWaalsContact O-CG 3.24Å; K13-N17 PolarHBondContact O-N 2.93Å; K13-N17 PolarHBondContact O-ND2 3.15Å; K13-Y81 HydrophobicContact CB-CE2 4.25Å |
| 14 | D | 88.1 | Confident | 83.6 | Confident | 60 Ų | 60 | 54.3 Ų | 54.3 | 32% | 0.321 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -65.6 | -41.6 | 177.8 | -81.2 | -14.4 | 0 | 0 | 0 | 112.1 | M1 A10 F11 Q16 N17 L18 | M1-D14 HydrophobicContact CE-CB 3.48Å; M1-D14 VanDerWaalsContact CE-CB 3.48Å; M1-D14 WeakPolarHBondContact CE-OD2 3.17Å; A10-D14 WeakPolarHBondContact O-CB 3.29Å; A10-D14 PolarHBondContact O-N 3.41Å; F11-D14 PolarHBondContact O-N 3.34Å; D14-Q16 VanDerWaalsContact C-N 3.35Å; D14-N17 PolarHBondContact O-N 3.18Å; D14-L18 PolarHBondContact O-N 3.38Å |
| 15 | L | 90.4 | Very high | 85.8 | Confident | 10 Ų | 10 | 51.7 Ų | 51.7 | 5% | 0.052 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -61 | -40.7 | 169.6 | -74.3 | 176.7 | 0 | 0 | 0 | 111.8 | F11 N17 L18 I19 Y58 Q61 Q62 | F11-L15 HydrophobicContact CD1-CD1 4.01Å; F11-L15 HydrophobicContact CD2-CD1 4.46Å; F11-L15 HydrophobicContact CD2-CG 4.38Å; F11-L15 HydrophobicContact CE1-CD1 3.6Å; F11-L15 HydrophobicContact CE1-CG 4.45Å; F11-L15 HydrophobicContact CE2-CD1 4.09Å; F11-L15 HydrophobicContact CE2-CD2 4.39Å; F11-L15 HydrophobicContact CE2-CG 4.09Å; F11-L15 HydrophobicContact CG-CD1 4.43Å; F11-L15 HydrophobicContact CZ-CD1 3.64Å; F11-L15 HydrophobicContact CZ-CD2 4.41Å; F11-L15 HydrophobicContact CZ-CG 4.13Å; F11-L15 WeakPolarHBondContact O-CB 3.48Å; F11-L15 WeakPolarHBondContact O-CG 3.42Å; F11-L15 PolarHBondContact O-N 3.1Å; L15-N17 VanDerWaalsContact C-N 3.33Å; L15-N17 PolarHBondContact O-N 3.26Å; L15-L18 PolarHBondContact O-N 2.99Å; L15-I19 WeakPolarHBondContact O-CD1 3.45Å; L15-I19 VanDerWaalsContact O-CG1 3.25Å; L15-I19 WeakPolarHBondContact O-CG1 3.4Å; L15-I19 PolarHBondContact O-N 3.29Å; L15-Y58 HydrophobicContact CD2-CD1 4.09Å; L15-Y58 HydrophobicContact CD2-CG 4.4Å; L15-Q61 HydrophobicContact CD1-CB 3.85Å; L15-Q62 HydrophobicContact CB-CB 4.36Å; L15-Q62 HydrophobicContact CD1-CB 3.93Å |
| 16 | Q | 91.9 | Very high | 87.4 | Confident | 0 Ų | 0 | 52.5 Ų | 52.5 | 0% | 0 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -62.3 | -42 | 176.5 | -168.8 | 67.4 | 81.6 | 0 | 0 | 111.9 | C12 K13 D14 L18 I19 I20 Y81 K83 | C12-Q16 WeakPolarHBondContact O-CB 3.41Å; C12-Q16 PolarHBondContact O-N 3.48Å; K13-Q16 WeakPolarHBondContact O-CB 3.49Å; K13-Q16 PolarHBondContact O-N 3.22Å; D14-Q16 VanDerWaalsContact C-N 3.35Å; Q16-L18 VanDerWaalsContact C-N 3.31Å; Q16-I19 PolarHBondContact O-N 2.85Å; Q16-I20 HydrophobicContact CG-CD1 3.92Å; Q16-I20 HydrophobicContact CG-CG1 4.45Å; Q16-I20 VanDerWaalsContact O-CG1 3.27Å; Q16-I20 WeakPolarHBondContact O-CG1 3.41Å; Q16-I20 PolarHBondContact O-N 3.42Å; Q16-Y81 HydrophobicContact CB-CD1 3.53Å; Q16-Y81 HydrophobicContact CB-CE1 3.74Å; Q16-Y81 HydrophobicContact CG-CD1 3.54Å; Q16-Y81 HydrophobicContact CG-CE1 3.78Å; Q16-K83 HydrophobicContact CG-CD 4.13Å; Q16-K83 HydrophobicContact CG-CG 4.24Å |
| 17 | N | 90.7 | Very high | 88.8 | Confident | 77 Ų | 77 | 47.3 Ų | 47.3 | 41% | 0.412 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -61.6 | -42.2 | 176.9 | -65.4 | -32.2 | 0 | 0 | 0 | 110.8 | K13 D14 L15 I20 V21 | K13-N17 VanDerWaalsContact O-CG 3.24Å; K13-N17 PolarHBondContact O-N 2.93Å; K13-N17 PolarHBondContact O-ND2 3.15Å; D14-N17 PolarHBondContact O-N 3.18Å; L15-N17 VanDerWaalsContact C-N 3.33Å; L15-N17 PolarHBondContact O-N 3.26Å; N17-I20 PolarHBondContact O-N 3.22Å; N17-V21 WeakPolarHBondContact O-CG2 3.31Å; N17-V21 PolarHBondContact O-N 2.8Å |
| 18 | L | 89.2 | Confident | 89.2 | Confident | 65 Ų | 65 | 46.3 Ų | 46.3 | 34% | 0.34 | 24% | 0.238 | S | C | . | . | H | α-helix | trans | -63.6 | -45.2 | 176.5 | -170.5 | 60.1 | 0 | 0 | 0 | 111.8 | D14 L15 Q16 I20 V21 T22 Y58 | D14-L18 PolarHBondContact O-N 3.38Å; L15-L18 PolarHBondContact O-N 2.99Å; Q16-L18 VanDerWaalsContact C-N 3.31Å; L18-I20 PolarHBondContact O-N 3.29Å; L18-V21 PolarHBondContact O-N 3.26Å; L18-T22 PolarHBondContact O-N 2.86Å; L18-T22 PolarHBondContact O-OG1 2.92Å; L18-T22 VanDerWaalsContact O-OG1 3.12Å; L18-Y58 HydrophobicContact CD2-CD1 4.06Å; L18-Y58 HydrophobicContact CD2-CD2 3.92Å; L18-Y58 HydrophobicContact CD2-CE1 3.73Å; L18-Y58 HydrophobicContact CD2-CE2 3.58Å; L18-Y58 HydrophobicContact CD2-CG 4.17Å; L18-Y58 VanDerWaalsContact CD2-CZ 3.48Å; L18-Y58 HydrophobicContact CG-CD2 4.02Å; L18-Y58 HydrophobicContact CG-CE2 3.76Å |
| 19 | I | 92.1 | Very high | 89.8 | Confident | 0 Ų | 0 | 46.6 Ų | 46.6 | 0% | 0 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -58.6 | -45.8 | 175.1 | -67.8 | 158.6 | 0 | 0 | 0 | 111.2 | L15 Q16 T22 E23 Y58 L59 V86 | L15-I19 WeakPolarHBondContact O-CD1 3.45Å; L15-I19 VanDerWaalsContact O-CG1 3.25Å; L15-I19 WeakPolarHBondContact O-CG1 3.4Å; L15-I19 PolarHBondContact O-N 3.29Å; Q16-I19 PolarHBondContact O-N 2.85Å; I19-T22 PolarHBondContact O-N 3.37Å; I19-E23 WeakPolarHBondContact O-CB 3.46Å; I19-E23 PolarHBondContact O-N 3.46Å; I19-Y58 HydrophobicContact CG1-CD2 4.41Å; I19-L59 HydrophobicContact CD1-CD2 3.79Å; I19-L59 HydrophobicContact CD1-CG 3.98Å; I19-V86 HydrophobicContact CG2-CG1 4.05Å |
| 20 | I | 91.8 | Very high | 90 | Very high | 29 Ų | 29 | 44.8 Ų | 44.8 | 15% | 0.149 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -62.1 | -47.6 | 178.1 | -69.4 | 164 | 0 | 0 | 0 | 110.8 | Q16 N17 L18 T22 E23 E24 K83 V86 | Q16-I20 HydrophobicContact CG-CD1 3.92Å; Q16-I20 HydrophobicContact CG-CG1 4.45Å; Q16-I20 VanDerWaalsContact O-CG1 3.27Å; Q16-I20 WeakPolarHBondContact O-CG1 3.41Å; Q16-I20 PolarHBondContact O-N 3.42Å; N17-I20 PolarHBondContact O-N 3.22Å; L18-I20 PolarHBondContact O-N 3.29Å; I20-T22 PolarHBondContact O-N 3.04Å; I20-E23 PolarHBondContact O-N 3.46Å; I20-E24 HydrophobicContact CG2-CG 4.26Å; I20-E24 WeakPolarHBondContact O-CB 3.41Å; I20-E24 WeakPolarHBondContact O-CG 3.23Å; I20-E24 PolarHBondContact O-N 2.87Å; I20-K83 HydrophobicContact CD1-CD 4.33Å; I20-V86 HydrophobicContact CG1-CG1 4.05Å; I20-V86 HydrophobicContact CG1-CG2 4.25Å |
| 21 | V | 88.7 | Confident | 90.2 | Very high | 65 Ų | 65 | 45.8 Ų | 45.8 | 39% | 0.394 | 23% | 0.232 | S | C | . | . | H | α-helix | trans | -64.4 | -41.1 | -179.5 | 170.3 | 0 | 0 | 0 | 0 | 111.5 | N17 L18 Q25 | N17-V21 WeakPolarHBondContact O-CG2 3.31Å; N17-V21 PolarHBondContact O-N 2.8Å; L18-V21 PolarHBondContact O-N 3.26Å; V21-Q25 HydrophobicContact CG1-CG 4.44Å; V21-Q25 VanDerWaalsContact O-CB 3.27Å; V21-Q25 WeakPolarHBondContact O-CB 3.4Å; V21-Q25 PolarHBondContact O-N 3.23Å |
| 22 | T | 89.6 | Confident | 90.3 | Very high | 16 Ų | 16 | 48.1 Ų | 48.1 | 10% | 0.098 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -68.1 | -36.4 | 176.1 | -57.5 | 0 | 0 | 0 | 0 | 112.3 | L18 I19 I20 I26 I27 A51 T55 | L18-T22 PolarHBondContact O-N 2.86Å; L18-T22 PolarHBondContact O-OG1 2.92Å; L18-T22 VanDerWaalsContact O-OG1 3.12Å; I19-T22 PolarHBondContact O-N 3.37Å; I20-T22 PolarHBondContact O-N 3.04Å; T22-I26 HydrophobicContact CG2-CB 4.38Å; T22-I26 HydrophobicContact CG2-CD1 4.34Å; T22-I26 WeakPolarHBondContact O-CA 3.46Å; T22-I26 WeakPolarHBondContact O-CB 3.29Å; T22-I26 PolarHBondContact O-N 3.16Å; T22-I27 HydrophobicContact CG2-CD1 4.17Å; T22-I27 HydrophobicContact CG2-CG1 4.29Å; T22-I27 PolarHBondContact O-N 2.95Å; T22-A51 HydrophobicContact CG2-CB 4.36Å; T22-T55 HydrophobicContact CG2-CG2 3.48Å; T22-T55 VanDerWaalsContact CG2-CG2 3.48Å |
| 23 | E | 92.8 | Very high | 90.3 | Very high | 2 Ų | 2 | 52 Ų | 52 | 1% | 0.009 | 26% | 0.261 | C | S | . | . | I | π-helix | trans | -65.7 | -58.2 | 173.9 | -162.4 | -84 | 109.6 | 0 | 0 | 110.8 | I19 I20 Q25 I27 S28 V86 R89 | I19-E23 WeakPolarHBondContact O-CB 3.46Å; I19-E23 PolarHBondContact O-N 3.46Å; I20-E23 PolarHBondContact O-N 3.46Å; E23-Q25 PolarHBondContact O-N 3.38Å; E23-I27 PolarHBondContact O-N 2.86Å; E23-S28 WeakPolarHBondContact O-CB 3.42Å; E23-S28 PolarHBondContact O-N 2.74Å; E23-S28 VanDerWaalsContact OE1-CB 3.29Å; E23-S28 WeakPolarHBondContact OE1-CB 3.27Å; E23-S28 PolarHBondContact OE1-OG 2.8Å; E23-V86 HydrophobicContact CB-CG1 4.39Å; E23-R89 HydrophobicContact CG-CB 4.1Å; E23-R89 IonicContact OE2-CZ 3.41Å; E23-R89 IonicContact OE2-NE 3.35Å; E23-R89 IonicContact OE2-NH1 2.68Å; E23-R89 PolarHBondContact OE2-NH1 3.02Å |
| 24 | E | 91.2 | Very high | 90.3 | Very high | 106 Ų | 106 | 50.1 Ų | 50.1 | 50% | 0.495 | 25% | 0.254 | S | S | . | . | I | π-helix | trans | -69.1 | -33.3 | -172.2 | -67.8 | -178.4 | 172.8 | 0 | 0 | 114.1 | I20 P29 | I20-E24 HydrophobicContact CG2-CG 4.26Å; I20-E24 WeakPolarHBondContact O-CB 3.41Å; I20-E24 WeakPolarHBondContact O-CG 3.23Å; I20-E24 PolarHBondContact O-N 2.87Å; E24-P29 VanDerWaalsContact O-CD 3.32Å; E24-P29 WeakPolarHBondContact O-CD 3.26Å; E24-P29 WeakPolarHBondContact O-CG 3.42Å |
| 25 | Q | 89.9 | Confident | 90.2 | Very high | 133 Ų | 133 | 56 Ų | 56 | 62% | 0.621 | 28% | 0.277 | S | S | * | . | I | π-helix | trans | -106.9 | -12.9 | -173.3 | -53.8 | -171.4 | 14.5 | 0 | 0 | 114.9 | V21 E23 | V21-Q25 HydrophobicContact CG1-CG 4.44Å; V21-Q25 VanDerWaalsContact O-CB 3.27Å; V21-Q25 WeakPolarHBondContact O-CB 3.4Å; V21-Q25 PolarHBondContact O-N 3.23Å; E23-Q25 PolarHBondContact O-N 3.38Å |
| 26 | I | 89.7 | Confident | 89.9 | Confident | 75 Ų | 75 | 64.2 Ų | 64.2 | 39% | 0.385 | 31% | 0.307 | S | S | . | . | I | π-helix | trans | -124.2 | -64 | -179.1 | -53.7 | 179.5 | 0 | 0 | 0 | 110.8 | T22 P29 L30 A51 | T22-I26 HydrophobicContact CG2-CB 4.38Å; T22-I26 HydrophobicContact CG2-CD1 4.34Å; T22-I26 WeakPolarHBondContact O-CA 3.46Å; T22-I26 WeakPolarHBondContact O-CB 3.29Å; T22-I26 PolarHBondContact O-N 3.16Å; I26-P29 WeakPolarHBondContact O-CD 3.46Å; I26-L30 HydrophobicContact CG2-CD1 3.77Å; I26-L30 WeakPolarHBondContact O-CB 3.4Å; I26-L30 VanDerWaalsContact O-CG 3.24Å; I26-L30 WeakPolarHBondContact O-CG 3.36Å; I26-L30 PolarHBondContact O-N 3.11Å; I26-A51 HydrophobicContact CG2-CB 3.83Å |
| 27 | I | 91.9 | Very high | 89 | Confident | 0 Ų | 0 | 65.7 Ų | 65.7 | 0% | 0 | 32% | 0.317 | C | S | . | . | I | π-helix | trans | -66.3 | -51.8 | -172.8 | -59 | 171.2 | 0 | 0 | 0 | 111.5 | T22 E23 L30 R31 A51 E52 T55 | T22-I27 HydrophobicContact CG2-CD1 4.17Å; T22-I27 HydrophobicContact CG2-CG1 4.29Å; T22-I27 PolarHBondContact O-N 2.95Å; E23-I27 PolarHBondContact O-N 2.86Å; I27-L30 PolarHBondContact O-N 3.17Å; I27-R31 HydrophobicContact CG2-CG 4.32Å; I27-R31 WeakPolarHBondContact O-CB 3.3Å; I27-R31 WeakPolarHBondContact O-CG 3.33Å; I27-R31 PolarHBondContact O-N 3.33Å; I27-A51 HydrophobicContact CD1-CB 4.32Å; I27-A51 HydrophobicContact CG1-CB 3.67Å; I27-E52 HydrophobicContact CD1-CG 4.37Å; I27-E52 HydrophobicContact CG2-CG 4.32Å; I27-T55 HydrophobicContact CD1-CG2 4.04Å |
| 28 | S | 91.7 | Very high | 88.4 | Confident | 27 Ų | 27 | 68.5 Ų | 68.5 | 19% | 0.189 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -62.6 | -41.7 | 180 | -104.4 | 0 | 0 | 0 | 0 | 113.4 | E23 K32 | E23-S28 WeakPolarHBondContact O-CB 3.42Å; E23-S28 PolarHBondContact O-N 2.74Å; E23-S28 VanDerWaalsContact OE1-CB 3.29Å; E23-S28 WeakPolarHBondContact OE1-CB 3.27Å; E23-S28 PolarHBondContact OE1-OG 2.8Å; S28-K32 VanDerWaalsContact O-CD 3.28Å; S28-K32 WeakPolarHBondContact O-CD 3.42Å; S28-K32 VanDerWaalsContact O-CG 3.23Å; S28-K32 WeakPolarHBondContact O-CG 3.27Å; S28-K32 PolarHBondContact O-N 3.42Å |
| 29 | P | 91.2 | Very high | 87.8 | Confident | 56 Ų | 56 | 73.6 Ų | 73.6 | 36% | 0.364 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -64.1 | -48.7 | 172.3 | -29 | 39 | 0 | 0 | 0 | 113.9 | E24 I26 R31 K32 E33 | E24-P29 VanDerWaalsContact O-CD 3.32Å; E24-P29 WeakPolarHBondContact O-CD 3.26Å; E24-P29 WeakPolarHBondContact O-CG 3.42Å; I26-P29 WeakPolarHBondContact O-CD 3.46Å; P29-R31 PolarHBondContact O-N 3.19Å; P29-K32 WeakPolarHBondContact O-CA 3.42Å; P29-K32 WeakPolarHBondContact O-CB 3.49Å; P29-K32 PolarHBondContact O-N 2.72Å; P29-E33 PolarHBondContact O-N 2.98Å |
| 30 | L | 89.4 | Confident | 87.1 | Confident | 30 Ų | 30 | 78.7 Ų | 78.7 | 16% | 0.157 | 38% | 0.378 | C | S | . | . | H | α-helix | trans | -62.7 | -43.3 | -179.5 | -69.2 | 171.2 | 0 | 0 | 0 | 111.7 | I26 I27 K32 E33 L34 L44 E47 I48 | I26-L30 HydrophobicContact CG2-CD1 3.77Å; I26-L30 WeakPolarHBondContact O-CB 3.4Å; I26-L30 VanDerWaalsContact O-CG 3.24Å; I26-L30 WeakPolarHBondContact O-CG 3.36Å; I26-L30 PolarHBondContact O-N 3.11Å; I27-L30 PolarHBondContact O-N 3.17Å; L30-K32 PolarHBondContact O-N 3.18Å; L30-E33 PolarHBondContact O-N 2.85Å; L30-L34 PolarHBondContact O-N 2.92Å; L30-L44 HydrophobicContact CD2-CD2 3.8Å; L30-E47 HydrophobicContact CD1-CB 3.98Å; L30-I48 HydrophobicContact CB-CD1 4.01Å; L30-I48 HydrophobicContact CB-CG1 3.44Å; L30-I48 VanDerWaalsContact CB-CG1 3.44Å; L30-I48 HydrophobicContact CD1-CG1 4.27Å; L30-I48 HydrophobicContact CG-CG1 4.49Å |
| 31 | R | 90.5 | Very high | 86.6 | Confident | 51 Ų | 51 | 79.3 Ų | 79.3 | 19% | 0.192 | 39% | 0.385 | C | S | . | . | H | α-helix | trans | -62.7 | -19.8 | 173.9 | -72.6 | 179.5 | -179.1 | 160.4 | -4.5 | 113.8 | I27 P29 K35 I48 E52 R89 C90 | I27-R31 HydrophobicContact CG2-CG 4.32Å; I27-R31 WeakPolarHBondContact O-CB 3.3Å; I27-R31 WeakPolarHBondContact O-CG 3.33Å; I27-R31 PolarHBondContact O-N 3.33Å; P29-R31 PolarHBondContact O-N 3.19Å; R31-K35 WeakPolarHBondContact O-CG 3.39Å; R31-I48 HydrophobicContact CB-CD1 4.49Å; R31-I48 HydrophobicContact CG-CD1 3.95Å; R31-I48 HydrophobicContact CG-CG1 4.2Å; R31-I48 HydrophobicContact CG-CG2 3.94Å; R31-E52 IonicContact CZ-OE1 3.82Å; R31-E52 VanDerWaalsContact CZ-OE1 3.3Å; R31-E52 IonicContact NE-OE1 2.88Å; R31-E52 PolarHBondContact NE-OE1 3.25Å; R31-E52 VanDerWaalsContact NE-OE1 3.13Å; R31-E52 IonicContact NH2-OE1 3.68Å; R31-E52 PolarHBondContact NH2-OE1 2.99Å; R31-R89 PolarHBondContact NH1-O 3.09Å; R31-C90 PolarHBondContact NH2-O 2.89Å |
| 32 | K | 89.9 | Confident | 86.3 | Confident | 121 Ų | 121 | 83.7 Ų | 83.7 | 53% | 0.526 | 40% | 0.401 | S | S | . | . | H | α-helix | trans | -84.9 | -32.1 | 172.5 | -74.1 | 163.8 | -171.1 | 163.3 | 0 | 112.1 | S28 P29 L30 K35 R36 | S28-K32 VanDerWaalsContact O-CD 3.28Å; S28-K32 WeakPolarHBondContact O-CD 3.42Å; S28-K32 VanDerWaalsContact O-CG 3.23Å; S28-K32 WeakPolarHBondContact O-CG 3.27Å; S28-K32 PolarHBondContact O-N 3.42Å; P29-K32 WeakPolarHBondContact O-CA 3.42Å; P29-K32 WeakPolarHBondContact O-CB 3.49Å; P29-K32 PolarHBondContact O-N 2.72Å; L30-K32 PolarHBondContact O-N 3.18Å; K32-K35 PolarHBondContact O-N 2.67Å; K32-R36 WeakPolarHBondContact O-CD 3.46Å; K32-R36 WeakPolarHBondContact O-CG 3.38Å |
| 33 | E | 87.7 | Confident | 85.8 | Confident | 82 Ų | 82 | 87.7 Ų | 87.7 | 38% | 0.383 | 42% | 0.421 | S | S | . | . | H | α-helix | trans | -80.3 | -34.9 | 178.6 | -148 | 63 | -167.8 | 0 | 0 | 112.5 | P29 L30 K35 R36 S37 | P29-E33 PolarHBondContact O-N 2.98Å; L30-E33 PolarHBondContact O-N 2.85Å; E33-K35 PolarHBondContact O-N 3.07Å; E33-R36 WeakPolarHBondContact O-CA 3.35Å; E33-R36 WeakPolarHBondContact O-CB 3.26Å; E33-R36 PolarHBondContact O-N 3.45Å; E33-R36 VanDerWaalsContact OE2-CD 3.26Å; E33-R36 WeakPolarHBondContact OE2-CD 3.49Å; E33-R36 IonicContact OE2-CZ 3.62Å; E33-R36 IonicContact OE2-NE 3.66Å; E33-R36 IonicContact OE2-NH1 2.74Å; E33-R36 PolarHBondContact OE2-NH1 3.04Å; E33-S37 PolarHBondContact O-N 3.49Å |
| 34 | L | 88.1 | Confident | 85.5 | Confident | 47 Ų | 47 | 88.6 Ų | 88.6 | 25% | 0.246 | 43% | 0.426 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -57.5 | -28.7 | 168.5 | 178.5 | 61 | 0 | 0 | 0 | 112.2 | L30 R36 S41 L44 I48 | L30-L34 PolarHBondContact O-N 2.92Å; L34-R36 VanDerWaalsContact C-N 3.26Å; L34-R36 PolarHBondContact O-N 3.4Å; L34-S41 WeakPolarHBondContact CD1-O 3.41Å; L34-L44 HydrophobicContact CB-CB 4.27Å; L34-L44 HydrophobicContact CB-CD1 4.42Å; L34-L44 HydrophobicContact CD1-CB 4.15Å; L34-I48 HydrophobicContact CB-CD1 4Å; L34-I48 HydrophobicContact CD2-CD1 3.63Å; L34-I48 HydrophobicContact CG-CD1 4.45Å |
| 35 | K | 85.6 | Confident | 85.3 | Confident | 183 Ų | 183 | 86.1 Ų | 86.1 | 80% | 0.796 | 42% | 0.42 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84.8 | 10.4 | 174.6 | -67.2 | -177.3 | -179.9 | -169.2 | 0 | 113.9 | R31 K32 E33 | R31-K35 WeakPolarHBondContact O-CG 3.39Å; K32-K35 PolarHBondContact O-N 2.67Å; E33-K35 PolarHBondContact O-N 3.07Å |
| 36 | R | 83.7 | Confident | 85.1 | Confident | 183 Ų | 183 | 83.6 Ų | 83.6 | 69% | 0.691 | 41% | 0.411 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -130.7 | -29.1 | -177.6 | -70.3 | 167.8 | 171.7 | 172 | -4.3 | 114.2 | K32 E33 L34 | K32-R36 WeakPolarHBondContact O-CD 3.46Å; K32-R36 WeakPolarHBondContact O-CG 3.38Å; E33-R36 WeakPolarHBondContact O-CA 3.35Å; E33-R36 WeakPolarHBondContact O-CB 3.26Å; E33-R36 PolarHBondContact O-N 3.45Å; E33-R36 VanDerWaalsContact OE2-CD 3.26Å; E33-R36 WeakPolarHBondContact OE2-CD 3.49Å; E33-R36 IonicContact OE2-CZ 3.62Å; E33-R36 IonicContact OE2-NE 3.66Å; E33-R36 IonicContact OE2-NH1 2.74Å; E33-R36 PolarHBondContact OE2-NH1 3.04Å; L34-R36 VanDerWaalsContact C-N 3.26Å; L34-R36 PolarHBondContact O-N 3.4Å |
| 37 | S | 74.4 | Confident | 85 | Confident | 31 Ų | 31 | 84.9 Ų | 84.9 | 22% | 0.217 | 42% | 0.415 | C | S | . | . | trans | -132 | 102.2 | -174.9 | -176.1 | 0 | 0 | 0 | 0 | 111.2 | E33 E39 | E33-S37 PolarHBondContact O-N 3.49Å; S37-E39 VanDerWaalsContact C-N 3.28Å | ||
| 38 | D | 77.6 | Confident | 84.8 | Confident | 136 Ų | 136 | 85.3 Ų | 85.3 | 73% | 0.727 | 42% | 0.417 | S | S | * | . | G | 310 helix | trans | -70 | -27.7 | 175 | -60.1 | -45.8 | 0 | 0 | 0 | 111.8 | H40 S41 | D38-H40 PolarHBondContact O-N 3.18Å; D38-H40 VanDerWaalsContact O-N 3.07Å; D38-S41 VanDerWaalsContact O-CB 3.27Å; D38-S41 WeakPolarHBondContact O-CB 3.42Å; D38-S41 PolarHBondContact O-N 2.91Å; D38-S41 VanDerWaalsContact O-N 3.09Å; D38-S41 PolarHBondContact O-OG 3.41Å |
| 39 | E | 75.5 | Confident | 84.7 | Confident | 173 Ų | 173 | 88 Ų | 88 | 81% | 0.808 | 43% | 0.427 | S | S | * | . | G | 310 helix | trans | -59.7 | -20.9 | -177.2 | -64.7 | -173.2 | 146.1 | 0 | 0 | 114 | S37 | S37-E39 VanDerWaalsContact C-N 3.28Š|
| 40 | H | 77.5 | Confident | 84.5 | Confident | 107 Ų | 107 | 88.7 Ų | 88.7 | 50% | 0.495 | 43% | 0.427 | S | S | . | . | G | 310 helix | trans | -125.4 | 18.1 | 179 | -59 | -16.1 | 0 | 0 | 0 | 112.4 | D38 E42 I43 L44 | D38-H40 PolarHBondContact O-N 3.18Å; D38-H40 VanDerWaalsContact O-N 3.07Å; H40-E42 PolarHBondContact O-N 3.48Å; H40-I43 PolarHBondContact O-N 3.33Å; H40-I43 VanDerWaalsContact O-N 3.15Å; H40-L44 HydrophobicContact CB-CD1 4.2Å; H40-L44 HydrophobicContact CB-CG 4.34Å; H40-L44 WeakPolarHBondContact O-CG 3.09Å; H40-L44 PolarHBondContact O-N 2.94Å |
| 41 | S | 83.2 | Confident | 84.5 | Confident | 42 Ų | 42 | 87.9 Ų | 87.9 | 29% | 0.294 | 43% | 0.425 | S | S | . | . | H | α-helix | trans | -56.1 | -41.5 | -171.7 | 50.8 | 0 | 0 | 0 | 0 | 114.3 | L34 D38 S45 | L34-S41 WeakPolarHBondContact CD1-O 3.41Å; D38-S41 VanDerWaalsContact O-CB 3.27Å; D38-S41 WeakPolarHBondContact O-CB 3.42Å; D38-S41 PolarHBondContact O-N 2.91Å; D38-S41 VanDerWaalsContact O-N 3.09Å; D38-S41 PolarHBondContact O-OG 3.41Å; S41-S45 VanDerWaalsContact O-CB 3.23Å; S41-S45 WeakPolarHBondContact O-CB 3.46Å; S41-S45 PolarHBondContact O-N 3.49Å; S41-S45 PolarHBondContact O-OG 3.49Å |
| 42 | E | 81.7 | Confident | 84.6 | Confident | 157 Ų | 157 | 85.9 Ų | 85.9 | 73% | 0.734 | 42% | 0.418 | S | S | * | . | H | α-helix | trans | -64 | -45.8 | 176.3 | -63.7 | -173.1 | 158 | 0 | 0 | 112.6 | H40 S45 L46 | H40-E42 PolarHBondContact O-N 3.48Å; E42-S45 PolarHBondContact O-N 3.48Å; E42-L46 WeakPolarHBondContact O-CG 3.36Å; E42-L46 PolarHBondContact O-N 3.27Å |
| 43 | I | 79.7 | Confident | 84.7 | Confident | 100 Ų | 100 | 80.2 Ų | 80.2 | 51% | 0.513 | 39% | 0.393 | S | S | . | . | H | α-helix | trans | -65.2 | -49.4 | -178.7 | -59.1 | 174.8 | 0 | 0 | 0 | 109.6 | H40 S45 L46 E47 | H40-I43 PolarHBondContact O-N 3.33Å; H40-I43 VanDerWaalsContact O-N 3.15Å; I43-S45 VanDerWaalsContact C-N 3.3Å; I43-S45 PolarHBondContact O-N 3.04Å; I43-L46 PolarHBondContact O-N 3.3Å; I43-L46 VanDerWaalsContact O-N 3.15Å; I43-E47 PolarHBondContact O-N 3.32Å |
| 44 | L | 85.2 | Confident | 84.7 | Confident | 20 Ų | 20 | 78.9 Ų | 78.9 | 11% | 0.105 | 39% | 0.386 | C | S | . | . | H | α-helix | trans | -60 | -40.7 | 177 | -69.2 | 171 | 0 | 0 | 0 | 111.4 | L30 L34 H40 E47 I48 | L30-L44 HydrophobicContact CD2-CD2 3.8Å; L34-L44 HydrophobicContact CB-CB 4.27Å; L34-L44 HydrophobicContact CB-CD1 4.42Å; L34-L44 HydrophobicContact CD1-CB 4.15Å; H40-L44 HydrophobicContact CB-CD1 4.2Å; H40-L44 HydrophobicContact CB-CG 4.34Å; H40-L44 WeakPolarHBondContact O-CG 3.09Å; H40-L44 PolarHBondContact O-N 2.94Å; L44-E47 PolarHBondContact O-N 2.88Å; L44-I48 WeakPolarHBondContact O-CB 3.48Å; L44-I48 VanDerWaalsContact O-CD1 3.31Å; L44-I48 WeakPolarHBondContact O-CD1 3.37Å; L44-I48 WeakPolarHBondContact O-CG1 3.47Å; L44-I48 PolarHBondContact O-N 3.28Å |
| 45 | S | 86.8 | Confident | 84.9 | Confident | 54 Ų | 54 | 76.6 Ų | 76.6 | 38% | 0.378 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -63.4 | -40.1 | 175.5 | -61.8 | 0 | 0 | 0 | 0 | 112.4 | S41 E42 I43 Q49 | S41-S45 VanDerWaalsContact O-CB 3.23Å; S41-S45 WeakPolarHBondContact O-CB 3.46Å; S41-S45 PolarHBondContact O-N 3.49Å; S41-S45 PolarHBondContact O-OG 3.49Å; E42-S45 PolarHBondContact O-N 3.48Å; I43-S45 VanDerWaalsContact C-N 3.3Å; I43-S45 PolarHBondContact O-N 3.04Å; S45-Q49 VanDerWaalsContact O-CB 3.25Å; S45-Q49 WeakPolarHBondContact O-CB 3.22Å; S45-Q49 PolarHBondContact O-N 2.97Å |
| 46 | L | 85.4 | Confident | 85.4 | Confident | 81 Ų | 81 | 68.2 Ų | 68.2 | 42% | 0.424 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -67.4 | -38.8 | 176.2 | -74.8 | 169.4 | 0 | 0 | 0 | 112.8 | E42 I43 D50 | E42-L46 WeakPolarHBondContact O-CG 3.36Å; E42-L46 PolarHBondContact O-N 3.27Å; I43-L46 PolarHBondContact O-N 3.3Å; I43-L46 VanDerWaalsContact O-N 3.15Å; L46-D50 PolarHBondContact O-N 3.32Å |
| 47 | E | 87.5 | Confident | 85.6 | Confident | 101 Ų | 101 | 59.6 Ų | 59.6 | 47% | 0.472 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -69 | -45.4 | 175.8 | -71.5 | -172.2 | 164.2 | 0 | 0 | 112.3 | L30 I43 L44 Q49 D50 A51 | L30-E47 HydrophobicContact CD1-CB 3.98Å; I43-E47 PolarHBondContact O-N 3.32Å; L44-E47 PolarHBondContact O-N 2.88Å; E47-Q49 VanDerWaalsContact C-N 3.33Å; E47-Q49 PolarHBondContact O-N 3.43Å; E47-D50 PolarHBondContact O-N 3.29Å; E47-A51 PolarHBondContact O-N 3.02Å |
| 48 | I | 89.4 | Confident | 86.4 | Confident | 10 Ų | 10 | 60.2 Ų | 60.2 | 5% | 0.051 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -55.6 | -51.1 | 173.1 | -72.1 | 161.8 | 0 | 0 | 0 | 109.5 | L30 R31 L34 L44 D50 A51 E52 | L30-I48 HydrophobicContact CB-CD1 4.01Å; L30-I48 HydrophobicContact CB-CG1 3.44Å; L30-I48 VanDerWaalsContact CB-CG1 3.44Å; L30-I48 HydrophobicContact CD1-CG1 4.27Å; L30-I48 HydrophobicContact CG-CG1 4.49Å; R31-I48 HydrophobicContact CB-CD1 4.49Å; R31-I48 HydrophobicContact CG-CD1 3.95Å; R31-I48 HydrophobicContact CG-CG1 4.2Å; R31-I48 HydrophobicContact CG-CG2 3.94Å; L34-I48 HydrophobicContact CB-CD1 4Å; L34-I48 HydrophobicContact CD2-CD1 3.63Å; L34-I48 HydrophobicContact CG-CD1 4.45Å; L44-I48 WeakPolarHBondContact O-CB 3.48Å; L44-I48 VanDerWaalsContact O-CD1 3.31Å; L44-I48 WeakPolarHBondContact O-CD1 3.37Å; L44-I48 WeakPolarHBondContact O-CG1 3.47Å; L44-I48 PolarHBondContact O-N 3.28Å; I48-D50 VanDerWaalsContact C-N 3.25Å; I48-D50 PolarHBondContact O-N 3.48Å; I48-A51 PolarHBondContact O-N 3.4Å; I48-E52 HydrophobicContact CG2-CG 4.23Å; I48-E52 WeakPolarHBondContact CG2-OE1 3.4Å; I48-E52 WeakPolarHBondContact O-CB 3.4Å; I48-E52 VanDerWaalsContact O-CG 3.26Å; I48-E52 WeakPolarHBondContact O-CG 3.5Å; I48-E52 PolarHBondContact O-N 3.45Å |
| 49 | Q | 89.7 | Confident | 87.1 | Confident | 83 Ų | 83 | 53.8 Ų | 53.8 | 39% | 0.388 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -60.2 | -36.4 | -179.6 | -160.5 | -155.3 | 70.5 | 0 | 0 | 111.3 | S45 E47 N53 | S45-Q49 VanDerWaalsContact O-CB 3.25Å; S45-Q49 WeakPolarHBondContact O-CB 3.22Å; S45-Q49 PolarHBondContact O-N 2.97Å; E47-Q49 VanDerWaalsContact C-N 3.33Å; E47-Q49 PolarHBondContact O-N 3.43Å; Q49-N53 WeakPolarHBondContact O-CB 3.45Å; Q49-N53 PolarHBondContact O-N 3.42Å; Q49-N53 PolarHBondContact O-ND2 3.44Å |
| 50 | D | 86.1 | Confident | 87.8 | Confident | 70 Ų | 70 | 45.5 Ų | 45.5 | 37% | 0.374 | 23% | 0.23 | S | C | . | . | H | α-helix | trans | -71.2 | -40.6 | 178.3 | -134.2 | 53.7 | 0 | 0 | 0 | 112.7 | L46 E47 I48 N53 K54 K166 | L46-D50 PolarHBondContact O-N 3.32Å; E47-D50 PolarHBondContact O-N 3.29Å; I48-D50 VanDerWaalsContact C-N 3.25Å; I48-D50 PolarHBondContact O-N 3.48Å; D50-N53 WeakPolarHBondContact O-CB 3.39Å; D50-N53 PolarHBondContact O-N 3.49Å; D50-K54 WeakPolarHBondContact O-CB 3.5Å; D50-K54 PolarHBondContact O-N 2.96Å; D50-K166 IonicContact OD1-NZ 3.76Å; D50-K166 PolarHBondContact OD1-NZ 3.21Å |
| 51 | A | 88.7 | Confident | 88.3 | Confident | 13 Ų | 13 | 43 Ų | 43 | 11% | 0.107 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -67.3 | -39.6 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.9 | T22 I26 I27 E47 I48 K54 T55 | T22-A51 HydrophobicContact CG2-CB 4.36Å; I26-A51 HydrophobicContact CG2-CB 3.83Å; I27-A51 HydrophobicContact CD1-CB 4.32Å; I27-A51 HydrophobicContact CG1-CB 3.67Å; E47-A51 PolarHBondContact O-N 3.02Å; I48-A51 PolarHBondContact O-N 3.4Å; A51-K54 PolarHBondContact O-N 2.88Å; A51-T55 PolarHBondContact O-N 2.91Å; A51-T55 PolarHBondContact O-OG1 3.45Å |
| 52 | E | 93.3 | Very high | 88.6 | Confident | 10 Ų | 10 | 41 Ų | 41 | 5% | 0.047 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -59.8 | -52.4 | 169 | -72.8 | 168.1 | 174.5 | 0 | 0 | 110.9 | I27 R31 I48 K54 T55 F56 H136 | I27-E52 HydrophobicContact CD1-CG 4.37Å; I27-E52 HydrophobicContact CG2-CG 4.32Å; R31-E52 IonicContact CZ-OE1 3.82Å; R31-E52 VanDerWaalsContact CZ-OE1 3.3Å; R31-E52 IonicContact NE-OE1 2.88Å; R31-E52 PolarHBondContact NE-OE1 3.25Å; R31-E52 VanDerWaalsContact NE-OE1 3.13Å; R31-E52 IonicContact NH2-OE1 3.68Å; R31-E52 PolarHBondContact NH2-OE1 2.99Å; I48-E52 HydrophobicContact CG2-CG 4.23Å; I48-E52 WeakPolarHBondContact CG2-OE1 3.4Å; I48-E52 WeakPolarHBondContact O-CB 3.4Å; I48-E52 VanDerWaalsContact O-CG 3.26Å; I48-E52 WeakPolarHBondContact O-CG 3.5Å; I48-E52 PolarHBondContact O-N 3.45Å; E52-K54 PolarHBondContact O-N 3.4Å; E52-T55 WeakPolarHBondContact CA-OG1 3.41Å; E52-T55 PolarHBondContact O-N 2.88Å; E52-T55 VanDerWaalsContact O-N 3.16Å; E52-T55 PolarHBondContact O-OG1 3.39Å; E52-F56 HydrophobicContact CB-CE1 4.48Å; E52-F56 HydrophobicContact CB-CE2 4.13Å; E52-F56 HydrophobicContact CB-CZ 3.94Å; E52-F56 VanDerWaalsContact O-CD1 3.31Å; E52-F56 WeakPolarHBondContact O-CD1 3.38Å; E52-F56 WeakPolarHBondContact O-CD2 3.4Å; E52-F56 WeakPolarHBondContact O-CG 3.38Å; E52-F56 PolarHBondContact O-N 3.4Å; E52-H136 IonicContact OE1-CE1 3.94Å; E52-H136 IonicContact OE1-NE2 2.71Å; E52-H136 IonicContact OE2-CE1 3.65Å; E52-H136 PolarHBondContact OE2-CE1 2.87Å; E52-H136 VanDerWaalsContact OE2-CE1 3.31Å; E52-H136 IonicContact OE2-NE2 2.67Å |
| 53 | N | 91.8 | Very high | 88.8 | Confident | 1 Ų | 1 | 33.9 Ų | 33.9 | 1% | 0.005 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -52.9 | -42.5 | 177.5 | -89.5 | -58.4 | 0 | 0 | 0 | 111.9 | Q49 D50 E57 K143 R162 | Q49-N53 WeakPolarHBondContact O-CB 3.45Å; Q49-N53 PolarHBondContact O-N 3.42Å; Q49-N53 PolarHBondContact O-ND2 3.44Å; D50-N53 WeakPolarHBondContact O-CB 3.39Å; D50-N53 PolarHBondContact O-N 3.49Å; N53-E57 VanDerWaalsContact O-CG 3.23Å; N53-E57 WeakPolarHBondContact O-CG 3.45Å; N53-K143 WeakPolarHBondContact OD1-CD 3.26Å; N53-K143 VanDerWaalsContact OD1-CE 3.28Å; N53-K143 WeakPolarHBondContact OD1-CE 3.21Å; N53-K143 PolarHBondContact OD1-NZ 3.25Å; N53-R162 VanDerWaalsContact CG-CD 3.45Å; N53-R162 PolarHBondContact OD1-NE 2.99Å |
| 54 | K | 88.7 | Confident | 88.9 | Confident | 54 Ų | 54 | 29.3 Ų | 29.3 | 24% | 0.235 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -72.6 | -39.2 | 179.9 | -157.4 | 72 | -172 | 157.7 | 0 | 113 | D50 A51 E52 F56 E57 Y58 D159 | D50-K54 WeakPolarHBondContact O-CB 3.5Å; D50-K54 PolarHBondContact O-N 2.96Å; A51-K54 PolarHBondContact O-N 2.88Å; E52-K54 PolarHBondContact O-N 3.4Å; K54-F56 VanDerWaalsContact C-N 3.31Å; K54-F56 PolarHBondContact O-N 3.18Å; K54-E57 WeakPolarHBondContact CE-OE2 2.96Å; K54-E57 IonicContact NZ-OE2 3.3Å; K54-E57 PolarHBondContact NZ-OE2 2.81Å; K54-E57 WeakPolarHBondContact O-CB 3.4Å; K54-E57 PolarHBondContact O-N 3.09Å; K54-E57 VanDerWaalsContact O-N 3.08Å; K54-Y58 HydrophobicContact CG-CE1 4.39Å; K54-Y58 HydrophobicContact CG-CE2 3.94Å; K54-Y58 WeakPolarHBondContact CG-OH 3.46Å; K54-Y58 PolarHBondContact O-N 3.48Å; K54-D159 IonicContact NZ-OD1 3.81Å; K54-D159 PolarHBondContact NZ-OD1 3.33Å; K54-D159 IonicContact NZ-OD2 2.66Å; K54-D159 PolarHBondContact NZ-OD2 3.4Å |
| 55 | T | 92.2 | Very high | 88.8 | Confident | 0 Ų | 0 | 29 Ų | 29 | 0% | 0 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -67.1 | -30.8 | 173.7 | 43.7 | 0 | 0 | 0 | 0 | 112.8 | T22 I27 A51 E52 E57 Y58 L59 | T22-T55 HydrophobicContact CG2-CG2 3.48Å; T22-T55 VanDerWaalsContact CG2-CG2 3.48Å; I27-T55 HydrophobicContact CD1-CG2 4.04Å; A51-T55 PolarHBondContact O-N 2.91Å; A51-T55 PolarHBondContact O-OG1 3.45Å; E52-T55 WeakPolarHBondContact CA-OG1 3.41Å; E52-T55 PolarHBondContact O-N 2.88Å; E52-T55 VanDerWaalsContact O-N 3.16Å; E52-T55 PolarHBondContact O-OG1 3.39Å; T55-E57 PolarHBondContact O-N 2.8Å; T55-Y58 HydrophobicContact CG2-CD2 4.32Å; T55-Y58 PolarHBondContact O-N 3.28Å; T55-L59 WeakPolarHBondContact O-CB 3.33Å; T55-L59 VanDerWaalsContact O-CG 3.32Å; T55-L59 WeakPolarHBondContact O-CG 3.31Å; T55-L59 PolarHBondContact O-N 3.09Å |
| 56 | F | 94.3 | Very high | 88.5 | Confident | 7 Ų | 7 | 26.7 Ų | 26.7 | 3% | 0.031 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -64.2 | -21.1 | 170.4 | -59.1 | -18 | 0 | 0 | 0 | 113.4 | E52 K54 L59 A60 L91 K143 I144 N147 | E52-F56 HydrophobicContact CB-CE1 4.48Å; E52-F56 HydrophobicContact CB-CE2 4.13Å; E52-F56 HydrophobicContact CB-CZ 3.94Å; E52-F56 VanDerWaalsContact O-CD1 3.31Å; E52-F56 WeakPolarHBondContact O-CD1 3.38Å; E52-F56 WeakPolarHBondContact O-CD2 3.4Å; E52-F56 WeakPolarHBondContact O-CG 3.38Å; E52-F56 PolarHBondContact O-N 3.4Å; K54-F56 VanDerWaalsContact C-N 3.31Å; K54-F56 PolarHBondContact O-N 3.18Å; F56-L59 HydrophobicContact CD1-CD1 4.46Å; F56-A60 WeakPolarHBondContact O-CB 3.26Å; F56-A60 PolarHBondContact O-N 2.79Å; F56-L91 HydrophobicContact CE1-CD2 3.84Å; F56-L91 HydrophobicContact CE1-CG 4.36Å; F56-L91 HydrophobicContact CZ-CD2 4.03Å; F56-K143 HydrophobicContact CD2-CB 4.27Å; F56-K143 HydrophobicContact CD2-CD 4.39Å; F56-I144 HydrophobicContact CB-CD1 4.4Å; F56-I144 HydrophobicContact CB-CG1 3.67Å; F56-I144 HydrophobicContact CD1-CD1 3.79Å; F56-I144 HydrophobicContact CD1-CG1 4.01Å; F56-I144 HydrophobicContact CE1-CD1 4.39Å; F56-I144 HydrophobicContact CG-CD1 4.18Å; F56-I144 HydrophobicContact CG-CG1 3.87Å; F56-N147 PolarHBondContact O-ND2 2.72Å |
| 57 | E | 88 | Confident | 88.1 | Confident | 1 Ų | 1 | 22.9 Ų | 22.9 | 1% | 0.005 | 11% | 0.112 | C | C | . | . | H | α-helix | trans | -82.8 | -44.8 | 172.9 | -39.8 | -169.7 | 159 | 0 | 0 | 111.1 | N53 K54 T55 L59 A60 Q61 F157 R162 | N53-E57 VanDerWaalsContact O-CG 3.23Å; N53-E57 WeakPolarHBondContact O-CG 3.45Å; K54-E57 WeakPolarHBondContact CE-OE2 2.96Å; K54-E57 IonicContact NZ-OE2 3.3Å; K54-E57 PolarHBondContact NZ-OE2 2.81Å; K54-E57 WeakPolarHBondContact O-CB 3.4Å; K54-E57 PolarHBondContact O-N 3.09Å; K54-E57 VanDerWaalsContact O-N 3.08Å; T55-E57 PolarHBondContact O-N 2.8Å; E57-L59 PolarHBondContact O-N 3.39Å; E57-A60 CarbonylContact O-C 3.46Å; E57-A60 PolarHBondContact O-N 3.03Å; E57-A60 VanDerWaalsContact O-N 3.08Å; E57-Q61 WeakPolarHBondContact O-CB 3.32Å; E57-Q61 VanDerWaalsContact O-CG 3.29Å; E57-Q61 WeakPolarHBondContact O-CG 3.28Å; E57-Q61 PolarHBondContact O-N 3.03Å; E57-F157 HydrophobicContact CB-CD1 4.36Å; E57-F157 HydrophobicContact CB-CE1 3.74Å; E57-F157 HydrophobicContact CB-CE2 4.16Å; E57-F157 HydrophobicContact CB-CZ 3.54Å; E57-F157 HydrophobicContact CG-CD1 4.14Å; E57-F157 HydrophobicContact CG-CE1 3.34Å; E57-F157 HydrophobicContact CG-CZ 3.56Å; E57-F157 WeakPolarHBondContact OE1-CE1 3.34Å; E57-R162 IonicContact OE1-CZ 2.71Å; E57-R162 IonicContact OE1-NH1 3.64Å; E57-R162 PolarHBondContact OE1-NH1 3.06Å; E57-R162 IonicContact OE1-NH2 3.13Å; E57-R162 PolarHBondContact OE1-NH2 2.73Å |
| 58 | Y | 91.6 | Very high | 87.4 | Confident | 45 Ų | 45 | 22.9 Ų | 22.9 | 18% | 0.176 | 12% | 0.116 | C | C | . | . | H | α-helix | trans | -60.1 | -37.5 | 175.1 | -56.5 | -35.1 | 0 | 0 | 0 | 111.5 | L15 L18 I19 K54 T55 Q62 | L15-Y58 HydrophobicContact CD2-CD1 4.09Å; L15-Y58 HydrophobicContact CD2-CG 4.4Å; L18-Y58 HydrophobicContact CD2-CD1 4.06Å; L18-Y58 HydrophobicContact CD2-CD2 3.92Å; L18-Y58 HydrophobicContact CD2-CE1 3.73Å; L18-Y58 HydrophobicContact CD2-CE2 3.58Å; L18-Y58 HydrophobicContact CD2-CG 4.17Å; L18-Y58 VanDerWaalsContact CD2-CZ 3.48Å; L18-Y58 HydrophobicContact CG-CD2 4.02Å; L18-Y58 HydrophobicContact CG-CE2 3.76Å; I19-Y58 HydrophobicContact CG1-CD2 4.41Å; K54-Y58 HydrophobicContact CG-CE1 4.39Å; K54-Y58 HydrophobicContact CG-CE2 3.94Å; K54-Y58 WeakPolarHBondContact CG-OH 3.46Å; K54-Y58 PolarHBondContact O-N 3.48Å; T55-Y58 HydrophobicContact CG2-CD2 4.32Å; T55-Y58 PolarHBondContact O-N 3.28Å; Y58-Q62 VanDerWaalsContact O-CB 3.27Å; Y58-Q62 WeakPolarHBondContact O-CB 3.3Å; Y58-Q62 PolarHBondContact O-N 3.18Å |
| 59 | L | 92.4 | Very high | 86.7 | Confident | 0 Ų | 0 | 22.8 Ų | 22.8 | 0% | 0 | 12% | 0.116 | C | C | . | . | H | α-helix | trans | -63.8 | -45.5 | 171.4 | -73.5 | 167.7 | 0 | 0 | 0 | 112 | I19 T55 F56 E57 Q62 I63 C87 F109 I144 | I19-L59 HydrophobicContact CD1-CD2 3.79Å; I19-L59 HydrophobicContact CD1-CG 3.98Å; T55-L59 WeakPolarHBondContact O-CB 3.33Å; T55-L59 VanDerWaalsContact O-CG 3.32Å; T55-L59 WeakPolarHBondContact O-CG 3.31Å; T55-L59 PolarHBondContact O-N 3.09Å; F56-L59 HydrophobicContact CD1-CD1 4.46Å; E57-L59 PolarHBondContact O-N 3.39Å; L59-Q62 PolarHBondContact O-N 2.99Å; L59-I63 WeakPolarHBondContact O-CB 3.4Å; L59-I63 VanDerWaalsContact O-CG1 3.27Å; L59-I63 WeakPolarHBondContact O-CG1 3.48Å; L59-I63 PolarHBondContact O-N 3.43Å; L59-C87 HydrophobicContact CD2-CB 4.18Å; L59-C87 WeakPolarHBondContact CD2-SG 3.45Å; L59-F109 HydrophobicContact CD1-CZ 4.23Å; L59-F109 HydrophobicContact CD2-CE1 4.04Å; L59-F109 HydrophobicContact CD2-CZ 4.35Å; L59-I144 HydrophobicContact CD1-CD1 4.11Å |
| 60 | A | 90.1 | Very high | 85.8 | Confident | 0 Ų | 0 | 23 Ų | 23 | 0% | 0 | 12% | 0.12 | C | C | . | . | H | α-helix | trans | -64.5 | -40.6 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.6 | F56 E57 I63 S64 N147 I148 I151 F157 | F56-A60 WeakPolarHBondContact O-CB 3.26Å; F56-A60 PolarHBondContact O-N 2.79Å; E57-A60 CarbonylContact O-C 3.46Å; E57-A60 PolarHBondContact O-N 3.03Å; E57-A60 VanDerWaalsContact O-N 3.08Å; A60-I63 PolarHBondContact O-N 3.26Å; A60-S64 VanDerWaalsContact O-CB 3.28Å; A60-S64 WeakPolarHBondContact O-CB 3.41Å; A60-S64 PolarHBondContact O-N 2.97Å; A60-N147 HydrophobicContact CB-CB 3.51Å; A60-I148 HydrophobicContact CB-CG1 3.75Å; A60-I151 VanDerWaalsContact C-CD1 3.47Å; A60-I151 HydrophobicContact CB-CD1 3.8Å; A60-I151 WeakPolarHBondContact O-CD1 3.37Å; A60-F157 HydrophobicContact CB-CE2 4.23Å |
| 61 | Q | 87.7 | Confident | 85.1 | Confident | 53 Ų | 53 | 22.6 Ų | 22.6 | 25% | 0.248 | 12% | 0.116 | C | C | . | . | H | α-helix | trans | -65.1 | -41.1 | 174.9 | -70.8 | 173.7 | 12 | 0 | 0 | 111.6 | L15 E57 S64 A65 I151 | L15-Q61 HydrophobicContact CD1-CB 3.85Å; E57-Q61 WeakPolarHBondContact O-CB 3.32Å; E57-Q61 VanDerWaalsContact O-CG 3.29Å; E57-Q61 WeakPolarHBondContact O-CG 3.28Å; E57-Q61 PolarHBondContact O-N 3.03Å; Q61-S64 PolarHBondContact O-N 2.93Å; Q61-A65 VanDerWaalsContact O-CB 3.3Å; Q61-A65 WeakPolarHBondContact O-CB 3.49Å; Q61-A65 PolarHBondContact O-N 3.26Å; Q61-I151 HydrophobicContact CB-CD1 4.49Å; Q61-I151 HydrophobicContact CG-CD1 3.94Å |
| 62 | Q | 89.9 | Confident | 84.3 | Confident | 0 Ų | 0 | 28.5 Ų | 28.5 | 0% | 0 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -65 | -43.7 | 175.9 | -170 | -173.3 | 59 | 0 | 0 | 111.2 | C12 L15 Y58 L59 A65 I66 | C12-Q62 HydrophobicContact CB-CG 4.03Å; C12-Q62 PolarHBondContact O-NE2 3.48Å; L15-Q62 HydrophobicContact CB-CB 4.36Å; L15-Q62 HydrophobicContact CD1-CB 3.93Å; Y58-Q62 VanDerWaalsContact O-CB 3.27Å; Y58-Q62 WeakPolarHBondContact O-CB 3.3Å; Y58-Q62 PolarHBondContact O-N 3.18Å; L59-Q62 PolarHBondContact O-N 2.99Å; Q62-A65 PolarHBondContact O-N 3.02Å; Q62-I66 HydrophobicContact CG-CD1 4.42Å; Q62-I66 WeakPolarHBondContact O-CD1 3.28Å; Q62-I66 VanDerWaalsContact O-CG1 3.3Å; Q62-I66 WeakPolarHBondContact O-CG1 3.47Å; Q62-I66 PolarHBondContact O-N 3.12Å |
| 63 | I | 86.7 | Confident | 83.5 | Confident | 8 Ų | 8 | 29.7 Ų | 29.7 | 4% | 0.041 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -65.6 | -41 | 175.8 | -68 | 165.3 | 0 | 0 | 0 | 111.2 | L59 A60 I66 C67 F109 L110 L113 I144 I148 | L59-I63 WeakPolarHBondContact O-CB 3.4Å; L59-I63 VanDerWaalsContact O-CG1 3.27Å; L59-I63 WeakPolarHBondContact O-CG1 3.48Å; L59-I63 PolarHBondContact O-N 3.43Å; A60-I63 PolarHBondContact O-N 3.26Å; I63-I66 PolarHBondContact O-N 2.98Å; I63-C67 WeakPolarHBondContact O-CB 3.14Å; I63-C67 PolarHBondContact O-N 2.89Å; I63-C67 PolarHBondContact O-SG 2.9Å; I63-F109 HydrophobicContact CD1-CE1 3.99Å; I63-L110 HydrophobicContact CD1-CD2 4.07Å; I63-L110 HydrophobicContact CG1-CD2 4.02Å; I63-L113 HydrophobicContact CD1-CD2 3.6Å; I63-I144 HydrophobicContact CD1-CG2 4.43Å; I63-I148 HydrophobicContact CB-CD1 4.1Å; I63-I148 HydrophobicContact CB-CG1 4.44Å; I63-I148 HydrophobicContact CD1-CD1 3.87Å; I63-I148 HydrophobicContact CG2-CD1 3.77Å; I63-I148 HydrophobicContact CG2-CG1 4.31Å |
| 64 | S | 82.3 | Confident | 82.6 | Confident | 4 Ų | 4 | 29.7 Ų | 29.7 | 3% | 0.028 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -65.8 | -40.1 | 176.7 | -168.8 | 0 | 0 | 0 | 0 | 111.8 | A60 Q61 C67 N68 I151 | A60-S64 VanDerWaalsContact O-CB 3.28Å; A60-S64 WeakPolarHBondContact O-CB 3.41Å; A60-S64 PolarHBondContact O-N 2.97Å; Q61-S64 PolarHBondContact O-N 2.93Å; S64-C67 CarbonylContact O-C 3.56Å; S64-C67 WeakPolarHBondContact O-CA 3.45Å; S64-C67 PolarHBondContact O-N 3.47Å; S64-C67 VanDerWaalsContact O-N 3.09Å; S64-N68 WeakPolarHBondContact O-CB 3.33Å; S64-N68 VanDerWaalsContact O-CG 3.32Å; S64-N68 PolarHBondContact O-N 3.34Å; S64-N68 PolarHBondContact O-ND2 3.17Å; S64-N68 PolarHBondContact OG-ND2 3.13Å; S64-I151 VanDerWaalsContact OG-CG2 3.23Å; S64-I151 WeakPolarHBondContact OG-CG2 3.44Å |
| 65 | A | 81.7 | Confident | 82 | Confident | 15 Ų | 15 | 29.9 Ų | 29.9 | 12% | 0.124 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -63.9 | -39.4 | 174 | 0 | 0 | 0 | 0 | 0 | 112.5 | F11 Q61 Q62 C67 N68 A69 | F11-A65 HydrophobicContact CD1-CB 3.73Å; F11-A65 HydrophobicContact CE1-CB 4.07Å; Q61-A65 VanDerWaalsContact O-CB 3.3Å; Q61-A65 WeakPolarHBondContact O-CB 3.49Å; Q61-A65 PolarHBondContact O-N 3.26Å; Q62-A65 PolarHBondContact O-N 3.02Å; A65-C67 VanDerWaalsContact C-N 3.31Å; A65-N68 PolarHBondContact O-N 2.94Å; A65-A69 PolarHBondContact O-N 3.14Å |
| 66 | I | 81.3 | Confident | 81.4 | Confident | 4 Ų | 4 | 32 Ų | 32 | 2% | 0.021 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -61 | -41.6 | 169.2 | -69.2 | 162.4 | 0 | 0 | 0 | 110.8 | Q62 I63 N68 I77 L78 | Q62-I66 HydrophobicContact CG-CD1 4.42Å; Q62-I66 WeakPolarHBondContact O-CD1 3.28Å; Q62-I66 VanDerWaalsContact O-CG1 3.3Å; Q62-I66 WeakPolarHBondContact O-CG1 3.47Å; Q62-I66 PolarHBondContact O-N 3.12Å; I63-I66 PolarHBondContact O-N 2.98Å; I66-N68 PolarHBondContact O-N 3.13Å; I66-I77 HydrophobicContact CD1-CG2 3.76Å; I66-I77 HydrophobicContact CG1-CB 4.24Å; I66-I77 HydrophobicContact CG1-CG2 3.5Å; I66-I77 VanDerWaalsContact CG1-CG2 3.5Å; I66-L78 HydrophobicContact CD1-CD2 4.36Å; I66-L78 HydrophobicContact CG2-CD1 4.12Å; I66-L78 HydrophobicContact CG2-CD2 3.96Å; I66-L78 HydrophobicContact CG2-CG 3.9Å |
| 67 | C | 76.8 | Confident | 80.9 | Confident | 1 Ų | 1 | 31.7 Ų | 31.7 | 1% | 0.007 | 17% | 0.173 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -76.1 | 2.1 | 177.9 | -66.8 | 0 | 0 | 0 | 0 | 114.9 | I63 S64 A65 F579 K581 | I63-C67 WeakPolarHBondContact O-CB 3.14Å; I63-C67 PolarHBondContact O-N 2.89Å; I63-C67 PolarHBondContact O-SG 2.9Å; S64-C67 CarbonylContact O-C 3.56Å; S64-C67 WeakPolarHBondContact O-CA 3.45Å; S64-C67 PolarHBondContact O-N 3.47Å; S64-C67 VanDerWaalsContact O-N 3.09Å; A65-C67 VanDerWaalsContact C-N 3.31Å; C67-F579 HydrophobicContact CB-CD1 4.16Å; C67-F579 HydrophobicContact CB-CE1 3.8Å; C67-F579 HydrophobicContact CB-CZ 4.02Å; C67-F579 VanDerWaalsContact O-CB 3.24Å; C67-F579 WeakPolarHBondContact O-CB 3.48Å; C67-F579 WeakPolarHBondContact O-CD1 3.31Å; C67-F579 WeakPolarHBondContact O-CG 3.44Å; C67-K581 HydrophobicContact CB-CD 4.1Å; C67-K581 PolarHBondContact SG-NZ 2.69Å; C67-K581 VanDerWaalsContact SG-NZ 3.35Å |
| 68 | N | 73.7 | Confident | 80.7 | Confident | 102 Ų | 102 | 34.2 Ų | 34.2 | 55% | 0.545 | 19% | 0.187 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -127.4 | 4 | 179.2 | -71.5 | -39.9 | 0 | 0 | 0 | 112.7 | S64 A65 I66 | S64-N68 WeakPolarHBondContact O-CB 3.33Å; S64-N68 VanDerWaalsContact O-CG 3.32Å; S64-N68 PolarHBondContact O-N 3.34Å; S64-N68 PolarHBondContact O-ND2 3.17Å; S64-N68 PolarHBondContact OG-ND2 3.13Å; A65-N68 PolarHBondContact O-N 2.94Å; I66-N68 PolarHBondContact O-N 3.13Å |
| 69 | A | 73 | Confident | 80.2 | Confident | 7 Ų | 7 | 42.2 Ų | 42.2 | 6% | 0.058 | 22% | 0.217 | C | C | . | . | S | Bend | trans | -87.1 | 159.8 | 172.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | P8 A65 T73 A74 I77 | P8-A69 HydrophobicContact CB-CB 4.06Å; P8-A69 HydrophobicContact CG-CB 4.3Å; A65-A69 PolarHBondContact O-N 3.14Å; A69-T73 HydrophobicContact CB-CG2 4.15Å; A69-A74 HydrophobicContact CB-CB 4.24Å; A69-I77 HydrophobicContact CB-CD1 4.5Å |
| 70 | D | 72.6 | Confident | 79.7 | Confident | 87 Ų | 87 | 46.5 Ų | 46.5 | 47% | 0.465 | 24% | 0.237 | S | C | . | . | trans | -61.1 | 157.1 | 166.8 | 53.8 | -78.7 | 0 | 0 | 0 | 112.2 | D72 T73 A74 | D70-D72 VanDerWaalsContact C-N 3.32Å; D70-D72 PolarHBondContact O-N 3.37Å; D70-T73 VanDerWaalsContact CG-CB 3.49Å; D70-T73 VanDerWaalsContact CG-OG1 3.25Å; D70-T73 PolarHBondContact O-N 3.35Å; D70-T73 VanDerWaalsContact OD1-CB 3.29Å; D70-T73 WeakPolarHBondContact OD1-CB 3.5Å; D70-T73 PolarHBondContact OD1-OG1 3.32Å; D70-T73 VanDerWaalsContact OD1-OG1 3.05Å; D70-T73 WeakPolarHBondContact OD2-CB 3.48Å; D70-T73 PolarHBondContact OD2-N 2.9Å; D70-T73 PolarHBondContact OD2-OG1 3.15Å; D70-A74 VanDerWaalsContact O-CB 3.27Å; D70-A74 WeakPolarHBondContact O-CB 3.48Å; D70-A74 PolarHBondContact O-N 3.37Å | ||
| 71 | E | 69.7 | Low | 79.6 | Confident | 62 Ų | 62 | 47.4 Ų | 47.4 | 29% | 0.29 | 24% | 0.24 | S | C | . | . | H | α-helix | trans | -57.3 | -41.4 | -173.8 | -178.3 | 168.1 | -173.8 | 0 | 0 | 112.7 | N75 K575 | E71-N75 WeakPolarHBondContact CG-ND2 3.32Å; E71-N75 VanDerWaalsContact O-CB 3.25Å; E71-N75 WeakPolarHBondContact O-CB 3.33Å; E71-N75 PolarHBondContact O-N 3.32Å; E71-N75 PolarHBondContact O-ND2 3.06Å; E71-K575 WeakPolarHBondContact OE1-CD 3.25Å |
| 72 | D | 73.2 | Confident | 79.6 | Confident | 137 Ų | 137 | 45.5 Ų | 45.5 | 73% | 0.733 | 23% | 0.232 | S | C | * | . | H | α-helix | trans | -68.6 | -44.9 | -179 | -76.7 | -43.2 | 0 | 0 | 0 | 111.7 | D70 N75 A76 | D70-D72 VanDerWaalsContact C-N 3.32Å; D70-D72 PolarHBondContact O-N 3.37Å; D72-N75 PolarHBondContact O-N 2.83Å; D72-A76 WeakPolarHBondContact O-CB 3.34Å; D72-A76 PolarHBondContact O-N 3.41Å |
| 73 | T | 74.9 | Confident | 79.7 | Confident | 36 Ų | 36 | 49.9 Ų | 49.9 | 22% | 0.221 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -67.1 | -40.7 | 175.9 | -60.3 | 0 | 0 | 0 | 0 | 111.8 | P8 A69 D70 A76 I77 | P8-T73 HydrophobicContact CB-CG2 4.21Å; P8-T73 HydrophobicContact CG-CG2 4.47Å; A69-T73 HydrophobicContact CB-CG2 4.15Å; D70-T73 VanDerWaalsContact CG-CB 3.49Å; D70-T73 VanDerWaalsContact CG-OG1 3.25Å; D70-T73 PolarHBondContact O-N 3.35Å; D70-T73 VanDerWaalsContact OD1-CB 3.29Å; D70-T73 WeakPolarHBondContact OD1-CB 3.5Å; D70-T73 PolarHBondContact OD1-OG1 3.32Å; D70-T73 VanDerWaalsContact OD1-OG1 3.05Å; D70-T73 WeakPolarHBondContact OD2-CB 3.48Å; D70-T73 PolarHBondContact OD2-N 2.9Å; D70-T73 PolarHBondContact OD2-OG1 3.15Å; T73-A76 WeakPolarHBondContact O-CB 3.42Å; T73-A76 PolarHBondContact O-N 2.77Å; T73-A76 VanDerWaalsContact O-N 3.17Å; T73-I77 HydrophobicContact CG2-CD1 3.88Å; T73-I77 HydrophobicContact CG2-CG1 4.38Å; T73-I77 VanDerWaalsContact O-CG1 3.25Å; T73-I77 WeakPolarHBondContact O-CG1 3.49Å; T73-I77 PolarHBondContact O-N 3.46Å |
| 74 | A | 73.8 | Confident | 79.9 | Confident | 0 Ų | 0 | 50.8 Ų | 50.8 | 0% | 0 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -61.4 | -46.4 | 175.1 | 0 | 0 | 0 | 0 | 0 | 111.4 | A69 D70 A76 I77 L78 | A69-A74 HydrophobicContact CB-CB 4.24Å; D70-A74 VanDerWaalsContact O-CB 3.27Å; D70-A74 WeakPolarHBondContact O-CB 3.48Å; D70-A74 PolarHBondContact O-N 3.37Å; A74-A76 VanDerWaalsContact C-N 3.27Å; A74-A76 PolarHBondContact O-N 3.26Å; A74-I77 PolarHBondContact O-N 3.23Å; A74-L78 WeakPolarHBondContact O-CB 3.21Å; A74-L78 VanDerWaalsContact O-CG 3.31Å; A74-L78 WeakPolarHBondContact O-CG 3.27Å; A74-L78 PolarHBondContact O-N 3.37Å |
| 75 | N | 75.2 | Confident | 80.3 | Confident | 58 Ų | 58 | 54.1 Ų | 54.1 | 31% | 0.31 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -65.5 | -25.7 | 174.3 | -80.9 | -62.8 | 0 | 0 | 0 | 113.4 | E71 D72 R79 | E71-N75 WeakPolarHBondContact CG-ND2 3.32Å; E71-N75 VanDerWaalsContact O-CB 3.25Å; E71-N75 WeakPolarHBondContact O-CB 3.33Å; E71-N75 PolarHBondContact O-N 3.32Å; E71-N75 PolarHBondContact O-ND2 3.06Å; D72-N75 PolarHBondContact O-N 2.83Å; N75-R79 WeakPolarHBondContact O-CG 3.49Å; N75-R79 PolarHBondContact O-NE 2.81Å |
| 76 | A | 81 | Confident | 80.8 | Confident | 45 Ų | 45 | 53.9 Ų | 53.9 | 37% | 0.372 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -75.4 | -44.2 | 172.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | D72 T73 A74 R79 | D72-A76 WeakPolarHBondContact O-CB 3.34Å; D72-A76 PolarHBondContact O-N 3.41Å; T73-A76 WeakPolarHBondContact O-CB 3.42Å; T73-A76 PolarHBondContact O-N 2.77Å; T73-A76 VanDerWaalsContact O-N 3.17Å; A74-A76 VanDerWaalsContact C-N 3.27Å; A74-A76 PolarHBondContact O-N 3.26Å; A76-R79 PolarHBondContact O-N 3.31Å |
| 77 | I | 83 | Confident | 81.4 | Confident | 0 Ų | 0 | 53.7 Ų | 53.7 | 0% | 0 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -62.7 | -46.7 | 176.8 | -63.3 | 162.1 | 0 | 0 | 0 | 110.6 | P8 Y9 C12 I66 A69 T73 A74 R79 E80 Y81 | P8-I77 HydrophobicContact CB-CD1 4.19Å; Y9-I77 HydrophobicContact CD2-CG1 3.8Å; Y9-I77 HydrophobicContact CG-CG1 4.31Å; C12-I77 HydrophobicContact CB-CD1 4.45Å; C12-I77 HydrophobicContact CB-CG2 3.73Å; I66-I77 HydrophobicContact CD1-CG2 3.76Å; I66-I77 HydrophobicContact CG1-CB 4.24Å; I66-I77 HydrophobicContact CG1-CG2 3.5Å; I66-I77 VanDerWaalsContact CG1-CG2 3.5Å; A69-I77 HydrophobicContact CB-CD1 4.5Å; T73-I77 HydrophobicContact CG2-CD1 3.88Å; T73-I77 HydrophobicContact CG2-CG1 4.38Å; T73-I77 VanDerWaalsContact O-CG1 3.25Å; T73-I77 WeakPolarHBondContact O-CG1 3.49Å; T73-I77 PolarHBondContact O-N 3.46Å; A74-I77 PolarHBondContact O-N 3.23Å; I77-R79 PolarHBondContact O-N 3.16Å; I77-E80 PolarHBondContact O-N 3.17Å; I77-Y81 HydrophobicContact CG2-CD2 4.02Å; I77-Y81 HydrophobicContact CG2-CG 4.49Å; I77-Y81 PolarHBondContact O-N 3.28Å |
| 78 | L | 84.2 | Confident | 82.2 | Confident | 54 Ų | 54 | 53.7 Ų | 53.7 | 28% | 0.283 | 27% | 0.27 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -62.8 | -9 | -176.9 | -77.1 | 169.6 | 0 | 0 | 0 | 115 | I66 A74 Y81 L110 F576 | I66-L78 HydrophobicContact CD1-CD2 4.36Å; I66-L78 HydrophobicContact CG2-CD1 4.12Å; I66-L78 HydrophobicContact CG2-CD2 3.96Å; I66-L78 HydrophobicContact CG2-CG 3.9Å; A74-L78 WeakPolarHBondContact O-CB 3.21Å; A74-L78 VanDerWaalsContact O-CG 3.31Å; A74-L78 WeakPolarHBondContact O-CG 3.27Å; A74-L78 PolarHBondContact O-N 3.37Å; L78-Y81 WeakPolarHBondContact CA-O 3.28Å; L78-L110 HydrophobicContact CD2-CD1 3.6Å; L78-F576 HydrophobicContact CD1-CB 3.98Å; L78-F576 HydrophobicContact CD1-CD1 4.33Å; L78-F576 HydrophobicContact CD1-CG 4.17Å |
| 79 | R | 81.2 | Confident | 83.1 | Confident | 214 Ų | 214 | 51.4 Ų | 51.4 | 81% | 0.808 | 25% | 0.253 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82 | -19.6 | 171.7 | -68.1 | 171.9 | -169.9 | -161.8 | 2.3 | 113.6 | N75 A76 I77 | N75-R79 WeakPolarHBondContact O-CG 3.49Å; N75-R79 PolarHBondContact O-NE 2.81Å; A76-R79 PolarHBondContact O-N 3.31Å; I77-R79 PolarHBondContact O-N 3.16Å |
| 80 | E | 82.6 | Confident | 84 | Confident | 90 Ų | 90 | 51.1 Ų | 51.1 | 42% | 0.421 | 25% | 0.251 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -124.3 | -27.1 | -175.8 | -68.3 | -173.9 | 170.1 | 0 | 0 | 113.5 | Y9 I77 K83 | Y9-E80 PolarHBondContact OH-OE2 3.19Å; I77-E80 PolarHBondContact O-N 3.17Å; E80-K83 VanDerWaalsContact O-CG 3.29Å; E80-K83 WeakPolarHBondContact O-CG 3.47Å |
| 81 | Y | 88.2 | Confident | 84.9 | Confident | 19 Ų | 19 | 47 Ų | 47 | 8% | 0.075 | 23% | 0.229 | C | C | . | . | trans | -140.9 | 143.4 | -170.1 | -44.9 | -72 | 0 | 0 | 0 | 111.4 | Y9 K13 Q16 I77 L78 | Y9-Y81 AromaticContact CE2-CE2 3.87Å; Y9-Y81 HydrophobicContact CE2-CE2 3.87Å; K13-Y81 HydrophobicContact CB-CE2 4.25Å; Q16-Y81 HydrophobicContact CB-CD1 3.53Å; Q16-Y81 HydrophobicContact CB-CE1 3.74Å; Q16-Y81 HydrophobicContact CG-CD1 3.54Å; Q16-Y81 HydrophobicContact CG-CE1 3.78Å; I77-Y81 HydrophobicContact CG2-CD2 4.02Å; I77-Y81 HydrophobicContact CG2-CG 4.49Å; I77-Y81 PolarHBondContact O-N 3.28Å; L78-Y81 WeakPolarHBondContact CA-O 3.28Å | ||
| 82 | P | 87.3 | Confident | 85.8 | Confident | 12 Ų | 12 | 45.8 Ų | 45.8 | 8% | 0.078 | 23% | 0.233 | C | C | . | . | S | Bend | cis | -72.2 | 137.3 | -3.7 | 28.8 | -35 | 0 | 0 | 0 | 112.8 | S84 F109 L110 | P82-S84 PolarHBondContact O-N 2.89Å; P82-F109 HydrophobicContact CB-CD1 4.04Å; P82-F109 HydrophobicContact CB-CE1 4.4Å; P82-F109 HydrophobicContact CG-CD1 3.86Å; P82-F109 HydrophobicContact CG-CE1 4.39Å; P82-L110 HydrophobicContact CG-CD1 4.13Å; P82-L110 HydrophobicContact CG-CD2 3.96Å; P82-L110 HydrophobicContact CG-CG 3.81Å |
| 83 | K | 91 | Very high | 86.6 | Confident | 92 Ų | 92 | 39.8 Ų | 39.8 | 40% | 0.4 | 20% | 0.201 | S | C | . | . | trans | -69.9 | 94.3 | 175.4 | -72 | -173.3 | 178.6 | 179.2 | 0 | 110.4 | Q16 I20 E80 E85 V86 C87 | Q16-K83 HydrophobicContact CG-CD 4.13Å; Q16-K83 HydrophobicContact CG-CG 4.24Å; I20-K83 HydrophobicContact CD1-CD 4.33Å; E80-K83 VanDerWaalsContact O-CG 3.29Å; E80-K83 WeakPolarHBondContact O-CG 3.47Å; K83-E85 VanDerWaalsContact C-N 3.29Å; K83-E85 PolarHBondContact O-N 3.23Å; K83-E85 VanDerWaalsContact O-N 3.13Å; K83-V86 HydrophobicContact CB-CB 4.44Å; K83-V86 HydrophobicContact CB-CG2 4.12Å; K83-V86 PolarHBondContact O-N 2.95Å; K83-C87 PolarHBondContact O-N 3.37Å; K83-C87 VanDerWaalsContact O-N 3.14Å; K83-C87 PolarHBondContact O-SG 2.97Å | ||
| 84 | S | 91.5 | Very high | 87.3 | Confident | 28 Ų | 28 | 41.1 Ų | 41.1 | 20% | 0.196 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -52.8 | -40.1 | -168 | -66.7 | 0 | 0 | 0 | 0 | 114.4 | P82 V86 C87 F88 F109 | P82-S84 PolarHBondContact O-N 2.89Å; S84-V86 PolarHBondContact O-N 3.5Å; S84-C87 WeakPolarHBondContact O-CB 3.4Å; S84-C87 PolarHBondContact O-N 2.98Å; S84-F88 VanDerWaalsContact O-CD2 3.25Å; S84-F88 WeakPolarHBondContact O-CD2 3.32Å; S84-F88 VanDerWaalsContact O-CG 3.3Å; S84-F88 WeakPolarHBondContact O-CG 3.23Å; S84-F88 PolarHBondContact O-N 3.49Å; S84-F109 WeakPolarHBondContact OG-CB 3.45Å; S84-F109 PolarHBondContact OG-N 3.01Å |
| 85 | E | 91.5 | Very high | 88 | Confident | 73 Ų | 73 | 45.5 Ų | 45.5 | 34% | 0.341 | 23% | 0.23 | S | C | . | . | H | α-helix | trans | -57.5 | -47.6 | 176.9 | -165.5 | -171 | 113.6 | 0 | 0 | 112.6 | K83 C87 F88 R89 I98 L102 | K83-E85 VanDerWaalsContact C-N 3.29Å; K83-E85 PolarHBondContact O-N 3.23Å; K83-E85 VanDerWaalsContact O-N 3.13Å; E85-C87 VanDerWaalsContact C-N 3.32Å; E85-C87 PolarHBondContact O-N 3.39Å; E85-F88 PolarHBondContact O-N 2.98Å; E85-R89 PolarHBondContact O-N 2.83Å; E85-R89 IonicContact OE1-CZ 2.69Å; E85-R89 IonicContact OE1-NE 2.65Å; E85-R89 IonicContact OE1-NH2 2.72Å; E85-R89 PolarHBondContact OE1-NH2 2.95Å; E85-I98 HydrophobicContact CB-CG2 4.47Å; E85-I98 HydrophobicContact CG-CG2 3.77Å; E85-L102 HydrophobicContact CB-CD1 4.1Å; E85-L102 HydrophobicContact CG-CD1 4.44Å |
| 86 | V | 92.2 | Very high | 88.6 | Confident | 11 Ų | 11 | 49.5 Ų | 49.5 | 7% | 0.067 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -66.9 | -36.6 | 178 | -173.5 | 0 | 0 | 0 | 0 | 110.7 | I19 I20 E23 K83 S84 R89 C90 | I19-V86 HydrophobicContact CG2-CG1 4.05Å; I20-V86 HydrophobicContact CG1-CG1 4.05Å; I20-V86 HydrophobicContact CG1-CG2 4.25Å; E23-V86 HydrophobicContact CB-CG1 4.39Å; K83-V86 HydrophobicContact CB-CB 4.44Å; K83-V86 HydrophobicContact CB-CG2 4.12Å; K83-V86 PolarHBondContact O-N 2.95Å; S84-V86 PolarHBondContact O-N 3.5Å; V86-R89 PolarHBondContact O-N 2.87Å; V86-C90 PolarHBondContact O-N 2.85Å; V86-C90 PolarHBondContact O-SG 3.26Å |
| 87 | C | 92.5 | Very high | 89 | Confident | 0 Ų | 0 | 47.6 Ų | 47.6 | 0% | 0 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -66.4 | -38.4 | 178.9 | -53.9 | 0 | 0 | 0 | 0 | 111.7 | L59 K83 S84 E85 C90 L91 F109 | L59-C87 HydrophobicContact CD2-CB 4.18Å; L59-C87 WeakPolarHBondContact CD2-SG 3.45Å; K83-C87 PolarHBondContact O-N 3.37Å; K83-C87 VanDerWaalsContact O-N 3.14Å; K83-C87 PolarHBondContact O-SG 2.97Å; S84-C87 WeakPolarHBondContact O-CB 3.4Å; S84-C87 PolarHBondContact O-N 2.98Å; E85-C87 VanDerWaalsContact C-N 3.32Å; E85-C87 PolarHBondContact O-N 3.39Å; C87-C90 WeakPolarHBondContact O-CB 3.47Å; C87-C90 PolarHBondContact O-N 3.37Å; C87-L91 PolarHBondContact O-N 3.4Å; C87-L91 VanDerWaalsContact O-N 3.16Å; C87-F109 HydrophobicContact CB-CB 4.01Å; C87-F109 HydrophobicContact CB-CD1 3.58Å; C87-F109 HydrophobicContact CB-CD2 3.63Å; C87-F109 HydrophobicContact CB-CE1 3.88Å; C87-F109 HydrophobicContact CB-CE2 3.94Å; C87-F109 HydrophobicContact CB-CG 3.45Å; C87-F109 VanDerWaalsContact CB-CG 3.45Å; C87-F109 HydrophobicContact CB-CZ 4.05Å |
| 88 | F | 93.2 | Very high | 89.3 | Confident | 0 Ų | 0 | 47.6 Ų | 47.6 | 0% | 0 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -70.2 | -38.9 | 173.8 | -63.1 | -37.6 | 0 | 0 | 0 | 112.3 | S84 E85 C90 L91 G92 I93 I98 L101 L102 F109 L112 | S84-F88 VanDerWaalsContact O-CD2 3.25Å; S84-F88 WeakPolarHBondContact O-CD2 3.32Å; S84-F88 VanDerWaalsContact O-CG 3.3Å; S84-F88 WeakPolarHBondContact O-CG 3.23Å; S84-F88 PolarHBondContact O-N 3.49Å; E85-F88 PolarHBondContact O-N 2.98Å; F88-C90 VanDerWaalsContact C-N 3.32Å; F88-C90 PolarHBondContact O-N 3.26Å; F88-L91 PolarHBondContact O-N 2.92Å; F88-G92 PolarHBondContact O-N 3.22Å; F88-I93 HydrophobicContact CB-CB 4.28Å; F88-I93 HydrophobicContact CB-CD1 4.06Å; F88-I93 HydrophobicContact CB-CG1 4.48Å; F88-I93 HydrophobicContact CD1-CD1 3.88Å; F88-I93 HydrophobicContact CG-CD1 4.2Å; F88-I93 PolarHBondContact O-N 2.81Å; F88-I93 VanDerWaalsContact O-N 3.12Å; F88-I98 HydrophobicContact CB-CD1 3.61Å; F88-I98 HydrophobicContact CB-CG1 3.6Å; F88-I98 HydrophobicContact CD2-CG1 4.39Å; F88-I98 HydrophobicContact CD2-CG2 4.26Å; F88-I98 HydrophobicContact CG-CG1 4.42Å; F88-L101 HydrophobicContact CE2-CB 4.45Å; F88-L101 HydrophobicContact CE2-CD1 4.46Å; F88-L101 HydrophobicContact CZ-CD1 4.43Å; F88-L102 HydrophobicContact CD2-CD1 4.47Å; F88-L102 HydrophobicContact CD2-CG 4.39Å; F88-L102 HydrophobicContact CE2-CD1 4.5Å; F88-L102 HydrophobicContact CE2-CD2 3.84Å; F88-L102 HydrophobicContact CE2-CG 3.98Å; F88-F109 HydrophobicContact CD1-CB 4.38Å; F88-F109 HydrophobicContact CD1-CD2 4.1Å; F88-F109 HydrophobicContact CE1-CB 3.84Å; F88-F109 AromaticContact CE1-CD2 3.96Å; F88-F109 HydrophobicContact CE1-CD2 3.96Å; F88-F109 HydrophobicContact CE1-CG 4.41Å; F88-F109 HydrophobicContact CZ-CB 4.02Å; F88-L112 HydrophobicContact CD1-CD2 4.1Å; F88-L112 HydrophobicContact CE1-CB 3.95Å; F88-L112 HydrophobicContact CE1-CD2 3.55Å; F88-L112 HydrophobicContact CE1-CG 4.31Å; F88-L112 HydrophobicContact CZ-CB 4.36Å; F88-L112 HydrophobicContact CZ-CD2 4.46Å |
| 89 | R | 92.6 | Very high | 89.6 | Confident | 55 Ų | 55 | 47.3 Ų | 47.3 | 21% | 0.208 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -59.5 | -41.4 | 170.2 | -76.5 | -166.9 | -108.9 | 140.3 | -12.9 | 111.8 | E23 R31 E85 V86 L91 G92 I98 | E23-R89 HydrophobicContact CG-CB 4.1Å; E23-R89 IonicContact OE2-CZ 3.41Å; E23-R89 IonicContact OE2-NE 3.35Å; E23-R89 IonicContact OE2-NH1 2.68Å; E23-R89 PolarHBondContact OE2-NH1 3.02Å; R31-R89 PolarHBondContact NH1-O 3.09Å; E85-R89 PolarHBondContact O-N 2.83Å; E85-R89 IonicContact OE1-CZ 2.69Å; E85-R89 IonicContact OE1-NE 2.65Å; E85-R89 IonicContact OE1-NH2 2.72Å; E85-R89 PolarHBondContact OE1-NH2 2.95Å; V86-R89 PolarHBondContact O-N 2.87Å; R89-L91 VanDerWaalsContact C-N 3.33Å; R89-L91 PolarHBondContact O-N 2.88Å; R89-G92 PolarHBondContact O-N 2.97Å; R89-G92 VanDerWaalsContact O-N 3.07Å; R89-I98 HydrophobicContact CB-CD1 4.47Å; R89-I98 HydrophobicContact CG-CD1 3.66Å |
| 90 | C | 92.4 | Very high | 89.8 | Confident | 0 Ų | 0 | 37.3 Ų | 37.3 | 0% | 0 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -58.5 | -43.6 | 174 | -65.2 | 0 | 0 | 0 | 0 | 111.8 | R31 V86 C87 F88 G92 | R31-C90 PolarHBondContact NH2-O 2.89Å; V86-C90 PolarHBondContact O-N 2.85Å; V86-C90 PolarHBondContact O-SG 3.26Å; C87-C90 WeakPolarHBondContact O-CB 3.47Å; C87-C90 PolarHBondContact O-N 3.37Å; F88-C90 VanDerWaalsContact C-N 3.32Å; F88-C90 PolarHBondContact O-N 3.26Å; C90-G92 PolarHBondContact O-N 3.27Å; C90-G92 VanDerWaalsContact O-N 3.14Å |
| 91 | L | 92 | Very high | 90.2 | Very high | 0 Ų | 0 | 33 Ų | 33 | 0% | 0 | 18% | 0.176 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -67.9 | -2.8 | 175.8 | -77.7 | 170.5 | 0 | 0 | 0 | 115.2 | F56 C87 F88 R89 I93 F109 H136 V137 L141 I144 | F56-L91 HydrophobicContact CE1-CD2 3.84Å; F56-L91 HydrophobicContact CE1-CG 4.36Å; F56-L91 HydrophobicContact CZ-CD2 4.03Å; C87-L91 PolarHBondContact O-N 3.4Å; C87-L91 VanDerWaalsContact O-N 3.16Å; F88-L91 PolarHBondContact O-N 2.92Å; R89-L91 VanDerWaalsContact C-N 3.33Å; R89-L91 PolarHBondContact O-N 2.88Å; L91-I93 HydrophobicContact CB-CD1 4.48Å; L91-I93 HydrophobicContact CB-CG1 4.2Å; L91-F109 HydrophobicContact CD1-CD2 4.34Å; L91-F109 HydrophobicContact CD1-CE2 3.94Å; L91-H136 PolarHBondContact O-CD2 2.75Å; L91-V137 WeakPolarHBondContact O-CG2 3.43Å; L91-L141 HydrophobicContact CD1-CD2 3.73Å; L91-L141 HydrophobicContact CD1-CG 4.07Å; L91-L141 HydrophobicContact CD2-CG 4.34Å; L91-I144 HydrophobicContact CD2-CD1 4Å; L91-I144 HydrophobicContact CG-CD1 4.45Å |
| 92 | G | 89.1 | Confident | 90.2 | Very high | 37 Ų | 37 | 34.4 Ų | 34.4 | 38% | 0.381 | 18% | 0.184 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 85.9 | 4.6 | 179.6 | 0 | 0 | 0 | 0 | 0 | 114.8 | F88 R89 C90 N94 | F88-G92 PolarHBondContact O-N 3.22Å; R89-G92 PolarHBondContact O-N 2.97Å; R89-G92 VanDerWaalsContact O-N 3.07Å; C90-G92 PolarHBondContact O-N 3.27Å; C90-G92 VanDerWaalsContact O-N 3.14Å; G92-N94 PolarHBondContact O-N 2.62Å |
| 93 | I | 90.2 | Very high | 90.1 | Very high | 11 Ų | 11 | 43.1 Ų | 43.1 | 6% | 0.056 | 22% | 0.216 | C | C | . | . | trans | -67.4 | 133 | 178.8 | -49.9 | -177.9 | 0 | 0 | 0 | 109.4 | F88 L91 T97 I98 L101 L112 V137 | F88-I93 HydrophobicContact CB-CB 4.28Å; F88-I93 HydrophobicContact CB-CD1 4.06Å; F88-I93 HydrophobicContact CB-CG1 4.48Å; F88-I93 HydrophobicContact CD1-CD1 3.88Å; F88-I93 HydrophobicContact CG-CD1 4.2Å; F88-I93 PolarHBondContact O-N 2.81Å; F88-I93 VanDerWaalsContact O-N 3.12Å; L91-I93 HydrophobicContact CB-CD1 4.48Å; L91-I93 HydrophobicContact CB-CG1 4.2Å; I93-T97 HydrophobicContact CG2-CG2 3.89Å; I93-I98 HydrophobicContact CB-CD1 4.3Å; I93-I98 HydrophobicContact CB-CG1 3.98Å; I93-I98 HydrophobicContact CG2-CG1 3.77Å; I93-I98 WeakPolarHBondContact O-CD1 3.29Å; I93-L101 HydrophobicContact CD1-CD1 4.37Å; I93-L112 HydrophobicContact CD1-CD2 4.27Å; I93-V137 HydrophobicContact CD1-CG1 4.04Å; I93-V137 HydrophobicContact CG1-CG1 4.19Å; I93-V137 HydrophobicContact CG1-CG2 3.8Å | ||
| 94 | N | 88 | Confident | 89.6 | Confident | 65 Ų | 65 | 45 Ų | 45 | 35% | 0.348 | 23% | 0.229 | S | C | . | . | trans | -64.5 | 141.1 | 174 | 44.2 | 4.4 | 0 | 0 | 0 | 112.3 | G92 D96 T97 I98 D129 | G92-N94 PolarHBondContact O-N 2.62Å; N94-D96 VanDerWaalsContact C-N 3.26Å; N94-D96 PolarHBondContact O-N 2.84Å; N94-D96 VanDerWaalsContact O-N 3.16Å; N94-T97 PolarHBondContact O-N 2.92Å; N94-T97 VanDerWaalsContact O-N 3.12Å; N94-T97 WeakPolarHBondContact OD1-CB 3.25Å; N94-T97 PolarHBondContact OD1-OG1 3.1Å; N94-I98 WeakPolarHBondContact O-CG1 3.45Å; N94-I98 PolarHBondContact O-N 3.27Å; N94-D129 PolarHBondContact ND2-OD1 3.13Å; N94-D129 PolarHBondContact OD1-OD1 3.1Å | ||
| 95 | D | 89.1 | Confident | 89.1 | Confident | 92 Ų | 92 | 49.4 Ų | 49.4 | 49% | 0.492 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -57.4 | -34.7 | -172.6 | -79.9 | -50.4 | 0 | 0 | 0 | 113.5 | I98 Q99 | D95-I98 WeakPolarHBondContact O-CB 3.33Å; D95-I98 PolarHBondContact O-N 2.95Å; D95-Q99 WeakPolarHBondContact O-CG 3.29Å; D95-Q99 PolarHBondContact O-N 3.1Å |
| 96 | D | 87.1 | Confident | 88.8 | Confident | 142 Ų | 142 | 48.3 Ų | 48.3 | 76% | 0.759 | 25% | 0.25 | S | C | * | . | H | α-helix | trans | -64 | -45.4 | 177.5 | -68.5 | -54.9 | 0 | 0 | 0 | 112.3 | N94 I98 Q99 G100 | N94-D96 VanDerWaalsContact C-N 3.26Å; N94-D96 PolarHBondContact O-N 2.84Å; N94-D96 VanDerWaalsContact O-N 3.16Å; D96-I98 VanDerWaalsContact C-N 3.34Å; D96-Q99 PolarHBondContact O-N 3.21Å; D96-G100 PolarHBondContact O-N 3.18Å |
| 97 | T | 89.6 | Confident | 88.5 | Confident | 4 Ų | 4 | 48.3 Ų | 48.3 | 3% | 0.025 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -68 | -34 | 173.8 | -58.2 | 0 | 0 | 0 | 0 | 111.2 | I93 N94 G100 L101 L124 Y127 D129 | I93-T97 HydrophobicContact CG2-CG2 3.89Å; N94-T97 PolarHBondContact O-N 2.92Å; N94-T97 VanDerWaalsContact O-N 3.12Å; N94-T97 WeakPolarHBondContact OD1-CB 3.25Å; N94-T97 PolarHBondContact OD1-OG1 3.1Å; T97-G100 CarbonylContact O-C 3.58Å; T97-G100 WeakPolarHBondContact O-CA 3.44Å; T97-G100 PolarHBondContact O-N 3.48Å; T97-L101 HydrophobicContact CG2-CD1 4.15Å; T97-L101 HydrophobicContact CG2-CG 4.24Å; T97-L101 WeakPolarHBondContact O-CB 3.35Å; T97-L101 WeakPolarHBondContact O-CG 3.47Å; T97-L101 PolarHBondContact O-N 2.97Å; T97-L124 HydrophobicContact CG2-CD2 3.9Å; T97-Y127 HydrophobicContact CG2-CD2 4Å; T97-Y127 HydrophobicContact CG2-CG 3.9Å; T97-D129 PolarHBondContact OG1-OD1 2.89Å |
| 98 | I | 90.4 | Very high | 88.3 | Confident | 0 Ų | 0 | 49.3 Ų | 49.3 | 0% | 0 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -58.7 | -49.2 | 171.9 | -69.7 | 179.2 | 0 | 0 | 0 | 111.1 | E85 F88 R89 I93 N94 D95 D96 G100 L101 L102 | E85-I98 HydrophobicContact CB-CG2 4.47Å; E85-I98 HydrophobicContact CG-CG2 3.77Å; F88-I98 HydrophobicContact CB-CD1 3.61Å; F88-I98 HydrophobicContact CB-CG1 3.6Å; F88-I98 HydrophobicContact CD2-CG1 4.39Å; F88-I98 HydrophobicContact CD2-CG2 4.26Å; F88-I98 HydrophobicContact CG-CG1 4.42Å; R89-I98 HydrophobicContact CB-CD1 4.47Å; R89-I98 HydrophobicContact CG-CD1 3.66Å; I93-I98 HydrophobicContact CB-CD1 4.3Å; I93-I98 HydrophobicContact CB-CG1 3.98Å; I93-I98 HydrophobicContact CG2-CG1 3.77Å; I93-I98 WeakPolarHBondContact O-CD1 3.29Å; N94-I98 WeakPolarHBondContact O-CG1 3.45Å; N94-I98 PolarHBondContact O-N 3.27Å; D95-I98 WeakPolarHBondContact O-CB 3.33Å; D95-I98 PolarHBondContact O-N 2.95Å; D96-I98 VanDerWaalsContact C-N 3.34Å; I98-G100 VanDerWaalsContact C-N 3.3Å; I98-G100 PolarHBondContact O-N 2.91Å; I98-L101 PolarHBondContact O-N 2.84Å; I98-L102 HydrophobicContact CG2-CD1 3.81Å; I98-L102 WeakPolarHBondContact O-CB 3.4Å; I98-L102 WeakPolarHBondContact O-CG 3.41Å; I98-L102 PolarHBondContact O-N 3.25Å |
| 99 | Q | 90.4 | Very high | 88.2 | Confident | 48 Ų | 48 | 49.3 Ų | 49.3 | 22% | 0.224 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -68 | -31.9 | 176.5 | -57.7 | -51.4 | -41.7 | 0 | 0 | 111.5 | D95 D96 R103 | D95-Q99 WeakPolarHBondContact O-CG 3.29Å; D95-Q99 PolarHBondContact O-N 3.1Å; D96-Q99 PolarHBondContact O-N 3.21Å; Q99-R103 WeakPolarHBondContact O-CA 3.41Å; Q99-R103 VanDerWaalsContact O-CB 3.23Å; Q99-R103 WeakPolarHBondContact O-CB 3.5Å; Q99-R103 WeakPolarHBondContact O-CG 3.45Å; Q99-R103 PolarHBondContact O-N 2.72Å |
| 100 | G | 86.1 | Confident | 88 | Confident | 4 Ų | 4 | 49.5 Ų | 49.5 | 4% | 0.041 | 26% | 0.264 | C | S | . | . | I | π-helix | trans | -60.3 | -53.2 | 171.8 | 0 | 0 | 0 | 0 | 0 | 113.2 | D96 T97 I98 I104 R105 Y127 | D96-G100 PolarHBondContact O-N 3.18Å; T97-G100 CarbonylContact O-C 3.58Å; T97-G100 WeakPolarHBondContact O-CA 3.44Å; T97-G100 PolarHBondContact O-N 3.48Å; I98-G100 VanDerWaalsContact C-N 3.3Å; I98-G100 PolarHBondContact O-N 2.91Å; G100-I104 WeakPolarHBondContact O-CA 3.41Å; G100-I104 VanDerWaalsContact O-CB 3.24Å; G100-I104 WeakPolarHBondContact O-CB 3.1Å; G100-I104 PolarHBondContact O-N 3.09Å; G100-R105 PolarHBondContact O-N 3.43Å; G100-Y127 PolarHBondContact O-OH 3.46Å |
