| 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 | 30.1 | Very low | 30.5 | Very low | 163 Ų | 163 | 136.1 Ų | 136.1 | 80% | 0.803 | 70% | 0.698 | S | S | * | * | 0 | -53.4 | 0 | -96 | -175.8 | 168 | 0 | 0 | 113.7 | S3 Q4 V5 Q334 | M1-S3 PolarHBondContact O-N 2.84Å; M1-Q4 PolarHBondContact O-N 3.35Å; M1-V5 PolarHBondContact O-N 2.62Å; M1-Q334 HydrophobicContact CE-CG 4.05Å | |||
| 2 | K | 28 | Very low | 30.3 | Very low | 196 Ų | 196 | 135 Ų | 135 | 85% | 0.852 | 71% | 0.706 | S | S | * | * | H | α-helix | trans | -58.3 | -25 | 171 | -82.4 | -176.5 | 176.1 | 178.4 | 0 | 114.3 | K6 | K2-K6 PolarHBondContact O-N 3.05Å |
| 3 | S | 29.2 | Very low | 30.3 | Very low | 81 Ų | 81 | 129.9 Ų | 129.9 | 57% | 0.566 | 68% | 0.68 | S | S | * | * | H | α-helix | trans | -79.6 | -22.7 | 173.1 | 67.3 | 0 | 0 | 0 | 0 | 114.7 | M1 N7 | M1-S3 PolarHBondContact O-N 2.84Å; S3-N7 PolarHBondContact O-N 2.88Å |
| 4 | Q | 30.1 | Very low | 30.3 | Very low | 145 Ų | 145 | 124.4 Ų | 124.4 | 68% | 0.678 | 66% | 0.658 | S | S | * | * | H | α-helix | trans | -84.4 | -22.2 | 176.3 | -74.5 | -149.8 | -20.7 | 0 | 0 | 112.9 | M1 | M1-Q4 PolarHBondContact O-N 3.35Å |
| 5 | V | 34.7 | Very low | 30.4 | Very low | 112 Ų | 112 | 124.4 Ų | 124.4 | 68% | 0.679 | 67% | 0.667 | S | S | * | * | H | α-helix | trans | -76.2 | -30.6 | 170.6 | 179.5 | 0 | 0 | 0 | 0 | 111.3 | M1 F8 | M1-V5 PolarHBondContact O-N 2.62Å; V5-F8 PolarHBondContact O-N 3.22Å |
| 6 | K | 32 | Very low | 30.6 | Very low | 148 Ų | 148 | 126.6 Ų | 126.6 | 64% | 0.643 | 68% | 0.679 | S | S | * | * | H | α-helix | trans | -69.8 | -29 | 170.9 | -82.8 | -169.6 | 171.5 | -169.5 | 0 | 113.5 | K2 F8 E9 | K2-K6 PolarHBondContact O-N 3.05Å; K6-F8 PolarHBondContact O-N 3.4Å; K6-E9 WeakPolarHBondContact O-CB 3.42Å; K6-E9 PolarHBondContact O-N 3.18Å |
| 7 | N | 30.6 | Very low | 30.8 | Very low | 130 Ų | 130 | 126.3 Ų | 126.3 | 70% | 0.695 | 67% | 0.672 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -75.6 | -0.1 | 174.4 | -71.3 | -3.5 | 0 | 0 | 0 | 113.9 | S3 | S3-N7 PolarHBondContact O-N 2.88Š|
| 8 | F | 31 | Very low | 31.3 | Very low | 170 Ų | 170 | 123.4 Ų | 123.4 | 75% | 0.746 | 66% | 0.656 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -94.8 | 0.9 | 166.3 | -92.7 | -81.6 | 0 | 0 | 0 | 113 | V5 K6 S10 | V5-F8 PolarHBondContact O-N 3.22Å; K6-F8 PolarHBondContact O-N 3.4Å; F8-S10 VanDerWaalsContact C-N 3.28Å; F8-S10 PolarHBondContact O-N 2.71Å |
| 9 | E | 29.2 | Very low | 32.4 | Very low | 148 Ų | 148 | 124.1 Ų | 124.1 | 69% | 0.692 | 65% | 0.653 | S | S | * | * | S | Bend | trans | -60.2 | 105.4 | 148.7 | -73.4 | 177.3 | 164.8 | 0 | 0 | 105.4 | K6 V11 | K6-E9 WeakPolarHBondContact O-CB 3.42Å; K6-E9 PolarHBondContact O-N 3.18Å; E9-V11 PolarHBondContact O-N 3.49Å |
| 10 | S | 31.7 | Very low | 34 | Very low | 92 Ų | 92 | 118.4 Ų | 118.4 | 64% | 0.643 | 62% | 0.623 | S | S | * | * | trans | -1.4 | 115.3 | 166.3 | 51 | 0 | 0 | 0 | 0 | 112.7 | F8 P12 | F8-S10 VanDerWaalsContact C-N 3.28Å; F8-S10 PolarHBondContact O-N 2.71Å; S10-P12 WeakPolarHBondContact O-CD 3.42Å | ||
| 11 | V | 28.6 | Very low | 35.8 | Very low | 112 Ų | 112 | 114.7 Ų | 114.7 | 68% | 0.679 | 60% | 0.604 | S | S | * | * | trans | -36.8 | 121.2 | 150.4 | 175.1 | 0 | 0 | 0 | 0 | 105.5 | E9 L13 | E9-V11 PolarHBondContact O-N 3.49Å; V11-L13 PolarHBondContact O-N 2.96Å | ||
| 12 | P | 29 | Very low | 38.2 | Very low | 123 Ų | 123 | 109.6 Ų | 109.6 | 80% | 0.799 | 58% | 0.583 | S | S | * | * | trans | -69.6 | 77.6 | -177.1 | 26.2 | -31.2 | 0 | 0 | 0 | 107.5 | S10 S14 | S10-P12 WeakPolarHBondContact O-CD 3.42Å; P12-S14 PolarHBondContact O-N 3.33Å | ||
| 13 | L | 29.7 | Very low | 41.1 | Very low | 69 Ų | 69 | 100.3 Ų | 100.3 | 36% | 0.361 | 54% | 0.542 | S | S | . | . | trans | -59.5 | 123.8 | 159 | -72.6 | 163.3 | 0 | 0 | 0 | 104.1 | V11 I18 | V11-L13 PolarHBondContact O-N 2.96Å; L13-I18 HydrophobicContact CB-CG1 4.23Å | ||
| 14 | S | 29.9 | Very low | 44.2 | Very low | 53 Ų | 53 | 98.1 Ų | 98.1 | 37% | 0.371 | 53% | 0.526 | S | S | . | . | trans | -45.5 | 139 | -179.2 | 70.8 | 0 | 0 | 0 | 0 | 110 | P12 N16 Q17 | P12-S14 PolarHBondContact O-N 3.33Å; S14-N16 PolarHBondContact O-N 3.5Å; S14-Q17 PolarHBondContact O-N 3.3Å; S14-Q17 WeakPolarHBondContact OG-CG 3.33Å | ||
| 15 | P | 32.7 | Very low | 47.2 | Very low | 124 Ų | 124 | 91.2 Ų | 91.2 | 81% | 0.805 | 49% | 0.493 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.7 | -16.3 | -175.2 | 17.3 | -28.6 | 0 | 0 | 0 | 113.5 | ||
| 16 | N | 32.9 | Very low | 50.1 | Low | 159 Ų | 159 | 86 Ų | 86 | 85% | 0.85 | 46% | 0.461 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82.7 | -3.8 | 174.7 | -70.3 | -12.4 | 0 | 0 | 0 | 114.8 | S14 | S14-N16 PolarHBondContact O-N 3.5Š|
| 17 | Q | 34.7 | Very low | 53.1 | Low | 122 Ų | 122 | 78.9 Ų | 78.9 | 57% | 0.57 | 43% | 0.431 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -110.4 | -13.3 | -174.9 | -80.5 | -174.1 | -19.9 | 0 | 0 | 115.8 | S14 K19 | S14-Q17 PolarHBondContact O-N 3.3Å; S14-Q17 WeakPolarHBondContact OG-CG 3.33Å; Q17-K19 VanDerWaalsContact C-N 3.32Å; Q17-K19 PolarHBondContact O-N 3.04Å |
| 18 | I | 40.3 | Very low | 56.1 | Low | 74 Ų | 74 | 73.1 Ų | 73.1 | 38% | 0.379 | 40% | 0.4 | S | S | . | . | trans | -76.8 | 85 | -177.4 | -54.1 | 178 | 0 | 0 | 0 | 109.4 | L13 T20 K481 | L13-I18 HydrophobicContact CB-CG1 4.23Å; I18-T20 VanDerWaalsContact CG2-O 3.26Å; I18-T20 WeakPolarHBondContact CG2-O 3.26Å; I18-K481 PolarHBondContact O-NZ 3.33Å | ||
| 19 | K | 51.8 | Low | 59.1 | Low | 137 Ų | 137 | 69.2 Ų | 69.2 | 60% | 0.596 | 38% | 0.384 | S | S | * | . | trans | -73.2 | -26.2 | 175.7 | -80.4 | -175.4 | 178.1 | 179.6 | 0 | 112.4 | Q17 K481 | Q17-K19 VanDerWaalsContact C-N 3.32Å; Q17-K19 PolarHBondContact O-N 3.04Å; K19-K481 PolarHBondContact O-NZ 3.22Å | ||
| 20 | T | 64 | Low | 62.2 | Low | 9 Ų | 9 | 62.2 Ų | 62.2 | 6% | 0.055 | 35% | 0.351 | C | S | . | . | S | Bend | trans | -128.6 | 156.7 | -173.6 | 44.6 | 0 | 0 | 0 | 0 | 114.9 | I18 P22 S221 R223 | I18-T20 VanDerWaalsContact CG2-O 3.26Å; I18-T20 WeakPolarHBondContact CG2-O 3.26Å; T20-P22 WeakPolarHBondContact O-CD 3.29Å; T20-S221 PolarHBondContact OG1-O 3.2Å; T20-R223 HydrophobicContact CG2-CG 3.97Å; T20-R223 WeakPolarHBondContact OG1-CG 3.46Å |
| 21 | I | 71.2 | Confident | 65.2 | Low | 42 Ų | 42 | 58.3 Ų | 58.3 | 22% | 0.215 | 32% | 0.323 | C | S | . | . | trans | -80.1 | 117.2 | 177.9 | -58.7 | 113.1 | 0 | 0 | 0 | 109.3 | T23 Y479 | I21-T23 PolarHBondContact O-N 3.39Å; I21-T23 PolarHBondContact O-OG1 3.24Å; I21-T23 VanDerWaalsContact O-OG1 3.14Å; I21-Y479 VanDerWaalsContact CD1-CB 3.49Å; I21-Y479 HydrophobicContact CD1-CG 4.4Å; I21-Y479 HydrophobicContact CG1-CG 4.34Å; I21-Y479 HydrophobicContact CG2-CD1 4.35Å; I21-Y479 HydrophobicContact CG2-CD2 4.36Å; I21-Y479 HydrophobicContact CG2-CG 4.06Å | ||
| 22 | P | 81.9 | Confident | 68.3 | Low | 56 Ų | 56 | 53 Ų | 53 | 36% | 0.364 | 29% | 0.291 | S | S | . | . | trans | -61.5 | 123.5 | 174.5 | 22.2 | -29.4 | 0 | 0 | 0 | 109.6 | T20 P59 | T20-P22 WeakPolarHBondContact O-CD 3.29Å; P22-P59 HydrophobicContact CB-CB 4.3Å; P22-P59 HydrophobicContact CB-CG 3.55Å | ||
| 23 | T | 88.8 | Confident | 71.2 | Confident | 0 Ų | 0 | 50.4 Ų | 50.4 | 0% | 0 | 27% | 0.271 | C | S | . | . | trans | -122.8 | 118.2 | -174.9 | -56.8 | 0 | 0 | 0 | 0 | 111.4 | I21 L94 N95 L192 V193 T224 | I21-T23 PolarHBondContact O-N 3.39Å; I21-T23 PolarHBondContact O-OG1 3.24Å; I21-T23 VanDerWaalsContact O-OG1 3.14Å; T23-L94 HydrophobicContact CG2-CB 4.08Å; T23-L94 HydrophobicContact CG2-CD2 4.15Å; T23-N95 VanDerWaalsContact CA-OD1 3.31Å; T23-N95 WeakPolarHBondContact CA-OD1 3.44Å; T23-L192 WeakPolarHBondContact CB-O 3.45Å; T23-L192 HydrophobicContact CG2-CB 4.23Å; T23-V193 HydrophobicContact CG2-CG2 4.07Å; T23-T224 WeakPolarHBondContact O-CB 3.49Å; T23-T224 WeakPolarHBondContact O-CG2 3.4Å; T23-T224 PolarHBondContact O-OG1 3.42Å | ||
| 24 | T | 92.7 | Very high | 73.9 | Confident | 36 Ų | 36 | 48.7 Ų | 48.7 | 22% | 0.221 | 26% | 0.263 | C | S | . | . | trans | -90.5 | 118.8 | 171.8 | -59 | 0 | 0 | 0 | 0 | 109.9 | F56 N95 F338 | T24-F56 HydrophobicContact CG2-CD2 4.49Å; T24-N95 PolarHBondContact N-OD1 2.98Å; T24-N95 PolarHBondContact O-N 3.23Å; T24-F338 HydrophobicContact CG2-CE1 4.25Å; T24-F338 HydrophobicContact CG2-CZ 4.25Å | ||
| 25 | L | 94.6 | Very high | 76.4 | Confident | 0 Ų | 0 | 53.8 Ų | 53.8 | 0% | 0 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.6 | 130.7 | 172 | 170.2 | 76.2 | 0 | 0 | 0 | 108.8 | F56 M57 L79 V92 L94 Y195 V226 | L25-F56 CarbonylContact O-C 3.53Å; L25-F56 VanDerWaalsContact O-CA 3.23Å; L25-F56 WeakPolarHBondContact O-CA 3.35Å; L25-M57 HydrophobicContact CB-CB 4.19Å; L25-M57 HydrophobicContact CD2-CB 4.25Å; L25-M57 HydrophobicContact CD2-SD 3.8Å; L25-M57 PolarHBondContact N-O 2.9Å; L25-M57 PolarHBondContact O-N 2.71Å; L25-L79 HydrophobicContact CD2-CB 4.35Å; L25-L79 HydrophobicContact CD2-CD1 4.15Å; L25-L79 HydrophobicContact CD2-CD2 4.27Å; L25-L79 HydrophobicContact CD2-CG 4.48Å; L25-V92 HydrophobicContact CD1-CG1 3.35Å; L25-L94 HydrophobicContact CB-CD2 4.01Å; L25-L94 HydrophobicContact CD1-CD2 3.43Å; L25-L94 VanDerWaalsContact CD1-CD2 3.43Å; L25-L94 HydrophobicContact CG-CD2 4.34Å; L25-Y195 WeakPolarHBondContact CD1-OH 3.38Å; L25-Y195 HydrophobicContact CD2-CE1 4.03Å; L25-Y195 WeakPolarHBondContact CD2-OH 3.37Å; L25-V226 HydrophobicContact CD2-CG2 4.22Å |
| 26 | S | 94.8 | Very high | 78.4 | Confident | 1 Ų | 1 | 50.1 Ų | 50.1 | 1% | 0.007 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.4 | 143.9 | 168.3 | 63.2 | 0 | 0 | 0 | 0 | 110.8 | H28 G55 V92 L93 | S26-H28 PolarHBondContact OG-NE2 3.24Å; S26-G55 WeakPolarHBondContact CA-O 3.48Å; S26-V92 CarbonylContact O-C 3.45Å; S26-V92 WeakPolarHBondContact O-CA 3.39Å; S26-L93 PolarHBondContact N-O 2.76Å; S26-L93 PolarHBondContact O-N 3.44Å |
| 27 | F | 95.3 | Very high | 79.9 | Confident | 0 Ų | 0 | 47.9 Ų | 47.9 | 0% | 0 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.8 | 137.6 | 179.9 | 55.6 | -88.4 | 0 | 0 | 0 | 109.5 | V30 L53 S54 G55 M57 L79 V92 M251 | F27-V30 HydrophobicContact CB-CG2 3.9Å; F27-V30 HydrophobicContact CD2-CG2 4.44Å; F27-L53 HydrophobicContact CE2-CB 4.26Å; F27-S54 VanDerWaalsContact CE2-C 3.41Å; F27-S54 CarbonylContact O-C 3.57Å; F27-S54 VanDerWaalsContact O-CA 3.25Å; F27-S54 WeakPolarHBondContact O-CA 3.19Å; F27-G55 VanDerWaalsContact CD1-O 3.23Å; F27-G55 WeakPolarHBondContact CD1-O 3.5Å; F27-G55 VanDerWaalsContact CE1-C 3.46Å; F27-G55 WeakPolarHBondContact CE1-O 3.31Å; F27-G55 VanDerWaalsContact CZ-CA 3.46Å; F27-G55 PolarHBondContact N-O 3.43Å; F27-G55 PolarHBondContact O-N 2.86Å; F27-M57 HydrophobicContact CE1-CE 4.04Å; F27-M57 HydrophobicContact CE1-CG 4.47Å; F27-M57 HydrophobicContact CE1-SD 4.38Å; F27-M57 HydrophobicContact CZ-CE 4.47Å; F27-L79 HydrophobicContact CB-CD2 3.65Å; F27-L79 HydrophobicContact CD1-CD2 3.6Å; F27-L79 HydrophobicContact CE1-CD2 4.38Å; F27-L79 HydrophobicContact CG-CD2 3.68Å; F27-V92 HydrophobicContact CB-CG2 4.06Å; F27-M251 HydrophobicContact CE2-CE 3.7Å; F27-M251 HydrophobicContact CZ-CE 3.87Å |
| 28 | H | 94.2 | Very high | 81.2 | Confident | 9 Ų | 9 | 49.2 Ų | 49.2 | 4% | 0.042 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132 | 121.4 | -166.7 | -58.5 | -103 | 0 | 0 | 0 | 109.4 | S26 V30 G90 Y91 L339 | S26-H28 PolarHBondContact OG-NE2 3.24Å; H28-V30 VanDerWaalsContact C-N 3.25Å; H28-V30 PolarHBondContact O-N 2.92Å; H28-G90 WeakPolarHBondContact O-CA 3.4Å; H28-Y91 HydrophobicContact CB-CD1 4.35Å; H28-Y91 HydrophobicContact CB-CD2 4.04Å; H28-Y91 HydrophobicContact CB-CE1 3.93Å; H28-Y91 HydrophobicContact CB-CE2 3.59Å; H28-Y91 HydrophobicContact CB-CG 4.4Å; H28-Y91 AromaticContact CD2-CD2 3.86Å; H28-Y91 AromaticContact CD2-CE2 3.41Å; H28-Y91 VanDerWaalsContact CD2-CE2 3.41Å; H28-Y91 WeakPolarHBondContact CD2-CE2 3.37Å; H28-Y91 AromaticContact CG-CE2 3.46Å; H28-Y91 VanDerWaalsContact CG-CE2 3.46Å; H28-Y91 AromaticContact CG-CZ 3.73Å; H28-Y91 PolarHBondContact N-O 2.79Å; H28-Y91 PolarHBondContact O-N 3.17Å; H28-L339 VanDerWaalsContact CE1-CD2 3.41Å; H28-L339 WeakPolarHBondContact CE1-CD2 3.5Å; H28-L339 PolarHBondContact CE1-O 2.94Å |
| 29 | H | 93.7 | Very high | 82 | Confident | 88 Ų | 88 | 51.5 Ų | 51.5 | 41% | 0.407 | 26% | 0.26 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 52.2 | 40.2 | 174.9 | -60.1 | -68.7 | 0 | 0 | 0 | 114.5 | S31 D52 L53 S54 G90 | H29-S31 PolarHBondContact O-N 2.91Å; H29-D52 WeakPolarHBondContact CA-OD1 3.44Å; H29-D52 VanDerWaalsContact CB-OD1 3.22Å; H29-D52 WeakPolarHBondContact CB-OD1 3.45Å; H29-D52 IonicContact CE1-OD1 2.64Å; H29-D52 IonicContact CG-OD1 3.65Å; H29-D52 IonicContact ND1-OD1 3.66Å; H29-D52 PolarHBondContact ND1-OD1 3.22Å; H29-D52 IonicContact ND1-OD2 2.68Å; H29-L53 PolarHBondContact N-O 2.85Å; H29-S54 PolarHBondContact N-OG 3.03Å; H29-G90 VanDerWaalsContact O-CA 3.31Å; H29-G90 WeakPolarHBondContact O-CA 3.37Å |
| 30 | V | 94 | Very high | 82.5 | Confident | 0 Ų | 0 | 50.5 Ų | 50.5 | 0% | 0 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.1 | 115.2 | -174.7 | 173.4 | 0 | 0 | 0 | 0 | 110.2 | F27 H28 D52 L53 V78 T89 V92 | F27-V30 HydrophobicContact CB-CG2 3.9Å; F27-V30 HydrophobicContact CD2-CG2 4.44Å; H28-V30 VanDerWaalsContact C-N 3.25Å; H28-V30 PolarHBondContact O-N 2.92Å; V30-D52 PolarHBondContact O-N 2.77Å; V30-L53 HydrophobicContact CB-CB 4.36Å; V30-L53 WeakPolarHBondContact CB-O 3.5Å; V30-L53 PolarHBondContact N-O 2.89Å; V30-L53 PolarHBondContact O-N 2.87Å; V30-V78 HydrophobicContact CG1-CB 4.49Å; V30-V78 HydrophobicContact CG1-CG1 3.54Å; V30-T89 WeakPolarHBondContact CA-O 3.38Å; V30-V92 HydrophobicContact CG2-CG2 4.35Å |
| 31 | S | 94.7 | Very high | 82.6 | Confident | 10 Ų | 10 | 56.5 Ų | 56.5 | 7% | 0.07 | 31% | 0.311 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.4 | 152 | 167.7 | -46.3 | 0 | 0 | 0 | 0 | 111 | H29 L50 D52 L88 T89 | H29-S31 PolarHBondContact O-N 2.91Å; S31-L50 VanDerWaalsContact CA-O 3.28Å; S31-L50 WeakPolarHBondContact CA-O 3.44Å; S31-L50 VanDerWaalsContact CB-O 3.29Å; S31-L50 WeakPolarHBondContact CB-O 3.47Å; S31-D52 PolarHBondContact OG-N 3.41Å; S31-L88 WeakPolarHBondContact O-CA 3.47Å; S31-T89 WeakPolarHBondContact CB-OG1 3.44Å; S31-T89 PolarHBondContact N-O 3.18Å; S31-T89 VanDerWaalsContact N-O 3.14Å; S31-T89 PolarHBondContact O-N 3.19Å |
| 32 | C | 93.1 | Very high | 82.4 | Confident | 0 Ų | 0 | 56.3 Ų | 56.3 | 0% | 0 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.8 | 125 | -179.9 | -174.7 | 0 | 0 | 0 | 0 | 111 | V49 L50 T74 Q87 L88 | C32-V49 PolarHBondContact O-N 2.83Å; C32-L50 HydrophobicContact CB-CB 3.97Å; C32-L50 HydrophobicContact CB-CD1 3.99Å; C32-L50 HydrophobicContact CB-CG 4.08Å; C32-L50 PolarHBondContact N-O 3.03Å; C32-L50 PolarHBondContact O-N 2.85Å; C32-T74 HydrophobicContact CB-CG2 4.47Å; C32-Q87 WeakPolarHBondContact CA-O 3.39Å; C32-L88 HydrophobicContact CB-CD1 4.37Å |
| 33 | N | 91.2 | Very high | 81.7 | Confident | 69 Ų | 69 | 58.8 Ų | 58.8 | 37% | 0.369 | 33% | 0.332 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.7 | 123.6 | 176.6 | -66.1 | -12 | 0 | 0 | 0 | 109.4 | I47 K48 Q87 | N33-I47 WeakPolarHBondContact CA-O 3.49Å; N33-K48 VanDerWaalsContact OD1-CG 3.31Å; N33-K48 WeakPolarHBondContact OD1-CG 3.4Å; N33-Q87 PolarHBondContact N-O 3.41Å; N33-Q87 WeakPolarHBondContact O-CB 3.33Å; N33-Q87 WeakPolarHBondContact O-CG 3.45Å |
| 34 | V | 86.1 | Confident | 80.9 | Confident | 34 Ų | 34 | 62.5 Ų | 62.5 | 21% | 0.206 | 36% | 0.356 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.1 | 127.9 | 177.1 | -179.4 | 0 | 0 | 0 | 0 | 108.6 | S46 I47 V49 | V34-S46 WeakPolarHBondContact O-CA 3.32Å; V34-I47 PolarHBondContact N-O 3.28Å; V34-I47 PolarHBondContact O-N 3Å; V34-V49 HydrophobicContact CB-CG2 4.12Å; V34-V49 HydrophobicContact CG2-CG2 3.63Å |
| 35 | K | 82.3 | Confident | 80 | Confident | 159 Ų | 159 | 63.4 Ų | 63.4 | 69% | 0.691 | 37% | 0.365 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -80.5 | 122.9 | 171.7 | -64.8 | -174.1 | 179.8 | -175 | 0 | 108.8 | S45 | K35-S45 CarbonylContact C-O 3.56Å; K35-S45 WeakPolarHBondContact CA-O 3.45Å |
| 36 | T | 75 | Confident | 79.3 | Confident | 47 Ų | 47 | 67.5 Ų | 67.5 | 29% | 0.288 | 39% | 0.393 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.1 | 127.6 | 173.8 | 41.9 | 0 | 0 | 0 | 0 | 109.3 | S45 I47 | T36-S45 PolarHBondContact N-O 3.25Å; T36-S45 PolarHBondContact O-N 3.43Å; T36-S45 PolarHBondContact O-OG 2.99Å; T36-S45 PolarHBondContact OG1-O 3.38Å; T36-S45 VanDerWaalsContact OG1-O 3.13Å; T36-S45 PolarHBondContact OG1-OG 3.47Å; T36-I47 HydrophobicContact CG2-CD1 3.96Å |
| 37 | Q | 64.3 | Low | 78.8 | Confident | 112 Ų | 112 | 72 Ų | 72 | 52% | 0.523 | 42% | 0.416 | S | S | . | . | trans | -128.1 | 114.2 | 175.7 | -147.8 | 176.4 | 3.9 | 0 | 0 | 106.6 | S42 P44 | Q37-S42 VanDerWaalsContact CG-O 3.24Å; Q37-S42 WeakPolarHBondContact CG-O 3.29Å; Q37-S42 PolarHBondContact NE2-O 3.33Å; Q37-P44 HydrophobicContact CG-CB 4.37Å | ||
| 38 | I | 60.9 | Low | 78.5 | Confident | 150 Ų | 150 | 77.4 Ų | 77.4 | 77% | 0.769 | 44% | 0.44 | S | S | * | . | S | Bend | trans | -78.8 | -43.6 | -171.9 | -60.3 | 172.4 | 0 | 0 | 0 | 109.5 | ||
| 39 | L | 56.8 | Low | 78.4 | Confident | 122 Ų | 122 | 78.9 Ų | 78.9 | 64% | 0.639 | 45% | 0.449 | S | S | * | . | S | Bend | trans | -126.2 | 151.2 | 173.3 | -74 | 120.9 | 0 | 0 | 0 | 110.2 | C41 S42 | L39-C41 PolarHBondContact O-N 3.48Å; L39-S42 PolarHBondContact N-OG 2.9Å; L39-S42 PolarHBondContact O-N 3.34Å; L39-S42 PolarHBondContact O-OG 3.39Å |
| 40 | S | 63.1 | Low | 78.4 | Confident | 117 Ų | 117 | 74.7 Ų | 74.7 | 82% | 0.818 | 43% | 0.43 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.3 | -28.8 | 177.9 | -170 | 0 | 0 | 0 | 0 | 113.4 | ||
| 41 | C | 65.4 | Low | 78.4 | Confident | 134 Ų | 134 | 75.7 Ų | 75.7 | 91% | 0.905 | 44% | 0.437 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -94.4 | -2.4 | 179.1 | -65.4 | 0 | 0 | 0 | 0 | 114.5 | L39 | L39-C41 PolarHBondContact O-N 3.48Š|
| 42 | S | 67.4 | Low | 78.3 | Confident | 38 Ų | 38 | 79.2 Ų | 79.2 | 27% | 0.266 | 46% | 0.455 | S | S | . | . | S | Bend | trans | -89.9 | 142.7 | 178.6 | 52.7 | 0 | 0 | 0 | 0 | 111.1 | Q37 L39 | Q37-S42 VanDerWaalsContact CG-O 3.24Å; Q37-S42 WeakPolarHBondContact CG-O 3.29Å; Q37-S42 PolarHBondContact NE2-O 3.33Å; L39-S42 PolarHBondContact N-OG 2.9Å; L39-S42 PolarHBondContact O-N 3.34Å; L39-S42 PolarHBondContact O-OG 3.39Å |
| 43 | S | 68.3 | Low | 78.4 | Confident | 108 Ų | 108 | 79.3 Ų | 79.3 | 76% | 0.755 | 46% | 0.455 | S | S | * | . | P | Polyproline II helix | trans | -58.2 | 131.3 | 177.1 | -29.7 | 0 | 0 | 0 | 0 | 109.6 | S45 | S43-S45 PolarHBondContact O-N 2.9Å; S43-S45 VanDerWaalsContact O-N 3.15Å |
| 44 | P | 70.2 | Confident | 78.6 | Confident | 78 Ų | 78 | 76.2 Ų | 76.2 | 51% | 0.506 | 44% | 0.439 | S | S | . | . | P | Polyproline II helix | trans | -62.6 | 120.8 | 178.7 | 23.9 | -31.5 | 0 | 0 | 0 | 109.8 | Q37 | Q37-P44 HydrophobicContact CG-CB 4.37Š|
| 45 | S | 75.4 | Confident | 79.1 | Confident | 56 Ų | 56 | 74.6 Ų | 74.6 | 39% | 0.392 | 43% | 0.429 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.7 | 140.6 | 171.8 | 50.5 | 0 | 0 | 0 | 0 | 109.2 | K35 T36 S43 | K35-S45 CarbonylContact C-O 3.56Å; K35-S45 WeakPolarHBondContact CA-O 3.45Å; T36-S45 PolarHBondContact N-O 3.25Å; T36-S45 PolarHBondContact O-N 3.43Å; T36-S45 PolarHBondContact O-OG 2.99Å; T36-S45 PolarHBondContact OG1-O 3.38Å; T36-S45 VanDerWaalsContact OG1-O 3.13Å; T36-S45 PolarHBondContact OG1-OG 3.47Å; S43-S45 PolarHBondContact O-N 2.9Å; S43-S45 VanDerWaalsContact O-N 3.15Å |
| 46 | S | 79.6 | Confident | 79.7 | Confident | 86 Ų | 86 | 68.4 Ų | 68.4 | 60% | 0.601 | 40% | 0.402 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -106.3 | 117.4 | 176 | 64.9 | 0 | 0 | 0 | 0 | 110.6 | V34 | V34-S46 WeakPolarHBondContact O-CA 3.32Å |
| 47 | I | 84.8 | Confident | 80.7 | Confident | 96 Ų | 96 | 66.1 Ų | 66.1 | 49% | 0.492 | 39% | 0.389 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.8 | 125.1 | 174.9 | -58.3 | 176.1 | 0 | 0 | 0 | 108.3 | N33 V34 T36 V49 | N33-I47 WeakPolarHBondContact CA-O 3.49Å; V34-I47 PolarHBondContact N-O 3.28Å; V34-I47 PolarHBondContact O-N 3Å; T36-I47 HydrophobicContact CG2-CD1 3.96Å; I47-V49 PolarHBondContact O-N 3.28Å |
| 48 | K | 87.7 | Confident | 82.2 | Confident | 113 Ų | 113 | 61.6 Ų | 61.6 | 49% | 0.491 | 37% | 0.369 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.6 | 108.4 | 173.3 | -171.1 | 168.4 | -168.6 | -166.2 | 0 | 109.3 | N33 L50 S51 | N33-K48 VanDerWaalsContact OD1-CG 3.31Å; N33-K48 WeakPolarHBondContact OD1-CG 3.4Å; K48-L50 WeakPolarHBondContact CE-O 3.46Å; K48-L50 WeakPolarHBondContact CG-O 3.31Å; K48-S51 VanDerWaalsContact CD-OG 3.29Å; K48-S51 WeakPolarHBondContact CD-OG 3.25Å; K48-S51 WeakPolarHBondContact CE-OG 3.32Å; K48-S51 WeakPolarHBondContact CG-OG 3.32Å |
| 49 | V | 92 | Very high | 83.8 | Confident | 39 Ų | 39 | 56.7 Ų | 56.7 | 24% | 0.236 | 35% | 0.347 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.4 | -37 | -176.4 | -179.5 | 0 | 0 | 0 | 0 | 111.5 | C32 V34 I47 T74 G249 | C32-V49 PolarHBondContact O-N 2.83Å; V34-V49 HydrophobicContact CB-CG2 4.12Å; V34-V49 HydrophobicContact CG2-CG2 3.63Å; I47-V49 PolarHBondContact O-N 3.28Å; V49-T74 HydrophobicContact CG1-CG2 4.03Å; V49-G249 WeakPolarHBondContact O-CA 3.33Å |
| 50 | L | 94.2 | Very high | 85.6 | Confident | 0 Ų | 0 | 51.1 Ų | 51.1 | 0% | 0 | 32% | 0.319 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.6 | 140.1 | 176.7 | -57 | 175.1 | 0 | 0 | 0 | 109.5 | S31 C32 K48 L53 T74 L75 V78 G249 | S31-L50 VanDerWaalsContact CA-O 3.28Å; S31-L50 WeakPolarHBondContact CA-O 3.44Å; S31-L50 VanDerWaalsContact CB-O 3.29Å; S31-L50 WeakPolarHBondContact CB-O 3.47Å; C32-L50 HydrophobicContact CB-CB 3.97Å; C32-L50 HydrophobicContact CB-CD1 3.99Å; C32-L50 HydrophobicContact CB-CG 4.08Å; C32-L50 PolarHBondContact N-O 3.03Å; C32-L50 PolarHBondContact O-N 2.85Å; K48-L50 WeakPolarHBondContact CE-O 3.46Å; K48-L50 WeakPolarHBondContact CG-O 3.31Å; L50-L53 HydrophobicContact CB-CD1 3.92Å; L50-L53 HydrophobicContact CD1-CD1 4.22Å; L50-L53 HydrophobicContact CD2-CD1 3.78Å; L50-L53 HydrophobicContact CG-CD1 4.18Å; L50-T74 HydrophobicContact CD1-CG2 3.88Å; L50-T74 HydrophobicContact CG-CG2 4.16Å; L50-L75 HydrophobicContact CD1-CB 4.19Å; L50-L75 HydrophobicContact CD1-CD1 4.38Å; L50-L75 HydrophobicContact CD2-CB 4.47Å; L50-V78 HydrophobicContact CD1-CG2 4.2Å; L50-G249 WeakPolarHBondContact CA-O 3.46Å |
| 51 | S | 93.5 | Very high | 87.2 | Confident | 22 Ų | 22 | 45.6 Ų | 45.6 | 15% | 0.154 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.6 | 107.3 | -175.4 | -66.9 | 0 | 0 | 0 | 0 | 111.7 | K48 L53 G249 | K48-S51 VanDerWaalsContact CD-OG 3.29Å; K48-S51 WeakPolarHBondContact CD-OG 3.25Å; K48-S51 WeakPolarHBondContact CE-OG 3.32Å; K48-S51 WeakPolarHBondContact CG-OG 3.32Å; S51-L53 PolarHBondContact O-N 3.03Å; S51-G249 PolarHBondContact N-O 3.12Å |
| 52 | D | 93.1 | Very high | 88.8 | Confident | 84 Ų | 84 | 39.3 Ų | 39.3 | 45% | 0.449 | 24% | 0.238 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | 50.7 | 45.8 | 168.6 | -160.9 | 36.5 | 0 | 0 | 0 | 115.6 | H29 V30 S31 | H29-D52 WeakPolarHBondContact CA-OD1 3.44Å; H29-D52 VanDerWaalsContact CB-OD1 3.22Å; H29-D52 WeakPolarHBondContact CB-OD1 3.45Å; H29-D52 IonicContact CE1-OD1 2.64Å; H29-D52 IonicContact CG-OD1 3.65Å; H29-D52 IonicContact ND1-OD1 3.66Å; H29-D52 PolarHBondContact ND1-OD1 3.22Å; H29-D52 IonicContact ND1-OD2 2.68Å; V30-D52 PolarHBondContact O-N 2.77Å; S31-D52 PolarHBondContact OG-N 3.41Å |
| 53 | L | 95.4 | Very high | 90.2 | Very high | 1 Ų | 1 | 37.5 Ų | 37.5 | 1% | 0.005 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -76.8 | 128.5 | -179.8 | -62.8 | 167.8 | 0 | 0 | 0 | 110.5 | F27 H29 V30 L50 S51 L75 M251 | F27-L53 HydrophobicContact CE2-CB 4.26Å; H29-L53 PolarHBondContact N-O 2.85Å; V30-L53 HydrophobicContact CB-CB 4.36Å; V30-L53 WeakPolarHBondContact CB-O 3.5Å; V30-L53 PolarHBondContact N-O 2.89Å; V30-L53 PolarHBondContact O-N 2.87Å; L50-L53 HydrophobicContact CB-CD1 3.92Å; L50-L53 HydrophobicContact CD1-CD1 4.22Å; L50-L53 HydrophobicContact CD2-CD1 3.78Å; L50-L53 HydrophobicContact CG-CD1 4.18Å; S51-L53 PolarHBondContact O-N 3.03Å; L53-L75 HydrophobicContact CD1-CD1 3.94Å; L53-L75 HydrophobicContact CD1-CD2 4.39Å; L53-M251 HydrophobicContact CB-CE 4.46Å; L53-M251 HydrophobicContact CD2-CB 3.68Å; L53-M251 HydrophobicContact CD2-CE 4.19Å; L53-M251 VanDerWaalsContact CD2-N 3.34Å |
| 54 | S | 95.4 | Very high | 91.6 | Very high | 5 Ų | 5 | 32.3 Ų | 32.3 | 4% | 0.035 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.1 | 139.3 | 173.3 | -52.7 | 0 | 0 | 0 | 0 | 111.1 | F27 H29 M251 | F27-S54 VanDerWaalsContact CE2-C 3.41Å; F27-S54 CarbonylContact O-C 3.57Å; F27-S54 VanDerWaalsContact O-CA 3.25Å; F27-S54 WeakPolarHBondContact O-CA 3.19Å; H29-S54 PolarHBondContact N-OG 3.03Å; S54-M251 WeakPolarHBondContact O-CE 3.45Å; S54-M251 VanDerWaalsContact O-SD 3.34Å |
| 55 | G | 95.7 | Very high | 92.8 | Very high | 0 Ų | 0 | 28.7 Ų | 28.7 | 0% | 0 | 17% | 0.165 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 176.5 | 176.1 | -176.1 | 0 | 0 | 0 | 0 | 0 | 113.1 | S26 F27 L339 | S26-G55 WeakPolarHBondContact CA-O 3.48Å; F27-G55 VanDerWaalsContact CD1-O 3.23Å; F27-G55 WeakPolarHBondContact CD1-O 3.5Å; F27-G55 VanDerWaalsContact CE1-C 3.46Å; F27-G55 WeakPolarHBondContact CE1-O 3.31Å; F27-G55 VanDerWaalsContact CZ-CA 3.46Å; F27-G55 PolarHBondContact N-O 3.43Å; F27-G55 PolarHBondContact O-N 2.86Å; G55-L339 WeakPolarHBondContact O-CD2 3.48Å |
| 56 | F | 95.6 | Very high | 93.7 | Very high | 28 Ų | 28 | 26 Ų | 26 | 12% | 0.123 | 15% | 0.146 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.5 | 150.4 | 178.4 | 74.2 | -85 | 0 | 0 | 0 | 112.4 | T24 L25 P58 H254 F338 L339 | T24-F56 HydrophobicContact CG2-CD2 4.49Å; L25-F56 CarbonylContact O-C 3.53Å; L25-F56 VanDerWaalsContact O-CA 3.23Å; L25-F56 WeakPolarHBondContact O-CA 3.35Å; F56-P58 HydrophobicContact CD2-CG 4.49Å; F56-P58 HydrophobicContact CE2-CG 4.3Å; F56-H254 PolarHBondContact N-NE2 3.41Å; F56-H254 VanDerWaalsContact N-NE2 3.1Å; F56-H254 PolarHBondContact O-CE1 3.08Å; F56-H254 PolarHBondContact O-NE2 3.27Å; F56-F338 HydrophobicContact CB-CD1 4Å; F56-F338 HydrophobicContact CB-CE1 3.84Å; F56-F338 AromaticContact CD1-CD1 3.55Å; F56-F338 HydrophobicContact CD1-CD1 3.55Å; F56-F338 HydrophobicContact CD1-CE1 4.08Å; F56-F338 HydrophobicContact CD1-CG 4.3Å; F56-F338 AromaticContact CD2-CD1 3.91Å; F56-F338 HydrophobicContact CD2-CD1 3.91Å; F56-F338 AromaticContact CD2-CE1 3.59Å; F56-F338 HydrophobicContact CD2-CE1 3.59Å; F56-F338 HydrophobicContact CD2-CZ 4.25Å; F56-F338 HydrophobicContact CE1-CB 4.39Å; F56-F338 AromaticContact CE1-CD1 3.92Å; F56-F338 HydrophobicContact CE1-CD1 3.92Å; F56-F338 HydrophobicContact CE1-CG 4.24Å; F56-F338 HydrophobicContact CE2-CD1 4.26Å; F56-F338 HydrophobicContact CE2-CE1 4.13Å; F56-F338 AromaticContact CG-CD1 3.54Å; F56-F338 HydrophobicContact CG-CD1 3.54Å; F56-F338 AromaticContact CG-CE1 3.56Å; F56-F338 HydrophobicContact CG-CE1 3.56Å; F56-F338 HydrophobicContact CZ-CD1 4.26Å; F56-F338 HydrophobicContact CZ-CG 4.47Å; F56-L339 HydrophobicContact CB-CD2 4.41Å |
| 57 | M | 96.3 | Very high | 94.3 | Very high | 0 Ų | 0 | 22 Ų | 22 | 0% | 0 | 12% | 0.118 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.7 | 97.6 | -175.9 | -69.2 | 172.9 | 176.9 | 0 | 0 | 107.9 | L25 F27 N62 I64 L79 V226 | L25-M57 HydrophobicContact CB-CB 4.19Å; L25-M57 HydrophobicContact CD2-CB 4.25Å; L25-M57 HydrophobicContact CD2-SD 3.8Å; L25-M57 PolarHBondContact N-O 2.9Å; L25-M57 PolarHBondContact O-N 2.71Å; F27-M57 HydrophobicContact CE1-CE 4.04Å; F27-M57 HydrophobicContact CE1-CG 4.47Å; F27-M57 HydrophobicContact CE1-SD 4.38Å; F27-M57 HydrophobicContact CZ-CE 4.47Å; M57-N62 WeakPolarHBondContact CA-OD1 3.39Å; M57-N62 HydrophobicContact CB-CB 4.17Å; M57-N62 HydrophobicContact CG-CB 3.95Å; M57-N62 HydrophobicContact SD-CB 4.22Å; M57-I64 HydrophobicContact CE-CD1 4.07Å; M57-I64 HydrophobicContact CE-CG1 4.09Å; M57-L79 HydrophobicContact CE-CD1 4.2Å; M57-L79 HydrophobicContact SD-CD1 4.19Å; M57-V226 HydrophobicContact CB-CG2 4.28Å; M57-V226 HydrophobicContact CE-CG1 3.95Å; M57-V226 HydrophobicContact CG-CG2 4.48Å; M57-V226 HydrophobicContact SD-CB 4.13Å; M57-V226 HydrophobicContact SD-CG1 3.42Å; M57-V226 WeakPolarHBondContact SD-CG1 3.47Å; M57-V226 HydrophobicContact SD-CG2 3.52Å; M57-V226 VanDerWaalsContact SD-CG2 3.52Å |
| 58 | P | 94.7 | Very high | 94.6 | Very high | 16 Ų | 16 | 22.4 Ų | 22.4 | 10% | 0.104 | 13% | 0.125 | C | C | . | . | trans | -73.9 | 172.5 | 176.1 | 33.7 | -33.3 | 0 | 0 | 0 | 111.2 | F56 N62 | F56-P58 HydrophobicContact CD2-CG 4.49Å; F56-P58 HydrophobicContact CE2-CG 4.3Å; P58-N62 PolarHBondContact O-ND2 2.93Å | ||
| 59 | P | 95.1 | Very high | 94.7 | Very high | 47 Ų | 47 | 20.5 Ų | 20.5 | 31% | 0.305 | 14% | 0.138 | S | C | . | . | S | Bend | trans | -50.3 | 139.6 | 169.3 | -24.3 | 33.1 | 0 | 0 | 0 | 111.8 | P22 T224 | P22-P59 HydrophobicContact CB-CB 4.3Å; P22-P59 HydrophobicContact CB-CG 3.55Å; P59-T224 WeakPolarHBondContact CA-OG1 3.48Å |
| 60 | G | 95.5 | Very high | 94.6 | Very high | 6 Ų | 6 | 18.8 Ų | 18.8 | 6% | 0.062 | 13% | 0.128 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 123.8 | -169.9 | -170 | 0 | 0 | 0 | 0 | 0 | 113.2 | N62 R223 I225 D241 | G60-N62 PolarHBondContact O-ND2 3.1Å; G60-R223 PolarHBondContact N-O 3.34Å; G60-R223 VanDerWaalsContact N-O 3.08Å; G60-I225 PolarHBondContact O-N 3.11Å; G60-D241 VanDerWaalsContact CA-OD2 3.31Å; G60-D241 WeakPolarHBondContact CA-OD2 3.36Å |
| 61 | M | 96.5 | Very high | 94.5 | Very high | 0 Ų | 0 | 19.1 Ų | 19.1 | 0% | 0 | 13% | 0.131 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.7 | 109.6 | 177 | -80.3 | -171.3 | 57.9 | 0 | 0 | 111.9 | I212 R216 A219 F227 L239 F240 D241 R242 | M61-I212 HydrophobicContact CE-CG2 3.85Å; M61-R216 VanDerWaalsContact SD-CA 3.54Å; M61-R216 HydrophobicContact SD-CB 3.74Å; M61-R216 HydrophobicContact SD-CG 4.36Å; M61-A219 HydrophobicContact CG-CB 3.7Å; M61-F227 HydrophobicContact CB-CE1 4.22Å; M61-F227 HydrophobicContact CE-CE1 3.55Å; M61-F227 HydrophobicContact CE-CZ 3.4Å; M61-F227 VanDerWaalsContact CE-CZ 3.4Å; M61-F227 HydrophobicContact CG-CE1 4.38Å; M61-L239 HydrophobicContact CE-CB 4.27Å; M61-L239 HydrophobicContact SD-CB 4.33Å; M61-F240 HydrophobicContact CE-CD1 3.81Å; M61-F240 HydrophobicContact CE-CE1 4.12Å; M61-D241 PolarHBondContact N-OD2 2.83Å; M61-D241 PolarHBondContact O-N 3.48Å; M61-R242 PolarHBondContact O-N 2.87Å; M61-R242 VanDerWaalsContact O-N 3.12Å |
| 62 | N | 98 | Very high | 94.6 | Very high | 2 Ų | 2 | 18.5 Ų | 18.5 | 1% | 0.011 | 13% | 0.126 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.2 | 109.9 | 177.1 | -56.2 | -88.7 | 0 | 0 | 0 | 110 | M57 P58 G60 I225 V226 F227 | M57-N62 WeakPolarHBondContact CA-OD1 3.39Å; M57-N62 HydrophobicContact CB-CB 4.17Å; M57-N62 HydrophobicContact CG-CB 3.95Å; M57-N62 HydrophobicContact SD-CB 4.22Å; P58-N62 PolarHBondContact O-ND2 2.93Å; G60-N62 PolarHBondContact O-ND2 3.1Å; N62-I225 WeakPolarHBondContact CB-O 3.43Å; N62-I225 PolarHBondContact N-O 2.83Å; N62-I225 PolarHBondContact ND2-O 2.97Å; N62-I225 VanDerWaalsContact ND2-O 3.16Å; N62-V226 HydrophobicContact CB-CG2 4.25Å; N62-V226 WeakPolarHBondContact O-CA 3.4Å; N62-F227 PolarHBondContact O-N 2.67Å |
| 63 | A | 97.8 | Very high | 94.6 | Very high | 0 Ų | 0 | 16 Ų | 16 | 0% | 0 | 12% | 0.115 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.5 | 143.2 | -179 | 0 | 0 | 0 | 0 | 0 | 112.2 | F227 F240 R242 L243 T244 | A63-F227 CarbonylContact C-O 3.47Å; A63-F227 WeakPolarHBondContact CA-O 3.49Å; A63-F227 HydrophobicContact CB-CE1 4.42Å; A63-F227 HydrophobicContact CB-CE2 3.94Å; A63-F227 HydrophobicContact CB-CZ 3.79Å; A63-F240 HydrophobicContact CB-CB 4.33Å; A63-F240 HydrophobicContact CB-CD1 3.98Å; A63-F240 HydrophobicContact CB-CD2 3.61Å; A63-F240 HydrophobicContact CB-CE1 4.15Å; A63-F240 HydrophobicContact CB-CE2 3.8Å; A63-F240 HydrophobicContact CB-CG 3.7Å; A63-F240 HydrophobicContact CB-CZ 4.06Å; A63-R242 PolarHBondContact N-O 2.91Å; A63-L243 HydrophobicContact CB-CD1 4.17Å; A63-T244 PolarHBondContact O-N 2.83Å |
| 64 | I | 97.7 | Very high | 94.6 | Very high | 0 Ų | 0 | 17.4 Ų | 17.4 | 0% | 0 | 12% | 0.124 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.1 | 118.5 | 172.5 | -55.3 | 169.6 | 0 | 0 | 0 | 108.7 | M57 K72 L75 L76 V226 F227 S228 I229 T244 I246 | M57-I64 HydrophobicContact CE-CD1 4.07Å; M57-I64 HydrophobicContact CE-CG1 4.09Å; I64-K72 HydrophobicContact CG2-CB 4.36Å; I64-K72 HydrophobicContact CG2-CG 4.32Å; I64-L75 HydrophobicContact CD1-CD2 4.18Å; I64-L76 HydrophobicContact CD1-CD2 3.86Å; I64-L76 HydrophobicContact CD1-CG 4.09Å; I64-V226 HydrophobicContact CD1-CG1 3.95Å; I64-F227 PolarHBondContact N-O 3.42Å; I64-S228 WeakPolarHBondContact O-CA 3.04Å; I64-I229 PolarHBondContact O-N 3.08Å; I64-T244 CarbonylContact C-O 2.85Å; I64-T244 WeakPolarHBondContact CA-O 3.49Å; I64-I246 HydrophobicContact CG2-CD1 3.64Å; I64-I246 HydrophobicContact CG2-CG1 4.3Å |
| 65 | I | 96 | Very high | 94.6 | Very high | 1 Ų | 1 | 17.2 Ų | 17.2 | 1% | 0.005 | 12% | 0.122 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.4 | 152.5 | -179.9 | -58.8 | -175.8 | 0 | 0 | 0 | 109.9 | I229 P232 F240 L243 T244 I245 I246 M283 | I65-I229 HydrophobicContact CD1-CG2 3.99Å; I65-I229 HydrophobicContact CG1-CG2 3.66Å; I65-P232 HydrophobicContact CD1-CG 3.91Å; I65-F240 HydrophobicContact CD1-CE2 4.02Å; I65-L243 HydrophobicContact CB-CD1 4.22Å; I65-L243 HydrophobicContact CD1-CD1 3.54Å; I65-L243 HydrophobicContact CG1-CD1 3.69Å; I65-T244 PolarHBondContact N-O 3.33Å; I65-I245 WeakPolarHBondContact O-CA 3.26Å; I65-I246 PolarHBondContact O-N 2.91Å; I65-M283 HydrophobicContact CG2-SD 3.85Å |
| 66 | G | 93.7 | Very high | 94.6 | Very high | 0 Ų | 0 | 17.2 Ų | 17.2 | 0% | 0 | 12% | 0.122 | C | C | . | . | trans | 164.1 | 167.9 | 172.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | K72 I246 | G66-K72 PolarHBondContact O-NZ 3.34Å; G66-I246 WeakPolarHBondContact CA-O 3.39Å | ||
| 67 | P | 92.2 | Very high | 94.5 | Very high | 1 Ų | 1 | 16.2 Ų | 16.2 | 1% | 0.006 | 12% | 0.118 | C | C | . | . | trans | -57.1 | 159.9 | -179.9 | -25.9 | 34.6 | 0 | 0 | 0 | 113.4 | G69 C70 K72 L286 | P67-G69 PolarHBondContact O-N 3.28Å; P67-C70 WeakPolarHBondContact O-CB 3.46Å; P67-C70 PolarHBondContact O-N 3.19Å; P67-C70 PolarHBondContact O-SG 2.95Å; P67-K72 PolarHBondContact O-NZ 3.06Å; P67-L286 HydrophobicContact CG-CB 3.88Å; P67-L286 HydrophobicContact CG-CD1 4.29Å | ||
| 68 | T | 91.4 | Very high | 94.4 | Very high | 105 Ų | 105 | 16.3 Ų | 16.3 | 64% | 0.644 | 12% | 0.119 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -61.6 | 135.3 | 173 | -57.6 | 0 | 0 | 0 | 0 | 110.2 | C70 H230 | T68-C70 VanDerWaalsContact C-N 3.33Å; T68-C70 PolarHBondContact O-N 3.47Å; T68-H230 PolarHBondContact OG1-NE2 3.3Å |
| 69 | G | 88.3 | Confident | 94.4 | Very high | 74 Ų | 74 | 15.5 Ų | 15.5 | 76% | 0.763 | 11% | 0.114 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 77.9 | 4.7 | -177 | 0 | 0 | 0 | 0 | 0 | 115.9 | P67 G71 | P67-G69 PolarHBondContact O-N 3.28Å; G69-G71 VanDerWaalsContact C-N 3.27Å; G69-G71 PolarHBondContact O-N 3.3Å |
| 70 | C | 90.8 | Very high | 94.3 | Very high | 3 Ų | 3 | 13.4 Ų | 13.4 | 2% | 0.02 | 10% | 0.1 | C | C | . | . | S | Bend | trans | -77.1 | -7.6 | 179.4 | 76.6 | 0 | 0 | 0 | 0 | 115.1 | P67 T68 K72 I246 G249 | P67-C70 WeakPolarHBondContact O-CB 3.46Å; P67-C70 PolarHBondContact O-N 3.19Å; P67-C70 PolarHBondContact O-SG 2.95Å; T68-C70 VanDerWaalsContact C-N 3.33Å; T68-C70 PolarHBondContact O-N 3.47Å; C70-K72 VanDerWaalsContact SG-CG 3.51Å; C70-I246 PolarHBondContact SG-O 3.06Å; C70-G249 WeakPolarHBondContact O-CA 3.39Å; C70-G249 PolarHBondContact O-N 3.3Å; C70-G249 VanDerWaalsContact O-N 3.09Å |
| 71 | G | 92.4 | Very high | 94 | Very high | 7 Ų | 7 | 13.2 Ų | 13.2 | 7% | 0.072 | 10% | 0.098 | C | C | . | . | S | Bend | trans | 104.7 | 14.9 | 178.3 | 0 | 0 | 0 | 0 | 0 | 116.3 | G69 T74 L75 | G69-G71 VanDerWaalsContact C-N 3.27Å; G69-G71 PolarHBondContact O-N 3.3Å; G71-T74 WeakPolarHBondContact O-CB 3.42Å; G71-T74 PolarHBondContact O-N 3.01Å; G71-L75 PolarHBondContact O-N 3.04Å |
| 72 | K | 94.4 | Very high | 93.7 | Very high | 9 Ų | 9 | 14.4 Ų | 14.4 | 4% | 0.039 | 10% | 0.102 | C | C | . | . | H | α-helix | trans | -52.6 | -57.8 | 178.7 | -55.1 | -174.7 | -68.3 | -78.8 | 0 | 113.3 | I64 G66 P67 C70 T74 L75 L76 | I64-K72 HydrophobicContact CG2-CB 4.36Å; I64-K72 HydrophobicContact CG2-CG 4.32Å; G66-K72 PolarHBondContact O-NZ 3.34Å; P67-K72 PolarHBondContact O-NZ 3.06Å; C70-K72 VanDerWaalsContact SG-CG 3.51Å; K72-T74 VanDerWaalsContact C-N 3.29Å; K72-T74 PolarHBondContact O-N 3.24Å; K72-L75 PolarHBondContact O-N 3.4Å; K72-L75 VanDerWaalsContact O-N 3.17Å; K72-L76 PolarHBondContact O-N 2.81Å |
| 73 | S | 94.6 | Very high | 93.2 | Very high | 32 Ų | 32 | 15.2 Ų | 15.2 | 22% | 0.224 | 11% | 0.106 | C | C | . | . | H | α-helix | trans | -63.8 | -36.5 | 179.6 | -48.9 | 0 | 0 | 0 | 0 | 111.4 | L75 L76 D77 D197 | S73-L75 PolarHBondContact O-N 3.36Å; S73-L76 WeakPolarHBondContact O-CB 3.44Å; S73-L76 PolarHBondContact O-N 2.76Å; S73-D77 WeakPolarHBondContact O-CB 3.14Å; S73-D77 VanDerWaalsContact O-CG 3.31Å; S73-D77 PolarHBondContact O-N 3.03Å; S73-D197 WeakPolarHBondContact CB-OD1 3.31Å; S73-D197 VanDerWaalsContact CB-OD2 3.31Å; S73-D197 WeakPolarHBondContact CB-OD2 3.4Å; S73-D197 PolarHBondContact OG-OD1 3.14Å; S73-D197 PolarHBondContact OG-OD2 2.91Å |
| 74 | T | 94.4 | Very high | 92.6 | Very high | 30 Ų | 30 | 17.7 Ų | 17.7 | 18% | 0.184 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -61.5 | -44.7 | 173.8 | -49.2 | 0 | 0 | 0 | 0 | 111.2 | C32 V49 L50 G71 K72 D77 V78 | C32-T74 HydrophobicContact CB-CG2 4.47Å; V49-T74 HydrophobicContact CG1-CG2 4.03Å; L50-T74 HydrophobicContact CD1-CG2 3.88Å; L50-T74 HydrophobicContact CG-CG2 4.16Å; G71-T74 WeakPolarHBondContact O-CB 3.42Å; G71-T74 PolarHBondContact O-N 3.01Å; K72-T74 VanDerWaalsContact C-N 3.29Å; K72-T74 PolarHBondContact O-N 3.24Å; T74-D77 PolarHBondContact O-N 3.12Å; T74-V78 VanDerWaalsContact O-CG2 3.26Å; T74-V78 WeakPolarHBondContact O-CG2 3.3Å; T74-V78 PolarHBondContact O-N 2.93Å |
| 75 | L | 95.8 | Very high | 92 | Very high | 0 Ų | 0 | 20.5 Ų | 20.5 | 0% | 0 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -62.2 | -45.6 | 176.8 | 178.4 | 62.5 | 0 | 0 | 0 | 110.7 | L50 L53 I64 G71 K72 S73 D77 V78 L79 I246 | L50-L75 HydrophobicContact CD1-CB 4.19Å; L50-L75 HydrophobicContact CD1-CD1 4.38Å; L50-L75 HydrophobicContact CD2-CB 4.47Å; L53-L75 HydrophobicContact CD1-CD1 3.94Å; L53-L75 HydrophobicContact CD1-CD2 4.39Å; I64-L75 HydrophobicContact CD1-CD2 4.18Å; G71-L75 PolarHBondContact O-N 3.04Å; K72-L75 PolarHBondContact O-N 3.4Å; K72-L75 VanDerWaalsContact O-N 3.17Å; S73-L75 PolarHBondContact O-N 3.36Å; L75-D77 VanDerWaalsContact C-N 3.31Å; L75-D77 PolarHBondContact O-N 2.91Å; L75-V78 WeakPolarHBondContact O-CB 3.47Å; L75-V78 PolarHBondContact O-N 3.3Å; L75-V78 VanDerWaalsContact O-N 3.15Å; L75-L79 HydrophobicContact CD1-CD1 4.19Å; L75-L79 HydrophobicContact CD1-CD2 4.38Å; L75-L79 HydrophobicContact CD1-CG 4.03Å; L75-L79 HydrophobicContact CD2-CD1 4.46Å; L75-L79 HydrophobicContact CG-CD1 3.95Å; L75-L79 HydrophobicContact CG-CG 4.22Å; L75-L79 VanDerWaalsContact O-CG 3.28Å; L75-L79 WeakPolarHBondContact O-CG 3.42Å; L75-L79 PolarHBondContact O-N 3.13Å; L75-I246 HydrophobicContact CB-CD1 4.36Å; L75-I246 HydrophobicContact CD2-CD1 3.28Å; L75-I246 HydrophobicContact CG-CD1 4.43Å |
| 76 | L | 95.7 | Very high | 91.5 | Very high | 0 Ų | 0 | 24.1 Ų | 24.1 | 0% | 0 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -56.4 | -45.4 | 174.8 | -78.1 | 174 | 0 | 0 | 0 | 112 | I64 K72 S73 V78 L79 A80 Y110 Y195 L196 D197 V226 S228 | I64-L76 HydrophobicContact CD1-CD2 3.86Å; I64-L76 HydrophobicContact CD1-CG 4.09Å; K72-L76 PolarHBondContact O-N 2.81Å; S73-L76 WeakPolarHBondContact O-CB 3.44Å; S73-L76 PolarHBondContact O-N 2.76Å; L76-V78 VanDerWaalsContact C-N 3.29Å; L76-V78 PolarHBondContact O-N 3.04Å; L76-L79 PolarHBondContact O-N 3.49Å; L76-A80 VanDerWaalsContact O-CB 3.31Å; L76-A80 WeakPolarHBondContact O-CB 3.43Å; L76-A80 PolarHBondContact O-N 2.85Å; L76-Y110 HydrophobicContact CB-CE2 4.28Å; L76-Y195 HydrophobicContact CD2-CD1 3.92Å; L76-L196 WeakPolarHBondContact CD1-O 3.44Å; L76-D197 HydrophobicContact CD1-CB 4.1Å; L76-V226 HydrophobicContact CD2-CG1 3.74Å; L76-S228 VanDerWaalsContact CD1-OG 3.31Å; L76-S228 WeakPolarHBondContact CD1-OG 3.46Å |
| 77 | D | 93.7 | Very high | 91.2 | Very high | 7 Ų | 7 | 26.3 Ų | 26.3 | 4% | 0.037 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -61.6 | -38.6 | 177.7 | -74.7 | -23.6 | 0 | 0 | 0 | 112 | S73 T74 L75 G81 R82 K83 Y110 K835 | S73-D77 WeakPolarHBondContact O-CB 3.14Å; S73-D77 VanDerWaalsContact O-CG 3.31Å; S73-D77 PolarHBondContact O-N 3.03Å; T74-D77 PolarHBondContact O-N 3.12Å; L75-D77 VanDerWaalsContact C-N 3.31Å; L75-D77 PolarHBondContact O-N 2.91Å; D77-G81 PolarHBondContact O-N 3.5Å; D77-G81 VanDerWaalsContact O-N 3.09Å; D77-R82 HydrophobicContact CB-CB 4.21Å; D77-R82 WeakPolarHBondContact O-CA 3.23Å; D77-R82 PolarHBondContact O-N 3.18Å; D77-K83 PolarHBondContact O-N 3.03Å; D77-Y110 VanDerWaalsContact OD1-CZ 3.27Å; D77-Y110 PolarHBondContact OD1-OH 3.36Å; D77-K835 VanDerWaalsContact OD2-CD 3.31Å; D77-K835 WeakPolarHBondContact OD2-CD 3.31Å |
| 78 | V | 93.7 | Very high | 91.1 | Very high | 2 Ų | 2 | 28 Ų | 28 | 1% | 0.012 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -67 | -45.7 | 175.6 | 171.6 | 0 | 0 | 0 | 0 | 111.5 | V30 L50 T74 L75 L76 A80 G81 K83 L88 R104 | V30-V78 HydrophobicContact CG1-CB 4.49Å; V30-V78 HydrophobicContact CG1-CG1 3.54Å; L50-V78 HydrophobicContact CD1-CG2 4.2Å; T74-V78 VanDerWaalsContact O-CG2 3.26Å; T74-V78 WeakPolarHBondContact O-CG2 3.3Å; T74-V78 PolarHBondContact O-N 2.93Å; L75-V78 WeakPolarHBondContact O-CB 3.47Å; L75-V78 PolarHBondContact O-N 3.3Å; L75-V78 VanDerWaalsContact O-N 3.15Å; L76-V78 VanDerWaalsContact C-N 3.29Å; L76-V78 PolarHBondContact O-N 3.04Å; V78-A80 VanDerWaalsContact C-N 3.28Å; V78-A80 PolarHBondContact O-N 3.27Å; V78-G81 PolarHBondContact O-N 3.02Å; V78-G81 VanDerWaalsContact O-N 3.14Å; V78-K83 HydrophobicContact CG2-CB 3.93Å; V78-K83 HydrophobicContact CG2-CG 4.33Å; V78-L88 HydrophobicContact CB-CD1 3.98Å; V78-L88 HydrophobicContact CG1-CD1 3.44Å; V78-L88 VanDerWaalsContact CG1-CD1 3.44Å; V78-L88 HydrophobicContact CG1-CD2 3.81Å; V78-L88 HydrophobicContact CG1-CG 4.18Å; V78-L88 HydrophobicContact CG2-CD1 3.3Å; V78-R104 PolarHBondContact O-NH1 2.89Å; V78-R104 PolarHBondContact O-NH2 3.1Å |
| 79 | L | 94.8 | Very high | 91.1 | Very high | 0 Ų | 0 | 26.6 Ų | 26.6 | 0% | 0 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -65.6 | -31.3 | 178.7 | -65.7 | 178.1 | 0 | 0 | 0 | 112.1 | L25 F27 M57 L75 L76 V92 R104 Y195 | L25-L79 HydrophobicContact CD2-CB 4.35Å; L25-L79 HydrophobicContact CD2-CD1 4.15Å; L25-L79 HydrophobicContact CD2-CD2 4.27Å; L25-L79 HydrophobicContact CD2-CG 4.48Å; F27-L79 HydrophobicContact CB-CD2 3.65Å; F27-L79 HydrophobicContact CD1-CD2 3.6Å; F27-L79 HydrophobicContact CE1-CD2 4.38Å; F27-L79 HydrophobicContact CG-CD2 3.68Å; M57-L79 HydrophobicContact CE-CD1 4.2Å; M57-L79 HydrophobicContact SD-CD1 4.19Å; L75-L79 HydrophobicContact CD1-CD1 4.19Å; L75-L79 HydrophobicContact CD1-CD2 4.38Å; L75-L79 HydrophobicContact CD1-CG 4.03Å; L75-L79 HydrophobicContact CD2-CD1 4.46Å; L75-L79 HydrophobicContact CG-CD1 3.95Å; L75-L79 HydrophobicContact CG-CG 4.22Å; L75-L79 VanDerWaalsContact O-CG 3.28Å; L75-L79 WeakPolarHBondContact O-CG 3.42Å; L75-L79 PolarHBondContact O-N 3.13Å; L76-L79 PolarHBondContact O-N 3.49Å; L79-V92 HydrophobicContact CD2-CG1 4.38Å; L79-V92 HydrophobicContact CD2-CG2 4.17Å; L79-R104 PolarHBondContact O-NH1 2.8Å; L79-Y195 HydrophobicContact CB-CD1 4.49Å; L79-Y195 HydrophobicContact CB-CE1 3.68Å; L79-Y195 PolarHBondContact O-OH 3.27Å; L79-Y195 VanDerWaalsContact O-OH 3.07Å |
| 80 | A | 92.8 | Very high | 91.3 | Very high | 3 Ų | 3 | 24.3 Ų | 24.3 | 3% | 0.025 | 15% | 0.15 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -84.9 | -7 | 175.1 | 0 | 0 | 0 | 0 | 0 | 114.2 | L76 V78 R82 R105 Y110 Y195 | L76-A80 VanDerWaalsContact O-CB 3.31Å; L76-A80 WeakPolarHBondContact O-CB 3.43Å; L76-A80 PolarHBondContact O-N 2.85Å; V78-A80 VanDerWaalsContact C-N 3.28Å; V78-A80 PolarHBondContact O-N 3.27Å; A80-R82 HydrophobicContact CB-CG 4.18Å; A80-R105 WeakPolarHBondContact O-CG 3.19Å; A80-Y110 HydrophobicContact CB-CD2 3.51Å; A80-Y110 HydrophobicContact CB-CE2 4.02Å; A80-Y195 HydrophobicContact CB-CD2 3.7Å; A80-Y195 HydrophobicContact CB-CE2 3.92Å; A80-Y195 HydrophobicContact CB-CG 4.1Å |
| 81 | G | 89.9 | Confident | 91.2 | Very high | 1 Ų | 1 | 26.4 Ų | 26.4 | 1% | 0.01 | 16% | 0.158 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 72.2 | 27.1 | -176.7 | 0 | 0 | 0 | 0 | 0 | 114.2 | D77 V78 R104 R105 | D77-G81 PolarHBondContact O-N 3.5Å; D77-G81 VanDerWaalsContact O-N 3.09Å; V78-G81 PolarHBondContact O-N 3.02Å; V78-G81 VanDerWaalsContact O-N 3.14Å; G81-R104 VanDerWaalsContact CA-NH2 3.32Å; G81-R105 WeakPolarHBondContact O-CD 3.4Å |
| 82 | R | 89.3 | Confident | 91.2 | Very high | 26 Ų | 26 | 26.3 Ų | 26.3 | 10% | 0.098 | 16% | 0.156 | C | C | . | . | trans | -96.5 | -4.1 | 178.4 | -68.7 | -173.6 | 169.2 | -147.6 | -5.3 | 114.3 | D77 A80 R105 Y110 Y834 | D77-R82 HydrophobicContact CB-CB 4.21Å; D77-R82 WeakPolarHBondContact O-CA 3.23Å; D77-R82 PolarHBondContact O-N 3.18Å; A80-R82 HydrophobicContact CB-CG 4.18Å; R82-R105 HydrophobicContact CG-CG 4.23Å; R82-Y110 VanDerWaalsContact CZ-CG 3.41Å; R82-Y834 WeakPolarHBondContact O-CD1 3.46Å | ||
| 83 | K | 88.9 | Confident | 91.1 | Very high | 18 Ų | 18 | 25.9 Ų | 25.9 | 8% | 0.078 | 15% | 0.154 | C | C | . | . | S | Bend | trans | -92.5 | 151.2 | 170 | -154.1 | 66.9 | -175.8 | 164.1 | 0 | 111.8 | D77 V78 P85 K835 | D77-K83 PolarHBondContact O-N 3.03Å; V78-K83 HydrophobicContact CG2-CB 3.93Å; V78-K83 HydrophobicContact CG2-CG 4.33Å; K83-P85 WeakPolarHBondContact O-CD 3.4Å; K83-K835 WeakPolarHBondContact CD-O 3.49Å; K83-K835 WeakPolarHBondContact CE-O 3.31Å; K83-K835 PolarHBondContact NZ-O 3.12Å; K83-K835 PolarHBondContact NZ-OXT 3.2Å |
| 84 | N | 85.2 | Confident | 90.8 | Very high | 53 Ų | 53 | 24.6 Ų | 24.6 | 28% | 0.283 | 14% | 0.144 | S | C | . | . | trans | -62.5 | 123.4 | 177.5 | -172.6 | -8.9 | 0 | 0 | 0 | 110.1 | S86 Q87 Y834 | N84-S86 VanDerWaalsContact CG-OG 3.28Å; N84-S86 PolarHBondContact ND2-OG 3.03Å; N84-S86 VanDerWaalsContact ND2-OG 3.17Å; N84-S86 PolarHBondContact O-N 3.14Å; N84-S86 PolarHBondContact OD1-N 3.04Å; N84-S86 PolarHBondContact OD1-OG 3.3Å; N84-Q87 HydrophobicContact CB-CG 4.36Å; N84-Q87 WeakPolarHBondContact O-CB 3.32Å; N84-Q87 PolarHBondContact O-N 3.07Å; N84-Y834 HydrophobicContact CB-CG 4.47Å | ||
| 85 | P | 84.6 | Confident | 90.5 | Very high | 59 Ų | 59 | 25 Ų | 25 | 38% | 0.383 | 15% | 0.145 | S | C | . | . | G | 310 helix | trans | -60.7 | -24.9 | 179.8 | 18.4 | -28.7 | 0 | 0 | 0 | 114.4 | K83 Q87 L88 | K83-P85 WeakPolarHBondContact O-CD 3.4Å; P85-Q87 PolarHBondContact O-N 2.87Å; P85-L88 PolarHBondContact O-N 3.11Å |
| 86 | S | 85.5 | Confident | 89.9 | Confident | 77 Ų | 77 | 25.5 Ų | 25.5 | 54% | 0.538 | 15% | 0.151 | S | C | . | . | G | 310 helix | trans | -69.1 | -16.4 | 176.1 | 64.5 | 0 | 0 | 0 | 0 | 113.8 | N84 | N84-S86 VanDerWaalsContact CG-OG 3.28Å; N84-S86 PolarHBondContact ND2-OG 3.03Å; N84-S86 VanDerWaalsContact ND2-OG 3.17Å; N84-S86 PolarHBondContact O-N 3.14Å; N84-S86 PolarHBondContact OD1-N 3.04Å; N84-S86 PolarHBondContact OD1-OG 3.3Å |
| 87 | Q | 86.7 | Confident | 89.2 | Confident | 45 Ų | 45 | 28.3 Ų | 28.3 | 21% | 0.21 | 16% | 0.164 | C | C | . | . | G | 310 helix | trans | -96.2 | 1.5 | 177.6 | -69.8 | 177.8 | -5.2 | 0 | 0 | 112.5 | C32 N33 N84 P85 | C32-Q87 WeakPolarHBondContact CA-O 3.39Å; N33-Q87 PolarHBondContact N-O 3.41Å; N33-Q87 WeakPolarHBondContact O-CB 3.33Å; N33-Q87 WeakPolarHBondContact O-CG 3.45Å; N84-Q87 HydrophobicContact CB-CG 4.36Å; N84-Q87 WeakPolarHBondContact O-CB 3.32Å; N84-Q87 PolarHBondContact O-N 3.07Å; P85-Q87 PolarHBondContact O-N 2.87Å |
| 88 | L | 90.5 | Very high | 88.9 | Confident | 38 Ų | 38 | 31.6 Ų | 31.6 | 20% | 0.199 | 18% | 0.178 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.6 | 138.9 | -170 | -150.2 | 92.9 | 0 | 0 | 0 | 112 | S31 C32 V78 P85 | S31-L88 WeakPolarHBondContact O-CA 3.47Å; C32-L88 HydrophobicContact CB-CD1 4.37Å; V78-L88 HydrophobicContact CB-CD1 3.98Å; V78-L88 HydrophobicContact CG1-CD1 3.44Å; V78-L88 VanDerWaalsContact CG1-CD1 3.44Å; V78-L88 HydrophobicContact CG1-CD2 3.81Å; V78-L88 HydrophobicContact CG1-CG 4.18Å; V78-L88 HydrophobicContact CG2-CD1 3.3Å; P85-L88 PolarHBondContact O-N 3.11Å |
| 89 | T | 92 | Very high | 88.3 | Confident | 74 Ų | 74 | 32.4 Ų | 32.4 | 45% | 0.454 | 18% | 0.182 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.2 | 159.9 | 160.7 | 66.3 | 0 | 0 | 0 | 0 | 110 | V30 S31 | V30-T89 WeakPolarHBondContact CA-O 3.38Å; S31-T89 WeakPolarHBondContact CB-OG1 3.44Å; S31-T89 PolarHBondContact N-O 3.18Å; S31-T89 VanDerWaalsContact N-O 3.14Å; S31-T89 PolarHBondContact O-N 3.19Å |
| 90 | G | 90.8 | Very high | 87.8 | Confident | 27 Ų | 27 | 35.2 Ų | 35.2 | 28% | 0.278 | 20% | 0.2 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | 87.6 | -172.7 | -173.9 | 0 | 0 | 0 | 0 | 0 | 113.2 | H28 H29 | H28-G90 WeakPolarHBondContact O-CA 3.4Å; H29-G90 VanDerWaalsContact O-CA 3.31Å; H29-G90 WeakPolarHBondContact O-CA 3.37Å |
| 91 | Y | 89.8 | Confident | 87.4 | Confident | 47 Ų | 47 | 36.4 Ų | 36.4 | 18% | 0.184 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -147.9 | 156.6 | -178.7 | 57.1 | -90.7 | 0 | 0 | 0 | 112.1 | H28 L93 F346 | H28-Y91 HydrophobicContact CB-CD1 4.35Å; H28-Y91 HydrophobicContact CB-CD2 4.04Å; H28-Y91 HydrophobicContact CB-CE1 3.93Å; H28-Y91 HydrophobicContact CB-CE2 3.59Å; H28-Y91 HydrophobicContact CB-CG 4.4Å; H28-Y91 AromaticContact CD2-CD2 3.86Å; H28-Y91 AromaticContact CD2-CE2 3.41Å; H28-Y91 VanDerWaalsContact CD2-CE2 3.41Å; H28-Y91 WeakPolarHBondContact CD2-CE2 3.37Å; H28-Y91 AromaticContact CG-CE2 3.46Å; H28-Y91 VanDerWaalsContact CG-CE2 3.46Å; H28-Y91 AromaticContact CG-CZ 3.73Å; H28-Y91 PolarHBondContact N-O 2.79Å; H28-Y91 PolarHBondContact O-N 3.17Å; Y91-L93 HydrophobicContact CD2-CD1 4.25Å; Y91-L93 HydrophobicContact CD2-CD2 3.86Å; Y91-L93 HydrophobicContact CD2-CG 3.88Å; Y91-L93 HydrophobicContact CE2-CD1 3.94Å; Y91-L93 HydrophobicContact CE2-CD2 4.3Å; Y91-L93 HydrophobicContact CE2-CG 4.09Å; Y91-F346 HydrophobicContact CE2-CD1 4.3Å |
| 92 | V | 92.7 | Very high | 86.8 | Confident | 5 Ų | 5 | 38.8 Ų | 38.8 | 3% | 0.03 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123 | 133.4 | 179.4 | -178.1 | 0 | 0 | 0 | 0 | 108.2 | L25 S26 F27 V30 L79 | L25-V92 HydrophobicContact CD1-CG1 3.35Å; S26-V92 CarbonylContact O-C 3.45Å; S26-V92 WeakPolarHBondContact O-CA 3.39Å; F27-V92 HydrophobicContact CB-CG2 4.06Å; V30-V92 HydrophobicContact CG2-CG2 4.35Å; L79-V92 HydrophobicContact CD2-CG1 4.38Å; L79-V92 HydrophobicContact CD2-CG2 4.17Å |
| 93 | L | 90.9 | Very high | 86.4 | Confident | 0 Ų | 0 | 38.9 Ų | 38.9 | 0% | 0 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.4 | 141.6 | 179.9 | -50.3 | 175.4 | 0 | 0 | 0 | 109.9 | S26 Y91 E97 F98 F346 | S26-L93 PolarHBondContact N-O 2.76Å; S26-L93 PolarHBondContact O-N 3.44Å; Y91-L93 HydrophobicContact CD2-CD1 4.25Å; Y91-L93 HydrophobicContact CD2-CD2 3.86Å; Y91-L93 HydrophobicContact CD2-CG 3.88Å; Y91-L93 HydrophobicContact CE2-CD1 3.94Å; Y91-L93 HydrophobicContact CE2-CD2 4.3Å; Y91-L93 HydrophobicContact CE2-CG 4.09Å; L93-E97 CarbonylContact C-O 3.53Å; L93-E97 VanDerWaalsContact CA-O 3.28Å; L93-E97 WeakPolarHBondContact CA-O 3.43Å; L93-F98 HydrophobicContact CD2-CB 3.74Å; L93-F98 HydrophobicContact CD2-CD2 4.32Å; L93-F346 HydrophobicContact CD1-CB 3.96Å; L93-F346 HydrophobicContact CD1-CG 4.3Å; L93-F346 HydrophobicContact CD2-CB 4.33Å; L93-F346 HydrophobicContact CD2-CD1 4.27Å; L93-F346 HydrophobicContact CD2-CD2 3.89Å; L93-F346 HydrophobicContact CD2-CE2 4.31Å; L93-F346 HydrophobicContact CD2-CG 3.88Å |
| 94 | L | 89.6 | Confident | 86.2 | Confident | 4 Ų | 4 | 38.3 Ų | 38.3 | 2% | 0.021 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.6 | 121.4 | 166.3 | -63.9 | -172.9 | 0 | 0 | 0 | 107.9 | T23 L25 G96 E97 L99 L192 V193 | T23-L94 HydrophobicContact CG2-CB 4.08Å; T23-L94 HydrophobicContact CG2-CD2 4.15Å; L25-L94 HydrophobicContact CB-CD2 4.01Å; L25-L94 HydrophobicContact CD1-CD2 3.43Å; L25-L94 VanDerWaalsContact CD1-CD2 3.43Å; L25-L94 HydrophobicContact CG-CD2 4.34Å; L94-G96 PolarHBondContact O-N 3.47Å; L94-E97 PolarHBondContact N-O 3.19Å; L94-E97 PolarHBondContact O-N 2.91Å; L94-L99 HydrophobicContact CB-CD1 4.2Å; L94-L99 HydrophobicContact CD1-CD1 3.64Å; L94-L99 HydrophobicContact CG-CD1 4.17Å; L94-L192 HydrophobicContact CD1-CD1 4.16Å; L94-V193 HydrophobicContact CD2-CG2 3.89Å |
| 95 | N | 87 | Confident | 86.2 | Confident | 39 Ų | 39 | 37.4 Ų | 37.4 | 21% | 0.209 | 22% | 0.216 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 51.2 | 39.8 | -174.4 | -64.4 | -16.5 | 0 | 0 | 0 | 112.8 | T23 T24 E97 Q486 | T23-N95 VanDerWaalsContact CA-OD1 3.31Å; T23-N95 WeakPolarHBondContact CA-OD1 3.44Å; T24-N95 PolarHBondContact N-OD1 2.98Å; T24-N95 PolarHBondContact O-N 3.23Å; N95-E97 PolarHBondContact O-N 3.27Å; N95-Q486 PolarHBondContact ND2-OE1 3.12Å |
| 96 | G | 83.1 | Confident | 85.9 | Confident | 11 Ų | 11 | 39.3 Ų | 39.3 | 11% | 0.113 | 22% | 0.216 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 74.4 | -1.9 | -177.2 | 0 | 0 | 0 | 0 | 0 | 115 | L94 | L94-G96 PolarHBondContact O-N 3.47Š|
| 97 | E | 82.2 | Confident | 85.8 | Confident | 58 Ų | 58 | 37.1 Ų | 37.1 | 27% | 0.271 | 20% | 0.198 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.9 | 136.5 | 176.6 | -69.8 | -149.1 | 158 | 0 | 0 | 113.2 | L93 L94 N95 L488 | L93-E97 CarbonylContact C-O 3.53Å; L93-E97 VanDerWaalsContact CA-O 3.28Å; L93-E97 WeakPolarHBondContact CA-O 3.43Å; L94-E97 PolarHBondContact N-O 3.19Å; L94-E97 PolarHBondContact O-N 2.91Å; N95-E97 PolarHBondContact O-N 3.27Å; E97-L488 WeakPolarHBondContact OE2-CD1 3.4Å |
| 98 | F | 86 | Confident | 86 | Confident | 77 Ų | 77 | 35.2 Ų | 35.2 | 34% | 0.338 | 19% | 0.189 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.7 | 121.3 | 171.5 | -178.6 | -95.3 | 0 | 0 | 0 | 110.9 | L93 F346 | L93-F98 HydrophobicContact CD2-CB 3.74Å; L93-F98 HydrophobicContact CD2-CD2 4.32Å; F98-F346 HydrophobicContact CB-CD2 3.86Å; F98-F346 HydrophobicContact CB-CE2 3.22Å; F98-F346 HydrophobicContact CB-CZ 3.8Å; F98-F346 HydrophobicContact CG-CE2 4.1Å; F98-F346 HydrophobicContact CG-CZ 4.23Å |
| 99 | L | 82.1 | Confident | 86.1 | Confident | 19 Ų | 19 | 33.4 Ų | 33.4 | 10% | 0.099 | 18% | 0.18 | C | C | . | . | trans | -109.7 | 130.7 | 175.5 | -62.9 | 177.4 | 0 | 0 | 0 | 110.5 | L94 R104 L107 | L94-L99 HydrophobicContact CB-CD1 4.2Å; L94-L99 HydrophobicContact CD1-CD1 3.64Å; L94-L99 HydrophobicContact CG-CD1 4.17Å; L99-R104 HydrophobicContact CB-CB 4.39Å; L99-L107 HydrophobicContact CD1-CD1 4.16Å | ||
| 100 | P | 84.3 | Confident | 86.2 | Confident | 59 Ų | 59 | 30.1 Ų | 30.1 | 38% | 0.383 | 16% | 0.159 | S | C | . | . | trans | -55.2 | 145.4 | 171.7 | -23.4 | 32.7 | 0 | 0 | 0 | 111.7 | S102 V103 R104 | P100-S102 PolarHBondContact O-N 2.92Å; P100-V103 HydrophobicContact CB-CG2 4.38Å; P100-V103 HydrophobicContact CG-CG2 4.39Å; P100-V103 PolarHBondContact O-N 3.01Å; P100-R104 PolarHBondContact O-N 3.22Å | ||
| 101 | N | 83.5 | Confident | 86.5 | Confident | 28 Ų | 28 | 29 Ų | 29 | 15% | 0.15 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -54.4 | -31.8 | -178.7 | -67.7 | -2.7 | 0 | 0 | 0 | 113.5 | R104 R105 | N101-R104 PolarHBondContact OD1-NH2 3.39Å; N101-R105 WeakPolarHBondContact O-CB 3.35Å; N101-R105 WeakPolarHBondContact O-CG 3.44Å; N101-R105 PolarHBondContact O-N 3.45Å; N101-R105 VanDerWaalsContact O-N 3.14Å; N101-R105 PolarHBondContact O-NE 2.66Å |
| 102 | S | 77.9 | Confident | 86.6 | Confident | 51 Ų | 51 | 27.6 Ų | 27.6 | 36% | 0.357 | 14% | 0.143 | S | C | . | . | H | α-helix | trans | -67.9 | -33.2 | 176 | 54.3 | 0 | 0 | 0 | 0 | 113.6 | P100 R106 | P100-S102 PolarHBondContact O-N 2.92Å; S102-R106 WeakPolarHBondContact O-CG 3.42Å; S102-R106 PolarHBondContact O-NE 3.05Å |
| 103 | V | 80.6 | Confident | 86.6 | Confident | 27 Ų | 27 | 31.2 Ų | 31.2 | 16% | 0.164 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -81.8 | -46 | 177.8 | 179.1 | 0 | 0 | 0 | 0 | 109.6 | P100 R105 R106 L107 | P100-V103 HydrophobicContact CB-CG2 4.38Å; P100-V103 HydrophobicContact CG-CG2 4.39Å; P100-V103 PolarHBondContact O-N 3.01Å; V103-R105 VanDerWaalsContact C-N 3.33Å; V103-R105 PolarHBondContact O-N 3.21Å; V103-R106 PolarHBondContact O-N 3.2Å; V103-L107 HydrophobicContact CG1-CD1 3.68Å; V103-L107 HydrophobicContact CG1-CG 4.18Å; V103-L107 PolarHBondContact O-N 3.29Å |
| 104 | R | 85.1 | Confident | 86.6 | Confident | 7 Ų | 7 | 37 Ų | 37 | 3% | 0.026 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -55.4 | -44.4 | 178.1 | -175.6 | 163 | 51.1 | 138.1 | -2.3 | 112.3 | V78 L79 G81 L99 P100 N101 R106 L107 C108 | V78-R104 PolarHBondContact O-NH1 2.89Å; V78-R104 PolarHBondContact O-NH2 3.1Å; L79-R104 PolarHBondContact O-NH1 2.8Å; G81-R104 VanDerWaalsContact CA-NH2 3.32Å; L99-R104 HydrophobicContact CB-CB 4.39Å; P100-R104 PolarHBondContact O-N 3.22Å; N101-R104 PolarHBondContact OD1-NH2 3.39Å; R104-R106 PolarHBondContact O-N 3.02Å; R104-L107 PolarHBondContact O-N 3.24Å; R104-C108 WeakPolarHBondContact O-CB 3.38Å; R104-C108 PolarHBondContact O-N 3.14Å; R104-C108 PolarHBondContact O-SG 3.48Å |