| 101 | L | 89.3 | Confident | 87.6 | Confident | 0 Ų | 0 | 54.6 Ų | 54.6 | 0% | 0 | 29% | 0.288 | C | S | . | . | I | π-helix | trans | -59.3 | -52 | 177 | -71.4 | 170.7 | 0 | 0 | 0 | 111.2 | F88 I93 T97 I98 R105 G106 I107 I123 L124 Y127 | F88-L101 HydrophobicContact CE2-CB 4.45Å; F88-L101 HydrophobicContact CE2-CD1 4.46Å; F88-L101 HydrophobicContact CZ-CD1 4.43Å; I93-L101 HydrophobicContact CD1-CD1 4.37Å; T97-L101 HydrophobicContact CG2-CD1 4.15Å; T97-L101 HydrophobicContact CG2-CG 4.24Å; T97-L101 WeakPolarHBondContact O-CB 3.35Å; T97-L101 WeakPolarHBondContact O-CG 3.47Å; T97-L101 PolarHBondContact O-N 2.97Å; I98-L101 PolarHBondContact O-N 2.84Å; L101-R105 CarbonylContact O-C 3.44Å; L101-G106 PolarHBondContact O-N 3.35Å; L101-I107 HydrophobicContact CD2-CB 4.47Å; L101-I107 HydrophobicContact CD2-CD1 4.29Å; L101-I107 PolarHBondContact O-N 3.01Å; L101-I123 HydrophobicContact CD2-CG2 3.62Å; L101-L124 HydrophobicContact CD1-CD2 4.44Å; L101-Y127 HydrophobicContact CD2-CE2 4.42Å |
| 102 | L | 88.7 | Confident | 87.5 | Confident | 49 Ų | 49 | 54.6 Ų | 54.6 | 26% | 0.257 | 29% | 0.288 | S | S | . | . | I | π-helix | trans | -72 | -44.6 | -174.5 | -69.7 | 173.3 | 0 | 0 | 0 | 113.5 | E85 F88 I98 G106 | E85-L102 HydrophobicContact CB-CD1 4.1Å; E85-L102 HydrophobicContact CG-CD1 4.44Å; F88-L102 HydrophobicContact CD2-CD1 4.47Å; F88-L102 HydrophobicContact CD2-CG 4.39Å; F88-L102 HydrophobicContact CE2-CD1 4.5Å; F88-L102 HydrophobicContact CE2-CD2 3.84Å; F88-L102 HydrophobicContact CE2-CG 3.98Å; I98-L102 HydrophobicContact CG2-CD1 3.81Å; I98-L102 WeakPolarHBondContact O-CB 3.4Å; I98-L102 WeakPolarHBondContact O-CG 3.41Å; I98-L102 PolarHBondContact O-N 3.25Å; L102-G106 WeakPolarHBondContact O-CA 3.3Å |
| 103 | R | 84.9 | Confident | 87.5 | Confident | 194 Ų | 194 | 53.7 Ų | 53.7 | 73% | 0.732 | 27% | 0.274 | S | S | * | . | I | π-helix | trans | -95.7 | -33 | -172 | -53.7 | -171.2 | -168.1 | -167.4 | 5.5 | 114.3 | Q99 | Q99-R103 WeakPolarHBondContact O-CA 3.41Å; Q99-R103 VanDerWaalsContact O-CB 3.23Å; Q99-R103 WeakPolarHBondContact O-CB 3.5Å; Q99-R103 WeakPolarHBondContact O-CG 3.45Å; Q99-R103 PolarHBondContact O-N 2.72Å |
| 104 | I | 81.2 | Confident | 87.2 | Confident | 133 Ų | 133 | 57.7 Ų | 57.7 | 68% | 0.682 | 30% | 0.296 | S | S | * | . | I | π-helix | trans | -94.1 | -44 | -174.8 | -48.5 | 178.8 | 0 | 0 | 0 | 110.8 | G100 | G100-I104 WeakPolarHBondContact O-CA 3.41Å; G100-I104 VanDerWaalsContact O-CB 3.24Å; G100-I104 WeakPolarHBondContact O-CB 3.1Å; G100-I104 PolarHBondContact O-N 3.09Å |
| 105 | R | 81.2 | Confident | 87.1 | Confident | 120 Ų | 120 | 55.6 Ų | 55.6 | 45% | 0.453 | 28% | 0.284 | S | S | . | . | I | π-helix | trans | -97.8 | -16.2 | 178.8 | -66.5 | -173.1 | -178.8 | -128.5 | 5.6 | 114.6 | G100 L101 I107 Y127 | G100-R105 PolarHBondContact O-N 3.43Å; L101-R105 CarbonylContact O-C 3.44Å; R105-I107 VanDerWaalsContact C-N 3.26Å; R105-I107 HydrophobicContact CB-CD1 3.63Å; R105-I107 HydrophobicContact CB-CG1 3.8Å; R105-I107 HydrophobicContact CG-CD1 4.35Å; R105-I107 PolarHBondContact O-N 3.4Å; R105-Y127 PolarHBondContact NE-OH 2.69Å |
| 106 | G | 83.8 | Confident | 87.1 | Confident | 50 Ų | 50 | 54.6 Ų | 54.6 | 52% | 0.515 | 28% | 0.282 | S | S | . | . | trans | 70.3 | 19.1 | -176.9 | 0 | 0 | 0 | 0 | 0 | 114.3 | L101 L102 G108 | L101-G106 PolarHBondContact O-N 3.35Å; L102-G106 WeakPolarHBondContact O-CA 3.3Å; G106-G108 PolarHBondContact O-N 3.24Å | ||
| 107 | I | 87.3 | Confident | 87.2 | Confident | 11 Ų | 11 | 51.3 Ų | 51.3 | 6% | 0.056 | 27% | 0.265 | C | S | . | . | trans | -85.6 | 103.2 | -174.5 | -63 | 169.6 | 0 | 0 | 0 | 109.2 | L101 R105 Q111 L112 M115 I123 | L101-I107 HydrophobicContact CD2-CB 4.47Å; L101-I107 HydrophobicContact CD2-CD1 4.29Å; L101-I107 PolarHBondContact O-N 3.01Å; R105-I107 VanDerWaalsContact C-N 3.26Å; R105-I107 HydrophobicContact CB-CD1 3.63Å; R105-I107 HydrophobicContact CB-CG1 3.8Å; R105-I107 HydrophobicContact CG-CD1 4.35Å; R105-I107 PolarHBondContact O-N 3.4Å; I107-Q111 HydrophobicContact CG2-CB 4.36Å; I107-Q111 HydrophobicContact CG2-CG 4.5Å; I107-L112 HydrophobicContact CG2-CB 4.23Å; I107-L112 HydrophobicContact CG2-CD1 4.16Å; I107-M115 HydrophobicContact CD1-CE 4.19Å; I107-M115 HydrophobicContact CG2-CE 3.78Å; I107-I123 HydrophobicContact CD1-CD1 4.08Å | ||
| 108 | G | 87.3 | Confident | 87.2 | Confident | 21 Ų | 21 | 55.2 Ų | 55.2 | 22% | 0.216 | 29% | 0.292 | C | S | . | . | trans | -74.4 | 163.9 | 169.4 | 0 | 0 | 0 | 0 | 0 | 112.7 | G106 L110 Q111 L112 | G106-G108 PolarHBondContact O-N 3.24Å; G108-L110 PolarHBondContact O-N 2.67Å; G108-Q111 WeakPolarHBondContact O-CA 3.4Å; G108-Q111 WeakPolarHBondContact O-CB 3.31Å; G108-Q111 PolarHBondContact O-N 2.97Å; G108-L112 PolarHBondContact O-N 3.07Å | ||
| 109 | F | 92.2 | Very high | 87.3 | Confident | 0 Ų | 0 | 59.6 Ų | 59.6 | 0% | 0 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -59.1 | -42.4 | -176.1 | 166.9 | -113.7 | 0 | 0 | 0 | 113.4 | L59 I63 P82 S84 C87 F88 L91 Q111 L112 L113 L141 I144 | L59-F109 HydrophobicContact CD1-CZ 4.23Å; L59-F109 HydrophobicContact CD2-CE1 4.04Å; L59-F109 HydrophobicContact CD2-CZ 4.35Å; I63-F109 HydrophobicContact CD1-CE1 3.99Å; P82-F109 HydrophobicContact CB-CD1 4.04Å; P82-F109 HydrophobicContact CB-CE1 4.4Å; P82-F109 HydrophobicContact CG-CD1 3.86Å; P82-F109 HydrophobicContact CG-CE1 4.39Å; S84-F109 WeakPolarHBondContact OG-CB 3.45Å; S84-F109 PolarHBondContact OG-N 3.01Å; C87-F109 HydrophobicContact CB-CB 4.01Å; C87-F109 HydrophobicContact CB-CD1 3.58Å; C87-F109 HydrophobicContact CB-CD2 3.63Å; C87-F109 HydrophobicContact CB-CE1 3.88Å; C87-F109 HydrophobicContact CB-CE2 3.94Å; C87-F109 HydrophobicContact CB-CG 3.45Å; C87-F109 VanDerWaalsContact CB-CG 3.45Å; C87-F109 HydrophobicContact CB-CZ 4.05Å; F88-F109 HydrophobicContact CD1-CB 4.38Å; F88-F109 HydrophobicContact CD1-CD2 4.1Å; F88-F109 HydrophobicContact CE1-CB 3.84Å; F88-F109 AromaticContact CE1-CD2 3.96Å; F88-F109 HydrophobicContact CE1-CD2 3.96Å; F88-F109 HydrophobicContact CE1-CG 4.41Å; F88-F109 HydrophobicContact CZ-CB 4.02Å; L91-F109 HydrophobicContact CD1-CD2 4.34Å; L91-F109 HydrophobicContact CD1-CE2 3.94Å; F109-Q111 PolarHBondContact O-N 3.21Å; F109-L112 PolarHBondContact O-N 3.27Å; F109-L113 WeakPolarHBondContact O-CB 3.45Å; F109-L113 PolarHBondContact O-N 2.7Å; F109-L141 HydrophobicContact CE2-CD2 4.48Å; F109-I144 HydrophobicContact CE2-CD1 4.26Å; F109-I144 HydrophobicContact CZ-CD1 4.07Å |
| 110 | L | 87 | Confident | 87.4 | Confident | 58 Ų | 58 | 57.3 Ų | 57.3 | 30% | 0.304 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -60.9 | -29.6 | 174.6 | -68.3 | 174.6 | 0 | 0 | 0 | 112.9 | I63 L78 P82 G108 D114 | I63-L110 HydrophobicContact CD1-CD2 4.07Å; I63-L110 HydrophobicContact CG1-CD2 4.02Å; L78-L110 HydrophobicContact CD2-CD1 3.6Å; P82-L110 HydrophobicContact CG-CD1 4.13Å; P82-L110 HydrophobicContact CG-CD2 3.96Å; P82-L110 HydrophobicContact CG-CG 3.81Å; G108-L110 PolarHBondContact O-N 2.67Å; L110-D114 PolarHBondContact O-N 2.93Å |
| 111 | Q | 85.6 | Confident | 87.7 | Confident | 107 Ų | 107 | 62 Ų | 62 | 50% | 0.5 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -80.8 | -36.4 | 177.6 | -172 | 172.9 | -8.9 | 0 | 0 | 111.7 | I107 G108 F109 L113 D114 M115 | I107-Q111 HydrophobicContact CG2-CB 4.36Å; I107-Q111 HydrophobicContact CG2-CG 4.5Å; G108-Q111 WeakPolarHBondContact O-CA 3.4Å; G108-Q111 WeakPolarHBondContact O-CB 3.31Å; G108-Q111 PolarHBondContact O-N 2.97Å; F109-Q111 PolarHBondContact O-N 3.21Å; Q111-L113 PolarHBondContact O-N 2.72Å; Q111-D114 PolarHBondContact O-N 3.49Å; Q111-M115 WeakPolarHBondContact O-CG 3.5Å; Q111-M115 PolarHBondContact O-N 2.78Å |
| 112 | L | 89.1 | Confident | 87.7 | Confident | 0 Ų | 0 | 65.7 Ų | 65.7 | 0% | 0 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -59.8 | -37.9 | 168.1 | -160 | 81.1 | 0 | 0 | 0 | 110.9 | F88 I93 I107 G108 F109 M115 V120 L141 | F88-L112 HydrophobicContact CD1-CD2 4.1Å; F88-L112 HydrophobicContact CE1-CB 3.95Å; F88-L112 HydrophobicContact CE1-CD2 3.55Å; F88-L112 HydrophobicContact CE1-CG 4.31Å; F88-L112 HydrophobicContact CZ-CB 4.36Å; F88-L112 HydrophobicContact CZ-CD2 4.46Å; I93-L112 HydrophobicContact CD1-CD2 4.27Å; I107-L112 HydrophobicContact CG2-CB 4.23Å; I107-L112 HydrophobicContact CG2-CD1 4.16Å; G108-L112 PolarHBondContact O-N 3.07Å; F109-L112 PolarHBondContact O-N 3.27Å; L112-M115 HydrophobicContact CB-CE 4.49Å; L112-M115 HydrophobicContact CD1-CE 3.8Å; L112-M115 PolarHBondContact O-N 3.28Å; L112-V120 HydrophobicContact CD1-CG1 4.27Å; L112-V120 HydrophobicContact CD1-CG2 4.3Å; L112-V120 HydrophobicContact CG-CG1 4.46Å; L112-V120 HydrophobicContact CG-CG2 4.41Å; L112-L141 HydrophobicContact CD2-CD1 3.97Å; L112-L141 HydrophobicContact CD2-CD2 4.31Å; L112-L141 HydrophobicContact CG-CD1 4.23Å |
| 113 | L | 89.5 | Confident | 87.7 | Confident | 18 Ų | 18 | 63.6 Ų | 63.6 | 9% | 0.094 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -70.4 | -31 | -180 | -164.8 | 66.8 | 0 | 0 | 0 | 113.6 | I63 F109 Q111 L141 I144 R145 I148 | I63-L113 HydrophobicContact CD1-CD2 3.6Å; F109-L113 WeakPolarHBondContact O-CB 3.45Å; F109-L113 PolarHBondContact O-N 2.7Å; Q111-L113 PolarHBondContact O-N 2.72Å; L113-L141 HydrophobicContact CD1-CD2 3.75Å; L113-I144 HydrophobicContact CD1-CB 4.09Å; L113-I144 HydrophobicContact CD1-CG2 3.83Å; L113-I144 HydrophobicContact CD2-CG2 4Å; L113-R145 HydrophobicContact CD1-CG 3.84Å; L113-R145 HydrophobicContact CG-CG 4.34Å; L113-R145 VanDerWaalsContact O-CZ 3.29Å; L113-R145 PolarHBondContact O-NE 3.08Å; L113-R145 PolarHBondContact O-NH2 3.49Å; L113-I148 HydrophobicContact CD2-CD1 3.88Å |
| 114 | D | 84.5 | Confident | 87.9 | Confident | 96 Ų | 96 | 54.4 Ų | 54.4 | 51% | 0.513 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -86.4 | -10.7 | 177.2 | -159.9 | 42.7 | 0 | 0 | 0 | 113.6 | L110 Q111 R595 | L110-D114 PolarHBondContact O-N 2.93Å; Q111-D114 PolarHBondContact O-N 3.49Å; D114-R595 IonicContact OD2-CZ 3.79Å; D114-R595 IonicContact OD2-NH2 2.66Å; D114-R595 PolarHBondContact OD2-NH2 2.99Å |
| 115 | M | 85.8 | Confident | 88.3 | Confident | 20 Ų | 20 | 53.1 Ų | 53.1 | 10% | 0.099 | 29% | 0.287 | C | S | . | . | S | Bend | trans | -81.4 | 144.5 | 178.3 | -80.7 | -172.1 | -59.8 | 0 | 0 | 113.4 | I107 Q111 L112 E119 V120 I123 R145 | I107-M115 HydrophobicContact CD1-CE 4.19Å; I107-M115 HydrophobicContact CG2-CE 3.78Å; Q111-M115 WeakPolarHBondContact O-CG 3.5Å; Q111-M115 PolarHBondContact O-N 2.78Å; L112-M115 HydrophobicContact CB-CE 4.49Å; L112-M115 HydrophobicContact CD1-CE 3.8Å; L112-M115 PolarHBondContact O-N 3.28Å; M115-E119 HydrophobicContact SD-CG 4.02Å; M115-V120 HydrophobicContact CB-CG2 3.93Å; M115-I123 HydrophobicContact CE-CD1 3.78Å; M115-I123 HydrophobicContact SD-CD1 3.88Å; M115-R145 PolarHBondContact O-NH2 3.45Å |
| 116 | P | 87.7 | Confident | 88.6 | Confident | 71 Ų | 71 | 52.7 Ų | 52.7 | 46% | 0.461 | 29% | 0.293 | S | S | . | . | trans | -68.5 | 149.7 | 177.2 | 29.9 | -34.9 | 0 | 0 | 0 | 112.2 | S118 E119 V120 | P116-S118 PolarHBondContact O-N 2.79Å; P116-S118 VanDerWaalsContact O-N 3.15Å; P116-E119 WeakPolarHBondContact CD-OE2 3.34Å; P116-E119 HydrophobicContact CG-CB 3.88Å; P116-E119 WeakPolarHBondContact O-CA 3.33Å; P116-E119 WeakPolarHBondContact O-CB 3.29Å; P116-E119 PolarHBondContact O-N 3.33Å; P116-V120 PolarHBondContact O-N 2.89Å; P116-V120 VanDerWaalsContact O-N 3.07Å | ||
| 117 | D | 90 | Very high | 88.6 | Confident | 74 Ų | 74 | 53.7 Ų | 53.7 | 40% | 0.396 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -60.3 | -30.7 | -172.4 | -60 | -35.6 | 0 | 0 | 0 | 113.9 | E119 R121 L138 R145 | D117-E119 VanDerWaalsContact C-N 3.34Å; D117-R121 WeakPolarHBondContact O-CB 3.4Å; D117-R121 PolarHBondContact O-N 3.06Å; D117-L138 HydrophobicContact CB-CD2 3.89Å; D117-R145 IonicContact OD1-CZ 3.65Å; D117-R145 IonicContact OD1-NH1 2.67Å; D117-R145 PolarHBondContact OD1-NH1 3.18Å; D117-R145 IonicContact OD1-NH2 3.91Å; D117-R145 IonicContact OD2-NH1 3.76Å |
| 118 | S | 90.1 | Very high | 88.1 | Confident | 85 Ų | 85 | 55.6 Ų | 55.6 | 59% | 0.594 | 31% | 0.305 | S | S | * | . | H | α-helix | trans | -65.1 | -35 | 173.3 | 51.7 | 0 | 0 | 0 | 0 | 113.1 | P116 T122 | P116-S118 PolarHBondContact O-N 2.79Å; P116-S118 VanDerWaalsContact O-N 3.15Å; S118-T122 WeakPolarHBondContact O-CB 3.42Å; S118-T122 PolarHBondContact O-N 3.37Å; S118-T122 PolarHBondContact O-OG1 3.07Å |
| 119 | E | 91.8 | Very high | 87.8 | Confident | 93 Ų | 93 | 55.3 Ų | 55.3 | 44% | 0.435 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -75.7 | -44.7 | 176.1 | -174.9 | 167 | -163 | 0 | 0 | 110.4 | M115 P116 D117 R121 T122 I123 | M115-E119 HydrophobicContact SD-CG 4.02Å; P116-E119 WeakPolarHBondContact CD-OE2 3.34Å; P116-E119 HydrophobicContact CG-CB 3.88Å; P116-E119 WeakPolarHBondContact O-CA 3.33Å; P116-E119 WeakPolarHBondContact O-CB 3.29Å; P116-E119 PolarHBondContact O-N 3.33Å; D117-E119 VanDerWaalsContact C-N 3.34Å; E119-R121 PolarHBondContact O-N 3.18Å; E119-T122 PolarHBondContact O-N 3.22Å; E119-I123 HydrophobicContact CG-CD1 3.96Å; E119-I123 VanDerWaalsContact O-CG1 3.26Å; E119-I123 WeakPolarHBondContact O-CG1 3.37Å; E119-I123 PolarHBondContact O-N 3.19Å |
| 120 | V | 91.5 | Very high | 87.2 | Confident | 0 Ų | 0 | 63.8 Ų | 63.8 | 0% | 0 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -59.3 | -48.5 | 175.3 | 177.9 | 0 | 0 | 0 | 0 | 111.5 | L112 M115 P116 T122 I123 L124 L138 L141 | L112-V120 HydrophobicContact CD1-CG1 4.27Å; L112-V120 HydrophobicContact CD1-CG2 4.3Å; L112-V120 HydrophobicContact CG-CG1 4.46Å; L112-V120 HydrophobicContact CG-CG2 4.41Å; M115-V120 HydrophobicContact CB-CG2 3.93Å; P116-V120 PolarHBondContact O-N 2.89Å; P116-V120 VanDerWaalsContact O-N 3.07Å; V120-T122 VanDerWaalsContact C-N 3.31Å; V120-T122 PolarHBondContact O-N 3.42Å; V120-I123 PolarHBondContact O-N 2.86Å; V120-I123 VanDerWaalsContact O-N 3.11Å; V120-L124 HydrophobicContact CG1-CD1 3.96Å; V120-L124 HydrophobicContact CG1-CG 4.47Å; V120-L124 PolarHBondContact O-N 3.26Å; V120-L138 HydrophobicContact CB-CD2 3.9Å; V120-L138 HydrophobicContact CG1-CD2 3.78Å; V120-L141 HydrophobicContact CG1-CD1 3.87Å |
| 121 | R | 93 | Very high | 86.9 | Confident | 102 Ų | 102 | 63.1 Ų | 63.1 | 39% | 0.385 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -55.7 | -46.4 | 175 | -175.2 | 176 | -95.8 | -173.9 | -6.1 | 111.3 | D117 E119 I123 Q125 V134 D135 L138 | D117-R121 WeakPolarHBondContact O-CB 3.4Å; D117-R121 PolarHBondContact O-N 3.06Å; E119-R121 PolarHBondContact O-N 3.18Å; R121-I123 VanDerWaalsContact C-N 3.34Å; R121-I123 PolarHBondContact O-N 2.94Å; R121-Q125 HydrophobicContact CG-CG 4.5Å; R121-Q125 WeakPolarHBondContact O-CB 3.4Å; R121-Q125 VanDerWaalsContact O-CG 3.24Å; R121-Q125 WeakPolarHBondContact O-CG 3.47Å; R121-Q125 PolarHBondContact O-N 3.26Å; R121-Q125 VanDerWaalsContact O-N 3.08Å; R121-V134 HydrophobicContact CB-CG1 4.16Å; R121-V134 HydrophobicContact CG-CG1 3.84Å; R121-D135 IonicContact CZ-OD1 3.46Å; R121-D135 IonicContact NE-OD1 3.87Å; R121-D135 PolarHBondContact NE-OD1 2.94Å; R121-D135 IonicContact NH2-OD1 2.77Å; R121-D135 PolarHBondContact NH2-OD1 2.97Å; R121-D135 IonicContact NH2-OD2 3.15Å; R121-D135 PolarHBondContact NH2-OD2 3.42Å; R121-L138 HydrophobicContact CB-CD1 4.1Å |
| 122 | T | 89.3 | Confident | 86.8 | Confident | 77 Ų | 77 | 66.4 Ų | 66.4 | 47% | 0.472 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -62.7 | -39.8 | 177.6 | -57.9 | 0 | 0 | 0 | 0 | 111.6 | S118 E119 V120 N126 | S118-T122 WeakPolarHBondContact O-CB 3.42Å; S118-T122 PolarHBondContact O-N 3.37Å; S118-T122 PolarHBondContact O-OG1 3.07Å; E119-T122 PolarHBondContact O-N 3.22Å; V120-T122 VanDerWaalsContact C-N 3.31Å; V120-T122 PolarHBondContact O-N 3.42Å; T122-N126 PolarHBondContact O-N 3.08Å; T122-N126 PolarHBondContact O-ND2 2.88Å |
| 123 | I | 89.8 | Confident | 86.7 | Confident | 6 Ų | 6 | 70.9 Ų | 70.9 | 3% | 0.031 | 38% | 0.375 | C | S | . | . | H | α-helix | trans | -65.9 | -50.1 | -179.6 | -69.3 | 165.1 | 0 | 0 | 0 | 110.9 | L101 I107 M115 E119 V120 R121 N126 Y127 | L101-I123 HydrophobicContact CD2-CG2 3.62Å; I107-I123 HydrophobicContact CD1-CD1 4.08Å; M115-I123 HydrophobicContact CE-CD1 3.78Å; M115-I123 HydrophobicContact SD-CD1 3.88Å; E119-I123 HydrophobicContact CG-CD1 3.96Å; E119-I123 VanDerWaalsContact O-CG1 3.26Å; E119-I123 WeakPolarHBondContact O-CG1 3.37Å; E119-I123 PolarHBondContact O-N 3.19Å; V120-I123 PolarHBondContact O-N 2.86Å; V120-I123 VanDerWaalsContact O-N 3.11Å; R121-I123 VanDerWaalsContact C-N 3.34Å; R121-I123 PolarHBondContact O-N 2.94Å; I123-N126 WeakPolarHBondContact O-CB 3.41Å; I123-N126 PolarHBondContact O-N 3.41Å; I123-N126 VanDerWaalsContact O-N 3.14Å; I123-Y127 HydrophobicContact CG2-CD2 4.4Å; I123-Y127 HydrophobicContact CG2-CE2 4.09Å; I123-Y127 VanDerWaalsContact O-CD2 3.31Å; I123-Y127 WeakPolarHBondContact O-CD2 3.12Å |
| 124 | L | 88.9 | Confident | 86.8 | Confident | 1 Ų | 1 | 70 Ų | 70 | 1% | 0.005 | 37% | 0.37 | C | S | . | . | H | α-helix | trans | -66.2 | -41.2 | -177.3 | -62.7 | 172.5 | 0 | 0 | 0 | 111.9 | T97 L101 V120 N126 Y127 G128 D129 V134 V137 | T97-L124 HydrophobicContact CG2-CD2 3.9Å; L101-L124 HydrophobicContact CD1-CD2 4.44Å; V120-L124 HydrophobicContact CG1-CD1 3.96Å; V120-L124 HydrophobicContact CG1-CG 4.47Å; V120-L124 PolarHBondContact O-N 3.26Å; L124-N126 PolarHBondContact O-N 2.96Å; L124-N126 VanDerWaalsContact O-N 3.13Å; L124-Y127 PolarHBondContact O-N 3.12Å; L124-G128 PolarHBondContact O-N 3.39Å; L124-D129 HydrophobicContact CB-CB 4.42Å; L124-V134 HydrophobicContact CB-CG1 4.37Å; L124-V134 HydrophobicContact CB-CG2 3.75Å; L124-V134 HydrophobicContact CD1-CG1 4.22Å; L124-V134 HydrophobicContact CD1-CG2 4.45Å; L124-V137 HydrophobicContact CD1-CB 4.1Å; L124-V137 HydrophobicContact CD1-CG1 3.81Å |
| 125 | Q | 89.1 | Confident | 87.1 | Confident | 105 Ų | 105 | 68.7 Ų | 68.7 | 49% | 0.491 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -60.5 | -23.8 | 173.4 | -72.8 | 177.4 | -17.9 | 0 | 0 | 113.7 | R121 Y127 V134 | R121-Q125 HydrophobicContact CG-CG 4.5Å; R121-Q125 WeakPolarHBondContact O-CB 3.4Å; R121-Q125 VanDerWaalsContact O-CG 3.24Å; R121-Q125 WeakPolarHBondContact O-CG 3.47Å; R121-Q125 PolarHBondContact O-N 3.26Å; R121-Q125 VanDerWaalsContact O-N 3.08Å; Q125-Y127 VanDerWaalsContact C-N 3.35Å; Q125-V134 HydrophobicContact CG-CG2 4.37Å |
| 126 | N | 87 | Confident | 87.3 | Confident | 111 Ų | 111 | 71.5 Ų | 71.5 | 59% | 0.594 | 38% | 0.376 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78.9 | -13.8 | 172.7 | -82.2 | -75.6 | 0 | 0 | 0 | 113.8 | T122 I123 L124 | T122-N126 PolarHBondContact O-N 3.08Å; T122-N126 PolarHBondContact O-ND2 2.88Å; I123-N126 WeakPolarHBondContact O-CB 3.41Å; I123-N126 PolarHBondContact O-N 3.41Å; I123-N126 VanDerWaalsContact O-N 3.14Å; L124-N126 PolarHBondContact O-N 2.96Å; L124-N126 VanDerWaalsContact O-N 3.13Å |
| 127 | Y | 84.8 | Confident | 87.5 | Confident | 72 Ų | 72 | 68.5 Ų | 68.5 | 28% | 0.282 | 36% | 0.356 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -93.5 | -14.4 | 171.7 | -74.1 | -79.4 | 0 | 0 | 0 | 113 | T97 G100 L101 R105 I123 L124 Q125 | T97-Y127 HydrophobicContact CG2-CD2 4Å; T97-Y127 HydrophobicContact CG2-CG 3.9Å; G100-Y127 PolarHBondContact O-OH 3.46Å; L101-Y127 HydrophobicContact CD2-CE2 4.42Å; R105-Y127 PolarHBondContact NE-OH 2.69Å; I123-Y127 HydrophobicContact CG2-CD2 4.4Å; I123-Y127 HydrophobicContact CG2-CE2 4.09Å; I123-Y127 VanDerWaalsContact O-CD2 3.31Å; I123-Y127 WeakPolarHBondContact O-CD2 3.12Å; L124-Y127 PolarHBondContact O-N 3.12Å; Q125-Y127 VanDerWaalsContact C-N 3.35Å |
| 128 | G | 76.5 | Confident | 87.7 | Confident | 51 Ų | 51 | 65.8 Ų | 65.8 | 53% | 0.526 | 34% | 0.342 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 107 | 2.9 | 174.3 | 0 | 0 | 0 | 0 | 0 | 114.8 | L124 | L124-G128 PolarHBondContact O-N 3.39Š|
| 129 | D | 81.5 | Confident | 87.8 | Confident | 15 Ų | 15 | 64.5 Ų | 64.5 | 8% | 0.08 | 34% | 0.336 | C | S | . | . | trans | -61.3 | 136.6 | 178.3 | -52.2 | -36.8 | 0 | 0 | 0 | 110.9 | N94 T97 L124 V134 | N94-D129 PolarHBondContact ND2-OD1 3.13Å; N94-D129 PolarHBondContact OD1-OD1 3.1Å; T97-D129 PolarHBondContact OG1-OD1 2.89Å; L124-D129 HydrophobicContact CB-CB 4.42Å; D129-V134 HydrophobicContact CB-CG2 3.77Å | ||
| 130 | Y | 78.6 | Confident | 87.8 | Confident | 177 Ų | 177 | 60.2 Ų | 60.2 | 69% | 0.694 | 32% | 0.317 | S | S | * | . | trans | -75.1 | 158.7 | -174.7 | -66.1 | -80.3 | 0 | 0 | 0 | 112.2 | E132 E133 V134 | Y130-E132 VanDerWaalsContact C-N 3.26Å; Y130-E132 PolarHBondContact O-N 3.42Å; Y130-E132 VanDerWaalsContact O-N 3.15Å; Y130-E133 WeakPolarHBondContact CD2-OE2 3.49Å; Y130-E133 PolarHBondContact N-OE2 2.85Å; Y130-E133 WeakPolarHBondContact O-CB 3.37Å; Y130-E133 PolarHBondContact O-N 2.86Å; Y130-V134 WeakPolarHBondContact O-CG2 3.47Å; Y130-V134 PolarHBondContact O-N 3.01Å | ||
| 131 | G | 81.2 | Confident | 87.9 | Confident | 44 Ų | 44 | 60.2 Ų | 60.2 | 45% | 0.454 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -53.9 | -39.4 | -174.6 | 0 | 0 | 0 | 0 | 0 | 114.4 | D135 | G131-D135 WeakPolarHBondContact O-CB 3.45Å; G131-D135 VanDerWaalsContact O-CG 3.28Å; G131-D135 PolarHBondContact O-N 3.03Å |
| 132 | E | 83.3 | Confident | 87.8 | Confident | 176 Ų | 176 | 57.8 Ų | 57.8 | 82% | 0.822 | 32% | 0.318 | S | S | * | . | H | α-helix | trans | -71.2 | -37.4 | 177.9 | -63.4 | 176.7 | 178.1 | 0 | 0 | 112.7 | Y130 D135 H136 | Y130-E132 VanDerWaalsContact C-N 3.26Å; Y130-E132 PolarHBondContact O-N 3.42Å; Y130-E132 VanDerWaalsContact O-N 3.15Å; E132-D135 PolarHBondContact O-N 2.84Å; E132-H136 WeakPolarHBondContact O-CB 3.21Å; E132-H136 PolarHBondContact O-N 3.41Å |
| 133 | E | 86.6 | Confident | 87.9 | Confident | 94 Ų | 94 | 58 Ų | 58 | 44% | 0.439 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -66.6 | -44.7 | 175.5 | -60 | 176.9 | 136.3 | 0 | 0 | 110.6 | Y130 D135 H136 V137 | Y130-E133 WeakPolarHBondContact CD2-OE2 3.49Å; Y130-E133 PolarHBondContact N-OE2 2.85Å; Y130-E133 WeakPolarHBondContact O-CB 3.37Å; Y130-E133 PolarHBondContact O-N 2.86Å; E133-D135 VanDerWaalsContact C-N 3.33Å; E133-D135 PolarHBondContact O-N 2.88Å; E133-H136 PolarHBondContact O-N 3.09Å; E133-V137 WeakPolarHBondContact O-CG2 3.46Å; E133-V137 PolarHBondContact O-N 3.28Å |
| 134 | V | 91.5 | Very high | 88 | Confident | 0 Ų | 0 | 57.7 Ų | 57.7 | 0% | 0 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -62.4 | -41.4 | 176.2 | 176.6 | 0 | 0 | 0 | 0 | 111 | R121 L124 Q125 D129 Y130 V137 L138 | R121-V134 HydrophobicContact CB-CG1 4.16Å; R121-V134 HydrophobicContact CG-CG1 3.84Å; L124-V134 HydrophobicContact CB-CG1 4.37Å; L124-V134 HydrophobicContact CB-CG2 3.75Å; L124-V134 HydrophobicContact CD1-CG1 4.22Å; L124-V134 HydrophobicContact CD1-CG2 4.45Å; Q125-V134 HydrophobicContact CG-CG2 4.37Å; D129-V134 HydrophobicContact CB-CG2 3.77Å; Y130-V134 WeakPolarHBondContact O-CG2 3.47Å; Y130-V134 PolarHBondContact O-N 3.01Å; V134-V137 PolarHBondContact O-N 2.89Å; V134-L138 HydrophobicContact CG1-CD1 4.07Å; V134-L138 HydrophobicContact CG1-CG 4.47Å; V134-L138 WeakPolarHBondContact O-CB 3.38Å; V134-L138 VanDerWaalsContact O-CG 3.25Å; V134-L138 WeakPolarHBondContact O-CG 3.39Å; V134-L138 PolarHBondContact O-N 3.25Å |
| 135 | D | 90.8 | Very high | 88 | Confident | 69 Ų | 69 | 60.4 Ų | 60.4 | 37% | 0.369 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -74.4 | -29.4 | 180 | -73.8 | 2.3 | 0 | 0 | 0 | 112.6 | R121 G131 E132 E133 A139 | R121-D135 IonicContact CZ-OD1 3.46Å; R121-D135 IonicContact NE-OD1 3.87Å; R121-D135 PolarHBondContact NE-OD1 2.94Å; R121-D135 IonicContact NH2-OD1 2.77Å; R121-D135 PolarHBondContact NH2-OD1 2.97Å; R121-D135 IonicContact NH2-OD2 3.15Å; R121-D135 PolarHBondContact NH2-OD2 3.42Å; G131-D135 WeakPolarHBondContact O-CB 3.45Å; G131-D135 VanDerWaalsContact O-CG 3.28Å; G131-D135 PolarHBondContact O-N 3.03Å; E132-D135 PolarHBondContact O-N 2.84Å; E133-D135 VanDerWaalsContact C-N 3.33Å; E133-D135 PolarHBondContact O-N 2.88Å; D135-A139 VanDerWaalsContact O-CB 3.3Å; D135-A139 WeakPolarHBondContact O-CB 3.38Å; D135-A139 PolarHBondContact O-N 3.3Å |
| 136 | H | 90.8 | Very high | 87.8 | Confident | 79 Ų | 79 | 56.9 Ų | 56.9 | 37% | 0.366 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -62 | -48.9 | 166.2 | 175.9 | 98.3 | 0 | 0 | 0 | 111.5 | E52 L91 E132 E133 L138 A139 G140 | E52-H136 IonicContact OE1-CE1 3.94Å; E52-H136 IonicContact OE1-NE2 2.71Å; E52-H136 IonicContact OE2-CE1 3.65Å; E52-H136 PolarHBondContact OE2-CE1 2.87Å; E52-H136 VanDerWaalsContact OE2-CE1 3.31Å; E52-H136 IonicContact OE2-NE2 2.67Å; L91-H136 PolarHBondContact O-CD2 2.75Å; E132-H136 WeakPolarHBondContact O-CB 3.21Å; E132-H136 PolarHBondContact O-N 3.41Å; E133-H136 PolarHBondContact O-N 3.09Å; H136-L138 VanDerWaalsContact C-N 3.34Å; H136-L138 PolarHBondContact O-N 3.11Å; H136-A139 PolarHBondContact O-N 3.37Å; H136-G140 PolarHBondContact O-N 2.93Å |
| 137 | V | 92.2 | Very high | 87.7 | Confident | 7 Ų | 7 | 52.2 Ų | 52.2 | 4% | 0.042 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -61.5 | -42.1 | 178.2 | 174 | 0 | 0 | 0 | 0 | 111.2 | L91 I93 L124 E133 V134 G140 L141 | L91-V137 WeakPolarHBondContact O-CG2 3.43Å; I93-V137 HydrophobicContact CD1-CG1 4.04Å; I93-V137 HydrophobicContact CG1-CG1 4.19Å; I93-V137 HydrophobicContact CG1-CG2 3.8Å; L124-V137 HydrophobicContact CD1-CB 4.1Å; L124-V137 HydrophobicContact CD1-CG1 3.81Å; E133-V137 WeakPolarHBondContact O-CG2 3.46Å; E133-V137 PolarHBondContact O-N 3.28Å; V134-V137 PolarHBondContact O-N 2.89Å; V137-G140 PolarHBondContact O-N 3.21Å; V137-L141 HydrophobicContact CG1-CD1 4.14Å; V137-L141 WeakPolarHBondContact O-CG 3.35Å; V137-L141 PolarHBondContact O-N 3.25Å |
| 138 | L | 93.5 | Very high | 87.6 | Confident | 18 Ų | 18 | 49.3 Ų | 49.3 | 9% | 0.094 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -63.8 | -42.1 | 175.1 | -71.1 | 171.4 | 0 | 0 | 0 | 112.1 | D117 V120 R121 V134 H136 G140 L141 A142 | D117-L138 HydrophobicContact CB-CD2 3.89Å; V120-L138 HydrophobicContact CB-CD2 3.9Å; V120-L138 HydrophobicContact CG1-CD2 3.78Å; R121-L138 HydrophobicContact CB-CD1 4.1Å; V134-L138 HydrophobicContact CG1-CD1 4.07Å; V134-L138 HydrophobicContact CG1-CG 4.47Å; V134-L138 WeakPolarHBondContact O-CB 3.38Å; V134-L138 VanDerWaalsContact O-CG 3.25Å; V134-L138 WeakPolarHBondContact O-CG 3.39Å; V134-L138 PolarHBondContact O-N 3.25Å; H136-L138 VanDerWaalsContact C-N 3.34Å; H136-L138 PolarHBondContact O-N 3.11Å; L138-G140 VanDerWaalsContact C-N 3.32Å; L138-G140 PolarHBondContact O-N 3.46Å; L138-L141 PolarHBondContact O-N 2.74Å; L138-A142 VanDerWaalsContact O-CB 3.29Å; L138-A142 WeakPolarHBondContact O-CB 3.5Å; L138-A142 PolarHBondContact O-N 2.76Å |
| 139 | A | 92.1 | Very high | 87.5 | Confident | 57 Ų | 57 | 49.9 Ų | 49.9 | 47% | 0.471 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -63 | -38.3 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | D135 H136 K143 | D135-A139 VanDerWaalsContact O-CB 3.3Å; D135-A139 WeakPolarHBondContact O-CB 3.38Å; D135-A139 PolarHBondContact O-N 3.3Å; H136-A139 PolarHBondContact O-N 3.37Å; A139-K143 PolarHBondContact O-N 3.42Å |
| 140 | G | 92.8 | Very high | 87 | Confident | 3 Ų | 3 | 52.6 Ų | 52.6 | 3% | 0.031 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -62.8 | -49.1 | 172.4 | 0 | 0 | 0 | 0 | 0 | 112.7 | H136 V137 L138 A142 K143 I144 | H136-G140 PolarHBondContact O-N 2.93Å; V137-G140 PolarHBondContact O-N 3.21Å; L138-G140 VanDerWaalsContact C-N 3.32Å; L138-G140 PolarHBondContact O-N 3.46Å; G140-A142 PolarHBondContact O-N 3.4Å; G140-K143 WeakPolarHBondContact O-CB 3.42Å; G140-K143 PolarHBondContact O-N 3.41Å; G140-I144 WeakPolarHBondContact O-CG1 3.48Å; G140-I144 PolarHBondContact O-N 3.21Å |
| 141 | L | 92.9 | Very high | 86.6 | Confident | 0 Ų | 0 | 46.2 Ų | 46.2 | 0% | 0 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -61.4 | -43.2 | 176.1 | -72.4 | 169.2 | 0 | 0 | 0 | 112.4 | L91 F109 L112 L113 V120 V137 L138 K143 I144 R145 | L91-L141 HydrophobicContact CD1-CD2 3.73Å; L91-L141 HydrophobicContact CD1-CG 4.07Å; L91-L141 HydrophobicContact CD2-CG 4.34Å; F109-L141 HydrophobicContact CE2-CD2 4.48Å; L112-L141 HydrophobicContact CD2-CD1 3.97Å; L112-L141 HydrophobicContact CD2-CD2 4.31Å; L112-L141 HydrophobicContact CG-CD1 4.23Å; L113-L141 HydrophobicContact CD1-CD2 3.75Å; V120-L141 HydrophobicContact CG1-CD1 3.87Å; V137-L141 HydrophobicContact CG1-CD1 4.14Å; V137-L141 WeakPolarHBondContact O-CG 3.35Å; V137-L141 PolarHBondContact O-N 3.25Å; L138-L141 PolarHBondContact O-N 2.74Å; L141-K143 VanDerWaalsContact C-N 3.33Å; L141-K143 PolarHBondContact O-N 3.21Å; L141-I144 PolarHBondContact O-N 3.48Å; L141-R145 WeakPolarHBondContact O-CG 3.29Å; L141-R145 PolarHBondContact O-N 3.34Å |
| 142 | A | 90.8 | Very high | 85.9 | Confident | 51 Ų | 51 | 45.4 Ų | 45.4 | 42% | 0.421 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -61.1 | -40.6 | 175.6 | 0 | 0 | 0 | 0 | 0 | 111.7 | L138 G140 R145 G146 | L138-A142 VanDerWaalsContact O-CB 3.29Å; L138-A142 WeakPolarHBondContact O-CB 3.5Å; L138-A142 PolarHBondContact O-N 2.76Å; G140-A142 PolarHBondContact O-N 3.4Å; A142-R145 PolarHBondContact O-N 3.14Å; A142-G146 PolarHBondContact O-N 3.43Å |
| 143 | K | 91.6 | Very high | 85 | Confident | 82 Ų | 82 | 38.5 Ų | 38.5 | 36% | 0.357 | 22% | 0.216 | S | C | . | . | H | α-helix | trans | -60.5 | -53.1 | 170.4 | -98.4 | 173.2 | -178.1 | 167.8 | 0 | 111.8 | N53 F56 A139 G140 L141 R145 G146 N147 | N53-K143 WeakPolarHBondContact OD1-CD 3.26Å; N53-K143 VanDerWaalsContact OD1-CE 3.28Å; N53-K143 WeakPolarHBondContact OD1-CE 3.21Å; N53-K143 PolarHBondContact OD1-NZ 3.25Å; F56-K143 HydrophobicContact CD2-CB 4.27Å; F56-K143 HydrophobicContact CD2-CD 4.39Å; A139-K143 PolarHBondContact O-N 3.42Å; G140-K143 WeakPolarHBondContact O-CB 3.42Å; G140-K143 PolarHBondContact O-N 3.41Å; L141-K143 VanDerWaalsContact C-N 3.33Å; L141-K143 PolarHBondContact O-N 3.21Å; K143-R145 PolarHBondContact O-N 3.19Å; K143-G146 PolarHBondContact O-N 2.89Å; K143-G146 VanDerWaalsContact O-N 3.13Å; K143-N147 WeakPolarHBondContact O-CB 3.31Å; K143-N147 PolarHBondContact O-N 3.2Å; K143-N147 PolarHBondContact O-ND2 2.87Å; K143-N147 PolarHBondContact O-OD1 3.36Å; K143-N147 VanDerWaalsContact O-OD1 3.13Å |
| 144 | I | 91.1 | Very high | 83.4 | Confident | 0 Ų | 0 | 40.4 Ų | 40.4 | 0% | 0 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -57.1 | -38 | -179.4 | -63.9 | 166.1 | 0 | 0 | 0 | 111.2 | F56 L59 I63 L91 F109 L113 G140 L141 N147 I148 | F56-I144 HydrophobicContact CB-CD1 4.4Å; F56-I144 HydrophobicContact CB-CG1 3.67Å; F56-I144 HydrophobicContact CD1-CD1 3.79Å; F56-I144 HydrophobicContact CD1-CG1 4.01Å; F56-I144 HydrophobicContact CE1-CD1 4.39Å; F56-I144 HydrophobicContact CG-CD1 4.18Å; F56-I144 HydrophobicContact CG-CG1 3.87Å; L59-I144 HydrophobicContact CD1-CD1 4.11Å; I63-I144 HydrophobicContact CD1-CG2 4.43Å; L91-I144 HydrophobicContact CD2-CD1 4Å; L91-I144 HydrophobicContact CG-CD1 4.45Å; F109-I144 HydrophobicContact CE2-CD1 4.26Å; F109-I144 HydrophobicContact CZ-CD1 4.07Å; L113-I144 HydrophobicContact CD1-CB 4.09Å; L113-I144 HydrophobicContact CD1-CG2 3.83Å; L113-I144 HydrophobicContact CD2-CG2 4Å; G140-I144 WeakPolarHBondContact O-CG1 3.48Å; G140-I144 PolarHBondContact O-N 3.21Å; L141-I144 PolarHBondContact O-N 3.48Å; I144-N147 WeakPolarHBondContact O-CB 3.37Å; I144-I148 HydrophobicContact CG2-CD1 4Å; I144-I148 WeakPolarHBondContact O-CD1 3.43Å; I144-I148 WeakPolarHBondContact O-CG1 3.19Å; I144-I148 PolarHBondContact O-N 2.94Å |
| 145 | R | 88.8 | Confident | 81 | Confident | 57 Ų | 57 | 42.8 Ų | 42.8 | 22% | 0.215 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -66 | -50.3 | 174.2 | -69.2 | 170.1 | -174.9 | 149.2 | 2.5 | 112.9 | L113 M115 D117 L141 A142 K143 N147 I148 D149 | L113-R145 HydrophobicContact CD1-CG 3.84Å; L113-R145 HydrophobicContact CG-CG 4.34Å; L113-R145 VanDerWaalsContact O-CZ 3.29Å; L113-R145 PolarHBondContact O-NE 3.08Å; L113-R145 PolarHBondContact O-NH2 3.49Å; M115-R145 PolarHBondContact O-NH2 3.45Å; D117-R145 IonicContact OD1-CZ 3.65Å; D117-R145 IonicContact OD1-NH1 2.67Å; D117-R145 PolarHBondContact OD1-NH1 3.18Å; D117-R145 IonicContact OD1-NH2 3.91Å; D117-R145 IonicContact OD2-NH1 3.76Å; L141-R145 WeakPolarHBondContact O-CG 3.29Å; L141-R145 PolarHBondContact O-N 3.34Å; A142-R145 PolarHBondContact O-N 3.14Å; K143-R145 PolarHBondContact O-N 3.19Å; R145-N147 VanDerWaalsContact C-N 3.29Å; R145-N147 PolarHBondContact O-N 3.3Å; R145-I148 PolarHBondContact O-N 3.19Å; R145-D149 PolarHBondContact O-N 3.05Å |
| 146 | G | 84.6 | Confident | 78.6 | Confident | 31 Ų | 31 | 42.7 Ų | 42.7 | 32% | 0.32 | 25% | 0.25 | S | S | . | . | H | α-helix | trans | -61.3 | -38.9 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | A142 K143 D149 L150 | A142-G146 PolarHBondContact O-N 3.43Å; K143-G146 PolarHBondContact O-N 2.89Å; K143-G146 VanDerWaalsContact O-N 3.13Å; G146-D149 PolarHBondContact O-N 3.08Å; G146-L150 VanDerWaalsContact O-CG 3.32Å; G146-L150 WeakPolarHBondContact O-CG 3.5Å; G146-L150 PolarHBondContact O-N 3Å |
| 147 | N | 85.2 | Confident | 76.1 | Confident | 13 Ų | 13 | 41.1 Ų | 41.1 | 7% | 0.07 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -58.4 | -45 | 172.7 | -69.8 | -5.3 | 0 | 0 | 0 | 112.1 | F56 A60 K143 I144 R145 L150 I151 F157 | F56-N147 PolarHBondContact O-ND2 2.72Å; A60-N147 HydrophobicContact CB-CB 3.51Å; K143-N147 WeakPolarHBondContact O-CB 3.31Å; K143-N147 PolarHBondContact O-N 3.2Å; K143-N147 PolarHBondContact O-ND2 2.87Å; K143-N147 PolarHBondContact O-OD1 3.36Å; K143-N147 VanDerWaalsContact O-OD1 3.13Å; I144-N147 WeakPolarHBondContact O-CB 3.37Å; R145-N147 VanDerWaalsContact C-N 3.29Å; R145-N147 PolarHBondContact O-N 3.3Å; N147-L150 PolarHBondContact O-N 3.33Å; N147-I151 WeakPolarHBondContact O-CG1 3.32Å; N147-I151 PolarHBondContact O-N 3.06Å; N147-I151 VanDerWaalsContact O-N 3.14Å; N147-F157 HydrophobicContact CB-CE2 3.71Å; N147-F157 HydrophobicContact CB-CZ 3.4Å; N147-F157 VanDerWaalsContact CB-CZ 3.4Å |
| 148 | I | 82.4 | Confident | 73.9 | Confident | 12 Ų | 12 | 43 Ų | 43 | 6% | 0.062 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -65.7 | -46.1 | 175.7 | -69 | 160.5 | 0 | 0 | 0 | 110.7 | A60 I63 L113 I144 R145 L150 I151 E152 | A60-I148 HydrophobicContact CB-CG1 3.75Å; I63-I148 HydrophobicContact CB-CD1 4.1Å; I63-I148 HydrophobicContact CB-CG1 4.44Å; I63-I148 HydrophobicContact CD1-CD1 3.87Å; I63-I148 HydrophobicContact CG2-CD1 3.77Å; I63-I148 HydrophobicContact CG2-CG1 4.31Å; L113-I148 HydrophobicContact CD2-CD1 3.88Å; I144-I148 HydrophobicContact CG2-CD1 4Å; I144-I148 WeakPolarHBondContact O-CD1 3.43Å; I144-I148 WeakPolarHBondContact O-CG1 3.19Å; I144-I148 PolarHBondContact O-N 2.94Å; R145-I148 PolarHBondContact O-N 3.19Å; I148-L150 VanDerWaalsContact C-N 3.26Å; I148-L150 PolarHBondContact O-N 3.35Å; I148-I151 PolarHBondContact O-N 2.91Å; I148-E152 HydrophobicContact CG2-CG 4.21Å; I148-E152 VanDerWaalsContact CG2-OE1 3.24Å; I148-E152 WeakPolarHBondContact CG2-OE1 3.21Å; I148-E152 VanDerWaalsContact O-CB 3.31Å; I148-E152 WeakPolarHBondContact O-CB 3.49Å; I148-E152 WeakPolarHBondContact O-CG 3.19Å; I148-E152 PolarHBondContact O-N 3.43Å |
| 149 | D | 74.9 | Confident | 71.6 | Confident | 62 Ų | 62 | 44.8 Ų | 44.8 | 33% | 0.332 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -57 | -38.3 | 175.9 | -95.3 | -48.2 | 0 | 0 | 0 | 112 | R145 G146 S153 R593 | R145-D149 PolarHBondContact O-N 3.05Å; G146-D149 PolarHBondContact O-N 3.08Å; D149-S153 VanDerWaalsContact O-CB 3.28Å; D149-S153 WeakPolarHBondContact O-CB 3.15Å; D149-S153 PolarHBondContact O-N 3.45Å; D149-S153 VanDerWaalsContact O-N 3.12Å; D149-S153 PolarHBondContact O-OG 2.82Å; D149-R593 IonicContact OD1-CZ 3.71Å; D149-R593 VanDerWaalsContact OD1-CZ 3.26Å; D149-R593 IonicContact OD1-NE 2.66Å; D149-R593 PolarHBondContact OD1-NE 3.28Å; D149-R593 IonicContact OD1-NH2 3.79Å; D149-R593 PolarHBondContact OD1-NH2 3.24Å; D149-R593 IonicContact OD2-CZ 3.26Å; D149-R593 IonicContact OD2-NE 3.04Å; D149-R593 IonicContact OD2-NH2 2.73Å; D149-R593 PolarHBondContact OD2-NH2 3.05Å |
| 150 | L | 71.5 | Confident | 69.5 | Low | 72 Ų | 72 | 45.5 Ų | 45.5 | 38% | 0.377 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -65.6 | -55.2 | 176.5 | -74.9 | 167.7 | 0 | 0 | 0 | 112 | G146 N147 I148 E152 S153 L155 | G146-L150 VanDerWaalsContact O-CG 3.32Å; G146-L150 WeakPolarHBondContact O-CG 3.5Å; G146-L150 PolarHBondContact O-N 3Å; N147-L150 PolarHBondContact O-N 3.33Å; I148-L150 VanDerWaalsContact C-N 3.26Å; I148-L150 PolarHBondContact O-N 3.35Å; L150-E152 VanDerWaalsContact C-N 3.28Å; L150-E152 PolarHBondContact O-N 2.93Å; L150-S153 PolarHBondContact O-N 2.92Å; L150-S153 PolarHBondContact O-OG 3.38Å; L150-S153 VanDerWaalsContact O-OG 3.1Å; L150-L155 CarbonylContact C-O 3.6Å; L150-L155 HydrophobicContact CD2-CB 4.07Å; L150-L155 HydrophobicContact CD2-CD1 4.25Å; L150-L155 PolarHBondContact O-N 2.92Å; L150-L155 VanDerWaalsContact O-O 3.08Å |
| 151 | I | 69.8 | Low | 67.1 | Low | 43 Ų | 43 | 48.9 Ų | 48.9 | 22% | 0.221 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -54.2 | -48.5 | 177.1 | -58.8 | 159 | 0 | 0 | 0 | 110.2 | A60 Q61 S64 N147 I148 S153 D154 F157 | A60-I151 VanDerWaalsContact C-CD1 3.47Å; A60-I151 HydrophobicContact CB-CD1 3.8Å; A60-I151 WeakPolarHBondContact O-CD1 3.37Å; Q61-I151 HydrophobicContact CB-CD1 4.49Å; Q61-I151 HydrophobicContact CG-CD1 3.94Å; S64-I151 VanDerWaalsContact OG-CG2 3.23Å; S64-I151 WeakPolarHBondContact OG-CG2 3.44Å; N147-I151 WeakPolarHBondContact O-CG1 3.32Å; N147-I151 PolarHBondContact O-N 3.06Å; N147-I151 VanDerWaalsContact O-N 3.14Å; I148-I151 PolarHBondContact O-N 2.91Å; I151-S153 PolarHBondContact O-N 2.91Å; I151-D154 PolarHBondContact O-N 3.22Å; I151-F157 HydrophobicContact CD1-CD2 3.89Å; I151-F157 HydrophobicContact CD1-CE2 3.73Å; I151-F157 HydrophobicContact CG1-CD2 3.49Å; I151-F157 VanDerWaalsContact CG1-CD2 3.49Å; I151-F157 HydrophobicContact CG1-CE2 3.75Å |
| 152 | E | 67.7 | Low | 64.7 | Low | 27 Ų | 27 | 50.7 Ų | 50.7 | 13% | 0.126 | 28% | 0.283 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -73.7 | -5.7 | -176.2 | -68.9 | -176.8 | -171.7 | 0 | 0 | 114.3 | I148 L150 K581 R591 | I148-E152 HydrophobicContact CG2-CG 4.21Å; I148-E152 VanDerWaalsContact CG2-OE1 3.24Å; I148-E152 WeakPolarHBondContact CG2-OE1 3.21Å; I148-E152 VanDerWaalsContact O-CB 3.31Å; I148-E152 WeakPolarHBondContact O-CB 3.49Å; I148-E152 WeakPolarHBondContact O-CG 3.19Å; I148-E152 PolarHBondContact O-N 3.43Å; L150-E152 VanDerWaalsContact C-N 3.28Å; L150-E152 PolarHBondContact O-N 2.93Å; E152-K581 HydrophobicContact CG-CD 4.4Å; E152-K581 IonicContact OE1-NZ 2.64Å; E152-K581 PolarHBondContact OE1-NZ 2.98Å; E152-K581 VanDerWaalsContact OE2-CD 3.22Å; E152-K581 WeakPolarHBondContact OE2-CD 3.3Å; E152-K581 WeakPolarHBondContact OE2-CE 3.3Å; E152-K581 IonicContact OE2-NZ 2.83Å; E152-K581 PolarHBondContact OE2-NZ 3.4Å; E152-R591 PolarHBondContact O-NE 3.3Å; E152-R591 PolarHBondContact O-NH2 2.87Å |
| 153 | S | 63.4 | Low | 62.9 | Low | 32 Ų | 32 | 51.5 Ų | 51.5 | 22% | 0.224 | 28% | 0.281 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -103.5 | 9.3 | 174 | 51.8 | 0 | 0 | 0 | 0 | 114.1 | D149 L150 I151 L155 | D149-S153 VanDerWaalsContact O-CB 3.28Å; D149-S153 WeakPolarHBondContact O-CB 3.15Å; D149-S153 PolarHBondContact O-N 3.45Å; D149-S153 VanDerWaalsContact O-N 3.12Å; D149-S153 PolarHBondContact O-OG 2.82Å; L150-S153 PolarHBondContact O-N 2.92Å; L150-S153 PolarHBondContact O-OG 3.38Å; L150-S153 VanDerWaalsContact O-OG 3.1Å; I151-S153 PolarHBondContact O-N 2.91Å; S153-L155 WeakPolarHBondContact O-CD2 3.29Å; S153-L155 PolarHBondContact O-N 2.89Å; S153-L155 WeakPolarHBondContact OG-CD1 3.29Å; S153-L155 VanDerWaalsContact OG-CG 3.29Å; S153-L155 WeakPolarHBondContact OG-CG 3.23Å |
| 154 | D | 53.2 | Low | 60.7 | Low | 134 Ų | 134 | 51.7 Ų | 51.7 | 72% | 0.717 | 29% | 0.285 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 62.5 | 20.7 | -175.2 | -49 | -76.3 | 0 | 0 | 0 | 112.4 | I151 R591 | I151-D154 PolarHBondContact O-N 3.22Å; D154-R591 IonicContact OD2-NH2 2.71Å; D154-R591 PolarHBondContact OD2-NH2 3.07Å; D154-R591 VanDerWaalsContact OD2-NH2 3.15Å |
| 155 | L | 41.3 | Very low | 58.5 | Low | 50 Ų | 50 | 56.5 Ų | 56.5 | 26% | 0.262 | 31% | 0.309 | S | S | . | . | trans | -98.1 | 95.2 | 176.5 | -41.8 | -177 | 0 | 0 | 0 | 106.1 | L150 S153 W1028 | L150-L155 CarbonylContact C-O 3.6Å; L150-L155 HydrophobicContact CD2-CB 4.07Å; L150-L155 HydrophobicContact CD2-CD1 4.25Å; L150-L155 PolarHBondContact O-N 2.92Å; L150-L155 VanDerWaalsContact O-O 3.08Å; S153-L155 WeakPolarHBondContact O-CD2 3.29Å; S153-L155 PolarHBondContact O-N 2.89Å; S153-L155 WeakPolarHBondContact OG-CD1 3.29Å; S153-L155 VanDerWaalsContact OG-CG 3.29Å; S153-L155 WeakPolarHBondContact OG-CG 3.23Å; L155-W1028 HydrophobicContact CB-CH2 4.04Å; L155-W1028 HydrophobicContact CB-CZ2 4.07Å; L155-W1028 HydrophobicContact CD1-CZ2 3.9Å; L155-W1028 HydrophobicContact CD2-CH2 3.54Å; L155-W1028 HydrophobicContact CD2-CZ2 3.65Å; L155-W1028 HydrophobicContact CG-CH2 4.18Å; L155-W1028 HydrophobicContact CG-CZ2 4.04Å | ||
| 156 | A | 39.1 | Very low | 56.5 | Low | 66 Ų | 66 | 55.4 Ų | 55.4 | 55% | 0.545 | 31% | 0.306 | S | S | . | . | trans | -53.7 | 147.1 | -169.3 | 0 | 0 | 0 | 0 | 0 | 112.8 | E158 | A156-E158 VanDerWaalsContact C-N 3.3Å; A156-E158 HydrophobicContact CB-CG 4.41Å; A156-E158 PolarHBondContact O-N 3.17Å | ||
| 157 | F | 40.3 | Very low | 54.6 | Low | 46 Ų | 46 | 58 Ų | 58 | 20% | 0.202 | 31% | 0.312 | C | S | . | . | trans | -68.1 | 89.5 | 169.1 | -115.1 | -71.2 | 0 | 0 | 0 | 109.7 | E57 A60 N147 I151 | E57-F157 HydrophobicContact CB-CD1 4.36Å; E57-F157 HydrophobicContact CB-CE1 3.74Å; E57-F157 HydrophobicContact CB-CE2 4.16Å; E57-F157 HydrophobicContact CB-CZ 3.54Å; E57-F157 HydrophobicContact CG-CD1 4.14Å; E57-F157 HydrophobicContact CG-CE1 3.34Å; E57-F157 HydrophobicContact CG-CZ 3.56Å; E57-F157 WeakPolarHBondContact OE1-CE1 3.34Å; A60-F157 HydrophobicContact CB-CE2 4.23Å; N147-F157 HydrophobicContact CB-CE2 3.71Å; N147-F157 HydrophobicContact CB-CZ 3.4Å; N147-F157 VanDerWaalsContact CB-CZ 3.4Å; I151-F157 HydrophobicContact CD1-CD2 3.89Å; I151-F157 HydrophobicContact CD1-CE2 3.73Å; I151-F157 HydrophobicContact CG1-CD2 3.49Å; I151-F157 VanDerWaalsContact CG1-CD2 3.49Å; I151-F157 HydrophobicContact CG1-CE2 3.75Å | ||
| 158 | E | 45.6 | Very low | 52.7 | Low | 47 Ų | 47 | 61 Ų | 61 | 22% | 0.22 | 33% | 0.331 | C | S | . | . | trans | -98.5 | 100.9 | 170.2 | -68.6 | 175.4 | 170.3 | 0 | 0 | 107.3 | A156 D160 T161 Y1031 | A156-E158 VanDerWaalsContact C-N 3.3Å; A156-E158 HydrophobicContact CB-CG 4.41Å; A156-E158 PolarHBondContact O-N 3.17Å; E158-D160 PolarHBondContact O-N 3.34Å; E158-T161 PolarHBondContact O-N 3.42Å; E158-T161 PolarHBondContact O-OG1 3.01Å; E158-Y1031 WeakPolarHBondContact OE1-CE1 3.35Å | ||
| 159 | D | 45.2 | Very low | 51 | Low | 55 Ų | 55 | 65.9 Ų | 65.9 | 29% | 0.294 | 36% | 0.355 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -43.1 | -34.7 | 176.7 | -84.8 | -79.3 | 0 | 0 | 0 | 112.8 | K54 T161 R162 N163 | K54-D159 IonicContact NZ-OD1 3.81Å; K54-D159 PolarHBondContact NZ-OD1 3.33Å; K54-D159 IonicContact NZ-OD2 2.66Å; K54-D159 PolarHBondContact NZ-OD2 3.4Å; D159-T161 PolarHBondContact O-N 3.15Å; D159-R162 PolarHBondContact O-N 3.26Å; D159-R162 IonicContact OD1-NH1 3.35Å; D159-N163 PolarHBondContact O-N 3.37Å |
| 160 | D | 46.9 | Very low | 49.8 | Very low | 73 Ų | 73 | 70 Ų | 70 | 39% | 0.39 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -41.9 | -33.7 | 173.1 | -66.7 | -15.8 | 0 | 0 | 0 | 113.5 | E158 R162 N163 L164 Y1031 | E158-D160 PolarHBondContact O-N 3.34Å; D160-R162 PolarHBondContact O-N 2.99Å; D160-N163 PolarHBondContact O-N 2.92Å; D160-L164 WeakPolarHBondContact O-CA 3.33Å; D160-L164 WeakPolarHBondContact O-CB 3.13Å; D160-L164 PolarHBondContact O-N 2.91Å; D160-Y1031 WeakPolarHBondContact OD2-CB 3.4Å |
| 161 | T | 43.8 | Very low | 48.1 | Very low | 74 Ų | 74 | 72.1 Ų | 72.1 | 45% | 0.454 | 38% | 0.377 | S | S | . | . | H | α-helix | trans | -64.5 | -39.4 | 178.3 | -48.4 | 0 | 0 | 0 | 0 | 112.1 | E158 D159 I165 | E158-T161 PolarHBondContact O-N 3.42Å; E158-T161 PolarHBondContact O-OG1 3.01Å; D159-T161 PolarHBondContact O-N 3.15Å; T161-I165 HydrophobicContact CG2-CD1 4.4Å; T161-I165 VanDerWaalsContact O-CG1 3.3Å; T161-I165 WeakPolarHBondContact O-CG1 3.42Å; T161-I165 PolarHBondContact O-N 3.42Å |
| 162 | R | 42.1 | Very low | 46.7 | Very low | 38 Ų | 38 | 73.8 Ų | 73.8 | 14% | 0.143 | 39% | 0.392 | C | S | . | . | H | α-helix | trans | -75.2 | -38.9 | 177.8 | -170.9 | -174.8 | -61.9 | 105.6 | -0.5 | 111.1 | N53 E57 D159 D160 I165 K166 | N53-R162 VanDerWaalsContact CG-CD 3.45Å; N53-R162 PolarHBondContact OD1-NE 2.99Å; E57-R162 IonicContact OE1-CZ 2.71Å; E57-R162 IonicContact OE1-NH1 3.64Å; E57-R162 PolarHBondContact OE1-NH1 3.06Å; E57-R162 IonicContact OE1-NH2 3.13Å; E57-R162 PolarHBondContact OE1-NH2 2.73Å; D159-R162 PolarHBondContact O-N 3.26Å; D159-R162 IonicContact OD1-NH1 3.35Å; D160-R162 PolarHBondContact O-N 2.99Å; R162-I165 PolarHBondContact O-N 2.93Å; R162-K166 PolarHBondContact O-N 2.85Å |
| 163 | N | 52 | Low | 45.5 | Very low | 68 Ų | 68 | 78.1 Ų | 78.1 | 36% | 0.364 | 42% | 0.416 | S | S | . | . | H | α-helix | trans | -66.3 | -37.8 | 174.9 | -73.1 | -32.3 | 0 | 0 | 0 | 111.8 | D159 D160 K166 L167 | D159-N163 PolarHBondContact O-N 3.37Å; D160-N163 PolarHBondContact O-N 2.92Å; N163-K166 PolarHBondContact O-N 3.23Å; N163-L167 WeakPolarHBondContact O-CB 3.44Å; N163-L167 PolarHBondContact O-N 2.91Å |
| 164 | L | 45.5 | Very low | 44.1 | Very low | 85 Ų | 85 | 81.8 Ų | 81.8 | 45% | 0.445 | 43% | 0.433 | S | S | . | . | H | α-helix | trans | -68.2 | -38.5 | 175 | -172.9 | 65.8 | 0 | 0 | 0 | 111.4 | D160 L167 V168 | D160-L164 WeakPolarHBondContact O-CA 3.33Å; D160-L164 WeakPolarHBondContact O-CB 3.13Å; D160-L164 PolarHBondContact O-N 2.91Å; L164-L167 PolarHBondContact O-N 3.33Å; L164-V168 HydrophobicContact CD1-CG2 4.27Å; L164-V168 HydrophobicContact CG-CG2 4.33Å; L164-V168 VanDerWaalsContact O-CB 3.25Å; L164-V168 WeakPolarHBondContact O-CB 3.49Å; L164-V168 WeakPolarHBondContact O-CG2 3.43Å; L164-V168 PolarHBondContact O-N 3.02Å |
| 165 | I | 45.8 | Very low | 43.2 | Very low | 101 Ų | 101 | 83.1 Ų | 83.1 | 52% | 0.518 | 44% | 0.441 | S | S | . | . | H | α-helix | trans | -65.7 | -46.2 | 172.3 | -69.5 | 165.4 | 0 | 0 | 0 | 110.8 | T161 R162 L167 V168 M169 | T161-I165 HydrophobicContact CG2-CD1 4.4Å; T161-I165 VanDerWaalsContact O-CG1 3.3Å; T161-I165 WeakPolarHBondContact O-CG1 3.42Å; T161-I165 PolarHBondContact O-N 3.42Å; R162-I165 PolarHBondContact O-N 2.93Å; I165-L167 VanDerWaalsContact C-N 3.28Å; I165-L167 PolarHBondContact O-N 2.89Å; I165-V168 PolarHBondContact O-N 3.36Å; I165-M169 HydrophobicContact CG2-SD 4.18Å; I165-M169 WeakPolarHBondContact O-CG 3.46Å; I165-M169 PolarHBondContact O-N 2.56Å |
| 166 | K | 46.1 | Very low | 42.8 | Very low | 34 Ų | 34 | 85.3 Ų | 85.3 | 15% | 0.148 | 46% | 0.46 | C | S | . | . | H | α-helix | trans | -59.9 | -37.6 | 174.2 | -77.4 | -177.5 | 169.8 | -175.4 | 0 | 112.3 | D50 R162 N163 R170 | D50-K166 IonicContact OD1-NZ 3.76Å; D50-K166 PolarHBondContact OD1-NZ 3.21Å; R162-K166 PolarHBondContact O-N 2.85Å; N163-K166 PolarHBondContact O-N 3.23Å; K166-R170 WeakPolarHBondContact O-CD 3.42Å; K166-R170 VanDerWaalsContact O-CG 3.28Å; K166-R170 WeakPolarHBondContact O-CG 3.46Å; K166-R170 PolarHBondContact O-N 3.25Å |
| 167 | L | 45.7 | Very low | 42.5 | Very low | 86 Ų | 86 | 88.2 Ų | 88.2 | 45% | 0.45 | 46% | 0.462 | S | S | . | . | H | α-helix | trans | -72.3 | -44 | 177.5 | -173.5 | 70.8 | 0 | 0 | 0 | 111.7 | N163 L164 I165 R170 L171 | N163-L167 WeakPolarHBondContact O-CB 3.44Å; N163-L167 PolarHBondContact O-N 2.91Å; L164-L167 PolarHBondContact O-N 3.33Å; I165-L167 VanDerWaalsContact C-N 3.28Å; I165-L167 PolarHBondContact O-N 2.89Å; L167-R170 PolarHBondContact O-N 2.87Å; L167-L171 HydrophobicContact CD1-CD1 4.23Å; L167-L171 HydrophobicContact CD1-CG 4.49Å; L167-L171 HydrophobicContact CD2-CD1 4.38Å; L167-L171 HydrophobicContact CG-CD1 3.84Å; L167-L171 HydrophobicContact CG-CG 4.41Å; L167-L171 WeakPolarHBondContact O-CB 3.37Å; L167-L171 VanDerWaalsContact O-CG 3.25Å; L167-L171 WeakPolarHBondContact O-CG 3.43Å; L167-L171 PolarHBondContact O-N 3.16Å |
| 168 | V | 45.4 | Very low | 42.3 | Very low | 75 Ų | 75 | 91.5 Ų | 91.5 | 46% | 0.455 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -66.3 | -36.8 | 177.9 | 166.8 | 0 | 0 | 0 | 0 | 111.3 | L164 I165 L171 S172 | L164-V168 HydrophobicContact CD1-CG2 4.27Å; L164-V168 HydrophobicContact CG-CG2 4.33Å; L164-V168 VanDerWaalsContact O-CB 3.25Å; L164-V168 WeakPolarHBondContact O-CB 3.49Å; L164-V168 WeakPolarHBondContact O-CG2 3.43Å; L164-V168 PolarHBondContact O-N 3.02Å; I165-V168 PolarHBondContact O-N 3.36Å; V168-L171 CarbonylContact O-C 3.56Å; V168-L171 PolarHBondContact O-N 3.06Å; V168-S172 VanDerWaalsContact O-CB 3.28Å; V168-S172 WeakPolarHBondContact O-CB 3.12Å; V168-S172 PolarHBondContact O-N 3.49Å; V168-S172 PolarHBondContact O-OG 2.89Å |
| 169 | M | 46.2 | Very low | 41.8 | Very low | 115 Ų | 115 | 97.3 Ų | 97.3 | 57% | 0.567 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -61.4 | -55.3 | 171.4 | -71.7 | 178.3 | 68.7 | 0 | 0 | 110.8 | I165 L171 S172 D173 | I165-M169 HydrophobicContact CG2-SD 4.18Å; I165-M169 WeakPolarHBondContact O-CG 3.46Å; I165-M169 PolarHBondContact O-N 2.56Å; M169-L171 VanDerWaalsContact C-N 3.26Å; M169-L171 PolarHBondContact O-N 3.31Å; M169-S172 WeakPolarHBondContact O-CA 3.35Å; M169-S172 PolarHBondContact O-N 2.78Å; M169-D173 PolarHBondContact O-N 3.38Å |
| 170 | R | 49.3 | Very low | 41.3 | Very low | 148 Ų | 148 | 100.3 Ų | 100.3 | 56% | 0.558 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -52.7 | -42 | 175.8 | -71.2 | 168.9 | -177.8 | 166.6 | -0.9 | 113.1 | K166 L167 S172 | K166-R170 WeakPolarHBondContact O-CD 3.42Å; K166-R170 VanDerWaalsContact O-CG 3.28Å; K166-R170 WeakPolarHBondContact O-CG 3.46Å; K166-R170 PolarHBondContact O-N 3.25Å; L167-R170 PolarHBondContact O-N 2.87Å; R170-S172 VanDerWaalsContact C-N 3.3Å; R170-S172 PolarHBondContact O-N 3.12Å |
| 171 | L | 36.9 | Very low | 40.6 | Very low | 117 Ų | 117 | 103 Ų | 103 | 61% | 0.613 | 54% | 0.539 | S | S | * | . | H | α-helix | trans | -79.3 | -5 | 178 | -67.2 | 175.1 | 0 | 0 | 0 | 114.4 | L167 V168 M169 | L167-L171 HydrophobicContact CD1-CD1 4.23Å; L167-L171 HydrophobicContact CD1-CG 4.49Å; L167-L171 HydrophobicContact CD2-CD1 4.38Å; L167-L171 HydrophobicContact CG-CD1 3.84Å; L167-L171 HydrophobicContact CG-CG 4.41Å; L167-L171 WeakPolarHBondContact O-CB 3.37Å; L167-L171 VanDerWaalsContact O-CG 3.25Å; L167-L171 WeakPolarHBondContact O-CG 3.43Å; L167-L171 PolarHBondContact O-N 3.16Å; V168-L171 CarbonylContact O-C 3.56Å; V168-L171 PolarHBondContact O-N 3.06Å; M169-L171 VanDerWaalsContact C-N 3.26Å; M169-L171 PolarHBondContact O-N 3.31Å |
| 172 | S | 39.3 | Very low | 40 | Very low | 78 Ų | 78 | 104.6 Ų | 104.6 | 55% | 0.545 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -102 | -21.7 | 173.9 | -57.4 | 0 | 0 | 0 | 0 | 112.6 | V168 M169 R170 | V168-S172 VanDerWaalsContact O-CB 3.28Å; V168-S172 WeakPolarHBondContact O-CB 3.12Å; V168-S172 PolarHBondContact O-N 3.49Å; V168-S172 PolarHBondContact O-OG 2.89Å; M169-S172 WeakPolarHBondContact O-CA 3.35Å; M169-S172 PolarHBondContact O-N 2.78Å; R170-S172 VanDerWaalsContact C-N 3.3Å; R170-S172 PolarHBondContact O-N 3.12Å |
| 173 | D | 42 | Very low | 39.7 | Very low | 118 Ų | 118 | 108.2 Ų | 108.2 | 63% | 0.631 | 57% | 0.567 | S | S | * | * | H | α-helix | trans | -83.3 | -20.5 | 177.2 | -62 | -40 | 0 | 0 | 0 | 112.4 | M169 D175 | M169-D173 PolarHBondContact O-N 3.38Å; D173-D175 VanDerWaalsContact C-N 3.34Å; D173-D175 PolarHBondContact O-N 3.16Å |
| 174 | D | 35.5 | Very low | 39 | Very low | 109 Ų | 109 | 110.4 Ų | 110.4 | 58% | 0.583 | 58% | 0.578 | S | S | * | * | trans | -79.4 | 2.4 | -173.1 | -98.3 | -18.5 | 0 | 0 | 0 | 116.1 | S176 | D174-S176 PolarHBondContact O-N 2.84Š| ||
| 175 | D | 32.4 | Very low | 38.3 | Very low | 163 Ų | 163 | 113.4 Ų | 113.4 | 87% | 0.872 | 59% | 0.594 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -78.1 | 23 | -176.8 | -120.5 | -4.6 | 0 | 0 | 0 | 113.7 | D173 | D173-D175 VanDerWaalsContact C-N 3.34Å; D173-D175 PolarHBondContact O-N 3.16Å |
| 176 | S | 34.3 | Very low | 37.6 | Very low | 96 Ų | 96 | 115.3 Ų | 115.3 | 67% | 0.671 | 61% | 0.605 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -139.9 | -8.2 | -170.3 | 66.2 | 0 | 0 | 0 | 0 | 118.4 | D174 | D174-S176 PolarHBondContact O-N 2.84Š|
| 177 | Q | 33.3 | Very low | 36.7 | Very low | 126 Ų | 126 | 117.4 Ų | 117.4 | 59% | 0.589 | 63% | 0.628 | S | S | * | * | trans | -114.9 | 17.5 | -173.1 | -65.2 | -164.7 | 3.9 | 0 | 0 | 116.5 | E179 E180 | Q177-E179 PolarHBondContact O-N 2.62Å; Q177-E180 PolarHBondContact O-N 2.74Å | ||
| 178 | V | 34.7 | Very low | 35.9 | Very low | 115 Ų | 115 | 122.4 Ų | 122.4 | 70% | 0.697 | 65% | 0.649 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -65.7 | -20.5 | -177.7 | -178.7 | 0 | 0 | 0 | 0 | 113.8 | N182 | V178-N182 PolarHBondContact O-ND2 3.05Š|
| 179 | E | 34.9 | Very low | 35.1 | Very low | 170 Ų | 170 | 125.9 Ų | 125.9 | 79% | 0.794 | 66% | 0.664 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -85.1 | -21.1 | 176.2 | -69.2 | -165.9 | 122.1 | 0 | 0 | 114.3 | Q177 N183 | Q177-E179 PolarHBondContact O-N 2.62Å; E179-N183 PolarHBondContact O-ND2 3.34Å |
| 180 | E | 35.7 | Very low | 34.2 | Very low | 117 Ų | 117 | 130.3 Ų | 130.3 | 55% | 0.547 | 68% | 0.676 | S | S | . | * | H | α-helix | trans | -82.5 | -36 | -173.6 | -164.4 | 148.1 | -156.6 | 0 | 0 | 112.3 | Q177 N182 N183 I184 | Q177-E180 PolarHBondContact O-N 2.74Å; E180-N182 VanDerWaalsContact C-N 3.28Å; E180-N182 PolarHBondContact O-N 3.32Å; E180-N183 PolarHBondContact O-N 3.37Å; E180-I184 HydrophobicContact CG-CD1 4.24Å; E180-I184 PolarHBondContact O-N 3.06Å; E180-I184 VanDerWaalsContact O-N 3.14Å |
| 181 | L | 31.5 | Very low | 33.3 | Very low | 131 Ų | 131 | 131.2 Ų | 131.2 | 69% | 0.686 | 69% | 0.686 | S | S | * | * | H | α-helix | trans | -62.7 | -30.9 | 179.6 | -141.4 | 77.8 | 0 | 0 | 0 | 113.6 | L185 | L181-L185 PolarHBondContact O-N 2.89Å |
| 182 | N | 32.4 | Very low | 33 | Very low | 107 Ų | 107 | 132.1 Ų | 132.1 | 57% | 0.572 | 69% | 0.687 | S | S | * | * | H | α-helix | trans | -76.4 | -23.4 | 176.7 | -78 | -64.4 | 0 | 0 | 0 | 113.2 | V178 E180 N186 | V178-N182 PolarHBondContact O-ND2 3.05Å; E180-N182 VanDerWaalsContact C-N 3.28Å; E180-N182 PolarHBondContact O-N 3.32Å; N182-N186 PolarHBondContact O-ND2 3.48Å |
| 183 | N | 35 | Very low | 32.4 | Very low | 113 Ų | 113 | 137.8 Ų | 137.8 | 60% | 0.604 | 70% | 0.697 | S | S | * | * | H | α-helix | trans | -82.6 | -37.9 | 176.6 | -74.7 | -61 | 0 | 0 | 0 | 111.5 | E179 E180 L185 N186 | E179-N183 PolarHBondContact O-ND2 3.34Å; E180-N183 PolarHBondContact O-N 3.37Å; N183-L185 VanDerWaalsContact C-N 3.27Å; N183-L185 PolarHBondContact O-N 3.2Å; N183-N186 PolarHBondContact O-N 2.96Å |
| 184 | I | 36.6 | Very low | 31.8 | Very low | 114 Ų | 114 | 142.1 Ų | 142.1 | 59% | 0.585 | 71% | 0.71 | S | S | * | * | H | α-helix | trans | -62.5 | -33.8 | 176 | -66.4 | 169.7 | 0 | 0 | 0 | 111.8 | E180 N186 | E180-I184 HydrophobicContact CG-CD1 4.24Å; E180-I184 PolarHBondContact O-N 3.06Å; E180-I184 VanDerWaalsContact O-N 3.14Å; I184-N186 PolarHBondContact O-N 2.59Å |
| 185 | L | 31.6 | Very low | 31.4 | Very low | 149 Ų | 149 | 144.2 Ų | 144.2 | 78% | 0.78 | 72% | 0.721 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -70.8 | -11 | 179.1 | -127.1 | 76.7 | 0 | 0 | 0 | 115 | L181 N183 | L181-L185 PolarHBondContact O-N 2.89Å; N183-L185 VanDerWaalsContact C-N 3.27Å; N183-L185 PolarHBondContact O-N 3.2Å |
| 186 | N | 30.8 | Very low | 31.9 | Very low | 141 Ų | 141 | 140.5 Ų | 140.5 | 75% | 0.754 | 71% | 0.706 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -110.3 | 6.3 | -175.5 | -76.1 | -72.7 | 0 | 0 | 0 | 114.1 | N182 N183 I184 | N182-N186 PolarHBondContact O-ND2 3.48Å; N183-N186 PolarHBondContact O-N 2.96Å; I184-N186 PolarHBondContact O-N 2.59Å |
| 187 | A | 28.1 | Very low | 31.7 | Very low | 77 Ų | 77 | 146.2 Ų | 146.2 | 64% | 0.636 | 71% | 0.713 | S | S | * | * | trans | -119.8 | 64.2 | -170.9 | 0 | 0 | 0 | 0 | 0 | 114 | ||||
| 188 | Q | 28.2 | Very low | 31.7 | Very low | 192 Ų | 192 | 147.5 Ų | 147.5 | 90% | 0.897 | 72% | 0.722 | S | S | * | * | trans | -134 | 68.4 | 169.6 | -74.6 | -158.6 | -20 | 0 | 0 | 113.5 | ||||
| 189 | I | 27.8 | Very low | 31.4 | Very low | 148 Ų | 148 | 147.3 Ų | 147.3 | 76% | 0.759 | 72% | 0.723 | S | S | * | * | trans | -140.7 | 116 | 167.7 | -72.1 | -174.7 | 0 | 0 | 0 | 108.4 | ||||
| 190 | Y | 28.4 | Very low | 31.3 | Very low | 208 Ų | 208 | 145.3 Ų | 145.3 | 82% | 0.816 | 73% | 0.725 | S | S | * | * | trans | 64.2 | 142.6 | -178.6 | -70.7 | -73.9 | 0 | 0 | 0 | 116.4 | ||||
| 191 | E | 30 | Very low | 31.1 | Very low | 167 Ų | 167 | 147.5 Ų | 147.5 | 78% | 0.78 | 74% | 0.74 | S | S | * | * | cis | -150.2 | 175.3 | -7.5 | -160.6 | 162.6 | -119.6 | 0 | 0 | 111.9 | ||||
| 192 | E | 30.3 | Very low | 31 | Very low | 135 Ų | 135 | 152.3 Ų | 152.3 | 63% | 0.631 | 75% | 0.75 | S | S | * | * | trans | -65.4 | 170.3 | 177.1 | -68.1 | -159.7 | 130.1 | 0 | 0 | 115.5 | ||||
| 193 | R | 27.5 | Very low | 31.1 | Very low | 197 Ų | 197 | 153.9 Ų | 153.9 | 74% | 0.743 | 76% | 0.764 | S | S | * | * | cis | -169.6 | 148.6 | 1.3 | -122.5 | 174.8 | -151.8 | 168.5 | 21.8 | 109.6 | ||||
| 194 | K | 29.6 | Very low | 30.9 | Very low | 210 Ų | 210 | 155.1 Ų | 155.1 | 91% | 0.913 | 78% | 0.775 | S | S | * | * | 170.3 | 145.2 | 123.7 | -96 | 165.8 | -175.8 | 171.5 | 0 | 114.7 | |||||
| 195 | D | 26.8 | Very low | 30.6 | Very low | 152 Ų | 152 | 152.6 Ų | 152.6 | 81% | 0.813 | 78% | 0.778 | S | S | * | * | trans | -145 | -167.8 | 179.6 | -156.1 | 31.5 | 0 | 0 | 0 | 106 | ||||
| 196 | P | 42 | Very low | 30.9 | Very low | 86 Ų | 86 | 152 Ų | 152 | 56% | 0.558 | 78% | 0.783 | S | S | * | * | cis | -143.4 | 164 | -0.5 | 44 | -25.6 | 0 | 0 | 0 | 119.6 | ||||
| 197 | R | 31.2 | Very low | 30.8 | Very low | 215 Ų | 215 | 153.7 Ų | 153.7 | 81% | 0.811 | 79% | 0.786 | S | S | * | * | trans | 146.4 | 141.9 | 140.3 | -83.3 | 168.1 | -77.4 | -165.8 | -2.6 | 111.1 | ||||
| 198 | I | 31.9 | Very low | 31 | Very low | 154 Ų | 154 | 157.8 Ų | 157.8 | 79% | 0.79 | 80% | 0.797 | S | S | * | * | cis | -150.6 | 165.9 | 18.3 | -127.5 | 152.4 | 0 | 0 | 0 | 110 | ||||
| 199 | P | 30.1 | Very low | 31.9 | Very low | 110 Ų | 110 | 154 Ų | 154 | 71% | 0.714 | 79% | 0.789 | S | S | * | * | trans | -101.5 | 165.2 | -140 | 38.6 | -40.4 | 0 | 0 | 0 | 119.2 | ||||
| 200 | P | 31.9 | Very low | 32.6 | Very low | 129 Ų | 129 | 152.5 Ų | 152.5 | 84% | 0.838 | 79% | 0.789 | S | S | * | * | trans | -88.7 | -177.4 | 172.1 | 38 | -36.9 | 0 | 0 | 0 | 114.7 | ||||
| 201 | L | 31 | Very low | 32.8 | Very low | 163 Ų | 163 | 150.2 Ų | 150.2 | 85% | 0.853 | 79% | 0.79 | S | S | * | * | trans | -77.3 | 158.8 | -169 | -75.7 | 156.1 | 0 | 0 | 0 | 115.9 | V203 | L201-V203 PolarHBondContact O-N 3.4Š| ||
| 202 | Y | 29.5 | Very low | 33.1 | Very low | 231 Ų | 231 | 148.6 Ų | 148.6 | 91% | 0.906 | 79% | 0.791 | S | S | * | * | trans | -49.4 | 114.4 | -178.7 | -72.6 | -97.6 | 0 | 0 | 0 | 115.2 | ||||
| 203 | V | 34.6 | Very low | 33 | Very low | 141 Ų | 141 | 149.6 Ų | 149.6 | 86% | 0.855 | 80% | 0.801 | S | S | * | * | trans | -121.3 | 132 | 153.6 | 178.4 | 0 | 0 | 0 | 0 | 107.5 | L201 G205 | L201-V203 PolarHBondContact O-N 3.4Å; V203-G205 PolarHBondContact O-N 2.85Å | ||
| 204 | T | 31.5 | Very low | 33.3 | Very low | 138 Ų | 138 | 149 Ų | 149 | 85% | 0.847 | 80% | 0.804 | S | S | * | * | trans | -86.7 | 110.8 | -174.1 | 52.3 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 205 | G | 29.5 | Very low | 33.3 | Very low | 62 Ų | 62 | 145.3 Ų | 145.3 | 64% | 0.639 | 79% | 0.79 | S | S | * | * | trans | -114.2 | 159.8 | 159.9 | 0 | 0 | 0 | 0 | 0 | 111.1 | V203 | V203-G205 PolarHBondContact O-N 2.85Š| ||
| 206 | P | 38.7 | Very low | 33.5 | Very low | 136 Ų | 136 | 145.3 Ų | 145.3 | 88% | 0.883 | 79% | 0.789 | S | S | * | * | trans | -84.1 | 149.1 | 171.1 | 34.4 | -32.8 | 0 | 0 | 0 | 111.8 | ||||
| 207 | E | 28.9 | Very low | 32.7 | Very low | 177 Ų | 177 | 145.6 Ų | 145.6 | 83% | 0.827 | 79% | 0.792 | S | S | * | * | trans | -102.1 | 154.4 | 175.3 | -59.3 | -172.1 | 134.5 | 0 | 0 | 111.8 | ||||
| 208 | D | 32.8 | Very low | 32.6 | Very low | 163 Ų | 163 | 142.5 Ų | 142.5 | 87% | 0.872 | 80% | 0.797 | S | S | * | * | trans | 171.9 | 104.9 | 135.6 | -93.8 | -19.1 | 0 | 0 | 0 | 113.1 | ||||
| 209 | P | 46.3 | Very low | 32.5 | Very low | 111 Ų | 111 | 142.2 Ų | 142.2 | 72% | 0.721 | 79% | 0.792 | S | S | * | * | trans | -129.3 | 159.8 | 155.7 | 39 | -28.1 | 0 | 0 | 0 | 112.2 | ||||
| 210 | P | 42.2 | Very low | 32.4 | Very low | 118 Ų | 118 | 143.4 Ų | 143.4 | 77% | 0.766 | 79% | 0.793 | S | S | * | * | -161.1 | -171 | 118.4 | 36.8 | -15 | 0 | 0 | 0 | 117.4 | |||||
| 211 | L | 31.9 | Very low | 32.2 | Very low | 160 Ų | 160 | 141.3 Ų | 141.3 | 84% | 0.838 | 78% | 0.781 | S | S | * | * | trans | 87.2 | 143.9 | 160.8 | -61.6 | 161.7 | 0 | 0 | 0 | 117.3 | ||||
| 212 | V | 37.8 | Very low | 32.2 | Very low | 132 Ų | 132 | 139 Ų | 139 | 80% | 0.8 | 78% | 0.779 | S | S | * | * | cis | -138.2 | 157.8 | 8 | -171.5 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 213 | N | 27.1 | Very low | 32.3 | Very low | 157 Ų | 157 | 135.8 Ų | 135.8 | 84% | 0.84 | 77% | 0.772 | S | S | * | * | trans | -84.2 | 153.1 | 173.2 | -67.1 | -44.3 | 0 | 0 | 0 | 115.4 | ||||
| 214 | K | 35.2 | Very low | 32.2 | Very low | 184 Ų | 184 | 138.6 Ų | 138.6 | 80% | 0.8 | 77% | 0.772 | S | S | * | * | trans | -167.4 | 157.6 | 148.3 | -96.1 | -163.7 | -178.9 | -99.6 | 0 | 109.9 | ||||
| 215 | E | 29.3 | Very low | 32.1 | Very low | 132 Ų | 132 | 138.6 Ų | 138.6 | 62% | 0.617 | 77% | 0.767 | S | S | * | * | cis | -170.4 | 141.9 | -34.3 | -122.4 | -175.7 | 147 | 0 | 0 | 108.6 | ||||
| 216 | I | 31.1 | Very low | 32.2 | Very low | 153 Ų | 153 | 141.4 Ų | 141.4 | 79% | 0.785 | 77% | 0.772 | S | S | * | * | trans | 69.9 | 141.7 | 152.9 | -62.3 | 164.6 | 0 | 0 | 0 | 119.1 | ||||
| 217 | S | 24.5 | Very low | 31.8 | Very low | 91 Ų | 91 | 143.7 Ų | 143.7 | 64% | 0.636 | 77% | 0.768 | S | S | * | * | trans | -107.9 | 163.1 | -177.9 | 54.1 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 218 | V | 29.1 | Very low | 31.8 | Very low | 151 Ų | 151 | 140.7 Ų | 140.7 | 92% | 0.915 | 76% | 0.762 | S | S | * | * | trans | -122.7 | 142.3 | 155.8 | 179.3 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 219 | Q | 29.1 | Very low | 31.7 | Very low | 147 Ų | 147 | 139.1 Ų | 139.1 | 69% | 0.687 | 76% | 0.758 | S | S | * | * | trans | -111.4 | 159.9 | -172.9 | -65.5 | -173.9 | -23 | 0 | 0 | 113.2 | ||||
| 220 | N | 27.8 | Very low | 30.9 | Very low | 136 Ų | 136 | 139.6 Ų | 139.6 | 73% | 0.727 | 76% | 0.758 | S | S | * | * | trans | 70.6 | 157.2 | 146 | -65.8 | -18 | 0 | 0 | 0 | 120 | ||||
| 221 | S | 28.1 | Very low | 30.2 | Very low | 85 Ų | 85 | 139.2 Ų | 139.2 | 59% | 0.594 | 76% | 0.757 | S | S | * | * | cis | -179.8 | 136.2 | -34.6 | 56.4 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 222 | S | 30.8 | Very low | 30.1 | Very low | 115 Ų | 115 | 136.3 Ų | 136.3 | 80% | 0.804 | 75% | 0.751 | S | S | * | * | trans | 173.7 | 132.3 | 139.5 | 36.9 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 223 | H | 31.7 | Very low | 29.8 | Very low | 162 Ų | 162 | 138.2 Ų | 138.2 | 75% | 0.75 | 75% | 0.75 | S | S | * | * | cis | 94.9 | 100.5 | 27.7 | -78.2 | -32.8 | 0 | 0 | 0 | 116.7 | ||||
| 224 | K | 32.7 | Very low | 30 | Very low | 200 Ų | 200 | 137.7 Ų | 137.7 | 87% | 0.87 | 75% | 0.747 | S | S | * | * | -171.6 | 125.8 | 126.4 | -93.2 | 148.7 | -175 | 178.1 | 0 | 106.8 | |||||
| 225 | N | 30.1 | Very low | 29.7 | Very low | 138 Ų | 138 | 136.7 Ų | 136.7 | 74% | 0.738 | 75% | 0.745 | S | S | * | * | 59.6 | 118 | 54.4 | -72.4 | 0.4 | 0 | 0 | 0 | 112.5 | |||||
| 226 | T | 31 | Very low | 30 | Very low | 122 Ų | 122 | 139.1 Ų | 139.1 | 75% | 0.748 | 76% | 0.756 | S | S | * | * | cis | -146.5 | -160.2 | -0.7 | 41.9 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 227 | K | 30.9 | Very low | 29.9 | Very low | 183 Ų | 183 | 138.9 Ų | 138.9 | 80% | 0.796 | 76% | 0.756 | S | S | * | * | cis | -167.7 | 156.5 | 21.5 | -160.3 | 174.1 | 176.1 | -175.9 | 0 | 114.8 | ||||