| 105 | R | 84.4 | Confident | 86.7 | Confident | 33 Ų | 33 | 39.4 Ų | 39.4 | 13% | 0.125 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -61.3 | -23.7 | 175.9 | -79.3 | -174.2 | -67.9 | -173.8 | -7.2 | 115.3 | A80 G81 R82 N101 V103 Y834 | A80-R105 WeakPolarHBondContact O-CG 3.19Å; G81-R105 WeakPolarHBondContact O-CD 3.4Å; R82-R105 HydrophobicContact CG-CG 4.23Å; N101-R105 WeakPolarHBondContact O-CB 3.35Å; N101-R105 WeakPolarHBondContact O-CG 3.44Å; N101-R105 PolarHBondContact O-N 3.45Å; N101-R105 VanDerWaalsContact O-N 3.14Å; N101-R105 PolarHBondContact O-NE 2.66Å; V103-R105 VanDerWaalsContact C-N 3.33Å; V103-R105 PolarHBondContact O-N 3.21Å; R105-Y834 VanDerWaalsContact NH1-CE1 3.25Å; R105-Y834 PolarHBondContact NH2-OH 3.35Å |
| 106 | R | 79.3 | Confident | 86.9 | Confident | 100 Ų | 100 | 38.9 Ų | 38.9 | 38% | 0.377 | 20% | 0.196 | S | C | . | . | H | α-helix | trans | -90.5 | -34.6 | 179.3 | -63.5 | 177.8 | -157.6 | 163.3 | 4.2 | 112 | S102 V103 R104 N189 | S102-R106 WeakPolarHBondContact O-CG 3.42Å; S102-R106 PolarHBondContact O-NE 3.05Å; V103-R106 PolarHBondContact O-N 3.2Å; R104-R106 PolarHBondContact O-N 3.02Å; R106-N189 PolarHBondContact O-ND2 2.98Å; R106-N189 VanDerWaalsContact O-ND2 3.14Å |
| 107 | L | 84.1 | Confident | 87.4 | Confident | 31 Ų | 31 | 38.7 Ų | 38.7 | 16% | 0.162 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -84 | -23.7 | -179.2 | -64.5 | -179.8 | 0 | 0 | 0 | 113 | L99 V103 R104 P191 L192 | L99-L107 HydrophobicContact CD1-CD1 4.16Å; V103-L107 HydrophobicContact CG1-CD1 3.68Å; V103-L107 HydrophobicContact CG1-CG 4.18Å; V103-L107 PolarHBondContact O-N 3.29Å; R104-L107 PolarHBondContact O-N 3.24Å; L107-P191 CarbonylContact O-C 3.58Å; L107-P191 VanDerWaalsContact O-CA 3.25Å; L107-P191 WeakPolarHBondContact O-CA 3.34Å; L107-L192 HydrophobicContact CB-CD1 4.01Å; L107-L192 HydrophobicContact CB-CG 4.33Å; L107-L192 HydrophobicContact CD1-CD1 4.06Å; L107-L192 PolarHBondContact O-N 3.05Å |
| 108 | C | 90.3 | Very high | 87.9 | Confident | 5 Ų | 5 | 37.1 Ų | 37.1 | 3% | 0.034 | 19% | 0.186 | C | C | . | . | S | Bend | trans | -99.6 | 146.1 | 175.6 | -59 | 0 | 0 | 0 | 0 | 110.7 | R104 V193 Y195 | R104-C108 WeakPolarHBondContact O-CB 3.38Å; R104-C108 PolarHBondContact O-N 3.14Å; R104-C108 PolarHBondContact O-SG 3.48Å; C108-V193 CarbonylContact C-O 3.51Å; C108-V193 VanDerWaalsContact CA-O 3.31Å; C108-V193 WeakPolarHBondContact CA-O 3.41Å; C108-V193 WeakPolarHBondContact CB-O 3.29Å; C108-Y195 HydrophobicContact CB-CD2 4.05Å; C108-Y195 HydrophobicContact CB-CE2 3.7Å |
| 109 | G | 92.4 | Very high | 88.2 | Confident | 0 Ų | 0 | 36.8 Ų | 36.8 | 0% | 0 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.9 | 144.1 | 170.6 | 0 | 0 | 0 | 0 | 0 | 109.1 | V193 Y195 | G109-V193 PolarHBondContact N-O 3.46Å; G109-Y195 WeakPolarHBondContact O-CD2 3.21Å; G109-Y195 PolarHBondContact O-N 3.1Å |
| 110 | Y | 95 | Very high | 88.6 | Confident | 4 Ų | 4 | 37.2 Ų | 37.2 | 2% | 0.016 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.3 | 118.5 | 175.6 | -177.7 | -69.6 | 0 | 0 | 0 | 110.1 | L76 D77 A80 R82 V112 Y195 H595 | L76-Y110 HydrophobicContact CB-CE2 4.28Å; D77-Y110 VanDerWaalsContact OD1-CZ 3.27Å; D77-Y110 PolarHBondContact OD1-OH 3.36Å; A80-Y110 HydrophobicContact CB-CD2 3.51Å; A80-Y110 HydrophobicContact CB-CE2 4.02Å; R82-Y110 VanDerWaalsContact CZ-CG 3.41Å; Y110-V112 HydrophobicContact CD1-CG1 4.01Å; Y110-V112 HydrophobicContact CE1-CB 4.36Å; Y110-V112 HydrophobicContact CE1-CG1 3.66Å; Y110-Y195 CarbonylContact C-O 3.29Å; Y110-Y195 WeakPolarHBondContact CA-O 3.14Å; Y110-Y195 HydrophobicContact CD2-CG 4.23Å; Y110-H595 PolarHBondContact O-CE1 2.83Å |
| 111 | V | 95.6 | Very high | 89.1 | Confident | 4 Ų | 4 | 34.6 Ų | 34.6 | 2% | 0.024 | 17% | 0.172 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.5 | 115.8 | 175.6 | -177 | 0 | 0 | 0 | 0 | 107.9 | C182 I183 E186 L194 Y195 L196 D197 | V111-C182 HydrophobicContact CG1-CB 4.01Å; V111-I183 HydrophobicContact CG1-CG1 4.49Å; V111-I183 HydrophobicContact CG2-CG1 4.07Å; V111-E186 HydrophobicContact CG2-CB 4.47Å; V111-E186 HydrophobicContact CG2-CG 4.08Å; V111-L194 HydrophobicContact CG2-CD1 4.28Å; V111-Y195 PolarHBondContact N-O 2.86Å; V111-L196 HydrophobicContact CB-CB 4.34Å; V111-L196 HydrophobicContact CB-CD2 4.16Å; V111-L196 HydrophobicContact CB-CG 4.06Å; V111-L196 HydrophobicContact CG2-CD2 4.18Å; V111-L196 HydrophobicContact CG2-CG 4.22Å; V111-L196 WeakPolarHBondContact O-CA 3.38Å; V111-D197 PolarHBondContact O-N 3.3Å |
| 112 | V | 93.1 | Very high | 89.7 | Confident | 17 Ų | 17 | 33.9 Ų | 33.9 | 10% | 0.103 | 17% | 0.168 | C | C | . | . | trans | -68.6 | 162.1 | 174.7 | -72.4 | 0 | 0 | 0 | 0 | 111.8 | Y110 E114 I116 K179 | Y110-V112 HydrophobicContact CD1-CG1 4.01Å; Y110-V112 HydrophobicContact CE1-CB 4.36Å; Y110-V112 HydrophobicContact CE1-CG1 3.66Å; V112-E114 WeakPolarHBondContact CG2-O 3.31Å; V112-I116 HydrophobicContact CB-CD1 4.41Å; V112-I116 HydrophobicContact CG1-CD1 4.47Å; V112-I116 HydrophobicContact CG2-CB 4.16Å; V112-I116 HydrophobicContact CG2-CD1 3.5Å; V112-I116 VanDerWaalsContact CG2-CD1 3.5Å; V112-I116 HydrophobicContact CG2-CG1 3.7Å; V112-K179 PolarHBondContact O-NZ 2.75Å | ||
| 113 | Q | 92.6 | Very high | 90.7 | Very high | 81 Ų | 81 | 31.4 Ų | 31.4 | 38% | 0.379 | 15% | 0.151 | S | C | . | . | S | Bend | trans | -57.6 | -54 | 176.3 | -173 | -179.5 | 13.5 | 0 | 0 | 111.4 | K179 D197 E198 | Q113-K179 PolarHBondContact O-NZ 2.91Å; Q113-D197 VanDerWaalsContact CA-O 3.27Å; Q113-D197 WeakPolarHBondContact CA-O 3.18Å; Q113-D197 HydrophobicContact CB-CB 4.37Å; Q113-E198 HydrophobicContact CG-CB 4.26Å; Q113-E198 PolarHBondContact NE2-OE2 2.81Å |
| 114 | E | 90 | Very high | 91.5 | Very high | 121 Ų | 121 | 33.5 Ų | 33.5 | 57% | 0.565 | 16% | 0.156 | S | C | * | . | S | Bend | trans | -69 | 145.6 | 175.1 | -65.3 | 179.3 | -179.6 | 0 | 0 | 112.1 | V112 I116 | V112-E114 WeakPolarHBondContact CG2-O 3.31Å; E114-I116 PolarHBondContact O-N 3.17Å |
| 115 | N | 91.7 | Very high | 92.1 | Very high | 55 Ų | 55 | 35.5 Ų | 35.5 | 29% | 0.294 | 17% | 0.166 | S | C | . | . | trans | -78.5 | 84.2 | 178.4 | -71.4 | -42.6 | 0 | 0 | 0 | 111.2 | V117 R178 K179 | N115-V117 PolarHBondContact O-N 3.1Å; N115-R178 HydrophobicContact CB-CG 4Å; N115-K179 WeakPolarHBondContact OD1-CD 3.23Å | ||
| 116 | I | 91.5 | Very high | 92.7 | Very high | 28 Ų | 28 | 34.2 Ų | 34.2 | 14% | 0.144 | 16% | 0.162 | C | C | . | . | trans | -83 | 94.9 | 177.5 | -58.4 | -179.8 | 0 | 0 | 0 | 109.9 | V112 E114 L591 I592 H595 | V112-I116 HydrophobicContact CB-CD1 4.41Å; V112-I116 HydrophobicContact CG1-CD1 4.47Å; V112-I116 HydrophobicContact CG2-CB 4.16Å; V112-I116 HydrophobicContact CG2-CD1 3.5Å; V112-I116 VanDerWaalsContact CG2-CD1 3.5Å; V112-I116 HydrophobicContact CG2-CG1 3.7Å; E114-I116 PolarHBondContact O-N 3.17Å; I116-L591 HydrophobicContact CD1-CB 4.42Å; I116-I592 HydrophobicContact CG2-CB 4.16Å; I116-I592 HydrophobicContact CG2-CG1 3.72Å; I116-H595 HydrophobicContact CD1-CB 3.8Å; I116-H595 HydrophobicContact CG2-CB 4.08Å | ||
| 117 | V | 93.5 | Very high | 93.5 | Very high | 8 Ų | 8 | 29.5 Ų | 29.5 | 5% | 0.048 | 14% | 0.144 | C | C | . | . | S | Bend | trans | -145.2 | 154.4 | 176.3 | -71.4 | 0 | 0 | 0 | 0 | 110.3 | N115 E119 I165 R178 C182 I185 | N115-V117 PolarHBondContact O-N 3.1Å; V117-E119 PolarHBondContact O-N 3.24Å; V117-I165 HydrophobicContact CB-CD1 3.83Å; V117-I165 HydrophobicContact CG1-CD1 4.41Å; V117-I165 HydrophobicContact CG2-CD1 3.81Å; V117-I165 HydrophobicContact CG2-CG2 4Å; V117-R178 HydrophobicContact CG2-CG 3.93Å; V117-C182 HydrophobicContact CG1-CB 4.47Å; V117-C182 WeakPolarHBondContact CG1-SG 3.18Å; V117-I185 HydrophobicContact CG1-CD1 3.6Å |
| 118 | M | 92.6 | Very high | 94.1 | Very high | 25 Ų | 25 | 29.7 Ų | 29.7 | 12% | 0.123 | 15% | 0.146 | C | C | . | . | trans | -77.3 | 112.3 | 175.1 | -165.3 | 69.4 | -172.9 | 0 | 0 | 109.9 | T120 L121 N126 T524 I592 | M118-T120 PolarHBondContact O-N 2.99Å; M118-L121 HydrophobicContact CB-CB 4.29Å; M118-L121 HydrophobicContact CB-CD1 3.77Å; M118-L121 HydrophobicContact CB-CG 4Å; M118-L121 HydrophobicContact CG-CB 4.45Å; M118-L121 HydrophobicContact CG-CD1 3.83Å; M118-L121 HydrophobicContact CG-CG 3.77Å; M118-L121 PolarHBondContact O-N 2.97Å; M118-N126 WeakPolarHBondContact CB-OD1 3.37Å; M118-N126 PolarHBondContact N-OD1 2.55Å; M118-N126 VanDerWaalsContact N-OD1 3.13Å; M118-N126 PolarHBondContact O-ND2 3.13Å; M118-N126 VanDerWaalsContact O-ND2 3.14Å; M118-T524 HydrophobicContact CE-CG2 3.52Å; M118-T524 WeakPolarHBondContact CE-OG1 3.43Å; M118-I592 HydrophobicContact SD-CD1 4.18Å | ||
| 119 | E | 92.1 | Very high | 94.4 | Very high | 69 Ų | 69 | 30.2 Ų | 30.2 | 32% | 0.322 | 15% | 0.148 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -70.2 | -28.3 | -170.7 | -61 | -162.5 | 137.9 | 0 | 0 | 114.3 | V117 L121 I164 G166 T167 R178 | V117-E119 PolarHBondContact O-N 3.24Å; E119-L121 VanDerWaalsContact C-N 3.26Å; E119-L121 PolarHBondContact O-N 3.21Å; E119-I164 WeakPolarHBondContact O-CG2 3.35Å; E119-G166 WeakPolarHBondContact CB-O 3.44Å; E119-G166 PolarHBondContact O-N 3.33Å; E119-T167 HydrophobicContact CB-CG2 3.86Å; E119-T167 WeakPolarHBondContact OE2-CA 3.31Å; E119-T167 WeakPolarHBondContact OE2-CG2 3.42Å; E119-R178 IonicContact OE1-CZ 3.36Å; E119-R178 IonicContact OE1-NH1 3.57Å; E119-R178 PolarHBondContact OE1-NH1 3.38Å |
| 120 | T | 91.5 | Very high | 94.5 | Very high | 29 Ų | 29 | 30.2 Ų | 30.2 | 18% | 0.178 | 15% | 0.148 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -80.4 | -8.3 | 179 | 55 | 0 | 0 | 0 | 0 | 113.2 | M118 T524 R527 | M118-T120 PolarHBondContact O-N 2.99Å; T120-T524 HydrophobicContact CG2-CG2 4.06Å; T120-T524 PolarHBondContact OG1-OG1 3.41Å; T120-R527 WeakPolarHBondContact O-CD 3.23Å; T120-R527 PolarHBondContact O-NH1 3.43Å |
| 121 | L | 94.7 | Very high | 94.4 | Very high | 4 Ų | 4 | 30 Ų | 30 | 2% | 0.021 | 15% | 0.147 | C | C | . | . | S | Bend | trans | -98.7 | 157.5 | 179.1 | -62.5 | -178.4 | 0 | 0 | 0 | 111.3 | M118 E119 E125 N126 I165 R520 L523 | M118-L121 HydrophobicContact CB-CB 4.29Å; M118-L121 HydrophobicContact CB-CD1 3.77Å; M118-L121 HydrophobicContact CB-CG 4Å; M118-L121 HydrophobicContact CG-CB 4.45Å; M118-L121 HydrophobicContact CG-CD1 3.83Å; M118-L121 HydrophobicContact CG-CG 3.77Å; M118-L121 PolarHBondContact O-N 2.97Å; E119-L121 VanDerWaalsContact C-N 3.26Å; E119-L121 PolarHBondContact O-N 3.21Å; L121-E125 HydrophobicContact CB-CB 4.14Å; L121-N126 VanDerWaalsContact CB-ND2 3.3Å; L121-N126 WeakPolarHBondContact CB-ND2 3.46Å; L121-I165 WeakPolarHBondContact O-CG1 3.34Å; L121-I165 PolarHBondContact O-N 3.49Å; L121-R520 HydrophobicContact CD1-CG 3.9Å; L121-L523 HydrophobicContact CD2-CB 4.07Å; L121-L523 HydrophobicContact CD2-CD1 4.33Å |
| 122 | T | 96.4 | Very high | 94.3 | Very high | 12 Ų | 12 | 30.6 Ų | 30.6 | 7% | 0.074 | 15% | 0.151 | C | C | . | . | B | Isolated β-bridge | trans | -73.9 | 165.4 | 170.3 | 63.1 | 0 | 0 | 0 | 0 | 111 | R124 E125 N126 D162 R163 I164 | T122-R124 VanDerWaalsContact C-N 3.33Å; T122-R124 PolarHBondContact O-N 3.17Å; T122-E125 WeakPolarHBondContact CG2-OE2 3.44Å; T122-E125 PolarHBondContact N-OE2 3.43Å; T122-E125 PolarHBondContact O-N 2.62Å; T122-E125 WeakPolarHBondContact OG1-CB 3.29Å; T122-E125 WeakPolarHBondContact OG1-CG 3.43Å; T122-E125 PolarHBondContact OG1-N 3.22Å; T122-E125 VanDerWaalsContact OG1-N 3.16Å; T122-E125 PolarHBondContact OG1-OE2 2.91Å; T122-N126 PolarHBondContact O-N 2.73Å; T122-N126 VanDerWaalsContact O-N 3.12Å; T122-N126 PolarHBondContact O-ND2 2.92Å; T122-D162 WeakPolarHBondContact CG2-O 3.42Å; T122-R163 VanDerWaalsContact CA-O 3.22Å; T122-R163 WeakPolarHBondContact CA-O 3.46Å; T122-R163 WeakPolarHBondContact CB-O 3.42Å; T122-I164 HydrophobicContact CG2-CG1 4.03Å |
| 123 | I | 97.6 | Very high | 94.2 | Very high | 0 Ų | 0 | 30.1 Ų | 30.1 | 0% | 0 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -56.6 | -50.1 | 173.8 | -65.4 | -177.7 | 0 | 0 | 0 | 110 | E125 N126 I127 L157 V160 A161 R163 I165 V173 T181 | I123-E125 PolarHBondContact O-N 3.14Å; I123-N126 PolarHBondContact O-N 3.07Å; I123-I127 HydrophobicContact CG2-CD1 3.91Å; I123-I127 WeakPolarHBondContact O-CG1 3.34Å; I123-I127 PolarHBondContact O-N 3.32Å; I123-I127 VanDerWaalsContact O-N 3.14Å; I123-L157 HydrophobicContact CD1-CD2 4.33Å; I123-L157 HydrophobicContact CG2-CD1 3.97Å; I123-V160 HydrophobicContact CD1-CB 4.31Å; I123-V160 HydrophobicContact CD1-CG2 3.79Å; I123-A161 WeakPolarHBondContact CB-O 3.21Å; I123-A161 PolarHBondContact N-O 2.85Å; I123-R163 PolarHBondContact N-O 3.23Å; I123-I165 HydrophobicContact CG1-CG1 4.25Å; I123-V173 HydrophobicContact CD1-CG1 4.05Å; I123-V173 HydrophobicContact CG1-CG1 4.42Å; I123-T181 HydrophobicContact CB-CG2 4.33Å; I123-T181 HydrophobicContact CG1-CG2 4.31Å; I123-T181 WeakPolarHBondContact CG1-OG1 3.45Å; I123-T181 HydrophobicContact CG2-CG2 3.94Å |
| 124 | R | 97.9 | Very high | 94 | Very high | 71 Ų | 71 | 27.3 Ų | 27.3 | 27% | 0.268 | 13% | 0.134 | S | C | . | . | H | α-helix | trans | -59.5 | -44.3 | 180 | -175 | -178.8 | -58.5 | -80.7 | 0.5 | 112.3 | T122 N126 I127 T128 V148 S149 I152 A161 D162 | T122-R124 VanDerWaalsContact C-N 3.33Å; T122-R124 PolarHBondContact O-N 3.17Å; R124-N126 PolarHBondContact O-N 2.99Å; R124-I127 PolarHBondContact O-N 3.12Å; R124-T128 VanDerWaalsContact O-CB 3.26Å; R124-T128 WeakPolarHBondContact O-CB 3.07Å; R124-T128 PolarHBondContact O-N 2.92Å; R124-T128 PolarHBondContact O-OG1 2.9Å; R124-V148 HydrophobicContact CG-CG1 4.18Å; R124-S149 PolarHBondContact NH1-OG 2.99Å; R124-I152 HydrophobicContact CB-CD1 4Å; R124-I152 HydrophobicContact CG-CD1 3.99Å; R124-A161 WeakPolarHBondContact CB-O 3.34Å; R124-A161 PolarHBondContact N-O 3.01Å; R124-D162 WeakPolarHBondContact CD-OD1 3.37Å; R124-D162 IonicContact CZ-OD1 3.84Å; R124-D162 IonicContact NE-OD1 2.87Å; R124-D162 PolarHBondContact NE-OD1 3.35Å; R124-D162 IonicContact NE-OD2 3.03Å; R124-D162 IonicContact NH2-OD1 3.59Å; R124-D162 IonicContact NH2-OD2 2.76Å |
| 125 | E | 97.5 | Very high | 93.9 | Very high | 48 Ų | 48 | 22.7 Ų | 22.7 | 22% | 0.224 | 11% | 0.113 | C | C | . | . | H | α-helix | trans | -64.5 | -39.8 | 179.9 | -74.8 | 165.5 | 151.1 | 0 | 0 | 112.7 | L121 T122 I123 T128 F129 R527 | L121-E125 HydrophobicContact CB-CB 4.14Å; T122-E125 WeakPolarHBondContact CG2-OE2 3.44Å; T122-E125 PolarHBondContact N-OE2 3.43Å; T122-E125 PolarHBondContact O-N 2.62Å; T122-E125 WeakPolarHBondContact OG1-CB 3.29Å; T122-E125 WeakPolarHBondContact OG1-CG 3.43Å; T122-E125 PolarHBondContact OG1-N 3.22Å; T122-E125 VanDerWaalsContact OG1-N 3.16Å; T122-E125 PolarHBondContact OG1-OE2 2.91Å; I123-E125 PolarHBondContact O-N 3.14Å; E125-T128 PolarHBondContact O-N 3.32Å; E125-F129 VanDerWaalsContact O-CB 3.31Å; E125-F129 WeakPolarHBondContact O-CB 3.46Å; E125-F129 PolarHBondContact O-N 2.75Å; E125-R527 VanDerWaalsContact CD-NH2 3.31Å; E125-R527 IonicContact OE1-CZ 3.92Å; E125-R527 IonicContact OE1-NH1 2.87Å; E125-R527 IonicContact OE1-NH2 3.12Å; E125-R527 PolarHBondContact OE1-NH2 2.91Å; E125-R527 IonicContact OE2-CZ 3.6Å; E125-R527 IonicContact OE2-NH1 2.74Å; E125-R527 PolarHBondContact OE2-NH1 3.07Å; E125-R527 IonicContact OE2-NH2 2.62Å; E125-R527 PolarHBondContact OE2-NH2 2.66Å; E125-R527 VanDerWaalsContact OE2-NH2 3.14Å |
| 126 | N | 97.3 | Very high | 93.4 | Very high | 7 Ų | 7 | 21.8 Ų | 21.8 | 4% | 0.037 | 11% | 0.11 | C | C | . | . | H | α-helix | trans | -62.4 | -45.2 | 175.8 | -83.7 | -77.7 | 0 | 0 | 0 | 111.5 | M118 L121 T122 I123 R124 F129 S130 I165 T181 I185 | M118-N126 WeakPolarHBondContact CB-OD1 3.37Å; M118-N126 PolarHBondContact N-OD1 2.55Å; M118-N126 VanDerWaalsContact N-OD1 3.13Å; M118-N126 PolarHBondContact O-ND2 3.13Å; M118-N126 VanDerWaalsContact O-ND2 3.14Å; L121-N126 VanDerWaalsContact CB-ND2 3.3Å; L121-N126 WeakPolarHBondContact CB-ND2 3.46Å; T122-N126 PolarHBondContact O-N 2.73Å; T122-N126 VanDerWaalsContact O-N 3.12Å; T122-N126 PolarHBondContact O-ND2 2.92Å; I123-N126 PolarHBondContact O-N 3.07Å; R124-N126 PolarHBondContact O-N 2.99Å; N126-F129 WeakPolarHBondContact O-CB 3.46Å; N126-F129 PolarHBondContact O-N 3.28Å; N126-S130 PolarHBondContact O-N 3.45Å; N126-I165 WeakPolarHBondContact ND2-CD1 3.37Å; N126-T181 HydrophobicContact CB-CG2 4.43Å; N126-I185 HydrophobicContact CB-CD1 4.11Å; N126-I185 HydrophobicContact CB-CG1 4.42Å |
| 127 | I | 97.2 | Very high | 92.7 | Very high | 0 Ų | 0 | 25.9 Ų | 25.9 | 0% | 0 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -67.4 | -41.1 | 178.3 | -61.8 | 172.5 | 0 | 0 | 0 | 110.3 | I123 R124 F129 S130 A131 V148 V151 I152 I185 V188 | I123-I127 HydrophobicContact CG2-CD1 3.91Å; I123-I127 WeakPolarHBondContact O-CG1 3.34Å; I123-I127 PolarHBondContact O-N 3.32Å; I123-I127 VanDerWaalsContact O-N 3.14Å; R124-I127 PolarHBondContact O-N 3.12Å; I127-F129 VanDerWaalsContact C-N 3.32Å; I127-F129 PolarHBondContact O-N 2.81Å; I127-S130 WeakPolarHBondContact O-CB 3.33Å; I127-S130 PolarHBondContact O-N 2.95Å; I127-A131 WeakPolarHBondContact O-CB 3.06Å; I127-A131 PolarHBondContact O-N 2.97Å; I127-V148 HydrophobicContact CB-CG1 4.25Å; I127-V148 HydrophobicContact CG2-CB 4.4Å; I127-V148 HydrophobicContact CG2-CG1 3.89Å; I127-V148 HydrophobicContact CG2-CG2 4.24Å; I127-V151 HydrophobicContact CG2-CG1 4.39Å; I127-I152 HydrophobicContact CD1-CD1 4.34Å; I127-I152 HydrophobicContact CD1-CG1 3.63Å; I127-I185 HydrophobicContact CG1-CG1 4.44Å; I127-V188 HydrophobicContact CG2-CG2 3.42Å; I127-V188 VanDerWaalsContact CG2-CG2 3.42Å |
| 128 | T | 96.6 | Very high | 92 | Very high | 36 Ų | 36 | 29.9 Ų | 29.9 | 22% | 0.221 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -63.2 | -37.6 | 176.4 | -55.8 | 0 | 0 | 0 | 0 | 112 | R124 E125 A131 T132 | R124-T128 VanDerWaalsContact O-CB 3.26Å; R124-T128 WeakPolarHBondContact O-CB 3.07Å; R124-T128 PolarHBondContact O-N 2.92Å; R124-T128 PolarHBondContact O-OG1 2.9Å; E125-T128 PolarHBondContact O-N 3.32Å; T128-A131 WeakPolarHBondContact O-CB 3.11Å; T128-A131 PolarHBondContact O-N 2.93Å; T128-T132 VanDerWaalsContact O-CB 3.24Å; T128-T132 WeakPolarHBondContact O-CB 3.19Å; T128-T132 PolarHBondContact O-N 3.16Å; T128-T132 PolarHBondContact O-OG1 3.28Å |
| 129 | F | 95.9 | Very high | 91.6 | Very high | 15 Ų | 15 | 29.5 Ų | 29.5 | 7% | 0.066 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -61.6 | -45.2 | 174.5 | 176.9 | -98 | 0 | 0 | 0 | 111.2 | E125 N126 I127 T132 L133 T516 L517 R520 F601 Y602 | E125-F129 VanDerWaalsContact O-CB 3.31Å; E125-F129 WeakPolarHBondContact O-CB 3.46Å; E125-F129 PolarHBondContact O-N 2.75Å; N126-F129 WeakPolarHBondContact O-CB 3.46Å; N126-F129 PolarHBondContact O-N 3.28Å; I127-F129 VanDerWaalsContact C-N 3.32Å; I127-F129 PolarHBondContact O-N 2.81Å; F129-T132 PolarHBondContact O-N 3.17Å; F129-L133 HydrophobicContact CD1-CD1 4.41Å; F129-L133 HydrophobicContact CD2-CD1 4.35Å; F129-L133 HydrophobicContact CE1-CD1 3.77Å; F129-L133 HydrophobicContact CE2-CD1 3.7Å; F129-L133 HydrophobicContact CZ-CD1 3.36Å; F129-L133 PolarHBondContact O-N 3.47Å; F129-T516 HydrophobicContact CD2-CG2 3.77Å; F129-T516 HydrophobicContact CE2-CG2 3.83Å; F129-L517 HydrophobicContact CE2-CD2 4.16Å; F129-L517 HydrophobicContact CZ-CD2 3.85Å; F129-R520 HydrophobicContact CD2-CB 4.34Å; F129-R520 HydrophobicContact CE2-CB 4.2Å; F129-R520 VanDerWaalsContact CZ-NH1 3.32Å; F129-F601 HydrophobicContact CD1-CD1 4.17Å; F129-F601 HydrophobicContact CD1-CE1 4.11Å; F129-F601 AromaticContact CE1-CD1 3.75Å; F129-F601 HydrophobicContact CE1-CD1 3.75Å; F129-F601 HydrophobicContact CE1-CE1 4.09Å; F129-Y602 HydrophobicContact CZ-CE1 4.31Å |
| 130 | S | 93.9 | Very high | 91.5 | Very high | 0 Ų | 0 | 28.9 Ų | 28.9 | 0% | 0 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -60.3 | -47.8 | 173.5 | -168.2 | 0 | 0 | 0 | 0 | 111.8 | N126 I127 T132 L133 R134 I185 F601 | N126-S130 PolarHBondContact O-N 3.45Å; I127-S130 WeakPolarHBondContact O-CB 3.33Å; I127-S130 PolarHBondContact O-N 2.95Å; S130-T132 VanDerWaalsContact C-N 3.32Å; S130-T132 PolarHBondContact O-N 2.86Å; S130-L133 PolarHBondContact O-N 2.87Å; S130-R134 VanDerWaalsContact O-CB 3.31Å; S130-R134 WeakPolarHBondContact O-CB 3.47Å; S130-R134 WeakPolarHBondContact O-CG 3.31Å; S130-R134 PolarHBondContact O-N 3.25Å; S130-R134 VanDerWaalsContact OG-CD 3.26Å; S130-R134 WeakPolarHBondContact OG-CD 3.33Å; S130-I185 PolarHBondContact OG-O 3.49Å; S130-F601 WeakPolarHBondContact OG-CZ 3.36Å |
| 131 | A | 93.4 | Very high | 91.4 | Very high | 0 Ų | 0 | 30.6 Ų | 30.6 | 0% | 0 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -55.7 | -47.8 | 177.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | I127 T128 L133 L135 R144 V148 V188 | I127-A131 WeakPolarHBondContact O-CB 3.06Å; I127-A131 PolarHBondContact O-N 2.97Å; T128-A131 WeakPolarHBondContact O-CB 3.11Å; T128-A131 PolarHBondContact O-N 2.93Å; A131-L133 VanDerWaalsContact C-N 3.3Å; A131-L133 PolarHBondContact O-N 3.36Å; A131-L135 HydrophobicContact CB-CD1 3.92Å; A131-L135 WeakPolarHBondContact O-CB 3.49Å; A131-L135 WeakPolarHBondContact O-CG 3.36Å; A131-L135 PolarHBondContact O-N 3.3Å; A131-R144 HydrophobicContact CB-CG 3.75Å; A131-V148 HydrophobicContact CB-CG2 3.63Å; A131-V188 HydrophobicContact CB-CG1 3.58Å |
| 132 | T | 93.3 | Very high | 91.4 | Very high | 16 Ų | 16 | 39.5 Ų | 39.5 | 10% | 0.098 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -62.3 | -36.9 | -176.4 | -67.3 | 0 | 0 | 0 | 0 | 112.3 | T128 F129 S130 R144 T508 Y512 T516 | T128-T132 VanDerWaalsContact O-CB 3.24Å; T128-T132 WeakPolarHBondContact O-CB 3.19Å; T128-T132 PolarHBondContact O-N 3.16Å; T128-T132 PolarHBondContact O-OG1 3.28Å; F129-T132 PolarHBondContact O-N 3.17Å; S130-T132 VanDerWaalsContact C-N 3.32Å; S130-T132 PolarHBondContact O-N 2.86Å; T132-R144 PolarHBondContact OG1-NH1 3.3Å; T132-T508 WeakPolarHBondContact O-CG2 3.22Å; T132-Y512 HydrophobicContact CG2-CE1 3.48Å; T132-Y512 VanDerWaalsContact CG2-CE1 3.48Å; T132-Y512 WeakPolarHBondContact CG2-OH 3.15Å; T132-Y512 WeakPolarHBondContact O-CE1 3.49Å; T132-T516 HydrophobicContact CG2-CG2 3.75Å |
| 133 | L | 91.5 | Very high | 91.2 | Very high | 7 Ų | 7 | 44.1 Ų | 44.1 | 4% | 0.037 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -92.1 | -28.4 | -175.8 | -67.7 | -179 | 0 | 0 | 0 | 114.2 | F129 S130 A131 Q513 T516 F601 Y602 | F129-L133 HydrophobicContact CD1-CD1 4.41Å; F129-L133 HydrophobicContact CD2-CD1 4.35Å; F129-L133 HydrophobicContact CE1-CD1 3.77Å; F129-L133 HydrophobicContact CE2-CD1 3.7Å; F129-L133 HydrophobicContact CZ-CD1 3.36Å; F129-L133 PolarHBondContact O-N 3.47Å; S130-L133 PolarHBondContact O-N 2.87Å; A131-L133 VanDerWaalsContact C-N 3.3Å; A131-L133 PolarHBondContact O-N 3.36Å; L133-Q513 HydrophobicContact CD2-CG 4.14Å; L133-T516 HydrophobicContact CD2-CG2 4.11Å; L133-T516 HydrophobicContact CG-CG2 4.19Å; L133-F601 HydrophobicContact CB-CB 4.5Å; L133-F601 HydrophobicContact CB-CD1 4.4Å; L133-F601 HydrophobicContact CD1-CB 4.14Å; L133-F601 HydrophobicContact CD1-CD1 4.09Å; L133-Y602 HydrophobicContact CD1-CD1 3.93Å |
| 134 | R | 88.9 | Confident | 91 | Very high | 22 Ų | 22 | 45.4 Ų | 45.4 | 8% | 0.083 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -101.5 | -28.1 | -172.6 | -62.6 | 172.8 | 74.1 | 165.5 | 2.6 | 114 | S130 I185 E186 F601 | S130-R134 VanDerWaalsContact O-CB 3.31Å; S130-R134 WeakPolarHBondContact O-CB 3.47Å; S130-R134 WeakPolarHBondContact O-CG 3.31Å; S130-R134 PolarHBondContact O-N 3.25Å; S130-R134 VanDerWaalsContact OG-CD 3.26Å; S130-R134 WeakPolarHBondContact OG-CD 3.33Å; R134-I185 PolarHBondContact NH1-O 2.87Å; R134-E186 IonicContact CZ-OE2 3.07Å; R134-E186 VanDerWaalsContact NH1-CD 3.31Å; R134-E186 IonicContact NH1-OE1 3.66Å; R134-E186 PolarHBondContact NH1-OE1 2.92Å; R134-E186 IonicContact NH1-OE2 3.79Å; R134-E186 PolarHBondContact NH1-OE2 2.85Å; R134-E186 IonicContact NH2-OE2 3.68Å; R134-E186 PolarHBondContact NH2-OE2 3.01Å; R134-F601 HydrophobicContact CG-CD2 4.29Å; R134-F601 HydrophobicContact CG-CE2 4.34Å; R134-F601 HydrophobicContact CG-CG 4.48Å |
| 135 | L | 86.8 | Confident | 90.9 | Very high | 24 Ų | 24 | 46 Ų | 46 | 13% | 0.126 | 24% | 0.241 | C | C | . | . | S | Bend | trans | -73.8 | 153.2 | 177.1 | -66.6 | 171.3 | 0 | 0 | 0 | 111.3 | A131 R144 K147 V188 | A131-L135 HydrophobicContact CB-CD1 3.92Å; A131-L135 WeakPolarHBondContact O-CB 3.49Å; A131-L135 WeakPolarHBondContact O-CG 3.36Å; A131-L135 PolarHBondContact O-N 3.3Å; L135-R144 HydrophobicContact CD1-CG 3.93Å; L135-K147 HydrophobicContact CD1-CG 4.44Å; L135-V188 HydrophobicContact CD1-CG1 3.87Å; L135-V188 HydrophobicContact CD2-CG1 4.34Å; L135-V188 HydrophobicContact CG-CG1 4.08Å |
| 136 | P | 80.7 | Confident | 90.8 | Very high | 36 Ų | 36 | 48.7 Ų | 48.7 | 23% | 0.234 | 25% | 0.254 | C | S | . | . | trans | -55.3 | 143.7 | 175.3 | -24 | 34.3 | 0 | 0 | 0 | 111.9 | C138 T139 Y476 | P136-C138 PolarHBondContact O-N 3.48Å; P136-C138 VanDerWaalsContact O-N 3.15Å; P136-T139 VanDerWaalsContact O-CB 3.27Å; P136-T139 WeakPolarHBondContact O-CB 3.44Å; P136-T139 PolarHBondContact O-N 3.5Å; P136-T139 PolarHBondContact O-OG1 3.49Å; P136-Y476 HydrophobicContact CB-CE1 4.39Å; P136-Y476 HydrophobicContact CG-CE1 4.3Å | ||
| 137 | R | 76.9 | Confident | 90.6 | Very high | 114 Ų | 114 | 50.8 Ų | 50.8 | 43% | 0.43 | 26% | 0.263 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63.2 | -23.8 | -179.8 | -64.7 | -164.5 | -151 | 162.4 | 5.9 | 114.3 | T139 S507 T508 T509 | R137-T139 PolarHBondContact O-N 3.36Å; R137-S507 PolarHBondContact NE-O 3.44Å; R137-S507 PolarHBondContact NH2-O 3.15Å; R137-T508 HydrophobicContact CG-CG2 4.29Å; R137-T508 VanDerWaalsContact NE-CA 3.29Å; R137-T508 VanDerWaalsContact NH2-C 3.27Å; R137-T509 VanDerWaalsContact CZ-CA 3.45Å; R137-T509 VanDerWaalsContact CZ-CG2 3.46Å; R137-T509 VanDerWaalsContact CZ-OG1 3.28Å; R137-T509 PolarHBondContact NH1-OG1 3.07Å; R137-T509 VanDerWaalsContact NH1-OG1 3.14Å |
| 138 | C | 80.1 | Confident | 90.6 | Very high | 92 Ų | 92 | 50.9 Ų | 50.9 | 62% | 0.622 | 26% | 0.263 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73.5 | -13.1 | 177.5 | 54.2 | 0 | 0 | 0 | 0 | 112.9 | P136 A140 | P136-C138 PolarHBondContact O-N 3.48Å; P136-C138 VanDerWaalsContact O-N 3.15Å; C138-A140 PolarHBondContact O-N 3Å |
| 139 | T | 84.5 | Confident | 90.7 | Very high | 18 Ų | 18 | 51.7 Ų | 51.7 | 11% | 0.11 | 27% | 0.27 | C | S | . | . | S | Bend | trans | -65.9 | 116.3 | 174.3 | -56.6 | 0 | 0 | 0 | 0 | 109.3 | P136 R137 E143 R144 | P136-T139 VanDerWaalsContact O-CB 3.27Å; P136-T139 WeakPolarHBondContact O-CB 3.44Å; P136-T139 PolarHBondContact O-N 3.5Å; P136-T139 PolarHBondContact O-OG1 3.49Å; R137-T139 PolarHBondContact O-N 3.36Å; T139-E143 HydrophobicContact CG2-CB 4.08Å; T139-E143 HydrophobicContact CG2-CG 4.04Å; T139-R144 HydrophobicContact CG2-CB 4.22Å; T139-R144 PolarHBondContact O-NH2 2.94Å |
| 140 | A | 88.5 | Confident | 90.7 | Very high | 56 Ų | 56 | 52.6 Ų | 52.6 | 46% | 0.463 | 28% | 0.279 | S | S | . | . | trans | -60.2 | 152.6 | 179.3 | 0 | 0 | 0 | 0 | 0 | 110.6 | C138 R142 E143 R144 | C138-A140 PolarHBondContact O-N 3Å; A140-R142 VanDerWaalsContact C-N 3.29Å; A140-R142 PolarHBondContact O-N 3.42Å; A140-E143 HydrophobicContact CB-CB 4.36Å; A140-E143 PolarHBondContact O-N 3.01Å; A140-R144 PolarHBondContact O-N 3.31Å | ||
| 141 | A | 91.1 | Very high | 90.8 | Very high | 65 Ų | 65 | 52.7 Ų | 52.7 | 54% | 0.537 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -56.5 | -44.5 | 180 | 0 | 0 | 0 | 0 | 0 | 111.7 | E143 R144 D145 | A141-E143 PolarHBondContact O-N 3.05Å; A141-R144 VanDerWaalsContact O-CB 3.3Å; A141-R144 WeakPolarHBondContact O-CB 3.27Å; A141-R144 PolarHBondContact O-N 3.33Å; A141-D145 VanDerWaalsContact O-CG 3.29Å; A141-D145 PolarHBondContact O-N 2.8Å |
| 142 | R | 94.1 | Very high | 91 | Very high | 190 Ų | 190 | 52.8 Ų | 52.8 | 72% | 0.717 | 28% | 0.28 | S | S | * | . | H | α-helix | trans | -59.7 | -47.7 | 176.8 | -178.9 | 177.7 | 173.1 | 156.5 | 2.2 | 113.2 | A140 R144 D145 E146 | A140-R142 VanDerWaalsContact C-N 3.29Å; A140-R142 PolarHBondContact O-N 3.42Å; R142-R144 PolarHBondContact O-N 3.31Å; R142-D145 PolarHBondContact O-N 3.02Å; R142-E146 WeakPolarHBondContact CG-OE1 3.38Å; R142-E146 IonicContact CZ-OE1 3.69Å; R142-E146 IonicContact NE-OE1 3.8Å; R142-E146 PolarHBondContact NE-OE1 2.73Å; R142-E146 IonicContact NH2-OE1 3.74Å; R142-E146 WeakPolarHBondContact O-CG 3.48Å; R142-E146 PolarHBondContact O-N 3.24Å |
| 143 | E | 92.4 | Very high | 91.1 | Very high | 109 Ų | 109 | 58.6 Ų | 58.6 | 51% | 0.509 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -61.6 | -36.6 | 178.2 | -174.1 | -170.5 | 170.2 | 0 | 0 | 111.4 | T139 A140 A141 K147 | T139-E143 HydrophobicContact CG2-CB 4.08Å; T139-E143 HydrophobicContact CG2-CG 4.04Å; A140-E143 HydrophobicContact CB-CB 4.36Å; A140-E143 PolarHBondContact O-N 3.01Å; A141-E143 PolarHBondContact O-N 3.05Å; E143-K147 WeakPolarHBondContact O-CB 3.2Å; E143-K147 PolarHBondContact O-N 3.35Å |
| 144 | R | 92.9 | Very high | 91.2 | Very high | 27 Ų | 27 | 60.2 Ų | 60.2 | 10% | 0.102 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -64.2 | -45.2 | 174.6 | -169.8 | -175.5 | -49.1 | 166.2 | 9.3 | 111.9 | A131 T132 L135 T139 A140 A141 R142 E146 K147 V148 Y512 | A131-R144 HydrophobicContact CB-CG 3.75Å; T132-R144 PolarHBondContact OG1-NH1 3.3Å; L135-R144 HydrophobicContact CD1-CG 3.93Å; T139-R144 HydrophobicContact CG2-CB 4.22Å; T139-R144 PolarHBondContact O-NH2 2.94Å; A140-R144 PolarHBondContact O-N 3.31Å; A141-R144 VanDerWaalsContact O-CB 3.3Å; A141-R144 WeakPolarHBondContact O-CB 3.27Å; A141-R144 PolarHBondContact O-N 3.33Å; R142-R144 PolarHBondContact O-N 3.31Å; R144-E146 VanDerWaalsContact C-N 3.34Å; R144-K147 WeakPolarHBondContact O-CB 3.41Å; R144-K147 PolarHBondContact O-N 2.57Å; R144-V148 WeakPolarHBondContact O-CG2 3.44Å; R144-V148 PolarHBondContact O-N 3.23Å; R144-Y512 PolarHBondContact NH1-OH 2.87Å |
| 145 | D | 95.8 | Very high | 91.5 | Very high | 83 Ų | 83 | 59.2 Ų | 59.2 | 44% | 0.444 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -68.2 | -36 | -180 | -64.9 | -23.5 | 0 | 0 | 0 | 111.7 | A141 R142 V148 S149 | A141-D145 VanDerWaalsContact O-CG 3.29Å; A141-D145 PolarHBondContact O-N 2.8Å; R142-D145 PolarHBondContact O-N 3.02Å; D145-V148 PolarHBondContact O-N 3.16Å; D145-S149 WeakPolarHBondContact O-CB 3.26Å; D145-S149 PolarHBondContact O-N 2.82Å; D145-S149 PolarHBondContact O-OG 3.37Å |
| 146 | E | 96.1 | Very high | 91.9 | Very high | 105 Ų | 105 | 59.6 Ų | 59.6 | 49% | 0.491 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -62.6 | -43.6 | 170.5 | -73.3 | 170.7 | -172.6 | 0 | 0 | 110.8 | R142 R144 S149 S150 | R142-E146 WeakPolarHBondContact CG-OE1 3.38Å; R142-E146 IonicContact CZ-OE1 3.69Å; R142-E146 IonicContact NE-OE1 3.8Å; R142-E146 PolarHBondContact NE-OE1 2.73Å; R142-E146 IonicContact NH2-OE1 3.74Å; R142-E146 WeakPolarHBondContact O-CG 3.48Å; R142-E146 PolarHBondContact O-N 3.24Å; R144-E146 VanDerWaalsContact C-N 3.34Å; E146-S149 PolarHBondContact O-N 3.23Å; E146-S150 WeakPolarHBondContact O-CB 3.35Å; E146-S150 PolarHBondContact O-N 2.95Å |
| 147 | K | 93.1 | Very high | 92.7 | Very high | 52 Ų | 52 | 57.9 Ų | 57.9 | 23% | 0.226 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -61.6 | -45.9 | 175 | -177.8 | 66.9 | -175.4 | -176.6 | 0 | 112 | L135 E143 R144 S149 S150 V151 V188 D190 | L135-K147 HydrophobicContact CD1-CG 4.44Å; E143-K147 WeakPolarHBondContact O-CB 3.2Å; E143-K147 PolarHBondContact O-N 3.35Å; R144-K147 WeakPolarHBondContact O-CB 3.41Å; R144-K147 PolarHBondContact O-N 2.57Å; K147-S149 VanDerWaalsContact C-N 3.34Å; K147-S150 PolarHBondContact O-N 3.11Å; K147-V151 WeakPolarHBondContact O-CG2 3.25Å; K147-V151 PolarHBondContact O-N 2.87Å; K147-V151 VanDerWaalsContact O-N 3.07Å; K147-V188 WeakPolarHBondContact CE-O 3.24Å; K147-V188 HydrophobicContact CG-CG1 4.34Å; K147-D190 WeakPolarHBondContact CE-OD2 3.38Å; K147-D190 IonicContact NZ-OD1 3.47Å; K147-D190 PolarHBondContact NZ-OD1 3.06Å; K147-D190 IonicContact NZ-OD2 2.82Å; K147-D190 PolarHBondContact NZ-OD2 2.89Å |
| 148 | V | 97 | Very high | 93.6 | Very high | 2 Ų | 2 | 56.7 Ų | 56.7 | 1% | 0.012 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -59.7 | -46.6 | 176.7 | 169 | 0 | 0 | 0 | 0 | 110.4 | R124 I127 A131 R144 D145 S150 V151 I152 | R124-V148 HydrophobicContact CG-CG1 4.18Å; I127-V148 HydrophobicContact CB-CG1 4.25Å; I127-V148 HydrophobicContact CG2-CB 4.4Å; I127-V148 HydrophobicContact CG2-CG1 3.89Å; I127-V148 HydrophobicContact CG2-CG2 4.24Å; A131-V148 HydrophobicContact CB-CG2 3.63Å; R144-V148 WeakPolarHBondContact O-CG2 3.44Å; R144-V148 PolarHBondContact O-N 3.23Å; D145-V148 PolarHBondContact O-N 3.16Å; V148-S150 PolarHBondContact O-N 3.01Å; V148-V151 PolarHBondContact O-N 2.99Å; V148-I152 HydrophobicContact CG1-CD1 3.82Å; V148-I152 WeakPolarHBondContact O-CG1 3.42Å; V148-I152 PolarHBondContact O-N 3.14Å |
| 149 | S | 97.8 | Very high | 94.4 | Very high | 52 Ų | 52 | 57.9 Ų | 57.9 | 36% | 0.364 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -64 | -41.1 | -179.8 | -59.5 | 0 | 0 | 0 | 0 | 111.8 | R124 D145 E146 K147 V151 I152 E153 | R124-S149 PolarHBondContact NH1-OG 2.99Å; D145-S149 WeakPolarHBondContact O-CB 3.26Å; D145-S149 PolarHBondContact O-N 2.82Å; D145-S149 PolarHBondContact O-OG 3.37Å; E146-S149 PolarHBondContact O-N 3.23Å; K147-S149 VanDerWaalsContact C-N 3.34Å; S149-V151 VanDerWaalsContact C-N 3.33Å; S149-V151 PolarHBondContact O-N 3.2Å; S149-I152 PolarHBondContact O-N 3.4Å; S149-E153 PolarHBondContact O-N 2.96Å |
| 150 | S | 95.6 | Very high | 95 | Very high | 35 Ų | 35 | 57.7 Ų | 57.7 | 25% | 0.245 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -61.9 | -38 | 174.5 | 177.7 | 0 | 0 | 0 | 0 | 112.6 | E146 K147 V148 E154 | E146-S150 WeakPolarHBondContact O-CB 3.35Å; E146-S150 PolarHBondContact O-N 2.95Å; K147-S150 PolarHBondContact O-N 3.11Å; V148-S150 PolarHBondContact O-N 3.01Å; S150-E154 WeakPolarHBondContact O-CB 3.38Å; S150-E154 PolarHBondContact O-N 3.45Å |
| 151 | V | 95.9 | Very high | 95.4 | Very high | 1 Ų | 1 | 55 Ų | 55 | 1% | 0.006 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -68.6 | -41 | 177.3 | 170.3 | 0 | 0 | 0 | 0 | 111.1 | I127 K147 V148 S149 E153 E154 L155 L187 | I127-V151 HydrophobicContact CG2-CG1 4.39Å; K147-V151 WeakPolarHBondContact O-CG2 3.25Å; K147-V151 PolarHBondContact O-N 2.87Å; K147-V151 VanDerWaalsContact O-N 3.07Å; V148-V151 PolarHBondContact O-N 2.99Å; S149-V151 VanDerWaalsContact C-N 3.33Å; S149-V151 PolarHBondContact O-N 3.2Å; V151-E153 VanDerWaalsContact C-N 3.31Å; V151-E153 PolarHBondContact O-N 2.93Å; V151-E154 PolarHBondContact O-N 3.01Å; V151-L155 HydrophobicContact CG1-CD1 3.86Å; V151-L155 WeakPolarHBondContact O-CD1 3.38Å; V151-L155 VanDerWaalsContact O-CG 3.29Å; V151-L155 WeakPolarHBondContact O-CG 3.49Å; V151-L155 PolarHBondContact O-N 3.39Å; V151-L155 VanDerWaalsContact O-N 3.12Å; V151-L187 HydrophobicContact CG1-CB 4.12Å |
| 152 | I | 97.5 | Very high | 95.7 | Very high | 3 Ų | 3 | 57 Ų | 57 | 2% | 0.015 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -61.3 | -42.6 | 177 | -71.5 | 168.4 | 0 | 0 | 0 | 110.9 | R124 I127 V148 S149 L155 G156 L157 A161 | R124-I152 HydrophobicContact CB-CD1 4Å; R124-I152 HydrophobicContact CG-CD1 3.99Å; I127-I152 HydrophobicContact CD1-CD1 4.34Å; I127-I152 HydrophobicContact CD1-CG1 3.63Å; V148-I152 HydrophobicContact CG1-CD1 3.82Å; V148-I152 WeakPolarHBondContact O-CG1 3.42Å; V148-I152 PolarHBondContact O-N 3.14Å; S149-I152 PolarHBondContact O-N 3.4Å; I152-L155 PolarHBondContact O-N 3.18Å; I152-G156 PolarHBondContact O-N 3.41Å; I152-L157 HydrophobicContact CG2-CB 4.09Å; I152-L157 PolarHBondContact O-N 3.03Å; I152-A161 HydrophobicContact CD1-CB 4.32Å; I152-A161 HydrophobicContact CG2-CB 3.79Å |
| 153 | E | 96.4 | Very high | 95.7 | Very high | 137 Ų | 137 | 53.8 Ų | 53.8 | 64% | 0.64 | 29% | 0.289 | S | S | * | . | H | α-helix | trans | -65.2 | -47 | 176.8 | -173.1 | -178.2 | -171.4 | 0 | 0 | 111.8 | S149 V151 L155 G156 | S149-E153 PolarHBondContact O-N 2.96Å; V151-E153 VanDerWaalsContact C-N 3.31Å; V151-E153 PolarHBondContact O-N 2.93Å; E153-L155 PolarHBondContact O-N 3.21Å; E153-G156 PolarHBondContact O-N 3.45Å |
| 154 | E | 93.4 | Very high | 95.8 | Very high | 42 Ų | 42 | 52 Ų | 52 | 20% | 0.196 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -58 | -34.4 | 179.1 | -162.1 | 177.8 | -169.9 | 0 | 0 | 111.7 | S150 V151 G156 L218 R223 | S150-E154 WeakPolarHBondContact O-CB 3.38Å; S150-E154 PolarHBondContact O-N 3.45Å; V151-E154 PolarHBondContact O-N 3.01Å; E154-G156 VanDerWaalsContact C-N 3.34Å; E154-L218 HydrophobicContact CG-CD2 3.64Å; E154-L218 VanDerWaalsContact OE1-CD2 3.32Å; E154-L218 WeakPolarHBondContact OE1-CD2 3.46Å; E154-R223 VanDerWaalsContact CD-NH1 3.26Å; E154-R223 IonicContact OE1-CZ 2.92Å; E154-R223 IonicContact OE1-NH1 3.92Å; E154-R223 PolarHBondContact OE1-NH1 3.22Å; E154-R223 IonicContact OE2-CZ 3.79Å; E154-R223 IonicContact OE2-NH1 3.83Å; E154-R223 PolarHBondContact OE2-NH1 3.15Å; E154-R223 IonicContact OE2-NH2 3.93Å |
| 155 | L | 95.7 | Very high | 95.9 | Very high | 0 Ų | 0 | 50.8 Ų | 50.8 | 0% | 0 | 28% | 0.277 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -81.9 | -8.9 | 177.4 | -66.9 | 167.4 | 0 | 0 | 0 | 114.3 | V151 I152 E153 L157 R180 I183 L187 T214 L218 | V151-L155 HydrophobicContact CG1-CD1 3.86Å; V151-L155 WeakPolarHBondContact O-CD1 3.38Å; V151-L155 VanDerWaalsContact O-CG 3.29Å; V151-L155 WeakPolarHBondContact O-CG 3.49Å; V151-L155 PolarHBondContact O-N 3.39Å; V151-L155 VanDerWaalsContact O-N 3.12Å; I152-L155 PolarHBondContact O-N 3.18Å; E153-L155 PolarHBondContact O-N 3.21Å; L155-L157 HydrophobicContact CB-CD1 3.93Å; L155-L157 HydrophobicContact CB-CG 3.94Å; L155-L157 HydrophobicContact CD1-CD1 4.13Å; L155-R180 WeakPolarHBondContact CD1-O 3.47Å; L155-R180 WeakPolarHBondContact O-CD 3.23Å; L155-R180 PolarHBondContact O-NH1 3.15Å; L155-I183 HydrophobicContact CD2-CB 4.34Å; L155-I183 HydrophobicContact CD2-CG2 3.97Å; L155-L187 HydrophobicContact CD1-CD1 4.48Å; L155-L187 HydrophobicContact CD2-CD1 3.9Å; L155-L187 HydrophobicContact CG-CD1 4.31Å; L155-T214 HydrophobicContact CD2-CG2 3.75Å; L155-L218 HydrophobicContact CD2-CD1 4.21Å |
| 156 | G | 95 | Very high | 95.7 | Very high | 32 Ų | 32 | 46.9 Ų | 46.9 | 33% | 0.33 | 26% | 0.257 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 63.2 | 44 | -173.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | I152 E153 E154 R180 | I152-G156 PolarHBondContact O-N 3.41Å; E153-G156 PolarHBondContact O-N 3.45Å; E154-G156 VanDerWaalsContact C-N 3.34Å; G156-R180 PolarHBondContact O-NH1 3.37Å |
| 157 | L | 96.8 | Very high | 95.2 | Very high | 0 Ų | 0 | 43.6 Ų | 43.6 | 0% | 0 | 24% | 0.244 | C | C | . | . | trans | -110.1 | 8 | 178.5 | -67.1 | 176.1 | 0 | 0 | 0 | 112.9 | I123 I152 L155 S159 V160 A161 E177 R180 | I123-L157 HydrophobicContact CD1-CD2 4.33Å; I123-L157 HydrophobicContact CG2-CD1 3.97Å; I152-L157 HydrophobicContact CG2-CB 4.09Å; I152-L157 PolarHBondContact O-N 3.03Å; L155-L157 HydrophobicContact CB-CD1 3.93Å; L155-L157 HydrophobicContact CB-CG 3.94Å; L155-L157 HydrophobicContact CD1-CD1 4.13Å; L157-S159 VanDerWaalsContact C-N 3.31Å; L157-S159 PolarHBondContact O-N 3.27Å; L157-V160 HydrophobicContact CB-CG2 4.39Å; L157-V160 HydrophobicContact CD2-CG2 4.01Å; L157-V160 CarbonylContact O-C 3.5Å; L157-V160 PolarHBondContact O-N 3.15Å; L157-V160 VanDerWaalsContact O-N 3.1Å; L157-A161 WeakPolarHBondContact O-CA 3.41Å; L157-A161 PolarHBondContact O-N 3.22Å; L157-E177 HydrophobicContact CD2-CB 4.06Å; L157-E177 HydrophobicContact CD2-CG 4.01Å; L157-R180 HydrophobicContact CD1-CB 3.92Å; L157-R180 HydrophobicContact CD2-CB 4.14Å; L157-R180 HydrophobicContact CG-CB 4.26Å | ||
| 158 | T | 96.9 | Very high | 94.4 | Very high | 90 Ų | 90 | 50.9 Ų | 50.9 | 55% | 0.552 | 28% | 0.279 | S | S | * | . | G | 310 helix | trans | -56.5 | -41 | -174.1 | -44 | 0 | 0 | 0 | 0 | 113.2 | V160 | T158-V160 VanDerWaalsContact C-N 3.27Å; T158-V160 PolarHBondContact O-N 3.47Å |
| 159 | S | 96.3 | Very high | 93.4 | Very high | 116 Ų | 116 | 56 Ų | 56 | 81% | 0.811 | 32% | 0.315 | S | S | * | . | G | 310 helix | trans | -67.7 | -24.3 | -179.5 | 55.5 | 0 | 0 | 0 | 0 | 114 | L157 | L157-S159 VanDerWaalsContact C-N 3.31Å; L157-S159 PolarHBondContact O-N 3.27Å |
| 160 | V | 96.5 | Very high | 92.6 | Very high | 15 Ų | 15 | 56.9 Ų | 56.9 | 9% | 0.091 | 32% | 0.318 | C | S | . | . | G | 310 helix | trans | -117.6 | 10.7 | -176.2 | -67.5 | 0 | 0 | 0 | 0 | 112.6 | I123 L157 T158 D162 R163 E177 | I123-V160 HydrophobicContact CD1-CB 4.31Å; I123-V160 HydrophobicContact CD1-CG2 3.79Å; L157-V160 HydrophobicContact CB-CG2 4.39Å; L157-V160 HydrophobicContact CD2-CG2 4.01Å; L157-V160 CarbonylContact O-C 3.5Å; L157-V160 PolarHBondContact O-N 3.15Å; L157-V160 VanDerWaalsContact O-N 3.1Å; T158-V160 VanDerWaalsContact C-N 3.27Å; T158-V160 PolarHBondContact O-N 3.47Å; V160-D162 VanDerWaalsContact C-N 3.25Å; V160-D162 PolarHBondContact O-N 3.34Å; V160-R163 HydrophobicContact CB-CB 4.34Å; V160-R163 VanDerWaalsContact O-CB 3.31Å; V160-R163 WeakPolarHBondContact O-CB 3.15Å; V160-R163 PolarHBondContact O-N 2.92Å; V160-E177 WeakPolarHBondContact CG1-OE1 3.48Å; V160-E177 HydrophobicContact CG2-CG 4.25Å |
| 161 | A | 96.8 | Very high | 92.1 | Very high | 0 Ų | 0 | 61.1 Ų | 61.1 | 0% | 0 | 35% | 0.346 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -56.2 | -38.8 | -171.3 | 0 | 0 | 0 | 0 | 0 | 113.2 | I123 R124 I152 L157 | I123-A161 WeakPolarHBondContact CB-O 3.21Å; I123-A161 PolarHBondContact N-O 2.85Å; R124-A161 WeakPolarHBondContact CB-O 3.34Å; R124-A161 PolarHBondContact N-O 3.01Å; I152-A161 HydrophobicContact CD1-CB 4.32Å; I152-A161 HydrophobicContact CG2-CB 3.79Å; L157-A161 WeakPolarHBondContact O-CA 3.41Å; L157-A161 PolarHBondContact O-N 3.22Å |
| 162 | D | 96.7 | Very high | 91.8 | Very high | 107 Ų | 107 | 61.8 Ų | 61.8 | 57% | 0.572 | 35% | 0.354 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -100.5 | 9 | -177.1 | -53.9 | -54.5 | 0 | 0 | 0 | 112.4 | T122 R124 V160 | T122-D162 WeakPolarHBondContact CG2-O 3.42Å; R124-D162 WeakPolarHBondContact CD-OD1 3.37Å; R124-D162 IonicContact CZ-OD1 3.84Å; R124-D162 IonicContact NE-OD1 2.87Å; R124-D162 PolarHBondContact NE-OD1 3.35Å; R124-D162 IonicContact NE-OD2 3.03Å; R124-D162 IonicContact NH2-OD1 3.59Å; R124-D162 IonicContact NH2-OD2 2.76Å; V160-D162 VanDerWaalsContact C-N 3.25Å; V160-D162 PolarHBondContact O-N 3.34Å |
| 163 | R | 95.5 | Very high | 91.6 | Very high | 122 Ų | 122 | 62.4 Ų | 62.4 | 46% | 0.46 | 36% | 0.357 | S | S | . | . | S | Bend | trans | -80.5 | 138.9 | 173.6 | -168 | 170.1 | 177.9 | 169.3 | 0.6 | 110.2 | T122 I123 V160 G172 V173 | T122-R163 VanDerWaalsContact CA-O 3.22Å; T122-R163 WeakPolarHBondContact CA-O 3.46Å; T122-R163 WeakPolarHBondContact CB-O 3.42Å; I123-R163 PolarHBondContact N-O 3.23Å; V160-R163 HydrophobicContact CB-CB 4.34Å; V160-R163 VanDerWaalsContact O-CB 3.31Å; V160-R163 WeakPolarHBondContact O-CB 3.15Å; V160-R163 PolarHBondContact O-N 2.92Å; R163-G172 PolarHBondContact NE-O 3.24Å; R163-G172 PolarHBondContact NH2-O 2.86Å; R163-V173 HydrophobicContact CB-CG1 4.22Å; R163-V173 HydrophobicContact CG-CG1 4.06Å |
| 164 | I | 95.1 | Very high | 91.4 | Very high | 72 Ų | 72 | 58.5 Ų | 58.5 | 37% | 0.369 | 35% | 0.345 | S | S | . | . | B | Isolated β-bridge | trans | -66.5 | 136.4 | 174.3 | -62.2 | 174.6 | 0 | 0 | 0 | 109.2 | E119 T122 G166 | E119-I164 WeakPolarHBondContact O-CG2 3.35Å; T122-I164 HydrophobicContact CG2-CG1 4.03Å; I164-G166 PolarHBondContact O-N 3.45Å |
| 165 | I | 95 | Very high | 91.4 | Very high | 0 Ų | 0 | 58.1 Ų | 58.1 | 0% | 0 | 35% | 0.353 | C | S | . | . | trans | -59.9 | -38.3 | -179.2 | -70.8 | -174.7 | 0 | 0 | 0 | 111.5 | V117 L121 I123 N126 G172 V173 R178 T181 | V117-I165 HydrophobicContact CB-CD1 3.83Å; V117-I165 HydrophobicContact CG1-CD1 4.41Å; V117-I165 HydrophobicContact CG2-CD1 3.81Å; V117-I165 HydrophobicContact CG2-CG2 4Å; L121-I165 WeakPolarHBondContact O-CG1 3.34Å; L121-I165 PolarHBondContact O-N 3.49Å; I123-I165 HydrophobicContact CG1-CG1 4.25Å; N126-I165 WeakPolarHBondContact ND2-CD1 3.37Å; I165-G172 CarbonylContact O-C 3.57Å; I165-G172 WeakPolarHBondContact O-CA 3.41Å; I165-V173 HydrophobicContact CB-CG2 4.47Å; I165-V173 HydrophobicContact CG2-CG2 4.28Å; I165-V173 PolarHBondContact O-N 3.46Å; I165-R178 HydrophobicContact CG2-CG 4.24Å; I165-R178 PolarHBondContact O-NH2 3.13Å; I165-T181 HydrophobicContact CD1-CG2 3.99Å | ||
| 166 | G | 90.6 | Very high | 91.2 | Very high | 1 Ų | 1 | 58.2 Ų | 58.2 | 1% | 0.01 | 35% | 0.353 | C | S | . | . | trans | 87 | 153.5 | 175 | 0 | 0 | 0 | 0 | 0 | 113 | E119 I164 R178 | E119-G166 WeakPolarHBondContact CB-O 3.44Å; E119-G166 PolarHBondContact O-N 3.33Å; I164-G166 PolarHBondContact O-N 3.45Å; G166-R178 PolarHBondContact O-NH2 2.91Å | ||
| 167 | T | 84.6 | Confident | 91.2 | Very high | 36 Ų | 36 | 58.2 Ų | 58.2 | 22% | 0.221 | 35% | 0.345 | C | S | . | . | trans | -100.7 | 178.6 | 176.7 | 63.5 | 0 | 0 | 0 | 0 | 110.2 | E119 S169 T170 | E119-T167 HydrophobicContact CB-CG2 3.86Å; E119-T167 WeakPolarHBondContact OE2-CA 3.31Å; E119-T167 WeakPolarHBondContact OE2-CG2 3.42Å; T167-S169 PolarHBondContact O-N 2.86Å; T167-S169 VanDerWaalsContact O-N 3.16Å; T167-S169 PolarHBondContact OG1-N 3.39Å; T167-S169 PolarHBondContact OG1-OG 3.45Å; T167-T170 PolarHBondContact N-O 3.46Å; T167-T170 PolarHBondContact N-OG1 3.41Å; T167-T170 PolarHBondContact O-N 3.07Å; T167-T170 PolarHBondContact OG1-N 3.28Å; T167-T170 VanDerWaalsContact OG1-N 3.12Å; T167-T170 PolarHBondContact OG1-OG1 3.14Å | ||
| 168 | Q | 76.8 | Confident | 91.2 | Very high | 205 Ų | 205 | 59.9 Ų | 59.9 | 96% | 0.958 | 35% | 0.351 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.6 | -26.9 | 168.9 | -66.2 | 179.6 | -6 | 0 | 0 | 113.1 | ||
| 169 | S | 76.7 | Confident | 91.2 | Very high | 110 Ų | 110 | 55.9 Ų | 55.9 | 77% | 0.769 | 33% | 0.326 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -99.2 | -6.3 | -177.6 | 51.6 | 0 | 0 | 0 | 0 | 114.4 | T167 | T167-S169 PolarHBondContact O-N 2.86Å; T167-S169 VanDerWaalsContact O-N 3.16Å; T167-S169 PolarHBondContact OG1-N 3.39Å; T167-S169 PolarHBondContact OG1-OG 3.45Å |
| 170 | T | 81.2 | Confident | 91.2 | Very high | 70 Ų | 70 | 51.8 Ų | 51.8 | 43% | 0.429 | 29% | 0.293 | S | S | . | . | S | Bend | trans | -130.7 | 127.2 | -178.7 | 53.2 | 0 | 0 | 0 | 0 | 110.2 | T167 G172 | T167-T170 PolarHBondContact N-O 3.46Å; T167-T170 PolarHBondContact N-OG1 3.41Å; T167-T170 PolarHBondContact O-N 3.07Å; T167-T170 PolarHBondContact OG1-N 3.28Å; T167-T170 VanDerWaalsContact OG1-N 3.12Å; T167-T170 PolarHBondContact OG1-OG1 3.14Å; T170-G172 PolarHBondContact O-N 2.76Å |
| 171 | C | 84.4 | Confident | 91.2 | Very high | 124 Ų | 124 | 51 Ų | 51 | 84% | 0.838 | 29% | 0.289 | S | S | * | . | trans | -58.3 | 124.1 | 179.7 | -172.7 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 172 | G | 89.5 | Confident | 91.2 | Very high | 16 Ų | 16 | 51.5 Ų | 51.5 | 17% | 0.165 | 29% | 0.292 | C | S | . | . | trans | -122.3 | -147.3 | -171.6 | 0 | 0 | 0 | 0 | 0 | 113.3 | R163 I165 T170 | R163-G172 PolarHBondContact NE-O 3.24Å; R163-G172 PolarHBondContact NH2-O 2.86Å; I165-G172 CarbonylContact O-C 3.57Å; I165-G172 WeakPolarHBondContact O-CA 3.41Å; T170-G172 PolarHBondContact O-N 2.76Å | ||
| 173 | V | 93.8 | Very high | 91.2 | Very high | 15 Ų | 15 | 46.4 Ų | 46.4 | 9% | 0.091 | 26% | 0.264 | C | S | . | . | trans | -87.8 | 159.5 | 171.7 | -57 | 0 | 0 | 0 | 0 | 110.7 | I123 R163 I165 E177 R178 | I123-V173 HydrophobicContact CD1-CG1 4.05Å; I123-V173 HydrophobicContact CG1-CG1 4.42Å; R163-V173 HydrophobicContact CB-CG1 4.22Å; R163-V173 HydrophobicContact CG-CG1 4.06Å; I165-V173 HydrophobicContact CB-CG2 4.47Å; I165-V173 HydrophobicContact CG2-CG2 4.28Å; I165-V173 PolarHBondContact O-N 3.46Å; V173-E177 HydrophobicContact CB-CB 3.95Å; V173-E177 HydrophobicContact CG2-CB 4.19Å; V173-R178 HydrophobicContact CG2-CB 4.04Å | ||
| 174 | S | 93 | Very high | 91.2 | Very high | 55 Ų | 55 | 40.6 Ų | 40.6 | 39% | 0.385 | 24% | 0.242 | S | C | . | . | trans | -64.1 | 161.2 | 175.6 | 66.3 | 0 | 0 | 0 | 0 | 112.3 | G176 E177 R178 | S174-G176 VanDerWaalsContact C-N 3.28Å; S174-G176 PolarHBondContact O-N 3.33Å; S174-E177 WeakPolarHBondContact CB-OE2 3.42Å; S174-E177 PolarHBondContact N-OE2 3.43Å; S174-E177 PolarHBondContact O-N 2.85Å; S174-E177 WeakPolarHBondContact OG-CB 3.5Å; S174-E177 WeakPolarHBondContact OG-CG 3.44Å; S174-E177 PolarHBondContact OG-N 3.33Å; S174-E177 PolarHBondContact OG-OE2 3.38Å; S174-R178 WeakPolarHBondContact O-CB 3.43Å; S174-R178 PolarHBondContact O-N 3.42Å | ||
| 175 | G | 91.6 | Very high | 91.3 | Very high | 35 Ų | 35 | 37.9 Ų | 37.9 | 36% | 0.361 | 23% | 0.229 | S | C | . | . | H | α-helix | trans | -57.5 | -38.7 | 178 | 0 | 0 | 0 | 0 | 0 | 113.3 | R178 K179 L203 | G175-R178 PolarHBondContact O-N 3.33Å; G175-K179 PolarHBondContact O-N 2.89Å; G175-L203 VanDerWaalsContact C-CD2 3.42Å |
| 176 | G | 93.1 | Very high | 91.2 | Very high | 1 Ų | 1 | 38 Ų | 38 | 1% | 0.01 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -70.8 | -38.3 | 177.4 | 0 | 0 | 0 | 0 | 0 | 113.6 | S174 K179 R180 | S174-G176 VanDerWaalsContact C-N 3.28Å; S174-G176 PolarHBondContact O-N 3.33Å; G176-K179 PolarHBondContact O-N 2.8Å; G176-R180 WeakPolarHBondContact O-CB 3.38Å; G176-R180 WeakPolarHBondContact O-CG 3.47Å; G176-R180 PolarHBondContact O-N 3.18Å |
| 177 | E | 95.3 | Very high | 91.4 | Very high | 33 Ų | 33 | 37.9 Ų | 37.9 | 15% | 0.154 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -65.4 | -41.4 | 173.4 | -71.7 | 162.8 | 154.3 | 0 | 0 | 111.3 | L157 V160 V173 S174 K179 R180 T181 | L157-E177 HydrophobicContact CD2-CB 4.06Å; L157-E177 HydrophobicContact CD2-CG 4.01Å; V160-E177 WeakPolarHBondContact CG1-OE1 3.48Å; V160-E177 HydrophobicContact CG2-CG 4.25Å; V173-E177 HydrophobicContact CB-CB 3.95Å; V173-E177 HydrophobicContact CG2-CB 4.19Å; S174-E177 WeakPolarHBondContact CB-OE2 3.42Å; S174-E177 PolarHBondContact N-OE2 3.43Å; S174-E177 PolarHBondContact O-N 2.85Å; S174-E177 WeakPolarHBondContact OG-CB 3.5Å; S174-E177 WeakPolarHBondContact OG-CG 3.44Å; S174-E177 PolarHBondContact OG-N 3.33Å; S174-E177 PolarHBondContact OG-OE2 3.38Å; E177-K179 PolarHBondContact O-N 2.89Å; E177-R180 PolarHBondContact O-N 3.21Å; E177-T181 PolarHBondContact O-N 2.92Å; E177-T181 PolarHBondContact O-OG1 2.67Å |
| 178 | R | 95.6 | Very high | 91.7 | Very high | 35 Ų | 35 | 36.2 Ų | 36.2 | 13% | 0.132 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -59.4 | -47.3 | 173.7 | -171.4 | -179.9 | -66.4 | -119.8 | -0.2 | 111.1 | N115 V117 E119 I165 G166 V173 S174 G175 R180 T181 C182 | N115-R178 HydrophobicContact CB-CG 4Å; V117-R178 HydrophobicContact CG2-CG 3.93Å; E119-R178 IonicContact OE1-CZ 3.36Å; E119-R178 IonicContact OE1-NH1 3.57Å; E119-R178 PolarHBondContact OE1-NH1 3.38Å; I165-R178 HydrophobicContact CG2-CG 4.24Å; I165-R178 PolarHBondContact O-NH2 3.13Å; G166-R178 PolarHBondContact O-NH2 2.91Å; V173-R178 HydrophobicContact CG2-CB 4.04Å; S174-R178 WeakPolarHBondContact O-CB 3.43Å; S174-R178 PolarHBondContact O-N 3.42Å; G175-R178 PolarHBondContact O-N 3.33Å; R178-R180 PolarHBondContact O-N 3.26Å; R178-T181 VanDerWaalsContact O-CB 3.3Å; R178-T181 WeakPolarHBondContact O-CB 3.22Å; R178-T181 PolarHBondContact O-N 3.44Å; R178-T181 VanDerWaalsContact O-N 3.13Å; R178-C182 PolarHBondContact O-N 3.39Å; R178-C182 PolarHBondContact O-SG 3.49Å |
| 179 | K | 96.2 | Very high | 92.1 | Very high | 6 Ų | 6 | 27.8 Ų | 27.8 | 3% | 0.026 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -64.1 | -41.8 | 178.6 | -166.1 | 67.6 | 168.7 | -173.5 | 0 | 112.3 | V112 Q113 N115 G175 G176 E177 T181 C182 I183 P199 V211 | V112-K179 PolarHBondContact O-NZ 2.75Å; Q113-K179 PolarHBondContact O-NZ 2.91Å; N115-K179 WeakPolarHBondContact OD1-CD 3.23Å; G175-K179 PolarHBondContact O-N 2.89Å; G176-K179 PolarHBondContact O-N 2.8Å; E177-K179 PolarHBondContact O-N 2.89Å; K179-T181 VanDerWaalsContact C-N 3.26Å; K179-T181 PolarHBondContact O-N 3.09Å; K179-C182 WeakPolarHBondContact O-CB 3.3Å; K179-C182 PolarHBondContact O-N 2.81Å; K179-I183 WeakPolarHBondContact O-CG1 3.4Å; K179-I183 PolarHBondContact O-N 3.34Å; K179-P199 VanDerWaalsContact CE-CA 3.45Å; K179-V211 HydrophobicContact CG-CG1 4.42Å |
| 180 | R | 96.3 | Very high | 92.7 | Very high | 29 Ų | 29 | 25.7 Ų | 25.7 | 11% | 0.109 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -61.8 | -34.8 | 173.2 | -73.7 | -175.5 | -70.9 | 164.7 | -4.9 | 111.9 | L155 G156 L157 G176 E177 R178 I183 G184 V211 T214 | L155-R180 WeakPolarHBondContact CD1-O 3.47Å; L155-R180 WeakPolarHBondContact O-CD 3.23Å; L155-R180 PolarHBondContact O-NH1 3.15Å; G156-R180 PolarHBondContact O-NH1 3.37Å; L157-R180 HydrophobicContact CD1-CB 3.92Å; L157-R180 HydrophobicContact CD2-CB 4.14Å; L157-R180 HydrophobicContact CG-CB 4.26Å; G176-R180 WeakPolarHBondContact O-CB 3.38Å; G176-R180 WeakPolarHBondContact O-CG 3.47Å; G176-R180 PolarHBondContact O-N 3.18Å; E177-R180 PolarHBondContact O-N 3.21Å; R178-R180 PolarHBondContact O-N 3.26Å; R180-I183 WeakPolarHBondContact O-CB 3.46Å; R180-I183 PolarHBondContact O-N 2.88Å; R180-G184 PolarHBondContact O-N 3.44Å; R180-V211 HydrophobicContact CG-CG2 4.33Å; R180-T214 HydrophobicContact CG-CG2 4.48Å |
| 181 | T | 97.3 | Very high | 93.1 | Very high | 0 Ų | 0 | 22.7 Ų | 22.7 | 0% | 0 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -63.9 | -43.9 | 172.9 | -54.5 | 0 | 0 | 0 | 0 | 111.8 | I123 N126 I165 E177 R178 K179 I183 G184 I185 | I123-T181 HydrophobicContact CB-CG2 4.33Å; I123-T181 HydrophobicContact CG1-CG2 4.31Å; I123-T181 WeakPolarHBondContact CG1-OG1 3.45Å; I123-T181 HydrophobicContact CG2-CG2 3.94Å; N126-T181 HydrophobicContact CB-CG2 4.43Å; I165-T181 HydrophobicContact CD1-CG2 3.99Å; E177-T181 PolarHBondContact O-N 2.92Å; E177-T181 PolarHBondContact O-OG1 2.67Å; R178-T181 VanDerWaalsContact O-CB 3.3Å; R178-T181 WeakPolarHBondContact O-CB 3.22Å; R178-T181 PolarHBondContact O-N 3.44Å; R178-T181 VanDerWaalsContact O-N 3.13Å; K179-T181 VanDerWaalsContact C-N 3.26Å; K179-T181 PolarHBondContact O-N 3.09Å; T181-I183 VanDerWaalsContact C-N 3.26Å; T181-I183 PolarHBondContact O-N 3.27Å; T181-G184 WeakPolarHBondContact O-CA 3.33Å; T181-G184 PolarHBondContact O-N 2.69Å; T181-G184 VanDerWaalsContact O-N 3.08Å; T181-I185 WeakPolarHBondContact O-CG1 3.11Å; T181-I185 PolarHBondContact O-N 3.14Å |
| 182 | C | 96.6 | Very high | 93.4 | Very high | 9 Ų | 9 | 17.6 Ų | 17.6 | 6% | 0.061 | 11% | 0.106 | C | C | . | . | H | α-helix | trans | -56.5 | -41.2 | 173 | -57.1 | 0 | 0 | 0 | 0 | 111.8 | V111 V117 R178 K179 | V111-C182 HydrophobicContact CG1-CB 4.01Å; V117-C182 HydrophobicContact CG1-CB 4.47Å; V117-C182 WeakPolarHBondContact CG1-SG 3.18Å; R178-C182 PolarHBondContact O-N 3.39Å; R178-C182 PolarHBondContact O-SG 3.49Å; K179-C182 WeakPolarHBondContact O-CB 3.3Å; K179-C182 PolarHBondContact O-N 2.81Å |
| 183 | I | 96.8 | Very high | 93.6 | Very high | 0 Ų | 0 | 16.9 Ų | 16.9 | 0% | 0 | 10% | 0.098 | C | C | . | . | H | α-helix | trans | -63.6 | -46.2 | 175.1 | -63.6 | 165.1 | 0 | 0 | 0 | 110.1 | V111 L155 K179 R180 T181 I185 E186 L187 L194 L196 V211 L215 L218 | V111-I183 HydrophobicContact CG1-CG1 4.49Å; V111-I183 HydrophobicContact CG2-CG1 4.07Å; L155-I183 HydrophobicContact CD2-CB 4.34Å; L155-I183 HydrophobicContact CD2-CG2 3.97Å; K179-I183 WeakPolarHBondContact O-CG1 3.4Å; K179-I183 PolarHBondContact O-N 3.34Å; R180-I183 WeakPolarHBondContact O-CB 3.46Å; R180-I183 PolarHBondContact O-N 2.88Å; T181-I183 VanDerWaalsContact C-N 3.26Å; T181-I183 PolarHBondContact O-N 3.27Å; I183-I185 VanDerWaalsContact C-N 3.32Å; I183-I185 PolarHBondContact O-N 3.48Å; I183-E186 PolarHBondContact O-N 3.31Å; I183-L187 HydrophobicContact CG2-CD1 3.74Å; I183-L187 HydrophobicContact CG2-CG 3.98Å; I183-L187 WeakPolarHBondContact O-CG 3.21Å; I183-L187 PolarHBondContact O-N 3.42Å; I183-L194 HydrophobicContact CG2-CD2 4.07Å; I183-L196 HydrophobicContact CD1-CD2 3.77Å; I183-L196 HydrophobicContact CG1-CD2 3.7Å; I183-V211 HydrophobicContact CD1-CG1 4.29Å; I183-L215 HydrophobicContact CD1-CD2 3.88Å; I183-L218 HydrophobicContact CG2-CD1 4.15Å |
| 184 | G | 96.5 | Very high | 93.8 | Very high | 0 Ų | 0 | 16.3 Ų | 16.3 | 0% | 0 | 9% | 0.094 | C | C | . | . | H | α-helix | trans | -58 | -39.8 | 178.6 | 0 | 0 | 0 | 0 | 0 | 114.3 | R180 T181 E186 L187 V188 | R180-G184 PolarHBondContact O-N 3.44Å; T181-G184 WeakPolarHBondContact O-CA 3.33Å; T181-G184 PolarHBondContact O-N 2.69Å; T181-G184 VanDerWaalsContact O-N 3.08Å; G184-E186 PolarHBondContact O-N 3.12Å; G184-L187 PolarHBondContact O-N 3.4Å; G184-L187 VanDerWaalsContact O-N 3.16Å; G184-V188 WeakPolarHBondContact O-CG2 3.5Å; G184-V188 PolarHBondContact O-N 3.35Å |
| 185 | I | 95.7 | Very high | 94 | Very high | 16 Ų | 16 | 13.7 Ų | 13.7 | 8% | 0.082 | 8% | 0.076 | C | C | . | . | H | α-helix | trans | -56.7 | -38.2 | 175.4 | -71.4 | 168.4 | 0 | 0 | 0 | 111.5 | V117 N126 I127 S130 R134 T181 I183 F601 | V117-I185 HydrophobicContact CG1-CD1 3.6Å; N126-I185 HydrophobicContact CB-CD1 4.11Å; N126-I185 HydrophobicContact CB-CG1 4.42Å; I127-I185 HydrophobicContact CG1-CG1 4.44Å; S130-I185 PolarHBondContact OG-O 3.49Å; R134-I185 PolarHBondContact NH1-O 2.87Å; T181-I185 WeakPolarHBondContact O-CG1 3.11Å; T181-I185 PolarHBondContact O-N 3.14Å; I183-I185 VanDerWaalsContact C-N 3.32Å; I183-I185 PolarHBondContact O-N 3.48Å; I185-F601 HydrophobicContact CG2-CZ 3.87Å |