| 228 | V | 29 | Very low | 30.7 | Very low | 115 Ų | 115 | 141.4 Ų | 141.4 | 70% | 0.697 | 77% | 0.768 | S | S | * | * | trans | -15.7 | 135.3 | 153.2 | -156.3 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 229 | V | 29.7 | Very low | 31 | Very low | 129 Ų | 129 | 139.1 Ų | 139.1 | 78% | 0.782 | 76% | 0.759 | S | S | * | * | -155.5 | 131.9 | 62.7 | 172.9 | 0 | 0 | 0 | 0 | 114.5 | |||||
| 230 | V | 29.9 | Very low | 31 | Very low | 121 Ų | 121 | 138.6 Ų | 138.6 | 73% | 0.733 | 77% | 0.77 | S | S | * | * | trans | 27.6 | 133.7 | 142.3 | -173.9 | 0 | 0 | 0 | 0 | 123.5 | ||||
| 231 | C | 28.5 | Very low | 31.3 | Very low | 111 Ų | 111 | 135.6 Ų | 135.6 | 75% | 0.75 | 77% | 0.771 | S | S | * | * | trans | 86.8 | 116.3 | 152.7 | -86.8 | 0 | 0 | 0 | 0 | 123.9 | ||||
| 232 | S | 29.6 | Very low | 31.4 | Very low | 99 Ų | 99 | 140 Ų | 140 | 69% | 0.692 | 79% | 0.788 | S | S | * | * | trans | 63.9 | 126.5 | 131.8 | 66 | 0 | 0 | 0 | 0 | 123.3 | ||||
| 233 | H | 30.8 | Very low | 31.5 | Very low | 172 Ų | 172 | 142 Ų | 142 | 80% | 0.796 | 79% | 0.789 | S | S | * | * | trans | 63.6 | 101.6 | 156.2 | -66.9 | -67.7 | 0 | 0 | 0 | 120.7 | ||||
| 234 | L | 31.8 | Very low | 31.4 | Very low | 145 Ų | 145 | 141.1 Ų | 141.1 | 76% | 0.759 | 80% | 0.795 | S | S | * | * | 49 | 134.3 | 117.8 | -88.9 | 153.2 | 0 | 0 | 0 | 122 | |||||
| 235 | E | 28.4 | Very low | 31.2 | Very low | 163 Ų | 163 | 135.4 Ų | 135.4 | 76% | 0.762 | 79% | 0.792 | S | S | * | * | trans | 91.7 | 111.3 | 153.5 | -68.8 | 178.2 | -152.4 | 0 | 0 | 121.4 | ||||
| 236 | H | 34.6 | Very low | 31.3 | Very low | 183 Ų | 183 | 138.2 Ų | 138.2 | 85% | 0.847 | 80% | 0.801 | S | S | * | * | trans | 46.4 | 118.8 | 140.8 | -79.7 | -79.2 | 0 | 0 | 0 | 122.7 | ||||
| 237 | D | 30.4 | Very low | 31.4 | Very low | 148 Ų | 148 | 136.5 Ų | 136.5 | 79% | 0.791 | 79% | 0.794 | S | S | * | * | trans | -63.5 | 134.5 | 160.5 | -61.6 | -76.8 | 0 | 0 | 0 | 113.2 | ||||
| 238 | T | 40 | Very low | 31.5 | Very low | 145 Ų | 145 | 134.3 Ų | 134.3 | 89% | 0.89 | 79% | 0.791 | S | S | * | * | -168.7 | 160.8 | 95 | 20.5 | 0 | 0 | 0 | 0 | 113 | |||||
| 239 | S | 35.4 | Very low | 31.9 | Very low | 103 Ų | 103 | 135.3 Ų | 135.3 | 72% | 0.72 | 80% | 0.8 | S | S | * | * | trans | -83.6 | 139.4 | -155.2 | 56.7 | 0 | 0 | 0 | 0 | 117.8 | ||||
| 240 | C | 30.7 | Very low | 31.8 | Very low | 136 Ų | 136 | 134.7 Ų | 134.7 | 92% | 0.919 | 79% | 0.792 | S | S | * | * | trans | 44.2 | 120.4 | 136.2 | -60.1 | 0 | 0 | 0 | 0 | 121 | ||||
| 241 | G | 32.3 | Very low | 31.9 | Very low | 73 Ų | 73 | 136.1 Ų | 136.1 | 75% | 0.753 | 80% | 0.795 | S | S | * | * | trans | -166.2 | 85.4 | 166 | 0 | 0 | 0 | 0 | 0 | 116 | ||||
| 242 | N | 31.8 | Very low | 32.1 | Very low | 176 Ų | 176 | 137.9 Ų | 137.9 | 94% | 0.941 | 80% | 0.796 | S | S | * | * | trans | 66.3 | 168.3 | 168.4 | -65.6 | -26.3 | 0 | 0 | 0 | 118.6 | ||||
| 243 | L | 32 | Very low | 32 | Very low | 159 Ų | 159 | 140.1 Ų | 140.1 | 83% | 0.832 | 80% | 0.8 | S | S | * | * | trans | -119.4 | 160.5 | -162.9 | -84.8 | 161 | 0 | 0 | 0 | 113.2 | ||||
| 244 | T | 30.8 | Very low | 31.9 | Very low | 143 Ų | 143 | 137.4 Ų | 137.4 | 88% | 0.877 | 80% | 0.796 | S | S | * | * | trans | 58.8 | 104.2 | 162.6 | 48.9 | 0 | 0 | 0 | 0 | 117.4 | ||||
| 245 | G | 28.3 | Very low | 31.7 | Very low | 79 Ų | 79 | 139.9 Ų | 139.9 | 81% | 0.814 | 80% | 0.801 | S | S | * | * | trans | -160.1 | 40 | 178.7 | 0 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 246 | H | 32.4 | Very low | 31.7 | Very low | 197 Ų | 197 | 140.9 Ų | 140.9 | 91% | 0.912 | 80% | 0.803 | S | S | * | * | trans | -71.9 | 154.1 | 157.6 | -69.1 | -74.3 | 0 | 0 | 0 | 109 | ||||
| 247 | S | 32.9 | Very low | 31.4 | Very low | 86 Ų | 86 | 139.9 Ų | 139.9 | 60% | 0.601 | 80% | 0.802 | S | S | * | * | cis | -136.4 | -178.9 | 4.5 | 52.7 | 0 | 0 | 0 | 0 | 111.5 | D250 | S247-D250 PolarHBondContact OG-OD2 3.25Å; S247-D250 VanDerWaalsContact OG-OD2 3.05Å | ||
| 248 | N | 31.5 | Very low | 31.1 | Very low | 138 Ų | 138 | 135.8 Ų | 135.8 | 74% | 0.738 | 79% | 0.794 | S | S | * | * | trans | -56.8 | 157.9 | 162.8 | -78.7 | -37.3 | 0 | 0 | 0 | 110.7 | D250 | N248-D250 VanDerWaalsContact C-N 3.32Å; N248-D250 PolarHBondContact O-N 3.06Å | ||
| 249 | P | 38.4 | Very low | 30.4 | Very low | 136 Ų | 136 | 134.5 Ų | 134.5 | 88% | 0.883 | 79% | 0.79 | S | S | * | * | trans | -71 | 83.7 | -176.3 | 28.9 | -35.7 | 0 | 0 | 0 | 112.6 | ||||
| 250 | D | 27.3 | Very low | 30 | Very low | 115 Ų | 115 | 136.2 Ų | 136.2 | 62% | 0.615 | 79% | 0.791 | S | S | * | * | trans | -68.3 | 143.6 | 175 | -66.9 | -60.7 | 0 | 0 | 0 | 112.5 | S247 N248 | S247-D250 PolarHBondContact OG-OD2 3.25Å; S247-D250 VanDerWaalsContact OG-OD2 3.05Å; N248-D250 VanDerWaalsContact C-N 3.32Å; N248-D250 PolarHBondContact O-N 3.06Å | ||
| 251 | N | 31.6 | Very low | 30 | Very low | 151 Ų | 151 | 134.6 Ų | 134.6 | 81% | 0.807 | 78% | 0.777 | S | S | * | * | trans | -172.9 | 135.8 | 151.4 | -95.4 | -38 | 0 | 0 | 0 | 109.6 | ||||
| 252 | I | 33.9 | Very low | 30 | Very low | 149 Ų | 149 | 137.2 Ų | 137.2 | 76% | 0.764 | 77% | 0.773 | S | S | * | * | cis | -159.5 | 159 | -22.8 | -132.9 | 179.2 | 0 | 0 | 0 | 106 | ||||
| 253 | N | 26.3 | Very low | 29.7 | Very low | 145 Ų | 145 | 139.7 Ų | 139.7 | 78% | 0.775 | 77% | 0.771 | S | S | * | * | trans | -62.3 | 141.7 | 171.1 | -77.2 | -55.1 | 0 | 0 | 0 | 109.8 | ||||
| 254 | T | 28.7 | Very low | 29.3 | Very low | 116 Ų | 116 | 135.8 Ų | 135.8 | 71% | 0.712 | 75% | 0.751 | S | S | * | * | -171.8 | 177 | 57.2 | -39.3 | 0 | 0 | 0 | 0 | 109.6 | |||||
| 255 | F | 28.5 | Very low | 29.4 | Very low | 197 Ų | 197 | 132.4 Ų | 132.4 | 86% | 0.864 | 75% | 0.745 | S | S | * | * | trans | 87.1 | 100.5 | 171.2 | -77.3 | -85.7 | 0 | 0 | 0 | 119.3 | ||||
| 256 | K | 27.9 | Very low | 29.3 | Very low | 183 Ų | 183 | 139 Ų | 139 | 80% | 0.796 | 75% | 0.745 | S | S | * | * | trans | -29.6 | 145.3 | 152.8 | -90.3 | 178.1 | 170.8 | 180 | 0 | 118.4 | ||||
| 257 | I | 27.9 | Very low | 29.4 | Very low | 163 Ų | 163 | 135.1 Ų | 135.1 | 84% | 0.836 | 74% | 0.74 | S | S | * | * | trans | 80.1 | 124.8 | 142.5 | -63.6 | 160 | 0 | 0 | 0 | 118.5 | ||||
| 258 | G | 25.4 | Very low | 29.3 | Very low | 61 Ų | 61 | 135.3 Ų | 135.3 | 63% | 0.629 | 74% | 0.742 | S | S | * | * | trans | 99.6 | 77.7 | 160.2 | 0 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 259 | C | 24.7 | Very low | 29.4 | Very low | 118 Ų | 118 | 137.4 Ų | 137.4 | 80% | 0.797 | 74% | 0.744 | S | S | * | * | 72.6 | 93.9 | 76.6 | -58 | 0 | 0 | 0 | 0 | 116.1 | |||||
| 260 | D | 26.6 | Very low | 28.9 | Very low | 140 Ų | 140 | 137.3 Ų | 137.3 | 75% | 0.749 | 74% | 0.741 | S | S | * | * | trans | 57.9 | 178.5 | 144.2 | -61.8 | -19.8 | 0 | 0 | 0 | 122.4 | ||||
| 261 | V | 31.4 | Very low | 29.1 | Very low | 101 Ų | 101 | 137.3 Ų | 137.3 | 61% | 0.612 | 75% | 0.75 | S | S | * | * | trans | 100.2 | 117.7 | 175 | -174.9 | 0 | 0 | 0 | 0 | 112.4 | N264 | V261-N264 HydrophobicContact CG2-CB 3.81Š| ||
| 262 | N | 31.9 | Very low | 29.2 | Very low | 128 Ų | 128 | 135 Ų | 135 | 68% | 0.684 | 74% | 0.744 | S | S | * | * | S | Bend | cis | -118.3 | 159.4 | 11.8 | -85 | -63 | 0 | 0 | 0 | 113 | ||
| 263 | Y | 24.7 | Very low | 28.8 | Very low | 228 Ų | 228 | 136.6 Ų | 136.6 | 89% | 0.894 | 75% | 0.748 | S | S | * | * | S | Bend | cis | -98.6 | 108.9 | 4.2 | -101.8 | -90.5 | 0 | 0 | 0 | 112.6 | ||
| 264 | N | 23.8 | Very low | 28.8 | Very low | 78 Ų | 78 | 133.7 Ų | 133.7 | 42% | 0.417 | 74% | 0.744 | S | S | . | * | trans | -106.9 | 90.8 | 164.7 | -153.5 | -41.1 | 0 | 0 | 0 | 107.4 | V261 R266 | V261-N264 HydrophobicContact CG2-CB 3.81Å; N264-R266 PolarHBondContact O-N 2.81Å | ||
| 265 | G | 32.9 | Very low | 28.9 | Very low | 72 Ų | 72 | 134.2 Ų | 134.2 | 74% | 0.742 | 75% | 0.752 | S | S | * | * | trans | -84 | 3.6 | -164.3 | 0 | 0 | 0 | 0 | 0 | 117.1 | ||||
| 266 | R | 27 | Very low | 29 | Very low | 217 Ų | 217 | 129.8 Ų | 129.8 | 82% | 0.819 | 75% | 0.746 | S | S | * | * | trans | 32.4 | 94 | 169.5 | -73.1 | -175.2 | 167.6 | -173.6 | -1.8 | 118.7 | N264 | N264-R266 PolarHBondContact O-N 2.81Š| ||
| 267 | S | 34.9 | Very low | 29 | Very low | 115 Ų | 115 | 126.2 Ų | 126.2 | 80% | 0.804 | 74% | 0.743 | S | S | * | * | -179.4 | 151.5 | 128.5 | 35 | 0 | 0 | 0 | 0 | 110.5 | |||||
| 268 | S | 29.9 | Very low | 28.9 | Very low | 91 Ų | 91 | 126.3 Ų | 126.3 | 64% | 0.636 | 74% | 0.743 | S | S | * | * | cis | -166.1 | 165.7 | -34.8 | 43.1 | 0 | 0 | 0 | 0 | 108 | ||||
| 269 | F | 32.8 | Very low | 29.1 | Very low | 181 Ų | 181 | 127.6 Ų | 127.6 | 79% | 0.794 | 74% | 0.739 | S | S | * | * | trans | 67 | 111.9 | 170.6 | -62.8 | -76.6 | 0 | 0 | 0 | 119.8 | ||||
| 270 | T | 28.6 | Very low | 29.3 | Very low | 134 Ų | 134 | 129.6 Ų | 129.6 | 82% | 0.822 | 74% | 0.74 | S | S | * | * | trans | 25 | 100.5 | 131.3 | 56.7 | 0 | 0 | 0 | 0 | 120.4 | ||||
| 271 | S | 31 | Very low | 29.4 | Very low | 115 Ų | 115 | 129.9 Ų | 129.9 | 80% | 0.804 | 74% | 0.741 | S | S | * | * | trans | -172.7 | 145.7 | 132.3 | -170 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 272 | P | 34.1 | Very low | 29.4 | Very low | 103 Ų | 103 | 130.8 Ų | 130.8 | 67% | 0.669 | 75% | 0.752 | S | S | * | * | trans | -92.8 | 171.5 | 173.4 | 36 | -34.5 | 0 | 0 | 0 | 114.5 | ||||
| 273 | H | 26.4 | Very low | 29.5 | Very low | 183 Ų | 183 | 130.2 Ų | 130.2 | 85% | 0.847 | 76% | 0.755 | S | S | * | * | trans | 82.5 | 137.7 | 169.6 | -68.3 | -79.8 | 0 | 0 | 0 | 121 | ||||
| 274 | A | 26.8 | Very low | 29.6 | Very low | 83 Ų | 83 | 127.4 Ų | 127.4 | 69% | 0.686 | 75% | 0.75 | S | S | * | * | trans | 54.7 | 105.8 | 163.5 | 0 | 0 | 0 | 0 | 0 | 118 | ||||
| 275 | S | 29.5 | Very low | 29.6 | Very low | 127 Ų | 127 | 130.6 Ų | 130.6 | 89% | 0.888 | 77% | 0.768 | S | S | * | * | 66.2 | 89.4 | 67.3 | -55.2 | 0 | 0 | 0 | 0 | 114.3 | |||||
| 276 | S | 30.6 | Very low | 29.4 | Very low | 105 Ų | 105 | 132.9 Ų | 132.9 | 73% | 0.734 | 77% | 0.767 | S | S | * | * | trans | -176 | 166.4 | 159.1 | 50.8 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 277 | C | 28.3 | Very low | 29.4 | Very low | 108 Ų | 108 | 128.1 Ų | 128.1 | 73% | 0.73 | 76% | 0.762 | S | S | * | * | S | Bend | cis | -109.9 | 148.7 | -2 | -58.7 | 0 | 0 | 0 | 0 | 108.4 | T279 | C277-T279 WeakPolarHBondContact CB-OG1 3.29Š|
| 278 | I | 26.1 | Very low | 29.1 | Very low | 165 Ų | 165 | 128.5 Ų | 128.5 | 85% | 0.846 | 76% | 0.755 | S | S | * | * | S | Bend | cis | -113.7 | 122.7 | 35.3 | -68.7 | 164.8 | 0 | 0 | 0 | 108.3 | ||
| 279 | T | 28.9 | Very low | 29.2 | Very low | 87 Ų | 87 | 132.4 Ų | 132.4 | 53% | 0.534 | 76% | 0.761 | S | S | . | * | 65.4 | 87.9 | 51.8 | -41.9 | 0 | 0 | 0 | 0 | 111 | C277 | C277-T279 WeakPolarHBondContact CB-OG1 3.29Š| |||
| 280 | I | 29 | Very low | 28.9 | Very low | 160 Ų | 160 | 132 Ų | 132 | 82% | 0.821 | 76% | 0.759 | S | S | * | * | -147 | 153.3 | 72.7 | -76 | 165.8 | 0 | 0 | 0 | 111.4 | |||||
| 281 | N | 29.4 | Very low | 28.9 | Very low | 147 Ų | 147 | 132.8 Ų | 132.8 | 79% | 0.786 | 75% | 0.753 | S | S | * | * | trans | -57 | 150.1 | -175.4 | -51.1 | -24.4 | 0 | 0 | 0 | 116.5 | ||||
| 282 | S | 31 | Very low | 28.8 | Very low | 119 Ų | 119 | 132.3 Ų | 132.3 | 83% | 0.832 | 75% | 0.749 | S | S | * | * | trans | -111.6 | 149.3 | 134.5 | -62.9 | 0 | 0 | 0 | 0 | 106.9 | ||||
| 283 | P | 34 | Very low | 28.4 | Very low | 116 Ų | 116 | 132.5 Ų | 132.5 | 75% | 0.753 | 76% | 0.76 | S | S | * | * | -151.7 | 168 | 79.8 | 39.7 | -20.4 | 0 | 0 | 0 | 117.4 | |||||
| 284 | Q | 26.2 | Very low | 28.5 | Very low | 169 Ų | 169 | 133.5 Ų | 133.5 | 79% | 0.79 | 76% | 0.761 | S | S | * | * | trans | 16.3 | 112.3 | 152.3 | -59.8 | -179.7 | -10 | 0 | 0 | 119.9 | ||||
| 285 | N | 24.8 | Very low | 28.6 | Very low | 146 Ų | 146 | 138 Ų | 138 | 78% | 0.781 | 77% | 0.773 | S | S | * | * | 172.3 | 172.9 | 99.7 | -94.1 | -59.6 | 0 | 0 | 0 | 113.4 | |||||
| 286 | V | 27.6 | Very low | 28.3 | Very low | 120 Ų | 120 | 137.2 Ų | 137.2 | 73% | 0.727 | 77% | 0.766 | S | S | * | * | trans | 76.2 | 79.7 | 160.7 | -155.5 | 0 | 0 | 0 | 0 | 119.4 | ||||
| 287 | T | 27.2 | Very low | 28.3 | Very low | 117 Ų | 117 | 141 Ų | 141 | 72% | 0.718 | 77% | 0.77 | S | S | * | * | trans | 74.4 | 147.1 | 137.3 | 74 | 0 | 0 | 0 | 0 | 124 | ||||
| 288 | N | 28.6 | Very low | 28.3 | Very low | 122 Ų | 122 | 141.9 Ų | 141.9 | 65% | 0.652 | 77% | 0.772 | S | S | * | * | trans | 78.7 | 114.1 | 138.5 | -83.6 | -46.2 | 0 | 0 | 0 | 122.2 | ||||
| 289 | K | 31.5 | Very low | 28.2 | Very low | 174 Ų | 174 | 140.7 Ų | 140.7 | 76% | 0.757 | 77% | 0.767 | S | S | * | * | trans | 73.2 | 125.3 | 136.6 | -65.8 | 176.7 | -177.8 | -178.2 | 0 | 117.3 | ||||
| 290 | F | 26.6 | Very low | 28.1 | Very low | 172 Ų | 172 | 145.3 Ų | 145.3 | 75% | 0.754 | 78% | 0.78 | S | S | * | * | cis | 105.1 | 127.5 | 40.4 | -103.9 | -68 | 0 | 0 | 0 | 111.2 | ||||
| 291 | H | 30.2 | Very low | 28.1 | Very low | 151 Ų | 151 | 145.9 Ų | 145.9 | 70% | 0.699 | 78% | 0.777 | S | S | * | * | trans | 56.9 | 110.5 | 166.9 | -67.8 | -45.7 | 0 | 0 | 0 | 118.8 | ||||
| 292 | S | 27.8 | Very low | 27.8 | Very low | 105 Ų | 105 | 144.3 Ų | 144.3 | 73% | 0.734 | 77% | 0.772 | S | S | * | * | 72.4 | 98.2 | 68.2 | -57.3 | 0 | 0 | 0 | 0 | 111.9 | |||||
| 293 | A | 27 | Very low | 27.6 | Very low | 107 Ų | 107 | 147.9 Ų | 147.9 | 88% | 0.884 | 77% | 0.773 | S | S | * | * | P | Polyproline II helix | trans | -70.4 | 135.9 | 173.2 | 0 | 0 | 0 | 0 | 0 | 111.4 | ||
| 294 | K | 27.4 | Very low | 27.1 | Very low | 203 Ų | 203 | 149.1 Ų | 149.1 | 88% | 0.883 | 77% | 0.774 | S | S | * | * | P | Polyproline II helix | trans | -82.1 | 126 | 161.5 | -80.5 | -174 | 174.3 | -178.2 | 0 | 109.4 | ||
| 295 | L | 27.9 | Very low | 27.1 | Very low | 178 Ų | 178 | 149.2 Ų | 149.2 | 93% | 0.932 | 78% | 0.779 | S | S | * | * | P | Polyproline II helix | trans | -80.2 | 161 | 145 | -134.8 | 74.5 | 0 | 0 | 0 | 108.8 | ||
| 296 | C | 23.7 | Very low | 27 | Very low | 110 Ų | 110 | 151.4 Ų | 151.4 | 74% | 0.743 | 78% | 0.782 | S | S | * | * | trans | -144.5 | 165.1 | -167.1 | -171.8 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 297 | K | 30.3 | Very low | 27.6 | Very low | 186 Ų | 186 | 151.1 Ų | 151.1 | 81% | 0.809 | 78% | 0.782 | S | S | * | * | trans | 80.8 | 141.2 | -179.4 | -52.6 | 178.1 | -178.9 | 179.4 | 0 | 113.8 | ||||
| 298 | T | 29.8 | Very low | 27.5 | Very low | 126 Ų | 126 | 149.1 Ų | 149.1 | 77% | 0.773 | 79% | 0.785 | S | S | * | * | cis | -154.9 | 162.7 | -3.4 | 2.8 | 0 | 0 | 0 | 0 | 111 | ||||
| 299 | D | 23.4 | Very low | 27.5 | Very low | 140 Ų | 140 | 151.9 Ų | 151.9 | 75% | 0.749 | 80% | 0.798 | S | S | * | * | trans | -68.3 | 151.9 | 179.6 | -44 | -99.4 | 0 | 0 | 0 | 114.5 | ||||
| 300 | F | 27.6 | Very low | 27.4 | Very low | 183 Ų | 183 | 147.9 Ų | 147.9 | 80% | 0.803 | 79% | 0.791 | S | S | * | * | -178.8 | 131.1 | 119 | -104.2 | -66.2 | 0 | 0 | 0 | 114.6 | |||||
| 301 | K | 27.8 | Very low | 27.5 | Very low | 172 Ų | 172 | 146 Ų | 146 | 75% | 0.748 | 79% | 0.789 | S | S | * | * | trans | 49.7 | 107.5 | 151.1 | -78.5 | 163.2 | -177.5 | 176.1 | 0 | 122.1 | ||||
| 302 | T | 23.5 | Very low | 27.7 | Very low | 114 Ų | 114 | 144.7 Ų | 144.7 | 70% | 0.699 | 80% | 0.797 | S | S | * | * | 37.2 | 121.5 | 108.7 | -45.3 | 0 | 0 | 0 | 0 | 120.6 | |||||
| 303 | F | 25.8 | Very low | 27.8 | Very low | 195 Ų | 195 | 146.9 Ų | 146.9 | 86% | 0.855 | 80% | 0.801 | S | S | * | * | -170.2 | 175.1 | 116.4 | -106.1 | -67.1 | 0 | 0 | 0 | 112.8 | |||||
| 304 | N | 25.3 | Very low | 28 | Very low | 141 Ų | 141 | 150 Ų | 150 | 75% | 0.754 | 80% | 0.801 | S | S | * | * | trans | -106.6 | 176.2 | -170.2 | -63.8 | -32.2 | 0 | 0 | 0 | 113.7 | ||||
| 305 | L | 24.5 | Very low | 28.5 | Very low | 171 Ų | 171 | 145.6 Ų | 145.6 | 90% | 0.895 | 79% | 0.793 | S | S | * | * | trans | 104 | 137.3 | 148.6 | -69 | 156 | 0 | 0 | 0 | 120.7 | ||||
| 306 | F | 23.9 | Very low | 28.7 | Very low | 193 Ų | 193 | 142.7 Ų | 142.7 | 85% | 0.846 | 79% | 0.787 | S | S | * | * | trans | -72.6 | 176.2 | 158.2 | -81.9 | -110.2 | 0 | 0 | 0 | 110.8 | ||||
| 307 | P | 40.7 | Very low | 28.9 | Very low | 113 Ų | 113 | 145.9 Ų | 145.9 | 73% | 0.734 | 79% | 0.791 | S | S | * | * | cis | -141.1 | 179 | -45 | 40.5 | -24.1 | 0 | 0 | 0 | 113.8 | ||||
| 308 | G | 24.3 | Very low | 28.9 | Very low | 75 Ų | 75 | 144.4 Ų | 144.4 | 77% | 0.773 | 79% | 0.791 | S | S | * | * | trans | 76.2 | 124.6 | 140.9 | 0 | 0 | 0 | 0 | 0 | 120.6 | ||||
| 309 | I | 28.6 | Very low | 28.8 | Very low | 181 Ų | 181 | 144.8 Ų | 144.8 | 93% | 0.928 | 79% | 0.788 | S | S | * | * | trans | -141.8 | 152 | 165.2 | -62.4 | -178.5 | 0 | 0 | 0 | 108.2 | ||||
| 310 | S | 29.1 | Very low | 29.1 | Very low | 89 Ų | 89 | 144.7 Ų | 144.7 | 62% | 0.622 | 79% | 0.787 | S | S | * | * | trans | -127.3 | 170.2 | -174.6 | 60.8 | 0 | 0 | 0 | 0 | 115 | ||||
| 311 | D | 29.4 | Very low | 29.3 | Very low | 133 Ų | 133 | 146.1 Ų | 146.1 | 71% | 0.711 | 79% | 0.787 | S | S | * | * | trans | 75.5 | 120 | 153.2 | -53.9 | -50.7 | 0 | 0 | 0 | 122.7 | ||||
| 312 | S | 33.6 | Very low | 29.6 | Very low | 123 Ų | 123 | 145.2 Ų | 145.2 | 86% | 0.86 | 79% | 0.79 | S | S | * | * | -172.6 | 162.6 | 111 | 31.7 | 0 | 0 | 0 | 0 | 112.4 | |||||
| 313 | N | 29.7 | Very low | 29.9 | Very low | 152 Ų | 152 | 143.8 Ų | 143.8 | 81% | 0.813 | 80% | 0.798 | S | S | * | * | trans | -124.9 | 164.8 | -164.3 | -68 | -73.7 | 0 | 0 | 0 | 114 | ||||
| 314 | I | 31.3 | Very low | 30 | Very low | 172 Ų | 172 | 138 Ų | 138 | 88% | 0.882 | 79% | 0.794 | S | S | * | * | trans | -170.8 | 151.9 | 140.1 | -101.4 | 153.1 | 0 | 0 | 0 | 112 | ||||
| 315 | P | 38.4 | Very low | 30.1 | Very low | 111 Ų | 111 | 139.5 Ų | 139.5 | 72% | 0.721 | 80% | 0.801 | S | S | * | * | trans | -138.2 | -160.1 | -148.4 | 44.3 | -25.3 | 0 | 0 | 0 | 118.1 | ||||
| 316 | S | 31.5 | Very low | 30.1 | Very low | 117 Ų | 117 | 136.9 Ų | 136.9 | 82% | 0.818 | 80% | 0.797 | S | S | * | * | trans | 87.9 | 147.4 | 173.1 | 74.8 | 0 | 0 | 0 | 0 | 117 | ||||
| 317 | E | 28.8 | Very low | 30.4 | Very low | 176 Ų | 176 | 134.2 Ų | 134.2 | 82% | 0.822 | 80% | 0.796 | S | S | * | * | cis | -151.5 | 148.2 | 8.4 | -160.7 | 164.6 | -129.2 | 0 | 0 | 109.8 | ||||
| 318 | I | 30.7 | Very low | 30 | Very low | 155 Ų | 155 | 134 Ų | 134 | 80% | 0.795 | 80% | 0.795 | S | S | * | * | 179.4 | 131.1 | 102.2 | -85.5 | 169 | 0 | 0 | 0 | 112 | |||||
| 319 | D | 27.9 | Very low | 30.1 | Very low | 135 Ų | 135 | 135.9 Ų | 135.9 | 72% | 0.722 | 80% | 0.796 | S | S | * | * | trans | 32.6 | 131.9 | 154.3 | -88.1 | -16.7 | 0 | 0 | 0 | 128.5 | ||||
| 320 | L | 29.7 | Very low | 30.2 | Very low | 138 Ų | 138 | 133.8 Ų | 133.8 | 72% | 0.723 | 79% | 0.792 | S | S | * | * | trans | 52.7 | 120.4 | 130.9 | -65.5 | 168.8 | 0 | 0 | 0 | 120.5 | ||||
| 321 | R | 31.4 | Very low | 30.7 | Very low | 213 Ų | 213 | 134.2 Ų | 134.2 | 80% | 0.804 | 79% | 0.792 | S | S | * | * | cis | -157.2 | 150.6 | 32.2 | -102.7 | 173.1 | 178.9 | -169.9 | -1 | 112.2 | ||||
| 322 | N | 33.6 | Very low | 30.7 | Very low | 153 Ų | 153 | 135.4 Ų | 135.4 | 82% | 0.818 | 80% | 0.797 | S | S | * | * | trans | 35.9 | 115.7 | 155.3 | -51.9 | 6.2 | 0 | 0 | 0 | 118 | ||||
| 323 | G | 29.6 | Very low | 30.4 | Very low | 83 Ų | 83 | 133.6 Ų | 133.6 | 86% | 0.856 | 78% | 0.784 | S | S | * | * | cis | 88.5 | 134.1 | 23 | 0 | 0 | 0 | 0 | 0 | 112 | ||||
| 324 | G | 28.9 | Very low | 30.5 | Very low | 75 Ų | 75 | 133.9 Ų | 133.9 | 77% | 0.773 | 78% | 0.78 | S | S | * | * | cis | 175.2 | 124.1 | -4.2 | 0 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 325 | L | 25.8 | Very low | 30.4 | Very low | 172 Ų | 172 | 134 Ų | 134 | 90% | 0.901 | 78% | 0.775 | S | S | * | * | trans | 20.4 | 152.4 | 148.7 | -66.8 | 164.6 | 0 | 0 | 0 | 123.5 | ||||
| 326 | S | 25 | Very low | 30 | Very low | 115 Ų | 115 | 135.5 Ų | 135.5 | 80% | 0.804 | 78% | 0.776 | S | S | * | * | trans | 105 | 116.7 | 149.6 | -37.2 | 0 | 0 | 0 | 0 | 119.2 | ||||
| 327 | V | 30.2 | Very low | 29.7 | Very low | 138 Ų | 138 | 135.2 Ų | 135.2 | 84% | 0.836 | 77% | 0.774 | S | S | * | * | trans | -67.3 | 171 | 155.1 | -108.8 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 328 | P | 33.3 | Very low | 29.8 | Very low | 109 Ų | 109 | 132.3 Ų | 132.3 | 71% | 0.708 | 77% | 0.773 | S | S | * | * | cis | -150.1 | -177.4 | 38.2 | 44.6 | -23.6 | 0 | 0 | 0 | 119.2 | ||||
| 329 | S | 25.9 | Very low | 29.8 | Very low | 114 Ų | 114 | 130.6 Ų | 130.6 | 80% | 0.797 | 77% | 0.77 | S | S | * | * | trans | 65 | 132.5 | 152.5 | -59.4 | 0 | 0 | 0 | 0 | 121.4 | ||||
| 330 | T | 30.7 | Very low | 29.8 | Very low | 137 Ų | 137 | 131 Ų | 131 | 84% | 0.84 | 77% | 0.77 | S | S | * | * | trans | -124.1 | -173.7 | 171.5 | 61.4 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 331 | P | 39.3 | Very low | 29.7 | Very low | 98 Ų | 98 | 132.2 Ų | 132.2 | 64% | 0.636 | 78% | 0.777 | S | S | * | * | cis | -142.8 | -175.3 | 4.3 | 42.5 | -22.8 | 0 | 0 | 0 | 117.5 | ||||
| 332 | I | 29.6 | Very low | 29.6 | Very low | 158 Ų | 158 | 127 Ų | 127 | 81% | 0.81 | 77% | 0.768 | S | S | * | * | trans | 72.4 | 136.5 | 149.8 | -80.9 | 161.4 | 0 | 0 | 0 | 118.1 | ||||
| 333 | S | 26.9 | Very low | 29.5 | Very low | 84 Ų | 84 | 126 Ų | 126 | 59% | 0.587 | 77% | 0.771 | S | S | * | * | cis | -168.1 | 168 | -11.4 | 62.6 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 334 | H | 31.7 | Very low | 29.6 | Very low | 159 Ų | 159 | 127.8 Ų | 127.8 | 74% | 0.736 | 77% | 0.77 | S | S | * | * | trans | 157.3 | 114.6 | 142.5 | -86.5 | -66.6 | 0 | 0 | 0 | 110 | ||||
| 335 | K | 29.3 | Very low | 29.5 | Very low | 174 Ų | 174 | 131.9 Ų | 131.9 | 76% | 0.757 | 77% | 0.774 | S | S | * | * | 64.7 | 133.6 | 91.5 | -76.9 | -165.7 | 174.7 | -178.3 | 0 | 114.4 | |||||
| 336 | L | 29.9 | Very low | 30 | Very low | 143 Ų | 143 | 128.6 Ų | 128.6 | 75% | 0.749 | 76% | 0.763 | S | S | * | * | cis | -155 | 141.9 | 0.4 | -88.6 | 150.2 | 0 | 0 | 0 | 106.4 | ||||
| 337 | S | 26.5 | Very low | 30.2 | Very low | 111 Ų | 111 | 131.5 Ų | 131.5 | 78% | 0.776 | 76% | 0.762 | S | S | * | * | 82.6 | 116.4 | 62 | -54.8 | 0 | 0 | 0 | 0 | 117.3 | |||||
| 338 | S | 30.6 | Very low | 30.1 | Very low | 115 Ų | 115 | 134 Ų | 134 | 80% | 0.804 | 76% | 0.761 | S | S | * | * | trans | -170.1 | 142.7 | 161.9 | 62.4 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 339 | T | 29.9 | Very low | 30 | Very low | 119 Ų | 119 | 133.7 Ų | 133.7 | 73% | 0.73 | 77% | 0.768 | S | S | * | * | cis | -153.1 | 118.2 | 14.3 | -55.6 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 340 | I | 28.2 | Very low | 30.2 | Very low | 143 Ų | 143 | 131.6 Ų | 131.6 | 73% | 0.733 | 76% | 0.764 | S | S | * | * | 49.7 | 112.3 | 100.7 | -51.1 | 171.2 | 0 | 0 | 0 | 117 | T342 | I340-T342 HydrophobicContact CG2-CG2 4.28Š| |||
| 341 | L | 28 | Very low | 30.2 | Very low | 163 Ų | 163 | 135 Ų | 135 | 85% | 0.853 | 76% | 0.762 | S | S | * | * | trans | -145 | 94.4 | 141.1 | -86.6 | 174.6 | 0 | 0 | 0 | 106.7 | ||||
| 342 | T | 29.1 | Very low | 29.9 | Very low | 103 Ų | 103 | 139.2 Ų | 139.2 | 63% | 0.632 | 77% | 0.766 | S | S | * | * | 65.2 | 117 | 96.3 | 59.1 | 0 | 0 | 0 | 0 | 115.9 | I340 | I340-T342 HydrophobicContact CG2-CG2 4.28Š| |||
| 343 | P | 31.8 | Very low | 29.7 | Very low | 134 Ų | 134 | 138.4 Ų | 138.4 | 87% | 0.87 | 77% | 0.769 | S | S | * | * | trans | -87.8 | 163.2 | 172.2 | 37 | -35.2 | 0 | 0 | 0 | 112.9 | ||||
| 344 | S | 31.8 | Very low | 29.7 | Very low | 120 Ų | 120 | 141.9 Ų | 141.9 | 84% | 0.839 | 78% | 0.78 | S | S | * | * | trans | -137.4 | 121.1 | 170.7 | 48.8 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 345 | N | 25.7 | Very low | 30.2 | Very low | 160 Ų | 160 | 139.8 Ų | 139.8 | 86% | 0.856 | 78% | 0.78 | S | S | * | * | trans | -76.4 | 156.3 | 154.7 | -99.3 | -37.5 | 0 | 0 | 0 | 108 | ||||
| 346 | P | 35.6 | Very low | 30.4 | Very low | 103 Ų | 103 | 138.7 Ų | 138.7 | 67% | 0.669 | 78% | 0.783 | S | S | * | * | -151.1 | -172.8 | 56.3 | 31.4 | -5.5 | 0 | 0 | 0 | 117.7 | |||||
| 347 | F | 30.4 | Very low | 30.3 | Very low | 177 Ų | 177 | 140.8 Ų | 140.8 | 78% | 0.776 | 79% | 0.789 | S | S | * | * | trans | 81 | 107.5 | 167.8 | -71.2 | -82.6 | 0 | 0 | 0 | 120.3 | ||||
| 348 | K | 28.3 | Very low | 30.5 | Very low | 190 Ų | 190 | 138.9 Ų | 138.9 | 83% | 0.826 | 79% | 0.786 | S | S | * | * | 31.2 | 131 | 122.8 | -68.2 | -177.2 | -179.4 | 179.3 | 0 | 117.9 | |||||
| 349 | A | 30.7 | Very low | 30.5 | Very low | 102 Ų | 102 | 141.4 Ų | 141.4 | 84% | 0.843 | 79% | 0.789 | S | S | * | * | cis | -171.8 | 161.8 | 10.9 | 0 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 350 | G | 30.9 | Very low | 30.5 | Very low | 70 Ų | 70 | 141.2 Ų | 141.2 | 72% | 0.722 | 79% | 0.793 | S | S | * | * | trans | 117.2 | 118.8 | 140 | 0 | 0 | 0 | 0 | 0 | 118.8 | ||||
| 351 | R | 30.9 | Very low | 30.5 | Very low | 209 Ų | 209 | 141.8 Ų | 141.8 | 79% | 0.789 | 80% | 0.796 | S | S | * | * | trans | 64.9 | 135.5 | 148.8 | -62.9 | 179 | 168.7 | -177.9 | -2 | 118.1 | ||||
| 352 | Y | 31.3 | Very low | 30.6 | Very low | 187 Ų | 187 | 139.3 Ų | 139.3 | 73% | 0.733 | 79% | 0.793 | S | S | * | * | cis | -153.6 | 143.9 | -9.4 | -86.8 | -59.5 | 0 | 0 | 0 | 108.7 | ||||
| 353 | T | 25.2 | Very low | 31.2 | Very low | 140 Ų | 140 | 140.6 Ų | 140.6 | 86% | 0.859 | 80% | 0.803 | S | S | * | * | trans | -157.2 | 172.2 | 164.2 | 27.9 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 354 | L | 28.8 | Very low | 30.9 | Very low | 158 Ų | 158 | 138.2 Ų | 138.2 | 83% | 0.827 | 80% | 0.803 | S | S | * | * | trans | 76.7 | 155.1 | -168.8 | -60.9 | 174.8 | 0 | 0 | 0 | 114.2 | ||||
| 355 | P | 41.4 | Very low | 30.7 | Very low | 115 Ų | 115 | 136.1 Ų | 136.1 | 75% | 0.747 | 80% | 0.8 | S | S | * | * | cis | -98.7 | 178.7 | 5.3 | 42 | -35.7 | 0 | 0 | 0 | 113.3 | ||||
| 356 | N | 33.1 | Very low | 30.8 | Very low | 151 Ų | 151 | 140.1 Ų | 140.1 | 81% | 0.807 | 80% | 0.803 | S | S | * | * | cis | -152 | 155.8 | 18.4 | -143.7 | 7.9 | 0 | 0 | 0 | 112.6 | ||||
| 357 | E | 27.1 | Very low | 30.3 | Very low | 187 Ų | 187 | 146.4 Ų | 146.4 | 87% | 0.874 | 81% | 0.813 | S | S | * | * | trans | -110.3 | 161.6 | 167.3 | -80.8 | -161.2 | 138.4 | 0 | 0 | 111.7 | ||||
| 358 | G | 31.6 | Very low | 30.3 | Very low | 70 Ų | 70 | 142.8 Ų | 142.8 | 72% | 0.722 | 82% | 0.816 | S | S | * | * | trans | 179.1 | 81 | 174.8 | 0 | 0 | 0 | 0 | 0 | 116.8 | ||||
| 359 | I | 30.9 | Very low | 30.4 | Very low | 168 Ų | 168 | 137.4 Ų | 137.4 | 86% | 0.862 | 81% | 0.814 | S | S | * | * | 30.1 | 125.8 | 122.5 | -59.9 | 164.1 | 0 | 0 | 0 | 116 | |||||
| 360 | S | 28.6 | Very low | 30.4 | Very low | 116 Ų | 116 | 138.8 Ų | 138.8 | 81% | 0.811 | 81% | 0.807 | S | S | * | * | cis | -158.2 | -168.5 | 26.9 | -151 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 361 | L | 29.8 | Very low | 30.4 | Very low | 154 Ų | 154 | 143.1 Ų | 143.1 | 81% | 0.806 | 81% | 0.809 | S | S | * | * | trans | -94.5 | 155.8 | -167.4 | -69.1 | 151.8 | 0 | 0 | 0 | 117.2 | ||||
| 362 | S | 30.6 | Very low | 30.6 | Very low | 112 Ų | 112 | 138.7 Ų | 138.7 | 78% | 0.783 | 81% | 0.81 | S | S | * | * | trans | 80.2 | 157.7 | 140.6 | -70.2 | 0 | 0 | 0 | 0 | 122.9 | ||||
| 363 | P | 39.9 | Very low | 30.6 | Very low | 130 Ų | 130 | 134.6 Ų | 134.6 | 84% | 0.844 | 81% | 0.809 | S | S | * | * | trans | -130.4 | 163.4 | -160.4 | 41.1 | -23.9 | 0 | 0 | 0 | 118.1 | ||||
| 364 | G | 27.1 | Very low | 31.1 | Very low | 84 Ų | 84 | 138.5 Ų | 138.5 | 87% | 0.866 | 81% | 0.808 | S | S | * | * | trans | 128.6 | 143 | 144.6 | 0 | 0 | 0 | 0 | 0 | 119.4 | ||||
| 365 | G | 26.7 | Very low | 31.3 | Very low | 75 Ų | 75 | 136.7 Ų | 136.7 | 77% | 0.773 | 80% | 0.799 | S | S | * | * | trans | 115.9 | 80.9 | 141.3 | 0 | 0 | 0 | 0 | 0 | 122.8 | ||||
| 366 | R | 27 | Very low | 30.9 | Very low | 245 Ų | 245 | 139.4 Ų | 139.4 | 93% | 0.925 | 79% | 0.794 | S | S | * | * | trans | 58.7 | 146.6 | 137 | -62.1 | -177.2 | 174.4 | -171.1 | -1.9 | 123.8 | ||||
| 367 | R | 26.9 | Very low | 30.9 | Very low | 235 Ų | 235 | 138.1 Ų | 138.1 | 89% | 0.887 | 78% | 0.783 | S | S | * | * | trans | 102.3 | 106.3 | 143.4 | -87.7 | -179.3 | 172.4 | 176.5 | -2.7 | 122.8 | ||||
| 368 | A | 30.5 | Very low | 31.4 | Very low | 100 Ų | 100 | 135.7 Ų | 135.7 | 83% | 0.826 | 77% | 0.772 | S | S | * | * | 80.3 | 116.8 | 115 | 0 | 0 | 0 | 0 | 0 | 124.6 | |||||
| 369 | G | 29.5 | Very low | 31.5 | Very low | 77 Ų | 77 | 139.8 Ų | 139.8 | 79% | 0.794 | 77% | 0.772 | S | S | * | * | trans | 89.4 | 161.2 | 138.8 | 0 | 0 | 0 | 0 | 0 | 119.7 | ||||
| 370 | N | 31.6 | Very low | 31.8 | Very low | 131 Ų | 131 | 137.6 Ų | 137.6 | 70% | 0.701 | 77% | 0.766 | S | S | * | * | cis | -167.3 | 157.4 | -21.9 | -146 | -3.9 | 0 | 0 | 0 | 113.3 | ||||
| 371 | H | 30.9 | Very low | 31.9 | Very low | 162 Ų | 162 | 142.5 Ų | 142.5 | 75% | 0.75 | 77% | 0.767 | S | S | * | * | trans | 58 | 135.5 | 164.6 | -56.1 | -49.6 | 0 | 0 | 0 | 120.6 | ||||
| 372 | S | 33.3 | Very low | 32 | Very low | 115 Ų | 115 | 143.5 Ų | 143.5 | 80% | 0.804 | 77% | 0.768 | S | S | * | * | 174 | 175.6 | 67 | 52.8 | 0 | 0 | 0 | 0 | 109.8 | |||||
| 373 | S | 33.3 | Very low | 31.9 | Very low | 102 Ų | 102 | 143 Ų | 143 | 71% | 0.713 | 77% | 0.77 | S | S | * | * | cis | -170.6 | 169.7 | -36.8 | 62 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 374 | R | 33.9 | Very low | 31.4 | Very low | 222 Ų | 222 | 140 Ų | 140 | 84% | 0.838 | 76% | 0.763 | S | S | * | * | trans | 75.5 | 158.3 | 175 | -61.3 | -172 | 167.6 | 157.5 | -1.3 | 117.1 | ||||
| 375 | D | 33.9 | Very low | 31.7 | Very low | 119 Ų | 119 | 143 Ų | 143 | 64% | 0.636 | 77% | 0.765 | S | S | * | * | cis | -173.5 | 164.5 | -20.1 | -90.1 | -18.8 | 0 | 0 | 0 | 106.4 | ||||
| 376 | R | 33.5 | Very low | 31.9 | Very low | 173 Ų | 173 | 144.8 Ų | 144.8 | 65% | 0.653 | 76% | 0.763 | S | S | * | * | cis | -168.1 | 151.5 | -17.6 | -104.2 | 167.3 | 68 | 148.6 | 7.8 | 110.2 | ||||
| 377 | E | 33.6 | Very low | 32.1 | Very low | 124 Ų | 124 | 139.1 Ų | 139.1 | 58% | 0.579 | 76% | 0.758 | S | S | * | * | trans | 63.2 | 154.4 | 148.9 | -67.5 | 162.7 | 161.2 | 0 | 0 | 120 | ||||
| 378 | H | 35.6 | Very low | 32.5 | Very low | 136 Ų | 136 | 133.3 Ų | 133.3 | 63% | 0.63 | 75% | 0.75 | S | S | * | * | cis | -154.6 | 146.4 | 3.8 | -120.2 | -4.6 | 0 | 0 | 0 | 113.1 | ||||
| 379 | Q | 35.4 | Very low | 32.5 | Very low | 155 Ų | 155 | 138.1 Ų | 138.1 | 72% | 0.724 | 75% | 0.753 | S | S | * | * | trans | 31.1 | 144.3 | 137.7 | -59.8 | 177.6 | 6.8 | 0 | 0 | 122.4 | ||||
| 380 | T | 35.6 | Very low | 32.5 | Very low | 122 Ų | 122 | 143.5 Ų | 143.5 | 75% | 0.748 | 76% | 0.757 | S | S | * | * | cis | -160 | -153.8 | -10.7 | 34.2 | 0 | 0 | 0 | 0 | 107.3 | ||||
| 381 | R | 31 | Very low | 32.3 | Very low | 220 Ų | 220 | 148.9 Ų | 148.9 | 83% | 0.83 | 77% | 0.767 | S | S | * | * | cis | -156.8 | -115.4 | 9.3 | -156.8 | 176.8 | 175.9 | 158.8 | -0.5 | 114.9 | ||||
| 382 | Q | 32.4 | Very low | 32.2 | Very low | 174 Ų | 174 | 148.4 Ų | 148.4 | 81% | 0.813 | 77% | 0.769 | S | S | * | * | trans | -157.3 | 163.8 | -165.7 | -79.4 | 169.6 | -25.9 | 0 | 0 | 108.7 | ||||
| 383 | A | 29.5 | Very low | 32 | Very low | 102 Ų | 102 | 152.2 Ų | 152.2 | 84% | 0.843 | 77% | 0.772 | S | S | * | * | cis | -173.1 | 168 | -18.7 | 0 | 0 | 0 | 0 | 0 | 109 | ||||
| 384 | G | 29.5 | Very low | 31.7 | Very low | 67 Ų | 67 | 156.6 Ų | 156.6 | 69% | 0.691 | 78% | 0.778 | S | S | * | * | trans | 140 | 127.7 | 153.7 | 0 | 0 | 0 | 0 | 0 | 120.2 | ||||
| 385 | T | 31.5 | Very low | 31.3 | Very low | 148 Ų | 148 | 156 Ų | 156 | 91% | 0.908 | 78% | 0.782 | S | S | * | * | trans | 69.5 | 153.9 | 155.4 | 38.3 | 0 | 0 | 0 | 0 | 121.3 | ||||
| 386 | P | 32.5 | Very low | 31 | Very low | 111 Ų | 111 | 155.3 Ų | 155.3 | 72% | 0.721 | 79% | 0.787 | S | S | * | * | trans | -106.3 | 167.7 | -157.4 | 41.3 | -36.4 | 0 | 0 | 0 | 116.3 | ||||
| 387 | P | 31.1 | Very low | 31.2 | Very low | 127 Ų | 127 | 152.2 Ų | 152.2 | 83% | 0.825 | 79% | 0.789 | S | S | * | * | trans | -92.5 | 145.2 | -174.1 | 35.5 | -35.4 | 0 | 0 | 0 | 115.3 | ||||
| 388 | P | 34 | Very low | 30.9 | Very low | 112 Ų | 112 | 153.6 Ų | 153.6 | 73% | 0.727 | 80% | 0.799 | S | S | * | * | trans | -121.2 | 123.6 | 164.4 | 35.3 | -23.2 | 0 | 0 | 0 | 114.7 | ||||
| 389 | K | 30.6 | Very low | 30.6 | Very low | 202 Ų | 202 | 154.5 Ų | 154.5 | 88% | 0.878 | 80% | 0.803 | S | S | * | * | trans | 53.1 | 95.5 | 142.5 | -57.9 | 177.6 | -178.2 | 177.8 | 0 | 118.5 | R391 | K389-R391 PolarHBondContact O-N 3.23Š| ||
| 390 | H | 30.7 | Very low | 30.4 | Very low | 189 Ų | 189 | 158 Ų | 158 | 88% | 0.875 | 81% | 0.81 | S | S | * | * | trans | -71.5 | 121.5 | 158.9 | -107.4 | -87.8 | 0 | 0 | 0 | 111.9 | ||||
| 391 | R | 26.4 | Very low | 30.4 | Very low | 244 Ų | 244 | 156.7 Ų | 156.7 | 92% | 0.921 | 81% | 0.806 | S | S | * | * | trans | -133.1 | 119.4 | 160.6 | -159.9 | -169.9 | -163.3 | -160.6 | 7.3 | 105.8 | K389 | K389-R391 PolarHBondContact O-N 3.23Š| ||
| 392 | L | 29.6 | Very low | 30.6 | Very low | 153 Ų | 153 | 153.6 Ų | 153.6 | 80% | 0.801 | 80% | 0.798 | S | S | * | * | trans | -154.5 | 149.8 | 174.2 | -110.9 | 170.7 | 0 | 0 | 0 | 111.6 | ||||
| 393 | K | 27.9 | Very low | 30.6 | Very low | 195 Ų | 195 | 150.2 Ų | 150.2 | 85% | 0.848 | 79% | 0.794 | S | S | * | * | trans | -106.5 | 163.4 | 169.9 | -74.5 | -174.7 | 174.1 | -175.6 | 0 | 109.5 | ||||
| 394 | F | 26.8 | Very low | 30.7 | Very low | 193 Ų | 193 | 151.4 Ų | 151.4 | 85% | 0.846 | 78% | 0.782 | S | S | * | * | trans | -57.4 | 149.2 | 178.4 | -65.3 | -94.9 | 0 | 0 | 0 | 114.4 | ||||
| 395 | F | 26.7 | Very low | 30.9 | Very low | 210 Ų | 210 | 155.7 Ų | 155.7 | 92% | 0.921 | 78% | 0.784 | S | S | * | * | -172.3 | 166.6 | 112.3 | -98 | -68.3 | 0 | 0 | 0 | 111.1 | |||||
| 396 | S | 26.4 | Very low | 31 | Very low | 105 Ų | 105 | 152.7 Ų | 152.7 | 73% | 0.734 | 77% | 0.769 | S | S | * | * | trans | -133.8 | -169.6 | -172.6 | -38.4 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 397 | P | 37.9 | Very low | 31 | Very low | 107 Ų | 107 | 154 Ų | 154 | 70% | 0.695 | 77% | 0.77 | S | S | * | * | cis | -139 | -153.1 | -8 | 33 | -7.3 | 0 | 0 | 0 | 114.2 | ||||
| 398 | L | 27.7 | Very low | 30.8 | Very low | 153 Ų | 153 | 155.6 Ų | 155.6 | 80% | 0.801 | 77% | 0.771 | S | S | * | * | trans | 92 | 150.4 | 161.2 | -56.4 | 173.4 | 0 | 0 | 0 | 119.6 | ||||
| 399 | H | 29.6 | Very low | 30.3 | Very low | 156 Ų | 156 | 153.8 Ų | 153.8 | 72% | 0.722 | 77% | 0.765 | S | S | * | * | cis | -175.6 | 148.4 | -27.3 | -169 | -87.2 | 0 | 0 | 0 | 112.6 | ||||
| 400 | R | 31.9 | Very low | 30.2 | Very low | 228 Ų | 228 | 150.6 Ų | 150.6 | 86% | 0.86 | 76% | 0.758 | S | S | * | * | trans | 140.6 | 148.7 | 152.2 | -87.6 | -172.4 | 169.4 | 176.5 | -2.5 | 113.1 | ||||
| 401 | S | 34.4 | Very low | 30.1 | Very low | 95 Ų | 95 | 152.5 Ų | 152.5 | 66% | 0.664 | 76% | 0.757 | S | S | * | * | cis | -179.4 | 163.9 | -21.3 | 47.9 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 402 | K | 36.2 | Very low | 30.2 | Very low | 154 Ų | 154 | 148.8 Ų | 148.8 | 67% | 0.67 | 75% | 0.754 | S | S | * | * | cis | -103.8 | -97.9 | 1.2 | -168.8 | -175.4 | 170.4 | -173.6 | 0 | 110 | H404 | K402-H404 PolarHBondContact NZ-CD2 3.18Å; K402-H404 PolarHBondContact NZ-NE2 3.16Å | ||
| 403 | S | 32.6 | Very low | 30.3 | Very low | 104 Ų | 104 | 149.1 Ų | 149.1 | 73% | 0.727 | 76% | 0.755 | S | S | * | * | cis | -164.1 | 144.6 | -15.3 | -13.6 | 0 | 0 | 0 | 0 | 107.7 | ||||
| 404 | H | 32 | Very low | 30.2 | Very low | 127 Ų | 127 | 147.1 Ų | 147.1 | 59% | 0.588 | 75% | 0.753 | S | S | * | * | cis | -135.4 | -66.3 | -6.5 | -154.3 | -99.7 | 0 | 0 | 0 | 113.3 | K402 | K402-H404 PolarHBondContact NZ-CD2 3.18Å; K402-H404 PolarHBondContact NZ-NE2 3.16Å | ||
| 405 | E | 32.4 | Very low | 30.9 | Very low | 157 Ų | 157 | 143.2 Ų | 143.2 | 73% | 0.734 | 75% | 0.747 | S | S | * | * | trans | -147.9 | 153.5 | -167.1 | -79.9 | 168 | 122.6 | 0 | 0 | 111.7 | ||||
| 406 | S | 33.3 | Very low | 31.3 | Very low | 84 Ų | 84 | 139 Ų | 139 | 59% | 0.587 | 74% | 0.738 | S | S | * | * | cis | -154.3 | 127.3 | -4.7 | -115.2 | 0 | 0 | 0 | 0 | 113 | ||||
| 407 | N | 33.5 | Very low | 31.5 | Very low | 139 Ų | 139 | 141.4 Ų | 141.4 | 74% | 0.743 | 74% | 0.742 | S | S | * | * | trans | 43.2 | 155.7 | 134.1 | -59.2 | -23.6 | 0 | 0 | 0 | 123.5 | ||||
| 408 | L | 26.6 | Very low | 31.8 | Very low | 160 Ų | 160 | 141.3 Ų | 141.3 | 84% | 0.838 | 74% | 0.741 | S | S | * | * | cis | 179.6 | 174.5 | -41.7 | -117.5 | 170.9 | 0 | 0 | 0 | 108.2 | ||||
| 409 | A | 22.9 | Very low | 32.1 | Very low | 75 Ų | 75 | 141.4 Ų | 141.4 | 62% | 0.62 | 74% | 0.742 | S | S | * | * | trans | -141.6 | 146.6 | 173.4 | 0 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 410 | N | 28.1 | Very low | 32.2 | Very low | 135 Ų | 135 | 140.2 Ų | 140.2 | 72% | 0.722 | 75% | 0.746 | S | S | * | * | trans | 81.8 | 127.4 | 153.5 | -72.9 | -48.6 | 0 | 0 | 0 | 123.3 | ||||
| 411 | R | 28.5 | Very low | 32.4 | Very low | 228 Ų | 228 | 134.3 Ų | 134.3 | 86% | 0.86 | 74% | 0.737 | S | S | * | * | trans | 75 | 162 | 148.6 | -62.3 | 168.2 | -175.2 | -169 | -1.1 | 115.4 | ||||
| 412 | I | 29.3 | Very low | 32.3 | Very low | 166 Ų | 166 | 137.2 Ų | 137.2 | 85% | 0.851 | 74% | 0.74 | S | S | * | * | cis | -136.6 | -167.2 | 35.8 | -73.1 | 169.8 | 0 | 0 | 0 | 112.3 | ||||
| 413 | I | 31.1 | Very low | 32 | Very low | 161 Ų | 161 | 137.1 Ų | 137.1 | 83% | 0.826 | 74% | 0.74 | S | S | * | * | trans | -105.3 | 159.2 | -153.5 | -65.9 | 164.5 | 0 | 0 | 0 | 115.4 | ||||
| 414 | L | 27.3 | Very low | 32 | Very low | 153 Ų | 153 | 139.1 Ų | 139.1 | 80% | 0.801 | 74% | 0.737 | S | S | * | * | trans | -44.5 | 171.7 | 168 | -86.1 | 166.2 | 0 | 0 | 0 | 117.8 | ||||
| 415 | P | 40.8 | Very low | 31.9 | Very low | 110 Ų | 110 | 139.3 Ų | 139.3 | 71% | 0.714 | 74% | 0.739 | S | S | * | * | cis | -158.7 | -180 | 48.8 | 43.6 | -19.7 | 0 | 0 | 0 | 122.8 | ||||
| 416 | V | 34 | Very low | 31.8 | Very low | 123 Ų | 123 | 139.8 Ų | 139.8 | 75% | 0.745 | 74% | 0.741 | S | S | * | * | trans | 70.7 | 115.8 | 165 | -161.5 | 0 | 0 | 0 | 0 | 116.9 | ||||
| 417 | L | 31.5 | Very low | 31.6 | Very low | 155 Ų | 155 | 141.3 Ų | 141.3 | 81% | 0.812 | 75% | 0.747 | S | S | * | * | 77.3 | 153.7 | 53.7 | -73.9 | 167.1 | 0 | 0 | 0 | 114.9 | |||||
| 418 | P | 44.4 | Very low | 31.5 | Very low | 105 Ų | 105 | 142.1 Ų | 142.1 | 68% | 0.682 | 75% | 0.751 | S | S | * | * | cis | -134.7 | 164 | 14.3 | 42.7 | -26.8 | 0 | 0 | 0 | 118.2 | ||||
| 419 | N | 32.8 | Very low | 31.7 | Very low | 154 Ų | 154 | 140 Ų | 140 | 82% | 0.824 | 75% | 0.75 | S | S | * | * | -179.5 | 173.6 | 125 | -94.7 | -20.4 | 0 | 0 | 0 | 113.1 | |||||
| 420 | V | 32.4 | Very low | 32 | Very low | 132 Ų | 132 | 140.7 Ų | 140.7 | 80% | 0.8 | 76% | 0.756 | S | S | * | * | trans | -146 | 158 | -155 | 148.5 | 0 | 0 | 0 | 0 | 107.4 | ||||
| 421 | P | 37.3 | Very low | 32 | Very low | 103 Ų | 103 | 139.6 Ų | 139.6 | 67% | 0.669 | 76% | 0.757 | S | S | * | * | cis | -144.5 | 175.8 | 30.5 | 27.5 | -0.7 | 0 | 0 | 0 | 120.7 | ||||
| 422 | Q | 30.8 | Very low | 31.9 | Very low | 156 Ų | 156 | 133.4 Ų | 133.4 | 73% | 0.729 | 75% | 0.748 | S | S | * | * | trans | 88.5 | 127.5 | 133.8 | -90.6 | 170.8 | -1.5 | 0 | 0 | 126.2 | ||||
| 423 | F | 30.7 | Very low | 32 | Very low | 152 Ų | 152 | 133.4 Ų | 133.4 | 67% | 0.667 | 75% | 0.748 | S | S | * | * | trans | 82.5 | 129.4 | 133.9 | -82.1 | -49.7 | 0 | 0 | 0 | 124.9 | ||||
| 424 | H | 31.9 | Very low | 32.1 | Very low | 146 Ų | 146 | 131.1 Ų | 131.1 | 68% | 0.676 | 75% | 0.746 | S | S | * | * | trans | 60.4 | 154.9 | 149.4 | -66.5 | -65.1 | 0 | 0 | 0 | 119.6 | ||||
| 425 | Q | 30.6 | Very low | 32.3 | Very low | 132 Ų | 132 | 134.2 Ų | 134.2 | 62% | 0.617 | 75% | 0.747 | S | S | * | * | cis | -166.8 | 162.1 | -25.5 | 174.9 | 160.2 | -25 | 0 | 0 | 108.9 | ||||
| 426 | E | 30.2 | Very low | 32.3 | Very low | 166 Ų | 166 | 134.2 Ų | 134.2 | 78% | 0.776 | 75% | 0.747 | S | S | * | * | trans | 69.7 | 142.9 | 157.2 | -97.2 | 151.9 | -139.2 | 0 | 0 | 122.9 | ||||
| 427 | T | 29.5 | Very low | 32.3 | Very low | 116 Ų | 116 | 135.7 Ų | 135.7 | 71% | 0.712 | 75% | 0.746 | S | S | * | * | trans | -125.3 | 126.1 | 162.4 | 51.5 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 428 | N | 30 | Very low | 32.2 | Very low | 157 Ų | 157 | 134.4 Ų | 134.4 | 84% | 0.84 | 74% | 0.739 | S | S | * | * | trans | 160 | 132.2 | 136.2 | -84.9 | -31.3 | 0 | 0 | 0 | 112.7 | ||||
| 429 | S | 30.6 | Very low | 31.7 | Very low | 116 Ų | 116 | 136.3 Ų | 136.3 | 81% | 0.811 | 74% | 0.743 | S | S | * | * | 168.7 | 166.1 | 109.9 | 52.4 | 0 | 0 | 0 | 0 | 113.5 | |||||
| 430 | A | 30.3 | Very low | 31.6 | Very low | 89 Ų | 89 | 136.1 Ų | 136.1 | 74% | 0.736 | 74% | 0.741 | S | S | * | * | trans | 69 | 98.4 | 161 | 0 | 0 | 0 | 0 | 0 | 120.8 | ||||
| 431 | C | 28 | Very low | 31.7 | Very low | 112 Ų | 112 | 134 Ų | 134 | 76% | 0.757 | 73% | 0.731 | S | S | * | * | 49.6 | 140.6 | 97.8 | -171.4 | 0 | 0 | 0 | 0 | 119.6 | |||||
| 432 | C | 25.8 | Very low | 31.5 | Very low | 98 Ų | 98 | 136 Ų | 136 | 66% | 0.662 | 74% | 0.737 | S | S | * | * | cis | -164.9 | -156.5 | -4.4 | -77.5 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 433 | I | 31.9 | Very low | 31.9 | Very low | 165 Ų | 165 | 133 Ų | 133 | 85% | 0.846 | 73% | 0.732 | S | S | * | * | trans | 80.7 | 129.9 | 164 | -52.5 | 172 | 0 | 0 | 0 | 113.3 | ||||
| 434 | S | 32.6 | Very low | 32 | Very low | 114 Ų | 114 | 133.6 Ų | 133.6 | 80% | 0.797 | 74% | 0.741 | S | S | * | * | cis | -153 | 178.8 | -4.3 | 50.8 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 435 | R | 32.5 | Very low | 31.9 | Very low | 218 Ų | 218 | 130.7 Ų | 130.7 | 82% | 0.823 | 74% | 0.737 | S | S | * | * | trans | -137.1 | 149.5 | 176.7 | -166.3 | -173.6 | -168.8 | -172.9 | 6.3 | 109.2 | ||||
| 436 | P | 41.4 | Very low | 32.5 | Very low | 110 Ų | 110 | 130.5 Ų | 130.5 | 71% | 0.714 | 75% | 0.747 | S | S | * | * | -135.4 | 159.2 | 125.1 | 31.3 | -15.7 | 0 | 0 | 0 | 111.7 | |||||
| 437 | Q | 32.3 | Very low | 32.5 | Very low | 153 Ų | 153 | 130.1 Ų | 130.1 | 72% | 0.715 | 75% | 0.751 | S | S | * | * | cis | 74.2 | 144.5 | 39.3 | -77.8 | -168.8 | -14.7 | 0 | 0 | 113.4 | ||||
| 438 | L | 31.2 | Very low | 32.7 | Very low | 128 Ų | 128 | 129.2 Ų | 129.2 | 67% | 0.67 | 76% | 0.755 | S | S | * | * | cis | -161.9 | 177.9 | 17 | -136.4 | 172.8 | 0 | 0 | 0 | 112 | ||||
| 439 | L | 32 | Very low | 32.7 | Very low | 146 Ų | 146 | 126.6 Ų | 126.6 | 76% | 0.764 | 75% | 0.749 | S | S | * | * | trans | 74.9 | 133.1 | 168.1 | -46.3 | 151.6 | 0 | 0 | 0 | 114.5 | ||||
| 440 | L | 32 | Very low | 32.7 | Very low | 149 Ų | 149 | 125.7 Ų | 125.7 | 78% | 0.78 | 74% | 0.743 | S | S | * | * | cis | -156.5 | -178.9 | -2.3 | -142.4 | 66.6 | 0 | 0 | 0 | 106.5 | ||||
| 441 | C | 33.6 | Very low | 32.6 | Very low | 89 Ų | 89 | 127.8 Ų | 127.8 | 60% | 0.601 | 74% | 0.741 | S | S | * | * | cis | -160.2 | 175.8 | 7.9 | -156.7 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 442 | N | 34.6 | Very low | 32.7 | Very low | 145 Ų | 145 | 128.5 Ų | 128.5 | 78% | 0.775 | 74% | 0.737 | S | S | * | * | trans | 8.5 | 142.8 | 154.2 | -67.7 | 1.2 | 0 | 0 | 0 | 122.1 | ||||
| 443 | S | 37.6 | Very low | 32.8 | Very low | 92 Ų | 92 | 130.3 Ų | 130.3 | 64% | 0.643 | 74% | 0.735 | S | S | * | * | cis | -163.5 | 136.8 | 4 | 46.9 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 444 | I | 33.8 | Very low | 32.7 | Very low | 165 Ų | 165 | 128.3 Ų | 128.3 | 85% | 0.846 | 73% | 0.726 | S | S | * | * | trans | 52.5 | 140.9 | 130.1 | -53.2 | 168 | 0 | 0 | 0 | 119.2 | ||||
| 445 | S | 30.5 | Very low | 32.7 | Very low | 84 Ų | 84 | 127.2 Ų | 127.2 | 59% | 0.587 | 71% | 0.711 | S | S | * | * | cis | -177.2 | 160.5 | -27.9 | -164.1 | 0 | 0 | 0 | 0 | 106.5 | ||||
| 446 | P | 41.8 | Very low | 32.5 | Very low | 129 Ų | 129 | 125.3 Ų | 125.3 | 84% | 0.838 | 71% | 0.706 | S | S | * | * | -148.5 | 153.6 | 95.2 | 38.1 | -21.5 | 0 | 0 | 0 | 116.1 | |||||
| 447 | D | 30.1 | Very low | 31.9 | Very low | 158 Ų | 158 | 128.4 Ų | 128.4 | 85% | 0.845 | 71% | 0.708 | S | S | * | * | trans | -106.6 | 142.5 | 169.8 | -79.6 | -63.2 | 0 | 0 | 0 | 112 | ||||
| 448 | A | 33.4 | Very low | 31.6 | Very low | 97 Ų | 97 | 125.4 Ų | 125.4 | 80% | 0.802 | 70% | 0.704 | S | S | * | * | trans | -160.4 | 120.8 | 150.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 449 | S | 31 | Very low | 31.4 | Very low | 102 Ų | 102 | 129.5 Ų | 129.5 | 71% | 0.713 | 71% | 0.712 | S | S | * | * | trans | -19.8 | 138.1 | 160.3 | 52 | 0 | 0 | 0 | 0 | 117.3 | ||||
| 450 | S | 30.6 | Very low | 31.3 | Very low | 97 Ų | 97 | 127 Ų | 127 | 68% | 0.678 | 71% | 0.707 | S | S | * | * | 60.5 | 145.5 | 55.9 | 96.4 | 0 | 0 | 0 | 0 | 112.6 | |||||
| 451 | N | 29.1 | Very low | 31.1 | Very low | 132 Ų | 132 | 128.3 Ų | 128.3 | 71% | 0.706 | 71% | 0.709 | S | S | * | * | cis | -152.8 | 165.3 | 5 | -116.1 | -8.4 | 0 | 0 | 0 | 108.1 | ||||
| 452 | L | 28.1 | Very low | 30.9 | Very low | 128 Ų | 128 | 129.4 Ų | 129.4 | 67% | 0.67 | 72% | 0.717 | S | S | * | * | 53.6 | 144.2 | 82.8 | -114 | 78.4 | 0 | 0 | 0 | 113.3 | |||||
| 453 | H | 28.2 | Very low | 30.8 | Very low | 136 Ų | 136 | 129.2 Ų | 129.2 | 63% | 0.63 | 71% | 0.714 | S | S | * | * | cis | -172.7 | -170.9 | 21.7 | -157.6 | 24 | 0 | 0 | 0 | 113.1 | ||||
| 454 | N | 31 | Very low | 30.4 | Very low | 122 Ų | 122 | 132 Ų | 132 | 65% | 0.652 | 72% | 0.722 | S | S | * | * | trans | 103.5 | 140.2 | 149.2 | -53.8 | -47.7 | 0 | 0 | 0 | 117.2 | ||||
| 455 | N | 31.4 | Very low | 30 | Very low | 91 Ų | 91 | 127.3 Ų | 127.3 | 49% | 0.487 | 71% | 0.714 | S | S | . | * | cis | -167 | 166.8 | -18.9 | -106.4 | -14.3 | 0 | 0 | 0 | 108.2 | ||||
| 456 | Y | 29.6 | Very low | 30 | Very low | 179 Ų | 179 | 129.6 Ų | 129.6 | 70% | 0.702 | 73% | 0.73 | S | S | * | * | cis | -141.9 | -132.4 | 3.1 | -129.1 | -25.4 | 0 | 0 | 0 | 108.2 | ||||
| 457 | F | 28.9 | Very low | 29.6 | Very low | 174 Ų | 174 | 134.8 Ų | 134.8 | 76% | 0.763 | 73% | 0.733 | S | S | * | * | cis | -156.6 | 143.4 | -0.7 | -121.9 | -42.3 | 0 | 0 | 0 | 111.2 | ||||
| 458 | S | 25 | Very low | 30 | Very low | 91 Ų | 91 | 133.4 Ų | 133.4 | 64% | 0.636 | 73% | 0.732 | S | S | * | * | trans | 40.4 | 122.1 | 145.1 | -72.3 | 0 | 0 | 0 | 0 | 126.1 | ||||
| 459 | Y | 26.8 | Very low | 29.8 | Very low | 213 Ų | 213 | 133.9 Ų | 133.9 | 84% | 0.835 | 73% | 0.729 | S | S | * | * | trans | 100.9 | 129.1 | 130.1 | -99.7 | -95.9 | 0 | 0 | 0 | 123.9 | ||||
| 460 | S | 29.7 | Very low | 29.8 | Very low | 93 Ų | 93 | 136 Ų | 136 | 65% | 0.65 | 73% | 0.73 | S | S | * | * | trans | 64.6 | 118.6 | 151 | 46 | 0 | 0 | 0 | 0 | 123.8 | ||||
| 461 | E | 28.8 | Very low | 29.7 | Very low | 178 Ų | 178 | 137 Ų | 137 | 83% | 0.832 | 73% | 0.733 | S | S | * | * | trans | 66 | 125.1 | 132.5 | -66.6 | -179.1 | 165.5 | 0 | 0 | 120.2 | ||||
| 462 | C | 28.7 | Very low | 29.6 | Very low | 112 Ų | 112 | 136 Ų | 136 | 76% | 0.757 | 73% | 0.731 | S | S | * | * | 74.9 | 137.9 | 66.1 | -66.8 | 0 | 0 | 0 | 0 | 113.2 | |||||
| 463 | I | 31.7 | Very low | 29.7 | Very low | 141 Ų | 141 | 135.2 Ų | 135.2 | 72% | 0.723 | 73% | 0.732 | S | S | * | * | cis | -155.7 | 175.6 | 3.8 | -122 | 164.3 | 0 | 0 | 0 | 111.1 | ||||
| 464 | N | 29.9 | Very low | 29.7 | Very low | 150 Ų | 150 | 137.1 Ų | 137.1 | 80% | 0.802 | 74% | 0.741 | S | S | * | * | trans | -28.2 | 158.6 | 168.5 | -45.5 | -34 | 0 | 0 | 0 | 117.4 | ||||
| 465 | G | 26.3 | Very low | 29.7 | Very low | 66 Ų | 66 | 137.2 Ų | 137.2 | 68% | 0.68 | 75% | 0.75 | S | S | * | * | cis | 139 | 164.1 | 4.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 466 | S | 28.9 | Very low | 29.6 | Very low | 132 Ų | 132 | 136.2 Ų | 136.2 | 92% | 0.923 | 76% | 0.761 | S | S | * | * | trans | 96.5 | 145 | 174.9 | -44.5 | 0 | 0 | 0 | 0 | 119.2 | ||||
| 467 | R | 34.5 | Very low | 29.4 | Very low | 239 Ų | 239 | 133.9 Ų | 133.9 | 90% | 0.902 | 77% | 0.765 | S | S | * | * | trans | -93.8 | 170.4 | 175.1 | -80.3 | 179.5 | 178.6 | -178.5 | -0.6 | 109.8 | ||||
| 468 | P | 38.3 | Very low | 29.3 | Very low | 128 Ų | 128 | 130.8 Ų | 130.8 | 83% | 0.831 | 76% | 0.764 | S | S | * | * | cis | -144.8 | -135.3 | 40.6 | 42.5 | -18.6 | 0 | 0 | 0 | 116.5 | ||||
| 469 | C | 28.9 | Very low | 29.7 | Very low | 108 Ų | 108 | 131.7 Ų | 131.7 | 73% | 0.73 | 77% | 0.766 | S | S | * | * | trans | -130.3 | -175 | -142.8 | -54.8 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 470 | I | 30.5 | Very low | 29.9 | Very low | 146 Ų | 146 | 128.7 Ų | 128.7 | 75% | 0.749 | 76% | 0.764 | S | S | * | * | trans | 98.2 | 130.4 | 156.9 | -50.4 | -179.6 | 0 | 0 | 0 | 116.9 | ||||
| 471 | T | 28.6 | Very low | 30.2 | Very low | 118 Ų | 118 | 129.1 Ų | 129.1 | 72% | 0.724 | 77% | 0.767 | S | S | * | * | trans | 61.5 | 142.8 | 162.1 | 46 | 0 | 0 | 0 | 0 | 120.5 | ||||
| 472 | T | 28.7 | Very low | 30.2 | Very low | 111 Ų | 111 | 127.6 Ų | 127.6 | 68% | 0.681 | 76% | 0.764 | S | S | * | * | cis | -164.3 | 166.9 | -28.7 | 6.2 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 473 | T | 29.9 | Very low | 30.2 | Very low | 112 Ų | 112 | 127.8 Ų | 127.8 | 69% | 0.687 | 76% | 0.762 | S | S | * | * | trans | 39.7 | 92.9 | 154.2 | 55.2 | 0 | 0 | 0 | 0 | 117.4 | ||||
| 474 | Q | 27.5 | Very low | 30.2 | Very low | 176 Ų | 176 | 128.6 Ų | 128.6 | 82% | 0.822 | 77% | 0.766 | S | S | * | * | 67.8 | 129.2 | 87.3 | -78.5 | -171.5 | -50.2 | 0 | 0 | 116.7 | |||||
| 475 | C | 30.6 | Very low | 30.2 | Very low | 123 Ų | 123 | 125.3 Ų | 125.3 | 83% | 0.831 | 76% | 0.755 | S | S | * | * | trans | 62.6 | 105.1 | 149.6 | -62.9 | 0 | 0 | 0 | 0 | 118.5 | ||||
| 476 | G | 29.7 | Very low | 30.4 | Very low | 70 Ų | 70 | 129.3 Ų | 129.3 | 72% | 0.722 | 76% | 0.761 | S | S | * | * | trans | -121 | 45.6 | -179.7 | 0 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 477 | V | 25.7 | Very low | 30.4 | Very low | 130 Ų | 130 | 126.5 Ų | 126.5 | 79% | 0.788 | 75% | 0.753 | S | S | * | * | trans | 67.8 | 172.1 | 166.1 | -149.3 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 478 | C | 25.8 | Very low | 30.3 | Very low | 109 Ų | 109 | 121.5 Ų | 121.5 | 74% | 0.736 | 74% | 0.744 | S | S | * | * | cis | -146.5 | 156.4 | 13.3 | -39.7 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 479 | V | 34.5 | Very low | 30 | Very low | 111 Ų | 111 | 123.5 Ų | 123.5 | 67% | 0.673 | 74% | 0.74 | S | S | * | * | cis | -151.9 | 153.5 | -2.8 | -122.8 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 480 | N | 31.4 | Very low | 30.2 | Very low | 149 Ų | 149 | 123.6 Ų | 123.6 | 80% | 0.797 | 74% | 0.737 | S | S | * | * | trans | 65 | 147.5 | 159.7 | -58.3 | -5.7 | 0 | 0 | 0 | 116.5 | ||||
| 481 | S | 35.4 | Very low | 30.3 | Very low | 102 Ų | 102 | 123 Ų | 123 | 71% | 0.713 | 74% | 0.739 | S | S | * | * | cis | -129.8 | 148.8 | -12.6 | -65.3 | 0 | 0 | 0 | 0 | 107.1 | ||||
| 482 | D | 29.5 | Very low | 30.4 | Very low | 146 Ų | 146 | 121.5 Ų | 121.5 | 78% | 0.781 | 73% | 0.734 | S | S | * | * | 47.5 | 111.1 | 72.9 | -94.2 | -23.1 | 0 | 0 | 0 | 115 | |||||
| 483 | V | 28.6 | Very low | 30.2 | Very low | 116 Ų | 116 | 120.9 Ų | 120.9 | 70% | 0.703 | 73% | 0.73 | S | S | * | * | 58.1 | 135.9 | 127.8 | 176.9 | 0 | 0 | 0 | 0 | 119.6 | |||||
| 484 | I | 30.9 | Very low | 30.1 | Very low | 158 Ų | 158 | 123 Ų | 123 | 81% | 0.81 | 73% | 0.73 | S | S | * | * | trans | 71.6 | 139.6 | 172.2 | -70.6 | 158.3 | 0 | 0 | 0 | 115 | ||||
| 485 | S | 30.4 | Very low | 30.3 | Very low | 82 Ų | 82 | 124 Ų | 124 | 57% | 0.573 | 73% | 0.728 | S | S | * | * | cis | -167.9 | 174.4 | -26.9 | 69.3 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 486 | N | 29.5 | Very low | 30.2 | Very low | 149 Ų | 149 | 125.2 Ų | 125.2 | 80% | 0.797 | 72% | 0.721 | S | S | * | * | trans | 35.6 | 109.5 | 143 | -58 | -22.4 | 0 | 0 | 0 | 120 | ||||
| 487 | G | 30.5 | Very low | 30.2 | Very low | 73 Ų | 73 | 126.7 Ų | 126.7 | 75% | 0.753 | 72% | 0.716 | S | S | * | * | trans | -170.5 | 68.6 | 167.3 | 0 | 0 | 0 | 0 | 0 | 112 | ||||
| 488 | N | 31.2 | Very low | 30.2 | Very low | 134 Ų | 134 | 125.4 Ų | 125.4 | 72% | 0.717 | 71% | 0.713 | S | S | * | * | 39.5 | 114.2 | 94.7 | -80.5 | -39.6 | 0 | 0 | 0 | 112 | |||||
| 489 | K | 32.9 | Very low | 30.2 | Very low | 171 Ų | 171 | 124.4 Ų | 124.4 | 74% | 0.743 | 71% | 0.707 | S | S | * | * | cis | -174.3 | 172.3 | 29 | -97.5 | 166.1 | -176.8 | 175.6 | 0 | 106.1 | ||||
| 490 | T | 32.8 | Very low | 30 | Very low | 110 Ų | 110 | 126.6 Ų | 126.6 | 68% | 0.675 | 71% | 0.713 | S | S | * | * | cis | -174.2 | 161 | 5.5 | 17.3 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 491 | V | 32.4 | Very low | 30 | Very low | 132 Ų | 132 | 123.3 Ų | 123.3 | 80% | 0.8 | 70% | 0.702 | S | S | * | * | trans | 66.2 | 142 | 141.1 | 162.8 | 0 | 0 | 0 | 0 | 118.1 | ||||
| 492 | S | 30.2 | Very low | 29.6 | Very low | 88 Ų | 88 | 125 Ų | 125 | 62% | 0.615 | 70% | 0.703 | S | S | * | * | cis | -168 | 151.8 | -19.5 | 61.7 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 493 | T | 25 | Very low | 29.6 | Very low | 98 Ų | 98 | 122.2 Ų | 122.2 | 60% | 0.601 | 70% | 0.695 | S | S | * | * | trans | 5 | 154.8 | 141.6 | 57.7 | 0 | 0 | 0 | 0 | 122.4 | ||||
| 494 | F | 27.1 | Very low | 29.8 | Very low | 157 Ų | 157 | 122.5 Ų | 122.5 | 69% | 0.689 | 70% | 0.698 | S | S | * | * | trans | 75.5 | 150.9 | 169.3 | -45 | -71.4 | 0 | 0 | 0 | 114.4 | ||||
| 495 | Y | 31.3 | Very low | 29.8 | Very low | 195 Ų | 195 | 120 Ų | 120 | 77% | 0.765 | 69% | 0.694 | S | S | * | * | cis | -121.2 | 154.5 | 10.3 | -82.1 | -91.1 | 0 | 0 | 0 | 110.4 | ||||
| 496 | H | 30.4 | Very low | 30 | Very low | 149 Ų | 149 | 121.5 Ų | 121.5 | 69% | 0.69 | 70% | 0.7 | S | S | * | * | 52.5 | 131.8 | 73.9 | -103.6 | -99.7 | 0 | 0 | 0 | 111.4 | |||||
| 497 | T | 29 | Very low | 30 | Very low | 102 Ų | 102 | 122 Ų | 122 | 63% | 0.626 | 70% | 0.702 | S | S | * | * | cis | -165.7 | -176.7 | 0.1 | -5.6 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 498 | S | 26 | Very low | 30.1 | Very low | 102 Ų | 102 | 124.3 Ų | 124.3 | 71% | 0.713 | 70% | 0.701 | S | S | * | * | trans | 7 | 146.8 | 131.5 | -40.8 | 0 | 0 | 0 | 0 | 117.8 | ||||
| 499 | S | 25.6 | Very low | 30.1 | Very low | 89 Ų | 89 | 124.2 Ų | 124.2 | 62% | 0.622 | 71% | 0.705 | S | S | * | * | cis | 160.7 | 178.3 | 9.2 | 48.2 | 0 | 0 | 0 | 0 | 106.6 | ||||
| 500 | I | 29.9 | Very low | 29.9 | Very low | 156 Ų | 156 | 121.1 Ų | 121.1 | 80% | 0.8 | 71% | 0.705 | S | S | * | * | trans | 68.6 | 139.5 | 158.5 | -69.5 | 163.8 | 0 | 0 | 0 | 113.7 | ||||
| 501 | S | 30.5 | Very low | 30.2 | Very low | 80 Ų | 80 | 121.7 Ų | 121.7 | 56% | 0.559 | 71% | 0.711 | S | S | * | * | cis | -162.6 | 177.7 | -18.4 | 55.5 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 502 | D | 28.9 | Very low | 30.3 | Very low | 138 Ų | 138 | 126.5 Ų | 126.5 | 74% | 0.738 | 72% | 0.715 | S | S | * | * | trans | 65.9 | 156.7 | 151.3 | -68.4 | -51.3 | 0 | 0 | 0 | 118.9 | ||||
| 503 | S | 29.5 | Very low | 30.7 | Very low | 87 Ų | 87 | 128.6 Ų | 128.6 | 61% | 0.608 | 72% | 0.724 | S | S | * | * | cis | -160.8 | 176.6 | -26.6 | -114.4 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 504 | T | 32.3 | Very low | 30.9 | Very low | 123 Ų | 123 | 134.3 Ų | 134.3 | 76% | 0.755 | 74% | 0.736 | S | S | * | * | trans | 54 | 102.5 | 158.3 | 47.3 | 0 | 0 | 0 | 0 | 117.8 | ||||
| 505 | S | 30.6 | Very low | 31.2 | Very low | 104 Ų | 104 | 132.5 Ų | 132.5 | 73% | 0.727 | 73% | 0.734 | S | S | * | * | 79.4 | 141.3 | 102.1 | 79.3 | 0 | 0 | 0 | 0 | 115.2 | |||||
| 506 | T | 33.9 | Very low | 31.4 | Very low | 115 Ų | 115 | 129 Ų | 129 | 71% | 0.706 | 72% | 0.724 | S | S | * | * | cis | -148.9 | 165.5 | 35.2 | 38.9 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 507 | L | 29.5 | Very low | 31.5 | Very low | 159 Ų | 159 | 125.2 Ų | 125.2 | 83% | 0.832 | 73% | 0.725 | S | S | * | * | trans | 22.4 | 135.5 | 139.7 | -51.4 | 163.3 | 0 | 0 | 0 | 118.3 | ||||
| 508 | V | 32.3 | Very low | 31.6 | Very low | 122 Ų | 122 | 130 Ų | 130 | 74% | 0.739 | 73% | 0.732 | S | S | * | * | -166.3 | 137 | 66 | 156.9 | 0 | 0 | 0 | 0 | 112 | |||||
| 509 | T | 31.3 | Very low | 31.9 | Very low | 132 Ų | 132 | 135.6 Ų | 135.6 | 81% | 0.81 | 74% | 0.737 | S | S | * | * | trans | 36.3 | 121.2 | 162.8 | 60.8 | 0 | 0 | 0 | 0 | 123.2 | ||||
| 510 | S | 29.2 | Very low | 32.1 | Very low | 106 Ų | 106 | 136.9 Ų | 136.9 | 74% | 0.741 | 74% | 0.741 | S | S | * | * | trans | -93.5 | -176.1 | 130.2 | 65.6 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 511 | P | 40.1 | Very low | 31.9 | Very low | 122 Ų | 122 | 134.3 Ų | 134.3 | 79% | 0.792 | 74% | 0.737 | S | S | * | * | cis | -124.3 | -168 | -14.8 | 38.3 | -20.8 | 0 | 0 | 0 | 112.5 | ||||
| 512 | R | 34.4 | Very low | 31.7 | Very low | 232 Ų | 232 | 135.6 Ų | 135.6 | 88% | 0.875 | 75% | 0.745 | S | S | * | * | trans | -94.6 | 142.1 | 174.2 | -77.5 | -177.1 | 172.7 | 173.9 | -2.5 | 113.4 | ||||
| 513 | T | 37.2 | Very low | 31.6 | Very low | 132 Ų | 132 | 136.8 Ų | 136.8 | 81% | 0.81 | 75% | 0.746 | S | S | * | * | trans | 51.4 | 95 | 150 | 55 | 0 | 0 | 0 | 0 | 119.7 | ||||
| 514 | Y | 30.3 | Very low | 31.5 | Very low | 219 Ų | 219 | 142.1 Ų | 142.1 | 86% | 0.859 | 75% | 0.754 | S | S | * | * | -67.3 | 168.8 | 129.5 | -90.6 | -112.9 | 0 | 0 | 0 | 109 | |||||
| 515 | D | 32.4 | Very low | 31.3 | Very low | 119 Ų | 119 | 147.1 Ų | 147.1 | 64% | 0.636 | 76% | 0.759 | S | S | * | * | -176.5 | 167.3 | 53.6 | -140.6 | 25.3 | 0 | 0 | 0 | 107.3 | |||||
| 516 | Q | 35.3 | Very low | 31.7 | Very low | 121 Ų | 121 | 148 Ų | 148 | 57% | 0.565 | 76% | 0.762 | S | S | * | * | cis | -163.3 | 155.2 | -17.5 | -138.4 | 174 | 77.3 | 0 | 0 | 105.3 | R518 | Q516-R518 HydrophobicContact CG-CG 4.37Š| ||
| 517 | G | 32.4 | Very low | 31.4 | Very low | 69 Ų | 69 | 147.7 Ų | 147.7 | 71% | 0.711 | 77% | 0.765 | S | S | * | * | cis | -177.3 | -149.3 | -4.4 | 0 | 0 | 0 | 0 | 0 | 106.3 | ||||
| 518 | R | 32.9 | Very low | 31.2 | Very low | 202 Ų | 202 | 149.4 Ų | 149.4 | 76% | 0.762 | 77% | 0.765 | S | S | * | * | cis | -152.3 | -165.2 | 0.9 | -59 | 178.3 | 173.9 | 114.4 | 3.4 | 104.8 | Q516 | Q516-R518 HydrophobicContact CG-CG 4.37Š| ||
| 519 | R | 31.3 | Very low | 31.1 | Very low | 220 Ų | 220 | 150.6 Ų | 150.6 | 83% | 0.83 | 77% | 0.773 | S | S | * | * | cis | -162.6 | 116.2 | 4.8 | -169.1 | -168.7 | 176.7 | -163.4 | -0.7 | 109.6 | ||||
| 520 | V | 29.7 | Very low | 30.9 | Very low | 116 Ų | 116 | 151.9 Ų | 151.9 | 70% | 0.703 | 78% | 0.775 | S | S | * | * | trans | 66.5 | 122 | 145.8 | 173.3 | 0 | 0 | 0 | 0 | 117.7 | ||||
| 521 | S | 25.6 | Very low | 30.9 | Very low | 103 Ų | 103 | 155.2 Ų | 155.2 | 72% | 0.72 | 78% | 0.784 | S | S | * | * | cis | 75.1 | 150.7 | 46.9 | -42.7 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 522 | C | 27.6 | Very low | 30.5 | Very low | 106 Ų | 106 | 156.7 Ų | 156.7 | 72% | 0.716 | 78% | 0.78 | S | S | * | * | cis | -130 | -154.4 | 1.5 | -56 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 523 | E | 25.5 | Very low | 30.3 | Very low | 164 Ų | 164 | 151.8 Ų | 151.8 | 77% | 0.766 | 78% | 0.779 | S | S | * | * | cis | -164.2 | -170.3 | -6.6 | -142.6 | 161.7 | -81.1 | 0 | 0 | 112.4 | ||||
| 524 | Y | 27.2 | Very low | 29.8 | Very low | 199 Ų | 199 | 151.6 Ų | 151.6 | 78% | 0.78 | 77% | 0.772 | S | S | * | * | trans | 81.8 | 88.2 | 149.1 | -127.9 | -84.9 | 0 | 0 | 0 | 123 | ||||
| 525 | R | 27.7 | Very low | 29.7 | Very low | 228 Ų | 228 | 147.4 Ų | 147.4 | 86% | 0.86 | 76% | 0.762 | S | S | * | * | trans | 29.8 | 156.6 | 138.1 | -81.9 | -165.8 | 164.4 | -178.7 | -3.2 | 124.8 | ||||
| 526 | P | 39.8 | Very low | 29.6 | Very low | 122 Ų | 122 | 147.4 Ų | 147.4 | 79% | 0.792 | 77% | 0.766 | S | S | * | * | trans | -121.3 | -178.4 | -155.4 | 44.9 | -33.3 | 0 | 0 | 0 | 116.1 | ||||
| 527 | S | 27.1 | Very low | 29.3 | Very low | 108 Ų | 108 | 146.9 Ų | 146.9 | 76% | 0.755 | 77% | 0.771 | S | S | * | * | trans | -150.9 | 135.8 | 151.7 | 76.3 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 528 | K | 26.4 | Very low | 29.2 | Very low | 195 Ų | 195 | 148.6 Ų | 148.6 | 85% | 0.848 | 77% | 0.773 | S | S | * | * | trans | 35.1 | 121.1 | 150.7 | -58.3 | 176.3 | -178.6 | 177.1 | 0 | 121.2 | ||||
| 529 | T | 30.6 | Very low | 29 | Very low | 148 Ų | 148 | 142.6 Ų | 142.6 | 91% | 0.908 | 77% | 0.766 | S | S | * | * | -168.4 | 165.8 | 102.8 | 17.8 | 0 | 0 | 0 | 0 | 112 | |||||
| 530 | N | 26.4 | Very low | 28.9 | Very low | 158 Ų | 158 | 139.3 Ų | 139.3 | 85% | 0.845 | 77% | 0.765 | S | S | * | * | trans | -86.9 | 152.3 | -175.6 | -64.3 | -51.1 | 0 | 0 | 0 | 112.9 | ||||
| 531 | L | 29.9 | Very low | 28.9 | Very low | 176 Ų | 176 | 139.1 Ų | 139.1 | 92% | 0.921 | 77% | 0.769 | S | S | * | * | trans | -154.1 | 125 | 142.2 | -109.5 | 165.6 | 0 | 0 | 0 | 109.5 | ||||
| 532 | Q | 31.6 | Very low | 29.2 | Very low | 153 Ų | 153 | 141.4 Ų | 141.4 | 72% | 0.715 | 77% | 0.773 | S | S | * | * | trans | -89.5 | 156 | 175.1 | -72.3 | 179.9 | -27.7 | 0 | 0 | 110.8 | L534 | Q532-L534 PolarHBondContact O-N 3.17Š| ||
| 533 | P | 29.7 | Very low | 29.7 | Very low | 130 Ų | 130 | 142.7 Ų | 142.7 | 84% | 0.844 | 77% | 0.773 | S | S | * | * | trans | -69.2 | 86.7 | 158.1 | 31.2 | -32.8 | 0 | 0 | 0 | 108.9 | M535 | P533-M535 PolarHBondContact O-N 3.46Å; P533-M535 VanDerWaalsContact O-N 3.13Å | ||
| 534 | L | 27.4 | Very low | 30.5 | Very low | 128 Ų | 128 | 141.6 Ų | 141.6 | 67% | 0.67 | 77% | 0.771 | S | S | * | * | trans | -69.2 | 106.6 | -176.8 | -171.4 | 74.3 | 0 | 0 | 0 | 110.4 | Q532 T536 | Q532-L534 PolarHBondContact O-N 3.17Å; L534-T536 HydrophobicContact CD2-CG2 3.86Å; L534-T536 HydrophobicContact CG-CG2 4.18Å; L534-T536 PolarHBondContact O-N 3.47Å; L534-T536 VanDerWaalsContact O-N 3.15Å | ||
| 535 | M | 26.9 | Very low | 31.9 | Very low | 131 Ų | 131 | 134.2 Ų | 134.2 | 65% | 0.645 | 75% | 0.745 | S | S | * | * | trans | -68.7 | 107.4 | 160.1 | -83 | -161.6 | 170.6 | 0 | 0 | 108.3 | P533 T537 L548 | P533-M535 PolarHBondContact O-N 3.46Å; P533-M535 VanDerWaalsContact O-N 3.13Å; M535-T537 PolarHBondContact O-N 3.2Å; M535-L548 HydrophobicContact CE-CD1 4.28Å; M535-L548 HydrophobicContact CE-CD2 4.22Å | ||
| 536 | T | 30.8 | Very low | 33.5 | Very low | 118 Ų | 118 | 125.4 Ų | 125.4 | 72% | 0.724 | 73% | 0.725 | S | S | * | * | trans | -77.4 | 70.1 | 175.7 | 53.4 | 0 | 0 | 0 | 0 | 110.6 | L534 S538 | L534-T536 HydrophobicContact CD2-CG2 3.86Å; L534-T536 HydrophobicContact CG-CG2 4.18Å; L534-T536 PolarHBondContact O-N 3.47Å; L534-T536 VanDerWaalsContact O-N 3.15Å; T536-S538 PolarHBondContact O-N 3.49Å | ||
| 537 | T | 28.7 | Very low | 35.1 | Very low | 111 Ų | 111 | 122.8 Ų | 122.8 | 68% | 0.681 | 71% | 0.706 | S | S | * | * | trans | -75.4 | 75.5 | 167.2 | 52.1 | 0 | 0 | 0 | 0 | 109.7 | M535 A539 | M535-T537 PolarHBondContact O-N 3.2Å; T537-A539 PolarHBondContact O-N 3.15Å | ||
| 538 | S | 29.7 | Very low | 37.4 | Very low | 105 Ų | 105 | 121.3 Ų | 121.3 | 73% | 0.734 | 69% | 0.69 | S | S | * | * | trans | -74.3 | 107.6 | 164 | -167.4 | 0 | 0 | 0 | 0 | 107.8 | T536 | T536-S538 PolarHBondContact O-N 3.49Š| ||
| 539 | A | 29 | Very low | 39.8 | Very low | 76 Ų | 76 | 117.2 Ų | 117.2 | 63% | 0.628 | 68% | 0.677 | S | S | * | * | trans | -84.6 | 113.3 | 170.2 | 0 | 0 | 0 | 0 | 0 | 109.2 | T537 | T537-A539 PolarHBondContact O-N 3.15Š| ||
| 540 | D | 30 | Very low | 41.9 | Very low | 150 Ų | 150 | 113 Ų | 113 | 80% | 0.802 | 65% | 0.651 | S | S | * | * | trans | -175 | 132.8 | 140.5 | -95.9 | -26.9 | 0 | 0 | 0 | 110.1 | ||||
| 541 | S | 29 | Very low | 43.4 | Very low | 112 Ų | 112 | 111.1 Ų | 111.1 | 78% | 0.783 | 65% | 0.647 | S | S | * | * | S | Bend | trans | 59.3 | 120 | 173.8 | 59 | 0 | 0 | 0 | 0 | 119.1 | ||
| 542 | D | 32.4 | Very low | 44.6 | Very low | 151 Ų | 151 | 106.3 Ų | 106.3 | 81% | 0.807 | 63% | 0.625 | S | S | * | * | S | Bend | trans | 49.4 | 107.9 | 157.6 | -61.7 | -7.5 | 0 | 0 | 0 | 120.9 | ||
| 543 | N | 38.6 | Very low | 45.1 | Very low | 133 Ų | 133 | 107.7 Ų | 107.7 | 71% | 0.711 | 64% | 0.638 | S | S | * | * | trans | 67.9 | 71.6 | 167.2 | -61 | -56 | 0 | 0 | 0 | 116.7 | L545 | N543-L545 HydrophobicContact CB-CD1 4.45Å; N543-L545 PolarHBondContact O-N 3.22Å; N543-L545 VanDerWaalsContact O-N 3.15Å | ||
| 544 | L | 41.4 | Very low | 45.9 | Very low | 141 Ų | 141 | 105.9 Ų | 105.9 | 74% | 0.738 | 63% | 0.628 | S | S | * | * | trans | -56.3 | 110.5 | 162.5 | -98.8 | 162.4 | 0 | 0 | 0 | 111.6 | ||||
| 545 | L | 56.1 | Low | 47 | Very low | 45 Ų | 45 | 101 Ų | 101 | 24% | 0.236 | 61% | 0.609 | C | S | . | * | trans | -127.6 | 97.6 | 179.7 | -66.4 | 165.3 | 0 | 0 | 0 | 109.6 | N543 V561 S562 R615 | N543-L545 HydrophobicContact CB-CD1 4.45Å; N543-L545 PolarHBondContact O-N 3.22Å; N543-L545 VanDerWaalsContact O-N 3.15Å; L545-V561 WeakPolarHBondContact CD2-O 3.31Å; L545-S562 VanDerWaalsContact CD2-C 3.47Å; L545-S562 WeakPolarHBondContact CD2-O 3.43Å; L545-R615 HydrophobicContact CD1-CB 4.35Å; L545-R615 HydrophobicContact CD1-CG 4.03Å | ||