| 186 | E | 94.3 | Very high | 94.3 | Very high | 1 Ų | 1 | 12 Ų | 12 | 1% | 0.005 | 6% | 0.059 | C | C | . | . | H | α-helix | trans | -82.6 | -29.5 | 178.2 | -64.3 | -57.2 | 147.7 | 0 | 0 | 113.3 | V111 R134 I183 G184 V188 L194 H595 | V111-E186 HydrophobicContact CG2-CB 4.47Å; V111-E186 HydrophobicContact CG2-CG 4.08Å; R134-E186 IonicContact CZ-OE2 3.07Å; R134-E186 VanDerWaalsContact NH1-CD 3.31Å; R134-E186 IonicContact NH1-OE1 3.66Å; R134-E186 PolarHBondContact NH1-OE1 2.92Å; R134-E186 IonicContact NH1-OE2 3.79Å; R134-E186 PolarHBondContact NH1-OE2 2.85Å; R134-E186 IonicContact NH2-OE2 3.68Å; R134-E186 PolarHBondContact NH2-OE2 3.01Å; I183-E186 PolarHBondContact O-N 3.31Å; G184-E186 PolarHBondContact O-N 3.12Å; E186-V188 VanDerWaalsContact C-N 3.33Å; E186-V188 PolarHBondContact O-N 3.16Å; E186-L194 HydrophobicContact CB-CD1 4.1Å; E186-H595 IonicContact OE1-CE1 2.76Å; E186-H595 IonicContact OE1-NE2 3.96Å; E186-H595 PolarHBondContact OE1-NE2 2.83Å |
| 187 | L | 93.7 | Very high | 94.4 | Very high | 0 Ų | 0 | 12 Ų | 12 | 0% | 0 | 6% | 0.059 | C | C | . | . | H | α-helix | trans | -70.4 | -23.3 | -178.6 | -76.4 | 179.8 | 0 | 0 | 0 | 114.5 | V151 L155 I183 G184 N189 D190 P191 L194 L218 | V151-L187 HydrophobicContact CG1-CB 4.12Å; L155-L187 HydrophobicContact CD1-CD1 4.48Å; L155-L187 HydrophobicContact CD2-CD1 3.9Å; L155-L187 HydrophobicContact CG-CD1 4.31Å; I183-L187 HydrophobicContact CG2-CD1 3.74Å; I183-L187 HydrophobicContact CG2-CG 3.98Å; I183-L187 WeakPolarHBondContact O-CG 3.21Å; I183-L187 PolarHBondContact O-N 3.42Å; G184-L187 PolarHBondContact O-N 3.4Å; G184-L187 VanDerWaalsContact O-N 3.16Å; L187-N189 PolarHBondContact O-N 3.16Å; L187-N189 VanDerWaalsContact O-N 3.13Å; L187-D190 PolarHBondContact O-N 2.97Å; L187-P191 HydrophobicContact CD2-CG 4.39Å; L187-L194 HydrophobicContact CD2-CD2 4.04Å; L187-L218 HydrophobicContact CD1-CD1 3.85Å; L187-L218 HydrophobicContact CD1-CD2 3.72Å; L187-L218 HydrophobicContact CD1-CG 4.49Å |
| 188 | V | 91 | Very high | 94.4 | Very high | 0 Ų | 0 | 11.6 Ų | 11.6 | 0% | 0 | 6% | 0.057 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -56.3 | -34.6 | -176.7 | -178.7 | 0 | 0 | 0 | 0 | 112.8 | I127 A131 L135 K147 G184 E186 D190 | I127-V188 HydrophobicContact CG2-CG2 3.42Å; I127-V188 VanDerWaalsContact CG2-CG2 3.42Å; A131-V188 HydrophobicContact CB-CG1 3.58Å; L135-V188 HydrophobicContact CD1-CG1 3.87Å; L135-V188 HydrophobicContact CD2-CG1 4.34Å; L135-V188 HydrophobicContact CG-CG1 4.08Å; K147-V188 WeakPolarHBondContact CE-O 3.24Å; K147-V188 HydrophobicContact CG-CG1 4.34Å; G184-V188 WeakPolarHBondContact O-CG2 3.5Å; G184-V188 PolarHBondContact O-N 3.35Å; E186-V188 VanDerWaalsContact C-N 3.33Å; E186-V188 PolarHBondContact O-N 3.16Å; V188-D190 VanDerWaalsContact C-N 3.25Å; V188-D190 PolarHBondContact O-N 3.27Å |
| 189 | N | 85.9 | Confident | 94.4 | Very high | 29 Ų | 29 | 10 Ų | 10 | 16% | 0.155 | 5% | 0.051 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -85.5 | 9.9 | -178.2 | -165.8 | 47.2 | 0 | 0 | 0 | 113.7 | R106 L187 | R106-N189 PolarHBondContact O-ND2 2.98Å; R106-N189 VanDerWaalsContact O-ND2 3.14Å; L187-N189 PolarHBondContact O-N 3.16Å; L187-N189 VanDerWaalsContact O-N 3.13Å |
| 190 | D | 88.4 | Confident | 94.4 | Very high | 65 Ų | 65 | 10.6 Ų | 10.6 | 35% | 0.348 | 6% | 0.055 | S | C | . | . | trans | 45.5 | 64.2 | -175.2 | -68.3 | -43.6 | 0 | 0 | 0 | 112.9 | K147 L187 V188 R223 | K147-D190 WeakPolarHBondContact CE-OD2 3.38Å; K147-D190 IonicContact NZ-OD1 3.47Å; K147-D190 PolarHBondContact NZ-OD1 3.06Å; K147-D190 IonicContact NZ-OD2 2.82Å; K147-D190 PolarHBondContact NZ-OD2 2.89Å; L187-D190 PolarHBondContact O-N 2.97Å; V188-D190 VanDerWaalsContact C-N 3.25Å; V188-D190 PolarHBondContact O-N 3.27Å; D190-R223 IonicContact OD1-NH2 3.79Å; D190-R223 PolarHBondContact OD1-NH2 2.84Å; D190-R223 VanDerWaalsContact OD1-NH2 3.07Å | ||
| 191 | P | 90.9 | Very high | 94.2 | Very high | 8 Ų | 8 | 12.3 Ų | 12.3 | 5% | 0.052 | 7% | 0.069 | C | C | . | . | trans | -63.4 | 143.5 | -172.6 | 26.9 | -34.8 | 0 | 0 | 0 | 112.4 | L107 L187 V193 L194 | L107-P191 CarbonylContact O-C 3.58Å; L107-P191 VanDerWaalsContact O-CA 3.25Å; L107-P191 WeakPolarHBondContact O-CA 3.34Å; L187-P191 HydrophobicContact CD2-CG 4.39Å; P191-V193 VanDerWaalsContact C-N 3.33Å; P191-V193 PolarHBondContact O-N 3.04Å; P191-L194 HydrophobicContact CG-CD1 4.46Å | ||
| 192 | L | 89.5 | Confident | 93.8 | Very high | 17 Ų | 17 | 16.3 Ų | 16.3 | 9% | 0.089 | 11% | 0.11 | C | C | . | . | S | Bend | trans | -63.3 | -41.1 | 176.1 | -65.2 | -179.4 | 0 | 0 | 0 | 111.8 | T23 L94 L107 Y479 | T23-L192 WeakPolarHBondContact CB-O 3.45Å; T23-L192 HydrophobicContact CG2-CB 4.23Å; L94-L192 HydrophobicContact CD1-CD1 4.16Å; L107-L192 HydrophobicContact CB-CD1 4.01Å; L107-L192 HydrophobicContact CB-CG 4.33Å; L107-L192 HydrophobicContact CD1-CD1 4.06Å; L107-L192 PolarHBondContact O-N 3.05Å; L192-Y479 HydrophobicContact CD1-CE2 4.34Å; L192-Y479 HydrophobicContact CD2-CD2 4.12Å; L192-Y479 HydrophobicContact CD2-CE2 4.41Å |
| 193 | V | 95 | Very high | 93.6 | Very high | 0 Ų | 0 | 17.5 Ų | 17.5 | 0% | 0 | 12% | 0.116 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.4 | 132 | 174.4 | -175.1 | 0 | 0 | 0 | 0 | 108 | T23 L94 C108 G109 P191 Y195 T224 V226 | T23-V193 HydrophobicContact CG2-CG2 4.07Å; L94-V193 HydrophobicContact CD2-CG2 3.89Å; C108-V193 CarbonylContact C-O 3.51Å; C108-V193 VanDerWaalsContact CA-O 3.31Å; C108-V193 WeakPolarHBondContact CA-O 3.41Å; C108-V193 WeakPolarHBondContact CB-O 3.29Å; G109-V193 PolarHBondContact N-O 3.46Å; P191-V193 VanDerWaalsContact C-N 3.33Å; P191-V193 PolarHBondContact O-N 3.04Å; V193-Y195 HydrophobicContact CB-CE2 3.91Å; V193-Y195 HydrophobicContact CG1-CD1 4.31Å; V193-Y195 HydrophobicContact CG1-CD2 4.23Å; V193-Y195 HydrophobicContact CG1-CE1 3.79Å; V193-Y195 HydrophobicContact CG1-CE2 3.72Å; V193-Y195 VanDerWaalsContact CG1-CZ 3.46Å; V193-T224 WeakPolarHBondContact CA-O 3.43Å; V193-T224 HydrophobicContact CG1-CG2 4.14Å; V193-T224 HydrophobicContact CG2-CG2 4.28Å; V193-V226 HydrophobicContact CG1-CG2 3.84Å |
| 194 | L | 96.3 | Very high | 93.3 | Very high | 3 Ų | 3 | 21.7 Ų | 21.7 | 2% | 0.016 | 14% | 0.138 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.4 | 112 | 173.6 | -179 | 66.9 | 0 | 0 | 0 | 109.4 | V111 I183 E186 L187 P191 L196 T224 I225 V226 | V111-L194 HydrophobicContact CG2-CD1 4.28Å; I183-L194 HydrophobicContact CG2-CD2 4.07Å; E186-L194 HydrophobicContact CB-CD1 4.1Å; L187-L194 HydrophobicContact CD2-CD2 4.04Å; P191-L194 HydrophobicContact CG-CD1 4.46Å; L194-L196 HydrophobicContact CD2-CD1 4.06Å; L194-L196 HydrophobicContact CG-CD1 3.89Å; L194-L196 HydrophobicContact CG-CG 4.43Å; L194-T224 PolarHBondContact N-O 2.82Å; L194-I225 WeakPolarHBondContact O-CA 3.16Å; L194-V226 PolarHBondContact O-N 2.98Å |
| 195 | Y | 97.5 | Very high | 92.9 | Very high | 0 Ų | 0 | 24.6 Ų | 24.6 | 0% | 0 | 16% | 0.158 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.6 | 136.2 | 174.7 | -61.1 | -79.4 | 0 | 0 | 0 | 110.5 | L25 L76 L79 A80 C108 G109 Y110 V111 V193 V226 | L25-Y195 WeakPolarHBondContact CD1-OH 3.38Å; L25-Y195 HydrophobicContact CD2-CE1 4.03Å; L25-Y195 WeakPolarHBondContact CD2-OH 3.37Å; L76-Y195 HydrophobicContact CD2-CD1 3.92Å; L79-Y195 HydrophobicContact CB-CD1 4.49Å; L79-Y195 HydrophobicContact CB-CE1 3.68Å; L79-Y195 PolarHBondContact O-OH 3.27Å; L79-Y195 VanDerWaalsContact O-OH 3.07Å; A80-Y195 HydrophobicContact CB-CD2 3.7Å; A80-Y195 HydrophobicContact CB-CE2 3.92Å; A80-Y195 HydrophobicContact CB-CG 4.1Å; C108-Y195 HydrophobicContact CB-CD2 4.05Å; C108-Y195 HydrophobicContact CB-CE2 3.7Å; G109-Y195 WeakPolarHBondContact O-CD2 3.21Å; G109-Y195 PolarHBondContact O-N 3.1Å; Y110-Y195 CarbonylContact C-O 3.29Å; Y110-Y195 WeakPolarHBondContact CA-O 3.14Å; Y110-Y195 HydrophobicContact CD2-CG 4.23Å; V111-Y195 PolarHBondContact N-O 2.86Å; V193-Y195 HydrophobicContact CB-CE2 3.91Å; V193-Y195 HydrophobicContact CG1-CD1 4.31Å; V193-Y195 HydrophobicContact CG1-CD2 4.23Å; V193-Y195 HydrophobicContact CG1-CE1 3.79Å; V193-Y195 HydrophobicContact CG1-CE2 3.72Å; V193-Y195 VanDerWaalsContact CG1-CZ 3.46Å; Y195-V226 CarbonylContact C-O 3.48Å; Y195-V226 WeakPolarHBondContact CA-O 3.27Å; Y195-V226 HydrophobicContact CD1-CB 3.75Å; Y195-V226 HydrophobicContact CD1-CG1 4.1Å; Y195-V226 HydrophobicContact CD1-CG2 4.35Å; Y195-V226 HydrophobicContact CE1-CB 3.96Å; Y195-V226 HydrophobicContact CE1-CG1 4.26Å; Y195-V226 HydrophobicContact CE1-CG2 4.09Å |
| 196 | L | 97.6 | Very high | 92.7 | Very high | 0 Ų | 0 | 32.3 Ų | 32.3 | 0% | 0 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.6 | 123.4 | 171.8 | -52.2 | 94.5 | 0 | 0 | 0 | 111.1 | L76 V111 I183 L194 P199 L215 I225 V226 F227 S228 | L76-L196 WeakPolarHBondContact CD1-O 3.44Å; V111-L196 HydrophobicContact CB-CB 4.34Å; V111-L196 HydrophobicContact CB-CD2 4.16Å; V111-L196 HydrophobicContact CB-CG 4.06Å; V111-L196 HydrophobicContact CG2-CD2 4.18Å; V111-L196 HydrophobicContact CG2-CG 4.22Å; V111-L196 WeakPolarHBondContact O-CA 3.38Å; I183-L196 HydrophobicContact CD1-CD2 3.77Å; I183-L196 HydrophobicContact CG1-CD2 3.7Å; L194-L196 HydrophobicContact CD2-CD1 4.06Å; L194-L196 HydrophobicContact CG-CD1 3.89Å; L194-L196 HydrophobicContact CG-CG 4.43Å; L196-P199 HydrophobicContact CB-CB 4.17Å; L196-P199 HydrophobicContact CB-CG 4.17Å; L196-P199 HydrophobicContact CD2-CB 4Å; L196-L215 HydrophobicContact CD1-CD1 4.26Å; L196-L215 HydrophobicContact CD1-CD2 4.1Å; L196-L215 HydrophobicContact CD2-CD1 4.08Å; L196-L215 HydrophobicContact CD2-CD2 3.78Å; L196-I225 HydrophobicContact CD1-CG2 3.42Å; L196-I225 VanDerWaalsContact CD1-CG2 3.42Å; L196-V226 PolarHBondContact N-O 3.3Å; L196-F227 HydrophobicContact CB-CB 3.82Å; L196-F227 HydrophobicContact CD1-CB 4.11Å; L196-F227 CarbonylContact O-C 3.55Å; L196-F227 WeakPolarHBondContact O-CA 3.47Å; L196-F227 WeakPolarHBondContact O-CB 3.16Å; L196-S228 PolarHBondContact O-N 3.34Å |
| 197 | D | 96 | Very high | 92.7 | Very high | 1 Ų | 1 | 33.5 Ų | 33.5 | 1% | 0.005 | 20% | 0.195 | C | C | . | . | S | Bend | trans | -88.7 | 114.7 | 172.1 | -159.2 | 15.7 | 0 | 0 | 0 | 109 | S73 L76 V111 Q113 S228 | S73-D197 WeakPolarHBondContact CB-OD1 3.31Å; S73-D197 VanDerWaalsContact CB-OD2 3.31Å; S73-D197 WeakPolarHBondContact CB-OD2 3.4Å; S73-D197 PolarHBondContact OG-OD1 3.14Å; S73-D197 PolarHBondContact OG-OD2 2.91Å; L76-D197 HydrophobicContact CD1-CB 4.1Å; V111-D197 PolarHBondContact O-N 3.3Å; Q113-D197 VanDerWaalsContact CA-O 3.27Å; Q113-D197 WeakPolarHBondContact CA-O 3.18Å; Q113-D197 HydrophobicContact CB-CB 4.37Å; D197-S228 WeakPolarHBondContact CA-OG 3.32Å; D197-S228 PolarHBondContact OD1-OG 3.04Å |
| 198 | E | 95.4 | Very high | 92.8 | Very high | 24 Ų | 24 | 33.8 Ų | 33.8 | 11% | 0.112 | 20% | 0.198 | C | C | . | . | trans | 38.9 | 69.8 | 178.9 | -52.4 | -171.6 | 167.7 | 0 | 0 | 114.3 | Q113 T200 T201 S228 | Q113-E198 HydrophobicContact CG-CB 4.26Å; Q113-E198 PolarHBondContact NE2-OE2 2.81Å; E198-T200 PolarHBondContact O-N 2.69Å; E198-T200 VanDerWaalsContact O-N 3.11Å; E198-T201 WeakPolarHBondContact CB-OG1 3.49Å; E198-T201 PolarHBondContact O-N 2.88Å; E198-T201 PolarHBondContact OE2-OG1 3.08Å; E198-S228 VanDerWaalsContact CA-O 3.3Å; E198-S228 WeakPolarHBondContact CA-O 3.42Å; E198-S228 WeakPolarHBondContact CG-OG 3.37Å; E198-S228 PolarHBondContact N-O 2.87Å; E198-S228 PolarHBondContact N-OG 3.07Å | ||
| 199 | P | 96.2 | Very high | 92.9 | Very high | 1 Ų | 1 | 34.4 Ų | 34.4 | 1% | 0.006 | 20% | 0.204 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -68.6 | -14.8 | -171.3 | 27.2 | -32.4 | 0 | 0 | 0 | 114.2 | K179 L196 I212 L215 F227 S228 | K179-P199 VanDerWaalsContact CE-CA 3.45Å; L196-P199 HydrophobicContact CB-CB 4.17Å; L196-P199 HydrophobicContact CB-CG 4.17Å; L196-P199 HydrophobicContact CD2-CB 4Å; P199-I212 HydrophobicContact CG-CD1 4.26Å; P199-L215 HydrophobicContact CG-CD1 4.24Å; P199-F227 HydrophobicContact CG-CB 4.3Å; P199-F227 HydrophobicContact CG-CD2 4.26Å; P199-S228 WeakPolarHBondContact CD-O 3.22Å |
| 200 | T | 95.1 | Very high | 93.3 | Very high | 19 Ų | 19 | 34.8 Ų | 34.8 | 12% | 0.117 | 21% | 0.207 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -100.5 | -0.9 | -177.4 | 55.1 | 0 | 0 | 0 | 0 | 113.8 | E198 G202 L203 A208 I212 I229 | E198-T200 PolarHBondContact O-N 2.69Å; E198-T200 VanDerWaalsContact O-N 3.11Å; T200-G202 PolarHBondContact O-N 3.49Å; T200-L203 PolarHBondContact O-N 3.27Å; T200-A208 HydrophobicContact CG2-CB 3.82Å; T200-I212 HydrophobicContact CG2-CD1 3.79Å; T200-I212 HydrophobicContact CG2-CG1 3.79Å; T200-I229 HydrophobicContact CG2-CD1 3.99Å |
| 201 | T | 92.1 | Very high | 93.7 | Very high | 66 Ų | 66 | 31.7 Ų | 31.7 | 41% | 0.405 | 19% | 0.191 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -67.8 | 133 | -177 | -63.3 | 0 | 0 | 0 | 0 | 111.4 | E198 L203 | E198-T201 WeakPolarHBondContact CB-OG1 3.49Å; E198-T201 PolarHBondContact O-N 2.88Å; E198-T201 PolarHBondContact OE2-OG1 3.08Å; T201-L203 VanDerWaalsContact C-N 3.26Å; T201-L203 PolarHBondContact O-N 2.8Å |
| 202 | G | 88.5 | Confident | 94 | Very high | 84 Ų | 84 | 31.3 Ų | 31.3 | 87% | 0.866 | 19% | 0.188 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 74.2 | 10.8 | -178.7 | 0 | 0 | 0 | 0 | 0 | 114.8 | T200 | T200-G202 PolarHBondContact O-N 3.49Š|
| 203 | L | 92.5 | Very high | 94.3 | Very high | 33 Ų | 33 | 36 Ų | 36 | 17% | 0.173 | 21% | 0.21 | C | C | . | . | trans | -104.7 | 145.8 | 175.1 | -57.4 | -178.5 | 0 | 0 | 0 | 110.5 | G175 T200 T201 T207 A208 V211 | G175-L203 VanDerWaalsContact C-CD2 3.42Å; T200-L203 PolarHBondContact O-N 3.27Å; T201-L203 VanDerWaalsContact C-N 3.26Å; T201-L203 PolarHBondContact O-N 2.8Å; L203-T207 HydrophobicContact CD1-CG2 4.31Å; L203-T207 HydrophobicContact CD2-CG2 4.21Å; L203-A208 HydrophobicContact CB-CB 4.21Å; L203-V211 HydrophobicContact CD1-CG2 3.87Å | ||
| 204 | D | 91.1 | Very high | 94.3 | Very high | 88 Ų | 88 | 36.1 Ų | 36.1 | 47% | 0.471 | 21% | 0.21 | S | C | . | . | trans | -66.3 | 161.5 | 165.9 | 71.3 | -79.6 | 0 | 0 | 0 | 110.3 | Y206 T207 A208 | D204-Y206 VanDerWaalsContact C-N 3.3Å; D204-Y206 PolarHBondContact O-N 3.13Å; D204-Y206 WeakPolarHBondContact OD2-CB 3.48Å; D204-Y206 PolarHBondContact OD2-N 2.88Å; D204-T207 PolarHBondContact O-N 3.06Å; D204-T207 WeakPolarHBondContact OD1-CB 3.02Å; D204-T207 PolarHBondContact OD1-OG1 3.02Å; D204-T207 PolarHBondContact OD2-N 3.17Å; D204-T207 PolarHBondContact OD2-OG1 2.81Å; D204-A208 WeakPolarHBondContact O-CB 3.1Å; D204-A208 PolarHBondContact O-N 2.86Å | ||
| 205 | S | 88.7 | Confident | 94.3 | Very high | 61 Ų | 61 | 36 Ų | 36 | 43% | 0.427 | 21% | 0.21 | S | C | . | . | H | α-helix | trans | -64.9 | -29.4 | -170.5 | 68.1 | 0 | 0 | 0 | 0 | 115.3 | G209 K233 | S205-G209 PolarHBondContact O-N 2.98Å; S205-G209 VanDerWaalsContact O-N 3.17Å; S205-K233 PolarHBondContact OG-NZ 3.34Å |
| 206 | Y | 92 | Very high | 94.3 | Very high | 178 Ų | 178 | 39 Ų | 39 | 70% | 0.698 | 22% | 0.221 | S | C | * | . | H | α-helix | trans | -74.5 | -46.6 | 178.1 | 174.1 | -96 | 0 | 0 | 0 | 110.2 | D204 A208 G209 T210 | D204-Y206 VanDerWaalsContact C-N 3.3Å; D204-Y206 PolarHBondContact O-N 3.13Å; D204-Y206 WeakPolarHBondContact OD2-CB 3.48Å; D204-Y206 PolarHBondContact OD2-N 2.88Å; Y206-A208 PolarHBondContact O-N 3.39Å; Y206-G209 PolarHBondContact O-N 2.87Å; Y206-T210 PolarHBondContact O-N 3.09Å; Y206-T210 PolarHBondContact O-OG1 2.99Å |
| 207 | T | 93.5 | Very high | 94.1 | Very high | 27 Ų | 27 | 44.9 Ų | 44.9 | 17% | 0.166 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -63.2 | -41.3 | 176.8 | -58 | 0 | 0 | 0 | 0 | 111.8 | L203 D204 G209 T210 V211 | L203-T207 HydrophobicContact CD1-CG2 4.31Å; L203-T207 HydrophobicContact CD2-CG2 4.21Å; D204-T207 PolarHBondContact O-N 3.06Å; D204-T207 WeakPolarHBondContact OD1-CB 3.02Å; D204-T207 PolarHBondContact OD1-OG1 3.02Å; D204-T207 PolarHBondContact OD2-N 3.17Å; D204-T207 PolarHBondContact OD2-OG1 2.81Å; T207-G209 VanDerWaalsContact C-N 3.33Å; T207-G209 PolarHBondContact O-N 2.7Å; T207-T210 WeakPolarHBondContact O-CB 3.3Å; T207-T210 PolarHBondContact O-N 3.28Å; T207-V211 WeakPolarHBondContact O-CG2 3.36Å; T207-V211 PolarHBondContact O-N 3.29Å |
| 208 | A | 95.4 | Very high | 94.1 | Very high | 6 Ų | 6 | 44.8 Ų | 44.8 | 5% | 0.05 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -57.3 | -45.4 | 173 | 0 | 0 | 0 | 0 | 0 | 111.6 | T200 L203 D204 Y206 T210 V211 I212 I236 | T200-A208 HydrophobicContact CG2-CB 3.82Å; L203-A208 HydrophobicContact CB-CB 4.21Å; D204-A208 WeakPolarHBondContact O-CB 3.1Å; D204-A208 PolarHBondContact O-N 2.86Å; Y206-A208 PolarHBondContact O-N 3.39Å; A208-T210 VanDerWaalsContact C-N 3.32Å; A208-T210 PolarHBondContact O-N 3.33Å; A208-V211 PolarHBondContact O-N 2.92Å; A208-I212 WeakPolarHBondContact O-CG1 3.34Å; A208-I212 PolarHBondContact O-N 2.95Å; A208-I236 HydrophobicContact CB-CD1 4.37Å |
| 209 | G | 94.4 | Very high | 94 | Very high | 13 Ų | 13 | 44 Ų | 44 | 13% | 0.134 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -57.9 | -43 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112.7 | S205 Y206 T207 V211 I212 Q213 | S205-G209 PolarHBondContact O-N 2.98Å; S205-G209 VanDerWaalsContact O-N 3.17Å; Y206-G209 PolarHBondContact O-N 2.87Å; T207-G209 VanDerWaalsContact C-N 3.33Å; T207-G209 PolarHBondContact O-N 2.7Å; G209-V211 PolarHBondContact O-N 3.47Å; G209-I212 PolarHBondContact O-N 3.36Å; G209-Q213 WeakPolarHBondContact O-CB 3.32Å; G209-Q213 VanDerWaalsContact O-CG 3.29Å; G209-Q213 WeakPolarHBondContact O-CG 3.38Å; G209-Q213 PolarHBondContact O-N 3.03Å |
| 210 | T | 93.8 | Very high | 93.9 | Very high | 36 Ų | 36 | 47.8 Ų | 47.8 | 22% | 0.221 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -64.7 | -39.7 | 178.3 | -54.7 | 0 | 0 | 0 | 0 | 112.5 | Y206 T207 A208 Q213 T214 | Y206-T210 PolarHBondContact O-N 3.09Å; Y206-T210 PolarHBondContact O-OG1 2.99Å; T207-T210 WeakPolarHBondContact O-CB 3.3Å; T207-T210 PolarHBondContact O-N 3.28Å; A208-T210 VanDerWaalsContact C-N 3.32Å; A208-T210 PolarHBondContact O-N 3.33Å; T210-Q213 PolarHBondContact O-N 3Å; T210-T214 PolarHBondContact O-N 2.8Å; T210-T214 PolarHBondContact O-OG1 3.39Å |
| 211 | V | 96.2 | Very high | 93.7 | Very high | 0 Ų | 0 | 48.3 Ų | 48.3 | 0% | 0 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -63.6 | -46.7 | 174.6 | 173.7 | 0 | 0 | 0 | 0 | 110.5 | K179 R180 I183 L203 T207 A208 G209 T214 L215 | K179-V211 HydrophobicContact CG-CG1 4.42Å; R180-V211 HydrophobicContact CG-CG2 4.33Å; I183-V211 HydrophobicContact CD1-CG1 4.29Å; L203-V211 HydrophobicContact CD1-CG2 3.87Å; T207-V211 WeakPolarHBondContact O-CG2 3.36Å; T207-V211 PolarHBondContact O-N 3.29Å; A208-V211 PolarHBondContact O-N 2.92Å; G209-V211 PolarHBondContact O-N 3.47Å; V211-T214 WeakPolarHBondContact O-CA 3.35Å; V211-T214 VanDerWaalsContact O-CB 3.31Å; V211-T214 WeakPolarHBondContact O-CB 3.4Å; V211-T214 PolarHBondContact O-N 2.86Å; V211-T214 VanDerWaalsContact O-N 3.13Å; V211-L215 PolarHBondContact O-N 2.91Å |
| 212 | I | 96.8 | Very high | 93.5 | Very high | 0 Ų | 0 | 46 Ų | 46 | 0% | 0 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -65.4 | -40.1 | 178 | -63 | -56.7 | 0 | 0 | 0 | 111.8 | M61 P199 T200 A208 G209 T214 L215 R216 F227 I229 I236 L239 | M61-I212 HydrophobicContact CE-CG2 3.85Å; P199-I212 HydrophobicContact CG-CD1 4.26Å; T200-I212 HydrophobicContact CG2-CD1 3.79Å; T200-I212 HydrophobicContact CG2-CG1 3.79Å; A208-I212 WeakPolarHBondContact O-CG1 3.34Å; A208-I212 PolarHBondContact O-N 2.95Å; G209-I212 PolarHBondContact O-N 3.36Å; I212-T214 PolarHBondContact O-N 2.81Å; I212-L215 HydrophobicContact CD1-CD1 3.93Å; I212-L215 CarbonylContact O-C 3.52Å; I212-L215 WeakPolarHBondContact O-CA 3.47Å; I212-L215 WeakPolarHBondContact O-CB 3.49Å; I212-L215 PolarHBondContact O-N 3.09Å; I212-R216 PolarHBondContact O-N 3Å; I212-F227 HydrophobicContact CD1-CE2 4.47Å; I212-I229 HydrophobicContact CD1-CD1 4.32Å; I212-I236 HydrophobicContact CB-CG1 4.3Å; I212-I236 HydrophobicContact CB-CG2 4.49Å; I212-I236 HydrophobicContact CG1-CD1 4.11Å; I212-I236 HydrophobicContact CG1-CG1 4.12Å; I212-I236 HydrophobicContact CG1-CG2 3.96Å; I212-I236 HydrophobicContact CG2-CG1 4.48Å; I212-I236 HydrophobicContact CG2-CG2 4.11Å; I212-L239 HydrophobicContact CG2-CD1 3.74Å |
| 213 | Q | 95.6 | Very high | 93.7 | Very high | 117 Ų | 117 | 42.5 Ų | 42.5 | 55% | 0.547 | 22% | 0.215 | S | C | . | . | H | α-helix | trans | -59.9 | -34.5 | 173.6 | -75.6 | 173.6 | 12.2 | 0 | 0 | 111.8 | G209 T210 R216 R217 | G209-Q213 WeakPolarHBondContact O-CB 3.32Å; G209-Q213 VanDerWaalsContact O-CG 3.29Å; G209-Q213 WeakPolarHBondContact O-CG 3.38Å; G209-Q213 PolarHBondContact O-N 3.03Å; T210-Q213 PolarHBondContact O-N 3Å; Q213-R216 PolarHBondContact O-N 3.2Å; Q213-R217 WeakPolarHBondContact O-CG 3.33Å; Q213-R217 PolarHBondContact O-N 2.99Å |
| 214 | T | 95.8 | Very high | 93.9 | Very high | 1 Ų | 1 | 41 Ų | 41 | 1% | 0.006 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -65.7 | -44.4 | 172.4 | -57.2 | 0 | 0 | 0 | 0 | 110.9 | L155 R180 T210 V211 I212 R216 R217 L218 | L155-T214 HydrophobicContact CD2-CG2 3.75Å; R180-T214 HydrophobicContact CG-CG2 4.48Å; T210-T214 PolarHBondContact O-N 2.8Å; T210-T214 PolarHBondContact O-OG1 3.39Å; V211-T214 WeakPolarHBondContact O-CA 3.35Å; V211-T214 VanDerWaalsContact O-CB 3.31Å; V211-T214 WeakPolarHBondContact O-CB 3.4Å; V211-T214 PolarHBondContact O-N 2.86Å; V211-T214 VanDerWaalsContact O-N 3.13Å; I212-T214 PolarHBondContact O-N 2.81Å; T214-R216 VanDerWaalsContact C-N 3.3Å; T214-R216 PolarHBondContact O-N 2.83Å; T214-R217 PolarHBondContact O-N 3.24Å; T214-R217 PolarHBondContact OG1-NH2 2.87Å; T214-L218 HydrophobicContact CG2-CD1 4.33Å; T214-L218 VanDerWaalsContact O-CG 3.25Å; T214-L218 WeakPolarHBondContact O-CG 3.46Å; T214-L218 PolarHBondContact O-N 3.44Å |
| 215 | L | 97 | Very high | 94.2 | Very high | 0 Ų | 0 | 36.8 Ų | 36.8 | 0% | 0 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -60.1 | -38.7 | 172.5 | -62.4 | -178.1 | 0 | 0 | 0 | 112.5 | I183 L196 P199 V211 I212 L218 A219 I225 | I183-L215 HydrophobicContact CD1-CD2 3.88Å; L196-L215 HydrophobicContact CD1-CD1 4.26Å; L196-L215 HydrophobicContact CD1-CD2 4.1Å; L196-L215 HydrophobicContact CD2-CD1 4.08Å; L196-L215 HydrophobicContact CD2-CD2 3.78Å; P199-L215 HydrophobicContact CG-CD1 4.24Å; V211-L215 PolarHBondContact O-N 2.91Å; I212-L215 HydrophobicContact CD1-CD1 3.93Å; I212-L215 CarbonylContact O-C 3.52Å; I212-L215 WeakPolarHBondContact O-CA 3.47Å; I212-L215 WeakPolarHBondContact O-CB 3.49Å; I212-L215 PolarHBondContact O-N 3.09Å; L215-L218 HydrophobicContact CD2-CD1 4.2Å; L215-L218 WeakPolarHBondContact O-CB 3.17Å; L215-L218 PolarHBondContact O-N 3.06Å; L215-A219 WeakPolarHBondContact O-CB 3.4Å; L215-A219 PolarHBondContact O-N 3.18Å; L215-I225 HydrophobicContact CB-CD1 4.28Å; L215-I225 HydrophobicContact CD2-CD1 4.4Å; L215-I225 HydrophobicContact CD2-CG2 4.49Å; L215-I225 WeakPolarHBondContact O-CD1 3.15Å |
| 216 | R | 96.3 | Very high | 94.6 | Very high | 65 Ų | 65 | 33.9 Ų | 33.9 | 25% | 0.245 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -60.4 | -50 | 176.9 | 179.5 | 65.1 | -156.3 | -163.6 | 10.9 | 111.4 | M61 I212 Q213 T214 L218 A219 D220 L239 D241 | M61-R216 VanDerWaalsContact SD-CA 3.54Å; M61-R216 HydrophobicContact SD-CB 3.74Å; M61-R216 HydrophobicContact SD-CG 4.36Å; I212-R216 PolarHBondContact O-N 3Å; Q213-R216 PolarHBondContact O-N 3.2Å; T214-R216 VanDerWaalsContact C-N 3.3Å; T214-R216 PolarHBondContact O-N 2.83Å; R216-L218 VanDerWaalsContact C-N 3.25Å; R216-L218 PolarHBondContact O-N 3.25Å; R216-A219 WeakPolarHBondContact O-CB 3.37Å; R216-A219 PolarHBondContact O-N 2.97Å; R216-D220 IonicContact CZ-OD1 3.48Å; R216-D220 IonicContact NE-OD1 2.78Å; R216-D220 PolarHBondContact NE-OD1 3.41Å; R216-D220 IonicContact NE-OD2 2.93Å; R216-D220 PolarHBondContact NE-OD2 3.33Å; R216-D220 IonicContact NH2-OD1 3.35Å; R216-D220 PolarHBondContact NH2-OD1 3.29Å; R216-D220 VanDerWaalsContact O-CG 3.27Å; R216-D220 PolarHBondContact O-N 2.98Å; R216-L239 PolarHBondContact NH1-O 3.23Å; R216-D241 IonicContact CZ-OD1 3.24Å; R216-D241 IonicContact NH1-OD1 2.71Å; R216-D241 PolarHBondContact NH1-OD1 3.45Å; R216-D241 IonicContact NH1-OD2 3.17Å; R216-D241 IonicContact NH2-OD1 2.9Å |
| 217 | R | 94.8 | Very high | 94.9 | Very high | 122 Ų | 122 | 25.4 Ų | 25.4 | 46% | 0.46 | 13% | 0.131 | S | C | . | . | H | α-helix | trans | -57.9 | -38.8 | 175.9 | -70.2 | -174.6 | -66.5 | 144.1 | 2.1 | 112.4 | Q213 T214 S221 | Q213-R217 WeakPolarHBondContact O-CG 3.33Å; Q213-R217 PolarHBondContact O-N 2.99Å; T214-R217 PolarHBondContact O-N 3.24Å; T214-R217 PolarHBondContact OG1-NH2 2.87Å; R217-S221 PolarHBondContact O-N 3.49Å |
| 218 | L | 94.3 | Very high | 95.1 | Very high | 0 Ų | 0 | 24.1 Ų | 24.1 | 0% | 0 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -67.6 | -36.4 | 175.4 | -66.9 | 168.8 | 0 | 0 | 0 | 112.4 | E154 L155 I183 L187 T214 L215 R216 S221 R223 I225 | E154-L218 HydrophobicContact CG-CD2 3.64Å; E154-L218 VanDerWaalsContact OE1-CD2 3.32Å; E154-L218 WeakPolarHBondContact OE1-CD2 3.46Å; L155-L218 HydrophobicContact CD2-CD1 4.21Å; I183-L218 HydrophobicContact CG2-CD1 4.15Å; L187-L218 HydrophobicContact CD1-CD1 3.85Å; L187-L218 HydrophobicContact CD1-CD2 3.72Å; L187-L218 HydrophobicContact CD1-CG 4.49Å; T214-L218 HydrophobicContact CG2-CD1 4.33Å; T214-L218 VanDerWaalsContact O-CG 3.25Å; T214-L218 WeakPolarHBondContact O-CG 3.46Å; T214-L218 PolarHBondContact O-N 3.44Å; L215-L218 HydrophobicContact CD2-CD1 4.2Å; L215-L218 WeakPolarHBondContact O-CB 3.17Å; L215-L218 PolarHBondContact O-N 3.06Å; R216-L218 VanDerWaalsContact C-N 3.25Å; R216-L218 PolarHBondContact O-N 3.25Å; L218-S221 PolarHBondContact O-OG 3.24Å; L218-R223 WeakPolarHBondContact O-CB 3.34Å; L218-I225 HydrophobicContact CB-CD1 3.72Å |
| 219 | A | 95 | Very high | 95.1 | Very high | 6 Ų | 6 | 23.8 Ų | 23.8 | 5% | 0.05 | 12% | 0.12 | C | C | . | . | H | α-helix | trans | -70.5 | -40 | 176.5 | 0 | 0 | 0 | 0 | 0 | 111.5 | M61 L215 R216 S221 G222 R223 I225 | M61-A219 HydrophobicContact CG-CB 3.7Å; L215-A219 WeakPolarHBondContact O-CB 3.4Å; L215-A219 PolarHBondContact O-N 3.18Å; R216-A219 WeakPolarHBondContact O-CB 3.37Å; R216-A219 PolarHBondContact O-N 2.97Å; A219-S221 PolarHBondContact O-N 3.11Å; A219-G222 WeakPolarHBondContact O-CA 3.49Å; A219-G222 PolarHBondContact O-N 3.02Å; A219-R223 PolarHBondContact O-N 3.49Å; A219-I225 HydrophobicContact CB-CD1 3.98Å; A219-I225 HydrophobicContact CB-CG1 4.35Å |
| 220 | D | 94.1 | Very high | 94.8 | Very high | 81 Ų | 81 | 26 Ų | 26 | 43% | 0.433 | 13% | 0.127 | S | C | . | . | H | α-helix | trans | -62 | -23.5 | 177.7 | -67.7 | -32.2 | 0 | 0 | 0 | 112.7 | R216 G222 | R216-D220 IonicContact CZ-OD1 3.48Å; R216-D220 IonicContact NE-OD1 2.78Å; R216-D220 PolarHBondContact NE-OD1 3.41Å; R216-D220 IonicContact NE-OD2 2.93Å; R216-D220 PolarHBondContact NE-OD2 3.33Å; R216-D220 IonicContact NH2-OD1 3.35Å; R216-D220 PolarHBondContact NH2-OD1 3.29Å; R216-D220 VanDerWaalsContact O-CG 3.27Å; R216-D220 PolarHBondContact O-N 2.98Å; D220-G222 PolarHBondContact O-N 3.14Å |
| 221 | S | 89.5 | Confident | 94.6 | Very high | 30 Ų | 30 | 29.3 Ų | 29.3 | 21% | 0.21 | 14% | 0.14 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -76.7 | 5.5 | 171.8 | 73.3 | 0 | 0 | 0 | 0 | 114.2 | T20 R217 L218 A219 | T20-S221 PolarHBondContact OG1-O 3.2Å; R217-S221 PolarHBondContact O-N 3.49Å; L218-S221 PolarHBondContact O-OG 3.24Å; A219-S221 PolarHBondContact O-N 3.11Å |
| 222 | G | 88.8 | Confident | 94.5 | Very high | 17 Ų | 17 | 29.5 Ų | 29.5 | 18% | 0.175 | 14% | 0.141 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 93.4 | 14 | 176.2 | 0 | 0 | 0 | 0 | 0 | 114.3 | A219 D220 | A219-G222 WeakPolarHBondContact O-CA 3.49Å; A219-G222 PolarHBondContact O-N 3.02Å; D220-G222 PolarHBondContact O-N 3.14Å |
| 223 | R | 92.3 | Very high | 94.3 | Very high | 11 Ų | 11 | 34.6 Ų | 34.6 | 4% | 0.042 | 16% | 0.163 | C | C | . | . | trans | -83.7 | 147.6 | 177.7 | -63.3 | 175.4 | 160 | 161.6 | -4.4 | 111.2 | T20 G60 E154 D190 L218 A219 | T20-R223 HydrophobicContact CG2-CG 3.97Å; T20-R223 WeakPolarHBondContact OG1-CG 3.46Å; G60-R223 PolarHBondContact N-O 3.34Å; G60-R223 VanDerWaalsContact N-O 3.08Å; E154-R223 VanDerWaalsContact CD-NH1 3.26Å; E154-R223 IonicContact OE1-CZ 2.92Å; E154-R223 IonicContact OE1-NH1 3.92Å; E154-R223 PolarHBondContact OE1-NH1 3.22Å; E154-R223 IonicContact OE2-CZ 3.79Å; E154-R223 IonicContact OE2-NH1 3.83Å; E154-R223 PolarHBondContact OE2-NH1 3.15Å; E154-R223 IonicContact OE2-NH2 3.93Å; D190-R223 IonicContact OD1-NH2 3.79Å; D190-R223 PolarHBondContact OD1-NH2 2.84Å; D190-R223 VanDerWaalsContact OD1-NH2 3.07Å; L218-R223 WeakPolarHBondContact O-CB 3.34Å; A219-R223 PolarHBondContact O-N 3.49Å | ||
| 224 | T | 95.9 | Very high | 94.2 | Very high | 1 Ų | 1 | 34.5 Ų | 34.5 | 1% | 0.006 | 16% | 0.159 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.5 | 112.3 | 173.3 | -53.7 | 0 | 0 | 0 | 0 | 109.3 | T23 P59 V193 L194 V226 | T23-T224 WeakPolarHBondContact O-CB 3.49Å; T23-T224 WeakPolarHBondContact O-CG2 3.4Å; T23-T224 PolarHBondContact O-OG1 3.42Å; P59-T224 WeakPolarHBondContact CA-OG1 3.48Å; V193-T224 WeakPolarHBondContact CA-O 3.43Å; V193-T224 HydrophobicContact CG1-CG2 4.14Å; V193-T224 HydrophobicContact CG2-CG2 4.28Å; L194-T224 PolarHBondContact N-O 2.82Å; T224-V226 HydrophobicContact CG2-CG2 4.46Å |
| 225 | I | 97.5 | Very high | 94.1 | Very high | 0 Ų | 0 | 37.4 Ų | 37.4 | 0% | 0 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.1 | 128.3 | 179.8 | -52.9 | -174 | 0 | 0 | 0 | 108.5 | G60 N62 L194 L196 L215 L218 A219 F227 | G60-I225 PolarHBondContact O-N 3.11Å; N62-I225 WeakPolarHBondContact CB-O 3.43Å; N62-I225 PolarHBondContact N-O 2.83Å; N62-I225 PolarHBondContact ND2-O 2.97Å; N62-I225 VanDerWaalsContact ND2-O 3.16Å; L194-I225 WeakPolarHBondContact O-CA 3.16Å; L196-I225 HydrophobicContact CD1-CG2 3.42Å; L196-I225 VanDerWaalsContact CD1-CG2 3.42Å; L215-I225 HydrophobicContact CB-CD1 4.28Å; L215-I225 HydrophobicContact CD2-CD1 4.4Å; L215-I225 HydrophobicContact CD2-CG2 4.49Å; L215-I225 WeakPolarHBondContact O-CD1 3.15Å; L218-I225 HydrophobicContact CB-CD1 3.72Å; A219-I225 HydrophobicContact CB-CD1 3.98Å; A219-I225 HydrophobicContact CB-CG1 4.35Å; I225-F227 HydrophobicContact CG2-CD1 4.03Å |
| 226 | V | 98.1 | Very high | 94.1 | Very high | 0 Ų | 0 | 37.8 Ų | 37.8 | 0% | 0 | 18% | 0.181 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.4 | 122.7 | 177.5 | -176.4 | 0 | 0 | 0 | 0 | 108 | L25 M57 N62 I64 L76 V193 L194 Y195 L196 T224 | L25-V226 HydrophobicContact CD2-CG2 4.22Å; M57-V226 HydrophobicContact CB-CG2 4.28Å; M57-V226 HydrophobicContact CE-CG1 3.95Å; M57-V226 HydrophobicContact CG-CG2 4.48Å; M57-V226 HydrophobicContact SD-CB 4.13Å; M57-V226 HydrophobicContact SD-CG1 3.42Å; M57-V226 WeakPolarHBondContact SD-CG1 3.47Å; M57-V226 HydrophobicContact SD-CG2 3.52Å; M57-V226 VanDerWaalsContact SD-CG2 3.52Å; N62-V226 HydrophobicContact CB-CG2 4.25Å; N62-V226 WeakPolarHBondContact O-CA 3.4Å; I64-V226 HydrophobicContact CD1-CG1 3.95Å; L76-V226 HydrophobicContact CD2-CG1 3.74Å; V193-V226 HydrophobicContact CG1-CG2 3.84Å; L194-V226 PolarHBondContact O-N 2.98Å; Y195-V226 CarbonylContact C-O 3.48Å; Y195-V226 WeakPolarHBondContact CA-O 3.27Å; Y195-V226 HydrophobicContact CD1-CB 3.75Å; Y195-V226 HydrophobicContact CD1-CG1 4.1Å; Y195-V226 HydrophobicContact CD1-CG2 4.35Å; Y195-V226 HydrophobicContact CE1-CB 3.96Å; Y195-V226 HydrophobicContact CE1-CG1 4.26Å; Y195-V226 HydrophobicContact CE1-CG2 4.09Å; L196-V226 PolarHBondContact N-O 3.3Å; T224-V226 HydrophobicContact CG2-CG2 4.46Å |
| 227 | F | 97.9 | Very high | 94 | Very high | 0 Ų | 0 | 34.9 Ų | 34.9 | 0% | 0 | 17% | 0.17 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.3 | 146.8 | -178.4 | 62.3 | -82.7 | 0 | 0 | 0 | 113 | M61 N62 A63 I64 L196 P199 I212 I225 I229 F240 | M61-F227 HydrophobicContact CB-CE1 4.22Å; M61-F227 HydrophobicContact CE-CE1 3.55Å; M61-F227 HydrophobicContact CE-CZ 3.4Å; M61-F227 VanDerWaalsContact CE-CZ 3.4Å; M61-F227 HydrophobicContact CG-CE1 4.38Å; N62-F227 PolarHBondContact O-N 2.67Å; A63-F227 CarbonylContact C-O 3.47Å; A63-F227 WeakPolarHBondContact CA-O 3.49Å; A63-F227 HydrophobicContact CB-CE1 4.42Å; A63-F227 HydrophobicContact CB-CE2 3.94Å; A63-F227 HydrophobicContact CB-CZ 3.79Å; I64-F227 PolarHBondContact N-O 3.42Å; L196-F227 HydrophobicContact CB-CB 3.82Å; L196-F227 HydrophobicContact CD1-CB 4.11Å; L196-F227 CarbonylContact O-C 3.55Å; L196-F227 WeakPolarHBondContact O-CA 3.47Å; L196-F227 WeakPolarHBondContact O-CB 3.16Å; P199-F227 HydrophobicContact CG-CB 4.3Å; P199-F227 HydrophobicContact CG-CD2 4.26Å; I212-F227 HydrophobicContact CD1-CE2 4.47Å; I225-F227 HydrophobicContact CG2-CD1 4.03Å; F227-I229 HydrophobicContact CD2-CB 4.24Å; F227-I229 HydrophobicContact CE2-CB 4.25Å; F227-I229 HydrophobicContact CE2-CD1 4.36Å; F227-I229 HydrophobicContact CE2-CG2 4.27Å; F227-F240 HydrophobicContact CE2-CD1 4.39Å; F227-F240 AromaticContact CE2-CE1 3.74Å; F227-F240 HydrophobicContact CE2-CE1 3.74Å; F227-F240 HydrophobicContact CE2-CZ 4.17Å; F227-F240 AromaticContact CZ-CD1 3.72Å; F227-F240 HydrophobicContact CZ-CD1 3.72Å; F227-F240 AromaticContact CZ-CE1 3.48Å; F227-F240 HydrophobicContact CZ-CE1 3.48Å; F227-F240 VanDerWaalsContact CZ-CE1 3.48Å; F227-F240 HydrophobicContact CZ-CZ 4.3Å |
| 228 | S | 97.3 | Very high | 94 | Very high | 0 Ų | 0 | 36.8 Ų | 36.8 | 0% | 0 | 18% | 0.177 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.9 | 145.7 | 167.3 | 56.4 | 0 | 0 | 0 | 0 | 109.2 | I64 L76 L196 D197 E198 P199 | I64-S228 WeakPolarHBondContact O-CA 3.04Å; L76-S228 VanDerWaalsContact CD1-OG 3.31Å; L76-S228 WeakPolarHBondContact CD1-OG 3.46Å; L196-S228 PolarHBondContact O-N 3.34Å; D197-S228 WeakPolarHBondContact CA-OG 3.32Å; D197-S228 PolarHBondContact OD1-OG 3.04Å; E198-S228 VanDerWaalsContact CA-O 3.3Å; E198-S228 WeakPolarHBondContact CA-O 3.42Å; E198-S228 WeakPolarHBondContact CG-OG 3.37Å; E198-S228 PolarHBondContact N-O 2.87Å; E198-S228 PolarHBondContact N-OG 3.07Å; P199-S228 WeakPolarHBondContact CD-O 3.22Å |
| 229 | I | 95 | Very high | 94.1 | Very high | 0 Ų | 0 | 38.4 Ų | 38.4 | 0% | 0 | 19% | 0.186 | C | C | . | . | trans | -144.5 | 144.3 | 174 | -166.7 | 156.4 | 0 | 0 | 0 | 110.6 | I64 I65 T200 I212 F227 P232 I236 F240 | I64-I229 PolarHBondContact O-N 3.08Å; I65-I229 HydrophobicContact CD1-CG2 3.99Å; I65-I229 HydrophobicContact CG1-CG2 3.66Å; T200-I229 HydrophobicContact CG2-CD1 3.99Å; I212-I229 HydrophobicContact CD1-CD1 4.32Å; F227-I229 HydrophobicContact CD2-CB 4.24Å; F227-I229 HydrophobicContact CE2-CB 4.25Å; F227-I229 HydrophobicContact CE2-CD1 4.36Å; F227-I229 HydrophobicContact CE2-CG2 4.27Å; I229-P232 HydrophobicContact CD1-CB 3.82Å; I229-P232 HydrophobicContact CG1-CB 4.12Å; I229-P232 HydrophobicContact CG1-CG 4.47Å; I229-P232 HydrophobicContact CG2-CB 4.49Å; I229-P232 HydrophobicContact CG2-CG 4.07Å; I229-I236 HydrophobicContact CD1-CG2 3.77Å; I229-F240 HydrophobicContact CD1-CZ 4.39Å; I229-F240 HydrophobicContact CG2-CE2 4.38Å; I229-F240 HydrophobicContact CG2-CZ 4.01Å | ||
| 230 | H | 89.2 | Confident | 94.2 | Very high | 58 Ų | 58 | 38.5 Ų | 38.5 | 27% | 0.269 | 19% | 0.185 | S | C | . | . | S | Bend | trans | -109.5 | 125.1 | 176.3 | -169.6 | -85.6 | 0 | 0 | 0 | 108.9 | T68 | T68-H230 PolarHBondContact OG1-NE2 3.3Š|
| 231 | Q | 88.5 | Confident | 94.3 | Very high | 106 Ų | 106 | 37.6 Ų | 37.6 | 50% | 0.495 | 18% | 0.18 | S | C | . | . | S | Bend | trans | 43.2 | 62.7 | 174.7 | -67.8 | 171.4 | -29.5 | 0 | 0 | 114.7 | M283 | Q231-M283 HydrophobicContact CG-CE 4.48Š|
| 232 | P | 94.2 | Very high | 94.7 | Very high | 4 Ų | 4 | 37.8 Ų | 37.8 | 3% | 0.026 | 18% | 0.176 | C | C | . | . | trans | -70.2 | 140.9 | 177.3 | 28.1 | -33.4 | 0 | 0 | 0 | 112.2 | I65 I229 I236 F240 N277 A279 | I65-P232 HydrophobicContact CD1-CG 3.91Å; I229-P232 HydrophobicContact CD1-CB 3.82Å; I229-P232 HydrophobicContact CG1-CB 4.12Å; I229-P232 HydrophobicContact CG1-CG 4.47Å; I229-P232 HydrophobicContact CG2-CB 4.49Å; I229-P232 HydrophobicContact CG2-CG 4.07Å; P232-I236 HydrophobicContact CB-CB 4.12Å; P232-I236 HydrophobicContact CB-CG2 3.64Å; P232-F240 HydrophobicContact CB-CZ 4.16Å; P232-F240 HydrophobicContact CG-CE2 4.12Å; P232-F240 HydrophobicContact CG-CZ 4.14Å; P232-N277 PolarHBondContact O-ND2 3.27Å; P232-A279 HydrophobicContact CG-CB 3.65Å | ||
| 233 | K | 93.3 | Very high | 95.1 | Very high | 107 Ų | 107 | 37 Ų | 37 | 47% | 0.465 | 17% | 0.168 | S | C | . | . | trans | -58.9 | 153.8 | 165.2 | -71.3 | -169.6 | 169.3 | -173.2 | 0 | 111.2 | S205 S235 I236 Y237 | S205-K233 PolarHBondContact OG-NZ 3.34Å; K233-S235 PolarHBondContact O-N 2.71Å; K233-S235 VanDerWaalsContact O-N 3.14Å; K233-I236 WeakPolarHBondContact O-CA 3.45Å; K233-I236 WeakPolarHBondContact O-CB 3.16Å; K233-I236 PolarHBondContact O-N 3.29Å; K233-Y237 PolarHBondContact O-N 2.94Å | ||
| 234 | Y | 93.8 | Very high | 95.4 | Very high | 116 Ų | 116 | 36.5 Ų | 36.5 | 46% | 0.455 | 17% | 0.166 | S | C | . | . | H | α-helix | trans | -53.2 | -38.2 | 176.8 | -179 | -107.2 | 0 | 0 | 0 | 113.7 | I236 Y237 R238 N277 P278 | Y234-I236 PolarHBondContact O-N 3.41Å; Y234-Y237 HydrophobicContact CD2-CD1 4.15Å; Y234-Y237 HydrophobicContact CE2-CD1 4.24Å; Y234-Y237 PolarHBondContact O-N 2.79Å; Y234-R238 PolarHBondContact O-N 2.58Å; Y234-N277 PolarHBondContact N-OD1 2.99Å; Y234-P278 HydrophobicContact CD2-CG 4.17Å; Y234-P278 HydrophobicContact CE2-CG 4.27Å |
| 235 | S | 94.3 | Very high | 95.4 | Very high | 61 Ų | 61 | 36.5 Ų | 36.5 | 43% | 0.427 | 17% | 0.166 | S | C | . | . | H | α-helix | trans | -61.5 | -26.8 | 177.6 | 59 | 0 | 0 | 0 | 0 | 113.8 | K233 R238 | K233-S235 PolarHBondContact O-N 2.71Å; K233-S235 VanDerWaalsContact O-N 3.14Å; S235-R238 WeakPolarHBondContact O-CG 3.4Å |
| 236 | I | 95.7 | Very high | 95.3 | Very high | 9 Ų | 9 | 36.5 Ų | 36.5 | 5% | 0.046 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -86 | -46.6 | 173.1 | -72.1 | 170.7 | 0 | 0 | 0 | 109.8 | A208 I212 I229 P232 K233 Y234 R238 L239 F240 | A208-I236 HydrophobicContact CB-CD1 4.37Å; I212-I236 HydrophobicContact CB-CG1 4.3Å; I212-I236 HydrophobicContact CB-CG2 4.49Å; I212-I236 HydrophobicContact CG1-CD1 4.11Å; I212-I236 HydrophobicContact CG1-CG1 4.12Å; I212-I236 HydrophobicContact CG1-CG2 3.96Å; I212-I236 HydrophobicContact CG2-CG1 4.48Å; I212-I236 HydrophobicContact CG2-CG2 4.11Å; I229-I236 HydrophobicContact CD1-CG2 3.77Å; P232-I236 HydrophobicContact CB-CB 4.12Å; P232-I236 HydrophobicContact CB-CG2 3.64Å; K233-I236 WeakPolarHBondContact O-CA 3.45Å; K233-I236 WeakPolarHBondContact O-CB 3.16Å; K233-I236 PolarHBondContact O-N 3.29Å; Y234-I236 PolarHBondContact O-N 3.41Å; I236-R238 VanDerWaalsContact C-N 3.29Å; I236-R238 PolarHBondContact O-N 3.18Å; I236-L239 WeakPolarHBondContact O-CB 3.36Å; I236-L239 PolarHBondContact O-N 3.3Å; I236-F240 HydrophobicContact CG2-CE1 3.73Å; I236-F240 HydrophobicContact CG2-CZ 3.69Å; I236-F240 WeakPolarHBondContact O-CE1 3.42Å |
| 237 | Y | 95.7 | Very high | 95 | Very high | 3 Ų | 3 | 36.5 Ų | 36.5 | 1% | 0.012 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -53.4 | -43.9 | -179.2 | 174.1 | -97.9 | 0 | 0 | 0 | 112.9 | K233 Y234 L239 F240 L243 G258 P278 A279 F282 | K233-Y237 PolarHBondContact O-N 2.94Å; Y234-Y237 HydrophobicContact CD2-CD1 4.15Å; Y234-Y237 HydrophobicContact CE2-CD1 4.24Å; Y234-Y237 PolarHBondContact O-N 2.79Å; Y237-L239 PolarHBondContact O-N 3.11Å; Y237-F240 AromaticContact CD2-CD2 3.93Å; Y237-F240 HydrophobicContact CD2-CD2 3.93Å; Y237-F240 AromaticContact CD2-CE2 3.94Å; Y237-F240 HydrophobicContact CD2-CE2 3.94Å; Y237-F240 HydrophobicContact CE2-CD2 4.45Å; Y237-F240 WeakPolarHBondContact O-CB 3.47Å; Y237-F240 WeakPolarHBondContact O-CD2 3.5Å; Y237-F240 VanDerWaalsContact O-CG 3.29Å; Y237-F240 WeakPolarHBondContact O-CG 3.41Å; Y237-F240 PolarHBondContact O-N 3.33Å; Y237-L243 HydrophobicContact CE2-CD2 4.02Å; Y237-G258 WeakPolarHBondContact CE1-O 3.11Å; Y237-G258 PolarHBondContact OH-O 2.6Å; Y237-P278 HydrophobicContact CD1-CB 4.3Å; Y237-P278 HydrophobicContact CD1-CG 4.32Å; Y237-P278 HydrophobicContact CE1-CB 3.88Å; Y237-P278 HydrophobicContact CE1-CG 4.09Å; Y237-P278 HydrophobicContact CE2-CB 4.49Å; Y237-A279 HydrophobicContact CD2-CB 4.27Å; Y237-F282 AromaticContact CE2-CE2 3.82Å; Y237-F282 HydrophobicContact CE2-CE2 3.82Å; Y237-F282 AromaticContact CZ-CE2 3.98Å |
| 238 | R | 94.8 | Very high | 94.7 | Very high | 163 Ų | 163 | 39.4 Ų | 39.4 | 62% | 0.615 | 18% | 0.182 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -63.5 | -14.2 | -179.5 | 72.2 | 179 | -174.3 | 167.3 | 3.6 | 114.6 | Y234 S235 I236 | Y234-R238 PolarHBondContact O-N 2.58Å; S235-R238 WeakPolarHBondContact O-CG 3.4Å; I236-R238 VanDerWaalsContact C-N 3.29Å; I236-R238 PolarHBondContact O-N 3.18Å |
| 239 | L | 95.9 | Very high | 94.4 | Very high | 34 Ų | 34 | 39.5 Ų | 39.5 | 18% | 0.178 | 18% | 0.182 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -86.6 | -8.5 | -179 | -59.8 | 174.7 | 0 | 0 | 0 | 112.8 | M61 I212 R216 I236 Y237 | M61-L239 HydrophobicContact CE-CB 4.27Å; M61-L239 HydrophobicContact SD-CB 4.33Å; I212-L239 HydrophobicContact CG2-CD1 3.74Å; R216-L239 PolarHBondContact NH1-O 3.23Å; I236-L239 WeakPolarHBondContact O-CB 3.36Å; I236-L239 PolarHBondContact O-N 3.3Å; Y237-L239 PolarHBondContact O-N 3.11Å |
| 240 | F | 96.5 | Very high | 94.3 | Very high | 8 Ų | 8 | 42.6 Ų | 42.6 | 4% | 0.035 | 20% | 0.197 | C | C | . | . | trans | -77.2 | 124.1 | -176.8 | -55 | -18.2 | 0 | 0 | 0 | 111 | M61 A63 I65 F227 I229 P232 I236 Y237 L243 | M61-F240 HydrophobicContact CE-CD1 3.81Å; M61-F240 HydrophobicContact CE-CE1 4.12Å; A63-F240 HydrophobicContact CB-CB 4.33Å; A63-F240 HydrophobicContact CB-CD1 3.98Å; A63-F240 HydrophobicContact CB-CD2 3.61Å; A63-F240 HydrophobicContact CB-CE1 4.15Å; A63-F240 HydrophobicContact CB-CE2 3.8Å; A63-F240 HydrophobicContact CB-CG 3.7Å; A63-F240 HydrophobicContact CB-CZ 4.06Å; I65-F240 HydrophobicContact CD1-CE2 4.02Å; F227-F240 HydrophobicContact CE2-CD1 4.39Å; F227-F240 AromaticContact CE2-CE1 3.74Å; F227-F240 HydrophobicContact CE2-CE1 3.74Å; F227-F240 HydrophobicContact CE2-CZ 4.17Å; F227-F240 AromaticContact CZ-CD1 3.72Å; F227-F240 HydrophobicContact CZ-CD1 3.72Å; F227-F240 AromaticContact CZ-CE1 3.48Å; F227-F240 HydrophobicContact CZ-CE1 3.48Å; F227-F240 VanDerWaalsContact CZ-CE1 3.48Å; F227-F240 HydrophobicContact CZ-CZ 4.3Å; I229-F240 HydrophobicContact CD1-CZ 4.39Å; I229-F240 HydrophobicContact CG2-CE2 4.38Å; I229-F240 HydrophobicContact CG2-CZ 4.01Å; P232-F240 HydrophobicContact CB-CZ 4.16Å; P232-F240 HydrophobicContact CG-CE2 4.12Å; P232-F240 HydrophobicContact CG-CZ 4.14Å; I236-F240 HydrophobicContact CG2-CE1 3.73Å; I236-F240 HydrophobicContact CG2-CZ 3.69Å; I236-F240 WeakPolarHBondContact O-CE1 3.42Å; Y237-F240 AromaticContact CD2-CD2 3.93Å; Y237-F240 HydrophobicContact CD2-CD2 3.93Å; Y237-F240 AromaticContact CD2-CE2 3.94Å; Y237-F240 HydrophobicContact CD2-CE2 3.94Å; Y237-F240 HydrophobicContact CE2-CD2 4.45Å; Y237-F240 WeakPolarHBondContact O-CB 3.47Å; Y237-F240 WeakPolarHBondContact O-CD2 3.5Å; Y237-F240 VanDerWaalsContact O-CG 3.29Å; Y237-F240 WeakPolarHBondContact O-CG 3.41Å; Y237-F240 PolarHBondContact O-N 3.33Å; F240-L243 HydrophobicContact CD2-CD1 4.4Å | ||
| 241 | D | 97 | Very high | 94.6 | Very high | 62 Ų | 62 | 40.4 Ų | 40.4 | 33% | 0.332 | 19% | 0.187 | S | C | . | . | S | Bend | trans | -77.3 | -39.2 | 173.7 | -58 | -46.5 | 0 | 0 | 0 | 110.5 | G60 M61 R216 P256 G257 | G60-D241 VanDerWaalsContact CA-OD2 3.31Å; G60-D241 WeakPolarHBondContact CA-OD2 3.36Å; M61-D241 PolarHBondContact N-OD2 2.83Å; M61-D241 PolarHBondContact O-N 3.48Å; R216-D241 IonicContact CZ-OD1 3.24Å; R216-D241 IonicContact NH1-OD1 2.71Å; R216-D241 PolarHBondContact NH1-OD1 3.45Å; R216-D241 IonicContact NH1-OD2 3.17Å; R216-D241 IonicContact NH2-OD1 2.9Å; D241-P256 WeakPolarHBondContact O-CA 3.28Å; D241-G257 PolarHBondContact O-N 2.92Å |
| 242 | R | 97.2 | Very high | 94.9 | Very high | 34 Ų | 34 | 35.3 Ų | 35.3 | 13% | 0.128 | 16% | 0.163 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.7 | 149.5 | 172.8 | -72.7 | -174.5 | 81.1 | 88.3 | -6.1 | 112.2 | M61 A63 H254 G255 | M61-R242 PolarHBondContact O-N 2.87Å; M61-R242 VanDerWaalsContact O-N 3.12Å; A63-R242 PolarHBondContact N-O 2.91Å; R242-H254 PolarHBondContact NH2-NE2 3.3Å; R242-G255 CarbonylContact C-O 3.56Å; R242-G255 WeakPolarHBondContact CA-O 3.41Å; R242-G255 VanDerWaalsContact CB-O 3.29Å; R242-G255 WeakPolarHBondContact CB-O 3.41Å |
| 243 | L | 97.4 | Very high | 95 | Very high | 0 Ų | 0 | 35.1 Ų | 35.1 | 0% | 0 | 16% | 0.162 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.8 | 134.2 | 178.2 | -179.4 | 64.9 | 0 | 0 | 0 | 110.4 | A63 I65 Y237 F240 I245 Y253 H254 G255 P261 F282 | A63-L243 HydrophobicContact CB-CD1 4.17Å; I65-L243 HydrophobicContact CB-CD1 4.22Å; I65-L243 HydrophobicContact CD1-CD1 3.54Å; I65-L243 HydrophobicContact CG1-CD1 3.69Å; Y237-L243 HydrophobicContact CE2-CD2 4.02Å; F240-L243 HydrophobicContact CD2-CD1 4.4Å; L243-I245 HydrophobicContact CD1-CG1 4.41Å; L243-I245 HydrophobicContact CD2-CD1 3.88Å; L243-I245 HydrophobicContact CD2-CG1 3.96Å; L243-I245 HydrophobicContact CG-CD1 4.4Å; L243-I245 HydrophobicContact CG-CG1 3.94Å; L243-Y253 HydrophobicContact CB-CD1 4.44Å; L243-Y253 HydrophobicContact CB-CE1 4.14Å; L243-Y253 HydrophobicContact CD2-CD1 4.49Å; L243-Y253 HydrophobicContact CG-CD1 4.39Å; L243-Y253 WeakPolarHBondContact O-CD1 3.47Å; L243-Y253 WeakPolarHBondContact O-CE1 3.42Å; L243-H254 WeakPolarHBondContact O-CA 3.46Å; L243-G255 PolarHBondContact N-O 2.65Å; L243-G255 PolarHBondContact O-N 3.37Å; L243-P261 HydrophobicContact CD2-CB 4.06Å; L243-P261 HydrophobicContact CD2-CG 3.74Å; L243-F282 HydrophobicContact CD2-CD2 4.33Å; L243-F282 HydrophobicContact CD2-CE2 3.99Å |
| 244 | T | 97.5 | Very high | 95.2 | Very high | 1 Ų | 1 | 30.1 Ų | 30.1 | 1% | 0.006 | 14% | 0.14 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120 | 124.4 | 169.5 | -53.3 | 0 | 0 | 0 | 0 | 108.6 | A63 I64 I65 I246 M251 Y253 H254 | A63-T244 PolarHBondContact O-N 2.83Å; I64-T244 CarbonylContact C-O 2.85Å; I64-T244 WeakPolarHBondContact CA-O 3.49Å; I65-T244 PolarHBondContact N-O 3.33Å; T244-I246 HydrophobicContact CG2-CD1 4.37Å; T244-I246 HydrophobicContact CG2-CG1 4.12Å; T244-M251 HydrophobicContact CG2-CE 4Å; T244-Y253 CarbonylContact C-O 3.6Å; T244-Y253 WeakPolarHBondContact CA-O 3.31Å; T244-H254 HydrophobicContact CG2-CB 4.49Å; T244-H254 PolarHBondContact OG1-ND1 3.07Å |
| 245 | I | 96.7 | Very high | 95.3 | Very high | 0 Ų | 0 | 24.6 Ų | 24.6 | 0% | 0 | 12% | 0.119 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.5 | 128.2 | 178.1 | -55.5 | 178.7 | 0 | 0 | 0 | 108.8 | I65 L243 I252 Y253 F265 F282 L286 | I65-I245 WeakPolarHBondContact O-CA 3.26Å; L243-I245 HydrophobicContact CD1-CG1 4.41Å; L243-I245 HydrophobicContact CD2-CD1 3.88Å; L243-I245 HydrophobicContact CD2-CG1 3.96Å; L243-I245 HydrophobicContact CG-CD1 4.4Å; L243-I245 HydrophobicContact CG-CG1 3.94Å; I245-I252 HydrophobicContact CB-CB 4.37Å; I245-I252 HydrophobicContact CG2-CB 4.15Å; I245-I252 HydrophobicContact CG2-CG2 4.48Å; I245-I252 PolarHBondContact O-N 3.5Å; I245-Y253 HydrophobicContact CD1-CD1 4.37Å; I245-Y253 HydrophobicContact CD1-CG 4.43Å; I245-Y253 HydrophobicContact CG1-CD1 4.34Å; I245-Y253 PolarHBondContact N-O 2.91Å; I245-Y253 PolarHBondContact O-N 3.3Å; I245-F265 HydrophobicContact CD1-CE2 3.68Å; I245-F265 HydrophobicContact CD1-CZ 4.02Å; I245-F282 HydrophobicContact CD1-CB 4.26Å; I245-F282 HydrophobicContact CD1-CD2 3.9Å; I245-F282 HydrophobicContact CD1-CE2 4.49Å; I245-F282 HydrophobicContact CD1-CG 4.02Å; I245-L286 HydrophobicContact CG2-CD1 3.53Å |
| 246 | I | 94.8 | Very high | 95.4 | Very high | 0 Ų | 0 | 24.2 Ų | 24.2 | 0% | 0 | 12% | 0.115 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.8 | 134.4 | -176.2 | -56 | 173.9 | 0 | 0 | 0 | 109.7 | I64 I65 G66 C70 L75 T244 Q250 | I64-I246 HydrophobicContact CG2-CD1 3.64Å; I64-I246 HydrophobicContact CG2-CG1 4.3Å; I65-I246 PolarHBondContact O-N 2.91Å; G66-I246 WeakPolarHBondContact CA-O 3.39Å; C70-I246 PolarHBondContact SG-O 3.06Å; L75-I246 HydrophobicContact CB-CD1 4.36Å; L75-I246 HydrophobicContact CD2-CD1 3.28Å; L75-I246 HydrophobicContact CG-CD1 4.43Å; T244-I246 HydrophobicContact CG2-CD1 4.37Å; T244-I246 HydrophobicContact CG2-CG1 4.12Å; I246-Q250 WeakPolarHBondContact CA-O 3.37Å; I246-Q250 WeakPolarHBondContact CG2-O 3.31Å |
| 247 | S | 93.2 | Very high | 95.3 | Very high | 0 Ų | 0 | 24.2 Ų | 24.2 | 0% | 0 | 12% | 0.117 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.1 | 140.3 | 170.6 | -164.8 | 0 | 0 | 0 | 0 | 110.7 | G249 Q250 C319 | S247-G249 PolarHBondContact O-N 3.28Å; S247-G249 VanDerWaalsContact O-N 3.09Å; S247-Q250 PolarHBondContact N-O 3.07Å; S247-Q250 PolarHBondContact O-N 2.96Å; S247-C319 PolarHBondContact OG-SG 3.13Å |
| 248 | N | 89.8 | Confident | 95.1 | Very high | 62 Ų | 62 | 25.4 Ų | 25.4 | 33% | 0.332 | 13% | 0.13 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 45.3 | 41 | -176.1 | -72.2 | -11.2 | 0 | 0 | 0 | 114 | Q250 R315 | N248-Q250 PolarHBondContact O-N 3.14Å; N248-R315 PolarHBondContact OD1-NH2 3.25Å |
| 249 | G | 91.7 | Very high | 95 | Very high | 1 Ų | 1 | 23.2 Ų | 23.2 | 1% | 0.01 | 13% | 0.127 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 73.4 | 6.5 | 179.4 | 0 | 0 | 0 | 0 | 0 | 115.8 | V49 L50 S51 C70 S247 | V49-G249 WeakPolarHBondContact O-CA 3.33Å; L50-G249 WeakPolarHBondContact CA-O 3.46Å; S51-G249 PolarHBondContact N-O 3.12Å; C70-G249 WeakPolarHBondContact O-CA 3.39Å; C70-G249 PolarHBondContact O-N 3.3Å; C70-G249 VanDerWaalsContact O-N 3.09Å; S247-G249 PolarHBondContact O-N 3.28Å; S247-G249 VanDerWaalsContact O-N 3.09Å |
| 250 | Q | 94.1 | Very high | 95 | Very high | 66 Ų | 66 | 24.2 Ų | 24.2 | 31% | 0.308 | 14% | 0.135 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.1 | 155.3 | -179 | -66.9 | -168.5 | 19.6 | 0 | 0 | 111.7 | I246 S247 N248 I323 | I246-Q250 WeakPolarHBondContact CA-O 3.37Å; I246-Q250 WeakPolarHBondContact CG2-O 3.31Å; S247-Q250 PolarHBondContact N-O 3.07Å; S247-Q250 PolarHBondContact O-N 2.96Å; N248-Q250 PolarHBondContact O-N 3.14Å; Q250-I323 HydrophobicContact CB-CD1 4.03Å; Q250-I323 HydrophobicContact CB-CG1 4.19Å; Q250-I323 HydrophobicContact CG-CD1 4.4Å |
| 251 | M | 94.2 | Very high | 94.9 | Very high | 11 Ų | 11 | 23.9 Ų | 23.9 | 5% | 0.054 | 13% | 0.133 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.7 | 124.5 | -179 | -166.9 | 169.5 | -75.7 | 0 | 0 | 110 | F27 L53 S54 T244 H254 W326 | F27-M251 HydrophobicContact CE2-CE 3.7Å; F27-M251 HydrophobicContact CZ-CE 3.87Å; L53-M251 HydrophobicContact CB-CE 4.46Å; L53-M251 HydrophobicContact CD2-CB 3.68Å; L53-M251 HydrophobicContact CD2-CE 4.19Å; L53-M251 VanDerWaalsContact CD2-N 3.34Å; S54-M251 WeakPolarHBondContact O-CE 3.45Å; S54-M251 VanDerWaalsContact O-SD 3.34Å; T244-M251 HydrophobicContact CG2-CE 4Å; M251-H254 HydrophobicContact CE-CB 4.26Å; M251-H254 HydrophobicContact CG-CB 4.05Å; M251-H254 HydrophobicContact SD-CB 3.34Å; M251-H254 WeakPolarHBondContact SD-CB 3.5Å; M251-W326 HydrophobicContact CG-CZ2 4.45Å; M251-W326 VanDerWaalsContact O-CD1 3.25Å; M251-W326 HydrophobicContact SD-CZ2 4.01Å |
| 252 | I | 95.4 | Very high | 94.8 | Very high | 0 Ų | 0 | 21.3 Ų | 21.3 | 0% | 0 | 12% | 0.12 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.2 | -35.7 | 177.5 | -58.5 | -56.2 | 0 | 0 | 0 | 110.9 | I245 Y264 F265 L286 L322 I323 W326 | I245-I252 HydrophobicContact CB-CB 4.37Å; I245-I252 HydrophobicContact CG2-CB 4.15Å; I245-I252 HydrophobicContact CG2-CG2 4.48Å; I245-I252 PolarHBondContact O-N 3.5Å; I252-Y264 PolarHBondContact O-OH 2.8Å; I252-F265 HydrophobicContact CG2-CE1 4.18Å; I252-F265 HydrophobicContact CG2-CZ 3.98Å; I252-L286 HydrophobicContact CG1-CD2 4.02Å; I252-L286 HydrophobicContact CG2-CD2 4.25Å; I252-L322 HydrophobicContact CD1-CB 4.03Å; I252-L322 HydrophobicContact CG2-CB 3.95Å; I252-L322 HydrophobicContact CG2-CD1 4.09Å; I252-L322 HydrophobicContact CG2-CG 4.5Å; I252-I323 HydrophobicContact CD1-CG1 3.81Å; I252-W326 WeakPolarHBondContact O-CB 3.43Å |
| 253 | Y | 96.6 | Very high | 94.6 | Very high | 0 Ų | 0 | 23.1 Ų | 23.1 | 0% | 0 | 13% | 0.134 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -152.3 | 142.7 | 178.4 | 176.1 | -92.4 | 0 | 0 | 0 | 109.7 | L243 T244 I245 P256 P261 Y264 W326 L331 | L243-Y253 HydrophobicContact CB-CD1 4.44Å; L243-Y253 HydrophobicContact CB-CE1 4.14Å; L243-Y253 HydrophobicContact CD2-CD1 4.49Å; L243-Y253 HydrophobicContact CG-CD1 4.39Å; L243-Y253 WeakPolarHBondContact O-CD1 3.47Å; L243-Y253 WeakPolarHBondContact O-CE1 3.42Å; T244-Y253 CarbonylContact C-O 3.6Å; T244-Y253 WeakPolarHBondContact CA-O 3.31Å; I245-Y253 HydrophobicContact CD1-CD1 4.37Å; I245-Y253 HydrophobicContact CD1-CG 4.43Å; I245-Y253 HydrophobicContact CG1-CD1 4.34Å; I245-Y253 PolarHBondContact N-O 2.91Å; I245-Y253 PolarHBondContact O-N 3.3Å; Y253-P256 PolarHBondContact OH-O 3.18Å; Y253-P261 HydrophobicContact CD1-CB 4.38Å; Y253-P261 HydrophobicContact CD1-CG 4.45Å; Y253-P261 HydrophobicContact CE1-CB 4.02Å; Y253-P261 HydrophobicContact CE1-CG 3.71Å; Y253-P261 HydrophobicContact CE2-CB 4.23Å; Y253-P261 HydrophobicContact CE2-CG 4.46Å; Y253-Y264 AromaticContact CD2-CD1 3.53Å; Y253-Y264 HydrophobicContact CD2-CD1 3.53Å; Y253-Y264 HydrophobicContact CD2-CD2 4.27Å; Y253-Y264 AromaticContact CD2-CE1 3.98Å; Y253-Y264 HydrophobicContact CD2-CE1 3.98Å; Y253-Y264 AromaticContact CD2-CG 3.67Å; Y253-Y264 HydrophobicContact CD2-CG 3.67Å; Y253-Y264 HydrophobicContact CE2-CD1 4.25Å; Y253-Y264 AromaticContact CE2-CG 4Å; Y253-Y264 HydrophobicContact CE2-CG 4Å; Y253-Y264 HydrophobicContact CG-CD1 4.38Å; Y253-W326 HydrophobicContact CD2-CZ3 4.35Å; Y253-L331 HydrophobicContact CD2-CD1 4.26Å; Y253-L331 HydrophobicContact CE2-CD1 3.48Å; Y253-L331 VanDerWaalsContact CE2-CD1 3.48Å |
| 254 | H | 96.9 | Very high | 94.6 | Very high | 1 Ų | 1 | 23.9 Ų | 23.9 | 1% | 0.005 | 14% | 0.137 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -150.4 | 112.5 | 169 | 177 | 76.9 | 0 | 0 | 0 | 111.1 | F56 R242 L243 T244 M251 W326 | F56-H254 PolarHBondContact N-NE2 3.41Å; F56-H254 VanDerWaalsContact N-NE2 3.1Å; F56-H254 PolarHBondContact O-CE1 3.08Å; F56-H254 PolarHBondContact O-NE2 3.27Å; R242-H254 PolarHBondContact NH2-NE2 3.3Å; L243-H254 WeakPolarHBondContact O-CA 3.46Å; T244-H254 HydrophobicContact CG2-CB 4.49Å; T244-H254 PolarHBondContact OG1-ND1 3.07Å; M251-H254 HydrophobicContact CE-CB 4.26Å; M251-H254 HydrophobicContact CG-CB 4.05Å; M251-H254 HydrophobicContact SD-CB 3.34Å; M251-H254 WeakPolarHBondContact SD-CB 3.5Å; H254-W326 HydrophobicContact CB-CH2 3.82Å; H254-W326 HydrophobicContact CB-CZ2 3.74Å; H254-W326 VanDerWaalsContact N-CH2 3.26Å; H254-W326 WeakPolarHBondContact O-CH2 3.27Å |
| 255 | G | 95.9 | Very high | 94.4 | Very high | 1 Ų | 1 | 23.9 Ų | 23.9 | 1% | 0.01 | 14% | 0.137 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -176.7 | -168.3 | -171.6 | 0 | 0 | 0 | 0 | 0 | 113.8 | R242 L243 | R242-G255 CarbonylContact C-O 3.56Å; R242-G255 WeakPolarHBondContact CA-O 3.41Å; R242-G255 VanDerWaalsContact CB-O 3.29Å; R242-G255 WeakPolarHBondContact CB-O 3.41Å; L243-G255 PolarHBondContact N-O 2.65Å; L243-G255 PolarHBondContact O-N 3.37Å |
| 256 | P | 96.4 | Very high | 94.3 | Very high | 53 Ų | 53 | 27.1 Ų | 27.1 | 34% | 0.344 | 15% | 0.152 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -56.8 | 147.4 | 171.6 | -21.8 | 33.6 | 0 | 0 | 0 | 112.3 | D241 Y253 | D241-P256 WeakPolarHBondContact O-CA 3.28Å; Y253-P256 PolarHBondContact OH-O 3.18Å |
| 257 | G | 93.5 | Very high | 94.2 | Very high | 9 Ų | 9 | 33.5 Ų | 33.5 | 9% | 0.093 | 19% | 0.186 | C | C | . | . | S | Bend | trans | -72.3 | -159.7 | 170.5 | 0 | 0 | 0 | 0 | 0 | 113 | D241 T260 | D241-G257 PolarHBondContact O-N 2.92Å; G257-T260 PolarHBondContact O-OG1 3.48Å |
| 258 | G | 91.7 | Very high | 94.1 | Very high | 28 Ų | 28 | 34.2 Ų | 34.2 | 29% | 0.289 | 19% | 0.191 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 73.9 | -129.7 | 175.3 | 0 | 0 | 0 | 0 | 0 | 113.2 | Y237 P261 | Y237-G258 WeakPolarHBondContact CE1-O 3.11Å; Y237-G258 PolarHBondContact OH-O 2.6Å; G258-P261 WeakPolarHBondContact O-CD 3.34Å |
| 259 | Q | 92.8 | Very high | 94.2 | Very high | 117 Ų | 117 | 33.5 Ų | 33.5 | 55% | 0.547 | 20% | 0.199 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -84.4 | -20.3 | -176.4 | -65 | -63.9 | -6 | 0 | 0 | 113.6 | P261 I262 V263 | Q259-P261 VanDerWaalsContact C-CD 3.45Å; Q259-I262 WeakPolarHBondContact O-CB 3.46Å; Q259-I262 PolarHBondContact O-N 3.3Å; Q259-V263 PolarHBondContact O-N 2.93Å |
| 260 | T | 95.1 | Very high | 94.2 | Very high | 55 Ų | 55 | 33.9 Ų | 33.9 | 34% | 0.337 | 20% | 0.2 | S | C | . | . | H | α-helix | trans | -53.7 | -42.3 | -176.8 | -37.9 | 0 | 0 | 0 | 0 | 114.3 | G257 I262 Y264 | G257-T260 PolarHBondContact O-OG1 3.48Å; T260-I262 VanDerWaalsContact C-N 3.35Å; T260-Y264 PolarHBondContact O-N 2.78Å; T260-Y264 VanDerWaalsContact O-N 3.11Å |
| 261 | P | 95.2 | Very high | 94.1 | Very high | 0 Ų | 0 | 37.6 Ų | 37.6 | 0% | 0 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -67.5 | -33.8 | 177.3 | -17.4 | 31.6 | 0 | 0 | 0 | 112.6 | L243 Y253 G258 Q259 Y264 F265 F282 | L243-P261 HydrophobicContact CD2-CB 4.06Å; L243-P261 HydrophobicContact CD2-CG 3.74Å; Y253-P261 HydrophobicContact CD1-CB 4.38Å; Y253-P261 HydrophobicContact CD1-CG 4.45Å; Y253-P261 HydrophobicContact CE1-CB 4.02Å; Y253-P261 HydrophobicContact CE1-CG 3.71Å; Y253-P261 HydrophobicContact CE2-CB 4.23Å; Y253-P261 HydrophobicContact CE2-CG 4.46Å; G258-P261 WeakPolarHBondContact O-CD 3.34Å; Q259-P261 VanDerWaalsContact C-CD 3.45Å; P261-Y264 WeakPolarHBondContact O-CB 3.38Å; P261-Y264 PolarHBondContact O-N 2.91Å; P261-F265 WeakPolarHBondContact O-CD2 3.49Å; P261-F265 PolarHBondContact O-N 2.9Å; P261-F282 HydrophobicContact CB-CE1 4.24Å; P261-F282 HydrophobicContact CB-CE2 4Å; P261-F282 HydrophobicContact CB-CZ 3.59Å |