| 546 | G | 61.9 | Low | 48.9 | Very low | 42 Ų | 42 | 96 Ų | 96 | 43% | 0.433 | 59% | 0.591 | S | S | . | * | trans | -69.8 | 136.8 | -176.1 | 0 | 0 | 0 | 0 | 0 | 113.4 | V560 V561 | G546-V560 WeakPolarHBondContact O-CA 3.36Å; G546-V561 PolarHBondContact O-N 3.32Å | ||
| 547 | V | 74.5 | Confident | 51.1 | Low | 67 Ų | 67 | 91.2 Ų | 91.2 | 41% | 0.406 | 56% | 0.563 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -122.5 | 122.2 | 166.7 | -179.6 | 0 | 0 | 0 | 0 | 108.2 | T558 F559 V560 | V547-T558 HydrophobicContact CG1-CG2 3.78Å; V547-F559 CarbonylContact C-O 3.32Å; V547-F559 VanDerWaalsContact CA-O 3.3Å; V547-F559 WeakPolarHBondContact CA-O 3.44Å; V547-V560 HydrophobicContact CG1-CG2 4.33Å; V547-V560 HydrophobicContact CG2-CG1 4.33Å; V547-V560 HydrophobicContact CG2-CG2 4.34Å |
| 548 | L | 75.2 | Confident | 53.7 | Low | 77 Ų | 77 | 86.6 Ų | 86.6 | 40% | 0.403 | 54% | 0.535 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.3 | 116.8 | -178.7 | 179.4 | 67.5 | 0 | 0 | 0 | 110.3 | M535 V550 T558 F559 | M535-L548 HydrophobicContact CE-CD1 4.28Å; M535-L548 HydrophobicContact CE-CD2 4.22Å; L548-V550 HydrophobicContact CD2-CG2 4.3Å; L548-V550 HydrophobicContact CG-CG2 4.21Å; L548-T558 WeakPolarHBondContact O-CA 3.4Å; L548-F559 HydrophobicContact CB-CB 4.38Å; L548-F559 PolarHBondContact N-O 2.72Å; L548-F559 PolarHBondContact O-N 2.62Å |
| 549 | N | 76 | Confident | 56.4 | Low | 110 Ų | 110 | 84.1 Ų | 84.1 | 59% | 0.588 | 51% | 0.511 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -92.9 | 122.8 | 174 | -65.9 | -39.4 | 0 | 0 | 0 | 109.9 | T558 | N549-T558 WeakPolarHBondContact OD1-CB 3.36Å; N549-T558 WeakPolarHBondContact OD1-CG2 3.42Å; N549-T558 PolarHBondContact OD1-OG1 3.07Å |
| 550 | V | 74.8 | Confident | 59.2 | Low | 58 Ų | 58 | 80.5 Ų | 80.5 | 35% | 0.352 | 48% | 0.481 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.7 | 106.6 | 176.5 | -176.9 | 0 | 0 | 0 | 0 | 108.9 | L548 T552 G556 A557 F559 | L548-V550 HydrophobicContact CD2-CG2 4.3Å; L548-V550 HydrophobicContact CG-CG2 4.21Å; V550-T552 HydrophobicContact CG1-CG2 4.48Å; V550-G556 CarbonylContact O-C 3.58Å; V550-G556 WeakPolarHBondContact O-CA 3.21Å; V550-A557 PolarHBondContact N-O 3.24Å; V550-A557 PolarHBondContact O-N 3.5Å; V550-A557 VanDerWaalsContact O-N 3.08Å; V550-F559 HydrophobicContact CG2-CD2 4.11Å; V550-F559 HydrophobicContact CG2-CE2 3.86Å |
| 551 | P | 58 | Low | 61.7 | Low | 119 Ų | 119 | 75.7 Ų | 75.7 | 77% | 0.773 | 46% | 0.457 | S | S | * | . | trans | -73.3 | 133.9 | 178.2 | 29.6 | -33.4 | 0 | 0 | 0 | 111.2 | ||||
| 552 | T | 55.8 | Low | 64.1 | Low | 75 Ų | 75 | 70.5 Ų | 70.5 | 46% | 0.46 | 42% | 0.421 | S | S | . | . | trans | -141.5 | 157.7 | 174.9 | 59.1 | 0 | 0 | 0 | 0 | 109.3 | V550 S554 G555 | V550-T552 HydrophobicContact CG1-CG2 4.48Å; T552-S554 PolarHBondContact O-N 3.44Å; T552-G555 PolarHBondContact OG1-O 3.24Å | ||
| 553 | N | 42.1 | Very low | 66.1 | Low | 183 Ų | 183 | 66.7 Ų | 66.7 | 98% | 0.979 | 41% | 0.411 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.1 | 3.2 | -172.8 | -69.8 | 1.4 | 0 | 0 | 0 | 115.2 | ||
| 554 | S | 45 | Very low | 67.9 | Low | 92 Ų | 92 | 63.3 Ų | 63.3 | 64% | 0.643 | 40% | 0.397 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -136.6 | 31.4 | -175.8 | 64.8 | 0 | 0 | 0 | 0 | 113.4 | T552 S574 | T552-S554 PolarHBondContact O-N 3.44Å; S554-S574 PolarHBondContact O-OG 2.9Å |
| 555 | G | 52.1 | Low | 69.6 | Low | 26 Ų | 26 | 59.3 Ų | 59.3 | 27% | 0.268 | 39% | 0.39 | S | S | . | . | trans | 98 | 107.3 | -175.9 | 0 | 0 | 0 | 0 | 0 | 111.6 | T552 | T552-G555 PolarHBondContact OG1-O 3.24Š| ||
| 556 | G | 65.1 | Low | 70.8 | Confident | 26 Ų | 26 | 62.5 Ų | 62.5 | 27% | 0.268 | 40% | 0.403 | S | S | . | . | trans | -65.9 | 146.6 | -178.2 | 0 | 0 | 0 | 0 | 0 | 113.4 | V550 | V550-G556 CarbonylContact O-C 3.58Å; V550-G556 WeakPolarHBondContact O-CA 3.21Å | ||
| 557 | A | 77.1 | Confident | 71.9 | Confident | 16 Ų | 16 | 64.5 Ų | 64.5 | 13% | 0.132 | 40% | 0.402 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93 | 145.1 | 178 | 0 | 0 | 0 | 0 | 0 | 111.4 | V550 F559 F570 E571 | V550-A557 PolarHBondContact N-O 3.24Å; V550-A557 PolarHBondContact O-N 3.5Å; V550-A557 VanDerWaalsContact O-N 3.08Å; A557-F559 HydrophobicContact CB-CE2 4.37Å; A557-F570 CarbonylContact C-O 3.55Å; A557-F570 WeakPolarHBondContact CA-O 3.41Å; A557-E571 HydrophobicContact CB-CG 4.38Å |
| 558 | T | 84.9 | Confident | 72.6 | Confident | 15 Ų | 15 | 61.3 Ų | 61.3 | 9% | 0.092 | 38% | 0.382 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.7 | 111.7 | 177.4 | -60.6 | 0 | 0 | 0 | 0 | 110 | V547 L548 N549 V560 F570 V611 | V547-T558 HydrophobicContact CG1-CG2 3.78Å; L548-T558 WeakPolarHBondContact O-CA 3.4Å; N549-T558 WeakPolarHBondContact OD1-CB 3.36Å; N549-T558 WeakPolarHBondContact OD1-CG2 3.42Å; N549-T558 PolarHBondContact OD1-OG1 3.07Å; T558-V560 HydrophobicContact CG2-CG2 4.01Å; T558-F570 PolarHBondContact N-O 3.16Å; T558-F570 WeakPolarHBondContact O-CB 3.16Å; T558-F570 PolarHBondContact O-N 3.25Å; T558-V611 HydrophobicContact CG2-CG1 3.5Å |
| 559 | F | 85.9 | Confident | 73.3 | Confident | 52 Ų | 52 | 60.4 Ų | 60.4 | 23% | 0.228 | 38% | 0.375 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.9 | 137.6 | 173.1 | -61.1 | -96 | 0 | 0 | 0 | 109.8 | V547 L548 V550 A557 M567 H568 K569 | V547-F559 CarbonylContact C-O 3.32Å; V547-F559 VanDerWaalsContact CA-O 3.3Å; V547-F559 WeakPolarHBondContact CA-O 3.44Å; L548-F559 HydrophobicContact CB-CB 4.38Å; L548-F559 PolarHBondContact N-O 2.72Å; L548-F559 PolarHBondContact O-N 2.62Å; V550-F559 HydrophobicContact CG2-CD2 4.11Å; V550-F559 HydrophobicContact CG2-CE2 3.86Å; A557-F559 HydrophobicContact CB-CE2 4.37Å; F559-M567 HydrophobicContact CB-SD 4.39Å; F559-M567 HydrophobicContact CD1-CE 3.97Å; F559-M567 HydrophobicContact CD1-CG 4.38Å; F559-M567 HydrophobicContact CD1-SD 3.7Å; F559-M567 HydrophobicContact CE1-CE 4.23Å; F559-M567 HydrophobicContact CE1-SD 4.48Å; F559-M567 HydrophobicContact CG-SD 4.46Å; F559-H568 WeakPolarHBondContact CA-O 3.45Å; F559-K569 HydrophobicContact CD1-CB 3.98Å; F559-K569 HydrophobicContact CD1-CG 3.92Å; F559-K569 HydrophobicContact CE1-CB 3.98Å; F559-K569 HydrophobicContact CE1-CD 3.79Å; F559-K569 HydrophobicContact CE1-CG 3.54Å; F559-K569 HydrophobicContact CZ-CD 4.11Å; F559-K569 HydrophobicContact CZ-CG 3.98Å |
| 560 | V | 86.6 | Confident | 73.8 | Confident | 0 Ų | 0 | 55.2 Ų | 55.2 | 0% | 0 | 35% | 0.347 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.2 | 119.4 | -178.6 | -178.2 | 0 | 0 | 0 | 0 | 109.4 | G546 V547 T558 H568 F570 V611 R615 | G546-V560 WeakPolarHBondContact O-CA 3.36Å; V547-V560 HydrophobicContact CG1-CG2 4.33Å; V547-V560 HydrophobicContact CG2-CG1 4.33Å; V547-V560 HydrophobicContact CG2-CG2 4.34Å; T558-V560 HydrophobicContact CG2-CG2 4.01Å; V560-H568 HydrophobicContact CB-CB 4.37Å; V560-H568 PolarHBondContact N-O 2.71Å; V560-H568 PolarHBondContact O-N 3.24Å; V560-F570 HydrophobicContact CB-CD2 4.44Å; V560-F570 HydrophobicContact CB-CE2 4.27Å; V560-F570 HydrophobicContact CG2-CD2 3.96Å; V560-F570 HydrophobicContact CG2-CE2 4.14Å; V560-V611 HydrophobicContact CG2-CG1 3.81Å; V560-R615 HydrophobicContact CG1-CB 3.72Å |
| 561 | V | 83.4 | Confident | 74.1 | Confident | 50 Ų | 50 | 55.9 Ų | 55.9 | 30% | 0.303 | 35% | 0.347 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.5 | 132.7 | 172.8 | -174.5 | 0 | 0 | 0 | 0 | 109.6 | L545 G546 R615 | L545-V561 WeakPolarHBondContact CD2-O 3.31Å; G546-V561 PolarHBondContact O-N 3.32Å; V561-R615 VanDerWaalsContact O-CB 3.29Å; V561-R615 WeakPolarHBondContact O-CB 3.44Å |
| 562 | S | 79.4 | Confident | 74.5 | Confident | 2 Ų | 2 | 52.5 Ų | 52.5 | 1% | 0.014 | 32% | 0.322 | C | S | . | . | trans | -84.7 | 160 | 175.3 | 68.2 | 0 | 0 | 0 | 0 | 112.7 | L545 S564 G565 F566 R615 L617 | L545-S562 VanDerWaalsContact CD2-C 3.47Å; L545-S562 WeakPolarHBondContact CD2-O 3.43Å; S562-S564 PolarHBondContact O-N 2.9Å; S562-S564 VanDerWaalsContact O-N 3.07Å; S562-S564 PolarHBondContact OG-OG 3.41Å; S562-G565 PolarHBondContact O-N 3.39Å; S562-F566 VanDerWaalsContact CB-O 3.31Å; S562-F566 WeakPolarHBondContact CB-O 3.21Å; S562-F566 PolarHBondContact N-O 3.16Å; S562-F566 PolarHBondContact OG-N 2.95Å; S562-F566 PolarHBondContact OG-O 3.32Å; S562-R615 CarbonylContact C-O 3.59Å; S562-R615 VanDerWaalsContact CA-O 3.28Å; S562-R615 WeakPolarHBondContact CA-O 3.27Å; S562-L617 WeakPolarHBondContact CB-O 3.46Å | ||
| 563 | A | 74.6 | Confident | 74.6 | Confident | 72 Ų | 72 | 51.3 Ų | 51.3 | 60% | 0.595 | 31% | 0.311 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.3 | -18.8 | 173.6 | 0 | 0 | 0 | 0 | 0 | 114 | R615 | A563-R615 PolarHBondContact N-O 3.29Š|
| 564 | S | 76.3 | Confident | 74.7 | Confident | 61 Ų | 61 | 46.4 Ų | 46.4 | 43% | 0.427 | 29% | 0.291 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -92.9 | 12.3 | 173.2 | 40.6 | 0 | 0 | 0 | 0 | 113.9 | S562 F566 | S562-S564 PolarHBondContact O-N 2.9Å; S562-S564 VanDerWaalsContact O-N 3.07Å; S562-S564 PolarHBondContact OG-OG 3.41Å; S564-F566 WeakPolarHBondContact O-CD2 3.49Å; S564-F566 PolarHBondContact O-N 2.89Å; S564-F566 VanDerWaalsContact O-N 3.07Å |
| 565 | G | 77.8 | Confident | 74.4 | Confident | 58 Ų | 58 | 48.9 Ų | 48.9 | 60% | 0.598 | 29% | 0.29 | S | S | * | . | S | Bend | trans | 78.2 | -22.2 | 179 | 0 | 0 | 0 | 0 | 0 | 115.4 | S562 | S562-G565 PolarHBondContact O-N 3.39Š|
| 566 | F | 80.5 | Confident | 73.8 | Confident | 112 Ų | 112 | 51.8 Ų | 51.8 | 49% | 0.491 | 30% | 0.296 | S | S | . | . | P | Polyproline II helix | trans | -64.1 | 137.2 | 176.2 | -55.2 | -78.6 | 0 | 0 | 0 | 111.8 | S562 S564 C619 | S562-F566 VanDerWaalsContact CB-O 3.31Å; S562-F566 WeakPolarHBondContact CB-O 3.21Å; S562-F566 PolarHBondContact N-O 3.16Å; S562-F566 PolarHBondContact OG-N 2.95Å; S562-F566 PolarHBondContact OG-O 3.32Å; S564-F566 WeakPolarHBondContact O-CD2 3.49Å; S564-F566 PolarHBondContact O-N 2.89Å; S564-F566 VanDerWaalsContact O-N 3.07Å; F566-C619 HydrophobicContact CB-CB 3.69Å; F566-C619 WeakPolarHBondContact CG-O 3.35Å |
| 567 | M | 83.9 | Confident | 72.2 | Confident | 84 Ų | 84 | 51 Ų | 51 | 41% | 0.414 | 29% | 0.287 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87 | 130.3 | 176.3 | -175 | 175.6 | 69.4 | 0 | 0 | 111 | F559 Y601 C619 | F559-M567 HydrophobicContact CB-SD 4.39Å; F559-M567 HydrophobicContact CD1-CE 3.97Å; F559-M567 HydrophobicContact CD1-CG 4.38Å; F559-M567 HydrophobicContact CD1-SD 3.7Å; F559-M567 HydrophobicContact CE1-CE 4.23Å; F559-M567 HydrophobicContact CE1-SD 4.48Å; F559-M567 HydrophobicContact CG-SD 4.46Å; M567-Y601 HydrophobicContact CE-CE2 4.28Å; M567-Y601 VanDerWaalsContact O-CD2 3.25Å; M567-Y601 WeakPolarHBondContact O-CD2 3.46Å; M567-C619 PolarHBondContact O-SG 3.44Å |
| 568 | H | 89.5 | Confident | 70.4 | Confident | 0 Ų | 0 | 54.6 Ų | 54.6 | 0% | 0 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.5 | 143 | 161.6 | -64.4 | -88.8 | 0 | 0 | 0 | 109.5 | F559 V560 F570 C599 C602 I604 L617 C619 | F559-H568 WeakPolarHBondContact CA-O 3.45Å; V560-H568 HydrophobicContact CB-CB 4.37Å; V560-H568 PolarHBondContact N-O 2.71Å; V560-H568 PolarHBondContact O-N 3.24Å; H568-F570 HydrophobicContact CB-CD2 3.98Å; H568-F570 HydrophobicContact CB-CE2 3.38Å; H568-F570 HydrophobicContact CB-CZ 4.06Å; H568-F570 AromaticContact CG-CE2 3.94Å; H568-C599 HydrophobicContact CB-CB 4.49Å; H568-C599 PolarHBondContact ND1-SG 3.03Å; H568-C602 VanDerWaalsContact CE1-SG 3.54Å; H568-C602 PolarHBondContact ND1-SG 3.01Å; H568-C602 VanDerWaalsContact ND1-SG 3.41Å; H568-I604 VanDerWaalsContact CE1-CD1 3.48Å; H568-I604 WeakPolarHBondContact CE1-CD1 3.23Å; H568-L617 PolarHBondContact NE2-O 3.02Å; H568-C619 VanDerWaalsContact CE1-CB 3.43Å; H568-C619 WeakPolarHBondContact CE1-CB 3.44Å |
| 569 | K | 90.2 | Very high | 68.1 | Low | 58 Ų | 58 | 56.2 Ų | 56.2 | 25% | 0.252 | 31% | 0.31 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.2 | 104.2 | 169.8 | 179.9 | -170.1 | -172.3 | -151.1 | 0 | 107.5 | F559 E571 C599 A600 Y601 | F559-K569 HydrophobicContact CD1-CB 3.98Å; F559-K569 HydrophobicContact CD1-CG 3.92Å; F559-K569 HydrophobicContact CE1-CB 3.98Å; F559-K569 HydrophobicContact CE1-CD 3.79Å; F559-K569 HydrophobicContact CE1-CG 3.54Å; F559-K569 HydrophobicContact CZ-CD 4.11Å; F559-K569 HydrophobicContact CZ-CG 3.98Å; K569-E571 WeakPolarHBondContact CD-OE1 3.32Å; K569-E571 WeakPolarHBondContact CE-OE1 3.48Å; K569-E571 HydrophobicContact CG-CG 4.46Å; K569-E571 IonicContact NZ-OE1 2.61Å; K569-E571 PolarHBondContact NZ-OE1 2.93Å; K569-C599 CarbonylContact O-C 3.51Å; K569-C599 WeakPolarHBondContact O-CA 3.34Å; K569-A600 HydrophobicContact CB-CB 4.39Å; K569-A600 HydrophobicContact CD-CB 4.33Å; K569-A600 PolarHBondContact O-N 2.84Å; K569-Y601 HydrophobicContact CB-CD2 4.28Å; K569-Y601 HydrophobicContact CB-CE2 3.62Å |
| 570 | F | 87.2 | Confident | 66.1 | Low | 0 Ų | 0 | 57.7 Ų | 57.7 | 0% | 0 | 32% | 0.323 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.5 | 132.6 | 176.2 | -69 | -86 | 0 | 0 | 0 | 110.5 | A557 T558 V560 H568 Q597 H598 C599 I604 V606 V611 S614 | A557-F570 CarbonylContact C-O 3.55Å; A557-F570 WeakPolarHBondContact CA-O 3.41Å; T558-F570 PolarHBondContact N-O 3.16Å; T558-F570 WeakPolarHBondContact O-CB 3.16Å; T558-F570 PolarHBondContact O-N 3.25Å; V560-F570 HydrophobicContact CB-CD2 4.44Å; V560-F570 HydrophobicContact CB-CE2 4.27Å; V560-F570 HydrophobicContact CG2-CD2 3.96Å; V560-F570 HydrophobicContact CG2-CE2 4.14Å; H568-F570 HydrophobicContact CB-CD2 3.98Å; H568-F570 HydrophobicContact CB-CE2 3.38Å; H568-F570 HydrophobicContact CB-CZ 4.06Å; H568-F570 AromaticContact CG-CE2 3.94Å; F570-Q597 HydrophobicContact CB-CB 4.32Å; F570-Q597 HydrophobicContact CD1-CB 4.25Å; F570-H598 WeakPolarHBondContact CA-O 2.99Å; F570-C599 HydrophobicContact CD1-CB 4.23Å; F570-C599 HydrophobicContact CE1-CB 3.79Å; F570-C599 HydrophobicContact CZ-CB 3.97Å; F570-I604 HydrophobicContact CE1-CG1 4.21Å; F570-I604 HydrophobicContact CZ-CD1 4.09Å; F570-I604 HydrophobicContact CZ-CG1 4.19Å; F570-V606 HydrophobicContact CD1-CG2 3.85Å; F570-V606 HydrophobicContact CE1-CG1 4.45Å; F570-V606 HydrophobicContact CE1-CG2 3.52Å; F570-V606 HydrophobicContact CZ-CG2 4.21Å; F570-V611 HydrophobicContact CB-CG1 4.12Å; F570-V611 HydrophobicContact CD2-CG1 3.75Å; F570-V611 HydrophobicContact CE2-CG1 4.38Å; F570-V611 HydrophobicContact CG-CG1 3.94Å; F570-S614 WeakPolarHBondContact CE2-OG 3.17Å; F570-S614 WeakPolarHBondContact CZ-OG 3.46Å |
| 571 | E | 80.9 | Confident | 64.2 | Low | 73 Ų | 73 | 59.7 Ų | 59.7 | 34% | 0.341 | 33% | 0.332 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116 | 147.8 | 176.8 | -64.6 | -177.6 | -162.8 | 0 | 0 | 109.7 | A557 K569 E573 H598 | A557-E571 HydrophobicContact CB-CG 4.38Å; K569-E571 WeakPolarHBondContact CD-OE1 3.32Å; K569-E571 WeakPolarHBondContact CE-OE1 3.48Å; K569-E571 HydrophobicContact CG-CG 4.46Å; K569-E571 IonicContact NZ-OE1 2.61Å; K569-E571 PolarHBondContact NZ-OE1 2.93Å; E571-E573 PolarHBondContact O-N 3.03Å; E571-H598 PolarHBondContact N-O 3.4Å |
| 572 | L | 67.2 | Low | 62.7 | Low | 48 Ų | 48 | 58.7 Ų | 58.7 | 25% | 0.251 | 33% | 0.332 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.6 | 105.7 | 177.1 | -170.3 | 80.8 | 0 | 0 | 0 | 108.9 | S574 Q597 K608 | L572-S574 PolarHBondContact O-N 2.88Å; L572-Q597 HydrophobicContact CD1-CG 4.02Å; L572-K608 HydrophobicContact CD1-CD 4.49Å |
| 573 | E | 57.2 | Low | 62 | Low | 50 Ų | 50 | 60.5 Ų | 60.5 | 23% | 0.234 | 34% | 0.343 | C | S | . | . | trans | -64.6 | 94.5 | 174.6 | -153.7 | 134.6 | -127.1 | 0 | 0 | 108.5 | E571 L596 H598 | E571-E573 PolarHBondContact O-N 3.03Å; E573-L596 WeakPolarHBondContact OE2-CD1 3.46Å; E573-H598 IonicContact OE1-CE1 2.97Å; E573-H598 PolarHBondContact OE1-CE1 3.22Å; E573-H598 IonicContact OE1-ND1 3.04Å; E573-H598 PolarHBondContact OE1-ND1 3.39Å; E573-H598 IonicContact OE2-CE1 3.7Å; E573-H598 IonicContact OE2-CG 3.99Å; E573-H598 IonicContact OE2-ND1 2.89Å; E573-H598 PolarHBondContact OE2-ND1 3.28Å | ||
| 574 | S | 43.5 | Very low | 62.2 | Low | 80 Ų | 80 | 60 Ų | 60 | 56% | 0.559 | 33% | 0.334 | S | S | * | . | trans | -103.5 | 14.1 | -165.9 | 57.4 | 0 | 0 | 0 | 0 | 113.7 | S554 L572 | S554-S574 PolarHBondContact O-OG 2.9Å; L572-S574 PolarHBondContact O-N 2.88Å | ||
| 575 | K | 38.7 | Very low | 62.6 | Low | 144 Ų | 144 | 57.1 Ų | 57.1 | 63% | 0.626 | 31% | 0.313 | S | S | * | . | S | Bend | trans | -129.9 | 161.5 | 175.7 | -67.2 | -175.1 | 178 | -178.3 | 0 | 110.5 | E71 G577 | E71-K575 WeakPolarHBondContact OE1-CD 3.25Å; K575-G577 PolarHBondContact O-N 3.5Å |
| 576 | F | 40 | Very low | 63 | Low | 87 Ų | 87 | 56.5 Ų | 56.5 | 38% | 0.382 | 30% | 0.302 | S | S | . | . | S | Bend | trans | -79.6 | 60.1 | 173 | -84 | -112.2 | 0 | 0 | 0 | 110.5 | L78 F579 | L78-F576 HydrophobicContact CD1-CB 3.98Å; L78-F576 HydrophobicContact CD1-CD1 4.33Å; L78-F576 HydrophobicContact CD1-CG 4.17Å; F576-F579 HydrophobicContact CB-CE2 3.96Å; F576-F579 AromaticContact CD1-CE2 3.69Å; F576-F579 HydrophobicContact CD1-CE2 3.69Å; F576-F579 AromaticContact CD1-CZ 3.58Å; F576-F579 HydrophobicContact CD1-CZ 3.58Å; F576-F579 HydrophobicContact CE1-CZ 4.07Å; F576-F579 HydrophobicContact CG-CE2 4.17Å; F576-F579 HydrophobicContact CG-CZ 4.3Å |
| 577 | G | 32.3 | Very low | 63.3 | Low | 9 Ų | 9 | 53.6 Ų | 53.6 | 9% | 0.093 | 29% | 0.294 | C | S | . | . | trans | -130.3 | 161.8 | 179.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | K575 F579 | K575-G577 PolarHBondContact O-N 3.5Å; G577-F579 VanDerWaalsContact C-N 3.29Å; G577-F579 PolarHBondContact O-N 3.35Å | ||
| 578 | D | 38.1 | Very low | 63.4 | Low | 92 Ų | 92 | 52 Ų | 52 | 49% | 0.492 | 29% | 0.29 | S | S | . | . | S | Bend | trans | 48.4 | 43.2 | -178.3 | -78.9 | 10 | 0 | 0 | 0 | 115.4 | V580 K605 | D578-V580 PolarHBondContact O-N 2.85Å; D578-V580 VanDerWaalsContact O-N 3.13Å; D578-K605 PolarHBondContact O-NZ 2.94Å |
| 579 | F | 37.3 | Very low | 63 | Low | 48 Ų | 48 | 58 Ų | 58 | 21% | 0.211 | 32% | 0.322 | C | S | . | . | trans | -58.5 | 113.2 | 170.7 | -86.7 | -78.5 | 0 | 0 | 0 | 111.8 | C67 F576 G577 K581 | C67-F579 HydrophobicContact CB-CD1 4.16Å; C67-F579 HydrophobicContact CB-CE1 3.8Å; C67-F579 HydrophobicContact CB-CZ 4.02Å; C67-F579 VanDerWaalsContact O-CB 3.24Å; C67-F579 WeakPolarHBondContact O-CB 3.48Å; C67-F579 WeakPolarHBondContact O-CD1 3.31Å; C67-F579 WeakPolarHBondContact O-CG 3.44Å; F576-F579 HydrophobicContact CB-CE2 3.96Å; F576-F579 AromaticContact CD1-CE2 3.69Å; F576-F579 HydrophobicContact CD1-CE2 3.69Å; F576-F579 AromaticContact CD1-CZ 3.58Å; F576-F579 HydrophobicContact CD1-CZ 3.58Å; F576-F579 HydrophobicContact CE1-CZ 4.07Å; F576-F579 HydrophobicContact CG-CE2 4.17Å; F576-F579 HydrophobicContact CG-CZ 4.3Å; G577-F579 VanDerWaalsContact C-N 3.29Å; G577-F579 PolarHBondContact O-N 3.35Å; F579-K581 HydrophobicContact CD1-CD 3.87Å; F579-K581 HydrophobicContact CD1-CG 4.11Å; F579-K581 HydrophobicContact CE1-CD 3.98Å | ||
| 580 | V | 42.7 | Very low | 62.3 | Low | 84 Ų | 84 | 60.5 Ų | 60.5 | 51% | 0.509 | 34% | 0.339 | S | S | . | . | trans | -131 | 71.2 | 158.1 | -170.4 | 0 | 0 | 0 | 0 | 107.6 | D578 T583 | D578-V580 PolarHBondContact O-N 2.85Å; D578-V580 VanDerWaalsContact O-N 3.13Å; V580-T583 WeakPolarHBondContact CG1-OG1 3.47Å; V580-T583 PolarHBondContact O-N 2.72Å; V580-T583 PolarHBondContact O-OG1 2.88Å | ||
| 581 | K | 46.6 | Very low | 61.4 | Low | 41 Ų | 41 | 66 Ų | 66 | 18% | 0.178 | 36% | 0.36 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -61.6 | 148.4 | 170.5 | -88.3 | 168.9 | 161.3 | -177.1 | 0 | 109.5 | C67 E152 F579 F594 | C67-K581 HydrophobicContact CB-CD 4.1Å; C67-K581 PolarHBondContact SG-NZ 2.69Å; C67-K581 VanDerWaalsContact SG-NZ 3.35Å; E152-K581 HydrophobicContact CG-CD 4.4Å; E152-K581 IonicContact OE1-NZ 2.64Å; E152-K581 PolarHBondContact OE1-NZ 2.98Å; E152-K581 VanDerWaalsContact OE2-CD 3.22Å; E152-K581 WeakPolarHBondContact OE2-CD 3.3Å; E152-K581 WeakPolarHBondContact OE2-CE 3.3Å; E152-K581 IonicContact OE2-NZ 2.83Å; E152-K581 PolarHBondContact OE2-NZ 3.4Å; F579-K581 HydrophobicContact CD1-CD 3.87Å; F579-K581 HydrophobicContact CD1-CG 4.11Å; F579-K581 HydrophobicContact CE1-CD 3.98Å; K581-F594 VanDerWaalsContact NZ-CE1 3.27Å |
| 582 | G | 53.7 | Low | 60.8 | Low | 29 Ų | 29 | 63.1 Ų | 63.1 | 30% | 0.299 | 35% | 0.346 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 92.7 | -19.8 | -170.1 | 0 | 0 | 0 | 0 | 0 | 115.2 | P584 | G582-P584 WeakPolarHBondContact O-CD 3.01Š|
| 583 | T | 64.4 | Low | 60.2 | Low | 40 Ų | 40 | 68.6 Ų | 68.6 | 25% | 0.245 | 36% | 0.363 | C | S | . | . | P | Polyproline II helix | trans | -57.3 | 124 | 173 | -48.8 | 0 | 0 | 0 | 0 | 110.4 | V580 M592 K605 | V580-T583 WeakPolarHBondContact CG1-OG1 3.47Å; V580-T583 PolarHBondContact O-N 2.72Å; V580-T583 PolarHBondContact O-OG1 2.88Å; T583-M592 WeakPolarHBondContact O-CG 3.42Å; T583-K605 HydrophobicContact CG2-CB 4.43Å |
| 584 | P | 78.9 | Confident | 59.7 | Low | 62 Ų | 62 | 70.8 Ų | 70.8 | 40% | 0.403 | 37% | 0.372 | S | S | . | . | B | Isolated β-bridge | trans | -72.2 | 146.2 | 173.3 | 29.7 | -33.9 | 0 | 0 | 0 | 110.6 | G582 A586 N589 | G582-P584 WeakPolarHBondContact O-CD 3.01Å; P584-A586 PolarHBondContact O-N 2.65Å; P584-N589 WeakPolarHBondContact CB-O 2.96Å |
| 585 | C | 85 | Confident | 60.3 | Low | 0 Ų | 0 | 75.1 Ų | 75.1 | 0% | 0 | 38% | 0.376 | C | S | . | . | P | Polyproline II helix | trans | -64.5 | 122.9 | 173.7 | 174.2 | 0 | 0 | 0 | 0 | 110.5 | V587 C588 N589 N590 M592 H607 | C585-V587 PolarHBondContact O-N 2.71Å; C585-C588 VanDerWaalsContact CB-SG 3.58Å; C585-C588 PolarHBondContact O-N 3.39Å; C585-N589 VanDerWaalsContact O-CA 3.29Å; C585-N589 WeakPolarHBondContact O-CA 3.45Å; C585-N589 PolarHBondContact O-N 3.47Å; C585-N590 WeakPolarHBondContact CB-O 3.03Å; C585-N590 PolarHBondContact N-O 2.86Å; C585-M592 HydrophobicContact CB-CG 3.94Å; C585-M592 HydrophobicContact CB-SD 3.68Å; C585-H607 WeakPolarHBondContact CB-CE1 3.34Å; C585-H607 VanDerWaalsContact CB-ND1 3.34Å; C585-H607 WeakPolarHBondContact CB-ND1 3.42Å; C585-H607 PolarHBondContact SG-N 3.07Å; C585-H607 PolarHBondContact SG-ND1 3.43Å |
| 586 | A | 84.9 | Confident | 61.8 | Low | 45 Ų | 45 | 69.8 Ų | 69.8 | 37% | 0.372 | 35% | 0.354 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61.6 | -6.2 | -175.4 | 0 | 0 | 0 | 0 | 0 | 115.4 | P584 I604 K605 V606 L617 | P584-A586 PolarHBondContact O-N 2.65Å; A586-I604 HydrophobicContact CB-CB 4.31Å; A586-K605 PolarHBondContact N-O 2.84Å; A586-K605 VanDerWaalsContact N-O 3.1Å; A586-V606 HydrophobicContact CB-CG1 4.22Å; A586-L617 HydrophobicContact CB-CD1 3.83Å; A586-L617 WeakPolarHBondContact O-CD1 3.16Å |
| 587 | V | 86.7 | Confident | 63.5 | Low | 52 Ų | 52 | 65.9 Ų | 65.9 | 32% | 0.315 | 34% | 0.338 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -104.5 | -48.5 | 179.1 | 166.4 | 0 | 0 | 0 | 0 | 112.8 | C585 V606 C610 H613 L617 | C585-V587 PolarHBondContact O-N 2.71Å; V587-V606 HydrophobicContact CG2-CG1 3.88Å; V587-C610 HydrophobicContact CB-CB 3.91Å; V587-C610 HydrophobicContact CG1-CB 3.98Å; V587-C610 HydrophobicContact CG2-CB 4.26Å; V587-H613 HydrophobicContact CG1-CB 3.5Å; V587-H613 HydrophobicContact CG2-CB 4.35Å; V587-L617 HydrophobicContact CG2-CD1 4.11Å |
| 588 | C | 86.7 | Confident | 66 | Low | 49 Ų | 49 | 66.4 Ų | 66.4 | 33% | 0.331 | 34% | 0.337 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -112.9 | 0.2 | -171.9 | 68.4 | 0 | 0 | 0 | 0 | 113.7 | C585 N590 H607 | C585-C588 VanDerWaalsContact CB-SG 3.58Å; C585-C588 PolarHBondContact O-N 3.39Å; C588-N590 PolarHBondContact O-N 2.7Å; C588-H607 VanDerWaalsContact SG-CE1 3.5Å; C588-H607 PolarHBondContact SG-ND1 3.02Å; C588-H607 VanDerWaalsContact SG-ND1 3.4Å |
| 589 | N | 81.3 | Confident | 68.4 | Low | 126 Ų | 126 | 62 Ų | 62 | 67% | 0.674 | 31% | 0.314 | S | S | * | . | trans | 59.3 | -4.8 | -178.5 | -149.5 | 38.9 | 0 | 0 | 0 | 116.7 | P584 C585 | P584-N589 WeakPolarHBondContact CB-O 2.96Å; C585-N589 VanDerWaalsContact O-CA 3.29Å; C585-N589 WeakPolarHBondContact O-CA 3.45Å; C585-N589 PolarHBondContact O-N 3.47Å | ||
| 590 | N | 76 | Confident | 70.7 | Confident | 112 Ų | 112 | 61.4 Ų | 61.4 | 60% | 0.599 | 32% | 0.318 | S | S | * | . | trans | -70.2 | 148.1 | 176.5 | -68.5 | -24.4 | 0 | 0 | 0 | 112 | C585 C588 | C585-N590 WeakPolarHBondContact CB-O 3.03Å; C585-N590 PolarHBondContact N-O 2.86Å; C588-N590 PolarHBondContact O-N 2.7Å | ||
| 591 | R | 68.1 | Low | 72.7 | Confident | 116 Ų | 116 | 61.5 Ų | 61.5 | 44% | 0.438 | 31% | 0.31 | S | S | . | . | B | Isolated β-bridge | trans | -57.5 | 144.1 | 177.3 | -155.6 | 175 | -169.5 | 120.6 | 4.8 | 110.4 | E152 D154 H607 | E152-R591 PolarHBondContact O-NE 3.3Å; E152-R591 PolarHBondContact O-NH2 2.87Å; D154-R591 IonicContact OD2-NH2 2.71Å; D154-R591 PolarHBondContact OD2-NH2 3.07Å; D154-R591 VanDerWaalsContact OD2-NH2 3.15Å; R591-H607 PolarHBondContact O-NE2 3.22Å; R591-H607 VanDerWaalsContact O-NE2 3.13Å |
| 592 | M | 68.5 | Low | 74.5 | Confident | 12 Ų | 12 | 60.6 Ų | 60.6 | 6% | 0.059 | 31% | 0.309 | C | S | . | . | trans | -95.2 | 111.3 | -175.3 | -66.3 | -114.1 | -82.6 | 0 | 0 | 111.2 | T583 C585 L596 K605 V606 H607 | T583-M592 WeakPolarHBondContact O-CG 3.42Å; C585-M592 HydrophobicContact CB-CG 3.94Å; C585-M592 HydrophobicContact CB-SD 3.68Å; M592-L596 HydrophobicContact CE-CB 3.52Å; M592-L596 HydrophobicContact CE-CD2 4.08Å; M592-L596 HydrophobicContact CE-CG 4.29Å; M592-L596 HydrophobicContact SD-CB 4.22Å; M592-K605 HydrophobicContact CE-CB 3.41Å; M592-K605 VanDerWaalsContact CE-CB 3.41Å; M592-V606 VanDerWaalsContact CE-N 3.34Å; M592-H607 HydrophobicContact SD-CB 4.42Å; M592-H607 VanDerWaalsContact SD-CD2 3.59Å; M592-H607 PolarHBondContact SD-N 3.24Å | ||
| 593 | R | 54.3 | Low | 76 | Confident | 163 Ų | 163 | 66.4 Ų | 66.4 | 62% | 0.615 | 32% | 0.321 | S | S | * | . | trans | -82.4 | 173.3 | 166.4 | -75.2 | -175.1 | 171.4 | 157.1 | 0.4 | 110.5 | D149 | D149-R593 IonicContact OD1-CZ 3.71Å; D149-R593 VanDerWaalsContact OD1-CZ 3.26Å; D149-R593 IonicContact OD1-NE 2.66Å; D149-R593 PolarHBondContact OD1-NE 3.28Å; D149-R593 IonicContact OD1-NH2 3.79Å; D149-R593 PolarHBondContact OD1-NH2 3.24Å; D149-R593 IonicContact OD2-CZ 3.26Å; D149-R593 IonicContact OD2-NE 3.04Å; D149-R593 IonicContact OD2-NH2 2.73Å; D149-R593 PolarHBondContact OD2-NH2 3.05Å | ||
| 594 | F | 46.5 | Very low | 76.9 | Confident | 95 Ų | 95 | 66.3 Ų | 66.3 | 42% | 0.417 | 32% | 0.319 | S | S | . | . | S | Bend | trans | -43.9 | 144.9 | -171.5 | -61.7 | -89.1 | 0 | 0 | 0 | 114.9 | K581 | K581-F594 VanDerWaalsContact NZ-CE1 3.27Š|
| 595 | R | 55.3 | Low | 77.3 | Confident | 172 Ų | 172 | 65 Ų | 65 | 65% | 0.649 | 31% | 0.307 | S | S | * | . | S | Bend | trans | 68.6 | 62.7 | -178.5 | -46.3 | 178.8 | -163.4 | 175.4 | 5.7 | 113.9 | D114 | D114-R595 IonicContact OD2-CZ 3.79Å; D114-R595 IonicContact OD2-NH2 2.66Å; D114-R595 PolarHBondContact OD2-NH2 2.99Å |
| 596 | L | 69.7 | Low | 77.3 | Confident | 31 Ų | 31 | 65 Ų | 65 | 16% | 0.162 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.6 | 165.6 | 167.1 | 65.2 | 84.8 | 0 | 0 | 0 | 112.2 | E573 M592 K605 | E573-L596 WeakPolarHBondContact OE2-CD1 3.46Å; M592-L596 HydrophobicContact CE-CB 3.52Å; M592-L596 HydrophobicContact CE-CD2 4.08Å; M592-L596 HydrophobicContact CE-CG 4.29Å; M592-L596 HydrophobicContact SD-CB 4.22Å; L596-K605 HydrophobicContact CD1-CD 4.08Å; L596-K605 HydrophobicContact CD1-CG 4.5Å; L596-K605 HydrophobicContact CD2-CD 4.16Å |
| 597 | Q | 76.4 | Confident | 77.3 | Confident | 6 Ų | 6 | 64.7 Ų | 64.7 | 3% | 0.028 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.3 | 145.1 | 164.6 | -67.9 | -163.5 | -11.8 | 0 | 0 | 109.7 | F570 L572 K605 V606 V611 | F570-Q597 HydrophobicContact CB-CB 4.32Å; F570-Q597 HydrophobicContact CD1-CB 4.25Å; L572-Q597 HydrophobicContact CD1-CG 4.02Å; Q597-K605 WeakPolarHBondContact O-CA 3.43Å; Q597-V606 PolarHBondContact N-O 3.37Å; Q597-V606 PolarHBondContact O-N 3.33Å; Q597-V606 VanDerWaalsContact O-O 3.1Å; Q597-V611 HydrophobicContact CB-CG2 4.23Å; Q597-V611 HydrophobicContact CG-CG2 4.39Å |
| 598 | H | 84.9 | Confident | 77 | Confident | 19 Ų | 19 | 69.1 Ų | 69.1 | 9% | 0.088 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.9 | 148.6 | 175.7 | 75 | -112.1 | 0 | 0 | 0 | 111.2 | F570 E571 E573 R603 I604 K605 | F570-H598 WeakPolarHBondContact CA-O 2.99Å; E571-H598 PolarHBondContact N-O 3.4Å; E573-H598 IonicContact OE1-CE1 2.97Å; E573-H598 PolarHBondContact OE1-CE1 3.22Å; E573-H598 IonicContact OE1-ND1 3.04Å; E573-H598 PolarHBondContact OE1-ND1 3.39Å; E573-H598 IonicContact OE2-CE1 3.7Å; E573-H598 IonicContact OE2-CG 3.99Å; E573-H598 IonicContact OE2-ND1 2.89Å; E573-H598 PolarHBondContact OE2-ND1 3.28Å; H598-R603 PolarHBondContact NE2-NH1 3Å; H598-R603 VanDerWaalsContact NE2-NH1 3.14Å; H598-I604 CarbonylContact C-O 3.4Å; H598-I604 VanDerWaalsContact CA-O 3.29Å; H598-I604 WeakPolarHBondContact CA-O 3.48Å; H598-K605 HydrophobicContact CB-CG 4.06Å |
| 599 | C | 89.2 | Confident | 76.8 | Confident | 0 Ų | 0 | 71 Ų | 71 | 0% | 0 | 33% | 0.327 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.9 | 123.5 | 173.6 | 178.9 | 0 | 0 | 0 | 0 | 110.2 | H568 K569 F570 Y601 C602 R603 I604 | H568-C599 HydrophobicContact CB-CB 4.49Å; H568-C599 PolarHBondContact ND1-SG 3.03Å; K569-C599 CarbonylContact O-C 3.51Å; K569-C599 WeakPolarHBondContact O-CA 3.34Å; F570-C599 HydrophobicContact CD1-CB 4.23Å; F570-C599 HydrophobicContact CE1-CB 3.79Å; F570-C599 HydrophobicContact CZ-CB 3.97Å; C599-Y601 PolarHBondContact O-N 3.1Å; C599-Y601 VanDerWaalsContact O-N 3.13Å; C599-C602 VanDerWaalsContact SG-SG 3.6Å; C599-R603 WeakPolarHBondContact O-CA 3.42Å; C599-R603 PolarHBondContact O-N 3.33Å; C599-I604 HydrophobicContact CB-CG1 3.81Å; C599-I604 PolarHBondContact N-O 2.95Å |
| 600 | A | 84.9 | Confident | 77.1 | Confident | 36 Ų | 36 | 65.7 Ų | 65.7 | 30% | 0.298 | 30% | 0.299 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61.1 | -21.3 | -179.2 | 0 | 0 | 0 | 0 | 0 | 114.1 | K569 | K569-A600 HydrophobicContact CB-CB 4.39Å; K569-A600 HydrophobicContact CD-CB 4.33Å; K569-A600 PolarHBondContact O-N 2.84Å |
| 601 | Y | 84 | Confident | 77.6 | Confident | 85 Ų | 85 | 60.6 Ų | 60.6 | 33% | 0.333 | 27% | 0.272 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -93.4 | -60.1 | -179.3 | -52.8 | -56.2 | 0 | 0 | 0 | 112.7 | M567 K569 C599 P622 | M567-Y601 HydrophobicContact CE-CE2 4.28Å; M567-Y601 VanDerWaalsContact O-CD2 3.25Å; M567-Y601 WeakPolarHBondContact O-CD2 3.46Å; K569-Y601 HydrophobicContact CB-CD2 4.28Å; K569-Y601 HydrophobicContact CB-CE2 3.62Å; C599-Y601 PolarHBondContact O-N 3.1Å; C599-Y601 VanDerWaalsContact O-N 3.13Å; Y601-P622 HydrophobicContact CD1-CG 4.13Å |
| 602 | C | 85.5 | Confident | 78.3 | Confident | 23 Ų | 23 | 57.3 Ų | 57.3 | 16% | 0.155 | 27% | 0.267 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -100 | 5.7 | -174.9 | 65.1 | 0 | 0 | 0 | 0 | 114.5 | H568 C599 I604 T620 | H568-C602 VanDerWaalsContact CE1-SG 3.54Å; H568-C602 PolarHBondContact ND1-SG 3.01Å; H568-C602 VanDerWaalsContact ND1-SG 3.41Å; C599-C602 VanDerWaalsContact SG-SG 3.6Å; C602-I604 PolarHBondContact O-N 3.19Å; C602-T620 WeakPolarHBondContact CB-OG1 3.41Å |
| 603 | R | 83.9 | Confident | 79.1 | Confident | 150 Ų | 150 | 60.8 Ų | 60.8 | 57% | 0.566 | 28% | 0.283 | S | S | * | . | trans | 55.5 | 9.6 | 176 | -62.7 | -62.6 | -163.1 | 142.1 | 15.3 | 117 | H598 C599 K605 | H598-R603 PolarHBondContact NE2-NH1 3Å; H598-R603 VanDerWaalsContact NE2-NH1 3.14Å; C599-R603 WeakPolarHBondContact O-CA 3.42Å; C599-R603 PolarHBondContact O-N 3.33Å; R603-K605 PolarHBondContact O-N 2.87Å | ||
| 604 | I | 84.8 | Confident | 80.5 | Confident | 38 Ų | 38 | 53 Ų | 53 | 20% | 0.195 | 25% | 0.253 | C | S | . | . | trans | -57.2 | 132 | 172.7 | 65.1 | 173.7 | 0 | 0 | 0 | 110.5 | H568 F570 A586 H598 C599 C602 L617 | H568-I604 VanDerWaalsContact CE1-CD1 3.48Å; H568-I604 WeakPolarHBondContact CE1-CD1 3.23Å; F570-I604 HydrophobicContact CE1-CG1 4.21Å; F570-I604 HydrophobicContact CZ-CD1 4.09Å; F570-I604 HydrophobicContact CZ-CG1 4.19Å; A586-I604 HydrophobicContact CB-CB 4.31Å; H598-I604 CarbonylContact C-O 3.4Å; H598-I604 VanDerWaalsContact CA-O 3.29Å; H598-I604 WeakPolarHBondContact CA-O 3.48Å; C599-I604 HydrophobicContact CB-CG1 3.81Å; C599-I604 PolarHBondContact N-O 2.95Å; C602-I604 PolarHBondContact O-N 3.19Å; I604-L617 HydrophobicContact CD1-CB 4.17Å; I604-L617 HydrophobicContact CD1-CD1 3.66Å | ||
| 605 | K | 86.1 | Confident | 82.2 | Confident | 36 Ų | 36 | 52.1 Ų | 52.1 | 16% | 0.157 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.5 | 131.8 | 179.2 | -54 | -162.6 | 176.7 | -161.7 | 0 | 110 | D578 T583 A586 M592 L596 Q597 H598 R603 | D578-K605 PolarHBondContact O-NZ 2.94Å; T583-K605 HydrophobicContact CG2-CB 4.43Å; A586-K605 PolarHBondContact N-O 2.84Å; A586-K605 VanDerWaalsContact N-O 3.1Å; M592-K605 HydrophobicContact CE-CB 3.41Å; M592-K605 VanDerWaalsContact CE-CB 3.41Å; L596-K605 HydrophobicContact CD1-CD 4.08Å; L596-K605 HydrophobicContact CD1-CG 4.5Å; L596-K605 HydrophobicContact CD2-CD 4.16Å; Q597-K605 WeakPolarHBondContact O-CA 3.43Å; H598-K605 HydrophobicContact CB-CG 4.06Å; R603-K605 PolarHBondContact O-N 2.87Å |
| 606 | V | 85.6 | Confident | 83.5 | Confident | 0 Ų | 0 | 53.2 Ų | 53.2 | 0% | 0 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.8 | 154.5 | 178.6 | -60.9 | 0 | 0 | 0 | 0 | 112 | F570 A586 V587 M592 Q597 C610 V611 | F570-V606 HydrophobicContact CD1-CG2 3.85Å; F570-V606 HydrophobicContact CE1-CG1 4.45Å; F570-V606 HydrophobicContact CE1-CG2 3.52Å; F570-V606 HydrophobicContact CZ-CG2 4.21Å; A586-V606 HydrophobicContact CB-CG1 4.22Å; V587-V606 HydrophobicContact CG2-CG1 3.88Å; M592-V606 VanDerWaalsContact CE-N 3.34Å; Q597-V606 PolarHBondContact N-O 3.37Å; Q597-V606 PolarHBondContact O-N 3.33Å; Q597-V606 VanDerWaalsContact O-O 3.1Å; V606-C610 HydrophobicContact CB-CB 4.13Å; V606-V611 HydrophobicContact CG2-CG2 3.87Å |
| 607 | H | 84.9 | Confident | 84 | Confident | 38 Ų | 38 | 53.9 Ų | 53.9 | 18% | 0.176 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -65 | 151.2 | 169.4 | -54.2 | 107.3 | 0 | 0 | 0 | 109.9 | C585 C588 R591 M592 S609 C610 V611 | C585-H607 WeakPolarHBondContact CB-CE1 3.34Å; C585-H607 VanDerWaalsContact CB-ND1 3.34Å; C585-H607 WeakPolarHBondContact CB-ND1 3.42Å; C585-H607 PolarHBondContact SG-N 3.07Å; C585-H607 PolarHBondContact SG-ND1 3.43Å; C588-H607 VanDerWaalsContact SG-CE1 3.5Å; C588-H607 PolarHBondContact SG-ND1 3.02Å; C588-H607 VanDerWaalsContact SG-ND1 3.4Å; R591-H607 PolarHBondContact O-NE2 3.22Å; R591-H607 VanDerWaalsContact O-NE2 3.13Å; M592-H607 HydrophobicContact SD-CB 4.42Å; M592-H607 VanDerWaalsContact SD-CD2 3.59Å; M592-H607 PolarHBondContact SD-N 3.24Å; H607-S609 PolarHBondContact O-N 3.46Å; H607-S609 VanDerWaalsContact O-N 3.07Å; H607-C610 HydrophobicContact CB-CB 4.23Å; H607-C610 WeakPolarHBondContact O-CA 3.29Å; H607-C610 WeakPolarHBondContact O-CB 3.43Å; H607-C610 PolarHBondContact O-N 3.49Å; H607-V611 PolarHBondContact O-N 3.15Å |
| 608 | K | 80.7 | Confident | 84.2 | Confident | 144 Ų | 144 | 58.1 Ų | 58.1 | 63% | 0.626 | 28% | 0.283 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -51.5 | -32.9 | 175.2 | -174.4 | 177.6 | 177.7 | -178 | 0 | 113.9 | L572 V611 | L572-K608 HydrophobicContact CD1-CD 4.49Å; K608-V611 WeakPolarHBondContact O-CG2 3.41Å |
| 609 | S | 81.6 | Confident | 84.2 | Confident | 90 Ų | 90 | 57.4 Ų | 57.4 | 63% | 0.629 | 28% | 0.28 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76.5 | -23 | 174.7 | 51.2 | 0 | 0 | 0 | 0 | 114.4 | H607 | H607-S609 PolarHBondContact O-N 3.46Å; H607-S609 VanDerWaalsContact O-N 3.07Å |
| 610 | C | 87.9 | Confident | 83.2 | Confident | 13 Ų | 13 | 62.5 Ų | 62.5 | 9% | 0.088 | 31% | 0.311 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -89.3 | -10.6 | -178.4 | -70.7 | 0 | 0 | 0 | 0 | 113.5 | V587 V606 H607 S612 H613 S614 | V587-C610 HydrophobicContact CB-CB 3.91Å; V587-C610 HydrophobicContact CG1-CB 3.98Å; V587-C610 HydrophobicContact CG2-CB 4.26Å; V606-C610 HydrophobicContact CB-CB 4.13Å; H607-C610 HydrophobicContact CB-CB 4.23Å; H607-C610 WeakPolarHBondContact O-CA 3.29Å; H607-C610 WeakPolarHBondContact O-CB 3.43Å; H607-C610 PolarHBondContact O-N 3.49Å; C610-S612 VanDerWaalsContact C-N 3.32Å; C610-S612 PolarHBondContact O-N 3.2Å; C610-H613 WeakPolarHBondContact O-CA 3.37Å; C610-H613 WeakPolarHBondContact O-CB 3.31Å; C610-H613 PolarHBondContact O-N 2.93Å; C610-S614 PolarHBondContact O-N 3.25Å; C610-S614 VanDerWaalsContact O-N 3.15Å |
| 611 | V | 86.9 | Confident | 82.1 | Confident | 6 Ų | 6 | 62.8 Ų | 62.8 | 4% | 0.036 | 32% | 0.318 | C | S | . | . | G | 310 helix | trans | -52.3 | -47.2 | -179 | 179.4 | 0 | 0 | 0 | 0 | 112.1 | T558 V560 F570 Q597 V606 H607 K608 H613 S614 | T558-V611 HydrophobicContact CG2-CG1 3.5Å; V560-V611 HydrophobicContact CG2-CG1 3.81Å; F570-V611 HydrophobicContact CB-CG1 4.12Å; F570-V611 HydrophobicContact CD2-CG1 3.75Å; F570-V611 HydrophobicContact CE2-CG1 4.38Å; F570-V611 HydrophobicContact CG-CG1 3.94Å; Q597-V611 HydrophobicContact CB-CG2 4.23Å; Q597-V611 HydrophobicContact CG-CG2 4.39Å; V606-V611 HydrophobicContact CG2-CG2 3.87Å; H607-V611 PolarHBondContact O-N 3.15Å; K608-V611 WeakPolarHBondContact O-CG2 3.41Å; V611-H613 PolarHBondContact O-N 3.24Å; V611-H613 VanDerWaalsContact O-N 3.13Å; V611-S614 WeakPolarHBondContact O-CB 3.43Å; V611-S614 PolarHBondContact O-N 2.86Å; V611-S614 PolarHBondContact O-OG 3.45Å |
| 612 | S | 82.7 | Confident | 80.4 | Confident | 46 Ų | 46 | 63.4 Ų | 63.4 | 32% | 0.322 | 33% | 0.332 | S | S | . | . | G | 310 helix | trans | -63.3 | -18.2 | 177.9 | 57.1 | 0 | 0 | 0 | 0 | 114.4 | C610 R615 | C610-S612 VanDerWaalsContact C-N 3.32Å; C610-S612 PolarHBondContact O-N 3.2Å; S612-R615 VanDerWaalsContact O-CD 3.3Å; S612-R615 WeakPolarHBondContact O-CD 3.46Å; S612-R615 PolarHBondContact O-NH1 2.67Å |
| 613 | H | 84.7 | Confident | 78.3 | Confident | 85 Ų | 85 | 68 Ų | 68 | 39% | 0.394 | 37% | 0.365 | S | S | . | . | G | 310 helix | trans | -97.4 | -17.7 | 180 | -66.4 | 89.6 | 0 | 0 | 0 | 112.9 | V587 C610 V611 R615 R616 | V587-H613 HydrophobicContact CG1-CB 3.5Å; V587-H613 HydrophobicContact CG2-CB 4.35Å; C610-H613 WeakPolarHBondContact O-CA 3.37Å; C610-H613 WeakPolarHBondContact O-CB 3.31Å; C610-H613 PolarHBondContact O-N 2.93Å; V611-H613 PolarHBondContact O-N 3.24Å; V611-H613 VanDerWaalsContact O-N 3.13Å; H613-R615 PolarHBondContact O-N 2.8Å; H613-R616 PolarHBondContact O-N 3.15Å |
| 614 | S | 83.6 | Confident | 76.2 | Confident | 0 Ų | 0 | 66.5 Ų | 66.5 | 0% | 0 | 38% | 0.377 | C | S | . | . | G | 310 helix | trans | -57.2 | -18 | 174.8 | 71.3 | 0 | 0 | 0 | 0 | 114 | F570 C610 V611 R616 L617 | F570-S614 WeakPolarHBondContact CE2-OG 3.17Å; F570-S614 WeakPolarHBondContact CZ-OG 3.46Å; C610-S614 PolarHBondContact O-N 3.25Å; C610-S614 VanDerWaalsContact O-N 3.15Å; V611-S614 WeakPolarHBondContact O-CB 3.43Å; V611-S614 PolarHBondContact O-N 2.86Å; V611-S614 PolarHBondContact O-OG 3.45Å; S614-R616 PolarHBondContact O-N 3.39Å; S614-L617 WeakPolarHBondContact O-CB 3.45Å; S614-L617 PolarHBondContact O-N 3.47Å |
| 615 | R | 82.8 | Confident | 73.5 | Confident | 76 Ų | 76 | 68.3 Ų | 68.3 | 29% | 0.287 | 41% | 0.405 | S | S | . | . | G | 310 helix | trans | -52.2 | -18 | 171.4 | 69.4 | -172.1 | -158.8 | -95.4 | 8.6 | 114.9 | L545 V560 V561 S562 A563 S612 H613 L617 | L545-R615 HydrophobicContact CD1-CB 4.35Å; L545-R615 HydrophobicContact CD1-CG 4.03Å; V560-R615 HydrophobicContact CG1-CB 3.72Å; V561-R615 VanDerWaalsContact O-CB 3.29Å; V561-R615 WeakPolarHBondContact O-CB 3.44Å; S562-R615 CarbonylContact C-O 3.59Å; S562-R615 VanDerWaalsContact CA-O 3.28Å; S562-R615 WeakPolarHBondContact CA-O 3.27Å; A563-R615 PolarHBondContact N-O 3.29Å; S612-R615 VanDerWaalsContact O-CD 3.3Å; S612-R615 WeakPolarHBondContact O-CD 3.46Å; S612-R615 PolarHBondContact O-NH1 2.67Å; H613-R615 PolarHBondContact O-N 2.8Å; R615-L617 VanDerWaalsContact C-N 3.35Å |
| 616 | R | 81.9 | Confident | 70.9 | Confident | 195 Ų | 195 | 74.9 Ų | 74.9 | 74% | 0.736 | 44% | 0.436 | S | S | * | . | G | 310 helix | trans | -82 | -8.8 | 174.2 | -64.6 | -177.7 | 175.9 | 179.5 | -1.3 | 114 | H613 S614 | H613-R616 PolarHBondContact O-N 3.15Å; S614-R616 PolarHBondContact O-N 3.39Å |
| 617 | L | 81.3 | Confident | 68.4 | Low | 46 Ų | 46 | 81 Ų | 81 | 24% | 0.241 | 47% | 0.469 | C | S | . | . | S | Bend | trans | -103 | 136.9 | -177.5 | -57.9 | 168.5 | 0 | 0 | 0 | 110.1 | S562 H568 A586 V587 I604 S614 R615 | S562-L617 WeakPolarHBondContact CB-O 3.46Å; H568-L617 PolarHBondContact NE2-O 3.02Å; A586-L617 HydrophobicContact CB-CD1 3.83Å; A586-L617 WeakPolarHBondContact O-CD1 3.16Å; V587-L617 HydrophobicContact CG2-CD1 4.11Å; I604-L617 HydrophobicContact CD1-CB 4.17Å; I604-L617 HydrophobicContact CD1-CD1 3.66Å; S614-L617 WeakPolarHBondContact O-CB 3.45Å; S614-L617 PolarHBondContact O-N 3.47Å; R615-L617 VanDerWaalsContact C-N 3.35Å |
| 618 | P | 80.7 | Confident | 65.7 | Low | 95 Ų | 95 | 85.4 Ų | 85.4 | 62% | 0.617 | 49% | 0.494 | S | S | * | . | trans | -66.1 | 151.5 | 172.2 | 30.1 | -34.8 | 0 | 0 | 0 | 110.6 | ||||
| 619 | C | 84.1 | Confident | 63.2 | Low | 4 Ų | 4 | 85.8 Ų | 85.8 | 3% | 0.027 | 50% | 0.498 | C | S | . | . | trans | -113.7 | 115.4 | 174.8 | -170 | 0 | 0 | 0 | 0 | 108.9 | F566 M567 H568 G621 | F566-C619 HydrophobicContact CB-CB 3.69Å; F566-C619 WeakPolarHBondContact CG-O 3.35Å; M567-C619 PolarHBondContact O-SG 3.44Å; H568-C619 VanDerWaalsContact CE1-CB 3.43Å; H568-C619 WeakPolarHBondContact CE1-CB 3.44Å; C619-G621 PolarHBondContact O-N 3.09Å | ||
| 620 | T | 68.2 | Low | 60.8 | Low | 107 Ų | 107 | 88.1 Ų | 88.1 | 66% | 0.656 | 50% | 0.502 | S | S | * | . | trans | -69.7 | 99.1 | 165.6 | 52.6 | 0 | 0 | 0 | 0 | 108.4 | C602 | C602-T620 WeakPolarHBondContact CB-OG1 3.41Š| ||
| 621 | G | 61.9 | Low | 58.1 | Low | 42 Ų | 42 | 94.5 Ų | 94.5 | 43% | 0.433 | 53% | 0.531 | S | S | . | . | trans | -64.9 | 161.5 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.6 | C619 S623 | C619-G621 PolarHBondContact O-N 3.09Å; G621-S623 PolarHBondContact O-N 3.31Å | ||
| 622 | P | 48.8 | Very low | 55.3 | Low | 98 Ų | 98 | 100.7 Ų | 100.7 | 64% | 0.636 | 56% | 0.559 | S | S | * | * | trans | -65.2 | 116.4 | 178.2 | 27.5 | -33.7 | 0 | 0 | 0 | 110.4 | Y601 S624 | Y601-P622 HydrophobicContact CD1-CG 4.13Å; P622-S624 PolarHBondContact O-N 3.04Å | ||
| 623 | S | 42 | Very low | 52.8 | Low | 120 Ų | 120 | 105.5 Ų | 105.5 | 84% | 0.839 | 57% | 0.574 | S | S | * | * | trans | -70.9 | 93.9 | 174.6 | 54.2 | 0 | 0 | 0 | 0 | 110.1 | G621 G625 | G621-S623 PolarHBondContact O-N 3.31Å; S623-G625 PolarHBondContact O-N 2.87Å; S623-G625 VanDerWaalsContact O-N 3.1Å | ||
| 624 | S | 38.8 | Very low | 50.1 | Low | 117 Ų | 117 | 110.1 Ų | 110.1 | 82% | 0.818 | 59% | 0.594 | S | S | * | * | trans | -66.2 | 103.7 | 175.6 | 54.5 | 0 | 0 | 0 | 0 | 110.7 | P622 Q626 | P622-S624 PolarHBondContact O-N 3.04Å; S624-Q626 PolarHBondContact O-N 2.89Å | ||
| 625 | G | 28.2 | Very low | 47.4 | Very low | 76 Ų | 76 | 114 Ų | 114 | 78% | 0.784 | 63% | 0.633 | S | S | * | * | trans | -77.6 | 114.3 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | S623 | S623-G625 PolarHBondContact O-N 2.87Å; S623-G625 VanDerWaalsContact O-N 3.1Å | ||
| 626 | Q | 31.8 | Very low | 44.8 | Very low | 174 Ų | 174 | 116 Ų | 116 | 81% | 0.813 | 66% | 0.659 | S | S | * | * | trans | -156.2 | 138.2 | 153.5 | -116.9 | 173.9 | 20.8 | 0 | 0 | 111.3 | S624 | S624-Q626 PolarHBondContact O-N 2.89Š| ||
| 627 | N | 32.1 | Very low | 42.8 | Very low | 129 Ų | 129 | 111.9 Ų | 111.9 | 69% | 0.69 | 66% | 0.657 | S | S | * | * | trans | 74 | 106.8 | 163.5 | -48 | -23.3 | 0 | 0 | 0 | 118.4 | ||||
| 628 | N | 29 | Very low | 40.2 | Very low | 130 Ų | 130 | 116.8 Ų | 116.8 | 70% | 0.695 | 68% | 0.684 | S | S | * | * | 56.1 | 138.6 | 120.4 | -64.9 | 36.8 | 0 | 0 | 0 | 120.1 | |||||
| 629 | E | 28.6 | Very low | 37.7 | Very low | 153 Ų | 153 | 119 Ų | 119 | 72% | 0.715 | 69% | 0.689 | S | S | * | * | cis | -169.3 | 177.8 | 5.2 | -126.2 | 167.1 | 148.1 | 0 | 0 | 112.7 | ||||
| 630 | L | 30.5 | Very low | 35 | Very low | 138 Ų | 138 | 128.2 Ų | 128.2 | 72% | 0.723 | 73% | 0.729 | S | S | * | * | trans | 85.1 | 127.7 | 154.5 | -69.8 | 150.9 | 0 | 0 | 0 | 122.6 | ||||
| 631 | H | 32.3 | Very low | 33.1 | Very low | 147 Ų | 147 | 133.4 Ų | 133.4 | 68% | 0.681 | 74% | 0.736 | S | S | * | * | trans | 58.8 | 115.8 | 161.3 | -65 | -68.4 | 0 | 0 | 0 | 120.2 | ||||
| 632 | E | 28.2 | Very low | 31.6 | Very low | 137 Ų | 137 | 139 Ų | 139 | 64% | 0.64 | 75% | 0.752 | S | S | * | * | 82.7 | 138.5 | 63.4 | -75.8 | -163 | 138.4 | 0 | 0 | 113.7 | |||||
| 633 | F | 29.5 | Very low | 30.5 | Very low | 146 Ų | 146 | 141.4 Ų | 141.4 | 64% | 0.64 | 76% | 0.758 | S | S | * | * | cis | -156.6 | 149 | 1.2 | -137.6 | -158.2 | 0 | 0 | 0 | 113.1 | ||||
| 634 | K | 27.4 | Very low | 30 | Very low | 183 Ų | 183 | 144.3 Ų | 144.3 | 80% | 0.796 | 76% | 0.758 | S | S | * | * | trans | 49.1 | 119.9 | 152.8 | -67.2 | 176.1 | -179.4 | 171.2 | 0 | 121.6 | ||||
| 635 | G | 27.5 | Very low | 29.5 | Very low | 80 Ų | 80 | 142.5 Ų | 142.5 | 83% | 0.825 | 75% | 0.75 | S | S | * | * | trans | 174.6 | 108.3 | 155.2 | 0 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 636 | S | 28 | Very low | 29.5 | Very low | 119 Ų | 119 | 145.9 Ų | 145.9 | 83% | 0.832 | 75% | 0.75 | S | S | * | * | trans | -131.8 | 166 | -179 | -46.5 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 637 | P | 39.4 | Very low | 29.3 | Very low | 108 Ų | 108 | 144.3 Ų | 144.3 | 70% | 0.701 | 75% | 0.746 | S | S | * | * | -133.3 | 158.7 | -66.4 | 38 | -24.1 | 0 | 0 | 0 | 113.2 | |||||
| 638 | N | 26.7 | Very low | 29.1 | Very low | 149 Ų | 149 | 145.8 Ų | 145.8 | 80% | 0.797 | 75% | 0.753 | S | S | * | * | trans | 156.4 | 171 | 139.2 | -89.1 | -57.6 | 0 | 0 | 0 | 113.3 | ||||
| 639 | I | 28.2 | Very low | 29 | Very low | 141 Ų | 141 | 145.3 Ų | 145.3 | 72% | 0.723 | 76% | 0.755 | S | S | * | * | trans | 61.8 | 118.9 | 173.6 | -4.5 | 180 | 0 | 0 | 0 | 113.3 | ||||
| 640 | F | 29 | Very low | 29 | Very low | 199 Ų | 199 | 144.3 Ų | 144.3 | 87% | 0.873 | 76% | 0.76 | S | S | * | * | cis | -146.7 | 171.5 | 47.2 | -112.1 | -88.4 | 0 | 0 | 0 | 115 | ||||
| 641 | R | 28.2 | Very low | 29 | Very low | 215 Ų | 215 | 142.6 Ų | 142.6 | 81% | 0.811 | 76% | 0.759 | S | S | * | * | trans | -111.2 | 144.3 | 176.6 | -149.7 | -174.7 | -160.9 | 178.3 | 3.9 | 110 | ||||
| 642 | Q | 28.9 | Very low | 28.9 | Very low | 161 Ų | 161 | 144.4 Ų | 144.4 | 75% | 0.752 | 77% | 0.768 | S | S | * | * | trans | 80.6 | 161.8 | 149.6 | -142.2 | 153.5 | -13.4 | 0 | 0 | 118.5 | ||||
| 643 | L | 27.2 | Very low | 29.1 | Very low | 148 Ų | 148 | 143.8 Ų | 143.8 | 78% | 0.775 | 77% | 0.773 | S | S | * | * | trans | 73.6 | 135.5 | -178.1 | -52.5 | -177.6 | 0 | 0 | 0 | 115.7 | ||||
| 644 | H | 29.6 | Very low | 28.9 | Very low | 180 Ų | 180 | 144 Ų | 144 | 83% | 0.833 | 78% | 0.782 | S | S | * | * | cis | -154 | -178.6 | -16.1 | -146.1 | -136.5 | 0 | 0 | 0 | 111.4 | ||||
| 645 | A | 30.1 | Very low | 29.1 | Very low | 79 Ų | 79 | 144.1 Ų | 144.1 | 65% | 0.653 | 79% | 0.79 | S | S | * | * | trans | -84.5 | 135.3 | -176.3 | 0 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 646 | N | 28.4 | Very low | 29.4 | Very low | 147 Ų | 147 | 150.9 Ų | 150.9 | 79% | 0.786 | 79% | 0.79 | S | S | * | * | trans | 73.2 | 139 | 139.2 | -96.6 | -11.2 | 0 | 0 | 0 | 123.4 | ||||
| 647 | I | 26.9 | Very low | 29.7 | Very low | 142 Ų | 142 | 151 Ų | 151 | 73% | 0.728 | 79% | 0.789 | S | S | * | * | trans | 74 | 100.9 | 151.1 | -57.9 | 156.1 | 0 | 0 | 0 | 117.5 | ||||
| 648 | L | 27.6 | Very low | 29.3 | Very low | 160 Ų | 160 | 149 Ų | 149 | 84% | 0.838 | 78% | 0.781 | S | S | * | * | -161.7 | 154.1 | 102.3 | -101 | 174.4 | 0 | 0 | 0 | 111.5 | |||||
| 649 | T | 26.7 | Very low | 29.4 | Very low | 120 Ų | 120 | 150.2 Ų | 150.2 | 74% | 0.736 | 78% | 0.781 | S | S | * | * | trans | -123.6 | -169.3 | 176.1 | 54.8 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 650 | T | 28.8 | Very low | 29.5 | Very low | 132 Ų | 132 | 147.8 Ų | 147.8 | 81% | 0.81 | 78% | 0.777 | S | S | * | * | trans | 84.7 | 145.6 | 174.6 | 77.6 | 0 | 0 | 0 | 0 | 116.1 | ||||
| 651 | S | 29.5 | Very low | 29.7 | Very low | 102 Ų | 102 | 144.8 Ų | 144.8 | 71% | 0.713 | 78% | 0.775 | S | S | * | * | cis | -167.9 | 160.8 | -17 | 46.6 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 652 | Q | 30.3 | Very low | 30.2 | Very low | 185 Ų | 185 | 140.5 Ų | 140.5 | 86% | 0.864 | 78% | 0.775 | S | S | * | * | trans | 179.3 | 150.4 | 145.6 | -103.5 | 171.1 | 67.2 | 0 | 0 | 108.2 | ||||
| 653 | T | 33.2 | Very low | 30.1 | Very low | 123 Ų | 123 | 137.2 Ų | 137.2 | 76% | 0.755 | 78% | 0.775 | S | S | * | * | cis | -127.7 | -176.9 | 3.8 | 54.1 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 654 | N | 26.4 | Very low | 30.2 | Very low | 152 Ų | 152 | 139.7 Ų | 139.7 | 81% | 0.813 | 78% | 0.78 | S | S | * | * | trans | -109.3 | 149.9 | -171.6 | -64.4 | -76.3 | 0 | 0 | 0 | 114.4 | ||||
| 655 | L | 30.8 | Very low | 30.2 | Very low | 184 Ų | 184 | 139.3 Ų | 139.3 | 96% | 0.963 | 78% | 0.779 | S | S | * | * | trans | -143.3 | 125.7 | 137.2 | -95.6 | -180 | 0 | 0 | 0 | 109.9 | ||||
| 656 | R | 34.2 | Very low | 30.2 | Very low | 222 Ų | 222 | 140.5 Ų | 140.5 | 84% | 0.838 | 78% | 0.783 | S | S | * | * | trans | -164.1 | 138.5 | 177.4 | -168.1 | -174.8 | -168.8 | -166.5 | 5.7 | 110 | ||||
| 657 | P | 34.3 | Very low | 30.3 | Very low | 123 Ų | 123 | 138 Ų | 138 | 80% | 0.799 | 78% | 0.776 | S | S | * | * | trans | -121.4 | 152.5 | 145 | 35.4 | -25.8 | 0 | 0 | 0 | 110.1 | ||||
| 658 | A | 29.8 | Very low | 30.5 | Very low | 65 Ų | 65 | 138.4 Ų | 138.4 | 54% | 0.537 | 78% | 0.78 | S | S | . | * | S | Bend | cis | -145.9 | 172.2 | 3.6 | 0 | 0 | 0 | 0 | 0 | 109.8 | ||
| 659 | H | 30.4 | Very low | 30.7 | Very low | 175 Ų | 175 | 135.2 Ų | 135.2 | 81% | 0.81 | 77% | 0.771 | S | S | * | * | cis | -134.8 | 162.3 | 2.9 | -98.7 | -70.4 | 0 | 0 | 0 | 111.6 | ||||
| 660 | S | 30.2 | Very low | 31 | Very low | 90 Ų | 90 | 136.2 Ų | 136.2 | 63% | 0.629 | 77% | 0.772 | S | S | * | * | trans | 11.2 | 122 | 150.7 | -42.3 | 0 | 0 | 0 | 0 | 119.2 | ||||
| 661 | T | 32.7 | Very low | 31 | Very low | 135 Ų | 135 | 135 Ų | 135 | 83% | 0.828 | 77% | 0.769 | S | S | * | * | 77.1 | 141 | 53.3 | 69.2 | 0 | 0 | 0 | 0 | 116 | |||||
| 662 | P | 38.7 | Very low | 31 | Very low | 125 Ų | 125 | 134.8 Ų | 134.8 | 81% | 0.812 | 77% | 0.773 | S | S | * | * | trans | -114 | 163.3 | -158.9 | 41.9 | -33 | 0 | 0 | 0 | 115.9 | ||||
| 663 | A | 26.9 | Very low | 30.9 | Very low | 92 Ų | 92 | 131.1 Ų | 131.1 | 76% | 0.76 | 77% | 0.768 | S | S | * | * | trans | -178.5 | 141.8 | 141.8 | 0 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 664 | F | 29.2 | Very low | 30.7 | Very low | 200 Ų | 200 | 130.3 Ų | 130.3 | 88% | 0.877 | 77% | 0.768 | S | S | * | * | trans | 61.5 | 148.8 | 148.4 | -96.5 | -98.1 | 0 | 0 | 0 | 123.4 | ||||
| 665 | Q | 30.1 | Very low | 30.7 | Very low | 173 Ų | 173 | 128.2 Ų | 128.2 | 81% | 0.808 | 76% | 0.763 | S | S | * | * | trans | 76.5 | 139.1 | 165.2 | -65.4 | -176.7 | -7.8 | 0 | 0 | 120.2 | ||||
| 666 | S | 29.4 | Very low | 30.4 | Very low | 104 Ų | 104 | 125.4 Ų | 125.4 | 73% | 0.727 | 75% | 0.754 | S | S | * | * | trans | 58.4 | 116.2 | 163.2 | 48.9 | 0 | 0 | 0 | 0 | 120.5 | ||||
| 667 | S | 30.5 | Very low | 30 | Very low | 94 Ų | 94 | 119.9 Ų | 119.9 | 66% | 0.657 | 75% | 0.749 | S | S | * | * | trans | 36.4 | 127.8 | 135.7 | 53.4 | 0 | 0 | 0 | 0 | 120.5 | ||||
| 668 | D | 31.2 | Very low | 29.7 | Very low | 150 Ų | 150 | 119 Ų | 119 | 80% | 0.802 | 75% | 0.746 | S | S | * | * | cis | -155.2 | 166.1 | 7.5 | -89.7 | -36 | 0 | 0 | 0 | 113.1 | ||||
| 669 | S | 32.4 | Very low | 29.8 | Very low | 94 Ų | 94 | 122.5 Ų | 122.5 | 66% | 0.657 | 76% | 0.761 | S | S | * | * | trans | -11 | 155.3 | 160.6 | 59.4 | 0 | 0 | 0 | 0 | 120.4 | ||||
| 670 | N | 32.5 | Very low | 29.9 | Very low | 141 Ų | 141 | 120.4 Ų | 120.4 | 75% | 0.754 | 76% | 0.763 | S | S | * | * | cis | -168.7 | 146.2 | -5.9 | -101.4 | -18.7 | 0 | 0 | 0 | 106.3 | ||||
| 671 | S | 29.1 | Very low | 29.8 | Very low | 106 Ų | 106 | 119.6 Ų | 119.6 | 74% | 0.741 | 77% | 0.769 | S | S | * | * | 60.4 | 137.3 | 75.1 | -48.9 | 0 | 0 | 0 | 0 | 114.6 | |||||
| 672 | A | 28.6 | Very low | 29.7 | Very low | 97 Ų | 97 | 119.1 Ų | 119.1 | 80% | 0.802 | 77% | 0.771 | S | S | * | * | cis | -166.3 | -179.2 | -11.6 | 0 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 673 | S | 28.5 | Very low | 29.4 | Very low | 108 Ų | 108 | 118.2 Ų | 118.2 | 76% | 0.755 | 77% | 0.765 | S | S | * | * | trans | -67.6 | 166.9 | -177.1 | -39.5 | 0 | 0 | 0 | 0 | 117.3 | ||||
| 674 | S | 28.9 | Very low | 29.5 | Very low | 107 Ų | 107 | 123.2 Ų | 123.2 | 75% | 0.748 | 77% | 0.77 | S | S | * | * | trans | 103.5 | 147.5 | 138.1 | -59.5 | 0 | 0 | 0 | 0 | 122.1 | ||||
| 675 | C | 26 | Very low | 29.5 | Very low | 107 Ų | 107 | 120.5 Ų | 120.5 | 72% | 0.723 | 77% | 0.77 | S | S | * | * | trans | 55.7 | 108.4 | 152 | 61.4 | 0 | 0 | 0 | 0 | 122.9 | ||||
| 676 | T | 25.9 | Very low | 29.7 | Very low | 126 Ų | 126 | 118.7 Ų | 118.7 | 77% | 0.773 | 77% | 0.77 | S | S | * | * | 67.5 | 129.7 | 128.6 | 56.7 | 0 | 0 | 0 | 0 | 122.3 | |||||
| 677 | S | 25.4 | Very low | 29.8 | Very low | 105 Ų | 105 | 116.9 Ų | 116.9 | 73% | 0.734 | 77% | 0.768 | S | S | * | * | trans | 63.2 | 114.3 | 149 | 55.3 | 0 | 0 | 0 | 0 | 120.7 | ||||
| 678 | S | 27.7 | Very low | 29.9 | Very low | 104 Ų | 104 | 118.6 Ų | 118.6 | 73% | 0.727 | 78% | 0.775 | S | S | * | * | trans | 73.1 | 82.4 | 130.4 | -51.1 | 0 | 0 | 0 | 0 | 120.2 | ||||
| 679 | T | 31.8 | Very low | 30 | Very low | 140 Ų | 140 | 116.1 Ų | 116.1 | 86% | 0.859 | 77% | 0.769 | S | S | * | * | trans | 69.3 | 163.5 | 140.9 | 32.7 | 0 | 0 | 0 | 0 | 118.2 | ||||
| 680 | P | 32.6 | Very low | 29.9 | Very low | 130 Ų | 130 | 119 Ų | 119 | 84% | 0.844 | 78% | 0.777 | S | S | * | * | trans | -98 | 145.6 | -144.5 | 36.3 | -36.3 | 0 | 0 | 0 | 115.6 | ||||
| 681 | G | 28.5 | Very low | 30 | Very low | 73 Ų | 73 | 119.9 Ų | 119.9 | 75% | 0.753 | 78% | 0.78 | S | S | * | * | trans | -174 | 128.8 | 166.5 | 0 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 682 | S | 29.3 | Very low | 30 | Very low | 125 Ų | 125 | 119.7 Ų | 119.7 | 87% | 0.874 | 78% | 0.778 | S | S | * | * | trans | -72.6 | 155.3 | -179.3 | -53.5 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 683 | P | 33 | Very low | 30.2 | Very low | 107 Ų | 107 | 120.8 Ų | 120.8 | 70% | 0.695 | 78% | 0.775 | S | S | * | * | trans | -114.8 | -178.2 | -156.7 | 29.9 | -11.1 | 0 | 0 | 0 | 115.6 | ||||
| 684 | F | 28.2 | Very low | 30.3 | Very low | 197 Ų | 197 | 121.2 Ų | 121.2 | 86% | 0.864 | 77% | 0.773 | S | S | * | * | trans | 74.8 | 107.5 | 165.6 | -72.4 | -77.2 | 0 | 0 | 0 | 120.9 | ||||
| 685 | V | 30.3 | Very low | 30.5 | Very low | 142 Ų | 142 | 123.7 Ų | 123.7 | 86% | 0.861 | 78% | 0.778 | S | S | * | * | trans | -145.1 | 150.3 | 138.2 | -128.8 | 0 | 0 | 0 | 0 | 105 | ||||
| 686 | T | 34.2 | Very low | 30.8 | Very low | 135 Ų | 135 | 122.9 Ų | 122.9 | 83% | 0.828 | 78% | 0.778 | S | S | * | * | cis | -140.2 | 161.8 | 18.2 | 49.6 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 687 | G | 31.6 | Very low | 31 | Very low | 66 Ų | 66 | 121.9 Ų | 121.9 | 68% | 0.68 | 78% | 0.783 | S | S | * | * | cis | -167.3 | -163.7 | 5.3 | 0 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 688 | T | 33.4 | Very low | 31.3 | Very low | 130 Ų | 130 | 121.7 Ų | 121.7 | 80% | 0.798 | 78% | 0.782 | S | S | * | * | cis | -146.2 | 159.5 | 16.6 | 45.8 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 689 | S | 31.6 | Very low | 31.3 | Very low | 98 Ų | 98 | 121.9 Ų | 121.9 | 69% | 0.685 | 78% | 0.782 | S | S | * | * | trans | 59.2 | 108.8 | 151.8 | 57.2 | 0 | 0 | 0 | 0 | 120.9 | ||||
| 690 | L | 31.9 | Very low | 31.1 | Very low | 156 Ų | 156 | 119.8 Ų | 119.8 | 82% | 0.817 | 77% | 0.772 | S | S | * | * | 92.3 | 125.3 | 125.8 | -69.5 | 171.3 | 0 | 0 | 0 | 121.9 | |||||
| 691 | I | 32.5 | Very low | 30.9 | Very low | 159 Ų | 159 | 119.5 Ų | 119.5 | 82% | 0.815 | 77% | 0.768 | S | S | * | * | trans | 82 | 150.1 | 151.4 | -60.4 | 158.4 | 0 | 0 | 0 | 116.1 | ||||
| 692 | S | 30.4 | Very low | 31 | Very low | 101 Ų | 101 | 126.2 Ų | 126.2 | 71% | 0.706 | 77% | 0.77 | S | S | * | * | trans | -110.9 | 176.4 | -152.9 | -53.6 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 693 | T | 31.8 | Very low | 31.1 | Very low | 121 Ų | 121 | 126.6 Ų | 126.6 | 74% | 0.742 | 76% | 0.762 | S | S | * | * | trans | 87.2 | 124 | 144.9 | 28.2 | 0 | 0 | 0 | 0 | 121.5 | ||||
| 694 | T | 32 | Very low | 31 | Very low | 116 Ų | 116 | 127.6 Ų | 127.6 | 71% | 0.712 | 76% | 0.761 | S | S | * | * | trans | 83.2 | 128.1 | 139.5 | 41.8 | 0 | 0 | 0 | 0 | 122.9 | ||||
| 695 | L | 32.1 | Very low | 31.2 | Very low | 160 Ų | 160 | 122.4 Ų | 122.4 | 84% | 0.838 | 75% | 0.75 | S | S | * | * | trans | 64.4 | 114.5 | 147.2 | -59.8 | 164.2 | 0 | 0 | 0 | 116.8 | ||||
| 696 | A | 31.6 | Very low | 31.3 | Very low | 89 Ų | 89 | 120.1 Ų | 120.1 | 74% | 0.736 | 74% | 0.74 | S | S | * | * | cis | 94.9 | 122.5 | 29.6 | 0 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 697 | A | 32.1 | Very low | 31.2 | Very low | 106 Ų | 106 | 123.9 Ų | 123.9 | 88% | 0.876 | 74% | 0.74 | S | S | * | * | trans | 66.9 | 155.7 | 162.2 | 0 | 0 | 0 | 0 | 0 | 119.1 | ||||
| 698 | S | 29.8 | Very low | 31.2 | Very low | 101 Ų | 101 | 126.9 Ų | 126.9 | 71% | 0.706 | 75% | 0.746 | S | S | * | * | cis | -173.8 | 164.5 | -32.4 | -164.4 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 699 | C | 27.7 | Very low | 30.9 | Very low | 108 Ų | 108 | 124.7 Ų | 124.7 | 73% | 0.73 | 74% | 0.741 | S | S | * | * | trans | 68.4 | 155.2 | 155.3 | -69.4 | 0 | 0 | 0 | 0 | 118.8 | ||||
| 700 | C | 28.1 | Very low | 31 | Very low | 96 Ų | 96 | 126.6 Ų | 126.6 | 65% | 0.649 | 75% | 0.748 | S | S | * | * | cis | -170.7 | 146.5 | -25.2 | -112.7 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 701 | T | 29.4 | Very low | 31 | Very low | 124 Ų | 124 | 122 Ų | 122 | 76% | 0.761 | 74% | 0.738 | S | S | * | * | trans | 68.1 | 173.4 | 149.5 | 67.9 | 0 | 0 | 0 | 0 | 117.4 | ||||
| 702 | R | 29.5 | Very low | 31 | Very low | 214 Ų | 214 | 119.4 Ų | 119.4 | 81% | 0.808 | 73% | 0.734 | S | S | * | * | cis | -165 | 174.4 | 17.7 | -151.6 | 167.3 | -160.3 | -162.9 | 6.3 | 114.7 | ||||
| 703 | L | 31.6 | Very low | 31.1 | Very low | 133 Ų | 133 | 121.6 Ų | 121.6 | 70% | 0.696 | 74% | 0.738 | S | S | * | * | trans | 80.7 | 141.7 | 161.2 | -56.7 | 177.4 | 0 | 0 | 0 | 116.3 | ||||
| 704 | D | 30.4 | Very low | 30.9 | Very low | 127 Ų | 127 | 122.9 Ų | 122.9 | 68% | 0.679 | 74% | 0.74 | S | S | * | * | cis | -151.5 | 166.3 | 1.6 | -126.8 | -39.4 | 0 | 0 | 0 | 108.3 | ||||
| 705 | S | 32.9 | Very low | 30.9 | Very low | 89 Ų | 89 | 125.4 Ų | 125.4 | 62% | 0.622 | 75% | 0.748 | S | S | * | * | cis | -153.2 | -151.6 | 5.5 | -150.6 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 706 | S | 33.5 | Very low | 30.8 | Very low | 94 Ų | 94 | 123.4 Ų | 123.4 | 66% | 0.657 | 75% | 0.747 | S | S | * | * | cis | -165.1 | 158.7 | 4.2 | 33.7 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 707 | Y | 31.1 | Very low | 30.8 | Very low | 213 Ų | 213 | 122.8 Ų | 122.8 | 84% | 0.835 | 75% | 0.749 | S | S | * | * | trans | 31.9 | 129 | 142.4 | -72.8 | -108.6 | 0 | 0 | 0 | 119.9 | ||||
| 708 | V | 31 | Very low | 30.7 | Very low | 130 Ų | 130 | 122.9 Ų | 122.9 | 79% | 0.788 | 74% | 0.743 | S | S | * | * | cis | -143.6 | 163.5 | 15.1 | -167.6 | 0 | 0 | 0 | 0 | 111 | ||||
| 709 | A | 28.7 | Very low | 30.7 | Very low | 84 Ų | 84 | 122.8 Ų | 122.8 | 69% | 0.694 | 74% | 0.742 | S | S | * | * | trans | -63.5 | 174.8 | 163.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 710 | V | 33.1 | Very low | 30.7 | Very low | 137 Ų | 137 | 125.3 Ų | 125.3 | 83% | 0.83 | 75% | 0.748 | S | S | * | * | cis | -161 | 151.7 | 46.7 | 174.5 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 711 | G | 30.9 | Very low | 30.7 | Very low | 60 Ų | 60 | 126.7 Ų | 126.7 | 62% | 0.619 | 75% | 0.753 | S | S | * | * | cis | 150.2 | 166.8 | -4.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 712 | S | 33.4 | Very low | 30.7 | Very low | 104 Ų | 104 | 127.1 Ų | 127.1 | 73% | 0.727 | 76% | 0.756 | S | S | * | * | trans | 70.1 | 145.4 | 162.9 | -57.3 | 0 | 0 | 0 | 0 | 119 | ||||
| 713 | N | 32.5 | Very low | 30.5 | Very low | 148 Ų | 148 | 120.7 Ų | 120.7 | 79% | 0.791 | 76% | 0.756 | S | S | * | * | cis | -156.3 | 163.6 | -14.7 | -117.3 | -21.4 | 0 | 0 | 0 | 112.8 | ||||
| 714 | N | 26.7 | Very low | 30.4 | Very low | 147 Ų | 147 | 123.6 Ų | 123.6 | 79% | 0.786 | 77% | 0.767 | S | S | * | * | trans | -73.2 | 164.1 | 177.1 | -54.3 | -70.5 | 0 | 0 | 0 | 113.7 | ||||
| 715 | I | 32.4 | Very low | 30.2 | Very low | 170 Ų | 170 | 126 Ų | 126 | 87% | 0.872 | 78% | 0.776 | S | S | * | * | trans | -141.8 | 153 | 130.7 | -106 | 161.7 | 0 | 0 | 0 | 109.7 | ||||
| 716 | S | 29.9 | Very low | 30.2 | Very low | 118 Ų | 118 | 129.7 Ų | 129.7 | 83% | 0.825 | 79% | 0.787 | S | S | * | * | trans | -69.4 | 155.5 | -168.3 | 44.3 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 717 | G | 31.5 | Very low | 29.8 | Very low | 76 Ų | 76 | 130.1 Ų | 130.1 | 78% | 0.784 | 79% | 0.79 | S | S | * | * | trans | -148.3 | -4.6 | -178.2 | 0 | 0 | 0 | 0 | 0 | 119.4 | ||||
| 718 | S | 30.8 | Very low | 29.7 | Very low | 107 Ų | 107 | 127.6 Ų | 127.6 | 75% | 0.748 | 79% | 0.79 | S | S | * | * | trans | 62.8 | 128.3 | 170.2 | -162.9 | 0 | 0 | 0 | 0 | 120.4 | ||||
| 719 | C | 29.1 | Very low | 29.6 | Very low | 100 Ų | 100 | 126.6 Ų | 126.6 | 68% | 0.676 | 79% | 0.788 | S | S | * | * | trans | 50.3 | 138.3 | 149.3 | 69.7 | 0 | 0 | 0 | 0 | 121.8 | ||||
| 720 | N | 29.2 | Very low | 29.7 | Very low | 161 Ų | 161 | 128.4 Ų | 128.4 | 86% | 0.861 | 80% | 0.796 | S | S | * | * | cis | -149.9 | 141.1 | -9.1 | -102.9 | -9.9 | 0 | 0 | 0 | 109.2 | ||||
| 721 | T | 28 | Very low | 30.1 | Very low | 124 Ų | 124 | 127.7 Ų | 127.7 | 76% | 0.761 | 79% | 0.794 | S | S | * | * | trans | -101 | 155.1 | -178.2 | 45.2 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 722 | T | 28.1 | Very low | 30.5 | Very low | 133 Ų | 133 | 129.7 Ų | 129.7 | 82% | 0.816 | 80% | 0.797 | S | S | * | * | trans | 50.8 | 116.4 | 149.4 | 53.2 | 0 | 0 | 0 | 0 | 118.7 | ||||
| 723 | G | 25.7 | Very low | 30.2 | Very low | 79 Ų | 79 | 132.6 Ų | 132.6 | 81% | 0.814 | 80% | 0.803 | S | S | * | * | trans | -73.7 | 141.4 | 169.4 | 0 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 724 | Q | 29.5 | Very low | 30.1 | Very low | 195 Ų | 195 | 136.9 Ų | 136.9 | 91% | 0.911 | 81% | 0.808 | S | S | * | * | trans | -128.7 | 143.3 | 141.5 | -84.6 | -168.1 | -14.4 | 0 | 0 | 108.5 | ||||
| 725 | M | 27.1 | Very low | 30.2 | Very low | 178 Ų | 178 | 137.4 Ų | 137.4 | 88% | 0.877 | 81% | 0.811 | S | S | * | * | trans | -79.9 | 134.3 | 174 | -75.6 | -90.5 | -75.4 | 0 | 0 | 109.9 | ||||
| 726 | I | 31.5 | Very low | 30.2 | Very low | 166 Ų | 166 | 136.1 Ų | 136.1 | 85% | 0.851 | 81% | 0.805 | S | S | * | * | trans | -111.3 | 135.9 | 151.8 | -62.7 | -178.5 | 0 | 0 | 0 | 106.9 | ||||
| 727 | S | 26.5 | Very low | 30.3 | Very low | 103 Ų | 103 | 137.2 Ų | 137.2 | 72% | 0.72 | 80% | 0.802 | S | S | * | * | trans | -68.1 | 144.5 | -171.3 | -175.1 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 728 | L | 28 | Very low | 30.2 | Very low | 160 Ų | 160 | 140.6 Ų | 140.6 | 84% | 0.838 | 80% | 0.802 | S | S | * | * | -171.2 | 159.5 | 124.4 | -97.3 | 159.8 | 0 | 0 | 0 | 110.5 | |||||
| 729 | S | 30.4 | Very low | 30.3 | Very low | 108 Ų | 108 | 140.8 Ų | 140.8 | 76% | 0.755 | 80% | 0.803 | S | S | * | * | trans | 76.1 | 72.2 | 170.9 | -48.9 | 0 | 0 | 0 | 0 | 119.1 | ||||
| 730 | S | 29.8 | Very low | 30.4 | Very low | 122 Ų | 122 | 139.8 Ų | 139.8 | 85% | 0.853 | 81% | 0.81 | S | S | * | * | trans | 22.9 | 117.9 | 140.8 | -52.9 | 0 | 0 | 0 | 0 | 121.9 | ||||
| 731 | P | 40.6 | Very low | 30.5 | Very low | 122 Ų | 122 | 135.8 Ų | 135.8 | 79% | 0.792 | 81% | 0.807 | S | S | * | * | -119 | -163.5 | 119.1 | 40.8 | -35.5 | 0 | 0 | 0 | 109.1 | |||||
| 732 | P | 41.2 | Very low | 30.4 | Very low | 103 Ų | 103 | 140 Ų | 140 | 67% | 0.669 | 82% | 0.815 | S | S | * | * | cis | -140.2 | -179.6 | 3 | 44.6 | -26.1 | 0 | 0 | 0 | 117.7 | ||||
| 733 | L | 27.1 | Very low | 30.6 | Very low | 165 Ų | 165 | 141.7 Ų | 141.7 | 86% | 0.864 | 82% | 0.817 | S | S | * | * | trans | 48.6 | 113 | 148 | -71.7 | 162.7 | 0 | 0 | 0 | 120.3 | ||||
| 734 | R | 28.9 | Very low | 30.7 | Very low | 237 Ų | 237 | 142.7 Ų | 142.7 | 89% | 0.894 | 81% | 0.811 | S | S | * | * | trans | -74.6 | 134.4 | 152.1 | -77.6 | -177.7 | 172.2 | 178.7 | -2.7 | 110.1 | ||||
| 735 | N | 29.6 | Very low | 30.6 | Very low | 158 Ų | 158 | 140.2 Ų | 140.2 | 85% | 0.845 | 80% | 0.803 | S | S | * | * | trans | -104.4 | 152 | 152.9 | -149.8 | -6.3 | 0 | 0 | 0 | 108.2 | ||||
| 736 | L | 31.9 | Very low | 30.6 | Very low | 143 Ų | 143 | 139.9 Ų | 139.9 | 75% | 0.749 | 80% | 0.799 | S | S | * | * | trans | -137.8 | 133.4 | 176.3 | -126.6 | 169.1 | 0 | 0 | 0 | 108.5 | ||||
| 737 | N | 31.1 | Very low | 30.5 | Very low | 141 Ų | 141 | 136.8 Ų | 136.8 | 75% | 0.754 | 79% | 0.792 | S | S | * | * | trans | -58.3 | 145.8 | -169.8 | -51.3 | -27.1 | 0 | 0 | 0 | 111.3 | ||||
| 738 | N | 31 | Very low | 30.6 | Very low | 148 Ų | 148 | 138.5 Ų | 138.5 | 79% | 0.791 | 79% | 0.794 | S | S | * | * | -153.4 | 159.7 | 60.9 | -103.2 | -19.6 | 0 | 0 | 0 | 115.6 | |||||
| 739 | S | 33.1 | Very low | 30.7 | Very low | 110 Ų | 110 | 136.9 Ų | 136.9 | 77% | 0.769 | 79% | 0.791 | S | S | * | * | trans | -23.7 | 150.3 | 157 | 53.4 | 0 | 0 | 0 | 0 | 117 | ||||
| 740 | G | 30.7 | Very low | 30.8 | Very low | 80 Ų | 80 | 135.6 Ų | 135.6 | 83% | 0.825 | 78% | 0.781 | S | S | * | * | cis | 161 | 153.7 | 8.6 | 0 | 0 | 0 | 0 | 0 | 106.7 | ||||
| 741 | G | 30.9 | Very low | 30.8 | Very low | 77 Ų | 77 | 137.8 Ų | 137.8 | 79% | 0.794 | 78% | 0.778 | S | S | * | * | cis | 123.5 | 84.8 | 41.9 | 0 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 742 | F | 26.6 | Very low | 30.3 | Very low | 212 Ų | 212 | 139.8 Ų | 139.8 | 93% | 0.93 | 78% | 0.781 | S | S | * | * | trans | -85.4 | 134.8 | -175.8 | -95.1 | -85 | 0 | 0 | 0 | 112.6 | ||||
| 743 | I | 31.7 | Very low | 29.9 | Very low | 169 Ų | 169 | 139.6 Ų | 139.6 | 87% | 0.867 | 78% | 0.782 | S | S | * | * | trans | -136.7 | 145.6 | 157.1 | -62.8 | -176.5 | 0 | 0 | 0 | 107.8 | ||||
| 744 | C | 26.7 | Very low | 29.9 | Very low | 100 Ų | 100 | 136.7 Ų | 136.7 | 68% | 0.676 | 78% | 0.776 | S | S | * | * | trans | -112.6 | 136.3 | -171.7 | 42.9 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 745 | N | 28.7 | Very low | 30.6 | Very low | 142 Ų | 142 | 131 Ų | 131 | 76% | 0.759 | 77% | 0.77 | S | S | * | * | 174.1 | 151 | 111.2 | -91.2 | -24.4 | 0 | 0 | 0 | 115.1 | |||||
| 746 | H | 27.7 | Very low | 30.5 | Very low | 171 Ų | 171 | 129.2 Ų | 129.2 | 79% | 0.792 | 76% | 0.764 | S | S | * | * | trans | -17.5 | 137 | 164.8 | -54.3 | -91.3 | 0 | 0 | 0 | 117.2 | ||||
| 747 | S | 28.8 | Very low | 30.3 | Very low | 101 Ų | 101 | 127.2 Ų | 127.2 | 71% | 0.706 | 76% | 0.762 | S | S | * | * | -175.4 | 153.5 | 67.7 | -62.6 | 0 | 0 | 0 | 0 | 114.6 | |||||
| 748 | N | 28.2 | Very low | 30.2 | Very low | 140 Ų | 140 | 127.7 Ų | 127.7 | 75% | 0.749 | 76% | 0.763 | S | S | * | * | trans | 63.9 | 120 | 147 | -65.3 | -7.2 | 0 | 0 | 0 | 123.3 | ||||
| 749 | T | 30.7 | Very low | 29.9 | Very low | 126 Ų | 126 | 128 Ų | 128 | 77% | 0.773 | 76% | 0.759 | S | S | * | * | trans | 62.6 | 143.5 | 132.8 | 58.2 | 0 | 0 | 0 | 0 | 122.4 | ||||
| 750 | S | 31.2 | Very low | 29.7 | Very low | 80 Ų | 80 | 128.7 Ų | 128.7 | 56% | 0.559 | 76% | 0.764 | S | S | * | * | cis | -176.3 | 160.9 | -30 | 43.9 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 751 | H | 30.9 | Very low | 29.5 | Very low | 169 Ų | 169 | 135.2 Ų | 135.2 | 78% | 0.782 | 77% | 0.766 | S | S | * | * | trans | 68.2 | 144 | 170.8 | -43.7 | -68.5 | 0 | 0 | 0 | 116 | ||||
| 752 | L | 29.9 | Very low | 29.5 | Very low | 163 Ų | 163 | 134.6 Ų | 134.6 | 85% | 0.853 | 76% | 0.76 | S | S | * | * | cis | -112.5 | -163.7 | -7.8 | -67.2 | 83.8 | 0 | 0 | 0 | 108 | ||||
| 753 | S | 32.8 | Very low | 29.7 | Very low | 99 Ų | 99 | 130.6 Ų | 130.6 | 69% | 0.692 | 75% | 0.753 | S | S | * | * | cis | -155.1 | -173.5 | 4.6 | -155 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 754 | S | 27.3 | Very low | 29.8 | Very low | 104 Ų | 104 | 128.4 Ų | 128.4 | 73% | 0.727 | 75% | 0.747 | S | S | * | * | trans | -162.7 | -169.4 | 176.6 | -43.3 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 755 | P | 42.2 | Very low | 30.1 | Very low | 119 Ų | 119 | 130 Ų | 130 | 77% | 0.773 | 75% | 0.749 | S | S | * | * | cis | -129.8 | -155.6 | -30.3 | 22.9 | 2 | 0 | 0 | 0 | 112.2 | ||||
| 756 | V | 28.7 | Very low | 30.3 | Very low | 119 Ų | 119 | 128.8 Ų | 128.8 | 72% | 0.721 | 75% | 0.746 | S | S | * | * | trans | 103.7 | 88.4 | 150.4 | -171.6 | 0 | 0 | 0 | 0 | 119.9 | ||||
| 757 | S | 28 | Very low | 30.5 | Very low | 101 Ų | 101 | 123.4 Ų | 123.4 | 71% | 0.706 | 74% | 0.737 | S | S | * | * | 72.2 | 144.5 | 117.5 | -54.8 | 0 | 0 | 0 | 0 | 126 | |||||
| 758 | I | 27.9 | Very low | 30.6 | Very low | 152 Ų | 152 | 126.3 Ų | 126.3 | 78% | 0.779 | 74% | 0.743 | S | S | * | * | trans | 93.8 | 124.7 | 143 | -77.5 | 157 | 0 | 0 | 0 | 121.4 | ||||
| 759 | H | 25.9 | Very low | 30.8 | Very low | 153 Ų | 153 | 125.7 Ų | 125.7 | 71% | 0.708 | 74% | 0.744 | S | S | * | * | trans | -5.6 | 151.1 | 164 | -60.1 | -84.4 | 0 | 0 | 0 | 123.3 | ||||
| 760 | S | 28 | Very low | 30.9 | Very low | 126 Ų | 126 | 124.6 Ų | 124.6 | 88% | 0.881 | 74% | 0.737 | S | S | * | * | -154.3 | 159.3 | 117.4 | -83.3 | 0 | 0 | 0 | 0 | 113.2 | |||||
| 761 | Y | 27.8 | Very low | 30.8 | Very low | 216 Ų | 216 | 127.4 Ų | 127.4 | 85% | 0.847 | 75% | 0.746 | S | S | * | * | trans | -118.4 | 160.7 | 174.7 | -88.9 | -91.4 | 0 | 0 | 0 | 110.4 | ||||
| 762 | G | 30 | Very low | 30.8 | Very low | 65 Ų | 65 | 124 Ų | 124 | 67% | 0.67 | 74% | 0.737 | S | S | * | * | trans | -172.8 | 122.2 | 164.2 | 0 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 763 | T | 30.9 | Very low | 30.8 | Very low | 128 Ų | 128 | 123.8 Ų | 123.8 | 79% | 0.785 | 73% | 0.732 | S | S | * | * | cis | 71.1 | 135 | 29.2 | -32.2 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 764 | V | 34.4 | Very low | 30.6 | Very low | 123 Ų | 123 | 125.4 Ų | 125.4 | 75% | 0.745 | 73% | 0.729 | S | S | * | * | cis | -128 | -170.3 | 38.6 | -63.5 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 765 | N | 32.4 | Very low | 30.7 | Very low | 134 Ų | 134 | 127.3 Ų | 127.3 | 72% | 0.717 | 73% | 0.726 | S | S | * | * | cis | -165.3 | 173.9 | -1.9 | -128.5 | 17.5 | 0 | 0 | 0 | 106 | ||||
| 766 | T | 33.1 | Very low | 30.1 | Very low | 115 Ų | 115 | 128.4 Ų | 128.4 | 71% | 0.706 | 72% | 0.721 | S | S | * | * | cis | -167.5 | 166.6 | -16 | 10.2 | 0 | 0 | 0 | 0 | 105.7 | ||||
| 767 | G | 30.8 | Very low | 30.1 | Very low | 58 Ų | 58 | 130.8 Ų | 130.8 | 60% | 0.598 | 72% | 0.724 | S | S | * | * | cis | 151.7 | 171.9 | -4.4 | 0 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 768 | I | 31.1 | Very low | 30.1 | Very low | 162 Ų | 162 | 130.9 Ų | 130.9 | 83% | 0.831 | 72% | 0.72 | S | S | * | * | trans | 62.8 | 144.9 | 167 | 6.9 | -175.6 | 0 | 0 | 0 | 115.3 | ||||
| 769 | V | 32.7 | Very low | 30 | Very low | 128 Ų | 128 | 132.3 Ų | 132.3 | 78% | 0.776 | 72% | 0.723 | S | S | * | * | cis | -142.3 | 151.7 | 27.5 | 178.3 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 770 | T | 32.4 | Very low | 30.1 | Very low | 102 Ų | 102 | 130.3 Ų | 130.3 | 63% | 0.626 | 73% | 0.726 | S | S | * | * | trans | -49.9 | 171.4 | -175.3 | 62.2 | 0 | 0 | 0 | 0 | 123.6 | ||||
| 771 | N | 30.1 | Very low | 30.4 | Very low | 139 Ų | 139 | 129.6 Ų | 129.6 | 74% | 0.743 | 72% | 0.719 | S | S | * | * | trans | 85.7 | 147.1 | 146.2 | -68 | -13.5 | 0 | 0 | 0 | 119.5 | ||||
| 772 | T | 30.9 | Very low | 30.4 | Very low | 98 Ų | 98 | 129.9 Ų | 129.9 | 60% | 0.601 | 72% | 0.718 | S | S | * | * | cis | -167.3 | 143.9 | -12.2 | 20.7 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 773 | Q | 29.2 | Very low | 30.2 | Very low | 159 Ų | 159 | 135.4 Ų | 135.4 | 74% | 0.743 | 73% | 0.726 | S | S | * | * | trans | 65.5 | 162.7 | 146.5 | -66 | 176.5 | 39.7 | 0 | 0 | 117.5 | ||||
| 774 | Q | 30 | Very low | 29.9 | Very low | 133 Ų | 133 | 134.7 Ų | 134.7 | 62% | 0.621 | 73% | 0.726 | S | S | * | * | cis | -160 | 145.3 | 3.3 | -131.9 | 176.6 | 59.6 | 0 | 0 | 110.4 | ||||
| 775 | Q | 29.2 | Very low | 29.5 | Very low | 144 Ų | 144 | 132.4 Ų | 132.4 | 67% | 0.673 | 73% | 0.728 | S | S | * | * | trans | 45.3 | 159.1 | 138.4 | -65.3 | 173.8 | 18 | 0 | 0 | 122.1 | ||||
| 776 | Q | 29.7 | Very low | 29.2 | Very low | 141 Ų | 141 | 135 Ų | 135 | 66% | 0.659 | 74% | 0.735 | S | S | * | * | cis | -162.3 | 143.3 | -10.9 | -103.1 | 161.8 | 13 | 0 | 0 | 106.8 | ||||
| 777 | H | 27.3 | Very low | 28.7 | Very low | 169 Ų | 169 | 134.3 Ų | 134.3 | 78% | 0.782 | 73% | 0.734 | S | S | * | * | 56.2 | 136.4 | 74.9 | -62.1 | -76.4 | 0 | 0 | 0 | 116.9 | |||||
| 778 | V | 27.6 | Very low | 28.5 | Very low | 104 Ų | 104 | 140 Ų | 140 | 63% | 0.63 | 74% | 0.743 | S | S | * | * | cis | -167.1 | 163.5 | -26.2 | -85.3 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 779 | H | 26.4 | Very low | 28.1 | Very low | 182 Ų | 182 | 140.4 Ų | 140.4 | 84% | 0.843 | 75% | 0.747 | S | S | * | * | trans | 157.4 | 157.3 | 132.7 | -83.1 | -54.9 | 0 | 0 | 0 | 118.5 | ||||
| 780 | S | 28.8 | Very low | 27.7 | Very low | 111 Ų | 111 | 141.9 Ų | 141.9 | 78% | 0.776 | 75% | 0.745 | S | S | * | * | trans | -93.5 | -164.3 | 174.4 | -34.7 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 781 | P | 34.7 | Very low | 27.2 | Very low | 111 Ų | 111 | 146.1 Ų | 146.1 | 72% | 0.721 | 76% | 0.755 | S | S | * | * | cis | -160.3 | -163.7 | 49.4 | 44.1 | -19.1 | 0 | 0 | 0 | 119.1 | ||||
| 782 | R | 27.2 | Very low | 26.9 | Very low | 221 Ų | 221 | 147.7 Ų | 147.7 | 83% | 0.834 | 76% | 0.758 | S | S | * | * | trans | 81.3 | 116.9 | 160.3 | -72.6 | 176 | -179.3 | -164.1 | -0.5 | 118.6 | ||||
| 783 | H | 24.6 | Very low | 26.7 | Very low | 182 Ų | 182 | 151.2 Ų | 151.2 | 84% | 0.843 | 77% | 0.765 | S | S | * | * | 70.8 | 136.9 | 85.7 | -84.4 | -89.1 | 0 | 0 | 0 | 113.7 | |||||
| 784 | S | 25.1 | Very low | 26.7 | Very low | 112 Ų | 112 | 149.3 Ų | 149.3 | 78% | 0.783 | 77% | 0.767 | S | S | * | * | cis | -166.5 | 152.9 | 8.7 | 50.8 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 785 | G | 26.8 | Very low | 26.3 | Very low | 75 Ų | 75 | 147.9 Ų | 147.9 | 77% | 0.773 | 77% | 0.771 | S | S | * | * | trans | 155.5 | 117.2 | 157.8 | 0 | 0 | 0 | 0 | 0 | 118.6 | ||||
| 786 | Q | 25.5 | Very low | 26.3 | Very low | 188 Ų | 188 | 147.1 Ų | 147.1 | 88% | 0.879 | 78% | 0.776 | S | S | * | * | trans | 41.4 | 126.7 | 144.7 | -78.4 | -179.8 | -14.6 | 0 | 0 | 124.1 | ||||
| 787 | C | 23.7 | Very low | 26.1 | Very low | 101 Ų | 101 | 145.4 Ų | 145.4 | 68% | 0.682 | 78% | 0.78 | S | S | * | * | trans | 87.9 | 154.7 | 136.8 | -65.5 | 0 | 0 | 0 | 0 | 122.3 | ||||
| 788 | F | 25.4 | Very low | 26.1 | Very low | 178 Ų | 178 | 145.2 Ų | 145.2 | 78% | 0.781 | 78% | 0.779 | S | S | * | * | trans | 65.5 | 107 | 170.3 | -60.6 | -71.7 | 0 | 0 | 0 | 120.3 | H790 | F788-H790 VanDerWaalsContact C-N 3.3Å; F788-H790 PolarHBondContact O-N 3.41Å | ||
| 789 | N | 22.7 | Very low | 26.5 | Very low | 170 Ų | 170 | 145.5 Ų | 145.5 | 91% | 0.909 | 78% | 0.783 | S | S | * | * | trans | -72.5 | 79.5 | 158.2 | -74.5 | -9.5 | 0 | 0 | 0 | 110.5 | ||||
| 790 | H | 24.2 | Very low | 26.5 | Very low | 160 Ų | 160 | 143.9 Ų | 143.9 | 74% | 0.741 | 78% | 0.779 | S | S | * | * | trans | -88.5 | 110.7 | 164.6 | -101.2 | -68.2 | 0 | 0 | 0 | 110.1 | F788 E792 | F788-H790 VanDerWaalsContact C-N 3.3Å; F788-H790 PolarHBondContact O-N 3.41Å; H790-E792 PolarHBondContact O-N 3.15Å | ||
| 791 | F | 22.9 | Very low | 26.4 | Very low | 191 Ų | 191 | 146.2 Ų | 146.2 | 84% | 0.838 | 78% | 0.781 | S | S | * | * | trans | -79.5 | 93.4 | 158.8 | -95.7 | -86.6 | 0 | 0 | 0 | 108.4 | ||||
| 792 | E | 22.5 | Very low | 26 | Very low | 172 Ų | 172 | 147.2 Ų | 147.2 | 80% | 0.804 | 78% | 0.78 | S | S | * | * | trans | -81.9 | 115.6 | 174.2 | -173.4 | 164.5 | -151.7 | 0 | 0 | 109.7 | H790 | H790-E792 PolarHBondContact O-N 3.15Š| ||
| 793 | F | 26.4 | Very low | 26.2 | Very low | 172 Ų | 172 | 143.9 Ų | 143.9 | 75% | 0.754 | 78% | 0.779 | S | S | * | * | P | Polyproline II helix | trans | -79.3 | 124.4 | 168.9 | -75 | -92.4 | 0 | 0 | 0 | 108.4 | S795 | F793-S795 PolarHBondContact O-N 3.35Š|
| 794 | P | 29.2 | Very low | 26.2 | Very low | 119 Ų | 119 | 143.7 Ų | 143.7 | 77% | 0.773 | 78% | 0.779 | S | S | * | * | P | Polyproline II helix | trans | -62 | 124.1 | -177.9 | 24.9 | -33.4 | 0 | 0 | 0 | 110.2 | V796 | P794-V796 PolarHBondContact O-N 2.88Š|
| 795 | S | 23.5 | Very low | 26.5 | Very low | 102 Ų | 102 | 145.5 Ų | 145.5 | 71% | 0.713 | 78% | 0.778 | S | S | * | * | P | Polyproline II helix | trans | -75.2 | 124.2 | 177.7 | -63.4 | 0 | 0 | 0 | 0 | 109.6 | F793 S797 | F793-S795 PolarHBondContact O-N 3.35Å; S795-S797 PolarHBondContact O-N 3.03Å |
| 796 | V | 27.6 | Very low | 26.7 | Very low | 129 Ų | 129 | 149 Ų | 149 | 78% | 0.782 | 78% | 0.778 | S | S | * | * | trans | -74.6 | 93.3 | 173.8 | -178.2 | 0 | 0 | 0 | 0 | 108.6 | P794 H798 | P794-V796 PolarHBondContact O-N 2.88Å; V796-H798 PolarHBondContact O-N 3.15Å | ||
| 797 | S | 27.2 | Very low | 26.8 | Very low | 105 Ų | 105 | 147.5 Ų | 147.5 | 73% | 0.734 | 78% | 0.777 | S | S | * | * | trans | -70.2 | 110 | 170.5 | 53.5 | 0 | 0 | 0 | 0 | 109.7 | S795 | S795-S797 PolarHBondContact O-N 3.03Š| ||
| 798 | H | 27.1 | Very low | 27.2 | Very low | 165 Ų | 165 | 146.2 Ų | 146.2 | 76% | 0.764 | 78% | 0.781 | S | S | * | * | P | Polyproline II helix | trans | -59.3 | 129.9 | 168.5 | -72.4 | -90.1 | 0 | 0 | 0 | 109.7 | V796 I800 | V796-H798 PolarHBondContact O-N 3.15Å; H798-I800 PolarHBondContact O-N 3.07Å |
| 799 | P | 34.3 | Very low | 27.4 | Very low | 110 Ų | 110 | 145.7 Ų | 145.7 | 71% | 0.714 | 79% | 0.786 | S | S | * | * | P | Polyproline II helix | trans | -69.2 | 122.8 | 168.9 | 28.6 | -32 | 0 | 0 | 0 | 109.1 | I801 | P799-I801 PolarHBondContact O-N 3.09Š|
| 800 | I | 26.5 | Very low | 27.5 | Very low | 147 Ų | 147 | 145.1 Ų | 145.1 | 75% | 0.754 | 78% | 0.782 | S | S | * | * | P | Polyproline II helix | trans | -66.7 | 124.6 | 168.8 | -66 | 166.6 | 0 | 0 | 0 | 107.6 | H798 D802 | H798-I800 PolarHBondContact O-N 3.07Å; I800-D802 HydrophobicContact CG2-CB 4Å |
| 801 | I | 28.4 | Very low | 27.7 | Very low | 161 Ų | 161 | 142.6 Ų | 142.6 | 83% | 0.826 | 78% | 0.782 | S | S | * | * | trans | -110.9 | 72.2 | 165.7 | -53.2 | -177.8 | 0 | 0 | 0 | 107.6 | P799 | P799-I801 PolarHBondContact O-N 3.09Š| ||
| 802 | D | 25.1 | Very low | 27.9 | Very low | 131 Ų | 131 | 140 Ų | 140 | 70% | 0.701 | 78% | 0.777 | S | S | * | * | trans | -97.6 | 116.6 | 153.9 | -93.2 | -53.5 | 0 | 0 | 0 | 107 | I800 | I800-D802 HydrophobicContact CG2-CB 4Š| ||
| 803 | N | 30.9 | Very low | 28 | Very low | 152 Ų | 152 | 138.7 Ų | 138.7 | 81% | 0.813 | 78% | 0.776 | S | S | * | * | trans | -154.8 | 87.9 | 160.9 | -112.2 | -19.1 | 0 | 0 | 0 | 108.4 | L805 | N803-L805 PolarHBondContact O-N 2.76Š| ||
| 804 | Q | 25.7 | Very low | 28.2 | Very low | 178 Ų | 178 | 136 Ų | 136 | 83% | 0.832 | 77% | 0.773 | S | S | * | * | trans | -65.9 | 124 | 158.4 | -60.5 | 175.8 | 7.7 | 0 | 0 | 107.6 | ||||
| 805 | L | 30.5 | Very low | 28.2 | Very low | 149 Ų | 149 | 136.3 Ų | 136.3 | 78% | 0.78 | 77% | 0.768 | S | S | * | * | trans | -170.3 | 102 | 152.2 | -107.5 | 166.2 | 0 | 0 | 0 | 111.3 | N803 | N803-L805 PolarHBondContact O-N 2.76Š| ||
| 806 | L | 30.9 | Very low | 28.6 | Very low | 148 Ų | 148 | 137.3 Ų | 137.3 | 78% | 0.775 | 77% | 0.766 | S | S | * | * | trans | 50.7 | 137 | 148.7 | -67.5 | 167.8 | 0 | 0 | 0 | 122.2 | ||||
| 807 | D | 28 | Very low | 28.6 | Very low | 158 Ų | 158 | 137.5 Ų | 137.5 | 85% | 0.845 | 76% | 0.762 | S | S | * | * | trans | -39.7 | 151.5 | 165.3 | -46.4 | -77.4 | 0 | 0 | 0 | 115.9 | ||||
| 808 | G | 31.7 | Very low | 28.8 | Very low | 74 Ų | 74 | 139 Ų | 139 | 76% | 0.763 | 76% | 0.762 | S | S | * | * | trans | -168.6 | -9.8 | 178.8 | 0 | 0 | 0 | 0 | 0 | 121.6 | ||||
| 809 | N | 30.3 | Very low | 28.8 | Very low | 167 Ų | 167 | 135.7 Ų | 135.7 | 89% | 0.893 | 76% | 0.758 | S | S | * | * | trans | 57.4 | 147.7 | 174.4 | -80.1 | -21.5 | 0 | 0 | 0 | 120.3 | ||||
| 810 | L | 24.4 | Very low | 28.5 | Very low | 158 Ų | 158 | 137.3 Ų | 137.3 | 83% | 0.827 | 76% | 0.759 | S | S | * | * | trans | -72.6 | 148.8 | 171.7 | -80.5 | 63.9 | 0 | 0 | 0 | 111.7 | ||||
| 811 | S | 28.6 | Very low | 28.5 | Very low | 106 Ų | 106 | 136.7 Ų | 136.7 | 74% | 0.741 | 76% | 0.756 | S | S | * | * | -176.7 | 128.9 | 103 | 39.9 | 0 | 0 | 0 | 0 | 115.7 | |||||
| 812 | N | 27.6 | Very low | 28.5 | Very low | 137 Ų | 137 | 135 Ų | 135 | 73% | 0.733 | 76% | 0.759 | S | S | * | * | trans | 50.9 | 118.8 | 139.9 | -60.8 | -7.5 | 0 | 0 | 0 | 122.3 | ||||
| 813 | N | 25.2 | Very low | 28.6 | Very low | 144 Ų | 144 | 135.2 Ų | 135.2 | 77% | 0.77 | 77% | 0.765 | S | S | * | * | 94.5 | 131.4 | 121.7 | -83.8 | -10.2 | 0 | 0 | 0 | 122.7 | |||||
| 814 | V | 29.4 | Very low | 28.4 | Very low | 116 Ų | 116 | 132.2 Ų | 132.2 | 70% | 0.703 | 76% | 0.761 | S | S | * | * | trans | 95.7 | 131.6 | 131.5 | 161.6 | 0 | 0 | 0 | 0 | 120.2 | ||||
| 815 | N | 30 | Very low | 28.7 | Very low | 126 Ų | 126 | 129.4 Ų | 129.4 | 67% | 0.674 | 76% | 0.761 | S | S | * | * | trans | 83.9 | 104.8 | 161.3 | -72.3 | -15.4 | 0 | 0 | 0 | 122.4 | ||||
| 816 | N | 30.6 | Very low | 28.7 | Very low | 123 Ų | 123 | 127.6 Ų | 127.6 | 66% | 0.658 | 76% | 0.761 | S | S | * | * | 85.2 | 114.9 | 116.1 | -60 | -8.4 | 0 | 0 | 0 | 122.8 | |||||
| 817 | N | 28.7 | Very low | 28.7 | Very low | 133 Ų | 133 | 124.3 Ų | 124.3 | 71% | 0.711 | 76% | 0.755 | S | S | * | * | 87.6 | 150.4 | 128 | -65.3 | 13.6 | 0 | 0 | 0 | 122.5 | |||||
| 818 | D | 31.6 | Very low | 28.6 | Very low | 137 Ų | 137 | 125.6 Ų | 125.6 | 73% | 0.733 | 76% | 0.756 | S | S | * | * | trans | 67.3 | 84.1 | 154.2 | -54 | -21.7 | 0 | 0 | 0 | 121.2 | ||||
| 819 | S | 26.3 | Very low | 28.6 | Very low | 95 Ų | 95 | 127.8 Ų | 127.8 | 66% | 0.664 | 76% | 0.76 | S | S | * | * | 22.9 | 133.8 | 97.3 | 109.6 | 0 | 0 | 0 | 0 | 116.8 | |||||
| 820 | L | 27.4 | Very low | 28.3 | Very low | 143 Ų | 143 | 129.9 Ų | 129.9 | 75% | 0.749 | 76% | 0.764 | S | S | * | * | cis | -161.2 | 156.1 | 27.9 | -86.5 | 142.2 | 0 | 0 | 0 | 113.2 | ||||
| 821 | I | 26.5 | Very low | 28.5 | Very low | 134 Ų | 134 | 133.1 Ų | 133.1 | 69% | 0.687 | 77% | 0.766 | S | S | * | * | trans | 53.5 | 122.7 | 142 | -63 | 170.2 | 0 | 0 | 0 | 120.9 | ||||
| 822 | S | 29.3 | Very low | 28.5 | Very low | 126 Ų | 126 | 134.8 Ų | 134.8 | 88% | 0.881 | 77% | 0.771 | S | S | * | * | -164.4 | 114.7 | 119.6 | -83.7 | 0 | 0 | 0 | 0 | 113.7 | |||||
| 823 | T | 26.6 | Very low | 28.4 | Very low | 135 Ų | 135 | 134.2 Ų | 134.2 | 83% | 0.828 | 77% | 0.772 | S | S | * | * | trans | -89 | 159.9 | -178.4 | 48.8 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 824 | A | 27.6 | Very low | 28.7 | Very low | 90 Ų | 90 | 135.2 Ų | 135.2 | 74% | 0.744 | 78% | 0.776 | S | S | * | * | -173.5 | 146 | 129.6 | 0 | 0 | 0 | 0 | 0 | 115.6 | |||||
| 825 | S | 30.8 | Very low | 28.5 | Very low | 119 Ų | 119 | 136 Ų | 136 | 83% | 0.832 | 78% | 0.777 | S | S | * | * | trans | 72.7 | 145.8 | 162.5 | 86 | 0 | 0 | 0 | 0 | 117.8 | ||||
| 826 | S | 30.9 | Very low | 28.2 | Very low | 111 Ų | 111 | 137.7 Ų | 137.7 | 78% | 0.776 | 79% | 0.785 | S | S | * | * | cis | -156.4 | 158.2 | -6.8 | -144.4 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 827 | A | 31.1 | Very low | 28 | Very low | 79 Ų | 79 | 136.4 Ų | 136.4 | 65% | 0.653 | 79% | 0.786 | S | S | * | * | trans | 45.6 | 120.3 | 148.7 | 0 | 0 | 0 | 0 | 0 | 123.1 | ||||
| 828 | E | 26.2 | Very low | 27.9 | Very low | 185 Ų | 185 | 136.9 Ų | 136.9 | 86% | 0.864 | 79% | 0.793 | S | S | * | * | 55.4 | 106.6 | 128.2 | -61.4 | 179.4 | 177.7 | 0 | 0 | 121.4 | |||||
| 829 | S | 31.1 | Very low | 27.6 | Very low | 120 Ų | 120 | 138 Ų | 138 | 84% | 0.839 | 79% | 0.794 | S | S | * | * | -161.1 | 127.9 | 128 | -82.9 | 0 | 0 | 0 | 0 | 111 | R831 | S829-R831 PolarHBondContact O-N 3.31Å; S829-R831 VanDerWaalsContact O-N 3.1Å | |||
| 830 | E | 25.3 | Very low | 27.5 | Very low | 211 Ų | 211 | 143.6 Ų | 143.6 | 99% | 0.986 | 80% | 0.801 | S | S | * | * | trans | -70.2 | 104.5 | 169.3 | -74.6 | -171.9 | 118.4 | 0 | 0 | 110.1 | ||||
| 831 | R | 28.2 | Very low | 27.6 | Very low | 226 Ų | 226 | 145 Ų | 145 | 85% | 0.853 | 80% | 0.801 | S | S | * | * | trans | -142 | 124.9 | 166 | -136.8 | 174.8 | -169.1 | 172.1 | 3.5 | 108.9 | S829 V833 | S829-R831 PolarHBondContact O-N 3.31Å; S829-R831 VanDerWaalsContact O-N 3.1Å; R831-V833 PolarHBondContact O-N 3.14Å | ||
| 832 | T | 28.5 | Very low | 27.4 | Very low | 140 Ų | 140 | 145.8 Ų | 145.8 | 86% | 0.859 | 80% | 0.802 | S | S | * | * | trans | -68.2 | 95.3 | 175.8 | 49.3 | 0 | 0 | 0 | 0 | 109.6 | I834 | T832-I834 PolarHBondContact O-N 2.9Š| ||
| 833 | V | 25.9 | Very low | 27.2 | Very low | 125 Ų | 125 | 145.1 Ų | 145.1 | 76% | 0.758 | 80% | 0.797 | S | S | * | * | trans | -66.1 | 123 | 165.9 | 178.8 | 0 | 0 | 0 | 0 | 107.7 | R831 | R831-V833 PolarHBondContact O-N 3.14Š| ||
| 834 | I | 29.9 | Very low | 27.5 | Very low | 166 Ų | 166 | 147 Ų | 147 | 85% | 0.851 | 80% | 0.798 | S | S | * | * | trans | -108.5 | 125.7 | 154.2 | -63.4 | -179.5 | 0 | 0 | 0 | 104.7 | T832 | T832-I834 PolarHBondContact O-N 2.9Š| ||
| 835 | D | 26.5 | Very low | 27.4 | Very low | 133 Ų | 133 | 150 Ų | 150 | 71% | 0.711 | 80% | 0.802 | S | S | * | * | trans | -78 | 153.1 | -161 | -157.9 | 1 | 0 | 0 | 0 | 113.1 | S837 | D835-S837 PolarHBondContact O-N 3.24Š| ||
| 836 | N | 23.9 | Very low | 27.2 | Very low | 160 Ų | 160 | 149.3 Ų | 149.3 | 86% | 0.856 | 80% | 0.797 | S | S | * | * | trans | -92.3 | 85.5 | -172.4 | -145.4 | 21.8 | 0 | 0 | 0 | 109.6 | ||||
| 837 | S | 25.2 | Very low | 27.1 | Very low | 97 Ų | 97 | 152.5 Ų | 152.5 | 68% | 0.678 | 80% | 0.8 | S | S | * | * | trans | -144.6 | 74.8 | -179.9 | -81.6 | 0 | 0 | 0 | 0 | 113.3 | D835 | D835-S837 PolarHBondContact O-N 3.24Š| ||
| 838 | V | 28 | Very low | 26.9 | Very low | 142 Ų | 142 | 156.6 Ų | 156.6 | 86% | 0.861 | 81% | 0.811 | S | S | * | * | trans | -131.1 | 107.4 | 152.5 | -179.3 | 0 | 0 | 0 | 0 | 108 | ||||
| 839 | H | 25 | Very low | 27.1 | Very low | 162 Ų | 162 | 154.9 Ų | 154.9 | 75% | 0.75 | 80% | 0.803 | S | S | * | * | trans | -68.2 | 144.9 | 168.1 | -88.8 | -115.6 | 0 | 0 | 0 | 110.6 | F841 | H839-F841 PolarHBondContact O-N 2.8Š| ||
| 840 | R | 24.2 | Very low | 27.1 | Very low | 211 Ų | 211 | 153.9 Ų | 153.9 | 80% | 0.796 | 80% | 0.796 | S | S | * | * | trans | 3.5 | 107.7 | 139.2 | -173.7 | -169.3 | -152.1 | 153.7 | 7.7 | 114.8 | ||||
| 841 | F | 28.2 | Very low | 27.5 | Very low | 172 Ų | 172 | 148 Ų | 148 | 75% | 0.754 | 78% | 0.778 | S | S | * | * | trans | -130.5 | 98.4 | 164 | -102.6 | -79.5 | 0 | 0 | 0 | 110.7 | H839 | H839-F841 PolarHBondContact O-N 2.8Š| ||
| 842 | E | 23.1 | Very low | 27.7 | Very low | 151 Ų | 151 | 142.5 Ų | 142.5 | 71% | 0.706 | 77% | 0.765 | S | S | * | * | trans | -84 | 147.6 | 146.7 | -67 | 161.6 | 110.7 | 0 | 0 | 107 | ||||
| 843 | S | 25.4 | Very low | 27.8 | Very low | 112 Ų | 112 | 143.2 Ų | 143.2 | 78% | 0.783 | 76% | 0.76 | S | S | * | * | trans | 50.9 | 112.8 | 168.4 | -60.3 | 0 | 0 | 0 | 0 | 119.3 | ||||
| 844 | M | 31.7 | Very low | 28.4 | Very low | 174 Ų | 174 | 146.8 Ų | 146.8 | 86% | 0.857 | 76% | 0.76 | S | S | * | * | -159.8 | 132.1 | 128.8 | -113.9 | 163.8 | 61.7 | 0 | 0 | 111.3 | |||||
| 845 | D | 27.1 | Very low | 28.8 | Very low | 154 Ų | 154 | 140.2 Ų | 140.2 | 82% | 0.824 | 73% | 0.728 | S | S | * | * | trans | -77.5 | 163.9 | 174 | -96.5 | -58.9 | 0 | 0 | 0 | 112.8 | ||||
| 846 | S | 26.7 | Very low | 29.4 | Very low | 104 Ų | 104 | 138.9 Ų | 138.9 | 73% | 0.727 | 72% | 0.721 | S | S | * | * | trans | 89.8 | 141.5 | 158.5 | 81.3 | 0 | 0 | 0 | 0 | 120.6 | ||||
| 847 | Q | 27.2 | Very low | 30.5 | Very low | 179 Ų | 179 | 135 Ų | 135 | 84% | 0.836 | 71% | 0.706 | S | S | * | * | trans | 84.4 | 101.4 | 162.4 | -51.3 | -161.7 | -5.6 | 0 | 0 | 118.5 | ||||
| 848 | D | 28.1 | Very low | 31.8 | Very low | 164 Ų | 164 | 132.6 Ų | 132.6 | 88% | 0.877 | 69% | 0.685 | S | S | * | * | trans | -62.5 | 126.1 | 167.5 | -57.6 | -85.1 | 0 | 0 | 0 | 112.7 | ||||
| 849 | E | 30.3 | Very low | 33 | Very low | 149 Ų | 149 | 127.9 Ų | 127.9 | 70% | 0.696 | 66% | 0.659 | S | S | * | * | trans | -176.5 | -37.9 | 158.5 | -111.4 | -70.8 | 98 | 0 | 0 | 110.2 | S851 L852 | E849-S851 PolarHBondContact O-N 2.87Å; E849-L852 PolarHBondContact O-N 3.45Å | ||
| 850 | S | 30.3 | Very low | 34.3 | Very low | 99 Ų | 99 | 125.1 Ų | 125.1 | 69% | 0.692 | 65% | 0.653 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -64.4 | -16.2 | -169.1 | 71.3 | 0 | 0 | 0 | 0 | 116.3 | L852 | S850-L852 PolarHBondContact O-N 3.06Š|
| 851 | S | 33.9 | Very low | 36 | Very low | 88 Ų | 88 | 119.3 Ų | 119.3 | 62% | 0.615 | 64% | 0.641 | S | S | * | * | H | α-helix | trans | -69.4 | -31.9 | -176.9 | -161 | 0 | 0 | 0 | 0 | 113.3 | E849 M853 R854 T855 | E849-S851 PolarHBondContact O-N 2.87Å; S851-M853 PolarHBondContact O-N 3.28Å; S851-R854 PolarHBondContact O-N 3.33Å; S851-T855 PolarHBondContact O-N 3.39Å; S851-T855 PolarHBondContact O-OG1 2.96Å |
| 852 | L | 32 | Very low | 38 | Very low | 110 Ų | 110 | 111.2 Ų | 111.2 | 58% | 0.576 | 61% | 0.605 | S | S | * | * | H | α-helix | trans | -73.1 | -25.4 | -175.4 | -72.5 | 167.3 | 0 | 0 | 0 | 113.9 | E849 S850 T855 N856 | E849-L852 PolarHBondContact O-N 3.45Å; S850-L852 PolarHBondContact O-N 3.06Å; L852-T855 PolarHBondContact O-OG1 3.04Å; L852-N856 PolarHBondContact O-ND2 3.36Å |
| 853 | M | 31.9 | Very low | 40.3 | Very low | 155 Ų | 155 | 111.5 Ų | 111.5 | 76% | 0.764 | 60% | 0.604 | S | S | * | * | H | α-helix | trans | -79.4 | -32.9 | 175.6 | -79.2 | -159.9 | 168.7 | 0 | 0 | 113.5 | S851 S857 | S851-M853 PolarHBondContact O-N 3.28Å; M853-S857 PolarHBondContact O-N 2.95Å; M853-S857 PolarHBondContact O-OG 2.84Å |
| 854 | R | 38.4 | Very low | 42.8 | Very low | 201 Ų | 201 | 114.7 Ų | 114.7 | 76% | 0.758 | 61% | 0.607 | S | S | * | * | H | α-helix | trans | -69.8 | -43.2 | 178.3 | -76.9 | -174.7 | 171.4 | 179 | -0.4 | 112.3 | S851 N856 S857 I858 | S851-R854 PolarHBondContact O-N 3.33Å; R854-N856 PolarHBondContact O-N 2.95Å; R854-S857 WeakPolarHBondContact O-CB 3.47Å; R854-S857 PolarHBondContact O-N 2.86Å; R854-I858 PolarHBondContact O-N 3.15Å |
| 855 | T | 37.8 | Very low | 45.4 | Very low | 27 Ų | 27 | 110.7 Ų | 110.7 | 17% | 0.166 | 58% | 0.582 | C | S | . | * | H | α-helix | trans | -63.6 | -38.3 | 178.9 | 42.9 | 0 | 0 | 0 | 0 | 112.9 | S851 L852 S859 | S851-T855 PolarHBondContact O-N 3.39Å; S851-T855 PolarHBondContact O-OG1 2.96Å; L852-T855 PolarHBondContact O-OG1 3.04Å; T855-S859 PolarHBondContact O-N 2.9Å; T855-S859 PolarHBondContact O-OG 2.89Å |
| 856 | N | 38.4 | Very low | 48.4 | Very low | 106 Ų | 106 | 105.9 Ų | 105.9 | 57% | 0.567 | 56% | 0.556 | S | S | * | * | H | α-helix | trans | -64.9 | -39.5 | 172.2 | -81.8 | -48 | 0 | 0 | 0 | 112.6 | L852 R854 I858 S859 V860 | L852-N856 PolarHBondContact O-ND2 3.36Å; R854-N856 PolarHBondContact O-N 2.95Å; N856-I858 PolarHBondContact O-N 3.14Å; N856-S859 PolarHBondContact O-N 3.37Å; N856-S859 VanDerWaalsContact O-N 3.16Å; N856-V860 PolarHBondContact O-N 2.98Å; N856-V860 VanDerWaalsContact O-N 3.17Å |
| 857 | S | 47.5 | Very low | 51.5 | Low | 77 Ų | 77 | 101.2 Ų | 101.2 | 54% | 0.538 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -64.6 | -38.8 | -179.4 | -59.8 | 0 | 0 | 0 | 0 | 113.2 | M853 R854 V860 T861 | M853-S857 PolarHBondContact O-N 2.95Å; M853-S857 PolarHBondContact O-OG 2.84Å; R854-S857 WeakPolarHBondContact O-CB 3.47Å; R854-S857 PolarHBondContact O-N 2.86Å; S857-V860 PolarHBondContact O-N 3.19Å; S857-T861 PolarHBondContact O-N 3.05Å; S857-T861 PolarHBondContact O-OG1 3.24Å; S857-T861 VanDerWaalsContact O-OG1 3.08Å |
| 858 | I | 53.5 | Low | 54.5 | Low | 48 Ų | 48 | 94.3 Ų | 94.3 | 25% | 0.246 | 49% | 0.494 | C | S | . | . | H | α-helix | trans | -64.7 | -42.2 | 172.9 | -66.7 | 168.6 | 0 | 0 | 0 | 110.2 | R854 N856 V860 T861 L862 A921 | R854-I858 PolarHBondContact O-N 3.15Å; N856-I858 PolarHBondContact O-N 3.14Å; I858-V860 PolarHBondContact O-N 3.07Å; I858-T861 PolarHBondContact O-N 2.79Å; I858-T861 PolarHBondContact O-OG1 2.83Å; I858-L862 HydrophobicContact CG2-CD1 3.55Å; I858-L862 HydrophobicContact CG2-CG 4.15Å; I858-L862 PolarHBondContact O-N 2.95Å; I858-L862 VanDerWaalsContact O-N 3.07Å; I858-A921 HydrophobicContact CG2-CB 4.37Å |
| 859 | S | 51.7 | Low | 57.4 | Low | 43 Ų | 43 | 88 Ų | 88 | 30% | 0.301 | 46% | 0.459 | S | S | . | . | H | α-helix | trans | -68.6 | -18.3 | -177.7 | -54.3 | 0 | 0 | 0 | 0 | 114.1 | T855 N856 | T855-S859 PolarHBondContact O-N 2.9Å; T855-S859 PolarHBondContact O-OG 2.89Å; N856-S859 PolarHBondContact O-N 3.37Å; N856-S859 VanDerWaalsContact O-N 3.16Å |
| 860 | V | 53.4 | Low | 60.3 | Low | 104 Ų | 104 | 87.9 Ų | 87.9 | 63% | 0.63 | 46% | 0.459 | S | S | * | . | H | α-helix | trans | -83.6 | -40.3 | 172.3 | 174 | 0 | 0 | 0 | 0 | 111.5 | N856 S857 I858 | N856-V860 PolarHBondContact O-N 2.98Å; N856-V860 VanDerWaalsContact O-N 3.17Å; S857-V860 PolarHBondContact O-N 3.19Å; I858-V860 PolarHBondContact O-N 3.07Å |
| 861 | T | 60.3 | Low | 63.3 | Low | 88 Ų | 88 | 87.2 Ų | 87.2 | 54% | 0.54 | 45% | 0.448 | S | S | . | . | H | α-helix | trans | -79 | -27.1 | -175.8 | 40.5 | 0 | 0 | 0 | 0 | 113.9 | S857 I858 K863 | S857-T861 PolarHBondContact O-N 3.05Å; S857-T861 PolarHBondContact O-OG1 3.24Å; S857-T861 VanDerWaalsContact O-OG1 3.08Å; I858-T861 PolarHBondContact O-N 2.79Å; I858-T861 PolarHBondContact O-OG1 2.83Å; T861-K863 VanDerWaalsContact C-N 3.35Å; T861-K863 PolarHBondContact O-N 2.82Å |
| 862 | L | 69.5 | Low | 66.2 | Low | 2 Ų | 2 | 83.8 Ų | 83.8 | 1% | 0.01 | 42% | 0.422 | C | S | . | . | G | 310 helix | trans | -80.4 | -6.9 | 178.2 | -67.9 | 178.4 | 0 | 0 | 0 | 114.8 | I858 E864 W865 D866 V920 H924 M939 | I858-L862 HydrophobicContact CG2-CD1 3.55Å; I858-L862 HydrophobicContact CG2-CG 4.15Å; I858-L862 PolarHBondContact O-N 2.95Å; I858-L862 VanDerWaalsContact O-N 3.07Å; L862-E864 PolarHBondContact O-N 3Å; L862-W865 CarbonylContact O-C 3.55Å; L862-W865 WeakPolarHBondContact O-CA 3.48Å; L862-W865 WeakPolarHBondContact O-CB 3.14Å; L862-W865 PolarHBondContact O-N 3.47Å; L862-D866 PolarHBondContact O-N 3.18Å; L862-V920 HydrophobicContact CD1-CB 4.35Å; L862-V920 HydrophobicContact CD1-CG1 3.7Å; L862-V920 HydrophobicContact CD2-CG1 3.91Å; L862-V920 HydrophobicContact CG-CG1 4.41Å; L862-H924 HydrophobicContact CD2-CB 4.13Å; L862-M939 HydrophobicContact CB-SD 3.57Å; L862-M939 VanDerWaalsContact CB-SD 3.57Å; L862-M939 HydrophobicContact CD1-CE 3.97Å; L862-M939 HydrophobicContact CD1-SD 3.93Å; L862-M939 HydrophobicContact CG-SD 4.43Å |
| 863 | K | 70.7 | Confident | 69.2 | Low | 158 Ų | 158 | 86.2 Ų | 86.2 | 69% | 0.687 | 43% | 0.429 | S | S | * | . | G | 310 helix | trans | -61 | -26.2 | -178.2 | -82.3 | -176.9 | 177.2 | -178 | 0 | 115 | T861 W865 | T861-K863 VanDerWaalsContact C-N 3.35Å; T861-K863 PolarHBondContact O-N 2.82Å; K863-W865 PolarHBondContact O-N 3.44Å |
| 864 | E | 78.4 | Confident | 72.2 | Confident | 178 Ų | 178 | 82 Ų | 82 | 83% | 0.832 | 41% | 0.409 | S | S | * | . | G | 310 helix | trans | -71 | -12.9 | 174.6 | -59.5 | -170.3 | 157.5 | 0 | 0 | 112.8 | L862 | L862-E864 PolarHBondContact O-N 3Š|
| 865 | W | 85.7 | Confident | 74.9 | Confident | 91 Ų | 91 | 74.3 Ų | 74.3 | 35% | 0.345 | 39% | 0.392 | S | S | . | . | G | 310 helix | trans | -116.3 | 4 | -177.7 | -55.8 | 91.3 | 0 | 0 | 0 | 113 | L862 K863 I867 H924 F934 G936 A937 | L862-W865 CarbonylContact O-C 3.55Å; L862-W865 WeakPolarHBondContact O-CA 3.48Å; L862-W865 WeakPolarHBondContact O-CB 3.14Å; L862-W865 PolarHBondContact O-N 3.47Å; K863-W865 PolarHBondContact O-N 3.44Å; W865-I867 PolarHBondContact O-N 2.74Å; W865-H924 AromaticContact CE2-CD2 3.84Å; W865-H924 AromaticContact NE1-CD2 3.45Å; W865-H924 PolarHBondContact NE1-CD2 3.04Å; W865-H924 AromaticContact NE1-NE2 3.93Å; W865-F934 HydrophobicContact CB-CE1 3.99Å; W865-F934 HydrophobicContact CB-CZ 4.29Å; W865-F934 HydrophobicContact CD2-CD1 4.36Å; W865-F934 AromaticContact CD2-CE1 3.78Å; W865-F934 HydrophobicContact CD2-CE1 3.78Å; W865-F934 AromaticContact CE3-CD1 3.88Å; W865-F934 HydrophobicContact CE3-CD1 3.88Å; W865-F934 AromaticContact CE3-CE1 3.6Å; W865-F934 HydrophobicContact CE3-CE1 3.6Å; W865-F934 AromaticContact CG-CE1 3.96Å; W865-F934 HydrophobicContact CG-CE1 3.96Å; W865-F934 HydrophobicContact CZ3-CD1 4.16Å; W865-F934 HydrophobicContact CZ3-CE1 4.34Å; W865-G936 CarbonylContact O-C 3.23Å; W865-G936 VanDerWaalsContact O-CA 3.31Å; W865-G936 WeakPolarHBondContact O-CA 3.29Å; W865-A937 PolarHBondContact O-N 3.02Å |
| 866 | D | 90 | Very high | 77.6 | Confident | 52 Ų | 52 | 78.1 Ų | 78.1 | 28% | 0.278 | 41% | 0.408 | S | S | . | . | B | Isolated β-bridge | trans | -71.8 | 111.3 | 174.8 | -174.8 | 41.2 | 0 | 0 | 0 | 109.7 | L862 A937 M939 | L862-D866 PolarHBondContact O-N 3.18Å; D866-A937 CarbonylContact C-O 3.35Å; D866-A937 VanDerWaalsContact CA-O 3.29Å; D866-A937 WeakPolarHBondContact CA-O 3.41Å; D866-M939 WeakPolarHBondContact OD1-CB 3.4Å; D866-M939 PolarHBondContact OD1-N 2.7Å |
| 867 | I | 92.3 | Very high | 80.3 | Confident | 6 Ų | 6 | 77.5 Ų | 77.5 | 3% | 0.031 | 40% | 0.403 | C | S | . | . | trans | -96.4 | 118.7 | 175.9 | -61.1 | 173.4 | 0 | 0 | 0 | 107.7 | W865 M869 L872 W891 A937 C938 V947 | W865-I867 PolarHBondContact O-N 2.74Å; I867-M869 PolarHBondContact O-N 3.31Å; I867-L872 HydrophobicContact CG2-CD1 4.4Å; I867-L872 HydrophobicContact CG2-CD2 3.83Å; I867-L872 HydrophobicContact CG2-CG 3.97Å; I867-W891 HydrophobicContact CD1-CD2 3.99Å; I867-W891 HydrophobicContact CD1-CE3 3.98Å; I867-W891 HydrophobicContact CD1-CH2 3.75Å; I867-W891 HydrophobicContact CD1-CZ2 3.76Å; I867-W891 HydrophobicContact CD1-CZ3 3.87Å; I867-W891 HydrophobicContact CG1-CH2 4.12Å; I867-W891 HydrophobicContact CG1-CZ2 3.81Å; I867-W891 HydrophobicContact CG2-CZ2 4.43Å; I867-A937 PolarHBondContact N-O 2.98Å; I867-C938 WeakPolarHBondContact O-CA 3.34Å; I867-C938 PolarHBondContact O-SG 3.43Å; I867-V947 HydrophobicContact CD1-CB 3.91Å; I867-V947 HydrophobicContact CD1-CG1 4.21Å; I867-V947 HydrophobicContact CD1-CG2 3.88Å | ||
| 868 | P | 90.2 | Very high | 82.3 | Confident | 35 Ų | 35 | 78.2 Ų | 78.2 | 23% | 0.227 | 40% | 0.4 | C | S | . | . | trans | -64.4 | 126.9 | 172.3 | -16.2 | 28.7 | 0 | 0 | 0 | 109.9 | E870 N871 | P868-E870 VanDerWaalsContact C-OE2 3.24Å; P868-E870 WeakPolarHBondContact CA-OE2 3.41Å; P868-E870 HydrophobicContact CB-CG 4.01Å; P868-E870 WeakPolarHBondContact CB-OE1 3.48Å; P868-E870 WeakPolarHBondContact CB-OE2 3.5Å; P868-E870 PolarHBondContact O-N 3.47Å; P868-E870 VanDerWaalsContact O-N 3.14Å; P868-N871 WeakPolarHBondContact CB-ND2 3.4Å; P868-N871 WeakPolarHBondContact CG-ND2 3.24Å; P868-N871 WeakPolarHBondContact O-CB 3.49Å; P868-N871 PolarHBondContact O-N 2.94Å | ||
| 869 | M | 89.8 | Confident | 83.7 | Confident | 30 Ų | 30 | 77.3 Ų | 77.3 | 15% | 0.148 | 40% | 0.403 | C | S | . | . | G | 310 helix | trans | -56.6 | -31.3 | -175 | -176.8 | 64.8 | 102.1 | 0 | 0 | 112.1 | I867 N871 L872 I874 R899 D943 A945 | I867-M869 PolarHBondContact O-N 3.31Å; M869-N871 PolarHBondContact O-N 3.14Å; M869-N871 VanDerWaalsContact O-N 3.14Å; M869-L872 WeakPolarHBondContact O-CB 3.43Å; M869-L872 PolarHBondContact O-N 3.28Å; M869-L872 HydrophobicContact SD-CB 4.43Å; M869-L872 HydrophobicContact SD-CD1 3.92Å; M869-I874 HydrophobicContact CE-CD1 4.4Å; M869-I874 HydrophobicContact SD-CD1 3.92Å; M869-R899 HydrophobicContact CE-CG 4.37Å; M869-D943 HydrophobicContact CB-CB 4.31Å; M869-D943 HydrophobicContact CE-CB 3.73Å; M869-D943 HydrophobicContact CG-CB 4.12Å; M869-A945 HydrophobicContact CE-CB 4Å |
| 870 | E | 90.9 | Very high | 85.1 | Confident | 147 Ų | 147 | 84.1 Ų | 84.1 | 69% | 0.687 | 42% | 0.422 | S | S | * | . | G | 310 helix | trans | -60.9 | -16.1 | 174 | 62.2 | -91.7 | -143.2 | 0 | 0 | 114.7 | P868 | P868-E870 VanDerWaalsContact C-OE2 3.24Å; P868-E870 WeakPolarHBondContact CA-OE2 3.41Å; P868-E870 HydrophobicContact CB-CG 4.01Å; P868-E870 WeakPolarHBondContact CB-OE1 3.48Å; P868-E870 WeakPolarHBondContact CB-OE2 3.5Å; P868-E870 PolarHBondContact O-N 3.47Å; P868-E870 VanDerWaalsContact O-N 3.14Å |
| 871 | N | 92.8 | Very high | 85.8 | Confident | 86 Ų | 86 | 81.5 Ų | 81.5 | 46% | 0.46 | 42% | 0.415 | S | S | . | . | G | 310 helix | trans | -93.5 | -4.6 | 173.6 | -63.4 | -59.3 | 0 | 0 | 0 | 113.5 | P868 M869 | P868-N871 WeakPolarHBondContact CB-ND2 3.4Å; P868-N871 WeakPolarHBondContact CG-ND2 3.24Å; P868-N871 WeakPolarHBondContact O-CB 3.49Å; P868-N871 PolarHBondContact O-N 2.94Å; M869-N871 PolarHBondContact O-N 3.14Å; M869-N871 VanDerWaalsContact O-N 3.14Å |
| 872 | L | 94.4 | Very high | 85.9 | Confident | 15 Ų | 15 | 82.4 Ų | 82.4 | 8% | 0.079 | 42% | 0.421 | C | S | . | . | trans | -96.7 | 120.1 | 179.2 | -64.4 | -176.8 | 0 | 0 | 0 | 110.8 | I867 M869 I874 W891 I897 C938 V947 | I867-L872 HydrophobicContact CG2-CD1 4.4Å; I867-L872 HydrophobicContact CG2-CD2 3.83Å; I867-L872 HydrophobicContact CG2-CG 3.97Å; M869-L872 WeakPolarHBondContact O-CB 3.43Å; M869-L872 PolarHBondContact O-N 3.28Å; M869-L872 HydrophobicContact SD-CB 4.43Å; M869-L872 HydrophobicContact SD-CD1 3.92Å; L872-I874 PolarHBondContact O-N 3.46Å; L872-W891 HydrophobicContact CD2-CB 3.6Å; L872-W891 HydrophobicContact CD2-CG 3.72Å; L872-I897 HydrophobicContact CB-CD1 4.08Å; L872-I897 HydrophobicContact CD1-CD1 4.09Å; L872-I897 HydrophobicContact CD1-CG1 4.5Å; L872-I897 HydrophobicContact CD1-CG2 4.27Å; L872-I897 HydrophobicContact CD2-CD1 4.39Å; L872-I897 HydrophobicContact CG-CD1 4.44Å; L872-C938 WeakPolarHBondContact CD1-SG 3.46Å; L872-V947 HydrophobicContact CD1-CG2 3.75Å; L872-V947 HydrophobicContact CD2-CG2 4.2Å | ||
| 873 | F | 96 | Very high | 85.6 | Confident | 161 Ų | 161 | 84.2 Ų | 84.2 | 71% | 0.706 | 43% | 0.429 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -81.7 | 108.7 | 163.4 | -77.6 | -88.7 | 0 | 0 | 0 | 109 | G889 K890 | F873-G889 CarbonylContact O-C 3.56Å; F873-G889 WeakPolarHBondContact O-CA 3.26Å; F873-K890 HydrophobicContact CB-CB 4.22Å; F873-K890 PolarHBondContact N-O 3.07Å; F873-K890 PolarHBondContact O-N 2.88Å |
| 874 | I | 94.8 | Very high | 86 | Confident | 68 Ų | 68 | 77 Ų | 77 | 35% | 0.349 | 40% | 0.4 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.8 | 130.7 | 174 | -53.2 | 179.2 | 0 | 0 | 0 | 109 | M869 L872 Y887 I897 | M869-I874 HydrophobicContact CE-CD1 4.4Å; M869-I874 HydrophobicContact SD-CD1 3.92Å; L872-I874 PolarHBondContact O-N 3.46Å; I874-Y887 HydrophobicContact CG2-CD1 3.49Å; I874-Y887 VanDerWaalsContact CG2-CD1 3.49Å; I874-Y887 HydrophobicContact CG2-CD2 4.29Å; I874-Y887 HydrophobicContact CG2-CE1 4.18Å; I874-Y887 HydrophobicContact CG2-CG 3.55Å; I874-I897 HydrophobicContact CG1-CD1 4.06Å |
| 875 | G | 94.6 | Very high | 86.5 | Confident | 39 Ų | 39 | 68.5 Ų | 68.5 | 40% | 0.402 | 36% | 0.36 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.2 | -141.3 | 179.6 | 0 | 0 | 0 | 0 | 0 | 112.6 | R888 | G875-R888 WeakPolarHBondContact CA-O 3.5Å; G875-R888 PolarHBondContact N-O 3.11Å |
| 876 | E | 94.9 | Very high | 86.8 | Confident | 106 Ų | 106 | 66 Ų | 66 | 50% | 0.495 | 35% | 0.354 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -64 | 151.6 | -179.5 | 65.2 | -88.1 | -152.2 | 0 | 0 | 113.6 | I878 Y887 R888 | E876-I878 PolarHBondContact O-N 2.85Å; E876-Y887 CarbonylContact O-C 3.55Å; E876-Y887 WeakPolarHBondContact O-CA 3.5Å; E876-R888 VanDerWaalsContact CD-CD 3.45Å; E876-R888 HydrophobicContact CG-CB 4.19Å; E876-R888 PolarHBondContact O-N 2.95Å; E876-R888 WeakPolarHBondContact OE1-CD 3.41Å; E876-R888 IonicContact OE1-CZ 2.76Å; E876-R888 IonicContact OE1-NE 3.3Å; E876-R888 IonicContact OE1-NH1 2.68Å; E876-R888 PolarHBondContact OE1-NH1 3.08Å |
| 877 | I | 94.4 | Very high | 87 | Confident | 93 Ų | 93 | 65.7 Ų | 65.7 | 48% | 0.477 | 35% | 0.35 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.9 | 125.1 | 170.9 | -65 | 171.5 | 0 | 0 | 0 | 108.4 | T885 Y887 | I877-T885 HydrophobicContact CB-CG2 4.38Å; I877-T885 HydrophobicContact CD1-CG2 3.89Å; I877-T885 HydrophobicContact CG1-CG2 3.78Å; I877-T885 HydrophobicContact CG2-CG2 3.76Å; I877-Y887 HydrophobicContact CD1-CE1 4.14Å; I877-Y887 HydrophobicContact CG1-CD1 3.73Å; I877-Y887 HydrophobicContact CG1-CE1 3.49Å; I877-Y887 VanDerWaalsContact CG1-CE1 3.49Å |
| 878 | I | 89.6 | Confident | 87.2 | Confident | 92 Ų | 92 | 69.7 Ų | 69.7 | 47% | 0.472 | 36% | 0.364 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.3 | -38.1 | 171.2 | -62.3 | 167.7 | 0 | 0 | 0 | 109.8 | E876 V886 R888 L950 | E876-I878 PolarHBondContact O-N 2.85Å; I878-V886 HydrophobicContact CB-CG1 4.42Å; I878-V886 HydrophobicContact CD1-CG1 4.49Å; I878-V886 PolarHBondContact N-O 2.86Å; I878-R888 HydrophobicContact CD1-CB 3.82Å; I878-R888 HydrophobicContact CD1-CG 4.4Å; I878-R888 HydrophobicContact CG1-CB 3.94Å; I878-L950 HydrophobicContact CD1-CD1 3.48Å; I878-L950 VanDerWaalsContact CD1-CD1 3.48Å |
| 879 | G | 83.7 | Confident | 87.5 | Confident | 29 Ų | 29 | 68.2 Ų | 68.2 | 30% | 0.299 | 36% | 0.355 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -173.6 | 161.5 | 175.9 | 0 | 0 | 0 | 0 | 0 | 113.5 | V886 | G879-V886 PolarHBondContact N-O 3.3Å; G879-V886 PolarHBondContact O-N 3.46Å |
| 880 | R | 80.2 | Confident | 87.8 | Confident | 187 Ų | 187 | 73.1 Ų | 73.1 | 71% | 0.706 | 38% | 0.376 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -106.3 | 133.6 | 166.5 | -94.7 | -177.2 | 169.6 | -179.2 | -4.9 | 109.9 | T885 | R880-T885 HydrophobicContact CG-CG2 3.99Å; R880-T885 VanDerWaalsContact CG-OG1 3.28Å; R880-T885 WeakPolarHBondContact CG-OG1 3.43Å; R880-T885 PolarHBondContact NE-OG1 3.19Å |
| 881 | G | 68.8 | Low | 87.9 | Confident | 48 Ų | 48 | 69.2 Ų | 69.2 | 50% | 0.495 | 36% | 0.355 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.3 | 174.7 | 175.2 | 0 | 0 | 0 | 0 | 0 | 111.7 | F883 G884 | G881-F883 PolarHBondContact O-N 3.47Å; G881-G884 PolarHBondContact N-O 3.3Å; G881-G884 PolarHBondContact O-N 2.86Å |
| 882 | T | 61.5 | Low | 87.8 | Confident | 107 Ų | 107 | 73.9 Ų | 73.9 | 66% | 0.656 | 37% | 0.374 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.8 | -6.6 | 178 | 49 | 0 | 0 | 0 | 0 | 114.2 | R1021 | T882-R1021 PolarHBondContact O-NH1 3.05Š|
| 883 | F | 64.8 | Low | 87.7 | Confident | 40 Ų | 40 | 75.2 Ų | 75.2 | 18% | 0.175 | 39% | 0.392 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -109 | 6.5 | 176.2 | -61.6 | -79.3 | 0 | 0 | 0 | 113.3 | G881 V1016 R1021 | G881-F883 PolarHBondContact O-N 3.47Å; F883-V1016 HydrophobicContact CD1-CG1 3.97Å; F883-V1016 HydrophobicContact CE1-CG1 3.53Å; F883-V1016 HydrophobicContact CE2-CG1 4.44Å; F883-V1016 HydrophobicContact CZ-CG1 3.8Å; F883-V1016 WeakPolarHBondContact CZ-O 3.32Å; F883-R1021 VanDerWaalsContact CD1-NH1 3.26Å |
| 884 | G | 78.9 | Confident | 87.7 | Confident | 7 Ų | 7 | 70.2 Ų | 70.2 | 7% | 0.072 | 37% | 0.37 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 118.9 | -164.9 | 178.3 | 0 | 0 | 0 | 0 | 0 | 113.4 | G881 R899 D901 | G881-G884 PolarHBondContact N-O 3.3Å; G881-G884 PolarHBondContact O-N 2.86Å; G884-R899 CarbonylContact C-O 3.47Å; G884-R899 WeakPolarHBondContact CA-O 3.39Å; G884-D901 VanDerWaalsContact C-OD2 3.3Å; G884-D901 VanDerWaalsContact CA-OD2 3.25Å; G884-D901 WeakPolarHBondContact CA-OD2 3.48Å |
| 885 | T | 88.9 | Confident | 87.7 | Confident | 0 Ų | 0 | 67 Ų | 67 | 0% | 0 | 35% | 0.354 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.7 | 126.5 | -174.1 | -57.6 | 0 | 0 | 0 | 0 | 111.4 | I877 R880 Y887 R899 D901 | I877-T885 HydrophobicContact CB-CG2 4.38Å; I877-T885 HydrophobicContact CD1-CG2 3.89Å; I877-T885 HydrophobicContact CG1-CG2 3.78Å; I877-T885 HydrophobicContact CG2-CG2 3.76Å; R880-T885 HydrophobicContact CG-CG2 3.99Å; R880-T885 VanDerWaalsContact CG-OG1 3.28Å; R880-T885 WeakPolarHBondContact CG-OG1 3.43Å; R880-T885 PolarHBondContact NE-OG1 3.19Å; T885-Y887 HydrophobicContact CG2-CD2 4.04Å; T885-Y887 HydrophobicContact CG2-CE1 4.09Å; T885-Y887 HydrophobicContact CG2-CE2 3.44Å; T885-Y887 VanDerWaalsContact CG2-CE2 3.44Å; T885-Y887 VanDerWaalsContact CG2-CZ 3.47Å; T885-Y887 WeakPolarHBondContact O-CD2 3.42Å; T885-Y887 WeakPolarHBondContact O-CE2 3.41Å; T885-R899 PolarHBondContact N-O 3.19Å; T885-R899 VanDerWaalsContact N-O 3.14Å; T885-R899 PolarHBondContact O-N 3.29Å; T885-D901 PolarHBondContact N-OD2 3.14Å; T885-D901 PolarHBondContact OG1-OD1 3.5Å; T885-D901 PolarHBondContact OG1-OD2 3.06Å |
| 886 | V | 91.7 | Very high | 87.8 | Confident | 38 Ų | 38 | 65.7 Ų | 65.7 | 23% | 0.23 | 34% | 0.339 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.5 | 119.3 | 174.6 | -175.7 | 0 | 0 | 0 | 0 | 109.5 | I878 G879 A896 I897 K898 | I878-V886 HydrophobicContact CB-CG1 4.42Å; I878-V886 HydrophobicContact CD1-CG1 4.49Å; I878-V886 PolarHBondContact N-O 2.86Å; G879-V886 PolarHBondContact N-O 3.3Å; G879-V886 PolarHBondContact O-N 3.46Å; V886-A896 HydrophobicContact CG1-CB 4.39Å; V886-I897 WeakPolarHBondContact CA-O 3.43Å; V886-K898 HydrophobicContact CG2-CB 4.14Å; V886-K898 HydrophobicContact CG2-CG 4.07Å |
| 887 | Y | 94.9 | Very high | 87.8 | Confident | 45 Ų | 45 | 60.7 Ų | 60.7 | 18% | 0.176 | 32% | 0.316 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.3 | 149.1 | 177.5 | -59.6 | -98.5 | 0 | 0 | 0 | 110.8 | I874 E876 I877 T885 I897 R899 | I874-Y887 HydrophobicContact CG2-CD1 3.49Å; I874-Y887 VanDerWaalsContact CG2-CD1 3.49Å; I874-Y887 HydrophobicContact CG2-CD2 4.29Å; I874-Y887 HydrophobicContact CG2-CE1 4.18Å; I874-Y887 HydrophobicContact CG2-CG 3.55Å; E876-Y887 CarbonylContact O-C 3.55Å; E876-Y887 WeakPolarHBondContact O-CA 3.5Å; I877-Y887 HydrophobicContact CD1-CE1 4.14Å; I877-Y887 HydrophobicContact CG1-CD1 3.73Å; I877-Y887 HydrophobicContact CG1-CE1 3.49Å; I877-Y887 VanDerWaalsContact CG1-CE1 3.49Å; T885-Y887 HydrophobicContact CG2-CD2 4.04Å; T885-Y887 HydrophobicContact CG2-CE1 4.09Å; T885-Y887 HydrophobicContact CG2-CE2 3.44Å; T885-Y887 VanDerWaalsContact CG2-CE2 3.44Å; T885-Y887 VanDerWaalsContact CG2-CZ 3.47Å; T885-Y887 WeakPolarHBondContact O-CD2 3.42Å; T885-Y887 WeakPolarHBondContact O-CE2 3.41Å; Y887-I897 PolarHBondContact N-O 2.95Å; Y887-I897 PolarHBondContact O-N 2.86Å; Y887-R899 HydrophobicContact CD2-CB 4.44Å; Y887-R899 HydrophobicContact CD2-CG 4.08Å; Y887-R899 HydrophobicContact CE2-CB 4.05Å; Y887-R899 HydrophobicContact CE2-CG 3.93Å |
| 888 | R | 95.6 | Very high | 87.6 | Confident | 90 Ų | 90 | 57.3 Ų | 57.3 | 34% | 0.34 | 30% | 0.298 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.2 | 146.1 | 157.8 | -164.3 | -175 | -177.1 | 177.9 | 2.2 | 108 | G875 E876 I878 E894 L950 | G875-R888 WeakPolarHBondContact CA-O 3.5Å; G875-R888 PolarHBondContact N-O 3.11Å; E876-R888 VanDerWaalsContact CD-CD 3.45Å; E876-R888 HydrophobicContact CG-CB 4.19Å; E876-R888 PolarHBondContact O-N 2.95Å; E876-R888 WeakPolarHBondContact OE1-CD 3.41Å; E876-R888 IonicContact OE1-CZ 2.76Å; E876-R888 IonicContact OE1-NE 3.3Å; E876-R888 IonicContact OE1-NH1 2.68Å; E876-R888 PolarHBondContact OE1-NH1 3.08Å; I878-R888 HydrophobicContact CD1-CB 3.82Å; I878-R888 HydrophobicContact CD1-CG 4.4Å; I878-R888 HydrophobicContact CG1-CB 3.94Å; R888-E894 IonicContact CZ-OE1 3.73Å; R888-E894 IonicContact NE-OE1 2.8Å; R888-E894 IonicContact NH2-OE1 3.41Å; R888-E894 PolarHBondContact NH2-OE1 3.15Å; R888-L950 HydrophobicContact CG-CD2 3.91Å |
| 889 | G | 96 | Very high | 87.6 | Confident | 4 Ų | 4 | 55.7 Ų | 55.7 | 4% | 0.041 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -155.3 | -176.6 | 173.9 | 0 | 0 | 0 | 0 | 0 | 114.1 | F873 V895 | F873-G889 CarbonylContact O-C 3.56Å; F873-G889 WeakPolarHBondContact O-CA 3.26Å; G889-V895 PolarHBondContact N-O 3.33Å; G889-V895 PolarHBondContact O-N 2.83Å |
| 890 | K | 96.1 | Very high | 87.4 | Confident | 133 Ų | 133 | 55.4 Ų | 55.4 | 58% | 0.578 | 28% | 0.277 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -131.5 | 128.9 | 173.7 | -63.4 | 176.4 | -177.4 | 170.9 | 0 | 111.9 | F873 G893 | F873-K890 HydrophobicContact CB-CB 4.22Å; F873-K890 PolarHBondContact N-O 3.07Å; F873-K890 PolarHBondContact O-N 2.88Å; K890-G893 WeakPolarHBondContact CA-O 3.44Å; K890-G893 WeakPolarHBondContact CB-O 3.27Å |
| 891 | W | 93.6 | Very high | 87.1 | Confident | 65 Ų | 65 | 49.2 Ų | 49.2 | 25% | 0.246 | 26% | 0.258 | C | S | . | . | S | Bend | trans | -153.5 | 105.8 | 171.4 | -174.2 | 73.6 | 0 | 0 | 0 | 108.3 | I867 L872 G893 V895 M935 | I867-W891 HydrophobicContact CD1-CD2 3.99Å; I867-W891 HydrophobicContact CD1-CE3 3.98Å; I867-W891 HydrophobicContact CD1-CH2 3.75Å; I867-W891 HydrophobicContact CD1-CZ2 3.76Å; I867-W891 HydrophobicContact CD1-CZ3 3.87Å; I867-W891 HydrophobicContact CG1-CH2 4.12Å; I867-W891 HydrophobicContact CG1-CZ2 3.81Å; I867-W891 HydrophobicContact CG2-CZ2 4.43Å; L872-W891 HydrophobicContact CD2-CB 3.6Å; L872-W891 HydrophobicContact CD2-CG 3.72Å; W891-G893 PolarHBondContact N-O 3.38Å; W891-G893 PolarHBondContact O-N 2.74Å; W891-V895 HydrophobicContact CB-CG1 4.1Å; W891-V895 HydrophobicContact CB-CG2 4.15Å; W891-M935 HydrophobicContact CE3-CB 4.45Å; W891-M935 HydrophobicContact CZ3-CB 4.13Å |
| 892 | H | 90 | Very high | 87.1 | Confident | 184 Ų | 184 | 49.4 Ų | 49.4 | 85% | 0.852 | 25% | 0.245 | S | C | * | . | S | Bend | trans | 51.2 | 10.9 | -170.4 | -60 | -61 | 0 | 0 | 0 | 116.5 | ||
| 893 | G | 92.8 | Very high | 87.1 | Confident | 44 Ų | 44 | 48.8 Ų | 48.8 | 45% | 0.454 | 24% | 0.238 | S | C | . | . | S | Bend | trans | 166.9 | -166.2 | -170.3 | 0 | 0 | 0 | 0 | 0 | 109.3 | K890 W891 | K890-G893 WeakPolarHBondContact CA-O 3.44Å; K890-G893 WeakPolarHBondContact CB-O 3.27Å; W891-G893 PolarHBondContact N-O 3.38Å; W891-G893 PolarHBondContact O-N 2.74Å |
| 894 | E | 95.1 | Very high | 86.8 | Confident | 56 Ų | 56 | 53 Ų | 53 | 26% | 0.262 | 27% | 0.269 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88 | 134.8 | 169 | -62.9 | 179.3 | 107.2 | 0 | 0 | 110.1 | R888 L950 R952 | R888-E894 IonicContact CZ-OE1 3.73Å; R888-E894 IonicContact NE-OE1 2.8Å; R888-E894 IonicContact NH2-OE1 3.41Å; R888-E894 PolarHBondContact NH2-OE1 3.15Å; E894-L950 HydrophobicContact CB-CB 4.31Å; E894-L950 HydrophobicContact CB-CD2 3.93Å; E894-R952 IonicContact OE2-CZ 3.93Å; E894-R952 IonicContact OE2-NE 3.28Å; E894-R952 PolarHBondContact OE2-NE 2.66Å; E894-R952 IonicContact OE2-NH2 3.44Å; E894-R952 PolarHBondContact OE2-NH2 2.71Å |
| 895 | V | 96.4 | Very high | 85.5 | Confident | 0 Ų | 0 | 61.3 Ų | 61.3 | 0% | 0 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.8 | 156.2 | -176.4 | -60.6 | 0 | 0 | 0 | 0 | 111.4 | G889 W891 I897 M935 V947 T948 | G889-V895 PolarHBondContact N-O 3.33Å; G889-V895 PolarHBondContact O-N 2.83Å; W891-V895 HydrophobicContact CB-CG1 4.1Å; W891-V895 HydrophobicContact CB-CG2 4.15Å; V895-I897 HydrophobicContact CG2-CD1 4.1Å; V895-I897 HydrophobicContact CG2-CG1 3.86Å; V895-M935 HydrophobicContact CB-SD 4.49Å; V895-M935 HydrophobicContact CG1-SD 3.5Å; V895-M935 WeakPolarHBondContact CG1-SD 3.23Å; V895-V947 HydrophobicContact CB-CG1 3.86Å; V895-V947 HydrophobicContact CG1-CG1 4.07Å; V895-V947 HydrophobicContact CG2-CG1 4.03Å; V895-T948 WeakPolarHBondContact CA-O 3.25Å; V895-T948 WeakPolarHBondContact CB-O 3.35Å |
| 896 | A | 95.3 | Very high | 84 | Confident | 12 Ų | 12 | 65.5 Ų | 65.5 | 10% | 0.099 | 33% | 0.329 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.9 | 136.1 | 163.2 | 0 | 0 | 0 | 0 | 0 | 108.7 | V886 V947 T948 L950 | V886-A896 HydrophobicContact CG1-CB 4.39Å; A896-V947 WeakPolarHBondContact O-CA 3.07Å; A896-T948 PolarHBondContact N-O 2.7Å; A896-T948 PolarHBondContact O-N 3.03Å; A896-L950 HydrophobicContact CB-CD1 4.21Å |
| 897 | I | 94.6 | Very high | 82 | Confident | 0 Ų | 0 | 70.9 Ų | 70.9 | 0% | 0 | 36% | 0.361 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.9 | 100.1 | -176.9 | -54.9 | 172.2 | 0 | 0 | 0 | 107.7 | L872 I874 V886 Y887 V895 R899 A945 I946 | L872-I897 HydrophobicContact CB-CD1 4.08Å; L872-I897 HydrophobicContact CD1-CD1 4.09Å; L872-I897 HydrophobicContact CD1-CG1 4.5Å; L872-I897 HydrophobicContact CD1-CG2 4.27Å; L872-I897 HydrophobicContact CD2-CD1 4.39Å; L872-I897 HydrophobicContact CG-CD1 4.44Å; I874-I897 HydrophobicContact CG1-CD1 4.06Å; V886-I897 WeakPolarHBondContact CA-O 3.43Å; Y887-I897 PolarHBondContact N-O 2.95Å; Y887-I897 PolarHBondContact O-N 2.86Å; V895-I897 HydrophobicContact CG2-CD1 4.1Å; V895-I897 HydrophobicContact CG2-CG1 3.86Å; I897-R899 HydrophobicContact CG2-CG 4.3Å; I897-R899 PolarHBondContact O-N 2.69Å; I897-A945 HydrophobicContact CG2-CB 3.89Å; I897-I946 WeakPolarHBondContact CA-O 3.24Å |
| 898 | K | 91.6 | Very high | 80.5 | Confident | 23 Ų | 23 | 72.5 Ų | 72.5 | 10% | 0.1 | 37% | 0.373 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.6 | 94.3 | 176.7 | -179.9 | 176 | 178.5 | -177.7 | 0 | 108.3 | V886 E919 A945 I946 D1013 | V886-K898 HydrophobicContact CG2-CB 4.14Å; V886-K898 HydrophobicContact CG2-CG 4.07Å; K898-E919 IonicContact NZ-OE1 3.81Å; K898-E919 PolarHBondContact NZ-OE1 2.92Å; K898-E919 IonicContact NZ-OE2 2.7Å; K898-E919 PolarHBondContact NZ-OE2 3.47Å; K898-A945 CarbonylContact O-C 3.59Å; K898-A945 VanDerWaalsContact O-CA 3.29Å; K898-A945 WeakPolarHBondContact O-CA 3.41Å; K898-I946 HydrophobicContact CB-CB 4.36Å; K898-I946 PolarHBondContact N-O 2.9Å; K898-I946 PolarHBondContact O-N 3.24Å; K898-D1013 IonicContact NZ-OD1 3.47Å; K898-D1013 PolarHBondContact NZ-OD1 3.36Å |
| 899 | R | 89.8 | Confident | 79.2 | Confident | 58 Ų | 58 | 71.1 Ų | 71.1 | 22% | 0.219 | 37% | 0.372 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.1 | 143.7 | 172.8 | -71 | -170.9 | 60.4 | 138.7 | 8.8 | 109.5 | M869 G884 T885 Y887 I897 D943 A945 | M869-R899 HydrophobicContact CE-CG 4.37Å; G884-R899 CarbonylContact C-O 3.47Å; G884-R899 WeakPolarHBondContact CA-O 3.39Å; T885-R899 PolarHBondContact N-O 3.19Å; T885-R899 VanDerWaalsContact N-O 3.14Å; T885-R899 PolarHBondContact O-N 3.29Å; Y887-R899 HydrophobicContact CD2-CB 4.44Å; Y887-R899 HydrophobicContact CD2-CG 4.08Å; Y887-R899 HydrophobicContact CE2-CB 4.05Å; Y887-R899 HydrophobicContact CE2-CG 3.93Å; I897-R899 HydrophobicContact CG2-CG 4.3Å; I897-R899 PolarHBondContact O-N 2.69Å; R899-D943 IonicContact CZ-OD1 3.31Å; R899-D943 VanDerWaalsContact CZ-OD1 3.28Å; R899-D943 IonicContact NH1-OD1 3.82Å; R899-D943 PolarHBondContact NH1-OD1 3.39Å; R899-D943 IonicContact NH2-OD1 2.71Å; R899-D943 PolarHBondContact NH2-OD1 3.44Å; R899-A945 HydrophobicContact CG-CB 4.05Å |
| 900 | I | 79.7 | Confident | 78.1 | Confident | 22 Ų | 22 | 74.6 Ų | 74.6 | 11% | 0.113 | 40% | 0.396 | C | S | . | . | trans | -83 | 128.2 | 165.3 | -69.9 | -175.6 | 0 | 0 | 0 | 108.9 | F902 R912 F916 L944 | I900-F902 HydrophobicContact CB-CE2 4.09Å; I900-F902 HydrophobicContact CB-CZ 4.39Å; I900-F902 HydrophobicContact CG2-CD2 4.18Å; I900-F902 HydrophobicContact CG2-CE1 4.2Å; I900-F902 HydrophobicContact CG2-CE2 3.83Å; I900-F902 HydrophobicContact CG2-CZ 3.84Å; I900-F902 PolarHBondContact O-N 3.1Å; I900-R912 HydrophobicContact CG2-CB 4.37Å; I900-F916 HydrophobicContact CD1-CB 3.54Å; I900-F916 HydrophobicContact CD1-CD2 3.61Å; I900-F916 HydrophobicContact CD1-CG 3.96Å; I900-F916 HydrophobicContact CG1-CD2 4.29Å; I900-L944 PolarHBondContact N-O 2.93Å; I900-L944 VanDerWaalsContact N-O 3.1Å | ||
| 901 | D | 73.2 | Confident | 76.8 | Confident | 58 Ų | 58 | 72.9 Ų | 72.9 | 31% | 0.31 | 39% | 0.392 | S | S | . | . | trans | -83 | 113.4 | 171.5 | -64.5 | -36.8 | 0 | 0 | 0 | 108.4 | G884 T885 R912 | G884-D901 VanDerWaalsContact C-OD2 3.3Å; G884-D901 VanDerWaalsContact CA-OD2 3.25Å; G884-D901 WeakPolarHBondContact CA-OD2 3.48Å; T885-D901 PolarHBondContact N-OD2 3.14Å; T885-D901 PolarHBondContact OG1-OD1 3.5Å; T885-D901 PolarHBondContact OG1-OD2 3.06Å; D901-R912 PolarHBondContact O-NE 3.43Å; D901-R912 VanDerWaalsContact O-NE 3.15Å | ||
| 902 | F | 68.2 | Low | 75.7 | Confident | 51 Ų | 51 | 71.8 Ų | 71.8 | 22% | 0.224 | 39% | 0.388 | C | S | . | . | trans | -91.9 | 122.3 | 172.4 | -70.8 | -78.2 | 0 | 0 | 0 | 108.5 | I900 D909 R912 V913 P942 L944 | I900-F902 HydrophobicContact CB-CE2 4.09Å; I900-F902 HydrophobicContact CB-CZ 4.39Å; I900-F902 HydrophobicContact CG2-CD2 4.18Å; I900-F902 HydrophobicContact CG2-CE1 4.2Å; I900-F902 HydrophobicContact CG2-CE2 3.83Å; I900-F902 HydrophobicContact CG2-CZ 3.84Å; I900-F902 PolarHBondContact O-N 3.1Å; F902-D909 HydrophobicContact CD1-CB 4.11Å; F902-D909 VanDerWaalsContact CD1-CG 3.45Å; F902-D909 WeakPolarHBondContact CD1-OD1 3.24Å; F902-D909 WeakPolarHBondContact CD1-OD2 3.44Å; F902-D909 HydrophobicContact CE1-CB 4.11Å; F902-R912 HydrophobicContact CE1-CB 3.94Å; F902-V913 HydrophobicContact CE1-CG2 3.96Å; F902-V913 HydrophobicContact CZ-CG2 3.99Å; F902-P942 WeakPolarHBondContact CE2-O 3.25Å; F902-L944 HydrophobicContact CE2-CB 4.16Å; F902-L944 HydrophobicContact CE2-CD1 4.5Å; F902-L944 HydrophobicContact CE2-CG 4.3Å; F902-L944 HydrophobicContact CZ-CB 4.43Å; F902-L944 HydrophobicContact CZ-CD1 4Å; F902-L944 HydrophobicContact CZ-CG 4.29Å | ||
| 903 | D | 62.6 | Low | 75.1 | Confident | 94 Ų | 94 | 64.7 Ų | 64.7 | 50% | 0.503 | 36% | 0.358 | S | S | . | . | trans | -97.3 | 117.6 | -178.1 | -139.4 | -35.6 | 0 | 0 | 0 | 108.8 | E905 D906 | D903-E905 PolarHBondContact O-N 2.65Å; D903-D906 HydrophobicContact CB-CB 4.47Å; D903-D906 PolarHBondContact O-N 2.93Å | ||
| 904 | P | 57.2 | Low | 74.3 | Confident | 128 Ų | 128 | 65.5 Ų | 65.5 | 83% | 0.831 | 35% | 0.35 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.3 | -10.4 | -170 | -24.7 | 34.9 | 0 | 0 | 0 | 115.9 | ||
| 905 | E | 52.4 | Low | 73.2 | Confident | 182 Ų | 182 | 64.1 Ų | 64.1 | 85% | 0.85 | 35% | 0.348 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -99.6 | -9.9 | 179.9 | -59 | -173.3 | -175.6 | 0 | 0 | 113 | D903 | D903-E905 PolarHBondContact O-N 2.65Š|
| 906 | D | 56.8 | Low | 72.5 | Confident | 88 Ų | 88 | 64.2 Ų | 64.2 | 47% | 0.471 | 35% | 0.348 | S | S | . | . | trans | -81.4 | 128.6 | 176.6 | -92.7 | -40.9 | 0 | 0 | 0 | 111.6 | D903 D908 R912 | D903-D906 HydrophobicContact CB-CB 4.47Å; D903-D906 PolarHBondContact O-N 2.93Å; D906-D908 PolarHBondContact O-N 3.38Å; D906-R912 VanDerWaalsContact CB-NH1 3.26Å; D906-R912 IonicContact OD2-CZ 2.59Å; D906-R912 IonicContact OD2-NH1 2.62Å; D906-R912 PolarHBondContact OD2-NH1 2.67Å; D906-R912 IonicContact OD2-NH2 3.16Å; D906-R912 PolarHBondContact OD2-NH2 3.39Å | ||
| 907 | V | 51.2 | Low | 71.8 | Confident | 152 Ų | 152 | 65.6 Ų | 65.6 | 92% | 0.921 | 35% | 0.352 | S | S | * | . | S | Bend | trans | -81.9 | -10.1 | -167.4 | -164 | 0 | 0 | 0 | 0 | 113.8 | ||
| 908 | D | 61.9 | Low | 71 | Confident | 79 Ų | 79 | 71.8 Ų | 71.8 | 42% | 0.422 | 38% | 0.375 | S | S | . | . | trans | -138.2 | 80.6 | -176.4 | -168.6 | -2.6 | 0 | 0 | 0 | 114.1 | D906 S910 I911 | D906-D908 PolarHBondContact O-N 3.38Å; D908-S910 PolarHBondContact O-N 2.96Å; D908-S910 WeakPolarHBondContact OD1-CA 3.32Å; D908-S910 WeakPolarHBondContact OD1-CB 3.34Å; D908-S910 PolarHBondContact OD1-N 3.07Å; D908-S910 PolarHBondContact OD1-OG 2.9Å; D908-I911 HydrophobicContact CB-CD1 4.48Å; D908-I911 VanDerWaalsContact OD2-CD1 3.24Å; D908-I911 WeakPolarHBondContact OD2-CD1 3.17Å; D908-I911 WeakPolarHBondContact OD2-CG1 3.42Å | ||
| 909 | D | 68.7 | Low | 70.6 | Confident | 60 Ų | 60 | 71.3 Ų | 71.3 | 32% | 0.321 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -69.8 | -12.8 | 169.6 | -79.2 | -22.6 | 0 | 0 | 0 | 113.9 | F902 I911 R912 V913 | F902-D909 HydrophobicContact CD1-CB 4.11Å; F902-D909 VanDerWaalsContact CD1-CG 3.45Å; F902-D909 WeakPolarHBondContact CD1-OD1 3.24Å; F902-D909 WeakPolarHBondContact CD1-OD2 3.44Å; F902-D909 HydrophobicContact CE1-CB 4.11Å; D909-I911 VanDerWaalsContact C-N 3.26Å; D909-I911 PolarHBondContact O-N 2.69Å; D909-R912 WeakPolarHBondContact O-CB 3.48Å; D909-R912 PolarHBondContact O-N 2.93Å; D909-R912 VanDerWaalsContact O-N 3.11Å; D909-R912 WeakPolarHBondContact OD1-CD 3.49Å; D909-R912 IonicContact OD1-CZ 2.96Å; D909-R912 IonicContact OD1-NE 2.72Å; D909-R912 IonicContact OD1-NH1 3.8Å; D909-R912 PolarHBondContact OD1-NH1 3Å; D909-V913 WeakPolarHBondContact O-CG2 3.49Å; D909-V913 PolarHBondContact O-N 2.93Å |
| 910 | S | 72.1 | Confident | 70.4 | Confident | 78 Ų | 78 | 68.6 Ų | 68.6 | 55% | 0.545 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -63.7 | -35.9 | -179 | 83.2 | 0 | 0 | 0 | 0 | 111.3 | D908 V913 E914 | D908-S910 PolarHBondContact O-N 2.96Å; D908-S910 WeakPolarHBondContact OD1-CA 3.32Å; D908-S910 WeakPolarHBondContact OD1-CB 3.34Å; D908-S910 PolarHBondContact OD1-N 3.07Å; D908-S910 PolarHBondContact OD1-OG 2.9Å; S910-V913 PolarHBondContact O-N 3.22Å; S910-E914 WeakPolarHBondContact O-CB 3.36Å; S910-E914 PolarHBondContact O-N 3.01Å |
| 911 | I | 69.7 | Low | 70.6 | Confident | 97 Ų | 97 | 68.3 Ų | 68.3 | 50% | 0.497 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -65.3 | -39.5 | 174.8 | -62 | 172.5 | 0 | 0 | 0 | 111.2 | D908 D909 A915 | D908-I911 HydrophobicContact CB-CD1 4.48Å; D908-I911 VanDerWaalsContact OD2-CD1 3.24Å; D908-I911 WeakPolarHBondContact OD2-CD1 3.17Å; D908-I911 WeakPolarHBondContact OD2-CG1 3.42Å; D909-I911 VanDerWaalsContact C-N 3.26Å; D909-I911 PolarHBondContact O-N 2.69Å; I911-A915 WeakPolarHBondContact O-CB 3.41Å; I911-A915 PolarHBondContact O-N 2.96Å; I911-A915 VanDerWaalsContact O-N 3.09Å |
| 912 | R | 71.5 | Confident | 71.2 | Confident | 41 Ų | 41 | 67.5 Ų | 67.5 | 16% | 0.155 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -62.5 | -47.6 | 173.3 | -72.1 | -177.5 | 168.2 | 97.1 | 7.5 | 110.7 | I900 D901 F902 D906 D909 A915 F916 | I900-R912 HydrophobicContact CG2-CB 4.37Å; D901-R912 PolarHBondContact O-NE 3.43Å; D901-R912 VanDerWaalsContact O-NE 3.15Å; F902-R912 HydrophobicContact CE1-CB 3.94Å; D906-R912 VanDerWaalsContact CB-NH1 3.26Å; D906-R912 IonicContact OD2-CZ 2.59Å; D906-R912 IonicContact OD2-NH1 2.62Å; D906-R912 PolarHBondContact OD2-NH1 2.67Å; D906-R912 IonicContact OD2-NH2 3.16Å; D906-R912 PolarHBondContact OD2-NH2 3.39Å; D909-R912 WeakPolarHBondContact O-CB 3.48Å; D909-R912 PolarHBondContact O-N 2.93Å; D909-R912 VanDerWaalsContact O-N 3.11Å; D909-R912 WeakPolarHBondContact OD1-CD 3.49Å; D909-R912 IonicContact OD1-CZ 2.96Å; D909-R912 IonicContact OD1-NE 2.72Å; D909-R912 IonicContact OD1-NH1 3.8Å; D909-R912 PolarHBondContact OD1-NH1 3Å; R912-A915 PolarHBondContact O-N 3.45Å; R912-F916 PolarHBondContact O-N 3.18Å |
| 913 | V | 77.3 | Confident | 72.2 | Confident | 35 Ų | 35 | 65.4 Ų | 65.4 | 21% | 0.212 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -67.5 | -34.5 | -177.2 | 172.3 | 0 | 0 | 0 | 0 | 112.3 | F902 D909 S910 F916 K917 L944 | F902-V913 HydrophobicContact CE1-CG2 3.96Å; F902-V913 HydrophobicContact CZ-CG2 3.99Å; D909-V913 WeakPolarHBondContact O-CG2 3.49Å; D909-V913 PolarHBondContact O-N 2.93Å; S910-V913 PolarHBondContact O-N 3.22Å; V913-F916 WeakPolarHBondContact O-CB 3.28Å; V913-K917 WeakPolarHBondContact O-CG 3.37Å; V913-K917 PolarHBondContact O-N 3.12Å; V913-K917 VanDerWaalsContact O-N 3.15Å; V913-L944 HydrophobicContact CB-CD1 4.46Å; V913-L944 HydrophobicContact CG1-CD1 4.29Å; V913-L944 HydrophobicContact CG2-CD1 3.92Å |
| 914 | E | 75.1 | Confident | 73.4 | Confident | 62 Ų | 62 | 64 Ų | 64 | 29% | 0.29 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -79.1 | -34.1 | 177.1 | -159 | 57.5 | -140.4 | 0 | 0 | 112.3 | S910 F916 K917 R918 | S910-E914 WeakPolarHBondContact O-CB 3.36Å; S910-E914 PolarHBondContact O-N 3.01Å; E914-F916 VanDerWaalsContact C-N 3.31Å; E914-F916 PolarHBondContact O-N 3.49Å; E914-K917 PolarHBondContact O-N 2.86Å; E914-K917 WeakPolarHBondContact OE2-CD 3.39Å; E914-K917 WeakPolarHBondContact OE2-CE 3.25Å; E914-K917 IonicContact OE2-NZ 3.34Å; E914-K917 PolarHBondContact OE2-NZ 2.94Å; E914-R918 WeakPolarHBondContact O-CB 3.25Å; E914-R918 PolarHBondContact O-N 3.41Å |
| 915 | A | 72.3 | Confident | 74.8 | Confident | 27 Ų | 27 | 64 Ų | 64 | 22% | 0.223 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -59.9 | -42 | 169 | 0 | 0 | 0 | 0 | 0 | 111.6 | I911 R912 R918 E919 | I911-A915 WeakPolarHBondContact O-CB 3.41Å; I911-A915 PolarHBondContact O-N 2.96Å; I911-A915 VanDerWaalsContact O-N 3.09Å; R912-A915 PolarHBondContact O-N 3.45Å; A915-R918 PolarHBondContact O-N 3.31Å; A915-E919 PolarHBondContact O-N 2.93Å |
| 916 | F | 80.7 | Confident | 76.7 | Confident | 2 Ų | 2 | 55.6 Ų | 55.6 | 1% | 0.009 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -57.5 | -53.8 | 173 | 177.9 | -102.6 | 0 | 0 | 0 | 112.9 | I900 R912 V913 E914 R918 E919 V920 A937 C938 L944 I946 | I900-F916 HydrophobicContact CD1-CB 3.54Å; I900-F916 HydrophobicContact CD1-CD2 3.61Å; I900-F916 HydrophobicContact CD1-CG 3.96Å; I900-F916 HydrophobicContact CG1-CD2 4.29Å; R912-F916 PolarHBondContact O-N 3.18Å; V913-F916 WeakPolarHBondContact O-CB 3.28Å; E914-F916 VanDerWaalsContact C-N 3.31Å; E914-F916 PolarHBondContact O-N 3.49Å; F916-R918 PolarHBondContact O-N 2.83Å; F916-E919 PolarHBondContact O-N 3.48Å; F916-E919 VanDerWaalsContact O-N 3.16Å; F916-V920 HydrophobicContact CD1-CG2 4.39Å; F916-V920 HydrophobicContact CD2-CG2 4.35Å; F916-V920 HydrophobicContact CE1-CG2 4.1Å; F916-V920 HydrophobicContact CE2-CG2 4.07Å; F916-V920 HydrophobicContact CZ-CG2 3.94Å; F916-V920 WeakPolarHBondContact O-CG2 3.15Å; F916-V920 PolarHBondContact O-N 2.96Å; F916-A937 HydrophobicContact CZ-CB 4.05Å; F916-C938 VanDerWaalsContact CZ-O 3.31Å; F916-C938 WeakPolarHBondContact CZ-O 3.15Å; F916-L944 HydrophobicContact CD1-CB 4.47Å; F916-L944 HydrophobicContact CD1-CD1 3.8Å; F916-L944 HydrophobicContact CD1-CD2 4.49Å; F916-L944 HydrophobicContact CD2-CB 4.27Å; F916-L944 HydrophobicContact CE1-CB 4.25Å; F916-L944 HydrophobicContact CE1-CD1 4.13Å; F916-L944 HydrophobicContact CE1-CD2 4.01Å; F916-L944 HydrophobicContact CE1-CG 4.37Å; F916-L944 HydrophobicContact CE2-CB 4.01Å; F916-L944 HydrophobicContact CG-CB 4.47Å; F916-L944 HydrophobicContact CG-CD1 4.11Å; F916-L944 HydrophobicContact CZ-CB 4Å; F916-L944 HydrophobicContact CZ-CD2 4.35Å; F916-I946 HydrophobicContact CD2-CD1 4.15Å; F916-I946 HydrophobicContact CD2-CG1 3.91Å; F916-I946 HydrophobicContact CE2-CD1 4.19Å; F916-I946 HydrophobicContact CE2-CG1 3.46Å; F916-I946 VanDerWaalsContact CE2-CG1 3.46Å; F916-I946 HydrophobicContact CZ-CG1 4.37Å |