| 262 | I | 94.4 | Very high | 93.9 | Very high | 9 Ų | 9 | 39.2 Ų | 39.2 | 5% | 0.046 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -63.1 | -51.9 | 178.2 | -52.8 | -170.3 | 0 | 0 | 0 | 109.8 | Q259 T260 Y264 F265 E266 I272 P278 F282 | Q259-I262 WeakPolarHBondContact O-CB 3.46Å; Q259-I262 PolarHBondContact O-N 3.3Å; T260-I262 VanDerWaalsContact C-N 3.35Å; I262-Y264 PolarHBondContact O-N 3.19Å; I262-F265 PolarHBondContact O-N 2.93Å; I262-E266 HydrophobicContact CG2-CG 4.47Å; I262-E266 WeakPolarHBondContact O-CG 3.28Å; I262-E266 PolarHBondContact O-N 3.44Å; I262-I272 HydrophobicContact CD1-CD1 4.22Å; I262-I272 HydrophobicContact CG2-CB 4.3Å; I262-I272 HydrophobicContact CG2-CG2 3.67Å; I262-P278 HydrophobicContact CD1-CB 3.77Å; I262-P278 HydrophobicContact CD1-CG 3.62Å; I262-P278 HydrophobicContact CG1-CB 4.2Å; I262-F282 HydrophobicContact CG1-CE1 4.27Å; I262-F282 HydrophobicContact CG1-CZ 3.92Å |
| 263 | V | 94.3 | Very high | 93.5 | Very high | 71 Ų | 71 | 45.3 Ų | 45.3 | 43% | 0.43 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -58.1 | -35 | 175.9 | 178.9 | 0 | 0 | 0 | 0 | 111.5 | Q259 N267 | Q259-V263 PolarHBondContact O-N 2.93Å; V263-N267 PolarHBondContact O-N 3.39Å; V263-N267 VanDerWaalsContact O-N 3.1Å; V263-N267 PolarHBondContact O-ND2 2.97Å |
| 264 | Y | 95.6 | Very high | 92.8 | Very high | 17 Ų | 17 | 48.3 Ų | 48.3 | 7% | 0.067 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -63.8 | -45.5 | 174.7 | 167.9 | -96.8 | 0 | 0 | 0 | 112.2 | I252 Y253 T260 P261 I262 N267 C268 W326 L331 | I252-Y264 PolarHBondContact O-OH 2.8Å; Y253-Y264 AromaticContact CD2-CD1 3.53Å; Y253-Y264 HydrophobicContact CD2-CD1 3.53Å; Y253-Y264 HydrophobicContact CD2-CD2 4.27Å; Y253-Y264 AromaticContact CD2-CE1 3.98Å; Y253-Y264 HydrophobicContact CD2-CE1 3.98Å; Y253-Y264 AromaticContact CD2-CG 3.67Å; Y253-Y264 HydrophobicContact CD2-CG 3.67Å; Y253-Y264 HydrophobicContact CE2-CD1 4.25Å; Y253-Y264 AromaticContact CE2-CG 4Å; Y253-Y264 HydrophobicContact CE2-CG 4Å; Y253-Y264 HydrophobicContact CG-CD1 4.38Å; T260-Y264 PolarHBondContact O-N 2.78Å; T260-Y264 VanDerWaalsContact O-N 3.11Å; P261-Y264 WeakPolarHBondContact O-CB 3.38Å; P261-Y264 PolarHBondContact O-N 2.91Å; I262-Y264 PolarHBondContact O-N 3.19Å; Y264-N267 PolarHBondContact O-N 3.35Å; Y264-C268 PolarHBondContact O-N 2.86Å; Y264-C268 PolarHBondContact O-SG 2.91Å; Y264-W326 HydrophobicContact CE2-CE3 4.19Å; Y264-W326 WeakPolarHBondContact OH-CA 3.25Å; Y264-W326 WeakPolarHBondContact OH-CB 3.34Å; Y264-W326 PolarHBondContact OH-N 2.92Å; Y264-W326 VanDerWaalsContact OH-N 3.09Å; Y264-L331 HydrophobicContact CD2-CD1 4.41Å |
| 265 | F | 95 | Very high | 92.2 | Very high | 0 Ų | 0 | 58 Ų | 58 | 0% | 0 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -70.8 | -33.5 | 177.9 | -79.2 | -75.6 | 0 | 0 | 0 | 112.8 | I245 I252 P261 I262 N267 C268 G269 Y270 F281 F282 I285 L322 | I245-F265 HydrophobicContact CD1-CE2 3.68Å; I245-F265 HydrophobicContact CD1-CZ 4.02Å; I252-F265 HydrophobicContact CG2-CE1 4.18Å; I252-F265 HydrophobicContact CG2-CZ 3.98Å; P261-F265 WeakPolarHBondContact O-CD2 3.49Å; P261-F265 PolarHBondContact O-N 2.9Å; I262-F265 PolarHBondContact O-N 2.93Å; F265-N267 VanDerWaalsContact C-N 3.33Å; F265-N267 PolarHBondContact O-N 3.07Å; F265-C268 CarbonylContact O-C 3.26Å; F265-C268 WeakPolarHBondContact O-CA 3.41Å; F265-C268 WeakPolarHBondContact O-CB 3.3Å; F265-C268 PolarHBondContact O-N 3.36Å; F265-G269 PolarHBondContact O-N 3.48Å; F265-Y270 CarbonylContact C-O 3.54Å; F265-Y270 VanDerWaalsContact C-O 3.29Å; F265-Y270 HydrophobicContact CD1-CD2 4.5Å; F265-Y270 PolarHBondContact O-N 3.13Å; F265-F281 HydrophobicContact CB-CE1 4.07Å; F265-F281 HydrophobicContact CB-CZ 4.45Å; F265-F282 AromaticContact CD2-CD1 3.38Å; F265-F282 HydrophobicContact CD2-CD1 3.38Å; F265-F282 AromaticContact CD2-CE1 3.45Å; F265-F282 HydrophobicContact CD2-CE1 3.45Å; F265-F282 VanDerWaalsContact CD2-CE1 3.45Å; F265-F282 HydrophobicContact CD2-CG 4.37Å; F265-F282 HydrophobicContact CD2-CZ 4.48Å; F265-F282 HydrophobicContact CE2-CB 4.47Å; F265-F282 AromaticContact CE2-CD1 3.41Å; F265-F282 HydrophobicContact CE2-CD1 3.41Å; F265-F282 VanDerWaalsContact CE2-CD1 3.41Å; F265-F282 AromaticContact CE2-CE1 3.83Å; F265-F282 HydrophobicContact CE2-CE1 3.83Å; F265-F282 AromaticContact CE2-CG 3.98Å; F265-F282 HydrophobicContact CE2-CG 3.98Å; F265-F282 HydrophobicContact CG-CD1 4.25Å; F265-F282 HydrophobicContact CG-CE1 4.42Å; F265-F282 HydrophobicContact CZ-CD1 4.3Å; F265-I285 HydrophobicContact CB-CD1 4.17Å; F265-I285 HydrophobicContact CD1-CD1 3.67Å; F265-I285 HydrophobicContact CD1-CG2 4.39Å; F265-I285 HydrophobicContact CE1-CD1 4.22Å; F265-I285 HydrophobicContact CE1-CG2 4.27Å; F265-I285 HydrophobicContact CG-CD1 3.96Å; F265-L322 HydrophobicContact CD1-CD2 4.12Å; F265-L322 HydrophobicContact CE1-CD1 4.3Å; F265-L322 HydrophobicContact CE1-CD2 3.88Å |
| 266 | E | 93.6 | Very high | 91.9 | Very high | 69 Ų | 69 | 61.3 Ų | 61.3 | 32% | 0.322 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -58.9 | -44.4 | 170.9 | -72.4 | 173.9 | 172.1 | 0 | 0 | 111.3 | I262 C268 G269 Y270 F271 | I262-E266 HydrophobicContact CG2-CG 4.47Å; I262-E266 WeakPolarHBondContact O-CG 3.28Å; I262-E266 PolarHBondContact O-N 3.44Å; E266-C268 PolarHBondContact O-N 2.92Å; E266-G269 WeakPolarHBondContact O-CA 3.2Å; E266-G269 PolarHBondContact O-N 3.28Å; E266-Y270 WeakPolarHBondContact CA-O 3.07Å; E266-Y270 PolarHBondContact N-O 3.14Å; E266-F271 HydrophobicContact CB-CD1 4.45Å; E266-F271 HydrophobicContact CB-CE1 4.43Å; E266-F271 HydrophobicContact CG-CD1 4.09Å |
| 267 | N | 92.5 | Very high | 91.7 | Very high | 133 Ų | 133 | 60 Ų | 60 | 71% | 0.711 | 34% | 0.336 | S | S | * | . | H | α-helix | trans | -65.7 | -19.8 | 173.8 | -72.4 | -52 | 0 | 0 | 0 | 113.5 | V263 Y264 F265 G269 | V263-N267 PolarHBondContact O-N 3.39Å; V263-N267 VanDerWaalsContact O-N 3.1Å; V263-N267 PolarHBondContact O-ND2 2.97Å; Y264-N267 PolarHBondContact O-N 3.35Å; F265-N267 VanDerWaalsContact C-N 3.33Å; F265-N267 PolarHBondContact O-N 3.07Å; N267-G269 VanDerWaalsContact C-N 3.3Å |
| 268 | C | 91.3 | Very high | 91.8 | Very high | 15 Ų | 15 | 60 Ų | 60 | 10% | 0.101 | 33% | 0.333 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -86.6 | -1.8 | 172.6 | -59.8 | 0 | 0 | 0 | 0 | 112.7 | Y264 F265 E266 Y270 L322 C325 | Y264-C268 PolarHBondContact O-N 2.86Å; Y264-C268 PolarHBondContact O-SG 2.91Å; F265-C268 CarbonylContact O-C 3.26Å; F265-C268 WeakPolarHBondContact O-CA 3.41Å; F265-C268 WeakPolarHBondContact O-CB 3.3Å; F265-C268 PolarHBondContact O-N 3.36Å; E266-C268 PolarHBondContact O-N 2.92Å; C268-Y270 HydrophobicContact CB-CD2 4.11Å; C268-Y270 HydrophobicContact CB-CE2 4.48Å; C268-L322 HydrophobicContact CB-CD2 4.31Å; C268-C325 WeakPolarHBondContact SG-CB 3.41Å |
| 269 | G | 91.3 | Very high | 91.9 | Very high | 48 Ų | 48 | 58.6 Ų | 58.6 | 50% | 0.495 | 32% | 0.32 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 95.1 | 11.4 | -179.9 | 0 | 0 | 0 | 0 | 0 | 115.3 | F265 E266 N267 | F265-G269 PolarHBondContact O-N 3.48Å; E266-G269 WeakPolarHBondContact O-CA 3.2Å; E266-G269 PolarHBondContact O-N 3.28Å; N267-G269 VanDerWaalsContact C-N 3.3Å |
| 270 | Y | 92.2 | Very high | 91.9 | Very high | 9 Ų | 9 | 55.7 Ų | 55.7 | 4% | 0.035 | 31% | 0.308 | C | S | . | . | trans | -109.6 | 120.2 | 178.7 | -61.6 | -82.2 | 0 | 0 | 0 | 110.6 | F265 E266 C268 I285 F290 D291 K321 L322 | F265-Y270 CarbonylContact C-O 3.54Å; F265-Y270 VanDerWaalsContact C-O 3.29Å; F265-Y270 HydrophobicContact CD1-CD2 4.5Å; F265-Y270 PolarHBondContact O-N 3.13Å; E266-Y270 WeakPolarHBondContact CA-O 3.07Å; E266-Y270 PolarHBondContact N-O 3.14Å; C268-Y270 HydrophobicContact CB-CD2 4.11Å; C268-Y270 HydrophobicContact CB-CE2 4.48Å; Y270-I285 HydrophobicContact CD1-CD1 4.27Å; Y270-I285 HydrophobicContact CD1-CG1 3.91Å; Y270-I285 HydrophobicContact CD1-CG2 4.09Å; Y270-I285 HydrophobicContact CD2-CD1 4.4Å; Y270-I285 HydrophobicContact CD2-CG2 4.1Å; Y270-I285 HydrophobicContact CE1-CG2 4.02Å; Y270-I285 HydrophobicContact CE2-CG2 4.03Å; Y270-I285 HydrophobicContact CG-CD1 3.85Å; Y270-I285 HydrophobicContact CG-CG1 4.01Å; Y270-I285 HydrophobicContact CG-CG2 4.13Å; Y270-F290 HydrophobicContact CD1-CB 4.15Å; Y270-F290 HydrophobicContact CD1-CD2 4.42Å; Y270-F290 HydrophobicContact CD1-CG 4.36Å; Y270-F290 HydrophobicContact CE1-CB 4.07Å; Y270-D291 WeakPolarHBondContact CE1-OD2 3.48Å; Y270-D291 PolarHBondContact OH-OD1 3.42Å; Y270-D291 PolarHBondContact OH-OD2 2.91Å; Y270-K321 PolarHBondContact OH-NZ 3.19Å; Y270-L322 HydrophobicContact CD2-CD2 4.33Å; Y270-L322 HydrophobicContact CE2-CD2 3.85Å | ||
| 271 | F | 91.7 | Very high | 91.9 | Very high | 144 Ų | 144 | 53.1 Ų | 53.1 | 63% | 0.632 | 29% | 0.292 | S | S | * | . | trans | -105.4 | 135 | -178.1 | -61 | -83 | 0 | 0 | 0 | 110.7 | E266 F281 | E266-F271 HydrophobicContact CB-CD1 4.45Å; E266-F271 HydrophobicContact CB-CE1 4.43Å; E266-F271 HydrophobicContact CG-CD1 4.09Å; F271-F281 VanDerWaalsContact O-CE2 3.31Å; F271-F281 WeakPolarHBondContact O-CE2 3.31Å | ||
| 272 | I | 90.5 | Very high | 91.9 | Very high | 44 Ų | 44 | 53.1 Ų | 53.1 | 23% | 0.226 | 29% | 0.292 | C | S | . | . | P | Polyproline II helix | trans | -81.5 | 131.4 | 176.6 | -166.8 | 169.4 | 0 | 0 | 0 | 110 | I262 N276 P278 F281 | I262-I272 HydrophobicContact CD1-CD1 4.22Å; I262-I272 HydrophobicContact CG2-CB 4.3Å; I262-I272 HydrophobicContact CG2-CG2 3.67Å; I272-N276 HydrophobicContact CD1-CB 4.48Å; I272-N276 HydrophobicContact CG1-CB 4.12Å; I272-P278 HydrophobicContact CD1-CB 4.36Å; I272-P278 HydrophobicContact CD1-CG 4.22Å; I272-F281 HydrophobicContact CB-CD1 4.06Å; I272-F281 HydrophobicContact CB-CD2 4.14Å; I272-F281 HydrophobicContact CB-CE1 3.99Å; I272-F281 HydrophobicContact CB-CE2 4.07Å; I272-F281 HydrophobicContact CB-CG 4.11Å; I272-F281 HydrophobicContact CB-CZ 3.97Å; I272-F281 HydrophobicContact CD1-CB 3.91Å; I272-F281 HydrophobicContact CD1-CD1 3.97Å; I272-F281 HydrophobicContact CD1-CG 3.95Å; I272-F281 HydrophobicContact CG1-CB 4.06Å; I272-F281 HydrophobicContact CG1-CD1 4.09Å; I272-F281 HydrophobicContact CG1-CD2 4.05Å; I272-F281 HydrophobicContact CG1-CE2 4.49Å; I272-F281 HydrophobicContact CG1-CG 3.81Å |
| 273 | E | 87.4 | Confident | 91.8 | Very high | 129 Ų | 129 | 52.8 Ų | 52.8 | 60% | 0.603 | 29% | 0.29 | S | S | * | . | P | Polyproline II helix | trans | -73.8 | 153.6 | 172.6 | -60.5 | -177 | 166.4 | 0 | 0 | 111.5 | H275 N276 | E273-H275 PolarHBondContact O-N 3.42Å; E273-N276 PolarHBondContact O-N 3.31Å |
| 274 | G | 82.7 | Confident | 91.6 | Very high | 63 Ų | 63 | 51.5 Ų | 51.5 | 65% | 0.649 | 28% | 0.281 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.8 | 135.7 | 177.1 | 0 | 0 | 0 | 0 | 0 | 111.8 | N276 | G274-N276 VanDerWaalsContact C-N 3.28Å; G274-N276 PolarHBondContact O-N 3.03Å |
| 275 | H | 82.4 | Confident | 91.4 | Very high | 205 Ų | 205 | 50.7 Ų | 50.7 | 95% | 0.949 | 28% | 0.277 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 73.7 | -3 | -179.1 | -49.4 | -75.4 | 0 | 0 | 0 | 117.1 | E273 | E273-H275 PolarHBondContact O-N 3.42Š|
| 276 | N | 90.1 | Very high | 91.2 | Very high | 70 Ų | 70 | 50.7 Ų | 50.7 | 37% | 0.374 | 28% | 0.277 | S | S | . | . | trans | -71.9 | 141.6 | 174.5 | -79.6 | -8.9 | 0 | 0 | 0 | 111.9 | I272 E273 G274 P278 | I272-N276 HydrophobicContact CD1-CB 4.48Å; I272-N276 HydrophobicContact CG1-CB 4.12Å; E273-N276 PolarHBondContact O-N 3.31Å; G274-N276 VanDerWaalsContact C-N 3.28Å; G274-N276 PolarHBondContact O-N 3.03Å; N276-P278 WeakPolarHBondContact O-CD 3.4Å | ||
| 277 | N | 93.2 | Very high | 90.9 | Very high | 26 Ų | 26 | 51.2 Ų | 51.2 | 14% | 0.139 | 28% | 0.28 | C | S | . | . | trans | -71.1 | 124.4 | 173.7 | 177.3 | 18 | 0 | 0 | 0 | 108.7 | P232 Y234 A279 D280 F281 | P232-N277 PolarHBondContact O-ND2 3.27Å; Y234-N277 PolarHBondContact N-OD1 2.99Å; N277-A279 PolarHBondContact O-N 2.85Å; N277-A279 VanDerWaalsContact O-N 3.11Å; N277-A279 PolarHBondContact OD1-N 2.97Å; N277-D280 HydrophobicContact CB-CB 4.23Å; N277-D280 VanDerWaalsContact CB-OD2 3.23Å; N277-D280 WeakPolarHBondContact CB-OD2 3.44Å; N277-D280 PolarHBondContact ND2-OD2 3.22Å; N277-D280 PolarHBondContact O-N 2.83Å; N277-F281 PolarHBondContact O-N 2.96Å | ||
| 278 | P | 94.9 | Very high | 90.5 | Very high | 7 Ų | 7 | 44.9 Ų | 44.9 | 5% | 0.045 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -54.5 | -35.5 | -179.1 | -27.9 | 35.3 | 0 | 0 | 0 | 113.6 | Y234 Y237 I262 I272 N276 F282 | Y234-P278 HydrophobicContact CD2-CG 4.17Å; Y234-P278 HydrophobicContact CE2-CG 4.27Å; Y237-P278 HydrophobicContact CD1-CB 4.3Å; Y237-P278 HydrophobicContact CD1-CG 4.32Å; Y237-P278 HydrophobicContact CE1-CB 3.88Å; Y237-P278 HydrophobicContact CE1-CG 4.09Å; Y237-P278 HydrophobicContact CE2-CB 4.49Å; I262-P278 HydrophobicContact CD1-CB 3.77Å; I262-P278 HydrophobicContact CD1-CG 3.62Å; I262-P278 HydrophobicContact CG1-CB 4.2Å; I272-P278 HydrophobicContact CD1-CB 4.36Å; I272-P278 HydrophobicContact CD1-CG 4.22Å; N276-P278 WeakPolarHBondContact O-CD 3.4Å; P278-F282 HydrophobicContact CB-CE2 4.14Å; P278-F282 HydrophobicContact CB-CZ 4.02Å; P278-F282 WeakPolarHBondContact O-CD1 3.5Å; P278-F282 WeakPolarHBondContact O-CD2 3.5Å; P278-F282 WeakPolarHBondContact O-CE2 3.39Å; P278-F282 WeakPolarHBondContact O-CG 3.49Å; P278-F282 PolarHBondContact O-N 2.91Å |
| 279 | A | 93.5 | Very high | 89.9 | Confident | 0 Ų | 0 | 49.5 Ų | 49.5 | 0% | 0 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -68.4 | -35.1 | 179.7 | 0 | 0 | 0 | 0 | 0 | 112.9 | P232 Y237 N277 M283 | P232-A279 HydrophobicContact CG-CB 3.65Å; Y237-A279 HydrophobicContact CD2-CB 4.27Å; N277-A279 PolarHBondContact O-N 2.85Å; N277-A279 VanDerWaalsContact O-N 3.11Å; N277-A279 PolarHBondContact OD1-N 2.97Å; A279-M283 VanDerWaalsContact O-CG 3.22Å; A279-M283 WeakPolarHBondContact O-CG 3.41Å; A279-M283 PolarHBondContact O-N 2.85Å |
| 280 | D | 93.9 | Very high | 89.1 | Confident | 56 Ų | 56 | 51.4 Ų | 51.4 | 30% | 0.299 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -73.8 | -45.4 | 176.7 | -61.2 | -35.2 | 0 | 0 | 0 | 109.1 | N277 F282 M283 D284 | N277-D280 HydrophobicContact CB-CB 4.23Å; N277-D280 VanDerWaalsContact CB-OD2 3.23Å; N277-D280 WeakPolarHBondContact CB-OD2 3.44Å; N277-D280 PolarHBondContact ND2-OD2 3.22Å; N277-D280 PolarHBondContact O-N 2.83Å; D280-F282 VanDerWaalsContact C-N 3.31Å; D280-F282 PolarHBondContact O-N 2.88Å; D280-M283 CarbonylContact O-C 3.58Å; D280-M283 WeakPolarHBondContact O-CA 3.32Å; D280-M283 WeakPolarHBondContact O-CB 3.16Å; D280-M283 PolarHBondContact O-N 3.27Å; D280-D284 PolarHBondContact O-N 2.84Å |
| 281 | F | 94.3 | Very high | 88.2 | Confident | 1 Ų | 1 | 51.9 Ų | 51.9 | 0% | 0.004 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -49.9 | -46.3 | 172.1 | 169.3 | -112.8 | 0 | 0 | 0 | 113.3 | F265 F271 I272 N277 M283 D284 I285 F290 | F265-F281 HydrophobicContact CB-CE1 4.07Å; F265-F281 HydrophobicContact CB-CZ 4.45Å; F271-F281 VanDerWaalsContact O-CE2 3.31Å; F271-F281 WeakPolarHBondContact O-CE2 3.31Å; I272-F281 HydrophobicContact CB-CD1 4.06Å; I272-F281 HydrophobicContact CB-CD2 4.14Å; I272-F281 HydrophobicContact CB-CE1 3.99Å; I272-F281 HydrophobicContact CB-CE2 4.07Å; I272-F281 HydrophobicContact CB-CG 4.11Å; I272-F281 HydrophobicContact CB-CZ 3.97Å; I272-F281 HydrophobicContact CD1-CB 3.91Å; I272-F281 HydrophobicContact CD1-CD1 3.97Å; I272-F281 HydrophobicContact CD1-CG 3.95Å; I272-F281 HydrophobicContact CG1-CB 4.06Å; I272-F281 HydrophobicContact CG1-CD1 4.09Å; I272-F281 HydrophobicContact CG1-CD2 4.05Å; I272-F281 HydrophobicContact CG1-CE2 4.49Å; I272-F281 HydrophobicContact CG1-CG 3.81Å; N277-F281 PolarHBondContact O-N 2.96Å; F281-M283 VanDerWaalsContact C-N 3.29Å; F281-M283 PolarHBondContact O-N 3.41Å; F281-D284 PolarHBondContact O-N 2.98Å; F281-I285 HydrophobicContact CD1-CD1 4.17Å; F281-I285 HydrophobicContact CD2-CD1 4.22Å; F281-I285 HydrophobicContact CD2-CG1 4.47Å; F281-I285 HydrophobicContact CE1-CD1 3.71Å; F281-I285 HydrophobicContact CE2-CD1 3.76Å; F281-I285 HydrophobicContact CE2-CG1 4.2Å; F281-I285 HydrophobicContact CG-CD1 4.42Å; F281-I285 HydrophobicContact CZ-CD1 3.52Å; F281-I285 HydrophobicContact CZ-CG1 4.43Å; F281-I285 VanDerWaalsContact O-CG1 3.31Å; F281-I285 WeakPolarHBondContact O-CG1 3.27Å; F281-I285 PolarHBondContact O-N 2.96Å; F281-I285 VanDerWaalsContact O-N 3.14Å; F281-F290 HydrophobicContact CD2-CE2 4.1Å; F281-F290 AromaticContact CD2-CZ 3.95Å; F281-F290 HydrophobicContact CD2-CZ 3.95Å; F281-F290 HydrophobicContact CE2-CE2 4.2Å; F281-F290 HydrophobicContact CE2-CZ 4.05Å |
| 282 | F | 94.5 | Very high | 86.9 | Confident | 0 Ų | 0 | 48.7 Ų | 48.7 | 0% | 0 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -63.9 | -35.5 | 176.2 | -56 | -33.1 | 0 | 0 | 0 | 112.5 | Y237 L243 I245 P261 I262 F265 P278 D280 L286 | Y237-F282 AromaticContact CE2-CE2 3.82Å; Y237-F282 HydrophobicContact CE2-CE2 3.82Å; Y237-F282 AromaticContact CZ-CE2 3.98Å; L243-F282 HydrophobicContact CD2-CD2 4.33Å; L243-F282 HydrophobicContact CD2-CE2 3.99Å; I245-F282 HydrophobicContact CD1-CB 4.26Å; I245-F282 HydrophobicContact CD1-CD2 3.9Å; I245-F282 HydrophobicContact CD1-CE2 4.49Å; I245-F282 HydrophobicContact CD1-CG 4.02Å; P261-F282 HydrophobicContact CB-CE1 4.24Å; P261-F282 HydrophobicContact CB-CE2 4Å; P261-F282 HydrophobicContact CB-CZ 3.59Å; I262-F282 HydrophobicContact CG1-CE1 4.27Å; I262-F282 HydrophobicContact CG1-CZ 3.92Å; F265-F282 AromaticContact CD2-CD1 3.38Å; F265-F282 HydrophobicContact CD2-CD1 3.38Å; F265-F282 AromaticContact CD2-CE1 3.45Å; F265-F282 HydrophobicContact CD2-CE1 3.45Å; F265-F282 VanDerWaalsContact CD2-CE1 3.45Å; F265-F282 HydrophobicContact CD2-CG 4.37Å; F265-F282 HydrophobicContact CD2-CZ 4.48Å; F265-F282 HydrophobicContact CE2-CB 4.47Å; F265-F282 AromaticContact CE2-CD1 3.41Å; F265-F282 HydrophobicContact CE2-CD1 3.41Å; F265-F282 VanDerWaalsContact CE2-CD1 3.41Å; F265-F282 AromaticContact CE2-CE1 3.83Å; F265-F282 HydrophobicContact CE2-CE1 3.83Å; F265-F282 AromaticContact CE2-CG 3.98Å; F265-F282 HydrophobicContact CE2-CG 3.98Å; F265-F282 HydrophobicContact CG-CD1 4.25Å; F265-F282 HydrophobicContact CG-CE1 4.42Å; F265-F282 HydrophobicContact CZ-CD1 4.3Å; P278-F282 HydrophobicContact CB-CE2 4.14Å; P278-F282 HydrophobicContact CB-CZ 4.02Å; P278-F282 WeakPolarHBondContact O-CD1 3.5Å; P278-F282 WeakPolarHBondContact O-CD2 3.5Å; P278-F282 WeakPolarHBondContact O-CE2 3.39Å; P278-F282 WeakPolarHBondContact O-CG 3.49Å; P278-F282 PolarHBondContact O-N 2.91Å; D280-F282 VanDerWaalsContact C-N 3.31Å; D280-F282 PolarHBondContact O-N 2.88Å; F282-L286 WeakPolarHBondContact O-CG 3.39Å; F282-L286 PolarHBondContact O-N 3.12Å; F282-L286 VanDerWaalsContact O-N 3.14Å |
| 283 | M | 92.2 | Very high | 85.3 | Confident | 2 Ų | 2 | 53.1 Ų | 53.1 | 1% | 0.01 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -71.6 | -41 | 179.2 | -64.4 | -70.9 | -84.2 | 0 | 0 | 110.8 | I65 Q231 A279 D280 F281 I285 L286 H287 | I65-M283 HydrophobicContact CG2-SD 3.85Å; Q231-M283 HydrophobicContact CG-CE 4.48Å; A279-M283 VanDerWaalsContact O-CG 3.22Å; A279-M283 WeakPolarHBondContact O-CG 3.41Å; A279-M283 PolarHBondContact O-N 2.85Å; D280-M283 CarbonylContact O-C 3.58Å; D280-M283 WeakPolarHBondContact O-CA 3.32Å; D280-M283 WeakPolarHBondContact O-CB 3.16Å; D280-M283 PolarHBondContact O-N 3.27Å; F281-M283 VanDerWaalsContact C-N 3.29Å; F281-M283 PolarHBondContact O-N 3.41Å; M283-I285 VanDerWaalsContact C-N 3.33Å; M283-I285 PolarHBondContact O-N 3.07Å; M283-L286 CarbonylContact O-C 3.56Å; M283-L286 WeakPolarHBondContact O-CA 3.49Å; M283-L286 PolarHBondContact O-N 2.74Å; M283-H287 WeakPolarHBondContact O-CB 3.39Å; M283-H287 PolarHBondContact O-CD2 2.94Å; M283-H287 PolarHBondContact O-N 2.74Å |
| 284 | D | 91.2 | Very high | 83.7 | Confident | 43 Ų | 43 | 54.1 Ų | 54.1 | 23% | 0.23 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -60.5 | -42.9 | 178.3 | -56.4 | -16.6 | 0 | 0 | 0 | 110.8 | D280 F281 L286 H287 G288 E289 F290 | D280-D284 PolarHBondContact O-N 2.84Å; F281-D284 PolarHBondContact O-N 2.98Å; D284-L286 PolarHBondContact O-N 2.82Å; D284-H287 PolarHBondContact O-N 2.97Å; D284-G288 PolarHBondContact O-N 3.41Å; D284-G288 VanDerWaalsContact O-N 3.07Å; D284-E289 HydrophobicContact CB-CB 4.44Å; D284-E289 PolarHBondContact O-N 2.92Å; D284-F290 HydrophobicContact CB-CD2 4.47Å; D284-F290 HydrophobicContact CB-CE2 3.77Å |
| 285 | I | 91.8 | Very high | 82.2 | Confident | 0 Ų | 0 | 52.9 Ų | 52.9 | 0% | 0 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -58.8 | -48.9 | 170.5 | -62.4 | 167.5 | 0 | 0 | 0 | 110.8 | F265 Y270 F281 M283 H287 G288 F290 V318 L322 | F265-I285 HydrophobicContact CB-CD1 4.17Å; F265-I285 HydrophobicContact CD1-CD1 3.67Å; F265-I285 HydrophobicContact CD1-CG2 4.39Å; F265-I285 HydrophobicContact CE1-CD1 4.22Å; F265-I285 HydrophobicContact CE1-CG2 4.27Å; F265-I285 HydrophobicContact CG-CD1 3.96Å; Y270-I285 HydrophobicContact CD1-CD1 4.27Å; Y270-I285 HydrophobicContact CD1-CG1 3.91Å; Y270-I285 HydrophobicContact CD1-CG2 4.09Å; Y270-I285 HydrophobicContact CD2-CD1 4.4Å; Y270-I285 HydrophobicContact CD2-CG2 4.1Å; Y270-I285 HydrophobicContact CE1-CG2 4.02Å; Y270-I285 HydrophobicContact CE2-CG2 4.03Å; Y270-I285 HydrophobicContact CG-CD1 3.85Å; Y270-I285 HydrophobicContact CG-CG1 4.01Å; Y270-I285 HydrophobicContact CG-CG2 4.13Å; F281-I285 HydrophobicContact CD1-CD1 4.17Å; F281-I285 HydrophobicContact CD2-CD1 4.22Å; F281-I285 HydrophobicContact CD2-CG1 4.47Å; F281-I285 HydrophobicContact CE1-CD1 3.71Å; F281-I285 HydrophobicContact CE2-CD1 3.76Å; F281-I285 HydrophobicContact CE2-CG1 4.2Å; F281-I285 HydrophobicContact CG-CD1 4.42Å; F281-I285 HydrophobicContact CZ-CD1 3.52Å; F281-I285 HydrophobicContact CZ-CG1 4.43Å; F281-I285 VanDerWaalsContact O-CG1 3.31Å; F281-I285 WeakPolarHBondContact O-CG1 3.27Å; F281-I285 PolarHBondContact O-N 2.96Å; F281-I285 VanDerWaalsContact O-N 3.14Å; M283-I285 VanDerWaalsContact C-N 3.33Å; M283-I285 PolarHBondContact O-N 3.07Å; I285-H287 PolarHBondContact O-N 2.8Å; I285-G288 WeakPolarHBondContact O-CA 3.22Å; I285-G288 PolarHBondContact O-N 3.23Å; I285-F290 HydrophobicContact CB-CD2 4.46Å; I285-F290 HydrophobicContact CG1-CD2 3.73Å; I285-F290 HydrophobicContact CG1-CE2 3.76Å; I285-V318 HydrophobicContact CG2-CG1 4.44Å; I285-V318 WeakPolarHBondContact O-CG1 3.41Å; I285-L322 HydrophobicContact CG2-CD1 3.9Å |
| 286 | L | 90.6 | Very high | 80.8 | Confident | 0 Ų | 0 | 44.9 Ų | 44.9 | 0% | 0 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -68.4 | -23.5 | -177.4 | -68.2 | 174.4 | 0 | 0 | 0 | 113.5 | P67 I245 I252 F282 M283 D284 G288 R315 L322 | P67-L286 HydrophobicContact CG-CB 3.88Å; P67-L286 HydrophobicContact CG-CD1 4.29Å; I245-L286 HydrophobicContact CG2-CD1 3.53Å; I252-L286 HydrophobicContact CG1-CD2 4.02Å; I252-L286 HydrophobicContact CG2-CD2 4.25Å; F282-L286 WeakPolarHBondContact O-CG 3.39Å; F282-L286 PolarHBondContact O-N 3.12Å; F282-L286 VanDerWaalsContact O-N 3.14Å; M283-L286 CarbonylContact O-C 3.56Å; M283-L286 WeakPolarHBondContact O-CA 3.49Å; M283-L286 PolarHBondContact O-N 2.74Å; D284-L286 PolarHBondContact O-N 2.82Å; L286-G288 VanDerWaalsContact C-N 3.32Å; L286-R315 VanDerWaalsContact O-CG 3.3Å; L286-R315 WeakPolarHBondContact O-CG 3.42Å; L286-L322 HydrophobicContact CD2-CD1 3.9Å |
| 287 | H | 87.1 | Confident | 78.8 | Confident | 81 Ų | 81 | 47 Ų | 47 | 38% | 0.375 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -80.3 | -16.8 | 171.4 | -79 | -66.9 | 0 | 0 | 0 | 112.4 | M283 D284 I285 E289 | M283-H287 WeakPolarHBondContact O-CB 3.39Å; M283-H287 PolarHBondContact O-CD2 2.94Å; M283-H287 PolarHBondContact O-N 2.74Å; D284-H287 PolarHBondContact O-N 2.97Å; I285-H287 PolarHBondContact O-N 2.8Å; H287-E289 HydrophobicContact CB-CG 4.2Å |
| 288 | G | 83.4 | Confident | 76.8 | Confident | 0 Ų | 0 | 53.3 Ų | 53.3 | 0% | 0 | 27% | 0.271 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 85.4 | 19 | 178.1 | 0 | 0 | 0 | 0 | 0 | 113.3 | D284 I285 L286 F290 D291 I292 | D284-G288 PolarHBondContact O-N 3.41Å; D284-G288 VanDerWaalsContact O-N 3.07Å; I285-G288 WeakPolarHBondContact O-CA 3.22Å; I285-G288 PolarHBondContact O-N 3.23Å; L286-G288 VanDerWaalsContact C-N 3.32Å; G288-F290 VanDerWaalsContact C-N 3.26Å; G288-F290 PolarHBondContact O-N 2.76Å; G288-D291 PolarHBondContact O-N 3.13Å; G288-D291 VanDerWaalsContact O-N 3.08Å; G288-I292 VanDerWaalsContact O-CG1 3.29Å; G288-I292 WeakPolarHBondContact O-CG1 3.35Å; G288-I292 PolarHBondContact O-N 2.93Å |
| 289 | E | 79.4 | Confident | 74.7 | Confident | 112 Ų | 112 | 56 Ų | 56 | 52% | 0.523 | 28% | 0.283 | S | S | . | . | G | 310 helix | trans | -61.9 | -33.2 | -175 | -65.7 | -169.7 | 172.3 | 0 | 0 | 112.8 | D284 H287 | D284-E289 HydrophobicContact CB-CB 4.44Å; D284-E289 PolarHBondContact O-N 2.92Å; H287-E289 HydrophobicContact CB-CG 4.2Å |
| 290 | F | 74.6 | Confident | 72.4 | Confident | 88 Ų | 88 | 64.1 Ų | 64.1 | 39% | 0.386 | 32% | 0.318 | S | S | . | . | G | 310 helix | trans | -75.5 | -20.2 | 176.8 | -65.7 | -80.7 | 0 | 0 | 0 | 114.2 | Y270 F281 D284 I285 G288 | Y270-F290 HydrophobicContact CD1-CB 4.15Å; Y270-F290 HydrophobicContact CD1-CD2 4.42Å; Y270-F290 HydrophobicContact CD1-CG 4.36Å; Y270-F290 HydrophobicContact CE1-CB 4.07Å; F281-F290 HydrophobicContact CD2-CE2 4.1Å; F281-F290 AromaticContact CD2-CZ 3.95Å; F281-F290 HydrophobicContact CD2-CZ 3.95Å; F281-F290 HydrophobicContact CE2-CE2 4.2Å; F281-F290 HydrophobicContact CE2-CZ 4.05Å; D284-F290 HydrophobicContact CB-CD2 4.47Å; D284-F290 HydrophobicContact CB-CE2 3.77Å; I285-F290 HydrophobicContact CB-CD2 4.46Å; I285-F290 HydrophobicContact CG1-CD2 3.73Å; I285-F290 HydrophobicContact CG1-CE2 3.76Å; G288-F290 VanDerWaalsContact C-N 3.26Å; G288-F290 PolarHBondContact O-N 2.76Å |
| 291 | D | 72.2 | Confident | 70.2 | Confident | 18 Ų | 18 | 68.5 Ų | 68.5 | 10% | 0.096 | 34% | 0.341 | C | S | . | . | G | 310 helix | trans | -105 | 5.3 | -173.7 | -64.3 | -73.2 | 0 | 0 | 0 | 112.4 | Y270 G288 D293 T295 V314 V318 K321 | Y270-D291 WeakPolarHBondContact CE1-OD2 3.48Å; Y270-D291 PolarHBondContact OH-OD1 3.42Å; Y270-D291 PolarHBondContact OH-OD2 2.91Å; G288-D291 PolarHBondContact O-N 3.13Å; G288-D291 VanDerWaalsContact O-N 3.08Å; D291-D293 PolarHBondContact O-N 3.11Å; D291-T295 PolarHBondContact O-N 2.88Å; D291-T295 PolarHBondContact O-OG1 3.23Å; D291-V314 HydrophobicContact CB-CG1 4.35Å; D291-V318 HydrophobicContact CB-CG2 3.85Å; D291-V318 WeakPolarHBondContact OD2-CG2 3.49Å; D291-K321 IonicContact OD1-NZ 2.73Å |
| 292 | I | 64.3 | Low | 68.3 | Low | 77 Ų | 77 | 73.6 Ų | 73.6 | 40% | 0.395 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -62 | -44 | -179.2 | -59.8 | -179 | 0 | 0 | 0 | 110.4 | G288 T295 V296 | G288-I292 VanDerWaalsContact O-CG1 3.29Å; G288-I292 WeakPolarHBondContact O-CG1 3.35Å; G288-I292 PolarHBondContact O-N 2.93Å; I292-T295 PolarHBondContact O-N 3.25Å; I292-T295 PolarHBondContact O-OG1 3.24Å; I292-V296 HydrophobicContact CG2-CG2 3.62Å; I292-V296 VanDerWaalsContact O-CB 3.26Å; I292-V296 WeakPolarHBondContact O-CB 3.49Å; I292-V296 WeakPolarHBondContact O-CG2 3.21Å; I292-V296 PolarHBondContact O-N 3.43Å |
| 293 | D | 57.8 | Low | 66.2 | Low | 138 Ų | 138 | 78.7 Ų | 78.7 | 74% | 0.738 | 41% | 0.41 | S | S | * | . | H | α-helix | trans | -70.9 | -34.6 | -174.6 | -76 | -23.4 | 0 | 0 | 0 | 113.4 | D291 T295 V297 | D291-D293 PolarHBondContact O-N 3.11Å; D293-T295 PolarHBondContact O-N 3.42Å; D293-V297 VanDerWaalsContact O-CG2 3.23Å; D293-V297 WeakPolarHBondContact O-CG2 3.49Å |
| 294 | E | 54.1 | Low | 64.8 | Low | 150 Ų | 150 | 82.6 Ų | 82.6 | 70% | 0.701 | 45% | 0.451 | S | S | * | . | H | α-helix | trans | -72.3 | -27.9 | 177.4 | -76.6 | -168.8 | 161.5 | 0 | 0 | 113 | ||
| 295 | T | 51.5 | Low | 63.2 | Low | 36 Ų | 36 | 83.9 Ų | 83.9 | 22% | 0.221 | 46% | 0.46 | C | S | . | . | H | α-helix | trans | -102.4 | -33.3 | -171.6 | 53.5 | 0 | 0 | 0 | 0 | 114 | D291 I292 D293 V297 Q298 Q299 V314 | D291-T295 PolarHBondContact O-N 2.88Å; D291-T295 PolarHBondContact O-OG1 3.23Å; I292-T295 PolarHBondContact O-N 3.25Å; I292-T295 PolarHBondContact O-OG1 3.24Å; D293-T295 PolarHBondContact O-N 3.42Å; T295-V297 PolarHBondContact O-N 3.43Å; T295-Q298 PolarHBondContact O-N 2.96Å; T295-Q299 PolarHBondContact O-N 3Å; T295-V314 WeakPolarHBondContact OG1-CG2 3.11Å |
| 296 | V | 51.9 | Low | 62 | Low | 38 Ų | 38 | 86.8 Ų | 86.8 | 23% | 0.23 | 48% | 0.48 | C | S | . | . | H | α-helix | trans | -64.3 | -29.1 | 175.1 | 171.5 | 0 | 0 | 0 | 0 | 111.4 | I292 Q298 K300 V310 | I292-V296 HydrophobicContact CG2-CG2 3.62Å; I292-V296 VanDerWaalsContact O-CB 3.26Å; I292-V296 WeakPolarHBondContact O-CB 3.49Å; I292-V296 WeakPolarHBondContact O-CG2 3.21Å; I292-V296 PolarHBondContact O-N 3.43Å; V296-Q298 VanDerWaalsContact C-N 3.26Å; V296-Q298 PolarHBondContact O-N 3.26Å; V296-K300 HydrophobicContact CG1-CD 3.98Å; V296-K300 HydrophobicContact CG1-CG 4.14Å; V296-K300 PolarHBondContact O-N 3.27Å; V296-V310 HydrophobicContact CG2-CG1 4.43Å |
| 297 | V | 49.4 | Very low | 60.9 | Low | 114 Ų | 114 | 94.6 Ų | 94.6 | 69% | 0.691 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -65.3 | -28 | 173.8 | 175.4 | 0 | 0 | 0 | 0 | 112.1 | D293 T295 | D293-V297 VanDerWaalsContact O-CG2 3.23Å; D293-V297 WeakPolarHBondContact O-CG2 3.49Å; T295-V297 PolarHBondContact O-N 3.43Å |