| 917 | K | 81.5 | Confident | 78.5 | Confident | 41 Ų | 41 | 60.8 Ų | 60.8 | 18% | 0.178 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -56.9 | -38.6 | 178.7 | -70.9 | 176.9 | -146 | 153.5 | 0 | 111.3 | V913 E914 A921 | V913-K917 WeakPolarHBondContact O-CG 3.37Å; V913-K917 PolarHBondContact O-N 3.12Å; V913-K917 VanDerWaalsContact O-N 3.15Å; E914-K917 PolarHBondContact O-N 2.86Å; E914-K917 WeakPolarHBondContact OE2-CD 3.39Å; E914-K917 WeakPolarHBondContact OE2-CE 3.25Å; E914-K917 IonicContact OE2-NZ 3.34Å; E914-K917 PolarHBondContact OE2-NZ 2.94Å; K917-A921 WeakPolarHBondContact O-CB 3.35Å; K917-A921 PolarHBondContact O-N 2.97Å |
| 918 | R | 77.9 | Confident | 80.7 | Confident | 129 Ų | 129 | 56 Ų | 56 | 49% | 0.487 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -66.5 | -45.3 | 177.4 | -164.7 | -171.3 | -63.4 | -172.9 | -2.2 | 112.3 | E914 A915 F916 A921 L922 E1062 | E914-R918 WeakPolarHBondContact O-CB 3.25Å; E914-R918 PolarHBondContact O-N 3.41Å; A915-R918 PolarHBondContact O-N 3.31Å; F916-R918 PolarHBondContact O-N 2.83Å; R918-A921 PolarHBondContact O-N 2.88Å; R918-L922 WeakPolarHBondContact O-CG 3.31Å; R918-L922 PolarHBondContact O-N 3.44Å; R918-L922 VanDerWaalsContact O-N 3.08Å; R918-E1062 IonicContact CZ-OE1 2.72Å; R918-E1062 IonicContact NH1-OE1 3.65Å; R918-E1062 PolarHBondContact NH1-OE1 3.3Å |
| 919 | E | 82.1 | Confident | 82.3 | Confident | 14 Ų | 14 | 58.7 Ų | 58.7 | 7% | 0.065 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -59.2 | -51.2 | 175.2 | -176.7 | 167.3 | 174.7 | 0 | 0 | 111.2 | K898 A915 F916 A921 L922 L923 I946 V1016 | K898-E919 IonicContact NZ-OE1 3.81Å; K898-E919 PolarHBondContact NZ-OE1 2.92Å; K898-E919 IonicContact NZ-OE2 2.7Å; K898-E919 PolarHBondContact NZ-OE2 3.47Å; A915-E919 PolarHBondContact O-N 2.93Å; F916-E919 PolarHBondContact O-N 3.48Å; F916-E919 VanDerWaalsContact O-N 3.16Å; E919-A921 PolarHBondContact O-N 3.46Å; E919-L922 PolarHBondContact O-N 2.61Å; E919-L923 HydrophobicContact CG-CD1 3.76Å; E919-L923 HydrophobicContact CG-CG 4.34Å; E919-L923 WeakPolarHBondContact O-CB 3.23Å; E919-L923 WeakPolarHBondContact O-CG 3.49Å; E919-L923 PolarHBondContact O-N 2.58Å; E919-I946 HydrophobicContact CB-CD1 3.94Å; E919-I946 HydrophobicContact CG-CD1 3.44Å; E919-I946 VanDerWaalsContact CG-CD1 3.44Å; E919-V1016 HydrophobicContact CB-CG2 3.63Å; E919-V1016 HydrophobicContact CG-CG2 3.51Å |
| 920 | V | 86.5 | Confident | 83.6 | Confident | 1 Ų | 1 | 55.8 Ų | 55.8 | 1% | 0.006 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -60.2 | -43.8 | 177.7 | 177.4 | 0 | 0 | 0 | 0 | 111.3 | L862 F916 L922 L923 H924 F934 A937 I946 | L862-V920 HydrophobicContact CD1-CB 4.35Å; L862-V920 HydrophobicContact CD1-CG1 3.7Å; L862-V920 HydrophobicContact CD2-CG1 3.91Å; L862-V920 HydrophobicContact CG-CG1 4.41Å; F916-V920 HydrophobicContact CD1-CG2 4.39Å; F916-V920 HydrophobicContact CD2-CG2 4.35Å; F916-V920 HydrophobicContact CE1-CG2 4.1Å; F916-V920 HydrophobicContact CE2-CG2 4.07Å; F916-V920 HydrophobicContact CZ-CG2 3.94Å; F916-V920 WeakPolarHBondContact O-CG2 3.15Å; F916-V920 PolarHBondContact O-N 2.96Å; V920-L922 VanDerWaalsContact C-N 3.26Å; V920-L922 PolarHBondContact O-N 3.03Å; V920-L923 PolarHBondContact O-N 3.33Å; V920-H924 WeakPolarHBondContact O-CB 3.28Å; V920-H924 PolarHBondContact O-N 2.64Å; V920-F934 HydrophobicContact CG1-CE2 4.09Å; V920-F934 HydrophobicContact CG1-CZ 3.83Å; V920-A937 HydrophobicContact CG1-CB 3.95Å; V920-A937 HydrophobicContact CG2-CB 3.75Å; V920-I946 HydrophobicContact CG2-CD1 3.83Å; V920-I946 HydrophobicContact CG2-CG1 3.88Å |
| 921 | A | 84.6 | Confident | 84.7 | Confident | 15 Ų | 15 | 52.2 Ų | 52.2 | 12% | 0.124 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -67.8 | -20.5 | 179.9 | 0 | 0 | 0 | 0 | 0 | 114.5 | I858 K917 R918 E919 K925 | I858-A921 HydrophobicContact CG2-CB 4.37Å; K917-A921 WeakPolarHBondContact O-CB 3.35Å; K917-A921 PolarHBondContact O-N 2.97Å; R918-A921 PolarHBondContact O-N 2.88Å; E919-A921 PolarHBondContact O-N 3.46Å; A921-K925 WeakPolarHBondContact O-CD 3.34Å; A921-K925 VanDerWaalsContact O-CE 3.27Å; A921-K925 WeakPolarHBondContact O-CE 3.41Å; A921-K925 WeakPolarHBondContact O-CG 3.37Å |
| 922 | L | 85 | Confident | 85.9 | Confident | 42 Ų | 42 | 48.3 Ų | 48.3 | 22% | 0.22 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -81.6 | -55.2 | 168.4 | -71.8 | 169.9 | 0 | 0 | 0 | 110.7 | R918 E919 V920 H924 K925 I991 | R918-L922 WeakPolarHBondContact O-CG 3.31Å; R918-L922 PolarHBondContact O-N 3.44Å; R918-L922 VanDerWaalsContact O-N 3.08Å; E919-L922 PolarHBondContact O-N 2.61Å; V920-L922 VanDerWaalsContact C-N 3.26Å; V920-L922 PolarHBondContact O-N 3.03Å; L922-H924 PolarHBondContact O-N 2.96Å; L922-K925 PolarHBondContact O-N 2.87Å; L922-I991 HydrophobicContact CD2-CD1 4.21Å; L922-I991 HydrophobicContact CD2-CG1 4.12Å; L922-I991 HydrophobicContact CD2-CG2 4.45Å |
| 923 | L | 88.5 | Confident | 86.9 | Confident | 7 Ų | 7 | 49 Ų | 49 | 4% | 0.037 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -55.2 | -46.1 | -176.1 | -74.2 | 173 | 0 | 0 | 0 | 112.7 | E919 V920 K925 T926 F934 I946 F1014 | E919-L923 HydrophobicContact CG-CD1 3.76Å; E919-L923 HydrophobicContact CG-CG 4.34Å; E919-L923 WeakPolarHBondContact O-CB 3.23Å; E919-L923 WeakPolarHBondContact O-CG 3.49Å; E919-L923 PolarHBondContact O-N 2.58Å; V920-L923 PolarHBondContact O-N 3.33Å; L923-K925 PolarHBondContact O-N 3.37Å; L923-K925 VanDerWaalsContact O-N 3.09Å; L923-T926 PolarHBondContact O-N 2.91Å; L923-T926 PolarHBondContact O-OG1 2.94Å; L923-F934 HydrophobicContact CB-CB 4.08Å; L923-F934 HydrophobicContact CB-CD2 3.63Å; L923-F934 HydrophobicContact CB-CE2 4.31Å; L923-F934 HydrophobicContact CB-CG 3.99Å; L923-F934 HydrophobicContact CD1-CD2 4.22Å; L923-I946 HydrophobicContact CD1-CD1 4.25Å; L923-I946 HydrophobicContact CD1-CG2 3.66Å; L923-F1014 HydrophobicContact CD2-CE1 4.34Å; L923-F1014 HydrophobicContact CD2-CE2 3.78Å; L923-F1014 HydrophobicContact CD2-CZ 3.65Å |
| 924 | H | 88.8 | Confident | 87.6 | Confident | 63 Ų | 63 | 47.9 Ų | 47.9 | 29% | 0.292 | 22% | 0.218 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -54 | -30.3 | 176.9 | 141.8 | -111 | 0 | 0 | 0 | 113.6 | L862 W865 V920 L922 T926 F934 | L862-H924 HydrophobicContact CD2-CB 4.13Å; W865-H924 AromaticContact CE2-CD2 3.84Å; W865-H924 AromaticContact NE1-CD2 3.45Å; W865-H924 PolarHBondContact NE1-CD2 3.04Å; W865-H924 AromaticContact NE1-NE2 3.93Å; V920-H924 WeakPolarHBondContact O-CB 3.28Å; V920-H924 PolarHBondContact O-N 2.64Å; L922-H924 PolarHBondContact O-N 2.96Å; H924-T926 VanDerWaalsContact C-N 3.31Å; H924-T926 PolarHBondContact O-N 3.35Å; H924-F934 HydrophobicContact CB-CD1 4.06Å; H924-F934 HydrophobicContact CB-CE1 3.83Å; H924-F934 HydrophobicContact CB-CZ 4.43Å |
| 925 | K | 87 | Confident | 88.5 | Confident | 128 Ų | 128 | 47.3 Ų | 47.3 | 56% | 0.557 | 22% | 0.216 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -85.1 | -2.7 | -178.4 | -62.4 | 175.8 | -175.1 | 171.3 | 0 | 113.6 | A921 L922 L923 | A921-K925 WeakPolarHBondContact O-CD 3.34Å; A921-K925 VanDerWaalsContact O-CE 3.27Å; A921-K925 WeakPolarHBondContact O-CE 3.41Å; A921-K925 WeakPolarHBondContact O-CG 3.37Å; L922-K925 PolarHBondContact O-N 2.87Å; L923-K925 PolarHBondContact O-N 3.37Å; L923-K925 VanDerWaalsContact O-N 3.09Å |
| 926 | T | 92.4 | Very high | 89.5 | Confident | 6 Ų | 6 | 46 Ų | 46 | 4% | 0.037 | 21% | 0.206 | C | C | . | . | trans | -111.2 | 133.4 | -173.9 | 62.7 | 0 | 0 | 0 | 0 | 112.7 | L923 H924 L931 Y985 L986 I991 F1014 | L923-T926 PolarHBondContact O-N 2.91Å; L923-T926 PolarHBondContact O-OG1 2.94Å; H924-T926 VanDerWaalsContact C-N 3.31Å; H924-T926 PolarHBondContact O-N 3.35Å; T926-L931 HydrophobicContact CG2-CD1 4.49Å; T926-Y985 HydrophobicContact CG2-CE1 4.36Å; T926-L986 HydrophobicContact CG2-CD2 3.98Å; T926-I991 HydrophobicContact CG2-CD1 3.56Å; T926-F1014 HydrophobicContact CG2-CE2 3.85Å; T926-F1014 HydrophobicContact CG2-CZ 4.16Å; T926-F1014 WeakPolarHBondContact OG1-CZ 3.35Å | ||
| 927 | R | 94.6 | Very high | 90.1 | Very high | 197 Ų | 197 | 46 Ų | 46 | 74% | 0.743 | 21% | 0.206 | S | C | * | . | trans | -156.3 | 109.3 | 171.8 | -174.6 | 172.7 | 179.8 | 157.3 | 1.2 | 109.5 | L933 Y985 | R927-L933 HydrophobicContact CG-CD1 4.35Å; R927-Y985 PolarHBondContact N-OH 2.93Å; R927-Y985 WeakPolarHBondContact O-CE2 3.31Å; R927-Y985 PolarHBondContact O-OH 3.31Å; R927-Y985 VanDerWaalsContact O-OH 3.14Å | ||
| 928 | H | 96.5 | Very high | 90.6 | Very high | 52 Ų | 52 | 44.1 Ų | 44.1 | 24% | 0.241 | 20% | 0.198 | C | C | . | . | trans | -153.8 | 152.4 | -178.1 | -177.2 | -99.9 | 0 | 0 | 0 | 109.3 | N930 L931 Y985 | H928-N930 VanDerWaalsContact C-N 3.26Å; H928-N930 PolarHBondContact ND1-N 3.38Å; H928-N930 VanDerWaalsContact ND1-N 3.19Å; H928-N930 PolarHBondContact O-N 2.77Å; H928-L931 HydrophobicContact CB-CB 4.25Å; H928-L931 HydrophobicContact CB-CD1 3.91Å; H928-L931 HydrophobicContact CB-CG 3.89Å; H928-L931 PolarHBondContact O-N 2.8Å; H928-L931 VanDerWaalsContact O-N 3.17Å; H928-Y985 HydrophobicContact CB-CD1 4.03Å; H928-Y985 HydrophobicContact CB-CD2 3.94Å; H928-Y985 HydrophobicContact CB-CE1 4.27Å; H928-Y985 HydrophobicContact CB-CE2 4.15Å; H928-Y985 HydrophobicContact CB-CG 3.87Å; H928-Y985 AromaticContact CD2-CD2 3.7Å; H928-Y985 AromaticContact CD2-CG 3.96Å; H928-Y985 AromaticContact CG-CG 3.95Å | ||
| 929 | E | 95.4 | Very high | 91 | Very high | 135 Ų | 135 | 40.4 Ų | 40.4 | 63% | 0.631 | 19% | 0.187 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -64.2 | -30.7 | -174.6 | 66.9 | -177.4 | 154.4 | 0 | 0 | 113.5 | R1008 | E929-R1008 PolarHBondContact O-NE 3.37Å; E929-R1008 PolarHBondContact O-NH2 3.34Å |
| 930 | N | 96.7 | Very high | 91 | Very high | 0 Ų | 0 | 45.2 Ų | 45.2 | 0% | 0 | 21% | 0.207 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -96.6 | 13.2 | 177.1 | -55.9 | 122.2 | 0 | 0 | 0 | 114.8 | H928 Q978 V1009 I1011 | H928-N930 VanDerWaalsContact C-N 3.26Å; H928-N930 PolarHBondContact ND1-N 3.38Å; H928-N930 VanDerWaalsContact ND1-N 3.19Å; H928-N930 PolarHBondContact O-N 2.77Å; N930-Q978 PolarHBondContact ND2-OE1 2.79Å; N930-Q978 VanDerWaalsContact ND2-OE1 3.09Å; N930-Q978 PolarHBondContact OD1-O 3.21Å; N930-V1009 VanDerWaalsContact CA-O 3.28Å; N930-V1009 WeakPolarHBondContact CA-O 3.49Å; N930-V1009 PolarHBondContact ND2-O 3.44Å; N930-I1011 VanDerWaalsContact O-CG1 3.3Å; N930-I1011 WeakPolarHBondContact O-CG1 3.45Å; N930-I1011 PolarHBondContact O-N 3.4Å |
| 931 | L | 95.2 | Very high | 90.5 | Very high | 2 Ų | 2 | 48.6 Ų | 48.6 | 1% | 0.01 | 24% | 0.235 | C | C | . | . | B | Isolated β-bridge | trans | -113.3 | 151.4 | 171.9 | -63.2 | -177.5 | 0 | 0 | 0 | 110.3 | T926 H928 L933 Y985 L986 I1011 F1014 | T926-L931 HydrophobicContact CG2-CD1 4.49Å; H928-L931 HydrophobicContact CB-CB 4.25Å; H928-L931 HydrophobicContact CB-CD1 3.91Å; H928-L931 HydrophobicContact CB-CG 3.89Å; H928-L931 PolarHBondContact O-N 2.8Å; H928-L931 VanDerWaalsContact O-N 3.17Å; L931-L933 PolarHBondContact O-N 3.15Å; L931-Y985 HydrophobicContact CD1-CD1 3.58Å; L931-Y985 HydrophobicContact CD1-CE1 3.88Å; L931-L986 HydrophobicContact CD1-CD2 3.62Å; L931-L986 HydrophobicContact CD1-CG 3.96Å; L931-L986 HydrophobicContact CD2-CD1 3.89Å; L931-L986 HydrophobicContact CD2-CD2 4.27Å; L931-L986 HydrophobicContact CD2-CG 3.96Å; L931-I1011 HydrophobicContact CD2-CB 3.87Å; L931-I1011 HydrophobicContact CD2-CD1 4.03Å; L931-I1011 HydrophobicContact CD2-CG1 4.34Å; L931-I1011 HydrophobicContact CD2-CG2 4.49Å; L931-F1014 HydrophobicContact CB-CE1 4.19Å; L931-F1014 HydrophobicContact CD1-CE1 4.41Å; L931-F1014 HydrophobicContact CD1-CZ 4.32Å; L931-F1014 HydrophobicContact CD2-CD1 4.29Å; L931-F1014 HydrophobicContact CD2-CE1 4Å; L931-F1014 HydrophobicContact CG-CE1 4.42Å |
| 932 | V | 93.4 | Very high | 90.1 | Very high | 16 Ų | 16 | 52.2 Ų | 52.2 | 10% | 0.097 | 26% | 0.258 | C | S | . | . | P | Polyproline II helix | trans | -61.8 | 131.6 | 171.2 | 71.4 | 0 | 0 | 0 | 0 | 109.7 | F934 T948 V1010 I1011 F1014 | V932-F934 PolarHBondContact O-N 3.25Å; V932-T948 HydrophobicContact CG2-CG2 4.46Å; V932-V1010 HydrophobicContact CB-CG1 4.02Å; V932-I1011 PolarHBondContact N-O 3.02Å; V932-F1014 HydrophobicContact CG1-CE1 4.11Å |
| 933 | L | 93.1 | Very high | 90.1 | Very high | 56 Ų | 56 | 53.1 Ų | 53.1 | 29% | 0.293 | 26% | 0.263 | S | S | . | . | P | Polyproline II helix | trans | -81.3 | 116.3 | -177.6 | 177.9 | 62.9 | 0 | 0 | 0 | 110.2 | R927 L931 T948 Q949 | R927-L933 HydrophobicContact CG-CD1 4.35Å; L931-L933 PolarHBondContact O-N 3.15Å; L933-T948 CarbonylContact O-C 3.49Å; L933-T948 VanDerWaalsContact O-CA 3.26Å; L933-T948 WeakPolarHBondContact O-CA 3.35Å; L933-T948 WeakPolarHBondContact O-CB 3.32Å; L933-Q949 HydrophobicContact CB-CB 3.96Å; L933-Q949 PolarHBondContact O-N 2.69Å |
| 934 | F | 92.9 | Very high | 90 | Very high | 10 Ų | 10 | 53 Ų | 53 | 4% | 0.044 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -64.5 | 134.1 | 166.2 | -179.3 | -104.3 | 0 | 0 | 0 | 110.7 | W865 V920 L923 H924 V932 G936 A937 I946 | W865-F934 HydrophobicContact CB-CE1 3.99Å; W865-F934 HydrophobicContact CB-CZ 4.29Å; W865-F934 HydrophobicContact CD2-CD1 4.36Å; W865-F934 AromaticContact CD2-CE1 3.78Å; W865-F934 HydrophobicContact CD2-CE1 3.78Å; W865-F934 AromaticContact CE3-CD1 3.88Å; W865-F934 HydrophobicContact CE3-CD1 3.88Å; W865-F934 AromaticContact CE3-CE1 3.6Å; W865-F934 HydrophobicContact CE3-CE1 3.6Å; W865-F934 AromaticContact CG-CE1 3.96Å; W865-F934 HydrophobicContact CG-CE1 3.96Å; W865-F934 HydrophobicContact CZ3-CD1 4.16Å; W865-F934 HydrophobicContact CZ3-CE1 4.34Å; V920-F934 HydrophobicContact CG1-CE2 4.09Å; V920-F934 HydrophobicContact CG1-CZ 3.83Å; L923-F934 HydrophobicContact CB-CB 4.08Å; L923-F934 HydrophobicContact CB-CD2 3.63Å; L923-F934 HydrophobicContact CB-CE2 4.31Å; L923-F934 HydrophobicContact CB-CG 3.99Å; L923-F934 HydrophobicContact CD1-CD2 4.22Å; H924-F934 HydrophobicContact CB-CD1 4.06Å; H924-F934 HydrophobicContact CB-CE1 3.83Å; H924-F934 HydrophobicContact CB-CZ 4.43Å; V932-F934 PolarHBondContact O-N 3.25Å; F934-G936 WeakPolarHBondContact CE2-O 3.28Å; F934-G936 VanDerWaalsContact CZ-C 3.43Å; F934-G936 VanDerWaalsContact CZ-CA 3.45Å; F934-A937 HydrophobicContact CE2-CB 4.4Å; F934-A937 HydrophobicContact CZ-CB 4.36Å; F934-I946 HydrophobicContact CD2-CG2 4.25Å; F934-I946 HydrophobicContact CE2-CG2 4.12Å |
| 935 | M | 93.2 | Very high | 90.2 | Very high | 50 Ų | 50 | 50 Ų | 50 | 25% | 0.246 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.3 | -30.2 | 178.6 | -68.9 | -176.5 | 167.6 | 0 | 0 | 112.8 | W891 V895 V947 Q949 | W891-M935 HydrophobicContact CE3-CB 4.45Å; W891-M935 HydrophobicContact CZ3-CB 4.13Å; V895-M935 HydrophobicContact CB-SD 4.49Å; V895-M935 HydrophobicContact CG1-SD 3.5Å; V895-M935 WeakPolarHBondContact CG1-SD 3.23Å; M935-V947 HydrophobicContact CB-CG1 4.22Å; M935-V947 WeakPolarHBondContact CB-O 3.2Å; M935-V947 PolarHBondContact N-O 2.99Å; M935-Q949 HydrophobicContact CE-CB 3.89Å |
| 936 | G | 93 | Very high | 90.4 | Very high | 0 Ų | 0 | 44 Ų | 44 | 0% | 0 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 164.2 | -171.4 | 175.5 | 0 | 0 | 0 | 0 | 0 | 111.6 | W865 F934 V947 | W865-G936 CarbonylContact O-C 3.23Å; W865-G936 VanDerWaalsContact O-CA 3.31Å; W865-G936 WeakPolarHBondContact O-CA 3.29Å; F934-G936 WeakPolarHBondContact CE2-O 3.28Å; F934-G936 VanDerWaalsContact CZ-C 3.43Å; F934-G936 VanDerWaalsContact CZ-CA 3.45Å; G936-V947 PolarHBondContact N-O 2.7Å; G936-V947 WeakPolarHBondContact O-CA 3.48Å; G936-V947 PolarHBondContact O-N 2.92Å |
| 937 | A | 93.2 | Very high | 90.5 | Very high | 1 Ų | 1 | 43.8 Ų | 43.8 | 1% | 0.008 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -148 | 146.7 | 177 | 0 | 0 | 0 | 0 | 0 | 110.7 | W865 D866 I867 F916 V920 F934 M939 A945 | W865-A937 PolarHBondContact O-N 3.02Å; D866-A937 CarbonylContact C-O 3.35Å; D866-A937 VanDerWaalsContact CA-O 3.29Å; D866-A937 WeakPolarHBondContact CA-O 3.41Å; I867-A937 PolarHBondContact N-O 2.98Å; F916-A937 HydrophobicContact CZ-CB 4.05Å; V920-A937 HydrophobicContact CG1-CB 3.95Å; V920-A937 HydrophobicContact CG2-CB 3.75Å; F934-A937 HydrophobicContact CE2-CB 4.4Å; F934-A937 HydrophobicContact CZ-CB 4.36Å; A937-M939 PolarHBondContact O-N 2.72Å; A937-A945 CarbonylContact C-O 3.6Å; A937-A945 WeakPolarHBondContact CA-O 3.45Å; A937-A945 WeakPolarHBondContact CB-O 3.42Å |
| 938 | C | 92.7 | Very high | 90.5 | Very high | 3 Ų | 3 | 35.4 Ų | 35.4 | 2% | 0.02 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.1 | 111.7 | 167.3 | -56 | 0 | 0 | 0 | 0 | 107.9 | I867 L872 F916 D943 L944 A945 | I867-C938 WeakPolarHBondContact O-CA 3.34Å; I867-C938 PolarHBondContact O-SG 3.43Å; L872-C938 WeakPolarHBondContact CD1-SG 3.46Å; F916-C938 VanDerWaalsContact CZ-O 3.31Å; F916-C938 WeakPolarHBondContact CZ-O 3.15Å; C938-D943 WeakPolarHBondContact CB-O 3.29Å; C938-L944 WeakPolarHBondContact O-CA 3.34Å; C938-L944 WeakPolarHBondContact O-CD2 3.19Å; C938-A945 HydrophobicContact CB-CB 4.13Å; C938-A945 PolarHBondContact N-O 3.06Å; C938-A945 PolarHBondContact O-N 3Å |
| 939 | M | 85.4 | Confident | 90.3 | Very high | 50 Ų | 50 | 35.2 Ų | 35.2 | 25% | 0.246 | 19% | 0.191 | C | C | . | . | trans | -95.7 | 4.3 | -175.2 | -66.5 | -154.3 | 70 | 0 | 0 | 115 | L862 D866 A937 L944 | L862-M939 HydrophobicContact CB-SD 3.57Å; L862-M939 VanDerWaalsContact CB-SD 3.57Å; L862-M939 HydrophobicContact CD1-CE 3.97Å; L862-M939 HydrophobicContact CD1-SD 3.93Å; L862-M939 HydrophobicContact CG-SD 4.43Å; D866-M939 WeakPolarHBondContact OD1-CB 3.4Å; D866-M939 PolarHBondContact OD1-N 2.7Å; A937-M939 PolarHBondContact O-N 2.72Å; M939-L944 WeakPolarHBondContact O-CD2 3.28Å | ||
| 940 | K | 82.8 | Confident | 90.2 | Very high | 115 Ų | 115 | 30 Ų | 30 | 50% | 0.5 | 17% | 0.167 | S | C | . | . | S | Bend | trans | -97 | 112.3 | -179.6 | -58.9 | 173.2 | -166.4 | 165.4 | 0 | 110.6 | D943 | K940-D943 CarbonylContact O-C 3.53Å; K940-D943 VanDerWaalsContact O-C 3.32Å; K940-D943 WeakPolarHBondContact O-CA 3.48Å; K940-D943 PolarHBondContact O-N 2.98Å |
| 941 | A | 76.5 | Confident | 90 | Very high | 72 Ų | 72 | 31.1 Ų | 31.1 | 60% | 0.595 | 18% | 0.175 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -66.2 | 146.8 | 171 | 0 | 0 | 0 | 0 | 0 | 110.8 | L944 | A941-L944 HydrophobicContact CB-CD2 4.44Å; A941-L944 HydrophobicContact CB-CG 4.35Å |
| 942 | P | 75.9 | Confident | 89.5 | Confident | 91 Ų | 91 | 39.4 Ų | 39.4 | 59% | 0.591 | 21% | 0.206 | S | C | * | . | T | Hydrogen-bonded Turn | cis | -81.1 | -9.8 | 2.7 | 34.3 | -37 | 0 | 0 | 0 | 114.5 | F902 L944 | F902-P942 WeakPolarHBondContact CE2-O 3.25Å; P942-L944 PolarHBondContact O-N 3.41Å |
| 943 | D | 83.9 | Confident | 89.1 | Confident | 61 Ų | 61 | 39.5 Ų | 39.5 | 33% | 0.326 | 21% | 0.21 | S | C | . | . | S | Bend | trans | -78.4 | 47.7 | -175.8 | -75.6 | -61.1 | 0 | 0 | 0 | 113.7 | M869 R899 C938 K940 A945 | M869-D943 HydrophobicContact CB-CB 4.31Å; M869-D943 HydrophobicContact CE-CB 3.73Å; M869-D943 HydrophobicContact CG-CB 4.12Å; R899-D943 IonicContact CZ-OD1 3.31Å; R899-D943 VanDerWaalsContact CZ-OD1 3.28Å; R899-D943 IonicContact NH1-OD1 3.82Å; R899-D943 PolarHBondContact NH1-OD1 3.39Å; R899-D943 IonicContact NH2-OD1 2.71Å; R899-D943 PolarHBondContact NH2-OD1 3.44Å; C938-D943 WeakPolarHBondContact CB-O 3.29Å; K940-D943 CarbonylContact O-C 3.53Å; K940-D943 VanDerWaalsContact O-C 3.32Å; K940-D943 WeakPolarHBondContact O-CA 3.48Å; K940-D943 PolarHBondContact O-N 2.98Å; D943-A945 PolarHBondContact O-N 3.39Å |
| 944 | L | 88.3 | Confident | 88.8 | Confident | 5 Ų | 5 | 42.7 Ų | 42.7 | 3% | 0.026 | 22% | 0.224 | C | C | . | . | trans | -72.9 | 125 | 174.9 | -61.1 | -167.4 | 0 | 0 | 0 | 111.6 | I900 F902 V913 F916 C938 M939 A941 P942 | I900-L944 PolarHBondContact N-O 2.93Å; I900-L944 VanDerWaalsContact N-O 3.1Å; F902-L944 HydrophobicContact CE2-CB 4.16Å; F902-L944 HydrophobicContact CE2-CD1 4.5Å; F902-L944 HydrophobicContact CE2-CG 4.3Å; F902-L944 HydrophobicContact CZ-CB 4.43Å; F902-L944 HydrophobicContact CZ-CD1 4Å; F902-L944 HydrophobicContact CZ-CG 4.29Å; V913-L944 HydrophobicContact CB-CD1 4.46Å; V913-L944 HydrophobicContact CG1-CD1 4.29Å; V913-L944 HydrophobicContact CG2-CD1 3.92Å; F916-L944 HydrophobicContact CD1-CB 4.47Å; F916-L944 HydrophobicContact CD1-CD1 3.8Å; F916-L944 HydrophobicContact CD1-CD2 4.49Å; F916-L944 HydrophobicContact CD2-CB 4.27Å; F916-L944 HydrophobicContact CE1-CB 4.25Å; F916-L944 HydrophobicContact CE1-CD1 4.13Å; F916-L944 HydrophobicContact CE1-CD2 4.01Å; F916-L944 HydrophobicContact CE1-CG 4.37Å; F916-L944 HydrophobicContact CE2-CB 4.01Å; F916-L944 HydrophobicContact CG-CB 4.47Å; F916-L944 HydrophobicContact CG-CD1 4.11Å; F916-L944 HydrophobicContact CZ-CB 4Å; F916-L944 HydrophobicContact CZ-CD2 4.35Å; C938-L944 WeakPolarHBondContact O-CA 3.34Å; C938-L944 WeakPolarHBondContact O-CD2 3.19Å; M939-L944 WeakPolarHBondContact O-CD2 3.28Å; A941-L944 HydrophobicContact CB-CD2 4.44Å; A941-L944 HydrophobicContact CB-CG 4.35Å; P942-L944 PolarHBondContact O-N 3.41Å | ||
| 945 | A | 92.2 | Very high | 88.8 | Confident | 0 Ų | 0 | 43.3 Ų | 43.3 | 0% | 0 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -150 | 148.6 | -178.9 | 0 | 0 | 0 | 0 | 0 | 112 | M869 I897 K898 R899 A937 C938 D943 | M869-A945 HydrophobicContact CE-CB 4Å; I897-A945 HydrophobicContact CG2-CB 3.89Å; K898-A945 CarbonylContact O-C 3.59Å; K898-A945 VanDerWaalsContact O-CA 3.29Å; K898-A945 WeakPolarHBondContact O-CA 3.41Å; R899-A945 HydrophobicContact CG-CB 4.05Å; A937-A945 CarbonylContact C-O 3.6Å; A937-A945 WeakPolarHBondContact CA-O 3.45Å; A937-A945 WeakPolarHBondContact CB-O 3.42Å; C938-A945 HydrophobicContact CB-CB 4.13Å; C938-A945 PolarHBondContact N-O 3.06Å; C938-A945 PolarHBondContact O-N 3Å; D943-A945 PolarHBondContact O-N 3.39Å |
| 946 | I | 91.8 | Very high | 88.8 | Confident | 3 Ų | 3 | 41 Ų | 41 | 2% | 0.015 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.4 | 131.1 | 172.7 | -52.2 | -173.1 | 0 | 0 | 0 | 108.3 | I897 K898 F916 E919 V920 L923 F934 T948 | I897-I946 WeakPolarHBondContact CA-O 3.24Å; K898-I946 HydrophobicContact CB-CB 4.36Å; K898-I946 PolarHBondContact N-O 2.9Å; K898-I946 PolarHBondContact O-N 3.24Å; F916-I946 HydrophobicContact CD2-CD1 4.15Å; F916-I946 HydrophobicContact CD2-CG1 3.91Å; F916-I946 HydrophobicContact CE2-CD1 4.19Å; F916-I946 HydrophobicContact CE2-CG1 3.46Å; F916-I946 VanDerWaalsContact CE2-CG1 3.46Å; F916-I946 HydrophobicContact CZ-CG1 4.37Å; E919-I946 HydrophobicContact CB-CD1 3.94Å; E919-I946 HydrophobicContact CG-CD1 3.44Å; E919-I946 VanDerWaalsContact CG-CD1 3.44Å; V920-I946 HydrophobicContact CG2-CD1 3.83Å; V920-I946 HydrophobicContact CG2-CG1 3.88Å; L923-I946 HydrophobicContact CD1-CD1 4.25Å; L923-I946 HydrophobicContact CD1-CG2 3.66Å; F934-I946 HydrophobicContact CD2-CG2 4.25Å; F934-I946 HydrophobicContact CE2-CG2 4.12Å; I946-T948 HydrophobicContact CG2-CG2 4.18Å |
| 947 | V | 94.2 | Very high | 88.8 | Confident | 0 Ų | 0 | 43.2 Ų | 43.2 | 0% | 0 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.4 | 122.2 | -178.8 | -170.5 | 0 | 0 | 0 | 0 | 109.4 | I867 L872 V895 A896 M935 G936 | I867-V947 HydrophobicContact CD1-CB 3.91Å; I867-V947 HydrophobicContact CD1-CG1 4.21Å; I867-V947 HydrophobicContact CD1-CG2 3.88Å; L872-V947 HydrophobicContact CD1-CG2 3.75Å; L872-V947 HydrophobicContact CD2-CG2 4.2Å; V895-V947 HydrophobicContact CB-CG1 3.86Å; V895-V947 HydrophobicContact CG1-CG1 4.07Å; V895-V947 HydrophobicContact CG2-CG1 4.03Å; A896-V947 WeakPolarHBondContact O-CA 3.07Å; M935-V947 HydrophobicContact CB-CG1 4.22Å; M935-V947 WeakPolarHBondContact CB-O 3.2Å; M935-V947 PolarHBondContact N-O 2.99Å; G936-V947 PolarHBondContact N-O 2.7Å; G936-V947 WeakPolarHBondContact O-CA 3.48Å; G936-V947 PolarHBondContact O-N 2.92Å |
| 948 | T | 94.2 | Very high | 88.6 | Confident | 21 Ų | 21 | 48.1 Ų | 48.1 | 13% | 0.129 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.7 | 166.6 | 179.3 | 62.4 | 0 | 0 | 0 | 0 | 111.3 | V895 A896 V932 L933 I946 L950 | V895-T948 WeakPolarHBondContact CA-O 3.25Å; V895-T948 WeakPolarHBondContact CB-O 3.35Å; A896-T948 PolarHBondContact N-O 2.7Å; A896-T948 PolarHBondContact O-N 3.03Å; V932-T948 HydrophobicContact CG2-CG2 4.46Å; L933-T948 CarbonylContact O-C 3.49Å; L933-T948 VanDerWaalsContact O-CA 3.26Å; L933-T948 WeakPolarHBondContact O-CA 3.35Å; L933-T948 WeakPolarHBondContact O-CB 3.32Å; I946-T948 HydrophobicContact CG2-CG2 4.18Å; T948-L950 PolarHBondContact O-N 3.28Å |
| 949 | Q | 93.1 | Very high | 88.5 | Confident | 48 Ų | 48 | 48.8 Ų | 48.8 | 22% | 0.224 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -54.5 | 130 | 166.1 | 174.3 | 173.1 | -20.5 | 0 | 0 | 110 | L933 M935 S951 | L933-Q949 HydrophobicContact CB-CB 3.96Å; L933-Q949 PolarHBondContact O-N 2.69Å; M935-Q949 HydrophobicContact CE-CB 3.89Å; Q949-S951 PolarHBondContact O-N 3.18Å |
| 950 | L | 93.3 | Very high | 88.8 | Confident | 27 Ų | 27 | 46.5 Ų | 46.5 | 14% | 0.141 | 24% | 0.24 | C | C | . | . | trans | -67.6 | 114.3 | 167.5 | -178.4 | 63.9 | 0 | 0 | 0 | 109.6 | I878 R888 E894 A896 T948 R952 | I878-L950 HydrophobicContact CD1-CD1 3.48Å; I878-L950 VanDerWaalsContact CD1-CD1 3.48Å; R888-L950 HydrophobicContact CG-CD2 3.91Å; E894-L950 HydrophobicContact CB-CB 4.31Å; E894-L950 HydrophobicContact CB-CD2 3.93Å; A896-L950 HydrophobicContact CB-CD1 4.21Å; T948-L950 PolarHBondContact O-N 3.28Å; L950-R952 PolarHBondContact O-N 3.46Å | ||
| 951 | S | 90.6 | Very high | 89.1 | Confident | 22 Ų | 22 | 43.5 Ų | 43.5 | 15% | 0.154 | 23% | 0.227 | C | C | . | . | trans | -60.5 | 122 | 167 | -62.3 | 0 | 0 | 0 | 0 | 109.5 | Q949 E1004 | Q949-S951 PolarHBondContact O-N 3.18Å; S951-E1004 WeakPolarHBondContact CA-OE1 3.46Å | ||
| 952 | R | 84.7 | Confident | 89.5 | Confident | 176 Ų | 176 | 44 Ų | 44 | 66% | 0.664 | 22% | 0.221 | S | C | * | . | trans | -85.8 | -13.7 | 179.9 | -74.3 | -175.5 | 168.4 | 152.4 | -0.6 | 114.7 | E894 L950 E1004 | E894-R952 IonicContact OE2-CZ 3.93Å; E894-R952 IonicContact OE2-NE 3.28Å; E894-R952 PolarHBondContact OE2-NE 2.66Å; E894-R952 IonicContact OE2-NH2 3.44Å; E894-R952 PolarHBondContact OE2-NH2 2.71Å; L950-R952 PolarHBondContact O-N 3.46Å; R952-E1004 PolarHBondContact N-OE1 3.02Å | ||
| 953 | G | 85.2 | Confident | 89.3 | Confident | 18 Ų | 18 | 50.8 Ų | 50.8 | 19% | 0.186 | 23% | 0.234 | C | C | . | . | S | Bend | trans | -90.7 | 163.2 | 176.7 | 0 | 0 | 0 | 0 | 0 | 113.1 | L1003 | G953-L1003 WeakPolarHBondContact CA-O 3.5Š|
| 954 | E | 88.6 | Confident | 88.9 | Confident | 124 Ų | 124 | 55 Ų | 55 | 58% | 0.579 | 26% | 0.257 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -71 | 162.9 | 168.7 | -63.5 | -175.9 | 110.3 | 0 | 0 | 111.5 | L959 F1002 L1003 | E954-L959 HydrophobicContact CB-CD1 4.4Å; E954-L959 HydrophobicContact CB-CD2 4.48Å; E954-L959 HydrophobicContact CB-CG 4.19Å; E954-L959 WeakPolarHBondContact OE2-CD2 3.22Å; E954-F1002 WeakPolarHBondContact O-CA 3.27Å; E954-L1003 PolarHBondContact O-N 2.91Å |
| 955 | T | 92.2 | Very high | 88.3 | Confident | 22 Ų | 22 | 56.3 Ų | 56.3 | 14% | 0.135 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.5 | 143.5 | 169.8 | 62.2 | 0 | 0 | 0 | 0 | 110.5 | Y957 H958 L959 R999 L1001 F1002 | T955-Y957 PolarHBondContact O-N 2.92Å; T955-Y957 VanDerWaalsContact O-N 3.16Å; T955-H958 PolarHBondContact O-N 3.45Å; T955-H958 PolarHBondContact OG1-ND1 2.68Å; T955-L959 PolarHBondContact O-N 2.91Å; T955-R999 VanDerWaalsContact CG2-O 3.3Å; T955-R999 WeakPolarHBondContact CG2-O 3.41Å; T955-L1001 CarbonylContact C-O 3.49Å; T955-L1001 WeakPolarHBondContact CA-O 3.3Å; T955-F1002 HydrophobicContact CG2-CD1 3.86Å; T955-F1002 HydrophobicContact CG2-CE1 3.51Å; T955-F1002 HydrophobicContact CG2-CZ 3.92Å |
| 956 | L | 93.6 | Very high | 87.5 | Confident | 2 Ų | 2 | 63.2 Ų | 63.2 | 1% | 0.01 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -57.4 | -31 | 178.2 | -175.2 | 60.3 | 0 | 0 | 0 | 111.6 | L959 I960 M967 I975 I979 T998 L1001 V1077 L1081 | L956-L959 PolarHBondContact O-N 2.71Å; L956-I960 HydrophobicContact CD1-CD1 3.89Å; L956-I960 HydrophobicContact CD1-CG1 3.99Å; L956-I960 HydrophobicContact CD2-CD1 4.21Å; L956-I960 HydrophobicContact CG-CD1 3.64Å; L956-I960 HydrophobicContact CG-CG1 4.16Å; L956-I960 WeakPolarHBondContact O-CB 3.46Å; L956-I960 VanDerWaalsContact O-CG1 3.29Å; L956-I960 WeakPolarHBondContact O-CG1 3.38Å; L956-I960 PolarHBondContact O-N 3.21Å; L956-M967 HydrophobicContact CD1-CE 4.02Å; L956-I975 HydrophobicContact CD1-CD1 4.34Å; L956-I975 HydrophobicContact CD1-CG2 4.22Å; L956-I975 HydrophobicContact CD2-CG2 3.87Å; L956-I979 HydrophobicContact CD2-CD1 4.13Å; L956-T998 HydrophobicContact CD2-CG2 4.13Å; L956-T998 HydrophobicContact CG-CG2 4.28Å; L956-T998 PolarHBondContact N-O 3.2Å; L956-L1001 HydrophobicContact CB-CB 3.94Å; L956-L1001 HydrophobicContact CD2-CB 4.25Å; L956-L1001 HydrophobicContact CD2-CD1 3.89Å; L956-L1001 PolarHBondContact N-O 3.38Å; L956-V1077 HydrophobicContact CD2-CG1 4.39Å; L956-L1081 HydrophobicContact CD1-CD2 4.21Å; L956-L1081 HydrophobicContact CD2-CD2 4.32Å |
| 957 | Y | 92.1 | Very high | 87.2 | Confident | 47 Ų | 47 | 64 Ų | 64 | 18% | 0.184 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -54.1 | -51.2 | 172.4 | 164.9 | -102.3 | 0 | 0 | 0 | 112.9 | T955 I960 H961 T998 R999 Y1086 | T955-Y957 PolarHBondContact O-N 2.92Å; T955-Y957 VanDerWaalsContact O-N 3.16Å; Y957-I960 PolarHBondContact O-N 2.97Å; Y957-H961 AromaticContact CD2-CE1 3.63Å; Y957-H961 AromaticContact CD2-ND1 3.29Å; Y957-H961 VanDerWaalsContact CD2-ND1 3.29Å; Y957-H961 WeakPolarHBondContact CD2-ND1 3.22Å; Y957-H961 HydrophobicContact CE2-CB 4.39Å; Y957-H961 AromaticContact CE2-CE1 3.71Å; Y957-H961 AromaticContact CE2-CG 3.84Å; Y957-H961 AromaticContact CE2-ND1 3.33Å; Y957-H961 VanDerWaalsContact CE2-ND1 3.33Å; Y957-H961 WeakPolarHBondContact CE2-ND1 3.47Å; Y957-H961 PolarHBondContact O-N 3.31Å; Y957-H961 PolarHBondContact O-ND1 2.66Å; Y957-T998 PolarHBondContact N-O 3.14Å; Y957-R999 HydrophobicContact CD1-CG 4.19Å; Y957-R999 HydrophobicContact CD2-CG 4.3Å; Y957-R999 VanDerWaalsContact CE1-NH1 3.35Å; Y957-R999 HydrophobicContact CG-CG 3.76Å; Y957-R999 PolarHBondContact OH-NH2 3.16Å; Y957-Y1086 VanDerWaalsContact CD2-OH 3.29Å; Y957-Y1086 WeakPolarHBondContact CD2-OH 3.46Å; Y957-Y1086 HydrophobicContact CE2-CE2 4.12Å; Y957-Y1086 AromaticContact CE2-CZ 3.91Å; Y957-Y1086 WeakPolarHBondContact CE2-OH 3.48Å |
| 958 | H | 89.8 | Confident | 86.9 | Confident | 104 Ų | 104 | 67.7 Ų | 67.7 | 48% | 0.481 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -66.2 | -42.7 | -179 | -71.9 | 106.6 | 0 | 0 | 0 | 110.7 | T955 I960 H961 D962 | T955-H958 PolarHBondContact O-N 3.45Å; T955-H958 PolarHBondContact OG1-ND1 2.68Å; H958-I960 VanDerWaalsContact C-N 3.35Å; H958-I960 PolarHBondContact O-N 3.16Å; H958-H961 PolarHBondContact O-N 3.36Å; H958-D962 PolarHBondContact O-N 2.9Å |
| 959 | L | 90 | Very high | 86.7 | Confident | 17 Ų | 17 | 69.1 Ų | 69.1 | 9% | 0.089 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -63.2 | -36 | 178.8 | -67.8 | 170.6 | 0 | 0 | 0 | 113.3 | E954 T955 L956 N965 L1003 | E954-L959 HydrophobicContact CB-CD1 4.4Å; E954-L959 HydrophobicContact CB-CD2 4.48Å; E954-L959 HydrophobicContact CB-CG 4.19Å; E954-L959 WeakPolarHBondContact OE2-CD2 3.22Å; T955-L959 PolarHBondContact O-N 2.91Å; L956-L959 PolarHBondContact O-N 2.71Å; L959-N965 PolarHBondContact O-ND2 2.92Å; L959-L1003 HydrophobicContact CD1-CB 3.7Å; L959-L1003 HydrophobicContact CD1-CD2 3.73Å; L959-L1003 HydrophobicContact CD1-CG 4.33Å |
| 960 | I | 91.7 | Very high | 86.6 | Confident | 1 Ų | 1 | 69.9 Ų | 69.9 | 1% | 0.005 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -76.4 | -34.4 | 179.8 | -72.4 | 176.7 | 0 | 0 | 0 | 111.9 | L956 Y957 H958 M967 T998 E1080 L1081 N1084 | L956-I960 HydrophobicContact CD1-CD1 3.89Å; L956-I960 HydrophobicContact CD1-CG1 3.99Å; L956-I960 HydrophobicContact CD2-CD1 4.21Å; L956-I960 HydrophobicContact CG-CD1 3.64Å; L956-I960 HydrophobicContact CG-CG1 4.16Å; L956-I960 WeakPolarHBondContact O-CB 3.46Å; L956-I960 VanDerWaalsContact O-CG1 3.29Å; L956-I960 WeakPolarHBondContact O-CG1 3.38Å; L956-I960 PolarHBondContact O-N 3.21Å; Y957-I960 PolarHBondContact O-N 2.97Å; H958-I960 VanDerWaalsContact C-N 3.35Å; H958-I960 PolarHBondContact O-N 3.16Å; I960-M967 HydrophobicContact CG1-CE 4.08Å; I960-T998 HydrophobicContact CD1-CG2 4.1Å; I960-E1080 HydrophobicContact CD1-CB 4.29Å; I960-E1080 HydrophobicContact CG2-CB 4.37Å; I960-E1080 HydrophobicContact CG2-CG 4.47Å; I960-L1081 HydrophobicContact CD1-CD2 3.72Å; I960-L1081 HydrophobicContact CD1-CG 3.91Å; I960-L1081 HydrophobicContact CG1-CD2 4.37Å; I960-N1084 HydrophobicContact CG2-CB 4.32Å; I960-N1084 WeakPolarHBondContact O-CB 3.46Å; I960-N1084 VanDerWaalsContact O-CG 3.27Å; I960-N1084 PolarHBondContact O-ND2 2.9Å |
| 961 | H | 88.9 | Confident | 86.5 | Confident | 52 Ų | 52 | 71.2 Ų | 71.2 | 24% | 0.241 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -97.1 | -4.9 | -173 | -66 | 92.4 | 0 | 0 | 0 | 114.7 | Y957 H958 R963 E1080 Y1086 | Y957-H961 AromaticContact CD2-CE1 3.63Å; Y957-H961 AromaticContact CD2-ND1 3.29Å; Y957-H961 VanDerWaalsContact CD2-ND1 3.29Å; Y957-H961 WeakPolarHBondContact CD2-ND1 3.22Å; Y957-H961 HydrophobicContact CE2-CB 4.39Å; Y957-H961 AromaticContact CE2-CE1 3.71Å; Y957-H961 AromaticContact CE2-CG 3.84Å; Y957-H961 AromaticContact CE2-ND1 3.33Å; Y957-H961 VanDerWaalsContact CE2-ND1 3.33Å; Y957-H961 WeakPolarHBondContact CE2-ND1 3.47Å; Y957-H961 PolarHBondContact O-N 3.31Å; Y957-H961 PolarHBondContact O-ND1 2.66Å; H958-H961 PolarHBondContact O-N 3.36Å; H961-R963 PolarHBondContact O-N 3.08Å; H961-E1080 IonicContact CE1-OE2 2.65Å; H961-E1080 PolarHBondContact CE1-OE2 3.26Å; H961-Y1086 AromaticContact CE1-CE2 3.85Å; H961-Y1086 AromaticContact NE2-CD2 3.6Å; H961-Y1086 AromaticContact NE2-CE2 3.46Å; H961-Y1086 WeakPolarHBondContact NE2-CE2 3.41Å |
| 962 | D | 85.9 | Confident | 86.6 | Confident | 84 Ų | 84 | 70.2 Ų | 70.2 | 45% | 0.449 | 34% | 0.335 | S | S | . | . | trans | -65 | 127.6 | 163 | -179.5 | 13.7 | 0 | 0 | 0 | 110 | H958 D964 N965 | H958-D962 PolarHBondContact O-N 2.9Å; D962-D964 VanDerWaalsContact C-N 3.28Å; D962-D964 PolarHBondContact O-N 3.13Å; D962-D964 PolarHBondContact OD1-N 3.46Å; D962-N965 HydrophobicContact CB-CB 4.16Å; D962-N965 PolarHBondContact O-N 3.2Å | ||
| 963 | R | 69.9 | Low | 87 | Confident | 232 Ų | 232 | 62 Ų | 62 | 88% | 0.875 | 30% | 0.304 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.9 | -25.1 | -175.8 | -70 | -170.3 | 174.9 | -152.5 | -0.3 | 113 | H961 | H961-R963 PolarHBondContact O-N 3.08Š|
| 964 | D | 76.1 | Confident | 87.5 | Confident | 149 Ų | 149 | 63.8 Ų | 63.8 | 80% | 0.797 | 31% | 0.314 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -88 | -10.5 | -178 | -66.6 | -22.1 | 0 | 0 | 0 | 112.2 | D962 I966 | D962-D964 VanDerWaalsContact C-N 3.28Å; D962-D964 PolarHBondContact O-N 3.13Å; D962-D964 PolarHBondContact OD1-N 3.46Å; D964-I966 PolarHBondContact O-N 2.99Å |
| 965 | N | 75.8 | Confident | 87.9 | Confident | 33 Ų | 33 | 58 Ų | 58 | 18% | 0.176 | 29% | 0.287 | C | S | . | . | trans | -98.1 | 80.1 | -176.8 | -172.4 | 25.5 | 0 | 0 | 0 | 113.7 | L959 D962 M967 N1084 | L959-N965 PolarHBondContact O-ND2 2.92Å; D962-N965 HydrophobicContact CB-CB 4.16Å; D962-N965 PolarHBondContact O-N 3.2Å; N965-M967 PolarHBondContact O-N 3.42Å; N965-N1084 PolarHBondContact O-ND2 2.97Å | ||
| 966 | I | 76.6 | Confident | 88.1 | Confident | 146 Ų | 146 | 57 Ų | 57 | 75% | 0.749 | 28% | 0.281 | S | S | * | . | trans | -76.5 | 103.1 | 170.7 | -56.7 | 178.3 | 0 | 0 | 0 | 109.9 | D964 P968 | D964-I966 PolarHBondContact O-N 2.99Å; I966-P968 WeakPolarHBondContact O-CD 3.23Å | ||
| 967 | M | 84.6 | Confident | 88.2 | Confident | 18 Ų | 18 | 57 Ų | 57 | 9% | 0.089 | 28% | 0.282 | C | S | . | . | trans | -71.5 | 123.3 | -179 | -170.5 | 121.3 | 64.3 | 0 | 0 | 112.1 | L956 I960 N965 R971 I975 L1081 | L956-M967 HydrophobicContact CD1-CE 4.02Å; I960-M967 HydrophobicContact CG1-CE 4.08Å; N965-M967 PolarHBondContact O-N 3.42Å; M967-R971 HydrophobicContact CG-CB 4.07Å; M967-R971 HydrophobicContact CG-CG 4.15Å; M967-R971 HydrophobicContact SD-CB 4.45Å; M967-R971 HydrophobicContact SD-CG 3.89Å; M967-I975 HydrophobicContact CE-CD1 3.85Å; M967-I975 HydrophobicContact SD-CD1 3.57Å; M967-I975 VanDerWaalsContact SD-CD1 3.57Å; M967-L1081 HydrophobicContact CE-CD2 3.65Å | ||
| 968 | P | 88.2 | Confident | 88.5 | Confident | 78 Ų | 78 | 56.2 Ų | 56.2 | 51% | 0.506 | 28% | 0.279 | S | S | . | . | trans | -65.6 | 139.5 | 177.6 | -22.5 | 34.1 | 0 | 0 | 0 | 112.1 | I966 N970 R971 T972 | I966-P968 WeakPolarHBondContact O-CD 3.23Å; P968-N970 VanDerWaalsContact C-N 3.25Å; P968-N970 PolarHBondContact O-N 3.07Å; P968-R971 WeakPolarHBondContact O-CA 3.44Å; P968-R971 WeakPolarHBondContact O-CB 3.14Å; P968-R971 PolarHBondContact O-N 2.87Å; P968-T972 PolarHBondContact O-N 3.36Å; P968-T972 VanDerWaalsContact O-N 3.09Å | ||
| 969 | I | 89.4 | Confident | 88.9 | Confident | 51 Ų | 51 | 51.3 Ų | 51.3 | 26% | 0.262 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -56.5 | -34 | -172.4 | -162.9 | 63.7 | 0 | 0 | 0 | 114.3 | R971 T972 I973 L1082 F1116 L1147 | I969-R971 VanDerWaalsContact C-N 3.29Å; I969-R971 PolarHBondContact O-N 2.91Å; I969-T972 HydrophobicContact CD1-CG2 4.15Å; I969-T972 WeakPolarHBondContact O-CB 3.41Å; I969-T972 PolarHBondContact O-N 3.44Å; I969-I973 HydrophobicContact CG1-CD1 4.41Å; I969-I973 VanDerWaalsContact O-CG1 3.29Å; I969-I973 WeakPolarHBondContact O-CG1 3.31Å; I969-I973 PolarHBondContact O-N 3.25Å; I969-L1082 HydrophobicContact CD1-CD2 3.66Å; I969-F1116 HydrophobicContact CD1-CD1 4.14Å; I969-F1116 HydrophobicContact CD1-CE1 3.62Å; I969-F1116 HydrophobicContact CD1-CZ 4.46Å; I969-F1116 HydrophobicContact CG1-CE1 3.59Å; I969-F1116 HydrophobicContact CG1-CZ 3.99Å; I969-L1147 HydrophobicContact CG2-CB 4.4Å; I969-L1147 HydrophobicContact CG2-CD1 4.07Å |
| 970 | N | 90.7 | Very high | 89.3 | Confident | 65 Ų | 65 | 50.5 Ų | 50.5 | 35% | 0.348 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -65 | -32 | 174.9 | -61.9 | -20.8 | 0 | 0 | 0 | 112.6 | P968 S974 L1147 | P968-N970 VanDerWaalsContact C-N 3.25Å; P968-N970 PolarHBondContact O-N 3.07Å; N970-S974 WeakPolarHBondContact O-CB 3.43Å; N970-S974 PolarHBondContact O-N 3.4Å; N970-S974 VanDerWaalsContact O-N 3.09Å; N970-L1147 PolarHBondContact ND2-O 2.76Å; N970-L1147 PolarHBondContact OD1-N 3.26Å |
| 971 | R | 91.5 | Very high | 89.6 | Confident | 54 Ų | 54 | 54 Ų | 54 | 20% | 0.204 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -72.8 | -44.1 | 174.2 | -168.8 | -179.2 | -173.3 | -157.5 | 7 | 110 | M967 P968 I969 I973 S974 I975 L1003 N1006 | M967-R971 HydrophobicContact CG-CB 4.07Å; M967-R971 HydrophobicContact CG-CG 4.15Å; M967-R971 HydrophobicContact SD-CB 4.45Å; M967-R971 HydrophobicContact SD-CG 3.89Å; P968-R971 WeakPolarHBondContact O-CA 3.44Å; P968-R971 WeakPolarHBondContact O-CB 3.14Å; P968-R971 PolarHBondContact O-N 2.87Å; I969-R971 VanDerWaalsContact C-N 3.29Å; I969-R971 PolarHBondContact O-N 2.91Å; R971-I973 PolarHBondContact O-N 2.94Å; R971-S974 WeakPolarHBondContact O-CB 3.08Å; R971-S974 PolarHBondContact O-N 3.13Å; R971-I975 HydrophobicContact CG-CD1 4.01Å; R971-I975 WeakPolarHBondContact O-CB 3.26Å; R971-I975 WeakPolarHBondContact O-CG1 3.42Å; R971-I975 PolarHBondContact O-N 2.91Å; R971-L1003 VanDerWaalsContact NH2-CD2 3.34Å; R971-N1006 PolarHBondContact NE-O 2.92Å; R971-N1006 PolarHBondContact NH2-O 3.16Å; R971-N1006 PolarHBondContact NH2-OD1 3.08Å |
| 972 | T | 92.7 | Very high | 90.1 | Very high | 2 Ų | 2 | 51.5 Ų | 51.5 | 1% | 0.012 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -53.6 | -49.2 | 171.1 | -73.9 | 0 | 0 | 0 | 0 | 112.3 | P968 I969 S974 I975 A976 W1078 L1081 L1082 | P968-T972 PolarHBondContact O-N 3.36Å; P968-T972 VanDerWaalsContact O-N 3.09Å; I969-T972 HydrophobicContact CD1-CG2 4.15Å; I969-T972 WeakPolarHBondContact O-CB 3.41Å; I969-T972 PolarHBondContact O-N 3.44Å; T972-S974 PolarHBondContact O-N 2.67Å; T972-I975 PolarHBondContact O-N 3.26Å; T972-A976 WeakPolarHBondContact O-CB 3.4Å; T972-A976 PolarHBondContact O-N 3.11Å; T972-W1078 HydrophobicContact CG2-CE3 4.24Å; T972-W1078 HydrophobicContact CG2-CH2 4.1Å; T972-W1078 HydrophobicContact CG2-CZ3 3.49Å; T972-W1078 VanDerWaalsContact CG2-CZ3 3.49Å; T972-L1081 HydrophobicContact CG2-CB 3.95Å; T972-L1081 WeakPolarHBondContact CG2-O 3.12Å; T972-L1081 PolarHBondContact OG1-O 3Å; T972-L1082 HydrophobicContact CG2-CD2 4.04Å |
| 973 | I | 94.6 | Very high | 90.7 | Very high | 3 Ų | 3 | 47.5 Ų | 47.5 | 2% | 0.015 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -62.9 | -42.6 | 176.9 | -62.3 | 161.3 | 0 | 0 | 0 | 111.2 | I969 R971 A976 S977 W1078 F1116 L1141 L1144 | I969-I973 HydrophobicContact CG1-CD1 4.41Å; I969-I973 VanDerWaalsContact O-CG1 3.29Å; I969-I973 WeakPolarHBondContact O-CG1 3.31Å; I969-I973 PolarHBondContact O-N 3.25Å; R971-I973 PolarHBondContact O-N 2.94Å; I973-A976 PolarHBondContact O-N 3.32Å; I973-S977 VanDerWaalsContact O-CB 3.26Å; I973-S977 WeakPolarHBondContact O-CB 3.49Å; I973-S977 PolarHBondContact O-N 3.25Å; I973-W1078 HydrophobicContact CG1-CH2 4.27Å; I973-F1116 HydrophobicContact CD1-CE1 3.91Å; I973-F1116 HydrophobicContact CD1-CZ 3.9Å; I973-F1116 HydrophobicContact CG1-CE1 3.97Å; I973-F1116 HydrophobicContact CG1-CZ 4.45Å; I973-L1141 WeakPolarHBondContact CG2-O 3.49Å; I973-L1144 HydrophobicContact CD1-CB 4.04Å; I973-L1144 HydrophobicContact CD1-CD1 4.35Å; I973-L1144 HydrophobicContact CG1-CB 4.49Å; I973-L1144 HydrophobicContact CG1-CD1 3.97Å; I973-L1144 HydrophobicContact CG2-CD1 4.45Å |
| 974 | S | 94.7 | Very high | 92 | Very high | 56 Ų | 56 | 37.1 Ų | 37.1 | 39% | 0.392 | 20% | 0.2 | S | C | . | . | H | α-helix | trans | -62.2 | -43.8 | 178.1 | -176 | 0 | 0 | 0 | 0 | 112.4 | N970 R971 T972 S977 Q978 | N970-S974 WeakPolarHBondContact O-CB 3.43Å; N970-S974 PolarHBondContact O-N 3.4Å; N970-S974 VanDerWaalsContact O-N 3.09Å; R971-S974 WeakPolarHBondContact O-CB 3.08Å; R971-S974 PolarHBondContact O-N 3.13Å; T972-S974 PolarHBondContact O-N 2.67Å; S974-S977 PolarHBondContact O-N 2.93Å; S974-Q978 WeakPolarHBondContact O-CG 3.5Å; S974-Q978 PolarHBondContact O-N 3.37Å; S974-Q978 PolarHBondContact O-NE2 3.2Å; S974-Q978 PolarHBondContact OG-NE2 2.98Å |
| 975 | I | 96 | Very high | 93 | Very high | 2 Ų | 2 | 32.6 Ų | 32.6 | 1% | 0.01 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -63.4 | -49.8 | 176.8 | -71.8 | 170.3 | 0 | 0 | 0 | 110 | L956 M967 R971 T972 S977 Q978 I979 L1003 V1009 L1081 | L956-I975 HydrophobicContact CD1-CD1 4.34Å; L956-I975 HydrophobicContact CD1-CG2 4.22Å; L956-I975 HydrophobicContact CD2-CG2 3.87Å; M967-I975 HydrophobicContact CE-CD1 3.85Å; M967-I975 HydrophobicContact SD-CD1 3.57Å; M967-I975 VanDerWaalsContact SD-CD1 3.57Å; R971-I975 HydrophobicContact CG-CD1 4.01Å; R971-I975 WeakPolarHBondContact O-CB 3.26Å; R971-I975 WeakPolarHBondContact O-CG1 3.42Å; R971-I975 PolarHBondContact O-N 2.91Å; T972-I975 PolarHBondContact O-N 3.26Å; I975-S977 VanDerWaalsContact C-N 3.35Å; I975-S977 PolarHBondContact O-N 3.37Å; I975-Q978 PolarHBondContact O-N 3.31Å; I975-I979 HydrophobicContact CG2-CD1 3.73Å; I975-I979 HydrophobicContact CG2-CG1 4.5Å; I975-I979 WeakPolarHBondContact O-CD1 3.4Å; I975-I979 VanDerWaalsContact O-CG1 3.28Å; I975-I979 WeakPolarHBondContact O-CG1 3.25Å; I975-I979 PolarHBondContact O-N 3.2Å; I975-L1003 HydrophobicContact CD1-CD1 3.94Å; I975-L1003 HydrophobicContact CD1-CD2 3.86Å; I975-L1003 HydrophobicContact CG1-CD1 3.88Å; I975-V1009 HydrophobicContact CB-CG2 4.09Å; I975-V1009 HydrophobicContact CG1-CG2 4Å; I975-V1009 HydrophobicContact CG2-CG2 3.88Å; I975-L1081 HydrophobicContact CG2-CD1 4.14Å; I975-L1081 HydrophobicContact CG2-CD2 4.09Å |
| 976 | A | 96.9 | Very high | 94 | Very high | 0 Ų | 0 | 31 Ų | 31 | 0% | 0 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -58.4 | -43.5 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | T972 I973 Q978 I979 A980 F1074 W1078 L1081 L1141 | T972-A976 WeakPolarHBondContact O-CB 3.4Å; T972-A976 PolarHBondContact O-N 3.11Å; I973-A976 PolarHBondContact O-N 3.32Å; A976-Q978 PolarHBondContact O-N 2.97Å; A976-I979 PolarHBondContact O-N 2.88Å; A976-A980 WeakPolarHBondContact O-CB 3.41Å; A976-A980 PolarHBondContact O-N 2.71Å; A976-F1074 HydrophobicContact CB-CE2 4.46Å; A976-F1074 HydrophobicContact CB-CZ 4.14Å; A976-W1078 HydrophobicContact CB-CE3 3.65Å; A976-W1078 HydrophobicContact CB-CZ3 3.57Å; A976-L1081 HydrophobicContact CB-CD1 4.29Å; A976-L1141 HydrophobicContact CB-CD1 4.13Å; A976-L1141 HydrophobicContact CB-CD2 3.89Å |
| 977 | S | 97.3 | Very high | 94.9 | Very high | 4 Ų | 4 | 25.8 Ų | 25.8 | 3% | 0.028 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -63.9 | -38.1 | 177.7 | -174.5 | 0 | 0 | 0 | 0 | 112 | I973 S974 I975 K981 D1142 | I973-S977 VanDerWaalsContact O-CB 3.26Å; I973-S977 WeakPolarHBondContact O-CB 3.49Å; I973-S977 PolarHBondContact O-N 3.25Å; S974-S977 PolarHBondContact O-N 2.93Å; I975-S977 VanDerWaalsContact C-N 3.35Å; I975-S977 PolarHBondContact O-N 3.37Å; S977-K981 WeakPolarHBondContact O-CD 3.48Å; S977-K981 VanDerWaalsContact O-CG 3.26Å; S977-K981 WeakPolarHBondContact O-CG 3.41Å; S977-K981 PolarHBondContact O-N 2.97Å; S977-K981 PolarHBondContact OG-NZ 2.9Å; S977-D1142 PolarHBondContact OG-OD1 3.41Å |
| 978 | Q | 97.8 | Very high | 95.5 | Very high | 30 Ų | 30 | 29.2 Ų | 29.2 | 14% | 0.14 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -69.6 | -41.8 | 174.6 | -77.1 | 180 | 72.6 | 0 | 0 | 113.3 | N930 S974 I975 A976 A980 K981 G982 S1007 V1009 | N930-Q978 PolarHBondContact ND2-OE1 2.79Å; N930-Q978 VanDerWaalsContact ND2-OE1 3.09Å; N930-Q978 PolarHBondContact OD1-O 3.21Å; S974-Q978 WeakPolarHBondContact O-CG 3.5Å; S974-Q978 PolarHBondContact O-N 3.37Å; S974-Q978 PolarHBondContact O-NE2 3.2Å; S974-Q978 PolarHBondContact OG-NE2 2.98Å; I975-Q978 PolarHBondContact O-N 3.31Å; A976-Q978 PolarHBondContact O-N 2.97Å; Q978-A980 VanDerWaalsContact C-N 3.33Å; Q978-A980 PolarHBondContact O-N 3.39Å; Q978-K981 PolarHBondContact O-N 3.06Å; Q978-G982 PolarHBondContact O-N 3.36Å; Q978-S1007 PolarHBondContact NE2-O 3.26Å; Q978-V1009 HydrophobicContact CB-CB 3.93Å; Q978-V1009 HydrophobicContact CB-CG2 3.82Å |
| 979 | I | 98.4 | Very high | 95.7 | Very high | 0 Ų | 0 | 31.2 Ų | 31.2 | 0% | 0 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -60.1 | -47.8 | 174 | -62.2 | 157.8 | 0 | 0 | 0 | 109.4 | L956 I975 A976 K981 G982 M983 L996 L1001 V1009 I1011 F1074 V1077 L1081 | L956-I979 HydrophobicContact CD2-CD1 4.13Å; I975-I979 HydrophobicContact CG2-CD1 3.73Å; I975-I979 HydrophobicContact CG2-CG1 4.5Å; I975-I979 WeakPolarHBondContact O-CD1 3.4Å; I975-I979 VanDerWaalsContact O-CG1 3.28Å; I975-I979 WeakPolarHBondContact O-CG1 3.25Å; I975-I979 PolarHBondContact O-N 3.2Å; A976-I979 PolarHBondContact O-N 2.88Å; I979-K981 VanDerWaalsContact C-N 3.29Å; I979-K981 PolarHBondContact O-N 2.84Å; I979-G982 PolarHBondContact O-N 3.18Å; I979-M983 HydrophobicContact CG2-CG 4.21Å; I979-M983 WeakPolarHBondContact O-CB 3.48Å; I979-M983 WeakPolarHBondContact O-CG 3.27Å; I979-M983 PolarHBondContact O-N 3.46Å; I979-L996 HydrophobicContact CG2-CD1 4.29Å; I979-L1001 HydrophobicContact CD1-CD1 3.7Å; I979-L1001 HydrophobicContact CG1-CD1 4.09Å; I979-L1001 HydrophobicContact CG1-CD2 4.27Å; I979-L1001 HydrophobicContact CG2-CD1 4.46Å; I979-L1001 HydrophobicContact CG2-CD2 4.4Å; I979-V1009 HydrophobicContact CG1-CG1 3.78Å; I979-I1011 HydrophobicContact CG2-CD1 4.43Å; I979-F1074 HydrophobicContact CB-CD2 4.39Å; I979-F1074 HydrophobicContact CB-CE2 4.07Å; I979-F1074 HydrophobicContact CG2-CD2 3.76Å; I979-F1074 HydrophobicContact CG2-CE2 3.96Å; I979-V1077 HydrophobicContact CD1-CG1 3.95Å; I979-L1081 HydrophobicContact CD1-CD1 4.47Å |
| 980 | A | 98.4 | Very high | 95.8 | Very high | 0 Ų | 0 | 32.1 Ų | 32.1 | 0% | 0 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -62 | -33.8 | 179 | 0 | 0 | 0 | 0 | 0 | 113 | A976 Q978 G984 F1074 F1134 V1138 L1141 | A976-A980 WeakPolarHBondContact O-CB 3.41Å; A976-A980 PolarHBondContact O-N 2.71Å; Q978-A980 VanDerWaalsContact C-N 3.33Å; Q978-A980 PolarHBondContact O-N 3.39Å; A980-G984 PolarHBondContact O-N 2.85Å; A980-F1074 HydrophobicContact CB-CE2 4.43Å; A980-F1074 HydrophobicContact CB-CZ 4.37Å; A980-F1134 HydrophobicContact CB-CD1 3.88Å; A980-V1138 HydrophobicContact CB-CG2 3.61Å; A980-L1141 HydrophobicContact CB-CD1 4.05Å |
| 981 | K | 98.4 | Very high | 95.9 | Very high | 74 Ų | 74 | 29.6 Ų | 29.6 | 32% | 0.322 | 18% | 0.176 | S | C | . | . | H | α-helix | trans | -66.5 | -48.6 | 172.6 | -76.3 | 159.9 | 178.8 | 143.2 | 0 | 112.2 | S977 Q978 I979 M983 G984 Y985 V1138 D1142 | S977-K981 WeakPolarHBondContact O-CD 3.48Å; S977-K981 VanDerWaalsContact O-CG 3.26Å; S977-K981 WeakPolarHBondContact O-CG 3.41Å; S977-K981 PolarHBondContact O-N 2.97Å; S977-K981 PolarHBondContact OG-NZ 2.9Å; Q978-K981 PolarHBondContact O-N 3.06Å; I979-K981 VanDerWaalsContact C-N 3.29Å; I979-K981 PolarHBondContact O-N 2.84Å; K981-M983 PolarHBondContact O-N 3.25Å; K981-G984 PolarHBondContact O-N 2.78Å; K981-Y985 PolarHBondContact O-N 3.08Å; K981-V1138 HydrophobicContact CG-CG1 4.33Å; K981-V1138 HydrophobicContact CG-CG2 3.86Å; K981-D1142 IonicContact NZ-OD1 3.42Å; K981-D1142 IonicContact NZ-OD2 2.74Å; K981-D1142 PolarHBondContact NZ-OD2 2.74Å |
| 982 | G | 97.8 | Very high | 95.9 | Very high | 0 Ų | 0 | 28.2 Ų | 28.2 | 0% | 0 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -60.7 | -42.8 | 176 | 0 | 0 | 0 | 0 | 0 | 113.2 | Q978 I979 Y985 L986 | Q978-G982 PolarHBondContact O-N 3.36Å; I979-G982 PolarHBondContact O-N 3.18Å; G982-Y985 WeakPolarHBondContact O-CB 3.46Å; G982-Y985 PolarHBondContact O-N 3.27Å; G982-L986 PolarHBondContact O-N 3.28Å |
| 983 | M | 98.3 | Very high | 96 | Very high | 0 Ų | 0 | 28.1 Ų | 28.1 | 0% | 0 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -66.7 | -41.6 | 175.6 | -71.5 | -57 | -53.7 | 0 | 0 | 112.9 | I979 K981 Y985 L986 H987 H993 L996 I1011 D1070 F1134 | I979-M983 HydrophobicContact CG2-CG 4.21Å; I979-M983 WeakPolarHBondContact O-CB 3.48Å; I979-M983 WeakPolarHBondContact O-CG 3.27Å; I979-M983 PolarHBondContact O-N 3.46Å; K981-M983 PolarHBondContact O-N 3.25Å; M983-Y985 VanDerWaalsContact C-N 3.28Å; M983-Y985 PolarHBondContact O-N 3.35Å; M983-L986 PolarHBondContact O-N 3.16Å; M983-L986 VanDerWaalsContact O-N 3.13Å; M983-L986 HydrophobicContact SD-CD1 4.08Å; M983-H987 PolarHBondContact O-N 3.14Å; M983-H993 HydrophobicContact CE-CB 3.69Å; M983-H993 HydrophobicContact SD-CB 3.97Å; M983-L996 HydrophobicContact CE-CD2 4.17Å; M983-L996 HydrophobicContact CG-CD2 3.98Å; M983-L996 HydrophobicContact SD-CD1 4.07Å; M983-L996 HydrophobicContact SD-CD2 3.91Å; M983-L996 HydrophobicContact SD-CG 4.47Å; M983-I1011 HydrophobicContact CG-CD1 3.97Å; M983-I1011 HydrophobicContact SD-CD1 4.08Å; M983-D1070 HydrophobicContact CE-CB 3.65Å; M983-D1070 WeakPolarHBondContact CE-OD2 3.13Å; M983-F1134 HydrophobicContact CB-CD1 3.71Å; M983-F1134 HydrophobicContact CB-CD2 3.65Å; M983-F1134 HydrophobicContact CB-CE1 3.66Å; M983-F1134 HydrophobicContact CB-CE2 3.62Å; M983-F1134 HydrophobicContact CB-CG 3.69Å; M983-F1134 HydrophobicContact CB-CZ 3.61Å; M983-F1134 HydrophobicContact CE-CE2 3.82Å; M983-F1134 HydrophobicContact CE-CZ 4.1Å; M983-F1134 HydrophobicContact CG-CD1 4.48Å; M983-F1134 HydrophobicContact CG-CE1 3.96Å; M983-F1134 HydrophobicContact CG-CE2 4.17Å; M983-F1134 HydrophobicContact CG-CZ 3.79Å |
| 984 | G | 97.7 | Very high | 95.7 | Very high | 15 Ų | 15 | 30.5 Ų | 30.5 | 16% | 0.155 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -59.6 | -37.2 | 174.1 | 0 | 0 | 0 | 0 | 0 | 112.9 | A980 K981 A988 | A980-G984 PolarHBondContact O-N 2.85Å; K981-G984 PolarHBondContact O-N 2.78Å; G984-A988 VanDerWaalsContact O-CB 3.27Å; G984-A988 WeakPolarHBondContact O-CB 3.36Å; G984-A988 PolarHBondContact O-N 3.32Å |
| 985 | Y | 97.8 | Very high | 95.4 | Very high | 54 Ų | 54 | 29 Ų | 29 | 21% | 0.212 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -64 | -44.9 | 172 | 176.4 | -79.9 | 0 | 0 | 0 | 112.3 | T926 R927 H928 L931 K981 G982 M983 A988 K989 | T926-Y985 HydrophobicContact CG2-CE1 4.36Å; R927-Y985 PolarHBondContact N-OH 2.93Å; R927-Y985 WeakPolarHBondContact O-CE2 3.31Å; R927-Y985 PolarHBondContact O-OH 3.31Å; R927-Y985 VanDerWaalsContact O-OH 3.14Å; H928-Y985 HydrophobicContact CB-CD1 4.03Å; H928-Y985 HydrophobicContact CB-CD2 3.94Å; H928-Y985 HydrophobicContact CB-CE1 4.27Å; H928-Y985 HydrophobicContact CB-CE2 4.15Å; H928-Y985 HydrophobicContact CB-CG 3.87Å; H928-Y985 AromaticContact CD2-CD2 3.7Å; H928-Y985 AromaticContact CD2-CG 3.96Å; H928-Y985 AromaticContact CG-CG 3.95Å; L931-Y985 HydrophobicContact CD1-CD1 3.58Å; L931-Y985 HydrophobicContact CD1-CE1 3.88Å; K981-Y985 PolarHBondContact O-N 3.08Å; G982-Y985 WeakPolarHBondContact O-CB 3.46Å; G982-Y985 PolarHBondContact O-N 3.27Å; M983-Y985 VanDerWaalsContact C-N 3.28Å; M983-Y985 PolarHBondContact O-N 3.35Å; Y985-A988 PolarHBondContact O-N 3.45Å; Y985-K989 HydrophobicContact CD1-CG 4.25Å; Y985-K989 HydrophobicContact CE1-CG 3.85Å; Y985-K989 WeakPolarHBondContact O-CG 3.28Å; Y985-K989 PolarHBondContact O-N 3.37Å; Y985-K989 VanDerWaalsContact O-N 3.12Å |
| 986 | L | 96.3 | Very high | 95.3 | Very high | 0 Ų | 0 | 29 Ų | 29 | 0% | 0 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -61.2 | -46.5 | 177.8 | -71.2 | 175.5 | 0 | 0 | 0 | 111.1 | T926 L931 G982 M983 A988 K989 G990 I991 H993 F1014 | T926-L986 HydrophobicContact CG2-CD2 3.98Å; L931-L986 HydrophobicContact CD1-CD2 3.62Å; L931-L986 HydrophobicContact CD1-CG 3.96Å; L931-L986 HydrophobicContact CD2-CD1 3.89Å; L931-L986 HydrophobicContact CD2-CD2 4.27Å; L931-L986 HydrophobicContact CD2-CG 3.96Å; G982-L986 PolarHBondContact O-N 3.28Å; M983-L986 PolarHBondContact O-N 3.16Å; M983-L986 VanDerWaalsContact O-N 3.13Å; M983-L986 HydrophobicContact SD-CD1 4.08Å; L986-A988 PolarHBondContact O-N 2.81Å; L986-K989 CarbonylContact O-C 3.59Å; L986-K989 WeakPolarHBondContact O-CA 3.4Å; L986-K989 WeakPolarHBondContact O-CB 3.3Å; L986-K989 PolarHBondContact O-N 2.91Å; L986-G990 PolarHBondContact O-N 3.4Å; L986-I991 CarbonylContact C-O 3.5Å; L986-I991 VanDerWaalsContact C-O 3.23Å; L986-I991 HydrophobicContact CB-CB 4.3Å; L986-I991 WeakPolarHBondContact CB-O 3.35Å; L986-I991 HydrophobicContact CD2-CB 4.21Å; L986-I991 HydrophobicContact CD2-CD1 4.32Å; L986-I991 HydrophobicContact CD2-CG2 4.1Å; L986-I991 PolarHBondContact O-N 3.18Å; L986-H993 HydrophobicContact CD1-CB 4.49Å; L986-F1014 HydrophobicContact CD1-CB 3.97Å; L986-F1014 HydrophobicContact CD1-CD1 4.2Å; L986-F1014 HydrophobicContact CD1-CD2 4.33Å; L986-F1014 HydrophobicContact CD1-CG 3.92Å; L986-F1014 HydrophobicContact CD2-CD2 3.79Å; L986-F1014 HydrophobicContact CD2-CE2 3.82Å; L986-F1014 HydrophobicContact CD2-CG 4.18Å; L986-F1014 HydrophobicContact CD2-CZ 4.22Å |
| 987 | H | 96.5 | Very high | 95.2 | Very high | 36 Ų | 36 | 31.1 Ų | 31.1 | 17% | 0.167 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -64.5 | -41.1 | 179.2 | -72 | -163.5 | 0 | 0 | 0 | 111.9 | M983 K989 G990 I991 T1067 D1070 F1134 | M983-H987 PolarHBondContact O-N 3.14Å; H987-K989 PolarHBondContact O-N 2.85Å; H987-G990 PolarHBondContact O-N 3.13Å; H987-I991 PolarHBondContact CD2-O 3.43Å; H987-T1067 HydrophobicContact CB-CG2 4.22Å; H987-T1067 VanDerWaalsContact CE1-CA 3.4Å; H987-T1067 WeakPolarHBondContact CE1-CA 3.38Å; H987-T1067 WeakPolarHBondContact CE1-CB 3.5Å; H987-T1067 PolarHBondContact CE1-O 3.12Å; H987-T1067 WeakPolarHBondContact ND1-CB 3.23Å; H987-T1067 WeakPolarHBondContact ND1-CG2 3.45Å; H987-D1070 IonicContact CD2-OD2 3.71Å; H987-D1070 IonicContact CE1-OD2 2.77Å; H987-D1070 IonicContact NE2-OD2 3.86Å; H987-D1070 PolarHBondContact NE2-OD2 3.46Å; H987-F1134 AromaticContact CE1-CD2 3.46Å; H987-F1134 VanDerWaalsContact CE1-CD2 3.46Å; H987-F1134 WeakPolarHBondContact CE1-CD2 3Å; H987-F1134 AromaticContact CE1-CE2 3.4Å; H987-F1134 VanDerWaalsContact CE1-CE2 3.4Å; H987-F1134 WeakPolarHBondContact CE1-CE2 3.38Å; H987-F1134 AromaticContact ND1-CD2 3.5Å; H987-F1134 AromaticContact ND1-CE2 3.96Å; H987-F1134 AromaticContact NE2-CE2 3.99Å |
| 988 | A | 96 | Very high | 95 | Very high | 90 Ų | 90 | 31 Ų | 31 | 74% | 0.744 | 18% | 0.178 | S | C | * | . | H | α-helix | trans | -65.5 | -13.9 | 172.7 | 0 | 0 | 0 | 0 | 0 | 114 | G984 Y985 L986 | G984-A988 VanDerWaalsContact O-CB 3.27Å; G984-A988 WeakPolarHBondContact O-CB 3.36Å; G984-A988 PolarHBondContact O-N 3.32Å; Y985-A988 PolarHBondContact O-N 3.45Å; L986-A988 PolarHBondContact O-N 2.81Å |
| 989 | K | 93.8 | Very high | 94.7 | Very high | 119 Ų | 119 | 34.5 Ų | 34.5 | 52% | 0.517 | 19% | 0.19 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -95.4 | 0.2 | 170.2 | -72.2 | -70.9 | -172.5 | 173 | 0 | 113.7 | Y985 L986 H987 I991 | Y985-K989 HydrophobicContact CD1-CG 4.25Å; Y985-K989 HydrophobicContact CE1-CG 3.85Å; Y985-K989 WeakPolarHBondContact O-CG 3.28Å; Y985-K989 PolarHBondContact O-N 3.37Å; Y985-K989 VanDerWaalsContact O-N 3.12Å; L986-K989 CarbonylContact O-C 3.59Å; L986-K989 WeakPolarHBondContact O-CA 3.4Å; L986-K989 WeakPolarHBondContact O-CB 3.3Å; L986-K989 PolarHBondContact O-N 2.91Å; H987-K989 PolarHBondContact O-N 2.85Å; K989-I991 VanDerWaalsContact C-N 3.31Å; K989-I991 HydrophobicContact CB-CD1 4.07Å; K989-I991 HydrophobicContact CB-CG1 4.07Å |
| 990 | G | 91.6 | Very high | 94.4 | Very high | 70 Ų | 70 | 35.2 Ų | 35.2 | 72% | 0.722 | 19% | 0.194 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 73.1 | 20.7 | -173.5 | 0 | 0 | 0 | 0 | 0 | 113.9 | L986 H987 | L986-G990 PolarHBondContact O-N 3.4Å; H987-G990 PolarHBondContact O-N 3.13Å |
| 991 | I | 91.5 | Very high | 94.2 | Very high | 12 Ų | 12 | 35.2 Ų | 35.2 | 6% | 0.062 | 19% | 0.194 | C | C | . | . | trans | -105.2 | 118.8 | -179 | -54.3 | 176.5 | 0 | 0 | 0 | 109 | L922 T926 L986 H987 K989 F1014 | L922-I991 HydrophobicContact CD2-CD1 4.21Å; L922-I991 HydrophobicContact CD2-CG1 4.12Å; L922-I991 HydrophobicContact CD2-CG2 4.45Å; T926-I991 HydrophobicContact CG2-CD1 3.56Å; L986-I991 CarbonylContact C-O 3.5Å; L986-I991 VanDerWaalsContact C-O 3.23Å; L986-I991 HydrophobicContact CB-CB 4.3Å; L986-I991 WeakPolarHBondContact CB-O 3.35Å; L986-I991 HydrophobicContact CD2-CB 4.21Å; L986-I991 HydrophobicContact CD2-CD1 4.32Å; L986-I991 HydrophobicContact CD2-CG2 4.1Å; L986-I991 PolarHBondContact O-N 3.18Å; H987-I991 PolarHBondContact CD2-O 3.43Å; K989-I991 VanDerWaalsContact C-N 3.31Å; K989-I991 HydrophobicContact CB-CD1 4.07Å; K989-I991 HydrophobicContact CB-CG1 4.07Å; I991-F1014 HydrophobicContact CG2-CD2 4.41Å | ||
| 992 | V | 92.3 | Very high | 94.1 | Very high | 26 Ų | 26 | 34.1 Ų | 34.1 | 16% | 0.158 | 19% | 0.189 | C | C | . | . | trans | -87.8 | 136.5 | 168.6 | -176.4 | 0 | 0 | 0 | 0 | 108.1 | R994 G1015 T1067 D1070 | V992-R994 HydrophobicContact CB-CG 4.09Å; V992-R994 HydrophobicContact CG1-CG 3.78Å; V992-G1015 WeakPolarHBondContact O-CA 3.29Å; V992-T1067 HydrophobicContact CG2-CG2 4.24Å; V992-D1070 WeakPolarHBondContact CA-OD2 3.35Å; V992-D1070 VanDerWaalsContact CG1-OD2 3.28Å; V992-D1070 WeakPolarHBondContact CG1-OD2 3.29Å | ||
| 993 | H | 93.3 | Very high | 93.9 | Very high | 0 Ų | 0 | 34.4 Ų | 34.4 | 0% | 0 | 19% | 0.19 | C | C | . | . | trans | -72.6 | -39 | -179.5 | -176.2 | -26.9 | 0 | 0 | 0 | 111.8 | M983 L986 D995 L996 I1011 G1012 D1013 F1014 G1015 D1070 | M983-H993 HydrophobicContact CE-CB 3.69Å; M983-H993 HydrophobicContact SD-CB 3.97Å; L986-H993 HydrophobicContact CD1-CB 4.49Å; H993-D995 PolarHBondContact CE1-O 3.33Å; H993-D995 PolarHBondContact O-N 2.91Å; H993-L996 HydrophobicContact CB-CB 4.38Å; H993-I1011 VanDerWaalsContact NE2-CG2 3.29Å; H993-I1011 WeakPolarHBondContact NE2-CG2 3.29Å; H993-G1012 PolarHBondContact CE1-O 3.21Å; H993-G1012 PolarHBondContact NE2-O 3.33Å; H993-D1013 PolarHBondContact CE1-O 3.25Å; H993-F1014 HydrophobicContact CB-CB 4.14Å; H993-F1014 WeakPolarHBondContact ND1-CA 3.36Å; H993-G1015 PolarHBondContact O-N 3.3Å; H993-D1070 PolarHBondContact N-OD1 3.22Å; H993-D1070 PolarHBondContact N-OD2 2.77Å | ||
| 994 | R | 89.6 | Confident | 93.5 | Very high | 52 Ų | 52 | 34.6 Ų | 34.6 | 20% | 0.196 | 19% | 0.192 | C | C | . | . | S | Bend | trans | 69.6 | -10.9 | 174.8 | -57.5 | 177.9 | 164.5 | -163.8 | -10.4 | 116.7 | V992 F1017 E1062 L1065 D1070 | V992-R994 HydrophobicContact CB-CG 4.09Å; V992-R994 HydrophobicContact CG1-CG 3.78Å; R994-F1017 HydrophobicContact CB-CB 3.68Å; R994-E1062 IonicContact CZ-OE2 3.95Å; R994-E1062 IonicContact NH1-OE1 3.17Å; R994-E1062 IonicContact NH1-OE2 3.25Å; R994-E1062 PolarHBondContact NH1-OE2 3.35Å; R994-E1062 IonicContact NH2-OE2 2.69Å; R994-E1062 PolarHBondContact NH2-OE2 3.05Å; R994-L1065 HydrophobicContact CB-CD1 4.07Å; R994-L1065 HydrophobicContact CG-CB 3.99Å; R994-L1065 HydrophobicContact CG-CD1 4.11Å; R994-D1070 PolarHBondContact N-OD1 3.12Å |
| 995 | D | 88 | Confident | 92.9 | Very high | 24 Ų | 24 | 40 Ų | 40 | 13% | 0.128 | 22% | 0.217 | C | C | . | . | trans | -151.7 | 38.7 | -177.2 | -168.2 | 42.4 | 0 | 0 | 0 | 111.2 | H993 K997 N1000 F1017 | H993-D995 PolarHBondContact CE1-O 3.33Å; H993-D995 PolarHBondContact O-N 2.91Å; D995-K997 PolarHBondContact O-N 3.01Å; D995-K997 VanDerWaalsContact O-N 3.15Å; D995-K997 WeakPolarHBondContact OD1-CE 3.42Å; D995-K997 IonicContact OD1-NZ 2.71Å; D995-K997 PolarHBondContact OD1-NZ 3.36Å; D995-K997 WeakPolarHBondContact OD2-CE 3.46Å; D995-K997 IonicContact OD2-NZ 2.66Å; D995-K997 PolarHBondContact OD2-NZ 2.95Å; D995-N1000 PolarHBondContact O-ND2 3.12Å; D995-N1000 PolarHBondContact OD2-ND2 3.04Å; D995-F1017 HydrophobicContact CB-CD2 4.3Å | ||
| 996 | L | 94.9 | Very high | 92 | Very high | 2 Ų | 2 | 42.8 Ų | 42.8 | 1% | 0.01 | 24% | 0.235 | C | C | . | . | trans | -69.9 | 108.1 | -179.3 | 176.1 | 63.7 | 0 | 0 | 0 | 110.6 | I979 M983 H993 L1001 Y1041 A1073 F1074 F1134 | I979-L996 HydrophobicContact CG2-CD1 4.29Å; M983-L996 HydrophobicContact CE-CD2 4.17Å; M983-L996 HydrophobicContact CG-CD2 3.98Å; M983-L996 HydrophobicContact SD-CD1 4.07Å; M983-L996 HydrophobicContact SD-CD2 3.91Å; M983-L996 HydrophobicContact SD-CG 4.47Å; H993-L996 HydrophobicContact CB-CB 4.38Å; L996-L1001 HydrophobicContact CD1-CD1 4.37Å; L996-L1001 HydrophobicContact CD1-CD2 3.96Å; L996-L1001 HydrophobicContact CD1-CG 4.4Å; L996-Y1041 WeakPolarHBondContact O-CD1 3.39Å; L996-A1073 HydrophobicContact CB-CB 4.17Å; L996-A1073 WeakPolarHBondContact O-CB 3.25Å; L996-F1074 HydrophobicContact CD2-CB 3.88Å; L996-F1134 HydrophobicContact CD2-CZ 4.31Å | ||
| 997 | K | 93.3 | Very high | 91.6 | Very high | 46 Ų | 46 | 46.3 Ų | 46.3 | 20% | 0.2 | 26% | 0.26 | C | S | . | . | trans | -150.5 | 160 | 179.6 | 64.6 | -163.6 | 170.4 | -157.2 | 0 | 111.9 | D995 R999 N1000 Y1041 | D995-K997 PolarHBondContact O-N 3.01Å; D995-K997 VanDerWaalsContact O-N 3.15Å; D995-K997 WeakPolarHBondContact OD1-CE 3.42Å; D995-K997 IonicContact OD1-NZ 2.71Å; D995-K997 PolarHBondContact OD1-NZ 3.36Å; D995-K997 WeakPolarHBondContact OD2-CE 3.46Å; D995-K997 IonicContact OD2-NZ 2.66Å; D995-K997 PolarHBondContact OD2-NZ 2.95Å; K997-R999 HydrophobicContact CG-CB 4.26Å; K997-R999 PolarHBondContact O-N 3.47Å; K997-N1000 WeakPolarHBondContact CE-OD1 3.49Å; K997-N1000 HydrophobicContact CG-CB 4.39Å; K997-N1000 PolarHBondContact O-N 2.98Å; K997-Y1041 VanDerWaalsContact CA-CE1 3.48Å; K997-Y1041 HydrophobicContact CB-CD1 3.9Å; K997-Y1041 HydrophobicContact CB-CD2 4.36Å; K997-Y1041 HydrophobicContact CB-CE1 3.63Å; K997-Y1041 HydrophobicContact CB-CE2 4.14Å; K997-Y1041 HydrophobicContact CB-CG 4.24Å | ||
| 998 | T | 94.1 | Very high | 91.5 | Very high | 1 Ų | 1 | 48.1 Ų | 48.1 | 1% | 0.006 | 27% | 0.265 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -62.4 | -16 | -175.6 | 56.5 | 0 | 0 | 0 | 0 | 114.9 | L956 Y957 I960 Y1041 V1077 E1080 | L956-T998 HydrophobicContact CD2-CG2 4.13Å; L956-T998 HydrophobicContact CG-CG2 4.28Å; L956-T998 PolarHBondContact N-O 3.2Å; Y957-T998 PolarHBondContact N-O 3.14Å; I960-T998 HydrophobicContact CD1-CG2 4.1Å; T998-Y1041 PolarHBondContact N-OH 2.93Å; T998-Y1041 PolarHBondContact OG1-OH 3.46Å; T998-V1077 HydrophobicContact CG2-CB 4.38Å; T998-V1077 HydrophobicContact CG2-CG1 3.93Å; T998-V1077 HydrophobicContact CG2-CG2 4.14Å; T998-E1080 VanDerWaalsContact CB-OE2 3.3Å; T998-E1080 WeakPolarHBondContact CB-OE2 3.03Å; T998-E1080 HydrophobicContact CG2-CB 4.44Å; T998-E1080 WeakPolarHBondContact CG2-OE2 3.32Å; T998-E1080 PolarHBondContact OG1-OE2 2.97Å |
| 999 | R | 90.5 | Very high | 91.5 | Very high | 104 Ų | 104 | 43.9 Ų | 43.9 | 39% | 0.392 | 23% | 0.23 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -74 | -27 | 170.2 | -62.4 | 179.7 | -175.9 | -88.7 | -2.6 | 113.8 | T955 Y957 K997 Y1086 | T955-R999 VanDerWaalsContact CG2-O 3.3Å; T955-R999 WeakPolarHBondContact CG2-O 3.41Å; Y957-R999 HydrophobicContact CD1-CG 4.19Å; Y957-R999 HydrophobicContact CD2-CG 4.3Å; Y957-R999 VanDerWaalsContact CE1-NH1 3.35Å; Y957-R999 HydrophobicContact CG-CG 3.76Å; Y957-R999 PolarHBondContact OH-NH2 3.16Å; K997-R999 HydrophobicContact CG-CB 4.26Å; K997-R999 PolarHBondContact O-N 3.47Å; R999-Y1086 PolarHBondContact NH2-OH 2.87Å |
| 1000 | N | 92.2 | Very high | 91.6 | Very high | 15 Ų | 15 | 38.3 Ų | 38.3 | 8% | 0.08 | 21% | 0.206 | C | C | . | . | S | Bend | trans | -96.8 | 7.2 | -179 | -59 | 14.7 | 0 | 0 | 0 | 111.6 | D995 K997 G1012 | D995-N1000 PolarHBondContact O-ND2 3.12Å; D995-N1000 PolarHBondContact OD2-ND2 3.04Å; K997-N1000 WeakPolarHBondContact CE-OD1 3.49Å; K997-N1000 HydrophobicContact CG-CB 4.39Å; K997-N1000 PolarHBondContact O-N 2.98Å; N1000-G1012 PolarHBondContact O-N 3.15Å |
| 1001 | L | 95.4 | Very high | 91.8 | Very high | 0 Ų | 0 | 35 Ų | 35 | 0% | 0 | 17% | 0.172 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.2 | 128.7 | 178.8 | -63 | 177.1 | 0 | 0 | 0 | 109 | T955 L956 I979 L996 I1011 V1077 | T955-L1001 CarbonylContact C-O 3.49Å; T955-L1001 WeakPolarHBondContact CA-O 3.3Å; L956-L1001 HydrophobicContact CB-CB 3.94Å; L956-L1001 HydrophobicContact CD2-CB 4.25Å; L956-L1001 HydrophobicContact CD2-CD1 3.89Å; L956-L1001 PolarHBondContact N-O 3.38Å; I979-L1001 HydrophobicContact CD1-CD1 3.7Å; I979-L1001 HydrophobicContact CG1-CD1 4.09Å; I979-L1001 HydrophobicContact CG1-CD2 4.27Å; I979-L1001 HydrophobicContact CG2-CD1 4.46Å; I979-L1001 HydrophobicContact CG2-CD2 4.4Å; L996-L1001 HydrophobicContact CD1-CD1 4.37Å; L996-L1001 HydrophobicContact CD1-CD2 3.96Å; L996-L1001 HydrophobicContact CD1-CG 4.4Å; L1001-I1011 HydrophobicContact CD2-CB 4.09Å; L1001-I1011 HydrophobicContact CD2-CG1 3.61Å; L1001-I1011 HydrophobicContact CD2-CG2 4.04Å; L1001-V1077 HydrophobicContact CD1-CG1 3.95Å; L1001-V1077 HydrophobicContact CD1-CG2 4.17Å |
| 1002 | F | 94.9 | Very high | 91.7 | Very high | 51 Ų | 51 | 34.6 Ų | 34.6 | 22% | 0.224 | 17% | 0.171 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.6 | 146.7 | 178.6 | -62.6 | -97.4 | 0 | 0 | 0 | 110.9 | E954 T955 V1009 V1010 | E954-F1002 WeakPolarHBondContact O-CA 3.27Å; T955-F1002 HydrophobicContact CG2-CD1 3.86Å; T955-F1002 HydrophobicContact CG2-CE1 3.51Å; T955-F1002 HydrophobicContact CG2-CZ 3.92Å; F1002-V1009 CarbonylContact O-C 3.59Å; F1002-V1009 VanDerWaalsContact O-CA 3.31Å; F1002-V1009 WeakPolarHBondContact O-CA 3.44Å; F1002-V1010 HydrophobicContact CB-CB 4.42Å; F1002-V1010 PolarHBondContact N-O 2.98Å; F1002-V1010 PolarHBondContact O-N 3.46Å |
| 1003 | L | 93.8 | Very high | 91.2 | Very high | 5 Ų | 5 | 36.5 Ų | 36.5 | 3% | 0.026 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118 | 87.8 | 177.8 | -170.7 | 70.4 | 0 | 0 | 0 | 111.6 | G953 E954 L959 R971 I975 R1008 V1009 | G953-L1003 WeakPolarHBondContact CA-O 3.5Å; E954-L1003 PolarHBondContact O-N 2.91Å; L959-L1003 HydrophobicContact CD1-CB 3.7Å; L959-L1003 HydrophobicContact CD1-CD2 3.73Å; L959-L1003 HydrophobicContact CD1-CG 4.33Å; R971-L1003 VanDerWaalsContact NH2-CD2 3.34Å; I975-L1003 HydrophobicContact CD1-CD1 3.94Å; I975-L1003 HydrophobicContact CD1-CD2 3.86Å; I975-L1003 HydrophobicContact CG1-CD1 3.88Å; L1003-R1008 CarbonylContact C-O 3.58Å; L1003-R1008 WeakPolarHBondContact CA-O 3.34Å; L1003-V1009 HydrophobicContact CD1-CG2 3.85Å |
| 1004 | E | 90.9 | Very high | 90.6 | Very high | 5 Ų | 5 | 36.6 Ų | 36.6 | 2% | 0.023 | 18% | 0.181 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -71.4 | 145.9 | 177.5 | -57.2 | -165.9 | 113.8 | 0 | 0 | 112.1 | S951 R952 N1006 S1007 R1008 V1010 | S951-E1004 WeakPolarHBondContact CA-OE1 3.46Å; R952-E1004 PolarHBondContact N-OE1 3.02Å; E1004-N1006 PolarHBondContact O-N 3.13Å; E1004-S1007 PolarHBondContact O-N 2.88Å; E1004-R1008 HydrophobicContact CB-CB 4.38Å; E1004-R1008 PolarHBondContact N-O 2.91Å; E1004-R1008 PolarHBondContact O-N 3.22Å; E1004-R1008 IonicContact OE2-CZ 3.97Å; E1004-R1008 VanDerWaalsContact OE2-CZ 3.31Å; E1004-R1008 IonicContact OE2-NE 2.62Å; E1004-R1008 IonicContact OE2-NH1 3.31Å; E1004-R1008 PolarHBondContact OE2-NH1 2.91Å; E1004-R1008 IonicContact OE2-NH2 3.74Å; E1004-V1010 HydrophobicContact CG-CG2 4.11Å; E1004-V1010 WeakPolarHBondContact OE2-CG2 3.36Å |
| 1005 | D | 84.8 | Confident | 89.7 | Confident | 128 Ų | 128 | 34.5 Ų | 34.5 | 68% | 0.684 | 18% | 0.175 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 46 | 37.6 | 174.6 | -58.3 | -31.9 | 0 | 0 | 0 | 113.5 | S1007 | D1005-S1007 WeakPolarHBondContact O-CB 3.47Å; D1005-S1007 PolarHBondContact O-N 3.47Å; D1005-S1007 PolarHBondContact O-OG 2.63Å |
| 1006 | N | 79.3 | Confident | 88.7 | Confident | 112 Ų | 112 | 34.4 Ų | 34.4 | 60% | 0.599 | 18% | 0.175 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 55.5 | 5 | -174.5 | -87.2 | -53.2 | 0 | 0 | 0 | 116.5 | R971 E1004 | R971-N1006 PolarHBondContact NE-O 2.92Å; R971-N1006 PolarHBondContact NH2-O 3.16Å; R971-N1006 PolarHBondContact NH2-OD1 3.08Å; E1004-N1006 PolarHBondContact O-N 3.13Å |
| 1007 | S | 86.8 | Confident | 87.4 | Confident | 75 Ų | 75 | 35.6 Ų | 35.6 | 52% | 0.524 | 18% | 0.181 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -144.3 | -29.8 | -161.5 | 56.4 | 0 | 0 | 0 | 0 | 116 | Q978 E1004 D1005 | Q978-S1007 PolarHBondContact NE2-O 3.26Å; E1004-S1007 PolarHBondContact O-N 2.88Å; D1005-S1007 WeakPolarHBondContact O-CB 3.47Å; D1005-S1007 PolarHBondContact O-N 3.47Å; D1005-S1007 PolarHBondContact O-OG 2.63Å |
| 1008 | R | 94 | Very high | 86.1 | Confident | 73 Ų | 73 | 35.8 Ų | 35.8 | 28% | 0.275 | 18% | 0.184 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.9 | 123.5 | -179.7 | 175.4 | 178.8 | 171 | -128.4 | -13.7 | 110.6 | E929 L1003 E1004 V1010 | E929-R1008 PolarHBondContact O-NE 3.37Å; E929-R1008 PolarHBondContact O-NH2 3.34Å; L1003-R1008 CarbonylContact C-O 3.58Å; L1003-R1008 WeakPolarHBondContact CA-O 3.34Å; E1004-R1008 HydrophobicContact CB-CB 4.38Å; E1004-R1008 PolarHBondContact N-O 2.91Å; E1004-R1008 PolarHBondContact O-N 3.22Å; E1004-R1008 IonicContact OE2-CZ 3.97Å; E1004-R1008 VanDerWaalsContact OE2-CZ 3.31Å; E1004-R1008 IonicContact OE2-NE 2.62Å; E1004-R1008 IonicContact OE2-NH1 3.31Å; E1004-R1008 PolarHBondContact OE2-NH1 2.91Å; E1004-R1008 IonicContact OE2-NH2 3.74Å; R1008-V1010 HydrophobicContact CG-CG2 4.33Å |
| 1009 | V | 96.6 | Very high | 84.7 | Confident | 1 Ų | 1 | 36.2 Ų | 36.2 | 1% | 0.006 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.2 | 139.6 | 172.9 | -170.7 | 0 | 0 | 0 | 0 | 110.6 | N930 I975 Q978 I979 F1002 L1003 | N930-V1009 VanDerWaalsContact CA-O 3.28Å; N930-V1009 WeakPolarHBondContact CA-O 3.49Å; N930-V1009 PolarHBondContact ND2-O 3.44Å; I975-V1009 HydrophobicContact CB-CG2 4.09Å; I975-V1009 HydrophobicContact CG1-CG2 4Å; I975-V1009 HydrophobicContact CG2-CG2 3.88Å; Q978-V1009 HydrophobicContact CB-CB 3.93Å; Q978-V1009 HydrophobicContact CB-CG2 3.82Å; I979-V1009 HydrophobicContact CG1-CG1 3.78Å; F1002-V1009 CarbonylContact O-C 3.59Å; F1002-V1009 VanDerWaalsContact O-CA 3.31Å; F1002-V1009 WeakPolarHBondContact O-CA 3.44Å; L1003-V1009 HydrophobicContact CD1-CG2 3.85Å |
| 1010 | V | 95.7 | Very high | 83.2 | Confident | 3 Ų | 3 | 35.4 Ų | 35.4 | 2% | 0.018 | 19% | 0.192 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.1 | 124.1 | 173.8 | -179.2 | 0 | 0 | 0 | 0 | 109.6 | V932 F1002 E1004 R1008 | V932-V1010 HydrophobicContact CB-CG1 4.02Å; F1002-V1010 HydrophobicContact CB-CB 4.42Å; F1002-V1010 PolarHBondContact N-O 2.98Å; F1002-V1010 PolarHBondContact O-N 3.46Å; E1004-V1010 HydrophobicContact CG-CG2 4.11Å; E1004-V1010 WeakPolarHBondContact OE2-CG2 3.36Å; R1008-V1010 HydrophobicContact CG-CG2 4.33Å |
| 1011 | I | 95.4 | Very high | 81.7 | Confident | 0 Ų | 0 | 38.7 Ų | 38.7 | 0% | 0 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.4 | 129.8 | 176.8 | -50.4 | 173.4 | 0 | 0 | 0 | 109.7 | N930 L931 V932 I979 M983 H993 L1001 F1014 | N930-I1011 VanDerWaalsContact O-CG1 3.3Å; N930-I1011 WeakPolarHBondContact O-CG1 3.45Å; N930-I1011 PolarHBondContact O-N 3.4Å; L931-I1011 HydrophobicContact CD2-CB 3.87Å; L931-I1011 HydrophobicContact CD2-CD1 4.03Å; L931-I1011 HydrophobicContact CD2-CG1 4.34Å; L931-I1011 HydrophobicContact CD2-CG2 4.49Å; V932-I1011 PolarHBondContact N-O 3.02Å; I979-I1011 HydrophobicContact CG2-CD1 4.43Å; M983-I1011 HydrophobicContact CG-CD1 3.97Å; M983-I1011 HydrophobicContact SD-CD1 4.08Å; H993-I1011 VanDerWaalsContact NE2-CG2 3.29Å; H993-I1011 WeakPolarHBondContact NE2-CG2 3.29Å; L1001-I1011 HydrophobicContact CD2-CB 4.09Å; L1001-I1011 HydrophobicContact CD2-CG1 3.61Å; L1001-I1011 HydrophobicContact CD2-CG2 4.04Å; I1011-F1014 HydrophobicContact CG2-CD1 4.42Å |
| 1012 | G | 90.3 | Very high | 80.4 | Confident | 4 Ų | 4 | 39.6 Ų | 39.6 | 4% | 0.041 | 21% | 0.208 | C | C | . | . | trans | -117.8 | 178.1 | 174.7 | 0 | 0 | 0 | 0 | 0 | 113.6 | H993 N1000 F1014 | H993-G1012 PolarHBondContact CE1-O 3.21Å; H993-G1012 PolarHBondContact NE2-O 3.33Å; N1000-G1012 PolarHBondContact O-N 3.15Å; G1012-F1014 VanDerWaalsContact C-N 3.31Å; G1012-F1014 PolarHBondContact O-N 3.1Å; G1012-F1014 VanDerWaalsContact O-N 3.17Å | ||
| 1013 | D | 82.3 | Confident | 79 | Confident | 65 Ų | 65 | 38.3 Ų | 38.3 | 35% | 0.348 | 21% | 0.205 | S | C | . | . | S | Bend | trans | 46.4 | 44.8 | 173.8 | -68.4 | -61.7 | 0 | 0 | 0 | 115.4 | K898 H993 | K898-D1013 IonicContact NZ-OD1 3.47Å; K898-D1013 PolarHBondContact NZ-OD1 3.36Å; H993-D1013 PolarHBondContact CE1-O 3.25Å |
| 1014 | F | 80.8 | Confident | 77.7 | Confident | 3 Ų | 3 | 42.9 Ų | 42.9 | 1% | 0.013 | 23% | 0.225 | C | C | . | . | trans | -92.7 | 144.4 | 178.3 | 54.5 | -103 | 0 | 0 | 0 | 113.8 | L923 T926 L931 V932 L986 I991 H993 I1011 G1012 V1016 | L923-F1014 HydrophobicContact CD2-CE1 4.34Å; L923-F1014 HydrophobicContact CD2-CE2 3.78Å; L923-F1014 HydrophobicContact CD2-CZ 3.65Å; T926-F1014 HydrophobicContact CG2-CE2 3.85Å; T926-F1014 HydrophobicContact CG2-CZ 4.16Å; T926-F1014 WeakPolarHBondContact OG1-CZ 3.35Å; L931-F1014 HydrophobicContact CB-CE1 4.19Å; L931-F1014 HydrophobicContact CD1-CE1 4.41Å; L931-F1014 HydrophobicContact CD1-CZ 4.32Å; L931-F1014 HydrophobicContact CD2-CD1 4.29Å; L931-F1014 HydrophobicContact CD2-CE1 4Å; L931-F1014 HydrophobicContact CG-CE1 4.42Å; V932-F1014 HydrophobicContact CG1-CE1 4.11Å; L986-F1014 HydrophobicContact CD1-CB 3.97Å; L986-F1014 HydrophobicContact CD1-CD1 4.2Å; L986-F1014 HydrophobicContact CD1-CD2 4.33Å; L986-F1014 HydrophobicContact CD1-CG 3.92Å; L986-F1014 HydrophobicContact CD2-CD2 3.79Å; L986-F1014 HydrophobicContact CD2-CE2 3.82Å; L986-F1014 HydrophobicContact CD2-CG 4.18Å; L986-F1014 HydrophobicContact CD2-CZ 4.22Å; I991-F1014 HydrophobicContact CG2-CD2 4.41Å; H993-F1014 HydrophobicContact CB-CB 4.14Å; H993-F1014 WeakPolarHBondContact ND1-CA 3.36Å; I1011-F1014 HydrophobicContact CG2-CD1 4.42Å; G1012-F1014 VanDerWaalsContact C-N 3.31Å; G1012-F1014 PolarHBondContact O-N 3.1Å; G1012-F1014 VanDerWaalsContact O-N 3.17Å; F1014-V1016 VanDerWaalsContact C-N 3.28Å; F1014-V1016 PolarHBondContact O-N 3.05Å | ||
| 1015 | G | 69 | Low | 76.1 | Confident | 8 Ų | 8 | 50.7 Ų | 50.7 | 8% | 0.082 | 26% | 0.259 | C | S | . | . | S | Bend | trans | 83.8 | -8.4 | 174.9 | 0 | 0 | 0 | 0 | 0 | 115.2 | V992 H993 | V992-G1015 WeakPolarHBondContact O-CA 3.29Å; H993-G1015 PolarHBondContact O-N 3.3Å |
| 1016 | V | 66.8 | Low | 75.1 | Confident | 21 Ų | 21 | 46 Ų | 46 | 13% | 0.127 | 24% | 0.237 | C | C | . | . | trans | -116.5 | 79.6 | -174.2 | -166.4 | 0 | 0 | 0 | 0 | 111 | F883 E919 F1014 | F883-V1016 HydrophobicContact CD1-CG1 3.97Å; F883-V1016 HydrophobicContact CE1-CG1 3.53Å; F883-V1016 HydrophobicContact CE2-CG1 4.44Å; F883-V1016 HydrophobicContact CZ-CG1 3.8Å; F883-V1016 WeakPolarHBondContact CZ-O 3.32Å; E919-V1016 HydrophobicContact CB-CG2 3.63Å; E919-V1016 HydrophobicContact CG-CG2 3.51Å; F1014-V1016 VanDerWaalsContact C-N 3.28Å; F1014-V1016 PolarHBondContact O-N 3.05Å | ||
| 1017 | F | 69.1 | Low | 73.5 | Confident | 28 Ų | 28 | 49.5 Ų | 49.5 | 12% | 0.123 | 25% | 0.247 | C | C | . | . | trans | -117.8 | 132 | 166.9 | -172.8 | -92.8 | 0 | 0 | 0 | 109.3 | R994 D995 F1019 L1022 W1038 L1063 L1065 | R994-F1017 HydrophobicContact CB-CB 3.68Å; D995-F1017 HydrophobicContact CB-CD2 4.3Å; F1017-F1019 HydrophobicContact CE1-CB 3.89Å; F1017-F1019 HydrophobicContact CE1-CD2 4.28Å; F1017-L1022 HydrophobicContact CZ-CD1 4.03Å; F1017-L1022 HydrophobicContact CZ-CG 4.31Å; F1017-W1038 HydrophobicContact CE1-CZ2 4.16Å; F1017-W1038 AromaticContact CE2-CE2 3.98Å; F1017-W1038 AromaticContact CE2-CZ2 3.63Å; F1017-W1038 HydrophobicContact CE2-CZ2 3.63Å; F1017-W1038 AromaticContact CE2-NE1 3.95Å; F1017-W1038 AromaticContact CZ-CH2 3.92Å; F1017-W1038 HydrophobicContact CZ-CH2 3.92Å; F1017-W1038 AromaticContact CZ-CZ2 3.29Å; F1017-W1038 HydrophobicContact CZ-CZ2 3.29Å; F1017-L1063 HydrophobicContact CE1-CD1 4Å; F1017-L1065 HydrophobicContact CD1-CD1 3.92Å | ||
| 1018 | N | 64.9 | Low | 72 | Confident | 50 Ų | 50 | 51.7 Ų | 51.7 | 27% | 0.267 | 24% | 0.244 | S | C | . | . | trans | -128.3 | 104.2 | 176.3 | -177.2 | -16.3 | 0 | 0 | 0 | 109.5 | V1020 R1021 | N1018-V1020 VanDerWaalsContact C-N 3.25Å; N1018-V1020 PolarHBondContact O-N 3.17Å; N1018-V1020 VanDerWaalsContact OD1-CB 3.29Å; N1018-V1020 WeakPolarHBondContact OD1-CB 3.3Å; N1018-V1020 WeakPolarHBondContact OD1-CG2 3.33Å; N1018-V1020 PolarHBondContact OD1-N 3.39Å; N1018-R1021 HydrophobicContact CB-CG 4.37Å; N1018-R1021 PolarHBondContact O-N 3.14Å; N1018-R1021 VanDerWaalsContact O-N 3.15Å | ||
| 1019 | F | 65.5 | Low | 70.4 | Confident | 10 Ų | 10 | 49.8 Ų | 49.8 | 4% | 0.044 | 25% | 0.247 | C | C | . | . | G | 310 helix | trans | -62.6 | -30.4 | -176.9 | -174.6 | -133 | 0 | 0 | 0 | 113.5 | F1017 R1021 L1022 C1023 L1032 L1050 V1055 L1063 | F1017-F1019 HydrophobicContact CE1-CB 3.89Å; F1017-F1019 HydrophobicContact CE1-CD2 4.28Å; F1019-R1021 PolarHBondContact O-N 3.43Å; F1019-L1022 HydrophobicContact CD2-CB 4.26Å; F1019-L1022 HydrophobicContact CD2-CD1 3.99Å; F1019-L1022 HydrophobicContact CD2-CG 4.23Å; F1019-L1022 HydrophobicContact CE2-CB 4.37Å; F1019-L1022 HydrophobicContact CE2-CD1 4.11Å; F1019-L1022 WeakPolarHBondContact O-CB 3.41Å; F1019-L1022 PolarHBondContact O-N 2.92Å; F1019-C1023 PolarHBondContact O-N 3.32Å; F1019-L1032 HydrophobicContact CD2-CD2 4.39Å; F1019-L1032 HydrophobicContact CE1-CD2 4.47Å; F1019-L1032 HydrophobicContact CE2-CD1 4.37Å; F1019-L1032 HydrophobicContact CE2-CD2 3.47Å; F1019-L1032 VanDerWaalsContact CE2-CD2 3.47Å; F1019-L1032 HydrophobicContact CZ-CD1 3.92Å; F1019-L1032 HydrophobicContact CZ-CD2 3.53Å; F1019-L1032 HydrophobicContact CZ-CG 4.39Å; F1019-L1050 HydrophobicContact CD2-CD2 4.36Å; F1019-L1050 HydrophobicContact CE2-CD2 3.52Å; F1019-L1050 HydrophobicContact CZ-CB 4.35Å; F1019-L1050 HydrophobicContact CZ-CD2 3.7Å; F1019-V1055 HydrophobicContact CD1-CG2 3.53Å; F1019-V1055 HydrophobicContact CE1-CG2 3.48Å; F1019-V1055 VanDerWaalsContact CE1-CG2 3.48Å; F1019-L1063 HydrophobicContact CB-CD1 3.95Å; F1019-L1063 HydrophobicContact CB-CG 3.9Å; F1019-L1063 HydrophobicContact CD1-CD1 4.15Å; F1019-L1063 HydrophobicContact CD1-CD2 3.82Å; F1019-L1063 HydrophobicContact CD1-CG 3.74Å; F1019-L1063 HydrophobicContact CD2-CD1 3.6Å; F1019-L1063 HydrophobicContact CD2-CG 4.14Å; F1019-L1063 HydrophobicContact CE1-CD2 3.87Å; F1019-L1063 HydrophobicContact CE1-CG 4.27Å; F1019-L1063 HydrophobicContact CE2-CD1 4.09Å; F1019-L1063 HydrophobicContact CG-CD1 3.64Å; F1019-L1063 HydrophobicContact CG-CD2 4.19Å; F1019-L1063 HydrophobicContact CG-CG 3.67Å; F1019-L1063 HydrophobicContact CZ-CD2 4.28Å |
| 1020 | V | 58.2 | Low | 69.1 | Low | 87 Ų | 87 | 52 Ų | 52 | 53% | 0.527 | 26% | 0.259 | S | S | . | . | G | 310 helix | trans | -59.7 | -20.8 | 177.7 | -168.1 | 0 | 0 | 0 | 0 | 111.7 | N1018 C1023 V1055 | N1018-V1020 VanDerWaalsContact C-N 3.25Å; N1018-V1020 PolarHBondContact O-N 3.17Å; N1018-V1020 VanDerWaalsContact OD1-CB 3.29Å; N1018-V1020 WeakPolarHBondContact OD1-CB 3.3Å; N1018-V1020 WeakPolarHBondContact OD1-CG2 3.33Å; N1018-V1020 PolarHBondContact OD1-N 3.39Å; V1020-C1023 PolarHBondContact O-N 2.79Å; V1020-C1023 VanDerWaalsContact O-O 3.06Å; V1020-V1055 HydrophobicContact CG1-CG1 4.42Å; V1020-V1055 HydrophobicContact CG2-CG1 4.05Å |
| 1021 | R | 61.2 | Low | 68.2 | Low | 83 Ų | 83 | 54.4 Ų | 54.4 | 31% | 0.313 | 27% | 0.268 | S | S | . | . | G | 310 helix | trans | -80.5 | -16.5 | 175 | -61.9 | -172.2 | 177.4 | -173.2 | 0.4 | 114.2 | T882 F883 N1018 F1019 | T882-R1021 PolarHBondContact O-NH1 3.05Å; F883-R1021 VanDerWaalsContact CD1-NH1 3.26Å; N1018-R1021 HydrophobicContact CB-CG 4.37Å; N1018-R1021 PolarHBondContact O-N 3.14Å; N1018-R1021 VanDerWaalsContact O-N 3.15Å; F1019-R1021 PolarHBondContact O-N 3.43Å |
| 1022 | L | 67.9 | Low | 67.4 | Low | 19 Ų | 19 | 56.2 Ų | 56.2 | 10% | 0.099 | 28% | 0.278 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -79.2 | -35.2 | 165.2 | -54.6 | -164.4 | 0 | 0 | 0 | 110.2 | F1017 F1019 K1024 L1032 N1033 P1035 W1038 | F1017-L1022 HydrophobicContact CZ-CD1 4.03Å; F1017-L1022 HydrophobicContact CZ-CG 4.31Å; F1019-L1022 HydrophobicContact CD2-CB 4.26Å; F1019-L1022 HydrophobicContact CD2-CD1 3.99Å; F1019-L1022 HydrophobicContact CD2-CG 4.23Å; F1019-L1022 HydrophobicContact CE2-CB 4.37Å; F1019-L1022 HydrophobicContact CE2-CD1 4.11Å; F1019-L1022 WeakPolarHBondContact O-CB 3.41Å; F1019-L1022 PolarHBondContact O-N 2.92Å; L1022-K1024 PolarHBondContact O-N 3.32Å; L1022-K1024 VanDerWaalsContact O-N 3.15Å; L1022-L1032 HydrophobicContact CB-CD2 3.74Å; L1022-N1033 PolarHBondContact O-N 3.13Å; L1022-P1035 HydrophobicContact CD2-CG 4.17Å; L1022-W1038 HydrophobicContact CD1-CE3 4.07Å; L1022-W1038 HydrophobicContact CD1-CH2 3.62Å; L1022-W1038 HydrophobicContact CD1-CZ2 4.08Å; L1022-W1038 HydrophobicContact CD1-CZ3 3.6Å |
| 1023 | C | 66.8 | Low | 66.8 | Low | 25 Ų | 25 | 59.9 Ų | 59.9 | 17% | 0.169 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.1 | 108.5 | 175.8 | -57.7 | 0 | 0 | 0 | 0 | 111.4 | F1019 V1020 Y1031 | F1019-C1023 PolarHBondContact O-N 3.32Å; V1020-C1023 PolarHBondContact O-N 2.79Å; V1020-C1023 VanDerWaalsContact O-O 3.06Å; C1023-Y1031 WeakPolarHBondContact CA-O 3.36Å |
| 1024 | K | 66.1 | Low | 66.8 | Low | 100 Ų | 100 | 59.1 Ų | 59.1 | 44% | 0.435 | 29% | 0.294 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.9 | 141.8 | 172.3 | -70.9 | -73.1 | -175 | 171.5 | 0 | 109.6 | L1022 N1030 Y1031 N1033 | L1022-K1024 PolarHBondContact O-N 3.32Å; L1022-K1024 VanDerWaalsContact O-N 3.15Å; K1024-N1030 CarbonylContact O-C 3.55Å; K1024-N1030 VanDerWaalsContact O-CA 3.24Å; K1024-N1030 WeakPolarHBondContact O-CA 3.36Å; K1024-Y1031 HydrophobicContact CB-CD1 3.94Å; K1024-Y1031 HydrophobicContact CB-CD2 3.94Å; K1024-Y1031 HydrophobicContact CB-CE1 3.55Å; K1024-Y1031 HydrophobicContact CB-CE2 3.53Å; K1024-Y1031 HydrophobicContact CB-CG 4.13Å; K1024-Y1031 HydrophobicContact CG-CD2 4.42Å; K1024-Y1031 HydrophobicContact CG-CE1 4.45Å; K1024-Y1031 HydrophobicContact CG-CE2 3.71Å; K1024-Y1031 PolarHBondContact N-O 2.95Å; K1024-Y1031 PolarHBondContact O-N 3.21Å; K1024-N1033 HydrophobicContact CG-CB 3.96Å |
| 1025 | K | 57.1 | Low | 66.7 | Low | 170 Ų | 170 | 61.3 Ų | 61.3 | 74% | 0.739 | 31% | 0.309 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -96.8 | 111.6 | 168.7 | -56.3 | -165.9 | 176.6 | 179.3 | 0 | 108.7 | N1030 | K1025-N1030 WeakPolarHBondContact CG-OD1 3.17Å |
| 1026 | A | 62.6 | Low | 67.1 | Low | 28 Ų | 28 | 66 Ų | 66 | 23% | 0.231 | 34% | 0.338 | C | S | . | . | trans | -91.5 | 176.9 | 165.3 | 0 | 0 | 0 | 0 | 0 | 110.3 | W1028 G1029 Y1031 | A1026-W1028 VanDerWaalsContact C-N 3.26Å; A1026-W1028 HydrophobicContact CB-CE3 4.11Å; A1026-G1029 CarbonylContact C-O 3.55Å; A1026-G1029 WeakPolarHBondContact CA-O 3.47Å; A1026-G1029 WeakPolarHBondContact CB-O 3.44Å; A1026-G1029 PolarHBondContact N-O 3.41Å; A1026-Y1031 HydrophobicContact CB-CD1 4.02Å; A1026-Y1031 HydrophobicContact CB-CE1 3.94Å | ||
| 1027 | K | 47.2 | Very low | 67.9 | Low | 187 Ų | 187 | 68.4 Ų | 68.4 | 81% | 0.813 | 35% | 0.347 | S | S | * | . | S | Bend | trans | -75.8 | -14.6 | 171.2 | -70 | 177.1 | 178.3 | 171.8 | 0 | 113.3 | ||
| 1028 | W | 55.3 | Low | 68.8 | Low | 121 Ų | 121 | 67.8 Ų | 67.8 | 46% | 0.458 | 34% | 0.343 | S | S | . | . | S | Bend | trans | -110.1 | -8.6 | -174.9 | -53.5 | -82.4 | 0 | 0 | 0 | 113.6 | L155 A1026 | L155-W1028 HydrophobicContact CB-CH2 4.04Å; L155-W1028 HydrophobicContact CB-CZ2 4.07Å; L155-W1028 HydrophobicContact CD1-CZ2 3.9Å; L155-W1028 HydrophobicContact CD2-CH2 3.54Å; L155-W1028 HydrophobicContact CD2-CZ2 3.65Å; L155-W1028 HydrophobicContact CG-CH2 4.18Å; L155-W1028 HydrophobicContact CG-CZ2 4.04Å; A1026-W1028 VanDerWaalsContact C-N 3.26Å; A1026-W1028 HydrophobicContact CB-CE3 4.11Å |
| 1029 | G | 59.5 | Low | 70 | Confident | 33 Ų | 33 | 65.7 Ų | 65.7 | 34% | 0.34 | 33% | 0.332 | S | S | . | . | trans | 169.5 | 175.2 | 179.4 | 0 | 0 | 0 | 0 | 0 | 111.6 | A1026 | A1026-G1029 CarbonylContact C-O 3.55Å; A1026-G1029 WeakPolarHBondContact CA-O 3.47Å; A1026-G1029 WeakPolarHBondContact CB-O 3.44Å; A1026-G1029 PolarHBondContact N-O 3.41Å | ||
| 1030 | N | 69.1 | Low | 71.2 | Confident | 48 Ų | 48 | 65.4 Ų | 65.4 | 26% | 0.257 | 33% | 0.331 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94 | 136.9 | 161.2 | -67.9 | -10.1 | 0 | 0 | 0 | 107.7 | K1024 K1025 I1052 | K1024-N1030 CarbonylContact O-C 3.55Å; K1024-N1030 VanDerWaalsContact O-CA 3.24Å; K1024-N1030 WeakPolarHBondContact O-CA 3.36Å; K1025-N1030 WeakPolarHBondContact CG-OD1 3.17Å; N1030-I1052 HydrophobicContact CB-CG2 3.45Å; N1030-I1052 VanDerWaalsContact CB-CG2 3.45Å |
| 1031 | Y | 76.6 | Confident | 72.9 | Confident | 53 Ų | 53 | 61.9 Ų | 61.9 | 21% | 0.208 | 31% | 0.308 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.1 | 166.9 | 178.1 | 68.1 | -96.7 | 0 | 0 | 0 | 111.5 | E158 D160 C1023 K1024 A1026 N1033 | E158-Y1031 WeakPolarHBondContact OE1-CE1 3.35Å; D160-Y1031 WeakPolarHBondContact OD2-CB 3.4Å; C1023-Y1031 WeakPolarHBondContact CA-O 3.36Å; K1024-Y1031 HydrophobicContact CB-CD1 3.94Å; K1024-Y1031 HydrophobicContact CB-CD2 3.94Å; K1024-Y1031 HydrophobicContact CB-CE1 3.55Å; K1024-Y1031 HydrophobicContact CB-CE2 3.53Å; K1024-Y1031 HydrophobicContact CB-CG 4.13Å; K1024-Y1031 HydrophobicContact CG-CD2 4.42Å; K1024-Y1031 HydrophobicContact CG-CE1 4.45Å; K1024-Y1031 HydrophobicContact CG-CE2 3.71Å; K1024-Y1031 PolarHBondContact N-O 2.95Å; K1024-Y1031 PolarHBondContact O-N 3.21Å; A1026-Y1031 HydrophobicContact CB-CD1 4.02Å; A1026-Y1031 HydrophobicContact CB-CE1 3.94Å; Y1031-N1033 HydrophobicContact CD2-CB 4.48Å; Y1031-N1033 HydrophobicContact CE2-CB 4.01Å |
| 1032 | L | 79 | Confident | 74.4 | Confident | 37 Ų | 37 | 58.4 Ų | 58.4 | 19% | 0.194 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.3 | 108.4 | 174.9 | -81.2 | 166.5 | 0 | 0 | 0 | 110.4 | F1019 L1022 V1034 L1050 I1052 | F1019-L1032 HydrophobicContact CD2-CD2 4.39Å; F1019-L1032 HydrophobicContact CE1-CD2 4.47Å; F1019-L1032 HydrophobicContact CE2-CD1 4.37Å; F1019-L1032 HydrophobicContact CE2-CD2 3.47Å; F1019-L1032 VanDerWaalsContact CE2-CD2 3.47Å; F1019-L1032 HydrophobicContact CZ-CD1 3.92Å; F1019-L1032 HydrophobicContact CZ-CD2 3.53Å; F1019-L1032 HydrophobicContact CZ-CG 4.39Å; L1022-L1032 HydrophobicContact CB-CD2 3.74Å; L1032-V1034 VanDerWaalsContact C-N 3.3Å; L1032-V1034 HydrophobicContact CB-CG2 4.27Å; L1032-V1034 PolarHBondContact O-N 3.47Å; L1032-L1050 HydrophobicContact CD1-CB 4.41Å; L1032-I1052 HydrophobicContact CD1-CD1 4.36Å; L1032-I1052 HydrophobicContact CD1-CG1 3.88Å; L1032-I1052 HydrophobicContact CG-CD1 4.26Å; L1032-I1052 HydrophobicContact CG-CG1 3.77Å |
| 1033 | N | 78.4 | Confident | 75.7 | Confident | 81 Ų | 81 | 57.6 Ų | 57.6 | 43% | 0.433 | 29% | 0.292 | S | S | . | . | trans | -73.8 | 86.5 | 170.9 | -167.5 | -55.3 | 0 | 0 | 0 | 109.1 | L1022 K1024 Y1031 P1035 | L1022-N1033 PolarHBondContact O-N 3.13Å; K1024-N1033 HydrophobicContact CG-CB 3.96Å; Y1031-N1033 HydrophobicContact CD2-CB 4.48Å; Y1031-N1033 HydrophobicContact CE2-CB 4.01Å; N1033-P1035 WeakPolarHBondContact O-CD 3.47Å | ||
| 1034 | V | 81.1 | Confident | 77 | Confident | 49 Ų | 49 | 56.5 Ų | 56.5 | 30% | 0.297 | 28% | 0.284 | S | S | . | . | P | Polyproline II helix | trans | -77.1 | 119.1 | -179.8 | 172 | 0 | 0 | 0 | 0 | 109.9 | L1032 W1038 L1039 | L1032-V1034 VanDerWaalsContact C-N 3.3Å; L1032-V1034 HydrophobicContact CB-CG2 4.27Å; L1032-V1034 PolarHBondContact O-N 3.47Å; V1034-W1038 HydrophobicContact CG1-CE3 4.43Å; V1034-L1039 HydrophobicContact CG1-CD1 3.82Å; V1034-L1039 HydrophobicContact CG1-CD2 4.18Å; V1034-L1039 HydrophobicContact CG1-CG 3.62Å |
| 1035 | P | 79.2 | Confident | 78.2 | Confident | 50 Ų | 50 | 53.9 Ų | 53.9 | 33% | 0.325 | 27% | 0.274 | S | S | . | . | P | Polyproline II helix | trans | -67 | 142.8 | 177.1 | -17.7 | 31 | 0 | 0 | 0 | 111.2 | L1022 N1033 F1037 W1038 | L1022-P1035 HydrophobicContact CD2-CG 4.17Å; N1033-P1035 WeakPolarHBondContact O-CD 3.47Å; P1035-F1037 PolarHBondContact O-N 3.13Å; P1035-W1038 HydrophobicContact CB-CB 4.06Å; P1035-W1038 HydrophobicContact CG-CB 4.27Å; P1035-W1038 HydrophobicContact CG-CG 4.41Å; P1035-W1038 WeakPolarHBondContact O-CB 3.25Å; P1035-W1038 PolarHBondContact O-N 2.92Å |
| 1036 | P | 77.6 | Confident | 79.8 | Confident | 107 Ų | 107 | 45.8 Ų | 45.8 | 70% | 0.695 | 24% | 0.239 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -51 | 132.7 | 179.4 | -30 | 36 | 0 | 0 | 0 | 113.1 | W1038 | P1036-W1038 PolarHBondContact O-N 3.26Å; P1036-W1038 VanDerWaalsContact O-N 3.1Å |
| 1037 | F | 83.7 | Confident | 81.1 | Confident | 71 Ų | 71 | 44.9 Ų | 44.9 | 31% | 0.311 | 23% | 0.23 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 63 | -0.9 | -176.8 | -41.5 | -78 | 0 | 0 | 0 | 116.5 | P1035 L1039 C1040 Y1086 | P1035-F1037 PolarHBondContact O-N 3.13Å; F1037-L1039 PolarHBondContact O-N 3.24Å; F1037-C1040 PolarHBondContact O-N 2.99Å; F1037-C1040 PolarHBondContact O-SG 2.98Å; F1037-Y1086 HydrophobicContact CB-CD1 3.48Å; F1037-Y1086 VanDerWaalsContact CB-CD1 3.48Å; F1037-Y1086 HydrophobicContact CB-CD2 4.3Å; F1037-Y1086 HydrophobicContact CB-CE1 3.41Å; F1037-Y1086 VanDerWaalsContact CB-CE1 3.41Å; F1037-Y1086 HydrophobicContact CB-CE2 4.27Å; F1037-Y1086 HydrophobicContact CB-CG 3.93Å; F1037-Y1086 HydrophobicContact CD1-CD1 4.09Å; F1037-Y1086 AromaticContact CD1-CD2 3.59Å; F1037-Y1086 HydrophobicContact CD1-CD2 3.59Å; F1037-Y1086 HydrophobicContact CD1-CE1 4.49Å; F1037-Y1086 HydrophobicContact CD1-CE2 4.06Å; F1037-Y1086 AromaticContact CD1-CG 3.6Å; F1037-Y1086 HydrophobicContact CD1-CG 3.6Å; F1037-Y1086 HydrophobicContact CD2-CD2 4.01Å; F1037-Y1086 HydrophobicContact CD2-CE1 4.19Å; F1037-Y1086 AromaticContact CD2-CE2 3.59Å; F1037-Y1086 HydrophobicContact CD2-CE2 3.59Å; F1037-Y1086 HydrophobicContact CD2-CG 4.48Å; F1037-Y1086 AromaticContact CD2-CZ 3.67Å; F1037-Y1086 AromaticContact CE1-CD2 3.84Å; F1037-Y1086 HydrophobicContact CE1-CD2 3.84Å; F1037-Y1086 HydrophobicContact CE1-CE2 4.33Å; F1037-Y1086 HydrophobicContact CE1-CG 4.25Å; F1037-Y1086 HydrophobicContact CE2-CD2 4.25Å; F1037-Y1086 AromaticContact CE2-CE2 3.89Å; F1037-Y1086 HydrophobicContact CE2-CE2 3.89Å; F1037-Y1086 AromaticContact CG-CD1 3.81Å; F1037-Y1086 HydrophobicContact CG-CD1 3.81Å; F1037-Y1086 AromaticContact CG-CD2 3.68Å; F1037-Y1086 HydrophobicContact CG-CD2 3.68Å; F1037-Y1086 AromaticContact CG-CE1 3.79Å; F1037-Y1086 HydrophobicContact CG-CE1 3.79Å; F1037-Y1086 AromaticContact CG-CE2 3.69Å; F1037-Y1086 HydrophobicContact CG-CE2 3.69Å; F1037-Y1086 AromaticContact CG-CG 3.74Å; F1037-Y1086 HydrophobicContact CG-CG 3.74Å; F1037-Y1086 AromaticContact CG-CZ 3.72Å; F1037-Y1086 HydrophobicContact CZ-CD2 4.17Å; F1037-Y1086 HydrophobicContact CZ-CE2 4.25Å |
| 1038 | W | 87.3 | Confident | 83 | Confident | 15 Ų | 15 | 41.3 Ų | 41.3 | 6% | 0.057 | 22% | 0.216 | C | C | . | . | G | 310 helix | trans | -59.7 | -45.1 | -177.9 | -179.9 | 71.6 | 0 | 0 | 0 | 112.6 | F1017 L1022 V1034 P1035 P1036 C1040 Y1041 I1042 L1050 | F1017-W1038 HydrophobicContact CE1-CZ2 4.16Å; F1017-W1038 AromaticContact CE2-CE2 3.98Å; F1017-W1038 AromaticContact CE2-CZ2 3.63Å; F1017-W1038 HydrophobicContact CE2-CZ2 3.63Å; F1017-W1038 AromaticContact CE2-NE1 3.95Å; F1017-W1038 AromaticContact CZ-CH2 3.92Å; F1017-W1038 HydrophobicContact CZ-CH2 3.92Å; F1017-W1038 AromaticContact CZ-CZ2 3.29Å; F1017-W1038 HydrophobicContact CZ-CZ2 3.29Å; L1022-W1038 HydrophobicContact CD1-CE3 4.07Å; L1022-W1038 HydrophobicContact CD1-CH2 3.62Å; L1022-W1038 HydrophobicContact CD1-CZ2 4.08Å; L1022-W1038 HydrophobicContact CD1-CZ3 3.6Å; V1034-W1038 HydrophobicContact CG1-CE3 4.43Å; P1035-W1038 HydrophobicContact CB-CB 4.06Å; P1035-W1038 HydrophobicContact CG-CB 4.27Å; P1035-W1038 HydrophobicContact CG-CG 4.41Å; P1035-W1038 WeakPolarHBondContact O-CB 3.25Å; P1035-W1038 PolarHBondContact O-N 2.92Å; P1036-W1038 PolarHBondContact O-N 3.26Å; P1036-W1038 VanDerWaalsContact O-N 3.1Å; W1038-C1040 PolarHBondContact O-N 3.46Å; W1038-Y1041 WeakPolarHBondContact O-CB 3.39Å; W1038-Y1041 PolarHBondContact O-N 3.49Å; W1038-I1042 HydrophobicContact CD2-CD1 4.12Å; W1038-I1042 HydrophobicContact CD2-CG1 3.91Å; W1038-I1042 HydrophobicContact CE3-CG1 3.97Å; W1038-I1042 HydrophobicContact CH2-CD1 3.92Å; W1038-I1042 HydrophobicContact CH2-CG1 3.88Å; W1038-I1042 HydrophobicContact CZ2-CD1 3.39Å; W1038-I1042 HydrophobicContact CZ2-CG1 3.81Å; W1038-I1042 HydrophobicContact CZ3-CD1 4.47Å; W1038-I1042 HydrophobicContact CZ3-CG1 3.96Å; W1038-L1050 HydrophobicContact CH2-CD2 4.06Å; W1038-L1050 HydrophobicContact CZ3-CD1 4.23Å; W1038-L1050 HydrophobicContact CZ3-CD2 4.24Å |
| 1039 | L | 90.1 | Very high | 84.3 | Confident | 6 Ų | 6 | 36.3 Ų | 36.3 | 3% | 0.031 | 20% | 0.2 | C | C | . | . | G | 310 helix | trans | -54.9 | -29.5 | -177.6 | -67.4 | 172.7 | 0 | 0 | 0 | 114.5 | V1034 F1037 Y1041 I1042 I1047 L1050 A1093 I1096 T1097 | V1034-L1039 HydrophobicContact CG1-CD1 3.82Å; V1034-L1039 HydrophobicContact CG1-CD2 4.18Å; V1034-L1039 HydrophobicContact CG1-CG 3.62Å; F1037-L1039 PolarHBondContact O-N 3.24Å; L1039-Y1041 PolarHBondContact O-N 3.35Å; L1039-I1042 WeakPolarHBondContact O-CB 3.23Å; L1039-I1042 PolarHBondContact O-N 2.85Å; L1039-I1047 HydrophobicContact CD2-CD1 3.97Å; L1039-L1050 HydrophobicContact CD2-CD1 3.61Å; L1039-A1093 HydrophobicContact CD1-CB 3.85Å; L1039-A1093 VanDerWaalsContact CD1-O 3.32Å; L1039-A1093 WeakPolarHBondContact CD1-O 3.48Å; L1039-I1096 HydrophobicContact CB-CG2 3.74Å; L1039-I1096 HydrophobicContact CD1-CB 4.43Å; L1039-I1096 HydrophobicContact CD1-CG2 4.46Å; L1039-T1097 WeakPolarHBondContact CD1-OG1 3.48Å |
| 1040 | C | 91.9 | Very high | 85.3 | Confident | 3 Ų | 3 | 36 Ų | 36 | 2% | 0.02 | 19% | 0.191 | C | C | . | . | G | 310 helix | trans | -72.9 | -12.1 | -179 | 81.2 | 0 | 0 | 0 | 0 | 113.6 | F1037 W1038 T1076 P1087 F1088 | F1037-C1040 PolarHBondContact O-N 2.99Å; F1037-C1040 PolarHBondContact O-SG 2.98Å; W1038-C1040 PolarHBondContact O-N 3.46Å; C1040-T1076 VanDerWaalsContact O-CG2 3.29Å; C1040-T1076 WeakPolarHBondContact O-CG2 3.48Å; C1040-T1076 PolarHBondContact O-OG1 3.28Å; C1040-P1087 HydrophobicContact CB-CG 4Å; C1040-F1088 HydrophobicContact CB-CD2 4.21Å |
| 1041 | Y | 93.5 | Very high | 85.4 | Confident | 13 Ų | 13 | 38.3 Ų | 38.3 | 5% | 0.051 | 20% | 0.203 | C | C | . | . | G | 310 helix | trans | -89 | -11.3 | 169.2 | -73.2 | -92.4 | 0 | 0 | 0 | 113.1 | L996 K997 T998 W1038 L1039 A1073 T1076 V1077 E1080 Y1086 | L996-Y1041 WeakPolarHBondContact O-CD1 3.39Å; K997-Y1041 VanDerWaalsContact CA-CE1 3.48Å; K997-Y1041 HydrophobicContact CB-CD1 3.9Å; K997-Y1041 HydrophobicContact CB-CD2 4.36Å; K997-Y1041 HydrophobicContact CB-CE1 3.63Å; K997-Y1041 HydrophobicContact CB-CE2 4.14Å; K997-Y1041 HydrophobicContact CB-CG 4.24Å; T998-Y1041 PolarHBondContact N-OH 2.93Å; T998-Y1041 PolarHBondContact OG1-OH 3.46Å; W1038-Y1041 WeakPolarHBondContact O-CB 3.39Å; W1038-Y1041 PolarHBondContact O-N 3.49Å; L1039-Y1041 PolarHBondContact O-N 3.35Å; Y1041-A1073 HydrophobicContact CD1-CB 4.27Å; Y1041-A1073 WeakPolarHBondContact O-CB 3.48Å; Y1041-T1076 HydrophobicContact CD1-CG2 3.74Å; Y1041-T1076 HydrophobicContact CD2-CG2 3.86Å; Y1041-T1076 HydrophobicContact CE1-CG2 3.74Å; Y1041-T1076 HydrophobicContact CE2-CG2 3.86Å; Y1041-T1076 HydrophobicContact CG-CG2 3.82Å; Y1041-V1077 HydrophobicContact CE1-CG2 3.75Å; Y1041-E1080 VanDerWaalsContact OH-CD 3.26Å; Y1041-E1080 PolarHBondContact OH-OE1 3.33Å; Y1041-E1080 PolarHBondContact OH-OE2 2.92Å; Y1041-Y1086 HydrophobicContact CE2-CD1 4.48Å; Y1041-Y1086 HydrophobicContact CE2-CE1 4.22Å |
| 1042 | I | 92.6 | Very high | 84.8 | Confident | 11 Ų | 11 | 38.4 Ų | 38.4 | 6% | 0.056 | 21% | 0.207 | C | C | . | . | S | Bend | trans | -94.1 | 126.1 | -169.3 | -57.3 | -53.2 | 0 | 0 | 0 | 110.2 | W1038 L1039 I1046 I1047 F1072 V1100 | W1038-I1042 HydrophobicContact CD2-CD1 4.12Å; W1038-I1042 HydrophobicContact CD2-CG1 3.91Å; W1038-I1042 HydrophobicContact CE3-CG1 3.97Å; W1038-I1042 HydrophobicContact CH2-CD1 3.92Å; W1038-I1042 HydrophobicContact CH2-CG1 3.88Å; W1038-I1042 HydrophobicContact CZ2-CD1 3.39Å; W1038-I1042 HydrophobicContact CZ2-CG1 3.81Å; W1038-I1042 HydrophobicContact CZ3-CD1 4.47Å; W1038-I1042 HydrophobicContact CZ3-CG1 3.96Å; L1039-I1042 WeakPolarHBondContact O-CB 3.23Å; L1039-I1042 PolarHBondContact O-N 2.85Å; I1042-I1046 HydrophobicContact CG2-CB 3.55Å; I1042-I1046 HydrophobicContact CG2-CG2 3.55Å; I1042-I1047 HydrophobicContact CB-CD1 4.04Å; I1042-I1047 HydrophobicContact CB-CG1 4.49Å; I1042-I1047 HydrophobicContact CG2-CD1 3.85Å; I1042-I1047 HydrophobicContact CG2-CG1 4.06Å; I1042-F1072 WeakPolarHBondContact O-CE1 3.49Å; I1042-V1100 WeakPolarHBondContact O-CG1 3.28Å |
| 1043 | A | 94.6 | Very high | 83.8 | Confident | 1 Ų | 1 | 38.4 Ų | 38.4 | 1% | 0.008 | 22% | 0.215 | C | C | . | . | trans | -72.9 | 153.2 | -175.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | E1045 I1046 I1047 F1072 | A1043-E1045 VanDerWaalsContact C-N 3.29Å; A1043-E1045 VanDerWaalsContact CB-CD 3.49Å; A1043-E1045 WeakPolarHBondContact CB-OE1 3.4Å; A1043-E1045 VanDerWaalsContact CB-OE2 3.23Å; A1043-E1045 WeakPolarHBondContact CB-OE2 3.43Å; A1043-E1045 PolarHBondContact O-N 2.99Å; A1043-I1046 HydrophobicContact CB-CG1 4.19Å; A1043-I1046 CarbonylContact O-C 3.36Å; A1043-I1046 WeakPolarHBondContact O-CA 3.4Å; A1043-I1046 WeakPolarHBondContact O-CB 3.3Å; A1043-I1046 PolarHBondContact O-N 3.44Å; A1043-I1047 PolarHBondContact O-N 3.43Å; A1043-F1072 HydrophobicContact CB-CB 3.66Å; A1043-F1072 HydrophobicContact CB-CD1 3.94Å; A1043-F1072 HydrophobicContact CB-CD2 4.07Å; A1043-F1072 HydrophobicContact CB-CG 3.62Å | ||
| 1044 | P | 93.6 | Very high | 82.5 | Confident | 2 Ų | 2 | 39 Ų | 39 | 1% | 0.013 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -55.5 | -37.7 | -174.9 | -25.2 | 32.5 | 0 | 0 | 0 | 114.7 | I1046 I1047 H1048 F1072 V1100 Y1126 | P1044-I1046 PolarHBondContact O-N 3.26Å; P1044-I1047 WeakPolarHBondContact O-CB 3.34Å; P1044-I1047 PolarHBondContact O-N 2.92Å; P1044-H1048 PolarHBondContact O-N 3.33Å; P1044-H1048 PolarHBondContact O-ND1 3.02Å; P1044-F1072 HydrophobicContact CG-CE2 4.24Å; P1044-V1100 WeakPolarHBondContact CB-O 3.21Å; P1044-V1100 HydrophobicContact CG-CG1 4.19Å; P1044-V1100 WeakPolarHBondContact CG-O 3.04Å; P1044-Y1126 HydrophobicContact CB-CD2 3.77Å; P1044-Y1126 HydrophobicContact CB-CE2 3.56Å; P1044-Y1126 HydrophobicContact CG-CD2 3.82Å; P1044-Y1126 HydrophobicContact CG-CE2 4.13Å |
| 1045 | E | 92.6 | Very high | 81 | Confident | 45 Ų | 45 | 38 Ų | 38 | 21% | 0.21 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -66.4 | -25.5 | 175.8 | 73.4 | -77.7 | -168.6 | 0 | 0 | 113.3 | A1043 P1128 R1131 | A1043-E1045 VanDerWaalsContact C-N 3.29Å; A1043-E1045 VanDerWaalsContact CB-CD 3.49Å; A1043-E1045 WeakPolarHBondContact CB-OE1 3.4Å; A1043-E1045 VanDerWaalsContact CB-OE2 3.23Å; A1043-E1045 WeakPolarHBondContact CB-OE2 3.43Å; A1043-E1045 PolarHBondContact O-N 2.99Å; E1045-P1128 HydrophobicContact CB-CG 4.19Å; E1045-P1128 HydrophobicContact CG-CG 3.86Å; E1045-R1131 IonicContact OE1-CZ 2.69Å; E1045-R1131 IonicContact OE1-NH1 3.28Å; E1045-R1131 PolarHBondContact OE1-NH1 2.93Å; E1045-R1131 IonicContact OE1-NH2 3.19Å; E1045-R1131 IonicContact OE2-CZ 2.7Å; E1045-R1131 IonicContact OE2-NH1 3.89Å; E1045-R1131 PolarHBondContact OE2-NH1 3.36Å; E1045-R1131 IonicContact OE2-NH2 2.74Å; E1045-R1131 PolarHBondContact OE2-NH2 2.83Å |
| 1046 | I | 90.7 | Very high | 79.5 | Confident | 1 Ų | 1 | 41.2 Ų | 41.2 | 1% | 0.005 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -83.7 | -40.4 | 173.6 | -46.8 | -59.8 | 0 | 0 | 0 | 109.8 | I1042 A1043 P1044 H1048 A1049 L1050 L1063 P1064 L1065 | I1042-I1046 HydrophobicContact CG2-CB 3.55Å; I1042-I1046 HydrophobicContact CG2-CG2 3.55Å; A1043-I1046 HydrophobicContact CB-CG1 4.19Å; A1043-I1046 CarbonylContact O-C 3.36Å; A1043-I1046 WeakPolarHBondContact O-CA 3.4Å; A1043-I1046 WeakPolarHBondContact O-CB 3.3Å; A1043-I1046 PolarHBondContact O-N 3.44Å; P1044-I1046 PolarHBondContact O-N 3.26Å; I1046-H1048 VanDerWaalsContact C-N 3.32Å; I1046-H1048 PolarHBondContact O-N 3.32Å; I1046-A1049 CarbonylContact O-C 3.58Å; I1046-A1049 WeakPolarHBondContact O-CA 3.3Å; I1046-A1049 WeakPolarHBondContact O-CB 3.4Å; I1046-A1049 PolarHBondContact O-N 2.92Å; I1046-L1050 HydrophobicContact CG2-CD2 4.49Å; I1046-L1050 WeakPolarHBondContact O-CG 3.5Å; I1046-L1050 PolarHBondContact O-N 2.89Å; I1046-L1050 VanDerWaalsContact O-N 3.16Å; I1046-L1063 HydrophobicContact CG2-CB 4.42Å; I1046-L1063 HydrophobicContact CG2-CD1 3.89Å; I1046-L1063 HydrophobicContact CG2-CD2 4.44Å; I1046-L1063 HydrophobicContact CG2-CG 4.5Å; I1046-P1064 VanDerWaalsContact CD1-C 3.46Å; I1046-P1064 HydrophobicContact CD1-CG 4.08Å; I1046-P1064 WeakPolarHBondContact CD1-O 3.43Å; I1046-L1065 HydrophobicContact CD1-CD2 4.05Å; I1046-L1065 HydrophobicContact CD1-CG 4.27Å; I1046-L1065 HydrophobicContact CG1-CD2 4.24Å; I1046-L1065 HydrophobicContact CG2-CD2 4.21Å |
| 1047 | I | 89.7 | Confident | 78.1 | Confident | 8 Ų | 8 | 40.2 Ų | 40.2 | 4% | 0.041 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -52.2 | -48.9 | 174 | -69.7 | -66.4 | 0 | 0 | 0 | 110.8 | L1039 I1042 A1043 P1044 A1049 L1050 T1097 V1100 | L1039-I1047 HydrophobicContact CD2-CD1 3.97Å; I1042-I1047 HydrophobicContact CB-CD1 4.04Å; I1042-I1047 HydrophobicContact CB-CG1 4.49Å; I1042-I1047 HydrophobicContact CG2-CD1 3.85Å; I1042-I1047 HydrophobicContact CG2-CG1 4.06Å; A1043-I1047 PolarHBondContact O-N 3.43Å; P1044-I1047 WeakPolarHBondContact O-CB 3.34Å; P1044-I1047 PolarHBondContact O-N 2.92Å; I1047-A1049 PolarHBondContact O-N 3.42Å; I1047-L1050 HydrophobicContact CD1-CD1 3.9Å; I1047-L1050 WeakPolarHBondContact O-CB 3.27Å; I1047-L1050 PolarHBondContact O-N 3.35Å; I1047-T1097 HydrophobicContact CG2-CG2 3.85Å; I1047-T1097 WeakPolarHBondContact CG2-O 3.49Å; I1047-V1100 HydrophobicContact CG1-CB 4.24Å; I1047-V1100 HydrophobicContact CG1-CG1 3.86Å |
| 1048 | H | 87.1 | Confident | 76.1 | Confident | 113 Ų | 113 | 38.7 Ų | 38.7 | 52% | 0.523 | 22% | 0.217 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -65.6 | -19.7 | 177.1 | -61.9 | 127.8 | 0 | 0 | 0 | 114 | P1044 I1046 G1101 | P1044-H1048 PolarHBondContact O-N 3.33Å; P1044-H1048 PolarHBondContact O-ND1 3.02Å; I1046-H1048 VanDerWaalsContact C-N 3.32Å; I1046-H1048 PolarHBondContact O-N 3.32Å; H1048-G1101 PolarHBondContact CE1-O 3.01Å; H1048-G1101 WeakPolarHBondContact NE2-CA 3.42Å; H1048-G1101 PolarHBondContact NE2-O 3.09Å |
| 1049 | A | 83 | Confident | 74 | Confident | 15 Ų | 15 | 45.2 Ų | 45.2 | 12% | 0.124 | 26% | 0.259 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -90.6 | -2.3 | 173.8 | 0 | 0 | 0 | 0 | 0 | 113.6 | I1046 I1047 N1051 L1063 P1064 | I1046-A1049 CarbonylContact O-C 3.58Å; I1046-A1049 WeakPolarHBondContact O-CA 3.3Å; I1046-A1049 WeakPolarHBondContact O-CB 3.4Å; I1046-A1049 PolarHBondContact O-N 2.92Å; I1047-A1049 PolarHBondContact O-N 3.42Å; A1049-N1051 PolarHBondContact O-N 3.18Å; A1049-L1063 HydrophobicContact CB-CD2 3.9Å; A1049-L1063 WeakPolarHBondContact O-CD2 3.46Å; A1049-P1064 HydrophobicContact CB-CG 3.8Å |
| 1050 | L | 80.4 | Confident | 71.6 | Confident | 27 Ų | 27 | 50 Ų | 50 | 14% | 0.141 | 29% | 0.288 | C | S | . | . | trans | -76 | 52.1 | 175.4 | -59.1 | -177.5 | 0 | 0 | 0 | 112.3 | F1019 L1032 W1038 L1039 I1046 I1047 L1063 | F1019-L1050 HydrophobicContact CD2-CD2 4.36Å; F1019-L1050 HydrophobicContact CE2-CD2 3.52Å; F1019-L1050 HydrophobicContact CZ-CB 4.35Å; F1019-L1050 HydrophobicContact CZ-CD2 3.7Å; L1032-L1050 HydrophobicContact CD1-CB 4.41Å; W1038-L1050 HydrophobicContact CH2-CD2 4.06Å; W1038-L1050 HydrophobicContact CZ3-CD1 4.23Å; W1038-L1050 HydrophobicContact CZ3-CD2 4.24Å; L1039-L1050 HydrophobicContact CD2-CD1 3.61Å; I1046-L1050 HydrophobicContact CG2-CD2 4.49Å; I1046-L1050 WeakPolarHBondContact O-CG 3.5Å; I1046-L1050 PolarHBondContact O-N 2.89Å; I1046-L1050 VanDerWaalsContact O-N 3.16Å; I1047-L1050 HydrophobicContact CD1-CD1 3.9Å; I1047-L1050 WeakPolarHBondContact O-CB 3.27Å; I1047-L1050 PolarHBondContact O-N 3.35Å; L1050-L1063 HydrophobicContact CD2-CD1 3.87Å; L1050-L1063 HydrophobicContact CD2-CD2 4.16Å | ||
| 1051 | N | 69.7 | Low | 69.5 | Low | 97 Ų | 97 | 53 Ų | 53 | 52% | 0.519 | 31% | 0.305 | S | S | . | . | trans | -105.3 | 124.6 | 178.4 | -172.6 | -27.8 | 0 | 0 | 0 | 110.9 | A1049 G1053 Y1054 | A1049-N1051 PolarHBondContact O-N 3.18Å; N1051-G1053 PolarHBondContact O-N 2.99Å; N1051-G1053 PolarHBondContact OD1-N 2.94Å; N1051-Y1054 VanDerWaalsContact O-CB 3.23Å; N1051-Y1054 WeakPolarHBondContact O-CB 3.25Å; N1051-Y1054 PolarHBondContact O-N 3.28Å; N1051-Y1054 VanDerWaalsContact O-N 3.08Å | ||
| 1052 | I | 65.5 | Low | 68 | Low | 55 Ų | 55 | 56.3 Ų | 56.3 | 28% | 0.282 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -58 | -35.1 | 178.1 | -70.7 | 150.2 | 0 | 0 | 0 | 112.4 | N1030 L1032 Y1054 V1055 | N1030-I1052 HydrophobicContact CB-CG2 3.45Å; N1030-I1052 VanDerWaalsContact CB-CG2 3.45Å; L1032-I1052 HydrophobicContact CD1-CD1 4.36Å; L1032-I1052 HydrophobicContact CD1-CG1 3.88Å; L1032-I1052 HydrophobicContact CG-CD1 4.26Å; L1032-I1052 HydrophobicContact CG-CG1 3.77Å; I1052-Y1054 VanDerWaalsContact C-N 3.35Å; I1052-V1055 PolarHBondContact O-N 2.8Å |
| 1053 | G | 56.8 | Low | 67.1 | Low | 36 Ų | 36 | 56.1 Ų | 56.1 | 37% | 0.371 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -67.8 | -31.5 | 176.2 | 0 | 0 | 0 | 0 | 0 | 113.5 | N1051 V1055 L1056 A1057 | N1051-G1053 PolarHBondContact O-N 2.99Å; N1051-G1053 PolarHBondContact OD1-N 2.94Å; G1053-V1055 PolarHBondContact O-N 3.19Å; G1053-L1056 PolarHBondContact O-N 3.18Å; G1053-L1056 VanDerWaalsContact O-N 3.14Å; G1053-A1057 WeakPolarHBondContact O-CB 3.49Å; G1053-A1057 PolarHBondContact O-N 2.93Å |
| 1054 | Y | 52.1 | Low | 66.5 | Low | 93 Ų | 93 | 58.9 Ų | 58.9 | 37% | 0.365 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -61.2 | -34.3 | 178.6 | -165.9 | -95.3 | 0 | 0 | 0 | 111.9 | N1051 I1052 T1058 N1061 | N1051-Y1054 VanDerWaalsContact O-CB 3.23Å; N1051-Y1054 WeakPolarHBondContact O-CB 3.25Å; N1051-Y1054 PolarHBondContact O-N 3.28Å; N1051-Y1054 VanDerWaalsContact O-N 3.08Å; I1052-Y1054 VanDerWaalsContact C-N 3.35Å; Y1054-T1058 PolarHBondContact O-N 2.95Å; Y1054-T1058 PolarHBondContact O-OG1 3.48Å; Y1054-N1061 HydrophobicContact CE1-CB 3.69Å; Y1054-N1061 PolarHBondContact OH-ND2 2.87Å; Y1054-N1061 VanDerWaalsContact OH-ND2 3.15Å |
| 1055 | V | 48.6 | Very low | 66.2 | Low | 30 Ų | 30 | 59.8 Ų | 59.8 | 18% | 0.182 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -80.3 | -21.4 | 179.9 | -175 | 0 | 0 | 0 | 0 | 112.8 | F1019 V1020 I1052 G1053 | F1019-V1055 HydrophobicContact CD1-CG2 3.53Å; F1019-V1055 HydrophobicContact CE1-CG2 3.48Å; F1019-V1055 VanDerWaalsContact CE1-CG2 3.48Å; V1020-V1055 HydrophobicContact CG1-CG1 4.42Å; V1020-V1055 HydrophobicContact CG2-CG1 4.05Å; I1052-V1055 PolarHBondContact O-N 2.8Å; G1053-V1055 PolarHBondContact O-N 3.19Å |
| 1056 | L | 47.8 | Very low | 66.2 | Low | 117 Ų | 117 | 60.4 Ų | 60.4 | 61% | 0.613 | 35% | 0.349 | S | S | * | . | H | α-helix | trans | -85.2 | -35.4 | 170.6 | -76.1 | 177.3 | 0 | 0 | 0 | 112.6 | G1053 T1058 | G1053-L1056 PolarHBondContact O-N 3.18Å; G1053-L1056 VanDerWaalsContact O-N 3.14Å; L1056-T1058 VanDerWaalsContact C-N 3.29Å; L1056-T1058 PolarHBondContact O-N 3Å |
| 1057 | A | 49.3 | Very low | 66.5 | Low | 86 Ų | 86 | 63.3 Ų | 63.3 | 71% | 0.711 | 37% | 0.367 | S | S | * | . | H | α-helix | trans | -75.8 | -13.8 | -175.8 | 0 | 0 | 0 | 0 | 0 | 113.9 | G1053 | G1053-A1057 WeakPolarHBondContact O-CB 3.49Å; G1053-A1057 PolarHBondContact O-N 2.93Å |
| 1058 | T | 41.9 | Very low | 66.8 | Low | 38 Ų | 38 | 64.2 Ų | 64.2 | 23% | 0.233 | 37% | 0.374 | C | S | . | . | trans | -132.1 | 124.5 | -175.7 | 63.1 | 0 | 0 | 0 | 0 | 111.3 | Y1054 L1056 T1060 N1061 | Y1054-T1058 PolarHBondContact O-N 2.95Å; Y1054-T1058 PolarHBondContact O-OG1 3.48Å; L1056-T1058 VanDerWaalsContact C-N 3.29Å; L1056-T1058 PolarHBondContact O-N 3Å; T1058-T1060 PolarHBondContact O-N 3.47Å; T1058-N1061 HydrophobicContact CG2-CB 4.39Å; T1058-N1061 WeakPolarHBondContact OG1-CB 3.33Å | ||
| 1059 | T | 41.9 | Very low | 67.2 | Low | 152 Ų | 152 | 59.1 Ų | 59.1 | 93% | 0.933 | 35% | 0.351 | S | S | * | . | S | Bend | trans | -75.4 | 0.7 | 175.7 | 44.6 | 0 | 0 | 0 | 0 | 113.2 | ||
| 1060 | T | 40.8 | Very low | 67.9 | Low | 107 Ų | 107 | 58.6 Ų | 58.6 | 66% | 0.656 | 35% | 0.346 | S | S | * | . | S | Bend | trans | -137.6 | -21.9 | -162.6 | 47.1 | 0 | 0 | 0 | 0 | 116.1 | T1058 E1062 | T1058-T1060 PolarHBondContact O-N 3.47Å; T1060-E1062 PolarHBondContact O-N 2.86Å |
| 1061 | N | 47.9 | Very low | 68.8 | Low | 67 Ų | 67 | 57.4 Ų | 57.4 | 36% | 0.358 | 34% | 0.34 | S | S | . | . | trans | -88.6 | 107.7 | -159.1 | -63.8 | 14.9 | 0 | 0 | 0 | 113.3 | Y1054 T1058 | Y1054-N1061 HydrophobicContact CE1-CB 3.69Å; Y1054-N1061 PolarHBondContact OH-ND2 2.87Å; Y1054-N1061 VanDerWaalsContact OH-ND2 3.15Å; T1058-N1061 HydrophobicContact CG2-CB 4.39Å; T1058-N1061 WeakPolarHBondContact OG1-CB 3.33Å | ||
| 1062 | E | 62.3 | Low | 70.1 | Confident | 81 Ų | 81 | 53.4 Ų | 53.4 | 38% | 0.379 | 32% | 0.318 | S | S | . | . | trans | -61.9 | 151.9 | 157.2 | -50.6 | -173.5 | 151.7 | 0 | 0 | 109.9 | R918 R994 T1060 | R918-E1062 IonicContact CZ-OE1 2.72Å; R918-E1062 IonicContact NH1-OE1 3.65Å; R918-E1062 PolarHBondContact NH1-OE1 3.3Å; R994-E1062 IonicContact CZ-OE2 3.95Å; R994-E1062 IonicContact NH1-OE1 3.17Å; R994-E1062 IonicContact NH1-OE2 3.25Å; R994-E1062 PolarHBondContact NH1-OE2 3.35Å; R994-E1062 IonicContact NH2-OE2 2.69Å; R994-E1062 PolarHBondContact NH2-OE2 3.05Å; T1060-E1062 PolarHBondContact O-N 2.86Å | ||
| 1063 | L | 73.4 | Confident | 71.6 | Confident | 7 Ų | 7 | 51.1 Ų | 51.1 | 4% | 0.037 | 31% | 0.307 | C | S | . | . | trans | -54.8 | 151.1 | 171 | -76.4 | 174 | 0 | 0 | 0 | 110.7 | F1017 F1019 I1046 A1049 L1050 L1065 | F1017-L1063 HydrophobicContact CE1-CD1 4Å; F1019-L1063 HydrophobicContact CB-CD1 3.95Å; F1019-L1063 HydrophobicContact CB-CG 3.9Å; F1019-L1063 HydrophobicContact CD1-CD1 4.15Å; F1019-L1063 HydrophobicContact CD1-CD2 3.82Å; F1019-L1063 HydrophobicContact CD1-CG 3.74Å; F1019-L1063 HydrophobicContact CD2-CD1 3.6Å; F1019-L1063 HydrophobicContact CD2-CG 4.14Å; F1019-L1063 HydrophobicContact CE1-CD2 3.87Å; F1019-L1063 HydrophobicContact CE1-CG 4.27Å; F1019-L1063 HydrophobicContact CE2-CD1 4.09Å; F1019-L1063 HydrophobicContact CG-CD1 3.64Å; F1019-L1063 HydrophobicContact CG-CD2 4.19Å; F1019-L1063 HydrophobicContact CG-CG 3.67Å; F1019-L1063 HydrophobicContact CZ-CD2 4.28Å; I1046-L1063 HydrophobicContact CG2-CB 4.42Å; I1046-L1063 HydrophobicContact CG2-CD1 3.89Å; I1046-L1063 HydrophobicContact CG2-CD2 4.44Å; I1046-L1063 HydrophobicContact CG2-CG 4.5Å; A1049-L1063 HydrophobicContact CB-CD2 3.9Å; A1049-L1063 WeakPolarHBondContact O-CD2 3.46Å; L1050-L1063 HydrophobicContact CD2-CD1 3.87Å; L1050-L1063 HydrophobicContact CD2-CD2 4.16Å; L1063-L1065 HydrophobicContact CB-CD1 3.77Å; L1063-L1065 HydrophobicContact CB-CG 3.86Å; L1063-L1065 PolarHBondContact O-N 2.73Å | ||
| 1064 | P | 80.9 | Confident | 73.6 | Confident | 60 Ų | 60 | 49.4 Ų | 49.4 | 39% | 0.39 | 29% | 0.29 | S | S | . | . | trans | -74.1 | 51.5 | -176.5 | 30.8 | -35.3 | 0 | 0 | 0 | 113.3 | I1046 A1049 T1066 | I1046-P1064 VanDerWaalsContact CD1-C 3.46Å; I1046-P1064 HydrophobicContact CD1-CG 4.08Å; I1046-P1064 WeakPolarHBondContact CD1-O 3.43Å; A1049-P1064 HydrophobicContact CB-CG 3.8Å; P1064-T1066 PolarHBondContact O-N 2.89Å | ||
| 1065 | L | 87.5 | Confident | 75.7 | Confident | 20 Ų | 20 | 45 Ų | 45 | 11% | 0.105 | 27% | 0.272 | C | S | . | . | trans | -74.5 | 104.6 | -174.6 | -68 | 154.7 | 0 | 0 | 0 | 110.4 | R994 F1017 I1046 L1063 | R994-L1065 HydrophobicContact CB-CD1 4.07Å; R994-L1065 HydrophobicContact CG-CB 3.99Å; R994-L1065 HydrophobicContact CG-CD1 4.11Å; F1017-L1065 HydrophobicContact CD1-CD1 3.92Å; I1046-L1065 HydrophobicContact CD1-CD2 4.05Å; I1046-L1065 HydrophobicContact CD1-CG 4.27Å; I1046-L1065 HydrophobicContact CG1-CD2 4.24Å; I1046-L1065 HydrophobicContact CG2-CD2 4.21Å; L1063-L1065 HydrophobicContact CB-CD1 3.77Å; L1063-L1065 HydrophobicContact CB-CG 3.86Å; L1063-L1065 PolarHBondContact O-N 2.73Å | ||
| 1066 | T | 93.3 | Very high | 78 | Confident | 58 Ų | 58 | 43.6 Ų | 43.6 | 36% | 0.356 | 26% | 0.264 | S | S | . | . | trans | -103.7 | 169.6 | -177.9 | 59 | 0 | 0 | 0 | 0 | 112.4 | P1064 S1068 S1069 D1070 | P1064-T1066 PolarHBondContact O-N 2.89Å; T1066-S1068 PolarHBondContact O-N 2.68Å; T1066-S1068 PolarHBondContact OG1-N 3.35Å; T1066-S1069 PolarHBondContact N-OG 3.31Å; T1066-S1069 WeakPolarHBondContact O-CB 3.38Å; T1066-S1069 PolarHBondContact O-N 3.17Å; T1066-S1069 PolarHBondContact O-OG 2.89Å; T1066-S1069 PolarHBondContact OG1-N 2.99Å; T1066-D1070 PolarHBondContact O-N 2.95Å | ||
| 1067 | T | 95.8 | Very high | 80.3 | Confident | 63 Ų | 63 | 38 Ų | 38 | 39% | 0.387 | 23% | 0.234 | S | C | . | . | H | α-helix | trans | -53 | -40.7 | 166.5 | 49.3 | 0 | 0 | 0 | 0 | 112.3 | H987 V992 S1069 D1070 V1071 | H987-T1067 HydrophobicContact CB-CG2 4.22Å; H987-T1067 VanDerWaalsContact CE1-CA 3.4Å; H987-T1067 WeakPolarHBondContact CE1-CA 3.38Å; H987-T1067 WeakPolarHBondContact CE1-CB 3.5Å; H987-T1067 PolarHBondContact CE1-O 3.12Å; H987-T1067 WeakPolarHBondContact ND1-CB 3.23Å; H987-T1067 WeakPolarHBondContact ND1-CG2 3.45Å; V992-T1067 HydrophobicContact CG2-CG2 4.24Å; T1067-S1069 VanDerWaalsContact C-N 3.26Å; T1067-S1069 PolarHBondContact O-N 3.45Å; T1067-D1070 PolarHBondContact O-N 2.93Å; T1067-V1071 PolarHBondContact O-N 2.88Å; T1067-V1071 VanDerWaalsContact O-N 3.15Å |
| 1068 | S | 97.4 | Very high | 82.5 | Confident | 27 Ų | 27 | 33.9 Ų | 33.9 | 19% | 0.189 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -65 | -23.9 | 174.2 | -65.8 | 0 | 0 | 0 | 0 | 114 | T1066 F1072 P1128 R1131 | T1066-S1068 PolarHBondContact O-N 2.68Å; T1066-S1068 PolarHBondContact OG1-N 3.35Å; S1068-F1072 PolarHBondContact O-N 2.66Å; S1068-P1128 WeakPolarHBondContact CB-O 3.36Å; S1068-P1128 PolarHBondContact OG-O 3.15Å; S1068-R1131 VanDerWaalsContact O-CD 3.26Å; S1068-R1131 WeakPolarHBondContact O-CD 3.22Å; S1068-R1131 PolarHBondContact O-NH1 3.1Å |
| 1069 | S | 96 | Very high | 85 | Confident | 6 Ų | 6 | 33.5 Ų | 33.5 | 4% | 0.042 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -75.9 | -38.5 | 173.7 | 75 | 0 | 0 | 0 | 0 | 112 | T1066 T1067 V1071 F1072 A1073 | T1066-S1069 PolarHBondContact N-OG 3.31Å; T1066-S1069 WeakPolarHBondContact O-CB 3.38Å; T1066-S1069 PolarHBondContact O-N 3.17Å; T1066-S1069 PolarHBondContact O-OG 2.89Å; T1066-S1069 PolarHBondContact OG1-N 2.99Å; T1067-S1069 VanDerWaalsContact C-N 3.26Å; T1067-S1069 PolarHBondContact O-N 3.45Å; S1069-V1071 VanDerWaalsContact C-N 3.27Å; S1069-V1071 PolarHBondContact O-N 2.73Å; S1069-F1072 WeakPolarHBondContact O-CB 3.29Å; S1069-F1072 PolarHBondContact O-N 2.67Å; S1069-A1073 PolarHBondContact O-N 2.61Å |
| 1070 | D | 97.4 | Very high | 87.4 | Confident | 3 Ų | 3 | 26.2 Ų | 26.2 | 2% | 0.016 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -61.7 | -35.1 | 170.5 | -72.6 | -23.3 | 0 | 0 | 0 | 111.8 | M983 H987 V992 H993 R994 T1066 T1067 A1073 F1074 F1134 | M983-D1070 HydrophobicContact CE-CB 3.65Å; M983-D1070 WeakPolarHBondContact CE-OD2 3.13Å; H987-D1070 IonicContact CD2-OD2 3.71Å; H987-D1070 IonicContact CE1-OD2 2.77Å; H987-D1070 IonicContact NE2-OD2 3.86Å; H987-D1070 PolarHBondContact NE2-OD2 3.46Å; V992-D1070 WeakPolarHBondContact CA-OD2 3.35Å; V992-D1070 VanDerWaalsContact CG1-OD2 3.28Å; V992-D1070 WeakPolarHBondContact CG1-OD2 3.29Å; H993-D1070 PolarHBondContact N-OD1 3.22Å; H993-D1070 PolarHBondContact N-OD2 2.77Å; R994-D1070 PolarHBondContact N-OD1 3.12Å; T1066-D1070 PolarHBondContact O-N 2.95Å; T1067-D1070 PolarHBondContact O-N 2.93Å; D1070-A1073 PolarHBondContact O-N 3.46Å; D1070-F1074 PolarHBondContact O-N 2.83Å; D1070-F1134 HydrophobicContact CB-CE2 4.11Å |
| 1071 | V | 98.3 | Very high | 89.9 | Confident | 3 Ų | 3 | 21.3 Ų | 21.3 | 2% | 0.018 | 12% | 0.12 | C | C | . | . | H | α-helix | trans | -65.9 | -38.4 | 175.7 | 169.1 | 0 | 0 | 0 | 0 | 111.8 | T1067 S1069 F1074 G1075 C1123 R1131 P1132 F1134 L1137 | T1067-V1071 PolarHBondContact O-N 2.88Å; T1067-V1071 VanDerWaalsContact O-N 3.15Å; S1069-V1071 VanDerWaalsContact C-N 3.27Å; S1069-V1071 PolarHBondContact O-N 2.73Å; V1071-F1074 PolarHBondContact O-N 3.04Å; V1071-G1075 PolarHBondContact O-N 2.95Å; V1071-C1123 HydrophobicContact CG1-CB 4.41Å; V1071-R1131 HydrophobicContact CB-CB 4.48Å; V1071-R1131 HydrophobicContact CG1-CB 3.84Å; V1071-P1132 WeakPolarHBondContact CG1-O 3.41Å; V1071-P1132 WeakPolarHBondContact CG2-O 3.36Å; V1071-F1134 HydrophobicContact CG2-CD2 3.88Å; V1071-F1134 HydrophobicContact CG2-CE2 3.57Å; V1071-F1134 HydrophobicContact CG2-CZ 4.04Å; V1071-L1137 HydrophobicContact CG1-CD1 4.12Å; V1071-L1137 HydrophobicContact CG2-CD1 4.48Å |
| 1072 | F | 97.6 | Very high | 92 | Very high | 13 Ų | 13 | 19.5 Ų | 19.5 | 6% | 0.057 | 11% | 0.11 | C | C | . | . | H | α-helix | trans | -63.9 | -45.6 | 174 | -173.4 | -81.8 | 0 | 0 | 0 | 111 | I1042 A1043 P1044 S1068 S1069 F1074 G1075 T1076 V1100 W1124 | I1042-F1072 WeakPolarHBondContact O-CE1 3.49Å; A1043-F1072 HydrophobicContact CB-CB 3.66Å; A1043-F1072 HydrophobicContact CB-CD1 3.94Å; A1043-F1072 HydrophobicContact CB-CD2 4.07Å; A1043-F1072 HydrophobicContact CB-CG 3.62Å; P1044-F1072 HydrophobicContact CG-CE2 4.24Å; S1068-F1072 PolarHBondContact O-N 2.66Å; S1069-F1072 WeakPolarHBondContact O-CB 3.29Å; S1069-F1072 PolarHBondContact O-N 2.67Å; F1072-F1074 VanDerWaalsContact C-N 3.31Å; F1072-F1074 PolarHBondContact O-N 2.64Å; F1072-G1075 VanDerWaalsContact O-CA 3.32Å; F1072-G1075 WeakPolarHBondContact O-CA 3.29Å; F1072-G1075 PolarHBondContact O-N 3.47Å; F1072-T1076 PolarHBondContact O-N 2.83Å; F1072-T1076 VanDerWaalsContact O-N 3.1Å; F1072-V1100 HydrophobicContact CZ-CG1 4.07Å; F1072-W1124 HydrophobicContact CD2-CB 4.4Å; F1072-W1124 AromaticContact CD2-CD1 3.62Å; F1072-W1124 HydrophobicContact CD2-CG 4.35Å; F1072-W1124 AromaticContact CE1-CD1 3.86Å; F1072-W1124 AromaticContact CE1-NE1 3.91Å; F1072-W1124 HydrophobicContact CE2-CB 3.98Å; F1072-W1124 AromaticContact CE2-CD1 3.44Å; F1072-W1124 VanDerWaalsContact CE2-CD1 3.44Å; F1072-W1124 AromaticContact CE2-CG 3.93Å; F1072-W1124 HydrophobicContact CE2-CG 3.93Å; F1072-W1124 AromaticContact CG-CD1 3.89Å; F1072-W1124 AromaticContact CZ-CD1 3.57Å; F1072-W1124 HydrophobicContact CZ-CG 4.2Å; F1072-W1124 AromaticContact CZ-NE1 3.95Å; F1072-W1124 PolarHBondContact O-NE1 2.8Å |
| 1073 | A | 97 | Very high | 93.3 | Very high | 7 Ų | 7 | 17.5 Ų | 17.5 | 6% | 0.058 | 10% | 0.104 | C | C | . | . | H | α-helix | trans | -60.9 | -38.1 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | L996 Y1041 S1069 D1070 G1075 T1076 V1077 | L996-A1073 HydrophobicContact CB-CB 4.17Å; L996-A1073 WeakPolarHBondContact O-CB 3.25Å; Y1041-A1073 HydrophobicContact CD1-CB 4.27Å; Y1041-A1073 WeakPolarHBondContact O-CB 3.48Å; S1069-A1073 PolarHBondContact O-N 2.61Å; D1070-A1073 PolarHBondContact O-N 3.46Å; A1073-G1075 VanDerWaalsContact C-N 3.33Å; A1073-G1075 PolarHBondContact O-N 3.11Å; A1073-T1076 WeakPolarHBondContact O-CB 3.4Å; A1073-T1076 PolarHBondContact O-N 3.08Å; A1073-T1076 VanDerWaalsContact O-N 3.12Å; A1073-V1077 PolarHBondContact O-N 2.94Å |
| 1074 | F | 98.1 | Very high | 94.1 | Very high | 0 Ų | 0 | 19.5 Ų | 19.5 | 0% | 0 | 11% | 0.114 | C | C | . | . | H | α-helix | trans | -63.3 | -36 | 169.8 | 175 | -97.2 | 0 | 0 | 0 | 112.8 | A976 I979 A980 L996 D1070 V1071 F1072 T1076 V1077 W1078 F1134 L1137 L1141 | A976-F1074 HydrophobicContact CB-CE2 4.46Å; A976-F1074 HydrophobicContact CB-CZ 4.14Å; I979-F1074 HydrophobicContact CB-CD2 4.39Å; I979-F1074 HydrophobicContact CB-CE2 4.07Å; I979-F1074 HydrophobicContact CG2-CD2 3.76Å; I979-F1074 HydrophobicContact CG2-CE2 3.96Å; A980-F1074 HydrophobicContact CB-CE2 4.43Å; A980-F1074 HydrophobicContact CB-CZ 4.37Å; L996-F1074 HydrophobicContact CD2-CB 3.88Å; D1070-F1074 PolarHBondContact O-N 2.83Å; V1071-F1074 PolarHBondContact O-N 3.04Å; F1072-F1074 VanDerWaalsContact C-N 3.31Å; F1072-F1074 PolarHBondContact O-N 2.64Å; F1074-T1076 VanDerWaalsContact C-N 3.26Å; F1074-T1076 PolarHBondContact O-N 2.9Å; F1074-V1077 PolarHBondContact O-N 2.74Å; F1074-W1078 WeakPolarHBondContact O-CB 3.37Å; F1074-W1078 PolarHBondContact O-N 3.13Å; F1074-F1134 HydrophobicContact CB-CE1 3.69Å; F1074-F1134 HydrophobicContact CB-CZ 3.71Å; F1074-F1134 HydrophobicContact CD1-CE1 4.06Å; F1074-F1134 AromaticContact CD2-CE1 3.92Å; F1074-F1134 HydrophobicContact CD2-CE1 3.92Å; F1074-F1134 AromaticContact CG-CE1 3.6Å; F1074-F1134 HydrophobicContact CG-CE1 3.6Å; F1074-F1134 HydrophobicContact CG-CZ 4.17Å; F1074-L1137 HydrophobicContact CD1-CD1 3.76Å; F1074-L1137 HydrophobicContact CE1-CD1 4Å; F1074-L1137 HydrophobicContact CE1-CD2 4.32Å; F1074-L1141 HydrophobicContact CE1-CD1 4.35Å; F1074-L1141 HydrophobicContact CZ-CD1 3.83Å |
| 1075 | G | 96.8 | Very high | 94.4 | Very high | 0 Ų | 0 | 20.8 Ų | 20.8 | 0% | 0 | 12% | 0.115 | C | C | . | . | H | α-helix | trans | -56 | -41.2 | 169 | 0 | 0 | 0 | 0 | 0 | 112.4 | V1071 F1072 A1073 W1078 Y1079 L1120 C1123 | V1071-G1075 PolarHBondContact O-N 2.95Å; F1072-G1075 VanDerWaalsContact O-CA 3.32Å; F1072-G1075 WeakPolarHBondContact O-CA 3.29Å; F1072-G1075 PolarHBondContact O-N 3.47Å; A1073-G1075 VanDerWaalsContact C-N 3.33Å; A1073-G1075 PolarHBondContact O-N 3.11Å; G1075-W1078 WeakPolarHBondContact O-CB 3.28Å; G1075-W1078 PolarHBondContact O-N 3.14Å; G1075-Y1079 PolarHBondContact O-N 3.25Å; G1075-L1120 WeakPolarHBondContact O-CD1 3.49Å; G1075-C1123 VanDerWaalsContact CA-CB 3.44Å |
| 1076 | T | 95.9 | Very high | 94.3 | Very high | 0 Ų | 0 | 20.6 Ų | 20.6 | 0% | 0 | 11% | 0.113 | C | C | . | . | H | α-helix | trans | -69 | -41.2 | 175.6 | -57.2 | 0 | 0 | 0 | 0 | 112.4 | C1040 Y1041 F1072 A1073 F1074 W1078 Y1079 E1080 P1087 W1124 | C1040-T1076 VanDerWaalsContact O-CG2 3.29Å; C1040-T1076 WeakPolarHBondContact O-CG2 3.48Å; C1040-T1076 PolarHBondContact O-OG1 3.28Å; Y1041-T1076 HydrophobicContact CD1-CG2 3.74Å; Y1041-T1076 HydrophobicContact CD2-CG2 3.86Å; Y1041-T1076 HydrophobicContact CE1-CG2 3.74Å; Y1041-T1076 HydrophobicContact CE2-CG2 3.86Å; Y1041-T1076 HydrophobicContact CG-CG2 3.82Å; F1072-T1076 PolarHBondContact O-N 2.83Å; F1072-T1076 VanDerWaalsContact O-N 3.1Å; A1073-T1076 WeakPolarHBondContact O-CB 3.4Å; A1073-T1076 PolarHBondContact O-N 3.08Å; A1073-T1076 VanDerWaalsContact O-N 3.12Å; F1074-T1076 VanDerWaalsContact C-N 3.26Å; F1074-T1076 PolarHBondContact O-N 2.9Å; T1076-W1078 VanDerWaalsContact C-N 3.27Å; T1076-W1078 PolarHBondContact O-N 3.32Å; T1076-Y1079 PolarHBondContact O-N 3.29Å; T1076-E1080 PolarHBondContact O-N 3.04Å; T1076-P1087 HydrophobicContact CG2-CG 3.87Å; T1076-W1124 PolarHBondContact OG1-NE1 3.07Å; T1076-W1124 VanDerWaalsContact OG1-NE1 3.08Å |
| 1077 | V | 96.5 | Very high | 94.1 | Very high | 0 Ų | 0 | 18 Ų | 18 | 0% | 0 | 10% | 0.097 | C | C | . | . | H | α-helix | trans | -57.7 | -40.7 | 169.6 | 176.2 | 0 | 0 | 0 | 0 | 111.4 | L956 I979 T998 L1001 Y1041 A1073 F1074 E1080 L1081 | L956-V1077 HydrophobicContact CD2-CG1 4.39Å; I979-V1077 HydrophobicContact CD1-CG1 3.95Å; T998-V1077 HydrophobicContact CG2-CB 4.38Å; T998-V1077 HydrophobicContact CG2-CG1 3.93Å; T998-V1077 HydrophobicContact CG2-CG2 4.14Å; L1001-V1077 HydrophobicContact CD1-CG1 3.95Å; L1001-V1077 HydrophobicContact CD1-CG2 4.17Å; Y1041-V1077 HydrophobicContact CE1-CG2 3.75Å; A1073-V1077 PolarHBondContact O-N 2.94Å; F1074-V1077 PolarHBondContact O-N 2.74Å; V1077-E1080 PolarHBondContact O-N 2.88Å; V1077-L1081 HydrophobicContact CG1-CD1 3.9Å; V1077-L1081 HydrophobicContact CG1-CG 4.4Å; V1077-L1081 VanDerWaalsContact O-CB 3.32Å; V1077-L1081 WeakPolarHBondContact O-CB 3.22Å; V1077-L1081 WeakPolarHBondContact O-CG 3.24Å; V1077-L1081 PolarHBondContact O-N 3.35Å |
| 1078 | W | 95.6 | Very high | 93.6 | Very high | 0 Ų | 0 | 16.2 Ų | 16.2 | 0% | 0 | 8% | 0.084 | C | C | . | . | H | α-helix | trans | -68.4 | -35.3 | 178.1 | -177.7 | -123.2 | 0 | 0 | 0 | 112.7 | T972 I973 A976 F1074 G1075 T1076 L1081 L1082 F1116 L1141 L1144 | T972-W1078 HydrophobicContact CG2-CE3 4.24Å; T972-W1078 HydrophobicContact CG2-CH2 4.1Å; T972-W1078 HydrophobicContact CG2-CZ3 3.49Å; T972-W1078 VanDerWaalsContact CG2-CZ3 3.49Å; I973-W1078 HydrophobicContact CG1-CH2 4.27Å; A976-W1078 HydrophobicContact CB-CE3 3.65Å; A976-W1078 HydrophobicContact CB-CZ3 3.57Å; F1074-W1078 WeakPolarHBondContact O-CB 3.37Å; F1074-W1078 PolarHBondContact O-N 3.13Å; G1075-W1078 WeakPolarHBondContact O-CB 3.28Å; G1075-W1078 PolarHBondContact O-N 3.14Å; T1076-W1078 VanDerWaalsContact C-N 3.27Å; T1076-W1078 PolarHBondContact O-N 3.32Å; W1078-L1081 HydrophobicContact CE3-CB 4.44Å; W1078-L1081 HydrophobicContact CE3-CD1 4.36Å; W1078-L1082 HydrophobicContact CD2-CD1 4.02Å; W1078-L1082 HydrophobicContact CD2-CG 4.29Å; W1078-L1082 HydrophobicContact CE3-CG 4.49Å; W1078-L1082 HydrophobicContact CG-CD1 4.34Å; W1078-L1082 HydrophobicContact CH2-CD2 4.24Å; W1078-L1082 HydrophobicContact CZ2-CD1 3.95Å; W1078-L1082 HydrophobicContact CZ2-CD2 4.27Å; W1078-L1082 HydrophobicContact CZ2-CG 4.38Å; W1078-L1082 WeakPolarHBondContact O-CB 3.32Å; W1078-L1082 VanDerWaalsContact O-CG 3.25Å; W1078-L1082 WeakPolarHBondContact O-CG 3.44Å; W1078-L1082 PolarHBondContact O-N 3.44Å; W1078-F1116 AromaticContact CH2-CD1 3.77Å; W1078-F1116 HydrophobicContact CH2-CD1 3.77Å; W1078-F1116 HydrophobicContact CH2-CE1 4.13Å; W1078-F1116 HydrophobicContact CZ2-CB 4.18Å; W1078-F1116 AromaticContact CZ2-CD1 3.51Å; W1078-F1116 HydrophobicContact CZ2-CD1 3.51Å; W1078-F1116 HydrophobicContact CZ2-CE1 4.3Å; W1078-F1116 HydrophobicContact CZ2-CG 4.19Å; W1078-F1116 PolarHBondContact NE1-O 2.85Å; W1078-L1141 HydrophobicContact CE3-CD2 4.45Å; W1078-L1141 HydrophobicContact CH2-CD2 3.98Å; W1078-L1141 HydrophobicContact CZ2-CD2 4.19Å; W1078-L1141 HydrophobicContact CZ3-CD2 4.11Å; W1078-L1144 HydrophobicContact CH2-CD1 3.84Å; W1078-L1144 HydrophobicContact CZ2-CD1 3.86Å |
| 1079 | Y | 94.4 | Very high | 93 | Very high | 29 Ų | 29 | 20.5 Ų | 20.5 | 11% | 0.114 | 10% | 0.099 | C | C | . | . | H | α-helix | trans | -63.3 | -48.8 | 170.5 | -179.2 | -81.2 | 0 | 0 | 0 | 111.7 | G1075 T1076 L1081 L1082 T1083 E1085 P1087 P1106 I1110 L1120 W1124 | G1075-Y1079 PolarHBondContact O-N 3.25Å; T1076-Y1079 PolarHBondContact O-N 3.29Å; Y1079-L1081 VanDerWaalsContact C-N 3.33Å; Y1079-L1081 PolarHBondContact O-N 3.23Å; Y1079-L1082 PolarHBondContact O-N 3.37Å; Y1079-L1082 VanDerWaalsContact O-N 3.1Å; Y1079-T1083 HydrophobicContact CD1-CG2 4.28Å; Y1079-T1083 WeakPolarHBondContact CD1-OG1 3.43Å; Y1079-T1083 HydrophobicContact CD2-CG2 4.42Å; Y1079-T1083 HydrophobicContact CE1-CG2 3.96Å; Y1079-T1083 VanDerWaalsContact CE1-OG1 3.31Å; Y1079-T1083 WeakPolarHBondContact CE1-OG1 3.07Å; Y1079-T1083 HydrophobicContact CE2-CG2 4.16Å; Y1079-T1083 HydrophobicContact CG-CG2 4.49Å; Y1079-T1083 WeakPolarHBondContact O-CB 3.34Å; Y1079-T1083 WeakPolarHBondContact O-CG2 3.31Å; Y1079-T1083 PolarHBondContact O-N 3.35Å; Y1079-T1083 VanDerWaalsContact O-N 3.11Å; Y1079-T1083 PolarHBondContact O-OG1 2.89Å; Y1079-E1085 WeakPolarHBondContact CD1-O 3.07Å; Y1079-E1085 VanDerWaalsContact CE1-O 3.3Å; Y1079-E1085 WeakPolarHBondContact CE1-O 3.24Å; Y1079-P1087 HydrophobicContact CD1-CB 3.84Å; Y1079-P1087 HydrophobicContact CD1-CG 3.82Å; Y1079-P1087 HydrophobicContact CD2-CB 4.44Å; Y1079-P1087 HydrophobicContact CE1-CB 3.74Å; Y1079-P1087 HydrophobicContact CE1-CG 4.17Å; Y1079-P1087 HydrophobicContact CE2-CB 4.32Å; Y1079-P1087 HydrophobicContact CG-CB 4.21Å; Y1079-P1087 HydrophobicContact CG-CG 4.21Å; Y1079-P1106 HydrophobicContact CD2-CG 4.46Å; Y1079-P1106 HydrophobicContact CE2-CG 4.07Å; Y1079-I1110 HydrophobicContact CD2-CD1 3.88Å; Y1079-I1110 HydrophobicContact CE2-CD1 3.84Å; Y1079-I1110 HydrophobicContact CE2-CG1 4.44Å; Y1079-L1120 HydrophobicContact CD2-CD2 4Å; Y1079-W1124 AromaticContact CD2-CH2 3.42Å; Y1079-W1124 HydrophobicContact CD2-CH2 3.42Å; Y1079-W1124 VanDerWaalsContact CD2-CH2 3.42Å; Y1079-W1124 HydrophobicContact CD2-CZ2 4.44Å; Y1079-W1124 AromaticContact CD2-CZ3 3.91Å; Y1079-W1124 HydrophobicContact CD2-CZ3 3.91Å; Y1079-W1124 HydrophobicContact CE2-CH2 4.2Å; Y1079-W1124 AromaticContact CG-CH2 3.69Å; Y1079-W1124 HydrophobicContact CG-CH2 3.69Å; Y1079-W1124 HydrophobicContact CG-CZ2 4.33Å |
| 1080 | E | 93.4 | Very high | 92.5 | Very high | 0 Ų | 0 | 23.8 Ų | 23.8 | 0% | 0 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -56.7 | -47.7 | 177.4 | -110.5 | 179.4 | -119.1 | 0 | 0 | 110.6 | I960 H961 T998 Y1041 T1076 V1077 L1082 T1083 N1084 Y1086 | I960-E1080 HydrophobicContact CD1-CB 4.29Å; I960-E1080 HydrophobicContact CG2-CB 4.37Å; I960-E1080 HydrophobicContact CG2-CG 4.47Å; H961-E1080 IonicContact CE1-OE2 2.65Å; H961-E1080 PolarHBondContact CE1-OE2 3.26Å; T998-E1080 VanDerWaalsContact CB-OE2 3.3Å; T998-E1080 WeakPolarHBondContact CB-OE2 3.03Å; T998-E1080 HydrophobicContact CG2-CB 4.44Å; T998-E1080 WeakPolarHBondContact CG2-OE2 3.32Å; T998-E1080 PolarHBondContact OG1-OE2 2.97Å; Y1041-E1080 VanDerWaalsContact OH-CD 3.26Å; Y1041-E1080 PolarHBondContact OH-OE1 3.33Å; Y1041-E1080 PolarHBondContact OH-OE2 2.92Å; T1076-E1080 PolarHBondContact O-N 3.04Å; V1077-E1080 PolarHBondContact O-N 2.88Å; E1080-L1082 PolarHBondContact O-N 3.33Å; E1080-L1082 VanDerWaalsContact O-N 3.13Å; E1080-T1083 PolarHBondContact O-N 2.94Å; E1080-N1084 WeakPolarHBondContact O-CA 3.24Å; E1080-N1084 PolarHBondContact O-N 3.42Å; E1080-Y1086 VanDerWaalsContact OE1-CD1 3.23Å; E1080-Y1086 WeakPolarHBondContact OE1-CD1 3.35Å; E1080-Y1086 WeakPolarHBondContact OE1-CE1 3.31Å |
| 1081 | L | 93.1 | Very high | 92.1 | Very high | 4 Ų | 4 | 27.5 Ų | 27.5 | 2% | 0.021 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -61.2 | -16.9 | 177.3 | -83.9 | 171.7 | 0 | 0 | 0 | 115.7 | L956 I960 M967 T972 I975 A976 I979 V1077 W1078 Y1079 | L956-L1081 HydrophobicContact CD1-CD2 4.21Å; L956-L1081 HydrophobicContact CD2-CD2 4.32Å; I960-L1081 HydrophobicContact CD1-CD2 3.72Å; I960-L1081 HydrophobicContact CD1-CG 3.91Å; I960-L1081 HydrophobicContact CG1-CD2 4.37Å; M967-L1081 HydrophobicContact CE-CD2 3.65Å; T972-L1081 HydrophobicContact CG2-CB 3.95Å; T972-L1081 WeakPolarHBondContact CG2-O 3.12Å; T972-L1081 PolarHBondContact OG1-O 3Å; I975-L1081 HydrophobicContact CG2-CD1 4.14Å; I975-L1081 HydrophobicContact CG2-CD2 4.09Å; A976-L1081 HydrophobicContact CB-CD1 4.29Å; I979-L1081 HydrophobicContact CD1-CD1 4.47Å; V1077-L1081 HydrophobicContact CG1-CD1 3.9Å; V1077-L1081 HydrophobicContact CG1-CG 4.4Å; V1077-L1081 VanDerWaalsContact O-CB 3.32Å; V1077-L1081 WeakPolarHBondContact O-CB 3.22Å; V1077-L1081 WeakPolarHBondContact O-CG 3.24Å; V1077-L1081 PolarHBondContact O-N 3.35Å; W1078-L1081 HydrophobicContact CE3-CB 4.44Å; W1078-L1081 HydrophobicContact CE3-CD1 4.36Å; Y1079-L1081 VanDerWaalsContact C-N 3.33Å; Y1079-L1081 PolarHBondContact O-N 3.23Å |
| 1082 | L | 91.4 | Very high | 91.6 | Very high | 28 Ų | 28 | 31 Ų | 31 | 15% | 0.147 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -107.8 | -11.6 | -179.4 | -71.2 | 177.5 | 0 | 0 | 0 | 114 | I969 T972 W1078 Y1079 E1080 F1116 | I969-L1082 HydrophobicContact CD1-CD2 3.66Å; T972-L1082 HydrophobicContact CG2-CD2 4.04Å; W1078-L1082 HydrophobicContact CD2-CD1 4.02Å; W1078-L1082 HydrophobicContact CD2-CG 4.29Å; W1078-L1082 HydrophobicContact CE3-CG 4.49Å; W1078-L1082 HydrophobicContact CG-CD1 4.34Å; W1078-L1082 HydrophobicContact CH2-CD2 4.24Å; W1078-L1082 HydrophobicContact CZ2-CD1 3.95Å; W1078-L1082 HydrophobicContact CZ2-CD2 4.27Å; W1078-L1082 HydrophobicContact CZ2-CG 4.38Å; W1078-L1082 WeakPolarHBondContact O-CB 3.32Å; W1078-L1082 VanDerWaalsContact O-CG 3.25Å; W1078-L1082 WeakPolarHBondContact O-CG 3.44Å; W1078-L1082 PolarHBondContact O-N 3.44Å; Y1079-L1082 PolarHBondContact O-N 3.37Å; Y1079-L1082 VanDerWaalsContact O-N 3.1Å; E1080-L1082 PolarHBondContact O-N 3.33Å; E1080-L1082 VanDerWaalsContact O-N 3.13Å; L1082-F1116 HydrophobicContact CD1-CB 4.25Å; L1082-F1116 HydrophobicContact CD2-CD1 3.92Å |
| 1083 | T | 89.5 | Confident | 91.2 | Very high | 39 Ų | 39 | 32 Ų | 32 | 24% | 0.239 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -128.7 | -16.7 | -171.9 | 59.9 | 0 | 0 | 0 | 0 | 114 | Y1079 E1080 E1085 I1110 | Y1079-T1083 HydrophobicContact CD1-CG2 4.28Å; Y1079-T1083 WeakPolarHBondContact CD1-OG1 3.43Å; Y1079-T1083 HydrophobicContact CD2-CG2 4.42Å; Y1079-T1083 HydrophobicContact CE1-CG2 3.96Å; Y1079-T1083 VanDerWaalsContact CE1-OG1 3.31Å; Y1079-T1083 WeakPolarHBondContact CE1-OG1 3.07Å; Y1079-T1083 HydrophobicContact CE2-CG2 4.16Å; Y1079-T1083 HydrophobicContact CG-CG2 4.49Å; Y1079-T1083 WeakPolarHBondContact O-CB 3.34Å; Y1079-T1083 WeakPolarHBondContact O-CG2 3.31Å; Y1079-T1083 PolarHBondContact O-N 3.35Å; Y1079-T1083 VanDerWaalsContact O-N 3.11Å; Y1079-T1083 PolarHBondContact O-OG1 2.89Å; E1080-T1083 PolarHBondContact O-N 2.94Å; T1083-E1085 PolarHBondContact O-N 3.02Å; T1083-E1085 PolarHBondContact OG1-N 3.44Å; T1083-E1085 PolarHBondContact OG1-O 3.21Å; T1083-E1085 VanDerWaalsContact OG1-O 3.09Å; T1083-I1110 HydrophobicContact CG2-CD1 3.76Å; T1083-I1110 HydrophobicContact CG2-CG1 3.8Å; T1083-I1110 HydrophobicContact CG2-CG2 3.98Å |
| 1084 | N | 89.7 | Confident | 90.8 | Very high | 49 Ų | 49 | 37.2 Ų | 37.2 | 26% | 0.262 | 21% | 0.21 | S | C | . | . | S | Bend | trans | 56.2 | 20.2 | -167.1 | -70.3 | 21.4 | 0 | 0 | 0 | 114.3 | I960 N965 E1080 | I960-N1084 HydrophobicContact CG2-CB 4.32Å; I960-N1084 WeakPolarHBondContact O-CB 3.46Å; I960-N1084 VanDerWaalsContact O-CG 3.27Å; I960-N1084 PolarHBondContact O-ND2 2.9Å; N965-N1084 PolarHBondContact O-ND2 2.97Å; E1080-N1084 WeakPolarHBondContact O-CA 3.24Å; E1080-N1084 PolarHBondContact O-N 3.42Å |
| 1085 | E | 87.6 | Confident | 90.5 | Very high | 88 Ų | 88 | 38.7 Ų | 38.7 | 41% | 0.411 | 22% | 0.223 | S | C | . | . | S | Bend | trans | -138.4 | 156.8 | 177.4 | -57 | -152.1 | 150 | 0 | 0 | 112.8 | Y1079 T1083 K1089 | Y1079-E1085 WeakPolarHBondContact CD1-O 3.07Å; Y1079-E1085 VanDerWaalsContact CE1-O 3.3Å; Y1079-E1085 WeakPolarHBondContact CE1-O 3.24Å; T1083-E1085 PolarHBondContact O-N 3.02Å; T1083-E1085 PolarHBondContact OG1-N 3.44Å; T1083-E1085 PolarHBondContact OG1-O 3.21Å; T1083-E1085 VanDerWaalsContact OG1-O 3.09Å; E1085-K1089 HydrophobicContact CB-CD 4.42Å; E1085-K1089 IonicContact OE1-NZ 3.63Å; E1085-K1089 PolarHBondContact OE1-NZ 3.26Å; E1085-K1089 WeakPolarHBondContact OE2-CD 3.24Å; E1085-K1089 IonicContact OE2-NZ 2.7Å; E1085-K1089 PolarHBondContact OE2-NZ 2.8Å |
| 1086 | Y | 86 | Confident | 90.2 | Very high | 16 Ų | 16 | 39.5 Ų | 39.5 | 6% | 0.063 | 23% | 0.226 | C | C | . | . | trans | -66.1 | 141.7 | 167.6 | -68.7 | -78.8 | 0 | 0 | 0 | 111.9 | Y957 H961 R999 F1037 Y1041 E1080 K1089 | Y957-Y1086 VanDerWaalsContact CD2-OH 3.29Å; Y957-Y1086 WeakPolarHBondContact CD2-OH 3.46Å; Y957-Y1086 HydrophobicContact CE2-CE2 4.12Å; Y957-Y1086 AromaticContact CE2-CZ 3.91Å; Y957-Y1086 WeakPolarHBondContact CE2-OH 3.48Å; H961-Y1086 AromaticContact CE1-CE2 3.85Å; H961-Y1086 AromaticContact NE2-CD2 3.6Å; H961-Y1086 AromaticContact NE2-CE2 3.46Å; H961-Y1086 WeakPolarHBondContact NE2-CE2 3.41Å; R999-Y1086 PolarHBondContact NH2-OH 2.87Å; F1037-Y1086 HydrophobicContact CB-CD1 3.48Å; F1037-Y1086 VanDerWaalsContact CB-CD1 3.48Å; F1037-Y1086 HydrophobicContact CB-CD2 4.3Å; F1037-Y1086 HydrophobicContact CB-CE1 3.41Å; F1037-Y1086 VanDerWaalsContact CB-CE1 3.41Å; F1037-Y1086 HydrophobicContact CB-CE2 4.27Å; F1037-Y1086 HydrophobicContact CB-CG 3.93Å; F1037-Y1086 HydrophobicContact CD1-CD1 4.09Å; F1037-Y1086 AromaticContact CD1-CD2 3.59Å; F1037-Y1086 HydrophobicContact CD1-CD2 3.59Å; F1037-Y1086 HydrophobicContact CD1-CE1 4.49Å; F1037-Y1086 HydrophobicContact CD1-CE2 4.06Å; F1037-Y1086 AromaticContact CD1-CG 3.6Å; F1037-Y1086 HydrophobicContact CD1-CG 3.6Å; F1037-Y1086 HydrophobicContact CD2-CD2 4.01Å; F1037-Y1086 HydrophobicContact CD2-CE1 4.19Å; F1037-Y1086 AromaticContact CD2-CE2 3.59Å; F1037-Y1086 HydrophobicContact CD2-CE2 3.59Å; F1037-Y1086 HydrophobicContact CD2-CG 4.48Å; F1037-Y1086 AromaticContact CD2-CZ 3.67Å; F1037-Y1086 AromaticContact CE1-CD2 3.84Å; F1037-Y1086 HydrophobicContact CE1-CD2 3.84Å; F1037-Y1086 HydrophobicContact CE1-CE2 4.33Å; F1037-Y1086 HydrophobicContact CE1-CG 4.25Å; F1037-Y1086 HydrophobicContact CE2-CD2 4.25Å; F1037-Y1086 AromaticContact CE2-CE2 3.89Å; F1037-Y1086 HydrophobicContact CE2-CE2 3.89Å; F1037-Y1086 AromaticContact CG-CD1 3.81Å; F1037-Y1086 HydrophobicContact CG-CD1 3.81Å; F1037-Y1086 AromaticContact CG-CD2 3.68Å; F1037-Y1086 HydrophobicContact CG-CD2 3.68Å; F1037-Y1086 AromaticContact CG-CE1 3.79Å; F1037-Y1086 HydrophobicContact CG-CE1 3.79Å; F1037-Y1086 AromaticContact CG-CE2 3.69Å; F1037-Y1086 HydrophobicContact CG-CE2 3.69Å; F1037-Y1086 AromaticContact CG-CG 3.74Å; F1037-Y1086 HydrophobicContact CG-CG 3.74Å; F1037-Y1086 AromaticContact CG-CZ 3.72Å; F1037-Y1086 HydrophobicContact CZ-CD2 4.17Å; F1037-Y1086 HydrophobicContact CZ-CE2 4.25Å; Y1041-Y1086 HydrophobicContact CE2-CD1 4.48Å; Y1041-Y1086 HydrophobicContact CE2-CE1 4.22Å; E1080-Y1086 VanDerWaalsContact OE1-CD1 3.23Å; E1080-Y1086 WeakPolarHBondContact OE1-CD1 3.35Å; E1080-Y1086 WeakPolarHBondContact OE1-CE1 3.31Å; Y1086-K1089 WeakPolarHBondContact O-CB 3.44Å | ||
| 1087 | P | 88.2 | Confident | 89.9 | Confident | 2 Ų | 2 | 41.8 Ų | 41.8 | 1% | 0.013 | 24% | 0.24 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -67 | 150.8 | 165.5 | 22 | -20.7 | 0 | 0 | 0 | 110.9 | C1040 T1076 Y1079 K1089 P1106 W1124 | C1040-P1087 HydrophobicContact CB-CG 4Å; T1076-P1087 HydrophobicContact CG2-CG 3.87Å; Y1079-P1087 HydrophobicContact CD1-CB 3.84Å; Y1079-P1087 HydrophobicContact CD1-CG 3.82Å; Y1079-P1087 HydrophobicContact CD2-CB 4.44Å; Y1079-P1087 HydrophobicContact CE1-CB 3.74Å; Y1079-P1087 HydrophobicContact CE1-CG 4.17Å; Y1079-P1087 HydrophobicContact CE2-CB 4.32Å; Y1079-P1087 HydrophobicContact CG-CB 4.21Å; Y1079-P1087 HydrophobicContact CG-CG 4.21Å; P1087-K1089 PolarHBondContact O-N 3.27Å; P1087-K1089 VanDerWaalsContact O-N 3.16Å; P1087-P1106 HydrophobicContact CB-CB 4.11Å; P1087-P1106 HydrophobicContact CB-CG 3.75Å; P1087-W1124 HydrophobicContact CB-CH2 4.01Å; P1087-W1124 HydrophobicContact CB-CZ2 4.36Å; P1087-W1124 HydrophobicContact CG-CH2 4.15Å; P1087-W1124 HydrophobicContact CG-CZ2 4.04Å |
| 1088 | F | 86.7 | Confident | 89.6 | Confident | 27 Ų | 27 | 48.7 Ų | 48.7 | 12% | 0.118 | 27% | 0.268 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 58.6 | 17.5 | -175.5 | -47.6 | -79.2 | 0 | 0 | 0 | 115.9 | C1040 G1090 L1091 I1096 L1099 V1100 P1106 | C1040-F1088 HydrophobicContact CB-CD2 4.21Å; F1088-G1090 PolarHBondContact O-N 2.92Å; F1088-L1091 HydrophobicContact CB-CD1 4.23Å; F1088-L1091 HydrophobicContact CD1-CD1 4.23Å; F1088-L1091 WeakPolarHBondContact O-CB 3.45Å; F1088-L1091 PolarHBondContact O-N 3.47Å; F1088-L1091 VanDerWaalsContact O-N 3.07Å; F1088-I1096 HydrophobicContact CB-CD1 4.11Å; F1088-I1096 HydrophobicContact CB-CG1 3.84Å; F1088-I1096 HydrophobicContact CD2-CG2 4.41Å; F1088-I1096 HydrophobicContact CG-CG1 4.45Å; F1088-L1099 HydrophobicContact CD1-CD1 4.15Å; F1088-L1099 HydrophobicContact CE1-CB 4.23Å; F1088-L1099 HydrophobicContact CE1-CD1 4.26Å; F1088-V1100 HydrophobicContact CD2-CG2 4.36Å; F1088-V1100 HydrophobicContact CE2-CG2 3.61Å; F1088-V1100 HydrophobicContact CZ-CG2 3.83Å; F1088-P1106 HydrophobicContact CD1-CB 4.32Å; F1088-P1106 HydrophobicContact CE1-CB 4.12Å; F1088-P1106 HydrophobicContact CE2-CG 4.37Å; F1088-P1106 HydrophobicContact CZ-CB 4.24Å; F1088-P1106 HydrophobicContact CZ-CG 4.27Å |
| 1089 | K | 84.8 | Confident | 89.5 | Confident | 117 Ų | 117 | 50.7 Ų | 50.7 | 51% | 0.509 | 28% | 0.278 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -48.9 | 124.6 | 176.8 | 178.5 | -174.1 | 171.9 | -172.2 | 0 | 112.1 | E1085 Y1086 P1087 | E1085-K1089 HydrophobicContact CB-CD 4.42Å; E1085-K1089 IonicContact OE1-NZ 3.63Å; E1085-K1089 PolarHBondContact OE1-NZ 3.26Å; E1085-K1089 WeakPolarHBondContact OE2-CD 3.24Å; E1085-K1089 IonicContact OE2-NZ 2.7Å; E1085-K1089 PolarHBondContact OE2-NZ 2.8Å; Y1086-K1089 WeakPolarHBondContact O-CB 3.44Å; P1087-K1089 PolarHBondContact O-N 3.27Å; P1087-K1089 VanDerWaalsContact O-N 3.16Å |
| 1090 | G | 84.8 | Confident | 89.3 | Confident | 75 Ų | 75 | 49.5 Ų | 49.5 | 77% | 0.773 | 27% | 0.274 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 95.7 | -7.7 | 179.3 | 0 | 0 | 0 | 0 | 0 | 115 | F1088 | F1088-G1090 PolarHBondContact O-N 2.92Š|
| 1091 | L | 88.3 | Confident | 89.2 | Confident | 80 Ų | 80 | 49.6 Ų | 49.6 | 42% | 0.419 | 28% | 0.275 | S | S | . | . | trans | -87.7 | 148.4 | 171.6 | -57.9 | -174.1 | 0 | 0 | 0 | 111.4 | F1088 A1095 I1096 L1099 | F1088-L1091 HydrophobicContact CB-CD1 4.23Å; F1088-L1091 HydrophobicContact CD1-CD1 4.23Å; F1088-L1091 WeakPolarHBondContact O-CB 3.45Å; F1088-L1091 PolarHBondContact O-N 3.47Å; F1088-L1091 VanDerWaalsContact O-N 3.07Å; L1091-A1095 HydrophobicContact CB-CB 4.38Å; L1091-I1096 HydrophobicContact CB-CD1 4.49Å; L1091-I1096 HydrophobicContact CB-CG1 4.03Å; L1091-L1099 HydrophobicContact CD1-CD1 3.55Å | ||
| 1092 | P | 89.1 | Confident | 89.1 | Confident | 77 Ų | 77 | 54.8 Ų | 54.8 | 50% | 0.5 | 30% | 0.299 | S | S | . | . | trans | -76.4 | 167.8 | 175.6 | 35.7 | -38.8 | 0 | 0 | 0 | 111.9 | E1094 A1095 I1096 | P1092-E1094 VanDerWaalsContact C-N 3.32Å; P1092-E1094 WeakPolarHBondContact CB-OE2 3.31Å; P1092-E1094 PolarHBondContact O-N 3.37Å; P1092-A1095 HydrophobicContact CG-CB 3.86Å; P1092-A1095 PolarHBondContact O-N 2.81Å; P1092-I1096 WeakPolarHBondContact O-CG1 3.25Å; P1092-I1096 PolarHBondContact O-N 2.93Å; P1092-I1096 VanDerWaalsContact O-N 3.07Å | ||
| 1093 | A | 88 | Confident | 88.9 | Confident | 33 Ų | 33 | 54.1 Ų | 54.1 | 27% | 0.273 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -63.9 | -36.4 | -169.1 | 0 | 0 | 0 | 0 | 0 | 112.9 | L1039 I1096 T1097 | L1039-A1093 HydrophobicContact CD1-CB 3.85Å; L1039-A1093 VanDerWaalsContact CD1-O 3.32Å; L1039-A1093 WeakPolarHBondContact CD1-O 3.48Å; A1093-I1096 PolarHBondContact O-N 3.39Å; A1093-T1097 WeakPolarHBondContact O-CB 3.4Å; A1093-T1097 PolarHBondContact O-N 3.28Å; A1093-T1097 PolarHBondContact O-OG1 2.9Å |
| 1094 | E | 88.8 | Confident | 88.9 | Confident | 117 Ų | 117 | 55.5 Ų | 55.5 | 55% | 0.547 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -67.7 | -43.1 | -179.6 | -51.5 | 68.9 | -147.9 | 0 | 0 | 110 | P1092 T1097 Y1098 | P1092-E1094 VanDerWaalsContact C-N 3.32Å; P1092-E1094 WeakPolarHBondContact CB-OE2 3.31Å; P1092-E1094 PolarHBondContact O-N 3.37Å; E1094-T1097 WeakPolarHBondContact O-CB 3.42Å; E1094-T1097 PolarHBondContact O-N 3.07Å; E1094-Y1098 WeakPolarHBondContact O-CB 3.27Å; E1094-Y1098 PolarHBondContact O-N 3.15Å |
| 1095 | A | 91.1 | Very high | 88.7 | Confident | 32 Ų | 32 | 56.6 Ų | 56.6 | 26% | 0.264 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -66.1 | -40.3 | 175.6 | 0 | 0 | 0 | 0 | 0 | 111.9 | L1091 P1092 Y1098 L1099 | L1091-A1095 HydrophobicContact CB-CB 4.38Å; P1092-A1095 HydrophobicContact CG-CB 3.86Å; P1092-A1095 PolarHBondContact O-N 2.81Å; A1095-Y1098 PolarHBondContact O-N 2.86Å; A1095-L1099 WeakPolarHBondContact O-CB 3.22Å; A1095-L1099 WeakPolarHBondContact O-CD1 3.34Å; A1095-L1099 WeakPolarHBondContact O-CG 3.38Å; A1095-L1099 PolarHBondContact O-N 2.68Å |
| 1096 | I | 90.6 | Very high | 88.2 | Confident | 16 Ų | 16 | 53.1 Ų | 53.1 | 8% | 0.082 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -64.3 | -43.3 | 173.8 | -62.9 | 171.1 | 0 | 0 | 0 | 110.2 | L1039 F1088 L1091 P1092 A1093 L1099 V1100 | L1039-I1096 HydrophobicContact CB-CG2 3.74Å; L1039-I1096 HydrophobicContact CD1-CB 4.43Å; L1039-I1096 HydrophobicContact CD1-CG2 4.46Å; F1088-I1096 HydrophobicContact CB-CD1 4.11Å; F1088-I1096 HydrophobicContact CB-CG1 3.84Å; F1088-I1096 HydrophobicContact CD2-CG2 4.41Å; F1088-I1096 HydrophobicContact CG-CG1 4.45Å; L1091-I1096 HydrophobicContact CB-CD1 4.49Å; L1091-I1096 HydrophobicContact CB-CG1 4.03Å; P1092-I1096 WeakPolarHBondContact O-CG1 3.25Å; P1092-I1096 PolarHBondContact O-N 2.93Å; P1092-I1096 VanDerWaalsContact O-N 3.07Å; A1093-I1096 PolarHBondContact O-N 3.39Å; I1096-L1099 PolarHBondContact O-N 3.17Å; I1096-V1100 HydrophobicContact CG2-CG2 4.04Å; I1096-V1100 WeakPolarHBondContact O-CB 3.45Å; I1096-V1100 VanDerWaalsContact O-CG2 3.31Å; I1096-V1100 WeakPolarHBondContact O-CG2 3.26Å; I1096-V1100 PolarHBondContact O-N 3.22Å |
| 1097 | T | 89.9 | Confident | 87.5 | Confident | 48 Ų | 48 | 57.4 Ų | 57.4 | 29% | 0.294 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -58.6 | -48.7 | 176.5 | -58.1 | 0 | 0 | 0 | 0 | 110.9 | L1039 I1047 A1093 E1094 G1101 | L1039-T1097 WeakPolarHBondContact CD1-OG1 3.48Å; I1047-T1097 HydrophobicContact CG2-CG2 3.85Å; I1047-T1097 WeakPolarHBondContact CG2-O 3.49Å; A1093-T1097 WeakPolarHBondContact O-CB 3.4Å; A1093-T1097 PolarHBondContact O-N 3.28Å; A1093-T1097 PolarHBondContact O-OG1 2.9Å; E1094-T1097 WeakPolarHBondContact O-CB 3.42Å; E1094-T1097 PolarHBondContact O-N 3.07Å; T1097-G1101 WeakPolarHBondContact O-CA 3.41Å; T1097-G1101 PolarHBondContact O-N 3.38Å |
| 1098 | Y | 90.9 | Very high | 86.8 | Confident | 145 Ų | 145 | 59.5 Ų | 59.5 | 57% | 0.569 | 33% | 0.329 | S | S | * | . | H | α-helix | trans | -61.9 | -50.2 | 176.9 | -179.2 | -91.1 | 0 | 0 | 0 | 112.3 | E1094 A1095 G1101 H1102 | E1094-Y1098 WeakPolarHBondContact O-CB 3.27Å; E1094-Y1098 PolarHBondContact O-N 3.15Å; A1095-Y1098 PolarHBondContact O-N 2.86Å; Y1098-G1101 PolarHBondContact O-N 3.45Å; Y1098-H1102 AromaticContact CD2-CE1 3.54Å; Y1098-H1102 AromaticContact CD2-ND1 3.71Å; Y1098-H1102 AromaticContact CE1-ND1 3.98Å; Y1098-H1102 AromaticContact CE2-CE1 3.21Å; Y1098-H1102 WeakPolarHBondContact CE2-CE1 3.39Å; Y1098-H1102 AromaticContact CE2-ND1 3.62Å; Y1098-H1102 AromaticContact CE2-NE2 3.97Å; Y1098-H1102 AromaticContact CG-ND1 3.94Å; Y1098-H1102 AromaticContact CZ-CE1 3.66Å; Y1098-H1102 AromaticContact CZ-ND1 3.74Å; Y1098-H1102 PolarHBondContact O-N 3.25Å; Y1098-H1102 PolarHBondContact O-ND1 3.5Å |
| 1099 | L | 92.8 | Very high | 86.1 | Confident | 43 Ų | 43 | 68.1 Ų | 68.1 | 23% | 0.225 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -64.6 | -47.5 | -176.6 | -71.7 | 169.1 | 0 | 0 | 0 | 112.2 | F1088 L1091 A1095 I1096 H1102 G1103 V1104 | F1088-L1099 HydrophobicContact CD1-CD1 4.15Å; F1088-L1099 HydrophobicContact CE1-CB 4.23Å; F1088-L1099 HydrophobicContact CE1-CD1 4.26Å; L1091-L1099 HydrophobicContact CD1-CD1 3.55Å; A1095-L1099 WeakPolarHBondContact O-CB 3.22Å; A1095-L1099 WeakPolarHBondContact O-CD1 3.34Å; A1095-L1099 WeakPolarHBondContact O-CG 3.38Å; A1095-L1099 PolarHBondContact O-N 2.68Å; I1096-L1099 PolarHBondContact O-N 3.17Å; L1099-H1102 PolarHBondContact O-N 3.21Å; L1099-G1103 PolarHBondContact O-N 2.73Å; L1099-V1104 HydrophobicContact CB-CB 4.27Å; L1099-V1104 HydrophobicContact CD2-CB 4.05Å; L1099-V1104 HydrophobicContact CD2-CG1 3.99Å; L1099-V1104 HydrophobicContact CD2-CG2 4.19Å; L1099-V1104 VanDerWaalsContact O-CB 3.29Å; L1099-V1104 WeakPolarHBondContact O-CB 3.34Å; L1099-V1104 PolarHBondContact O-N 3.25Å |
| 1100 | V | 91.5 | Very high | 85.7 | Confident | 3 Ų | 3 | 63.5 Ų | 63.5 | 2% | 0.018 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -70.2 | -37.8 | 179.2 | -178.8 | 0 | 0 | 0 | 0 | 110.7 | I1042 P1044 I1047 F1072 F1088 I1096 H1102 G1103 | I1042-V1100 WeakPolarHBondContact O-CG1 3.28Å; P1044-V1100 WeakPolarHBondContact CB-O 3.21Å; P1044-V1100 HydrophobicContact CG-CG1 4.19Å; P1044-V1100 WeakPolarHBondContact CG-O 3.04Å; I1047-V1100 HydrophobicContact CG1-CB 4.24Å; I1047-V1100 HydrophobicContact CG1-CG1 3.86Å; F1072-V1100 HydrophobicContact CZ-CG1 4.07Å; F1088-V1100 HydrophobicContact CD2-CG2 4.36Å; F1088-V1100 HydrophobicContact CE2-CG2 3.61Å; F1088-V1100 HydrophobicContact CZ-CG2 3.83Å; I1096-V1100 HydrophobicContact CG2-CG2 4.04Å; I1096-V1100 WeakPolarHBondContact O-CB 3.45Å; I1096-V1100 VanDerWaalsContact O-CG2 3.31Å; I1096-V1100 WeakPolarHBondContact O-CG2 3.26Å; I1096-V1100 PolarHBondContact O-N 3.22Å; V1100-H1102 VanDerWaalsContact C-N 3.34Å; V1100-H1102 PolarHBondContact O-N 3.38Å; V1100-G1103 WeakPolarHBondContact O-CA 3.13Å; V1100-G1103 PolarHBondContact O-N 2.77Å |
| 1101 | G | 90.5 | Very high | 85.4 | Confident | 2 Ų | 2 | 69.6 Ų | 69.6 | 2% | 0.021 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -55.7 | -45.4 | 172 | 0 | 0 | 0 | 0 | 0 | 112.4 | H1048 T1097 Y1098 G1103 Y1126 | H1048-G1101 PolarHBondContact CE1-O 3.01Å; H1048-G1101 WeakPolarHBondContact NE2-CA 3.42Å; H1048-G1101 PolarHBondContact NE2-O 3.09Å; T1097-G1101 WeakPolarHBondContact O-CA 3.41Å; T1097-G1101 PolarHBondContact O-N 3.38Å; Y1098-G1101 PolarHBondContact O-N 3.45Å; G1101-G1103 PolarHBondContact O-N 3.13Å; G1101-Y1126 VanDerWaalsContact O-CE2 3.25Å; G1101-Y1126 WeakPolarHBondContact O-CE2 3.48Å |
| 1102 | H | 91 | Very high | 85.1 | Confident | 113 Ų | 113 | 67 Ų | 67 | 52% | 0.523 | 34% | 0.338 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -79.3 | 8.9 | 174.8 | -65.7 | 81.9 | 0 | 0 | 0 | 114 | Y1098 L1099 V1100 V1104 | Y1098-H1102 AromaticContact CD2-CE1 3.54Å; Y1098-H1102 AromaticContact CD2-ND1 3.71Å; Y1098-H1102 AromaticContact CE1-ND1 3.98Å; Y1098-H1102 AromaticContact CE2-CE1 3.21Å; Y1098-H1102 WeakPolarHBondContact CE2-CE1 3.39Å; Y1098-H1102 AromaticContact CE2-ND1 3.62Å; Y1098-H1102 AromaticContact CE2-NE2 3.97Å; Y1098-H1102 AromaticContact CG-ND1 3.94Å; Y1098-H1102 AromaticContact CZ-CE1 3.66Å; Y1098-H1102 AromaticContact CZ-ND1 3.74Å; Y1098-H1102 PolarHBondContact O-N 3.25Å; Y1098-H1102 PolarHBondContact O-ND1 3.5Å; L1099-H1102 PolarHBondContact O-N 3.21Å; V1100-H1102 VanDerWaalsContact C-N 3.34Å; V1100-H1102 PolarHBondContact O-N 3.38Å; H1102-V1104 HydrophobicContact CB-CG2 4.13Å; H1102-V1104 PolarHBondContact O-N 2.86Å |
| 1103 | G | 88.2 | Confident | 84.9 | Confident | 14 Ų | 14 | 66.5 Ų | 66.5 | 14% | 0.144 | 34% | 0.335 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 70.9 | 9.2 | 177.3 | 0 | 0 | 0 | 0 | 0 | 115.5 | L1099 V1100 G1101 K1105 | L1099-G1103 PolarHBondContact O-N 2.73Å; V1100-G1103 WeakPolarHBondContact O-CA 3.13Å; V1100-G1103 PolarHBondContact O-N 2.77Å; G1101-G1103 PolarHBondContact O-N 3.13Å; G1103-K1105 PolarHBondContact O-NZ 2.66Å |
| 1104 | V | 89.2 | Confident | 84.9 | Confident | 69 Ų | 69 | 72 Ų | 72 | 42% | 0.418 | 35% | 0.353 | S | S | . | . | P | Polyproline II helix | trans | -64.9 | 131.4 | 179.7 | -173.1 | 0 | 0 | 0 | 0 | 109.2 | L1099 H1102 | L1099-V1104 HydrophobicContact CB-CB 4.27Å; L1099-V1104 HydrophobicContact CD2-CB 4.05Å; L1099-V1104 HydrophobicContact CD2-CG1 3.99Å; L1099-V1104 HydrophobicContact CD2-CG2 4.19Å; L1099-V1104 VanDerWaalsContact O-CB 3.29Å; L1099-V1104 WeakPolarHBondContact O-CB 3.34Å; L1099-V1104 PolarHBondContact O-N 3.25Å; H1102-V1104 HydrophobicContact CB-CG2 4.13Å; H1102-V1104 PolarHBondContact O-N 2.86Å |
| 1105 | K | 84.4 | Confident | 84.9 | Confident | 72 Ų | 72 | 70 Ų | 70 | 31% | 0.313 | 35% | 0.346 | S | S | . | . | P | Polyproline II helix | trans | -98.5 | 147.2 | -177.9 | -73.9 | 157.1 | -177.5 | 59.1 | 0 | 110.5 | G1103 W1124 | G1103-K1105 PolarHBondContact O-NZ 2.66Å; K1105-W1124 WeakPolarHBondContact CE-O 3.37Å; K1105-W1124 HydrophobicContact CG-CE3 4.39Å; K1105-W1124 PolarHBondContact NZ-O 3.15Å |
| 1106 | P | 78.6 | Confident | 84.9 | Confident | 14 Ų | 14 | 68.7 Ų | 68.7 | 9% | 0.091 | 33% | 0.334 | C | S | . | . | P | Polyproline II helix | trans | -64.3 | 156.6 | 172.2 | 32 | -36 | 0 | 0 | 0 | 109.8 | Y1079 P1087 F1088 L1108 W1124 | Y1079-P1106 HydrophobicContact CD2-CG 4.46Å; Y1079-P1106 HydrophobicContact CE2-CG 4.07Å; P1087-P1106 HydrophobicContact CB-CB 4.11Å; P1087-P1106 HydrophobicContact CB-CG 3.75Å; F1088-P1106 HydrophobicContact CD1-CB 4.32Å; F1088-P1106 HydrophobicContact CE1-CB 4.12Å; F1088-P1106 HydrophobicContact CE2-CG 4.37Å; F1088-P1106 HydrophobicContact CZ-CB 4.24Å; F1088-P1106 HydrophobicContact CZ-CG 4.27Å; P1106-L1108 WeakPolarHBondContact O-CD2 3.49Å; P1106-L1108 WeakPolarHBondContact O-CG 3.37Å; P1106-L1108 PolarHBondContact O-N 3.25Å; P1106-W1124 VanDerWaalsContact CD-CZ3 3.49Å; P1106-W1124 HydrophobicContact CG-CE3 4.39Å; P1106-W1124 HydrophobicContact CG-CH2 3.43Å; P1106-W1124 VanDerWaalsContact CG-CH2 3.43Å; P1106-W1124 HydrophobicContact CG-CZ3 3.35Å |
| 1107 | N | 71.3 | Confident | 84.9 | Confident | 106 Ų | 106 | 70.5 Ų | 70.5 | 57% | 0.567 | 34% | 0.341 | S | S | * | . | trans | -63.8 | 107.3 | -168.6 | -170.5 | -16.8 | 0 | 0 | 0 | 112.5 | R1109 | N1107-R1109 PolarHBondContact O-N 2.98Å; N1107-R1109 WeakPolarHBondContact OD1-CD 3.46Å; N1107-R1109 WeakPolarHBondContact OD1-CG 3.32Å; N1107-R1109 PolarHBondContact OD1-N 3.05Å | ||
| 1108 | L | 72 | Confident | 85 | Confident | 46 Ų | 46 | 72.2 Ų | 72.2 | 24% | 0.241 | 35% | 0.346 | C | S | . | . | trans | -74 | 29 | -174.3 | -57.2 | -177.3 | 0 | 0 | 0 | 114.8 | P1106 I1110 K1117 L1120 V1121 W1124 | P1106-L1108 WeakPolarHBondContact O-CD2 3.49Å; P1106-L1108 WeakPolarHBondContact O-CG 3.37Å; P1106-L1108 PolarHBondContact O-N 3.25Å; L1108-I1110 PolarHBondContact O-N 2.79Å; L1108-I1110 VanDerWaalsContact O-N 3.1Å; L1108-K1117 PolarHBondContact O-NZ 3.33Å; L1108-L1120 HydrophobicContact CD2-CD2 3.72Å; L1108-V1121 HydrophobicContact CD1-CG2 3.61Å; L1108-W1124 HydrophobicContact CD2-CZ3 4.26Å | ||
| 1109 | R | 71.9 | Confident | 85.2 | Confident | 208 Ų | 208 | 65.6 Ų | 65.6 | 79% | 0.785 | 32% | 0.32 | S | S | * | . | trans | -71.8 | 13.3 | 172.1 | -79.4 | 174.4 | -171 | -171.5 | 1.5 | 114.3 | N1107 | N1107-R1109 PolarHBondContact O-N 2.98Å; N1107-R1109 WeakPolarHBondContact OD1-CD 3.46Å; N1107-R1109 WeakPolarHBondContact OD1-CG 3.32Å; N1107-R1109 PolarHBondContact OD1-N 3.05Å | ||
| 1110 | I | 77.9 | Confident | 85.3 | Confident | 21 Ų | 21 | 63.5 Ų | 63.5 | 11% | 0.108 | 31% | 0.31 | C | S | . | . | trans | -51.3 | 136.2 | 170.5 | -47.9 | 171.4 | 0 | 0 | 0 | 110.1 | Y1079 T1083 L1108 C1112 K1117 L1120 | Y1079-I1110 HydrophobicContact CD2-CD1 3.88Å; Y1079-I1110 HydrophobicContact CE2-CD1 3.84Å; Y1079-I1110 HydrophobicContact CE2-CG1 4.44Å; T1083-I1110 HydrophobicContact CG2-CD1 3.76Å; T1083-I1110 HydrophobicContact CG2-CG1 3.8Å; T1083-I1110 HydrophobicContact CG2-CG2 3.98Å; L1108-I1110 PolarHBondContact O-N 2.79Å; L1108-I1110 VanDerWaalsContact O-N 3.1Å; I1110-C1112 VanDerWaalsContact C-N 3.26Å; I1110-C1112 HydrophobicContact CG2-CB 4.14Å; I1110-C1112 VanDerWaalsContact CG2-SG 3.59Å; I1110-C1112 PolarHBondContact O-N 3.13Å; I1110-K1117 WeakPolarHBondContact O-CE 3.35Å; I1110-K1117 PolarHBondContact O-NZ 2.86Å; I1110-L1120 HydrophobicContact CD1-CD2 4.12Å | ||
| 1111 | Q | 78.3 | Confident | 85.4 | Confident | 203 Ų | 203 | 66.5 Ų | 66.5 | 95% | 0.949 | 33% | 0.328 | S | S | * | . | S | Bend | trans | -83 | 64.6 | 176.5 | -64.4 | -172.4 | 7.9 | 0 | 0 | 111.7 | ||
| 1112 | C | 81.8 | Confident | 85.6 | Confident | 24 Ų | 24 | 69.2 Ų | 69.2 | 16% | 0.162 | 34% | 0.34 | C | S | . | . | S | Bend | trans | -129.7 | 156.7 | 177.1 | 62.1 | 0 | 0 | 0 | 0 | 112.3 | I1110 F1116 K1117 | I1110-C1112 VanDerWaalsContact C-N 3.26Å; I1110-C1112 HydrophobicContact CG2-CB 4.14Å; I1110-C1112 VanDerWaalsContact CG2-SG 3.59Å; I1110-C1112 PolarHBondContact O-N 3.13Å; C1112-F1116 HydrophobicContact CB-CB 4.24Å; C1112-K1117 WeakPolarHBondContact O-CE 3.21Å; C1112-K1117 WeakPolarHBondContact SG-CE 3.29Å; C1112-K1117 WeakPolarHBondContact SG-CG 3.13Å |
| 1113 | P | 84.8 | Confident | 85.9 | Confident | 68 Ų | 68 | 63.8 Ų | 63.8 | 44% | 0.442 | 32% | 0.315 | S | S | . | . | trans | -62 | 156.5 | 179 | -18.8 | 30.8 | 0 | 0 | 0 | 112.7 | D1115 F1116 | P1113-D1115 VanDerWaalsContact C-N 3.29Å; P1113-D1115 PolarHBondContact O-N 2.89Å; P1113-F1116 HydrophobicContact CB-CD2 3.76Å; P1113-F1116 HydrophobicContact CB-CE2 4.01Å; P1113-F1116 HydrophobicContact CG-CD2 3.8Å; P1113-F1116 HydrophobicContact CG-CE2 3.72Å; P1113-F1116 WeakPolarHBondContact O-CB 3.34Å; P1113-F1116 PolarHBondContact O-N 2.9Å; P1113-F1116 VanDerWaalsContact O-N 3.11Å | ||
| 1114 | K | 86.8 | Confident | 86.3 | Confident | 148 Ų | 148 | 63.5 Ų | 63.5 | 64% | 0.643 | 31% | 0.309 | S | S | * | . | H | α-helix | trans | -49.7 | -48.4 | -174.2 | -171.4 | -169.8 | 178.6 | -108.2 | 0 | 112.4 | F1116 K1117 E1118 | K1114-F1116 PolarHBondContact O-N 2.91Å; K1114-K1117 CarbonylContact O-C 3.59Å; K1114-K1117 WeakPolarHBondContact O-CA 3.34Å; K1114-K1117 WeakPolarHBondContact O-CB 3.49Å; K1114-K1117 PolarHBondContact O-N 2.96Å; K1114-E1118 IonicContact NZ-OE2 3.67Å; K1114-E1118 PolarHBondContact NZ-OE2 3.33Å; K1114-E1118 PolarHBondContact O-N 3.29Å |
| 1115 | D | 88.8 | Confident | 86.6 | Confident | 76 Ų | 76 | 60.9 Ų | 60.9 | 41% | 0.406 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -56.4 | -35.1 | -175.1 | -36 | -20.7 | 0 | 0 | 0 | 112.6 | P1113 E1118 I1119 L1144 | P1113-D1115 VanDerWaalsContact C-N 3.29Å; P1113-D1115 PolarHBondContact O-N 2.89Å; D1115-E1118 PolarHBondContact O-N 2.97Å; D1115-I1119 PolarHBondContact O-N 3.04Å; D1115-L1144 HydrophobicContact CB-CD2 3.64Å |
| 1116 | F | 91.9 | Very high | 87.1 | Confident | 4 Ų | 4 | 63.2 Ų | 63.2 | 2% | 0.018 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -70.8 | -37.8 | 179.1 | -66.7 | -112.7 | 0 | 0 | 0 | 111.1 | I969 I973 W1078 L1082 C1112 P1113 K1114 L1120 L1144 P1145 | I969-F1116 HydrophobicContact CD1-CD1 4.14Å; I969-F1116 HydrophobicContact CD1-CE1 3.62Å; I969-F1116 HydrophobicContact CD1-CZ 4.46Å; I969-F1116 HydrophobicContact CG1-CE1 3.59Å; I969-F1116 HydrophobicContact CG1-CZ 3.99Å; I973-F1116 HydrophobicContact CD1-CE1 3.91Å; I973-F1116 HydrophobicContact CD1-CZ 3.9Å; I973-F1116 HydrophobicContact CG1-CE1 3.97Å; I973-F1116 HydrophobicContact CG1-CZ 4.45Å; W1078-F1116 AromaticContact CH2-CD1 3.77Å; W1078-F1116 HydrophobicContact CH2-CD1 3.77Å; W1078-F1116 HydrophobicContact CH2-CE1 4.13Å; W1078-F1116 HydrophobicContact CZ2-CB 4.18Å; W1078-F1116 AromaticContact CZ2-CD1 3.51Å; W1078-F1116 HydrophobicContact CZ2-CD1 3.51Å; W1078-F1116 HydrophobicContact CZ2-CE1 4.3Å; W1078-F1116 HydrophobicContact CZ2-CG 4.19Å; W1078-F1116 PolarHBondContact NE1-O 2.85Å; L1082-F1116 HydrophobicContact CD1-CB 4.25Å; L1082-F1116 HydrophobicContact CD2-CD1 3.92Å; C1112-F1116 HydrophobicContact CB-CB 4.24Å; P1113-F1116 HydrophobicContact CB-CD2 3.76Å; P1113-F1116 HydrophobicContact CB-CE2 4.01Å; P1113-F1116 HydrophobicContact CG-CD2 3.8Å; P1113-F1116 HydrophobicContact CG-CE2 3.72Å; P1113-F1116 WeakPolarHBondContact O-CB 3.34Å; P1113-F1116 PolarHBondContact O-N 2.9Å; P1113-F1116 VanDerWaalsContact O-N 3.11Å; K1114-F1116 PolarHBondContact O-N 2.91Å; F1116-L1120 PolarHBondContact O-N 2.97Å; F1116-L1144 HydrophobicContact CD1-CD1 4.05Å; F1116-L1144 HydrophobicContact CD2-CD2 3.92Å; F1116-L1144 HydrophobicContact CE1-CD1 3.89Å; F1116-L1144 HydrophobicContact CE2-CB 4.43Å; F1116-L1144 HydrophobicContact CE2-CD2 3.97Å; F1116-L1144 HydrophobicContact CG-CD1 4.45Å; F1116-L1144 HydrophobicContact CG-CD2 4.29Å; F1116-L1144 HydrophobicContact CZ-CB 4.2Å; F1116-L1144 HydrophobicContact CZ-CD1 4.16Å; F1116-L1144 HydrophobicContact CZ-CD2 4.37Å; F1116-L1144 HydrophobicContact CZ-CG 4.49Å; F1116-P1145 HydrophobicContact CE2-CG 4.04Å |
| 1117 | K | 90.9 | Very high | 87.9 | Confident | 53 Ų | 53 | 66.2 Ų | 66.2 | 23% | 0.23 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -72 | -32.7 | 173.1 | -55.2 | -171.6 | -177.4 | -167.8 | 0 | 111.6 | L1108 I1110 C1112 K1114 L1120 V1121 | L1108-K1117 PolarHBondContact O-NZ 3.33Å; I1110-K1117 WeakPolarHBondContact O-CE 3.35Å; I1110-K1117 PolarHBondContact O-NZ 2.86Å; C1112-K1117 WeakPolarHBondContact O-CE 3.21Å; C1112-K1117 WeakPolarHBondContact SG-CE 3.29Å; C1112-K1117 WeakPolarHBondContact SG-CG 3.13Å; K1114-K1117 CarbonylContact O-C 3.59Å; K1114-K1117 WeakPolarHBondContact O-CA 3.34Å; K1114-K1117 WeakPolarHBondContact O-CB 3.49Å; K1114-K1117 PolarHBondContact O-N 2.96Å; K1117-L1120 WeakPolarHBondContact O-CB 3.29Å; K1117-L1120 PolarHBondContact O-N 2.92Å; K1117-V1121 WeakPolarHBondContact O-CG2 3.35Å; K1117-V1121 PolarHBondContact O-N 2.91Å |
| 1118 | E | 92.2 | Very high | 89.1 | Confident | 85 Ų | 85 | 63 Ų | 63 | 40% | 0.397 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -65.9 | -43.8 | 179.8 | -154.8 | 170.7 | 124.1 | 0 | 0 | 111.2 | K1114 D1115 L1120 V1121 Q1122 | K1114-E1118 IonicContact NZ-OE2 3.67Å; K1114-E1118 PolarHBondContact NZ-OE2 3.33Å; K1114-E1118 PolarHBondContact O-N 3.29Å; D1115-E1118 PolarHBondContact O-N 2.97Å; E1118-L1120 VanDerWaalsContact C-N 3.33Å; E1118-L1120 PolarHBondContact O-N 3.4Å; E1118-V1121 PolarHBondContact O-N 2.85Å; E1118-Q1122 VanDerWaalsContact O-CG 3.3Å; E1118-Q1122 WeakPolarHBondContact O-CG 3.42Å; E1118-Q1122 PolarHBondContact O-N 2.88Å |
| 1119 | I | 94.8 | Very high | 90.3 | Very high | 5 Ų | 5 | 65.3 Ų | 65.3 | 3% | 0.026 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -56.6 | -46.2 | 170.3 | -67.2 | 172 | 0 | 0 | 0 | 111 | D1115 V1121 Q1122 C1123 L1137 L1140 L1141 L1144 | D1115-I1119 PolarHBondContact O-N 3.04Å; I1119-V1121 PolarHBondContact O-N 3.1Å; I1119-Q1122 PolarHBondContact O-N 3.27Å; I1119-C1123 PolarHBondContact O-N 3.49Å; I1119-C1123 PolarHBondContact O-SG 3.35Å; I1119-C1123 VanDerWaalsContact O-SG 3.32Å; I1119-L1137 HydrophobicContact CG2-CD2 3.96Å; I1119-L1140 HydrophobicContact CD1-CB 3.94Å; I1119-L1140 HydrophobicContact CG1-CB 4.04Å; I1119-L1140 HydrophobicContact CG1-CD1 4.46Å; I1119-L1141 HydrophobicContact CD1-CD2 4.01Å; I1119-L1141 HydrophobicContact CD1-CG 4.36Å; I1119-L1144 HydrophobicContact CD1-CD1 3.89Å; I1119-L1144 HydrophobicContact CD1-CD2 3.91Å; I1119-L1144 HydrophobicContact CD1-CG 4.04Å |
| 1120 | L | 94 | Very high | 91.5 | Very high | 0 Ų | 0 | 63 Ų | 63 | 0% | 0 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -62.2 | -43.6 | 179.5 | -178.5 | 62.1 | 0 | 0 | 0 | 112.6 | G1075 Y1079 L1108 I1110 F1116 K1117 E1118 Q1122 C1123 W1124 | G1075-L1120 WeakPolarHBondContact O-CD1 3.49Å; Y1079-L1120 HydrophobicContact CD2-CD2 4Å; L1108-L1120 HydrophobicContact CD2-CD2 3.72Å; I1110-L1120 HydrophobicContact CD1-CD2 4.12Å; F1116-L1120 PolarHBondContact O-N 2.97Å; K1117-L1120 WeakPolarHBondContact O-CB 3.29Å; K1117-L1120 PolarHBondContact O-N 2.92Å; E1118-L1120 VanDerWaalsContact C-N 3.33Å; E1118-L1120 PolarHBondContact O-N 3.4Å; L1120-Q1122 VanDerWaalsContact C-N 3.33Å; L1120-Q1122 PolarHBondContact O-N 3.14Å; L1120-C1123 PolarHBondContact O-N 3.31Å; L1120-W1124 HydrophobicContact CD1-CD2 3.75Å; L1120-W1124 HydrophobicContact CD1-CE3 3.63Å; L1120-W1124 HydrophobicContact CD1-CH2 3.91Å; L1120-W1124 HydrophobicContact CD1-CZ2 4.01Å; L1120-W1124 HydrophobicContact CD1-CZ3 3.7Å; L1120-W1124 HydrophobicContact CD2-CE3 4.22Å; L1120-W1124 HydrophobicContact CD2-CH2 4.42Å; L1120-W1124 HydrophobicContact CD2-CZ3 3.82Å; L1120-W1124 HydrophobicContact CG-CD2 4.28Å; L1120-W1124 HydrophobicContact CG-CE3 3.72Å; L1120-W1124 HydrophobicContact CG-CH2 4.47Å; L1120-W1124 HydrophobicContact CG-CZ3 3.82Å; L1120-W1124 WeakPolarHBondContact O-CB 3.43Å; L1120-W1124 PolarHBondContact O-N 3.29Å |
| 1121 | V | 93.4 | Very high | 92.4 | Very high | 66 Ų | 66 | 62.6 Ų | 62.6 | 40% | 0.4 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -65.3 | -35.7 | 177.1 | 168.9 | 0 | 0 | 0 | 0 | 111.6 | L1108 K1117 E1118 I1119 W1124 A1125 | L1108-V1121 HydrophobicContact CD1-CG2 3.61Å; K1117-V1121 WeakPolarHBondContact O-CG2 3.35Å; K1117-V1121 PolarHBondContact O-N 2.91Å; E1118-V1121 PolarHBondContact O-N 2.85Å; I1119-V1121 PolarHBondContact O-N 3.1Å; V1121-W1124 CarbonylContact O-C 3.54Å; V1121-A1125 PolarHBondContact O-N 3.41Å; V1121-A1125 VanDerWaalsContact O-N 3.16Å |
| 1122 | Q | 95.7 | Very high | 93.4 | Very high | 58 Ų | 58 | 53.7 Ų | 53.7 | 27% | 0.271 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -68 | -45.4 | 174.2 | -72.2 | 177 | 29.4 | 0 | 0 | 112 | E1118 I1119 L1120 W1124 A1125 P1132 | E1118-Q1122 VanDerWaalsContact O-CG 3.3Å; E1118-Q1122 WeakPolarHBondContact O-CG 3.42Å; E1118-Q1122 PolarHBondContact O-N 2.88Å; I1119-Q1122 PolarHBondContact O-N 3.27Å; L1120-Q1122 VanDerWaalsContact C-N 3.33Å; L1120-Q1122 PolarHBondContact O-N 3.14Å; Q1122-W1124 VanDerWaalsContact C-N 3.34Å; Q1122-W1124 PolarHBondContact O-N 3.4Å; Q1122-A1125 WeakPolarHBondContact O-CB 3.46Å; Q1122-A1125 PolarHBondContact O-N 3.33Å; Q1122-P1132 HydrophobicContact CB-CG 4.07Å; Q1122-P1132 WeakPolarHBondContact O-CD 3.47Å |
| 1123 | C | 97.2 | Very high | 94.1 | Very high | 0 Ų | 0 | 58.6 Ų | 58.6 | 0% | 0 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -62 | -40.5 | 175.5 | -65.7 | 0 | 0 | 0 | 0 | 112.4 | V1071 G1075 I1119 L1120 A1125 R1131 | V1071-C1123 HydrophobicContact CG1-CB 4.41Å; G1075-C1123 VanDerWaalsContact CA-CB 3.44Å; I1119-C1123 PolarHBondContact O-N 3.49Å; I1119-C1123 PolarHBondContact O-SG 3.35Å; I1119-C1123 VanDerWaalsContact O-SG 3.32Å; L1120-C1123 PolarHBondContact O-N 3.31Å; C1123-A1125 VanDerWaalsContact C-N 3.29Å; C1123-A1125 PolarHBondContact O-N 2.91Å; C1123-R1131 VanDerWaalsContact O-CD 3.31Å; C1123-R1131 WeakPolarHBondContact O-CD 3.38Å |
| 1124 | W | 95.7 | Very high | 94.8 | Very high | 7 Ų | 7 | 55.5 Ų | 55.5 | 3% | 0.027 | 28% | 0.276 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -89.3 | 23.1 | 176.9 | -68.9 | -21.7 | 0 | 0 | 0 | 113.9 | F1072 T1076 Y1079 P1087 K1105 P1106 L1108 L1120 V1121 Q1122 Y1126 | F1072-W1124 HydrophobicContact CD2-CB 4.4Å; F1072-W1124 AromaticContact CD2-CD1 3.62Å; F1072-W1124 HydrophobicContact CD2-CG 4.35Å; F1072-W1124 AromaticContact CE1-CD1 3.86Å; F1072-W1124 AromaticContact CE1-NE1 3.91Å; F1072-W1124 HydrophobicContact CE2-CB 3.98Å; F1072-W1124 AromaticContact CE2-CD1 3.44Å; F1072-W1124 VanDerWaalsContact CE2-CD1 3.44Å; F1072-W1124 AromaticContact CE2-CG 3.93Å; F1072-W1124 HydrophobicContact CE2-CG 3.93Å; F1072-W1124 AromaticContact CG-CD1 3.89Å; F1072-W1124 AromaticContact CZ-CD1 3.57Å; F1072-W1124 HydrophobicContact CZ-CG 4.2Å; F1072-W1124 AromaticContact CZ-NE1 3.95Å; F1072-W1124 PolarHBondContact O-NE1 2.8Å; T1076-W1124 PolarHBondContact OG1-NE1 3.07Å; T1076-W1124 VanDerWaalsContact OG1-NE1 3.08Å; Y1079-W1124 AromaticContact CD2-CH2 3.42Å; Y1079-W1124 HydrophobicContact CD2-CH2 3.42Å; Y1079-W1124 VanDerWaalsContact CD2-CH2 3.42Å; Y1079-W1124 HydrophobicContact CD2-CZ2 4.44Å; Y1079-W1124 AromaticContact CD2-CZ3 3.91Å; Y1079-W1124 HydrophobicContact CD2-CZ3 3.91Å; Y1079-W1124 HydrophobicContact CE2-CH2 4.2Å; Y1079-W1124 AromaticContact CG-CH2 3.69Å; Y1079-W1124 HydrophobicContact CG-CH2 3.69Å; Y1079-W1124 HydrophobicContact CG-CZ2 4.33Å; P1087-W1124 HydrophobicContact CB-CH2 4.01Å; P1087-W1124 HydrophobicContact CB-CZ2 4.36Å; P1087-W1124 HydrophobicContact CG-CH2 4.15Å; P1087-W1124 HydrophobicContact CG-CZ2 4.04Å; K1105-W1124 WeakPolarHBondContact CE-O 3.37Å; K1105-W1124 HydrophobicContact CG-CE3 4.39Å; K1105-W1124 PolarHBondContact NZ-O 3.15Å; P1106-W1124 VanDerWaalsContact CD-CZ3 3.49Å; P1106-W1124 HydrophobicContact CG-CE3 4.39Å; P1106-W1124 HydrophobicContact CG-CH2 3.43Å; P1106-W1124 VanDerWaalsContact CG-CH2 3.43Å; P1106-W1124 HydrophobicContact CG-CZ3 3.35Å; L1108-W1124 HydrophobicContact CD2-CZ3 4.26Å; L1120-W1124 HydrophobicContact CD1-CD2 3.75Å; L1120-W1124 HydrophobicContact CD1-CE3 3.63Å; L1120-W1124 HydrophobicContact CD1-CH2 3.91Å; L1120-W1124 HydrophobicContact CD1-CZ2 4.01Å; L1120-W1124 HydrophobicContact CD1-CZ3 3.7Å; L1120-W1124 HydrophobicContact CD2-CE3 4.22Å; L1120-W1124 HydrophobicContact CD2-CH2 4.42Å; L1120-W1124 HydrophobicContact CD2-CZ3 3.82Å; L1120-W1124 HydrophobicContact CG-CD2 4.28Å; L1120-W1124 HydrophobicContact CG-CE3 3.72Å; L1120-W1124 HydrophobicContact CG-CH2 4.47Å; L1120-W1124 HydrophobicContact CG-CZ3 3.82Å; L1120-W1124 WeakPolarHBondContact O-CB 3.43Å; L1120-W1124 PolarHBondContact O-N 3.29Å; V1121-W1124 CarbonylContact O-C 3.54Å; Q1122-W1124 VanDerWaalsContact C-N 3.34Å; Q1122-W1124 PolarHBondContact O-N 3.4Å; W1124-Y1126 PolarHBondContact O-N 2.81Å |
| 1125 | A | 96.2 | Very high | 95.2 | Very high | 14 Ų | 14 | 51.8 Ų | 51.8 | 12% | 0.116 | 27% | 0.265 | C | S | . | . | trans | -60 | 132.7 | 172.1 | 0 | 0 | 0 | 0 | 0 | 110.2 | V1121 Q1122 C1123 K1130 R1131 | V1121-A1125 PolarHBondContact O-N 3.41Å; V1121-A1125 VanDerWaalsContact O-N 3.16Å; Q1122-A1125 WeakPolarHBondContact O-CB 3.46Å; Q1122-A1125 PolarHBondContact O-N 3.33Å; C1123-A1125 VanDerWaalsContact C-N 3.29Å; C1123-A1125 PolarHBondContact O-N 2.91Å; A1125-K1130 HydrophobicContact CB-CB 3.77Å; A1125-R1131 HydrophobicContact CB-CG 3.93Å; A1125-R1131 PolarHBondContact O-NE 2.99Å; A1125-R1131 PolarHBondContact O-NH2 3.13Å | ||
| 1126 | Y | 95.6 | Very high | 95.6 | Very high | 121 Ų | 121 | 50.9 Ų | 50.9 | 48% | 0.475 | 26% | 0.263 | S | S | . | . | S | Bend | trans | -60.7 | -58 | -172.9 | 178.7 | -115.5 | 0 | 0 | 0 | 111.3 | P1044 G1101 W1124 P1128 R1131 | P1044-Y1126 HydrophobicContact CB-CD2 3.77Å; P1044-Y1126 HydrophobicContact CB-CE2 3.56Å; P1044-Y1126 HydrophobicContact CG-CD2 3.82Å; P1044-Y1126 HydrophobicContact CG-CE2 4.13Å; G1101-Y1126 VanDerWaalsContact O-CE2 3.25Å; G1101-Y1126 WeakPolarHBondContact O-CE2 3.48Å; W1124-Y1126 PolarHBondContact O-N 2.81Å; Y1126-P1128 WeakPolarHBondContact O-CD 3.09Å; Y1126-R1131 PolarHBondContact O-NH2 3.3Å |
| 1127 | N | 95.6 | Very high | 95.9 | Very high | 77 Ų | 77 | 50.7 Ų | 50.7 | 41% | 0.412 | 26% | 0.262 | S | S | . | . | S | Bend | trans | -67.3 | 124 | 172.9 | -174.8 | -28.4 | 0 | 0 | 0 | 110.4 | S1129 K1130 | N1127-S1129 PolarHBondContact O-N 2.83Å; N1127-S1129 VanDerWaalsContact O-N 3.13Å; N1127-S1129 PolarHBondContact OD1-N 2.83Å; N1127-S1129 PolarHBondContact OD1-OG 3.08Å; N1127-K1130 HydrophobicContact CB-CG 4.4Å; N1127-K1130 PolarHBondContact O-N 3.17Å |
| 1128 | P | 96.3 | Very high | 96.2 | Very high | 38 Ų | 38 | 49.3 Ų | 49.3 | 25% | 0.247 | 26% | 0.258 | C | S | . | . | G | 310 helix | trans | -56 | -26.8 | -179.8 | -27.1 | 35.7 | 0 | 0 | 0 | 115.6 | E1045 S1068 Y1126 K1130 R1131 | E1045-P1128 HydrophobicContact CB-CG 4.19Å; E1045-P1128 HydrophobicContact CG-CG 3.86Å; S1068-P1128 WeakPolarHBondContact CB-O 3.36Å; S1068-P1128 PolarHBondContact OG-O 3.15Å; Y1126-P1128 WeakPolarHBondContact O-CD 3.09Å; P1128-K1130 VanDerWaalsContact C-N 3.3Å; P1128-K1130 PolarHBondContact O-N 2.61Å; P1128-R1131 PolarHBondContact O-N 3.16Å |
| 1129 | S | 96.4 | Very high | 96.4 | Very high | 95 Ų | 95 | 50.8 Ų | 50.8 | 66% | 0.664 | 26% | 0.263 | S | S | * | . | G | 310 helix | trans | -77.5 | -13.2 | 178.8 | 69.3 | 0 | 0 | 0 | 0 | 114.1 | N1127 | N1127-S1129 PolarHBondContact O-N 2.83Å; N1127-S1129 VanDerWaalsContact O-N 3.13Å; N1127-S1129 PolarHBondContact OD1-N 2.83Å; N1127-S1129 PolarHBondContact OD1-OG 3.08Å |
| 1130 | K | 97.2 | Very high | 96.4 | Very high | 159 Ų | 159 | 52.4 Ų | 52.4 | 69% | 0.691 | 27% | 0.271 | S | S | * | . | G | 310 helix | trans | -89.7 | -0.5 | 174.6 | -67.4 | -171.3 | 177.1 | -174.9 | 0 | 113.1 | A1125 N1127 P1128 | A1125-K1130 HydrophobicContact CB-CB 3.77Å; N1127-K1130 HydrophobicContact CB-CG 4.4Å; N1127-K1130 PolarHBondContact O-N 3.17Å; P1128-K1130 VanDerWaalsContact C-N 3.3Å; P1128-K1130 PolarHBondContact O-N 2.61Å |
| 1131 | R | 97.7 | Very high | 96.5 | Very high | 14 Ų | 14 | 52.4 Ų | 52.4 | 5% | 0.053 | 27% | 0.271 | C | S | . | . | S | Bend | trans | -87.8 | 135.4 | 177.5 | -59.6 | -179.9 | -161.7 | 144.7 | 13.5 | 109.9 | E1045 S1068 V1071 C1123 A1125 Y1126 P1128 | E1045-R1131 IonicContact OE1-CZ 2.69Å; E1045-R1131 IonicContact OE1-NH1 3.28Å; E1045-R1131 PolarHBondContact OE1-NH1 2.93Å; E1045-R1131 IonicContact OE1-NH2 3.19Å; E1045-R1131 IonicContact OE2-CZ 2.7Å; E1045-R1131 IonicContact OE2-NH1 3.89Å; E1045-R1131 PolarHBondContact OE2-NH1 3.36Å; E1045-R1131 IonicContact OE2-NH2 2.74Å; E1045-R1131 PolarHBondContact OE2-NH2 2.83Å; S1068-R1131 VanDerWaalsContact O-CD 3.26Å; S1068-R1131 WeakPolarHBondContact O-CD 3.22Å; S1068-R1131 PolarHBondContact O-NH1 3.1Å; V1071-R1131 HydrophobicContact CB-CB 4.48Å; V1071-R1131 HydrophobicContact CG1-CB 3.84Å; C1123-R1131 VanDerWaalsContact O-CD 3.31Å; C1123-R1131 WeakPolarHBondContact O-CD 3.38Å; A1125-R1131 HydrophobicContact CB-CG 3.93Å; A1125-R1131 PolarHBondContact O-NE 2.99Å; A1125-R1131 PolarHBondContact O-NH2 3.13Å; Y1126-R1131 PolarHBondContact O-NH2 3.3Å; P1128-R1131 PolarHBondContact O-N 3.16Å |
| 1132 | P | 97.7 | Very high | 96.4 | Very high | 16 Ų | 16 | 52.4 Ų | 52.4 | 10% | 0.104 | 27% | 0.269 | C | S | . | . | P | Polyproline II helix | trans | -75.3 | 142.2 | -177.7 | 30.3 | -35.4 | 0 | 0 | 0 | 111.6 | V1071 Q1122 T1136 L1137 | V1071-P1132 WeakPolarHBondContact CG1-O 3.41Å; V1071-P1132 WeakPolarHBondContact CG2-O 3.36Å; Q1122-P1132 HydrophobicContact CB-CG 4.07Å; Q1122-P1132 WeakPolarHBondContact O-CD 3.47Å; P1132-T1136 HydrophobicContact CB-CG2 4.13Å; P1132-L1137 HydrophobicContact CB-CG 4.34Å; P1132-L1137 HydrophobicContact CG-CD1 4.43Å; P1132-L1137 HydrophobicContact CG-CD2 3.66Å; P1132-L1137 HydrophobicContact CG-CG 3.87Å |
| 1133 | E | 97.8 | Very high | 96.2 | Very high | 127 Ų | 127 | 59.3 Ų | 59.3 | 59% | 0.593 | 29% | 0.292 | S | S | * | . | P | Polyproline II helix | trans | -58.4 | 154.2 | 167.9 | -70 | -169.4 | 169.6 | 0 | 0 | 112 | T1135 T1136 L1137 | E1133-T1135 VanDerWaalsContact CB-OG1 3.27Å; E1133-T1135 WeakPolarHBondContact CB-OG1 3.16Å; E1133-T1135 PolarHBondContact O-N 3.02Å; E1133-T1135 PolarHBondContact OE2-OG1 2.96Å; E1133-T1136 CarbonylContact O-C 3.56Å; E1133-T1136 WeakPolarHBondContact O-CA 3.4Å; E1133-T1136 WeakPolarHBondContact O-CB 3.3Å; E1133-T1136 PolarHBondContact O-N 3.17Å; E1133-L1137 PolarHBondContact O-N 2.84Å |
| 1134 | F | 98.3 | Very high | 95.9 | Very high | 3 Ų | 3 | 59.7 Ų | 59.7 | 1% | 0.013 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -56.6 | -31.4 | 170.9 | -76.9 | -71.2 | 0 | 0 | 0 | 113.6 | A980 M983 H987 L996 D1070 V1071 F1074 T1136 L1137 V1138 | A980-F1134 HydrophobicContact CB-CD1 3.88Å; M983-F1134 HydrophobicContact CB-CD1 3.71Å; M983-F1134 HydrophobicContact CB-CD2 3.65Å; M983-F1134 HydrophobicContact CB-CE1 3.66Å; M983-F1134 HydrophobicContact CB-CE2 3.62Å; M983-F1134 HydrophobicContact CB-CG 3.69Å; M983-F1134 HydrophobicContact CB-CZ 3.61Å; M983-F1134 HydrophobicContact CE-CE2 3.82Å; M983-F1134 HydrophobicContact CE-CZ 4.1Å; M983-F1134 HydrophobicContact CG-CD1 4.48Å; M983-F1134 HydrophobicContact CG-CE1 3.96Å; M983-F1134 HydrophobicContact CG-CE2 4.17Å; M983-F1134 HydrophobicContact CG-CZ 3.79Å; H987-F1134 AromaticContact CE1-CD2 3.46Å; H987-F1134 VanDerWaalsContact CE1-CD2 3.46Å; H987-F1134 WeakPolarHBondContact CE1-CD2 3Å; H987-F1134 AromaticContact CE1-CE2 3.4Å; H987-F1134 VanDerWaalsContact CE1-CE2 3.4Å; H987-F1134 WeakPolarHBondContact CE1-CE2 3.38Å; H987-F1134 AromaticContact ND1-CD2 3.5Å; H987-F1134 AromaticContact ND1-CE2 3.96Å; H987-F1134 AromaticContact NE2-CE2 3.99Å; L996-F1134 HydrophobicContact CD2-CZ 4.31Å; D1070-F1134 HydrophobicContact CB-CE2 4.11Å; V1071-F1134 HydrophobicContact CG2-CD2 3.88Å; V1071-F1134 HydrophobicContact CG2-CE2 3.57Å; V1071-F1134 HydrophobicContact CG2-CZ 4.04Å; F1074-F1134 HydrophobicContact CB-CE1 3.69Å; F1074-F1134 HydrophobicContact CB-CZ 3.71Å; F1074-F1134 HydrophobicContact CD1-CE1 4.06Å; F1074-F1134 AromaticContact CD2-CE1 3.92Å; F1074-F1134 HydrophobicContact CD2-CE1 3.92Å; F1074-F1134 AromaticContact CG-CE1 3.6Å; F1074-F1134 HydrophobicContact CG-CE1 3.6Å; F1074-F1134 HydrophobicContact CG-CZ 4.17Å; F1134-T1136 PolarHBondContact O-N 3.13Å; F1134-L1137 HydrophobicContact CD1-CD1 3.78Å; F1134-L1137 HydrophobicContact CE1-CD1 4Å; F1134-L1137 HydrophobicContact CG-CD1 4.41Å; F1134-L1137 PolarHBondContact O-N 3.19Å; F1134-V1138 WeakPolarHBondContact O-CG2 3.46Å; F1134-V1138 PolarHBondContact O-N 2.89Å |
| 1135 | T | 96.5 | Very high | 95.1 | Very high | 70 Ų | 70 | 62.6 Ų | 62.6 | 43% | 0.429 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -58.1 | -28.3 | 171.9 | 64.8 | 0 | 0 | 0 | 0 | 113.1 | E1133 K1139 | E1133-T1135 VanDerWaalsContact CB-OG1 3.27Å; E1133-T1135 WeakPolarHBondContact CB-OG1 3.16Å; E1133-T1135 PolarHBondContact O-N 3.02Å; E1133-T1135 PolarHBondContact OE2-OG1 2.96Å; T1135-K1139 WeakPolarHBondContact O-CD 3.28Å; T1135-K1139 WeakPolarHBondContact O-CE 3.29Å; T1135-K1139 WeakPolarHBondContact O-CG 3.42Å |
| 1136 | T | 97.3 | Very high | 94 | Very high | 57 Ų | 57 | 66.6 Ų | 66.6 | 35% | 0.35 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -94.9 | -38.4 | 178.1 | -64.4 | 0 | 0 | 0 | 0 | 111.1 | P1132 E1133 F1134 V1138 K1139 L1140 | P1132-T1136 HydrophobicContact CB-CG2 4.13Å; E1133-T1136 CarbonylContact O-C 3.56Å; E1133-T1136 WeakPolarHBondContact O-CA 3.4Å; E1133-T1136 WeakPolarHBondContact O-CB 3.3Å; E1133-T1136 PolarHBondContact O-N 3.17Å; F1134-T1136 PolarHBondContact O-N 3.13Å; T1136-V1138 VanDerWaalsContact C-N 3.33Å; T1136-V1138 PolarHBondContact O-N 3.32Å; T1136-K1139 WeakPolarHBondContact O-CA 3.25Å; T1136-K1139 WeakPolarHBondContact O-CB 3.39Å; T1136-K1139 PolarHBondContact O-N 3.05Å; T1136-L1140 HydrophobicContact CG2-CD1 4.18Å; T1136-L1140 HydrophobicContact CG2-CG 4.42Å; T1136-L1140 WeakPolarHBondContact O-CG 3.46Å; T1136-L1140 PolarHBondContact O-N 2.87Å |
| 1137 | L | 97.4 | Very high | 92.2 | Very high | 0 Ų | 0 | 66.7 Ų | 66.7 | 0% | 0 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -57.9 | -41.7 | 174.1 | -73.2 | 168.3 | 0 | 0 | 0 | 112.7 | V1071 F1074 I1119 P1132 E1133 F1134 K1139 L1140 L1141 | V1071-L1137 HydrophobicContact CG1-CD1 4.12Å; V1071-L1137 HydrophobicContact CG2-CD1 4.48Å; F1074-L1137 HydrophobicContact CD1-CD1 3.76Å; F1074-L1137 HydrophobicContact CE1-CD1 4Å; F1074-L1137 HydrophobicContact CE1-CD2 4.32Å; I1119-L1137 HydrophobicContact CG2-CD2 3.96Å; P1132-L1137 HydrophobicContact CB-CG 4.34Å; P1132-L1137 HydrophobicContact CG-CD1 4.43Å; P1132-L1137 HydrophobicContact CG-CD2 3.66Å; P1132-L1137 HydrophobicContact CG-CG 3.87Å; E1133-L1137 PolarHBondContact O-N 2.84Å; F1134-L1137 HydrophobicContact CD1-CD1 3.78Å; F1134-L1137 HydrophobicContact CE1-CD1 4Å; F1134-L1137 HydrophobicContact CG-CD1 4.41Å; F1134-L1137 PolarHBondContact O-N 3.19Å; L1137-K1139 VanDerWaalsContact C-N 3.29Å; L1137-K1139 PolarHBondContact O-N 3.5Å; L1137-L1140 HydrophobicContact CD2-CD1 4.43Å; L1137-L1140 PolarHBondContact O-N 2.84Å; L1137-L1140 VanDerWaalsContact O-N 3.16Å; L1137-L1141 WeakPolarHBondContact O-CB 3.34Å; L1137-L1141 WeakPolarHBondContact O-CD1 3.2Å; L1137-L1141 VanDerWaalsContact O-CG 3.23Å; L1137-L1141 WeakPolarHBondContact O-CG 3.43Å; L1137-L1141 PolarHBondContact O-N 2.62Å |
| 1138 | V | 97 | Very high | 89.9 | Confident | 24 Ų | 24 | 70.2 Ų | 70.2 | 15% | 0.145 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -57.2 | -43.8 | 173.6 | 173.1 | 0 | 0 | 0 | 0 | 111 | A980 K981 F1134 T1136 L1140 L1141 D1142 | A980-V1138 HydrophobicContact CB-CG2 3.61Å; K981-V1138 HydrophobicContact CG-CG1 4.33Å; K981-V1138 HydrophobicContact CG-CG2 3.86Å; F1134-V1138 WeakPolarHBondContact O-CG2 3.46Å; F1134-V1138 PolarHBondContact O-N 2.89Å; T1136-V1138 VanDerWaalsContact C-N 3.33Å; T1136-V1138 PolarHBondContact O-N 3.32Å; V1138-L1140 VanDerWaalsContact C-N 3.34Å; V1138-L1140 PolarHBondContact O-N 2.8Å; V1138-L1141 PolarHBondContact O-N 2.9Å; V1138-D1142 VanDerWaalsContact O-CB 3.31Å; V1138-D1142 WeakPolarHBondContact O-CB 3.49Å; V1138-D1142 PolarHBondContact O-N 2.78Å |
| 1139 | K | 95.8 | Very high | 87.5 | Confident | 116 Ų | 116 | 80 Ų | 80 | 50% | 0.504 | 38% | 0.383 | S | S | . | . | H | α-helix | trans | -66.4 | -33.5 | 178.3 | -61.1 | 170.1 | -172.9 | 170.7 | 0 | 112.4 | T1135 T1136 L1137 R1143 | T1135-K1139 WeakPolarHBondContact O-CD 3.28Å; T1135-K1139 WeakPolarHBondContact O-CE 3.29Å; T1135-K1139 WeakPolarHBondContact O-CG 3.42Å; T1136-K1139 WeakPolarHBondContact O-CA 3.25Å; T1136-K1139 WeakPolarHBondContact O-CB 3.39Å; T1136-K1139 PolarHBondContact O-N 3.05Å; L1137-K1139 VanDerWaalsContact C-N 3.29Å; L1137-K1139 PolarHBondContact O-N 3.5Å; K1139-R1143 VanDerWaalsContact O-CD 3.29Å; K1139-R1143 WeakPolarHBondContact O-CD 3.5Å; K1139-R1143 WeakPolarHBondContact O-CG 3.43Å |
| 1140 | L | 95.6 | Very high | 84.6 | Confident | 39 Ų | 39 | 80.2 Ų | 80.2 | 20% | 0.204 | 38% | 0.384 | C | S | . | . | H | α-helix | trans | -72.5 | -47.2 | 175.8 | -67.8 | 169.8 | 0 | 0 | 0 | 111.4 | I1119 T1136 L1137 V1138 R1143 L1144 | I1119-L1140 HydrophobicContact CD1-CB 3.94Å; I1119-L1140 HydrophobicContact CG1-CB 4.04Å; I1119-L1140 HydrophobicContact CG1-CD1 4.46Å; T1136-L1140 HydrophobicContact CG2-CD1 4.18Å; T1136-L1140 HydrophobicContact CG2-CG 4.42Å; T1136-L1140 WeakPolarHBondContact O-CG 3.46Å; T1136-L1140 PolarHBondContact O-N 2.87Å; L1137-L1140 HydrophobicContact CD2-CD1 4.43Å; L1137-L1140 PolarHBondContact O-N 2.84Å; L1137-L1140 VanDerWaalsContact O-N 3.16Å; V1138-L1140 VanDerWaalsContact C-N 3.34Å; V1138-L1140 PolarHBondContact O-N 2.8Å; L1140-R1143 WeakPolarHBondContact O-CB 3.31Å; L1140-R1143 PolarHBondContact O-N 2.78Å; L1140-L1144 PolarHBondContact O-N 2.87Å |
| 1141 | L | 95.5 | Very high | 81.6 | Confident | 0 Ų | 0 | 77.7 Ų | 77.7 | 0% | 0 | 38% | 0.384 | C | S | . | . | H | α-helix | trans | -64 | -42.7 | 179.2 | -68.4 | 161.6 | 0 | 0 | 0 | 112.1 | I973 A976 A980 F1074 W1078 I1119 L1137 V1138 R1143 L1144 | I973-L1141 WeakPolarHBondContact CG2-O 3.49Å; A976-L1141 HydrophobicContact CB-CD1 4.13Å; A976-L1141 HydrophobicContact CB-CD2 3.89Å; A980-L1141 HydrophobicContact CB-CD1 4.05Å; F1074-L1141 HydrophobicContact CE1-CD1 4.35Å; F1074-L1141 HydrophobicContact CZ-CD1 3.83Å; W1078-L1141 HydrophobicContact CE3-CD2 4.45Å; W1078-L1141 HydrophobicContact CH2-CD2 3.98Å; W1078-L1141 HydrophobicContact CZ2-CD2 4.19Å; W1078-L1141 HydrophobicContact CZ3-CD2 4.11Å; I1119-L1141 HydrophobicContact CD1-CD2 4.01Å; I1119-L1141 HydrophobicContact CD1-CG 4.36Å; L1137-L1141 WeakPolarHBondContact O-CB 3.34Å; L1137-L1141 WeakPolarHBondContact O-CD1 3.2Å; L1137-L1141 VanDerWaalsContact O-CG 3.23Å; L1137-L1141 WeakPolarHBondContact O-CG 3.43Å; L1137-L1141 PolarHBondContact O-N 2.62Å; V1138-L1141 PolarHBondContact O-N 2.9Å; L1141-R1143 PolarHBondContact O-N 3.07Å; L1141-L1144 HydrophobicContact CD2-CD1 4.04Å; L1141-L1144 WeakPolarHBondContact O-CB 3.42Å; L1141-L1144 PolarHBondContact O-N 3.07Å |
| 1142 | D | 91.4 | Very high | 78.8 | Confident | 65 Ų | 65 | 82.8 Ų | 82.8 | 35% | 0.348 | 42% | 0.422 | S | S | . | . | H | α-helix | trans | -70.3 | -18.9 | -179.3 | -73.6 | -14.3 | 0 | 0 | 0 | 112.7 | S977 K981 V1138 K1146 | S977-D1142 PolarHBondContact OG-OD1 3.41Å; K981-D1142 IonicContact NZ-OD1 3.42Å; K981-D1142 IonicContact NZ-OD2 2.74Å; K981-D1142 PolarHBondContact NZ-OD2 2.74Å; V1138-D1142 VanDerWaalsContact O-CB 3.31Å; V1138-D1142 WeakPolarHBondContact O-CB 3.49Å; V1138-D1142 PolarHBondContact O-N 2.78Å; D1142-K1146 PolarHBondContact O-NZ 2.99Å |
| 1143 | R | 91.1 | Very high | 76 | Confident | 203 Ų | 203 | 91.8 Ų | 91.8 | 77% | 0.766 | 46% | 0.455 | S | S | * | . | H | α-helix | trans | -83.4 | -16.6 | 172.2 | -77.9 | 173 | -179.8 | -174.2 | -0.5 | 114.7 | K1139 L1140 L1141 | K1139-R1143 VanDerWaalsContact O-CD 3.29Å; K1139-R1143 WeakPolarHBondContact O-CD 3.5Å; K1139-R1143 WeakPolarHBondContact O-CG 3.43Å; L1140-R1143 WeakPolarHBondContact O-CB 3.31Å; L1140-R1143 PolarHBondContact O-N 2.78Å; L1141-R1143 PolarHBondContact O-N 3.07Å |
| 1144 | L | 91.4 | Very high | 73.4 | Confident | 8 Ų | 8 | 91.2 Ų | 91.2 | 4% | 0.042 | 46% | 0.462 | C | S | . | . | S | Bend | trans | -58.7 | 145.9 | -179.2 | -70.1 | 175.6 | 0 | 0 | 0 | 111.4 | I973 W1078 D1115 F1116 I1119 L1140 L1141 K1146 | I973-L1144 HydrophobicContact CD1-CB 4.04Å; I973-L1144 HydrophobicContact CD1-CD1 4.35Å; I973-L1144 HydrophobicContact CG1-CB 4.49Å; I973-L1144 HydrophobicContact CG1-CD1 3.97Å; I973-L1144 HydrophobicContact CG2-CD1 4.45Å; W1078-L1144 HydrophobicContact CH2-CD1 3.84Å; W1078-L1144 HydrophobicContact CZ2-CD1 3.86Å; D1115-L1144 HydrophobicContact CB-CD2 3.64Å; F1116-L1144 HydrophobicContact CD1-CD1 4.05Å; F1116-L1144 HydrophobicContact CD2-CD2 3.92Å; F1116-L1144 HydrophobicContact CE1-CD1 3.89Å; F1116-L1144 HydrophobicContact CE2-CB 4.43Å; F1116-L1144 HydrophobicContact CE2-CD2 3.97Å; F1116-L1144 HydrophobicContact CG-CD1 4.45Å; F1116-L1144 HydrophobicContact CG-CD2 4.29Å; F1116-L1144 HydrophobicContact CZ-CB 4.2Å; F1116-L1144 HydrophobicContact CZ-CD1 4.16Å; F1116-L1144 HydrophobicContact CZ-CD2 4.37Å; F1116-L1144 HydrophobicContact CZ-CG 4.49Å; I1119-L1144 HydrophobicContact CD1-CD1 3.89Å; I1119-L1144 HydrophobicContact CD1-CD2 3.91Å; I1119-L1144 HydrophobicContact CD1-CG 4.04Å; L1140-L1144 PolarHBondContact O-N 2.87Å; L1141-L1144 HydrophobicContact CD2-CD1 4.04Å; L1141-L1144 WeakPolarHBondContact O-CB 3.42Å; L1141-L1144 PolarHBondContact O-N 3.07Å; L1144-K1146 PolarHBondContact O-N 2.73Å |
| 1145 | P | 80.4 | Confident | 70.4 | Confident | 68 Ų | 68 | 95.6 Ų | 95.6 | 44% | 0.442 | 50% | 0.5 | S | S | . | . | trans | -65.4 | 97.8 | -179.2 | 26.3 | -34.6 | 0 | 0 | 0 | 111 | F1116 L1147 | F1116-P1145 HydrophobicContact CE2-CG 4.04Å; P1145-L1147 PolarHBondContact O-N 2.88Å | ||
| 1146 | K | 72.4 | Confident | 67.6 | Low | 98 Ų | 98 | 101 Ų | 101 | 43% | 0.426 | 52% | 0.517 | S | S | . | . | trans | -64 | 115.5 | 170.9 | -72.8 | 153.6 | -178.4 | 154.8 | 0 | 107.9 | D1142 L1144 H1148 | D1142-K1146 PolarHBondContact O-NZ 2.99Å; L1144-K1146 PolarHBondContact O-N 2.73Å; K1146-H1148 PolarHBondContact O-CD2 3.01Å; K1146-H1148 PolarHBondContact O-N 2.88Å | ||
| 1147 | L | 57.6 | Low | 64.6 | Low | 123 Ų | 123 | 103.6 Ų | 103.6 | 64% | 0.644 | 54% | 0.535 | S | S | * | . | trans | -73.2 | 76.8 | 175.9 | -90.8 | 172.8 | 0 | 0 | 0 | 109.5 | I969 N970 P1145 R1149 | I969-L1147 HydrophobicContact CG2-CB 4.4Å; I969-L1147 HydrophobicContact CG2-CD1 4.07Å; N970-L1147 PolarHBondContact ND2-O 2.76Å; N970-L1147 PolarHBondContact OD1-N 3.26Å; P1145-L1147 PolarHBondContact O-N 2.88Å; L1147-R1149 PolarHBondContact O-N 2.98Å | ||
| 1148 | H | 47.8 | Very low | 61.7 | Low | 152 Ų | 152 | 114.8 Ų | 114.8 | 70% | 0.704 | 58% | 0.579 | S | S | * | * | P | Polyproline II helix | trans | -58 | 120.8 | 156.2 | -70.7 | -94.5 | 0 | 0 | 0 | 106.8 | K1146 S1150 | K1146-H1148 PolarHBondContact O-CD2 3.01Å; K1146-H1148 PolarHBondContact O-N 2.88Å; H1148-S1150 PolarHBondContact O-N 2.92Å |
| 1149 | R | 45 | Very low | 58.9 | Low | 242 Ų | 242 | 119.2 Ų | 119.2 | 91% | 0.913 | 61% | 0.606 | S | S | * | * | P | Polyproline II helix | trans | -56 | 117.7 | 165 | -78.7 | -178.5 | 173.8 | 165 | -2.3 | 106.7 | L1147 | L1147-R1149 PolarHBondContact O-N 2.98Š|
| 1150 | S | 35.3 | Very low | 55.9 | Low | 100 Ų | 100 | 117.5 Ų | 117.5 | 70% | 0.699 | 62% | 0.621 | S | S | * | * | P | Polyproline II helix | trans | -47.9 | 129.8 | 165.6 | -55.4 | 0 | 0 | 0 | 0 | 107.8 | H1148 S1152 | H1148-S1150 PolarHBondContact O-N 2.92Å; S1150-S1152 PolarHBondContact O-N 3.41Å; S1150-S1152 VanDerWaalsContact O-N 3.15Å |
| 1151 | P | 35.5 | Very low | 53.3 | Low | 106 Ų | 106 | 122 Ų | 122 | 69% | 0.688 | 65% | 0.65 | S | S | * | * | P | Polyproline II helix | trans | -52.8 | 127.1 | 172.2 | -24.5 | 33.9 | 0 | 0 | 0 | 108.1 | Y1153 | P1151-Y1153 PolarHBondContact O-N 3.15Š|
| 1152 | S | 38 | Very low | 50.5 | Low | 121 Ų | 121 | 126.6 Ų | 126.6 | 85% | 0.846 | 69% | 0.688 | S | S | * | * | trans | -68.9 | 75.2 | -177.4 | -55.1 | 0 | 0 | 0 | 0 | 110.2 | S1150 P1154 | S1150-S1152 PolarHBondContact O-N 3.41Å; S1150-S1152 VanDerWaalsContact O-N 3.15Å; S1152-P1154 VanDerWaalsContact O-CD 3.26Å; S1152-P1154 WeakPolarHBondContact O-CD 3.3Å; S1152-P1154 VanDerWaalsContact O-N 3.14Å | ||
| 1153 | Y | 39.7 | Very low | 48 | Very low | 206 Ų | 206 | 129.4 Ų | 129.4 | 81% | 0.808 | 71% | 0.713 | S | S | * | * | trans | -56.6 | 116.6 | 168.1 | -96.8 | -87.2 | 0 | 0 | 0 | 107.3 | P1151 A1155 | P1151-Y1153 PolarHBondContact O-N 3.15Å; Y1153-A1155 PolarHBondContact O-N 3.15Å | ||
| 1154 | P | 42 | Very low | 45.4 | Very low | 114 Ų | 114 | 123 Ų | 123 | 74% | 0.74 | 71% | 0.71 | S | S | * | * | trans | -67 | 109 | 173.8 | 27.5 | -31.6 | 0 | 0 | 0 | 107 | S1152 K1156 | S1152-P1154 VanDerWaalsContact O-CD 3.26Å; S1152-P1154 WeakPolarHBondContact O-CD 3.3Å; S1152-P1154 VanDerWaalsContact O-N 3.14Å; P1154-K1156 PolarHBondContact O-N 2.92Å | ||
| 1155 | A | 35.8 | Very low | 42.9 | Very low | 96 Ų | 96 | 128.4 Ų | 128.4 | 79% | 0.793 | 75% | 0.748 | S | S | * | * | trans | -54.8 | 115.1 | 164.2 | 0 | 0 | 0 | 0 | 0 | 106.6 | Y1153 | Y1153-A1155 PolarHBondContact O-N 3.15Š| ||
| 1156 | K | 37.9 | Very low | 40.7 | Very low | 184 Ų | 184 | 134.9 Ų | 134.9 | 80% | 0.8 | 77% | 0.772 | S | S | * | * | trans | -55 | 133.3 | -176.2 | -69.4 | -179.4 | 178.7 | 178.5 | 0 | 108.4 | P1154 Y1158 | P1154-K1156 PolarHBondContact O-N 2.92Å; K1156-Y1158 PolarHBondContact O-N 3.13Å; K1156-Y1158 VanDerWaalsContact O-N 3.14Å | ||
| 1157 | P | 35.3 | Very low | 39 | Very low | 110 Ų | 110 | 134 Ų | 134 | 71% | 0.714 | 79% | 0.791 | S | S | * | * | trans | -60.3 | 122.9 | 172.4 | 26.2 | -32.9 | 0 | 0 | 0 | 108.1 | T1159 | P1157-T1159 VanDerWaalsContact C-N 3.31Å; P1157-T1159 PolarHBondContact O-N 2.9Å | ||
| 1158 | Y | 35.2 | Very low | 38 | Very low | 235 Ų | 235 | 133.3 Ų | 133.3 | 92% | 0.922 | 80% | 0.797 | S | S | * | * | trans | -67.7 | 95.3 | 168.8 | -92.9 | -90.6 | 0 | 0 | 0 | 107.9 | K1156 G1160 | K1156-Y1158 PolarHBondContact O-N 3.13Å; K1156-Y1158 VanDerWaalsContact O-N 3.14Å; Y1158-G1160 PolarHBondContact O-N 2.98Å | ||
| 1159 | T | 38.6 | Very low | 37.2 | Very low | 117 Ų | 117 | 133.7 Ų | 133.7 | 72% | 0.718 | 80% | 0.803 | S | S | * | * | trans | -68.1 | 95.8 | 174.9 | 49.1 | 0 | 0 | 0 | 0 | 109.2 | P1157 V1161 | P1157-T1159 VanDerWaalsContact C-N 3.31Å; P1157-T1159 PolarHBondContact O-N 2.9Å; T1159-V1161 PolarHBondContact O-N 3.3Å | ||
| 1160 | G | 32.8 | Very low | 36.8 | Very low | 80 Ų | 80 | 130.2 Ų | 130.2 | 83% | 0.825 | 80% | 0.802 | S | S | * | * | trans | -66 | 98.1 | 172.3 | 0 | 0 | 0 | 0 | 0 | 110.9 | Y1158 | Y1158-G1160 PolarHBondContact O-N 2.98Š| ||
| 1161 | V | 41 | Very low | 36.6 | Very low | 135 Ų | 135 | 133.4 Ų | 133.4 | 82% | 0.818 | 83% | 0.834 | S | S | * | * | trans | -98.6 | 99.6 | 165.3 | -178.9 | 0 | 0 | 0 | 0 | 107.4 | T1159 | T1159-V1161 PolarHBondContact O-N 3.3Š| ||
| 1162 | A | 37.3 | Very low | 36.7 | Very low | 95 Ų | 95 | 134.8 Ų | 134.8 | 79% | 0.785 | 84% | 0.841 | S | S | * | * | trans | -91.7 | 113.2 | 178 | 0 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 1163 | S | 38.3 | Very low | 36.6 | Very low | 125 Ų | 125 | 135.5 Ų | 135.5 | 87% | 0.874 | 84% | 0.841 | S | S | * | * | trans | 156.8 | 139.1 | 144 | 49.2 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 1164 | G | 35.6 | Very low | 36.5 | Very low | 69 Ų | 69 | 131.6 Ų | 131.6 | 71% | 0.711 | 84% | 0.843 | S | S | * | * | trans | 131.6 | 83.9 | 169.9 | 0 | 0 | 0 | 0 | 0 | 116.6 | ||||
| 1165 | S | 39.4 | Very low | 36.1 | Very low | 120 Ų | 120 | 132.6 Ų | 132.6 | 84% | 0.839 | 85% | 0.849 | S | S | * | * | trans | 46.3 | 122.2 | 152.1 | 53.5 | 0 | 0 | 0 | 0 | 121.9 | ||||
| 1166 | H | 33.7 | Very low | 36.2 | Very low | 204 Ų | 204 | 134.9 Ų | 134.9 | 94% | 0.944 | 85% | 0.852 | S | S | * | * | trans | -47.3 | 151.2 | 169 | -61.3 | -110.2 | 0 | 0 | 0 | 116.3 | ||||
| 1167 | G | 37 | Very low | 36 | Very low | 79 Ų | 79 | 131.7 Ų | 131.7 | 81% | 0.814 | 86% | 0.856 | S | S | * | * | trans | 179.7 | 49 | 171.3 | 0 | 0 | 0 | 0 | 0 | 119.8 | ||||
| 1168 | S | 36 | Very low | 36.1 | Very low | 110 Ų | 110 | 133.2 Ų | 133.2 | 77% | 0.769 | 87% | 0.866 | S | S | * | * | trans | 34.2 | 135.9 | 157.6 | -142.1 | 0 | 0 | 0 | 0 | 123.3 | ||||
| 1169 | L | 31.4 | Very low | 36.2 | Very low | 160 Ų | 160 | 125.4 Ų | 125.4 | 84% | 0.838 | 86% | 0.862 | S | S | * | * | trans | 65.7 | 101.5 | 154.6 | -70.1 | 161.7 | 0 | 0 | 0 | 120.7 | ||||
| 1170 | L | 36 | Very low | 36 | Very low | 169 Ų | 169 | 126.1 Ų | 126.1 | 89% | 0.885 | 87% | 0.874 | S | S | * | * | trans | -149.5 | 134.1 | 136.3 | -82.6 | 173.2 | 0 | 0 | 0 | 105.1 | ||||
| 1171 | A | 33 | Very low | 36.2 | Very low | 167 Ų | 167 | 130.3 Ų | 130.3 | 100% | 1.38 | 88% | 0.878 | S | S | * | * | 79.1 | 0 | 55.4 | 0 | 0 | 0 | 0 | 0 | 112.9 |
Retrieved 1,171 of 1,171 residues in 534.1 ms
(Link to these results)