| 298 | Q | 51.3 | Low | 59.9 | Low | 158 Ų | 158 | 98.9 Ų | 98.9 | 74% | 0.738 | 54% | 0.535 | S | S | * | . | H | α-helix | trans | -88.4 | -29.4 | 179.4 | -67.9 | -171 | -3.2 | 0 | 0 | 114 | T295 V296 | T295-Q298 PolarHBondContact O-N 2.96Å; V296-Q298 VanDerWaalsContact C-N 3.26Å; V296-Q298 PolarHBondContact O-N 3.26Å |
| 299 | Q | 50.1 | Low | 59.3 | Low | 63 Ų | 63 | 103 Ų | 103 | 29% | 0.294 | 56% | 0.557 | S | S | . | * | H | α-helix | trans | -102.2 | -12.7 | -172.7 | -75.7 | -170.6 | -9.1 | 0 | 0 | 116 | T295 N301 I302 | T295-Q299 PolarHBondContact O-N 3Å; Q299-N301 PolarHBondContact O-N 3.16Å; Q299-I302 PolarHBondContact O-N 3.46Å |
| 300 | K | 45.9 | Very low | 58.9 | Low | 171 Ų | 171 | 98.9 Ų | 98.9 | 74% | 0.743 | 54% | 0.539 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.5 | -11.6 | 173.9 | -96.9 | -178.6 | 175.9 | 175 | 0 | 114.6 | V296 | V296-K300 HydrophobicContact CG1-CD 3.98Å; V296-K300 HydrophobicContact CG1-CG 4.14Å; V296-K300 PolarHBondContact O-N 3.27Å |
| 301 | N | 46.5 | Very low | 58.7 | Low | 148 Ų | 148 | 98.3 Ų | 98.3 | 79% | 0.791 | 55% | 0.545 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85.7 | 3.1 | 179 | -70.1 | -21.6 | 0 | 0 | 0 | 114.9 | Q299 | Q299-N301 PolarHBondContact O-N 3.16Š|
| 302 | I | 55.3 | Low | 58.9 | Low | 108 Ų | 108 | 103.4 Ų | 103.4 | 55% | 0.554 | 57% | 0.566 | S | S | * | * | S | Bend | trans | -112.3 | 101 | 179.3 | -54.2 | 174.9 | 0 | 0 | 0 | 109.9 | Q299 G304 T305 | Q299-I302 PolarHBondContact O-N 3.46Å; I302-G304 PolarHBondContact O-N 3.31Å; I302-T305 PolarHBondContact O-OG1 3.32Å |
| 303 | A | 49.6 | Very low | 59.5 | Low | 107 Ų | 107 | 102.4 Ų | 102.4 | 88% | 0.884 | 56% | 0.564 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -60.5 | 125.2 | 178.3 | 0 | 0 | 0 | 0 | 0 | 111.6 | ||
| 304 | G | 62.2 | Low | 60.6 | Low | 85 Ų | 85 | 96.2 Ų | 96.2 | 88% | 0.876 | 53% | 0.531 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 106.4 | 3.3 | 173.8 | 0 | 0 | 0 | 0 | 0 | 116.7 | I302 | I302-G304 PolarHBondContact O-N 3.31Š|
| 305 | T | 59.2 | Low | 61.8 | Low | 70 Ų | 70 | 92.4 Ų | 92.4 | 43% | 0.429 | 51% | 0.51 | S | S | . | . | trans | -80 | 126.6 | 174.1 | 24.9 | 0 | 0 | 0 | 0 | 111.5 | I302 | I302-T305 PolarHBondContact O-OG1 3.32Š| ||
| 306 | S | 64.9 | Low | 63.4 | Low | 60 Ų | 60 | 93.9 Ų | 93.9 | 42% | 0.42 | 52% | 0.515 | S | S | . | . | trans | -69 | 140 | 173.8 | 175.8 | 0 | 0 | 0 | 0 | 110.1 | K308 D309 V310 | S306-K308 PolarHBondContact O-N 3.46Å; S306-D309 WeakPolarHBondContact O-CB 3.3Å; S306-D309 PolarHBondContact O-N 2.98Å; S306-V310 PolarHBondContact O-N 3.4Å | ||
| 307 | E | 67.8 | Low | 65 | Low | 164 Ų | 164 | 95.5 Ų | 95.5 | 77% | 0.766 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -52.6 | -31.1 | 176.4 | -167.9 | 175 | -166.7 | 0 | 0 | 112.5 | V310 C311 | E307-V310 PolarHBondContact O-N 3.49Å; E307-C311 PolarHBondContact O-N 2.98Å; E307-C311 VanDerWaalsContact O-N 3.1Å; E307-C311 PolarHBondContact O-SG 3.39Å |
| 308 | K | 66.7 | Low | 66.9 | Low | 172 Ų | 172 | 90.3 Ų | 90.3 | 75% | 0.748 | 49% | 0.494 | S | S | * | . | H | α-helix | trans | -65.5 | -36.4 | 173.9 | -72.2 | -176.2 | 178 | 175.5 | 0 | 113.4 | S306 K312 | S306-K308 PolarHBondContact O-N 3.46Å; K308-K312 WeakPolarHBondContact O-CB 3.41Å; K308-K312 PolarHBondContact O-N 3.44Å; K308-K312 VanDerWaalsContact O-N 3.09Å |
| 309 | D | 71.1 | Confident | 68.6 | Low | 86 Ų | 86 | 83 Ų | 83 | 46% | 0.46 | 46% | 0.459 | S | S | . | . | H | α-helix | trans | -73.3 | -36.5 | -179.9 | -66 | -36.7 | 0 | 0 | 0 | 111 | S306 K312 T313 | S306-D309 WeakPolarHBondContact O-CB 3.3Å; S306-D309 PolarHBondContact O-N 2.98Å; D309-K312 PolarHBondContact O-N 3.49Å; D309-T313 WeakPolarHBondContact O-CB 3.47Å; D309-T313 PolarHBondContact O-N 2.95Å; D309-T313 PolarHBondContact O-OG1 2.78Å |
| 310 | V | 70.5 | Confident | 70.6 | Confident | 25 Ų | 25 | 88 Ų | 88 | 15% | 0.152 | 48% | 0.476 | C | S | . | . | H | α-helix | trans | -61.3 | -54 | 172.8 | -179.1 | 0 | 0 | 0 | 0 | 109.9 | V296 S306 E307 K312 T313 V314 | V296-V310 HydrophobicContact CG2-CG1 4.43Å; S306-V310 PolarHBondContact O-N 3.4Å; E307-V310 PolarHBondContact O-N 3.49Å; V310-K312 VanDerWaalsContact C-N 3.26Å; V310-K312 PolarHBondContact O-N 3.49Å; V310-T313 WeakPolarHBondContact O-CB 3.38Å; V310-T313 PolarHBondContact O-N 3.45Å; V310-V314 HydrophobicContact CG1-CG2 4.45Å; V310-V314 WeakPolarHBondContact O-CG2 3.29Å; V310-V314 PolarHBondContact O-N 3.23Å |
| 311 | C | 70.6 | Confident | 72.7 | Confident | 77 Ų | 77 | 84.2 Ų | 84.2 | 52% | 0.52 | 46% | 0.459 | S | S | . | . | H | α-helix | trans | -56.5 | -39.8 | 178.9 | -68.6 | 0 | 0 | 0 | 0 | 112.7 | E307 R315 | E307-C311 PolarHBondContact O-N 2.98Å; E307-C311 VanDerWaalsContact O-N 3.1Å; E307-C311 PolarHBondContact O-SG 3.39Å; C311-R315 WeakPolarHBondContact O-CB 3.26Å; C311-R315 PolarHBondContact O-N 2.78Å |
| 312 | K | 76.1 | Confident | 75 | Confident | 124 Ų | 124 | 77.1 Ų | 77.1 | 54% | 0.539 | 42% | 0.421 | S | S | . | . | H | α-helix | trans | -64.1 | -43.2 | 176.3 | -173.6 | -176.5 | 174.7 | -168.9 | 0 | 111.7 | K308 D309 V310 R315 E316 | K308-K312 WeakPolarHBondContact O-CB 3.41Å; K308-K312 PolarHBondContact O-N 3.44Å; K308-K312 VanDerWaalsContact O-N 3.09Å; D309-K312 PolarHBondContact O-N 3.49Å; V310-K312 VanDerWaalsContact C-N 3.26Å; V310-K312 PolarHBondContact O-N 3.49Å; K312-R315 PolarHBondContact O-N 2.88Å; K312-E316 WeakPolarHBondContact CE-OE1 3.23Å; K312-E316 WeakPolarHBondContact O-CG 3.19Å; K312-E316 PolarHBondContact O-N 3.47Å |
| 313 | T | 77.7 | Confident | 76.8 | Confident | 56 Ų | 56 | 73.3 Ų | 73.3 | 34% | 0.344 | 40% | 0.402 | S | S | . | . | H | α-helix | trans | -65 | -42.8 | 179.6 | -54.8 | 0 | 0 | 0 | 0 | 111.6 | D309 V310 E316 T317 | D309-T313 WeakPolarHBondContact O-CB 3.47Å; D309-T313 PolarHBondContact O-N 2.95Å; D309-T313 PolarHBondContact O-OG1 2.78Å; V310-T313 WeakPolarHBondContact O-CB 3.38Å; V310-T313 PolarHBondContact O-N 3.45Å; T313-E316 PolarHBondContact O-N 3.43Å; T313-T317 PolarHBondContact O-N 2.91Å; T313-T317 PolarHBondContact O-OG1 2.96Å |
| 314 | V | 79.7 | Confident | 78.8 | Confident | 9 Ų | 9 | 70.2 Ų | 70.2 | 6% | 0.055 | 38% | 0.376 | C | S | . | . | H | α-helix | trans | -58.1 | -52.4 | 173.3 | 177.6 | 0 | 0 | 0 | 0 | 109.7 | D291 T295 V310 E316 T317 V318 | D291-V314 HydrophobicContact CB-CG1 4.35Å; T295-V314 WeakPolarHBondContact OG1-CG2 3.11Å; V310-V314 HydrophobicContact CG1-CG2 4.45Å; V310-V314 WeakPolarHBondContact O-CG2 3.29Å; V310-V314 PolarHBondContact O-N 3.23Å; V314-E316 VanDerWaalsContact C-N 3.29Å; V314-E316 PolarHBondContact O-N 3.34Å; V314-T317 WeakPolarHBondContact O-CB 3.22Å; V314-T317 PolarHBondContact O-N 3.31Å; V314-V318 HydrophobicContact CG1-CG2 4.22Å; V314-V318 WeakPolarHBondContact O-CG2 3.43Å; V314-V318 PolarHBondContact O-N 3.26Å |
| 315 | R | 80.5 | Confident | 80.3 | Confident | 70 Ų | 70 | 67.9 Ų | 67.9 | 26% | 0.264 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -57 | -41.5 | -179.8 | -158.5 | 178.9 | 90 | 172.8 | 5.3 | 113 | N248 L286 C311 K312 C319 | N248-R315 PolarHBondContact OD1-NH2 3.25Å; L286-R315 VanDerWaalsContact O-CG 3.3Å; L286-R315 WeakPolarHBondContact O-CG 3.42Å; C311-R315 WeakPolarHBondContact O-CB 3.26Å; C311-R315 PolarHBondContact O-N 2.78Å; K312-R315 PolarHBondContact O-N 2.88Å; R315-C319 WeakPolarHBondContact O-CB 3.04Å; R315-C319 PolarHBondContact O-N 3.42Å; R315-C319 PolarHBondContact O-SG 2.9Å |
| 316 | E | 84 | Confident | 82 | Confident | 66 Ų | 66 | 64.9 Ų | 64.9 | 31% | 0.308 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -65.3 | -39.8 | 176.8 | -76 | -176.2 | -164.3 | 0 | 0 | 112.4 | K312 T313 V314 C319 R320 | K312-E316 WeakPolarHBondContact CE-OE1 3.23Å; K312-E316 WeakPolarHBondContact O-CG 3.19Å; K312-E316 PolarHBondContact O-N 3.47Å; T313-E316 PolarHBondContact O-N 3.43Å; V314-E316 VanDerWaalsContact C-N 3.29Å; V314-E316 PolarHBondContact O-N 3.34Å; E316-C319 PolarHBondContact O-N 2.91Å; E316-R320 WeakPolarHBondContact O-CG 3.21Å; E316-R320 PolarHBondContact O-N 2.89Å; E316-R320 IonicContact OE2-NH2 2.83Å |
| 317 | T | 86.2 | Confident | 83.4 | Confident | 73 Ų | 73 | 66.5 Ų | 66.5 | 45% | 0.448 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -66.7 | -47.7 | 179.2 | -53.6 | 0 | 0 | 0 | 0 | 111 | T313 V314 C319 R320 K321 | T313-T317 PolarHBondContact O-N 2.91Å; T313-T317 PolarHBondContact O-OG1 2.96Å; V314-T317 WeakPolarHBondContact O-CB 3.22Å; V314-T317 PolarHBondContact O-N 3.31Å; T317-C319 VanDerWaalsContact C-N 3.35Å; T317-C319 PolarHBondContact O-N 2.88Å; T317-R320 PolarHBondContact O-N 2.87Å; T317-K321 PolarHBondContact O-N 3.01Å |
| 318 | V | 88.1 | Confident | 84.6 | Confident | 5 Ų | 5 | 66.3 Ų | 66.3 | 3% | 0.03 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -60.2 | -45.2 | 175.9 | 177.7 | 0 | 0 | 0 | 0 | 110.9 | I285 D291 V314 R320 K321 L322 | I285-V318 HydrophobicContact CG2-CG1 4.44Å; I285-V318 WeakPolarHBondContact O-CG1 3.41Å; D291-V318 HydrophobicContact CB-CG2 3.85Å; D291-V318 WeakPolarHBondContact OD2-CG2 3.49Å; V314-V318 HydrophobicContact CG1-CG2 4.22Å; V314-V318 WeakPolarHBondContact O-CG2 3.43Å; V314-V318 PolarHBondContact O-N 3.26Å; V318-R320 PolarHBondContact O-N 3.33Å; V318-K321 PolarHBondContact O-N 3.44Å; V318-L322 HydrophobicContact CG1-CD1 3.82Å; V318-L322 HydrophobicContact CG1-CG 4.3Å; V318-L322 WeakPolarHBondContact O-CB 3.37Å; V318-L322 WeakPolarHBondContact O-CG 3.36Å; V318-L322 PolarHBondContact O-N 3.18Å |
| 319 | C | 88.7 | Confident | 85.9 | Confident | 3 Ų | 3 | 58.8 Ų | 58.8 | 2% | 0.02 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -56.2 | -49.1 | 175 | -74.3 | 0 | 0 | 0 | 0 | 111.6 | S247 R315 E316 T317 K321 L322 I323 | S247-C319 PolarHBondContact OG-SG 3.13Å; R315-C319 WeakPolarHBondContact O-CB 3.04Å; R315-C319 PolarHBondContact O-N 3.42Å; R315-C319 PolarHBondContact O-SG 2.9Å; E316-C319 PolarHBondContact O-N 2.91Å; T317-C319 VanDerWaalsContact C-N 3.35Å; T317-C319 PolarHBondContact O-N 2.88Å; C319-K321 PolarHBondContact O-N 3.14Å; C319-L322 PolarHBondContact O-N 2.87Å; C319-I323 HydrophobicContact CB-CD1 4.43Å; C319-I323 WeakPolarHBondContact O-CB 3.37Å; C319-I323 WeakPolarHBondContact O-CD1 3.06Å; C319-I323 WeakPolarHBondContact O-CG1 3.49Å; C319-I323 PolarHBondContact O-N 3.03Å |
| 320 | R | 90.4 | Very high | 87 | Confident | 169 Ų | 169 | 59.1 Ų | 59.1 | 64% | 0.638 | 30% | 0.302 | S | S | * | . | H | α-helix | trans | -60.2 | -43 | 179.8 | -72.8 | 178.2 | -160.7 | 168.2 | 9.6 | 112.1 | E316 T317 V318 I323 A324 | E316-R320 WeakPolarHBondContact O-CG 3.21Å; E316-R320 PolarHBondContact O-N 2.89Å; E316-R320 IonicContact OE2-NH2 2.83Å; T317-R320 PolarHBondContact O-N 2.87Å; V318-R320 PolarHBondContact O-N 3.33Å; R320-I323 PolarHBondContact O-N 3.44Å; R320-A324 PolarHBondContact O-N 2.75Å; R320-A324 VanDerWaalsContact O-N 3.07Å |
| 321 | K | 91.6 | Very high | 88.1 | Confident | 91 Ų | 91 | 59.4 Ų | 59.4 | 40% | 0.396 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -58 | -49.2 | 175.4 | -179.7 | -176.5 | 174.5 | -171 | 0 | 111 | Y270 D291 T317 V318 C319 A324 C325 | Y270-K321 PolarHBondContact OH-NZ 3.19Å; D291-K321 IonicContact OD1-NZ 2.73Å; T317-K321 PolarHBondContact O-N 3.01Å; V318-K321 PolarHBondContact O-N 3.44Å; C319-K321 PolarHBondContact O-N 3.14Å; K321-A324 WeakPolarHBondContact O-CB 3.29Å; K321-A324 PolarHBondContact O-N 2.84Å; K321-C325 PolarHBondContact O-N 2.74Å; K321-C325 PolarHBondContact O-SG 3.34Å |
| 322 | L | 93.5 | Very high | 89.2 | Confident | 0 Ų | 0 | 56.7 Ų | 56.7 | 0% | 0 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -67.8 | -36.5 | -179.2 | -69.5 | 173.8 | 0 | 0 | 0 | 113.2 | I252 F265 C268 Y270 I285 L286 V318 C319 A324 C325 W326 | I252-L322 HydrophobicContact CD1-CB 4.03Å; I252-L322 HydrophobicContact CG2-CB 3.95Å; I252-L322 HydrophobicContact CG2-CD1 4.09Å; I252-L322 HydrophobicContact CG2-CG 4.5Å; F265-L322 HydrophobicContact CD1-CD2 4.12Å; F265-L322 HydrophobicContact CE1-CD1 4.3Å; F265-L322 HydrophobicContact CE1-CD2 3.88Å; C268-L322 HydrophobicContact CB-CD2 4.31Å; Y270-L322 HydrophobicContact CD2-CD2 4.33Å; Y270-L322 HydrophobicContact CE2-CD2 3.85Å; I285-L322 HydrophobicContact CG2-CD1 3.9Å; L286-L322 HydrophobicContact CD2-CD1 3.9Å; V318-L322 HydrophobicContact CG1-CD1 3.82Å; V318-L322 HydrophobicContact CG1-CG 4.3Å; V318-L322 WeakPolarHBondContact O-CB 3.37Å; V318-L322 WeakPolarHBondContact O-CG 3.36Å; V318-L322 PolarHBondContact O-N 3.18Å; C319-L322 PolarHBondContact O-N 2.87Å; L322-A324 VanDerWaalsContact C-N 3.33Å; L322-C325 WeakPolarHBondContact O-CB 3.34Å; L322-C325 PolarHBondContact O-N 3.49Å; L322-W326 PolarHBondContact O-N 2.99Å |
| 323 | I | 92.7 | Very high | 90 | Very high | 28 Ų | 28 | 58.6 Ų | 58.6 | 14% | 0.144 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -62 | -43.2 | 173.6 | -68.4 | 153.7 | 0 | 0 | 0 | 110.5 | Q250 I252 C319 R320 C325 W326 L327 | Q250-I323 HydrophobicContact CB-CD1 4.03Å; Q250-I323 HydrophobicContact CB-CG1 4.19Å; Q250-I323 HydrophobicContact CG-CD1 4.4Å; I252-I323 HydrophobicContact CD1-CG1 3.81Å; C319-I323 HydrophobicContact CB-CD1 4.43Å; C319-I323 WeakPolarHBondContact O-CB 3.37Å; C319-I323 WeakPolarHBondContact O-CD1 3.06Å; C319-I323 WeakPolarHBondContact O-CG1 3.49Å; C319-I323 PolarHBondContact O-N 3.03Å; R320-I323 PolarHBondContact O-N 3.44Å; I323-C325 VanDerWaalsContact C-N 3.3Å; I323-C325 PolarHBondContact O-N 2.96Å; I323-W326 WeakPolarHBondContact O-CB 3.36Å; I323-W326 PolarHBondContact O-N 3.32Å; I323-L327 HydrophobicContact CG2-CD1 4.05Å; I323-L327 HydrophobicContact CG2-CG 4.48Å; I323-L327 WeakPolarHBondContact O-CG 3.16Å; I323-L327 PolarHBondContact O-N 2.99Å |
| 324 | A | 93.2 | Very high | 90.7 | Very high | 42 Ų | 42 | 60.5 Ų | 60.5 | 35% | 0.347 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -63.1 | -38.5 | 176.7 | 0 | 0 | 0 | 0 | 0 | 111.7 | R320 K321 L322 K328 | R320-A324 PolarHBondContact O-N 2.75Å; R320-A324 VanDerWaalsContact O-N 3.07Å; K321-A324 WeakPolarHBondContact O-CB 3.29Å; K321-A324 PolarHBondContact O-N 2.84Å; L322-A324 VanDerWaalsContact C-N 3.33Å; A324-K328 WeakPolarHBondContact O-CG 3.44Å; A324-K328 PolarHBondContact O-N 3.05Å |
| 325 | C | 93.8 | Very high | 91.3 | Very high | 36 Ų | 36 | 60.2 Ų | 60.2 | 24% | 0.243 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -63.8 | -44.6 | 173.5 | -63.5 | 0 | 0 | 0 | 0 | 111.5 | C268 K321 L322 I323 L327 K328 S329 | C268-C325 WeakPolarHBondContact SG-CB 3.41Å; K321-C325 PolarHBondContact O-N 2.74Å; K321-C325 PolarHBondContact O-SG 3.34Å; L322-C325 WeakPolarHBondContact O-CB 3.34Å; L322-C325 PolarHBondContact O-N 3.49Å; I323-C325 VanDerWaalsContact C-N 3.3Å; I323-C325 PolarHBondContact O-N 2.96Å; C325-L327 PolarHBondContact O-N 2.88Å; C325-K328 PolarHBondContact O-N 3.06Å; C325-S329 PolarHBondContact O-N 3.24Å |
| 326 | W | 94.9 | Very high | 91.8 | Very high | 6 Ų | 6 | 62.4 Ų | 62.4 | 2% | 0.023 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -58.4 | -49.8 | 178.5 | 177.2 | -120.9 | 0 | 0 | 0 | 111.8 | M251 I252 Y253 H254 Y264 L322 I323 K328 S329 L331 W332 | M251-W326 HydrophobicContact CG-CZ2 4.45Å; M251-W326 VanDerWaalsContact O-CD1 3.25Å; M251-W326 HydrophobicContact SD-CZ2 4.01Å; I252-W326 WeakPolarHBondContact O-CB 3.43Å; Y253-W326 HydrophobicContact CD2-CZ3 4.35Å; H254-W326 HydrophobicContact CB-CH2 3.82Å; H254-W326 HydrophobicContact CB-CZ2 3.74Å; H254-W326 VanDerWaalsContact N-CH2 3.26Å; H254-W326 WeakPolarHBondContact O-CH2 3.27Å; Y264-W326 HydrophobicContact CE2-CE3 4.19Å; Y264-W326 WeakPolarHBondContact OH-CA 3.25Å; Y264-W326 WeakPolarHBondContact OH-CB 3.34Å; Y264-W326 PolarHBondContact OH-N 2.92Å; Y264-W326 VanDerWaalsContact OH-N 3.09Å; L322-W326 PolarHBondContact O-N 2.99Å; I323-W326 WeakPolarHBondContact O-CB 3.36Å; I323-W326 PolarHBondContact O-N 3.32Å; W326-K328 PolarHBondContact O-N 2.94Å; W326-S329 VanDerWaalsContact O-CB 3.31Å; W326-S329 WeakPolarHBondContact O-CB 3.38Å; W326-S329 PolarHBondContact O-N 3.33Å; W326-S329 VanDerWaalsContact O-N 3.09Å; W326-S329 PolarHBondContact O-OG 2.85Å; W326-L331 HydrophobicContact CH2-CB 4.09Å; W326-L331 HydrophobicContact CZ3-CB 3.83Å; W326-L331 HydrophobicContact CZ3-CD1 4.44Å; W326-W332 HydrophobicContact CD2-CB 4.41Å; W326-W332 AromaticContact CE2-CE3 3.85Å; W326-W332 HydrophobicContact CH2-CB 4.3Å; W326-W332 HydrophobicContact CZ2-CB 4.09Å; W326-W332 HydrophobicContact CZ2-CD2 4.43Å; W326-W332 AromaticContact CZ2-CE3 3.69Å; W326-W332 HydrophobicContact CZ2-CE3 3.69Å; W326-W332 HydrophobicContact CZ2-CZ3 4.49Å; W326-W332 AromaticContact NE1-CE3 3.65Å; W326-W332 WeakPolarHBondContact O-CB 3.38Å |
| 327 | L | 93.3 | Very high | 92.1 | Very high | 94 Ų | 94 | 64.2 Ų | 64.2 | 49% | 0.492 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -65.5 | -25.3 | -179.5 | -68.7 | 173.4 | 0 | 0 | 0 | 113.4 | I323 C325 W332 | I323-L327 HydrophobicContact CG2-CD1 4.05Å; I323-L327 HydrophobicContact CG2-CG 4.48Å; I323-L327 WeakPolarHBondContact O-CG 3.16Å; I323-L327 PolarHBondContact O-N 2.99Å; C325-L327 PolarHBondContact O-N 2.88Å; L327-W332 HydrophobicContact CD2-CZ2 4.17Å; L327-W332 VanDerWaalsContact O-CD1 3.29Å |
| 328 | K | 93.7 | Very high | 92.2 | Very high | 160 Ų | 160 | 63.9 Ų | 63.9 | 70% | 0.696 | 31% | 0.307 | S | S | * | . | H | α-helix | trans | -87.3 | -15.9 | 175.4 | -70.8 | 176.4 | -177.8 | 179.9 | 0 | 113.2 | A324 C325 W326 | A324-K328 WeakPolarHBondContact O-CG 3.44Å; A324-K328 PolarHBondContact O-N 3.05Å; C325-K328 PolarHBondContact O-N 3.06Å; W326-K328 PolarHBondContact O-N 2.94Å |
| 329 | S | 93.8 | Very high | 92.3 | Very high | 15 Ų | 15 | 64.1 Ų | 64.1 | 11% | 0.105 | 31% | 0.308 | C | S | . | . | S | Bend | trans | -65.1 | 151.1 | -173 | 75.9 | 0 | 0 | 0 | 0 | 113.7 | C325 W326 L331 W332 R333 | C325-S329 PolarHBondContact O-N 3.24Å; W326-S329 VanDerWaalsContact O-CB 3.31Å; W326-S329 WeakPolarHBondContact O-CB 3.38Å; W326-S329 PolarHBondContact O-N 3.33Å; W326-S329 VanDerWaalsContact O-N 3.09Å; W326-S329 PolarHBondContact O-OG 2.85Å; S329-L331 VanDerWaalsContact C-N 3.27Å; S329-L331 PolarHBondContact O-N 3.47Å; S329-W332 PolarHBondContact O-N 2.84Å; S329-W332 WeakPolarHBondContact OG-CB 3.12Å; S329-W332 PolarHBondContact OG-N 3.48Å; S329-R333 PolarHBondContact O-N 3.38Å |
| 330 | T | 94.1 | Very high | 92.2 | Very high | 93 Ų | 93 | 66.5 Ų | 66.5 | 57% | 0.571 | 33% | 0.328 | S | S | * | . | H | α-helix | trans | -64.3 | -34.6 | 171.8 | 52.3 | 0 | 0 | 0 | 0 | 111.6 | R333 Q334 | T330-R333 PolarHBondContact O-N 3.45Å; T330-Q334 WeakPolarHBondContact O-CG 3.44Å; T330-Q334 PolarHBondContact O-N 2.99Å |
| 331 | L | 93.3 | Very high | 91.9 | Very high | 30 Ų | 30 | 64.3 Ų | 64.3 | 16% | 0.157 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -60.2 | -45.1 | 176.7 | -67.6 | 172.7 | 0 | 0 | 0 | 111.9 | Y253 Y264 W326 S329 Q334 C335 | Y253-L331 HydrophobicContact CD2-CD1 4.26Å; Y253-L331 HydrophobicContact CE2-CD1 3.48Å; Y253-L331 VanDerWaalsContact CE2-CD1 3.48Å; Y264-L331 HydrophobicContact CD2-CD1 4.41Å; W326-L331 HydrophobicContact CH2-CB 4.09Å; W326-L331 HydrophobicContact CZ3-CB 3.83Å; W326-L331 HydrophobicContact CZ3-CD1 4.44Å; S329-L331 VanDerWaalsContact C-N 3.27Å; S329-L331 PolarHBondContact O-N 3.47Å; L331-Q334 PolarHBondContact O-N 3.33Å; L331-C335 WeakPolarHBondContact O-CB 3.34Å; L331-C335 PolarHBondContact O-N 2.99Å |
| 332 | W | 93.8 | Very high | 91.3 | Very high | 21 Ų | 21 | 60.9 Ų | 60.9 | 8% | 0.08 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -63.7 | -41.5 | 176 | 173.4 | -119.9 | 0 | 0 | 0 | 112.5 | W326 L327 S329 Q334 C335 K336 | W326-W332 HydrophobicContact CD2-CB 4.41Å; W326-W332 AromaticContact CE2-CE3 3.85Å; W326-W332 HydrophobicContact CH2-CB 4.3Å; W326-W332 HydrophobicContact CZ2-CB 4.09Å; W326-W332 HydrophobicContact CZ2-CD2 4.43Å; W326-W332 AromaticContact CZ2-CE3 3.69Å; W326-W332 HydrophobicContact CZ2-CE3 3.69Å; W326-W332 HydrophobicContact CZ2-CZ3 4.49Å; W326-W332 AromaticContact NE1-CE3 3.65Å; W326-W332 WeakPolarHBondContact O-CB 3.38Å; L327-W332 HydrophobicContact CD2-CZ2 4.17Å; L327-W332 VanDerWaalsContact O-CD1 3.29Å; S329-W332 PolarHBondContact O-N 2.84Å; S329-W332 WeakPolarHBondContact OG-CB 3.12Å; S329-W332 PolarHBondContact OG-N 3.48Å; W332-Q334 PolarHBondContact O-N 3.28Å; W332-C335 HydrophobicContact CE3-CB 4.44Å; W332-C335 WeakPolarHBondContact O-CB 3.34Å; W332-C335 PolarHBondContact O-N 3.43Å; W332-K336 HydrophobicContact CD2-CG 4.38Å; W332-K336 HydrophobicContact CZ2-CD 4.23Å; W332-K336 HydrophobicContact CZ2-CG 4.08Å; W332-K336 PolarHBondContact O-N 3.14Å |
| 333 | R | 93.7 | Very high | 90.6 | Very high | 163 Ų | 163 | 61.9 Ų | 61.9 | 62% | 0.615 | 32% | 0.319 | S | S | * | . | H | α-helix | trans | -60.8 | -45 | 175.5 | -68.3 | -179.6 | -174.7 | 164.1 | 2.3 | 111.7 | S329 T330 K336 V337 | S329-R333 PolarHBondContact O-N 3.38Å; T330-R333 PolarHBondContact O-N 3.45Å; R333-K336 PolarHBondContact O-N 2.93Å; R333-V337 WeakPolarHBondContact O-CG2 3.39Å; R333-V337 PolarHBondContact O-N 3.29Å; R333-V337 VanDerWaalsContact O-N 3.09Å |
| 334 | Q | 91.1 | Very high | 89.9 | Confident | 97 Ų | 97 | 66.1 Ų | 66.1 | 45% | 0.453 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -61.6 | -44.3 | 175.7 | -70.8 | 173.4 | 6.1 | 0 | 0 | 111.6 | M1 T330 L331 W332 K336 V337 F338 | M1-Q334 HydrophobicContact CE-CG 4.05Å; T330-Q334 WeakPolarHBondContact O-CG 3.44Å; T330-Q334 PolarHBondContact O-N 2.99Å; L331-Q334 PolarHBondContact O-N 3.33Å; W332-Q334 PolarHBondContact O-N 3.28Å; Q334-K336 VanDerWaalsContact C-N 3.34Å; Q334-K336 PolarHBondContact O-N 2.93Å; Q334-V337 PolarHBondContact O-N 2.74Å; Q334-F338 PolarHBondContact O-N 3.33Å; Q334-F338 VanDerWaalsContact O-N 3.12Å |
| 335 | C | 91.8 | Very high | 88.7 | Confident | 3 Ų | 3 | 68.7 Ų | 68.7 | 2% | 0.02 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -59 | -44.9 | 175.8 | -171 | 0 | 0 | 0 | 0 | 111.4 | L331 W332 V337 F338 L339 | L331-C335 WeakPolarHBondContact O-CB 3.34Å; L331-C335 PolarHBondContact O-N 2.99Å; W332-C335 HydrophobicContact CE3-CB 4.44Å; W332-C335 WeakPolarHBondContact O-CB 3.34Å; W332-C335 PolarHBondContact O-N 3.43Å; C335-V337 PolarHBondContact O-N 2.93Å; C335-F338 PolarHBondContact O-N 2.84Å; C335-L339 WeakPolarHBondContact O-CB 3.21Å; C335-L339 WeakPolarHBondContact O-CG 3.36Å; C335-L339 PolarHBondContact O-N 2.66Å |
| 336 | K | 91.7 | Very high | 87.6 | Confident | 115 Ų | 115 | 68.2 Ų | 68.2 | 50% | 0.5 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -59 | -43.1 | 176.4 | -91.8 | -168.6 | 172 | -174.4 | 0 | 112.9 | W332 R333 Q334 L339 A340 | W332-K336 HydrophobicContact CD2-CG 4.38Å; W332-K336 HydrophobicContact CZ2-CD 4.23Å; W332-K336 HydrophobicContact CZ2-CG 4.08Å; W332-K336 PolarHBondContact O-N 3.14Å; R333-K336 PolarHBondContact O-N 2.93Å; Q334-K336 VanDerWaalsContact C-N 3.34Å; Q334-K336 PolarHBondContact O-N 2.93Å; K336-L339 PolarHBondContact O-N 3.05Å; K336-A340 WeakPolarHBondContact O-CB 3.21Å; K336-A340 PolarHBondContact O-N 3.28Å |
| 337 | V | 90.9 | Very high | 86.6 | Confident | 104 Ų | 104 | 71.6 Ų | 71.6 | 63% | 0.63 | 36% | 0.356 | S | S | * | . | H | α-helix | trans | -61.3 | -47.6 | 178.2 | 172.6 | 0 | 0 | 0 | 0 | 110.6 | R333 Q334 C335 L339 A340 E341 | R333-V337 WeakPolarHBondContact O-CG2 3.39Å; R333-V337 PolarHBondContact O-N 3.29Å; R333-V337 VanDerWaalsContact O-N 3.09Å; Q334-V337 PolarHBondContact O-N 2.74Å; C335-V337 PolarHBondContact O-N 2.93Å; V337-L339 VanDerWaalsContact C-N 3.35Å; V337-L339 PolarHBondContact O-N 3.23Å; V337-A340 WeakPolarHBondContact O-CB 3.47Å; V337-A340 PolarHBondContact O-N 2.8Å; V337-E341 PolarHBondContact O-N 3.27Å; V337-E341 VanDerWaalsContact O-N 3.14Å |
| 338 | F | 88.8 | Confident | 85.4 | Confident | 67 Ų | 67 | 71.3 Ų | 71.3 | 29% | 0.294 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -63.1 | -40.4 | 178.2 | -175.5 | -95.8 | 0 | 0 | 0 | 112.6 | T24 F56 Q334 C335 E341 C342 | T24-F338 HydrophobicContact CG2-CE1 4.25Å; T24-F338 HydrophobicContact CG2-CZ 4.25Å; F56-F338 HydrophobicContact CB-CD1 4Å; F56-F338 HydrophobicContact CB-CE1 3.84Å; F56-F338 AromaticContact CD1-CD1 3.55Å; F56-F338 HydrophobicContact CD1-CD1 3.55Å; F56-F338 HydrophobicContact CD1-CE1 4.08Å; F56-F338 HydrophobicContact CD1-CG 4.3Å; F56-F338 AromaticContact CD2-CD1 3.91Å; F56-F338 HydrophobicContact CD2-CD1 3.91Å; F56-F338 AromaticContact CD2-CE1 3.59Å; F56-F338 HydrophobicContact CD2-CE1 3.59Å; F56-F338 HydrophobicContact CD2-CZ 4.25Å; F56-F338 HydrophobicContact CE1-CB 4.39Å; F56-F338 AromaticContact CE1-CD1 3.92Å; F56-F338 HydrophobicContact CE1-CD1 3.92Å; F56-F338 HydrophobicContact CE1-CG 4.24Å; F56-F338 HydrophobicContact CE2-CD1 4.26Å; F56-F338 HydrophobicContact CE2-CE1 4.13Å; F56-F338 AromaticContact CG-CD1 3.54Å; F56-F338 HydrophobicContact CG-CD1 3.54Å; F56-F338 AromaticContact CG-CE1 3.56Å; F56-F338 HydrophobicContact CG-CE1 3.56Å; F56-F338 HydrophobicContact CZ-CD1 4.26Å; F56-F338 HydrophobicContact CZ-CG 4.47Å; Q334-F338 PolarHBondContact O-N 3.33Å; Q334-F338 VanDerWaalsContact O-N 3.12Å; C335-F338 PolarHBondContact O-N 2.84Å; F338-E341 PolarHBondContact O-N 3.48Å; F338-C342 VanDerWaalsContact CE1-SG 3.58Å; F338-C342 PolarHBondContact O-N 2.94Å; F338-C342 VanDerWaalsContact O-N 3.07Å; F338-C342 PolarHBondContact O-SG 3.31Å; F338-C342 VanDerWaalsContact O-SG 3.39Å |
| 339 | L | 89.9 | Confident | 84.1 | Confident | 10 Ų | 10 | 66.4 Ų | 66.4 | 5% | 0.052 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -65.8 | -39.5 | 176.4 | -70.7 | 171.9 | 0 | 0 | 0 | 111.9 | H28 G55 F56 C335 K336 V337 E341 C342 S343 | H28-L339 VanDerWaalsContact CE1-CD2 3.41Å; H28-L339 WeakPolarHBondContact CE1-CD2 3.5Å; H28-L339 PolarHBondContact CE1-O 2.94Å; G55-L339 WeakPolarHBondContact O-CD2 3.48Å; F56-L339 HydrophobicContact CB-CD2 4.41Å; C335-L339 WeakPolarHBondContact O-CB 3.21Å; C335-L339 WeakPolarHBondContact O-CG 3.36Å; C335-L339 PolarHBondContact O-N 2.66Å; K336-L339 PolarHBondContact O-N 3.05Å; V337-L339 VanDerWaalsContact C-N 3.35Å; V337-L339 PolarHBondContact O-N 3.23Å; L339-E341 VanDerWaalsContact C-N 3.34Å; L339-E341 PolarHBondContact O-N 2.95Å; L339-C342 PolarHBondContact O-N 3.05Å; L339-S343 WeakPolarHBondContact O-CB 3.31Å; L339-S343 PolarHBondContact O-N 2.87Å; L339-S343 PolarHBondContact O-OG 3.45Å |
| 340 | A | 86.6 | Confident | 83 | Confident | 52 Ų | 52 | 70.6 Ų | 70.6 | 43% | 0.43 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -58.9 | -46.4 | 175.6 | 0 | 0 | 0 | 0 | 0 | 111 | K336 V337 C342 S343 E344 | K336-A340 WeakPolarHBondContact O-CB 3.21Å; K336-A340 PolarHBondContact O-N 3.28Å; V337-A340 WeakPolarHBondContact O-CB 3.47Å; V337-A340 PolarHBondContact O-N 2.8Å; A340-C342 PolarHBondContact O-N 3.28Å; A340-S343 PolarHBondContact O-N 3.12Å; A340-S343 VanDerWaalsContact O-N 3.13Å; A340-S343 PolarHBondContact O-OG 3.49Å; A340-E344 PolarHBondContact O-N 2.82Å |
| 341 | E | 83.6 | Confident | 81.8 | Confident | 123 Ų | 123 | 71.1 Ų | 71.1 | 58% | 0.575 | 35% | 0.346 | S | S | * | . | H | α-helix | trans | -60 | -44 | 176.3 | -173.4 | 178 | -175.1 | 0 | 0 | 112.4 | V337 F338 L339 S343 E344 | V337-E341 PolarHBondContact O-N 3.27Å; V337-E341 VanDerWaalsContact O-N 3.14Å; F338-E341 PolarHBondContact O-N 3.48Å; L339-E341 VanDerWaalsContact C-N 3.34Å; L339-E341 PolarHBondContact O-N 2.95Å; E341-S343 VanDerWaalsContact C-N 3.33Å; E341-S343 PolarHBondContact O-N 2.74Å; E341-E344 PolarHBondContact O-N 3.02Å |
| 342 | C | 79.3 | Confident | 80.5 | Confident | 19 Ų | 19 | 77.2 Ų | 77.2 | 13% | 0.128 | 37% | 0.367 | C | S | . | . | H | α-helix | trans | -62.9 | -40 | 174.7 | -71.2 | 0 | 0 | 0 | 0 | 112.2 | F338 L339 A340 | F338-C342 VanDerWaalsContact CE1-SG 3.58Å; F338-C342 PolarHBondContact O-N 2.94Å; F338-C342 VanDerWaalsContact O-N 3.07Å; F338-C342 PolarHBondContact O-SG 3.31Å; F338-C342 VanDerWaalsContact O-SG 3.39Å; L339-C342 PolarHBondContact O-N 3.05Å; A340-C342 PolarHBondContact O-N 3.28Å |
| 343 | S | 79.3 | Confident | 79 | Confident | 21 Ų | 21 | 82.5 Ų | 82.5 | 15% | 0.147 | 39% | 0.387 | C | S | . | . | H | α-helix | trans | -72.8 | -32.8 | -177.3 | 77.9 | 0 | 0 | 0 | 0 | 112.5 | L339 A340 E341 N345 F346 H347 | L339-S343 WeakPolarHBondContact O-CB 3.31Å; L339-S343 PolarHBondContact O-N 2.87Å; L339-S343 PolarHBondContact O-OG 3.45Å; A340-S343 PolarHBondContact O-N 3.12Å; A340-S343 VanDerWaalsContact O-N 3.13Å; A340-S343 PolarHBondContact O-OG 3.49Å; E341-S343 VanDerWaalsContact C-N 3.33Å; E341-S343 PolarHBondContact O-N 2.74Å; S343-N345 PolarHBondContact O-N 2.86Å; S343-F346 CarbonylContact O-C 3.58Å; S343-F346 WeakPolarHBondContact O-CA 3.34Å; S343-F346 WeakPolarHBondContact O-CB 3.37Å; S343-F346 PolarHBondContact O-N 3.21Å; S343-F346 VanDerWaalsContact O-N 3.07Å; S343-H347 PolarHBondContact O-CD2 2.85Å; S343-H347 PolarHBondContact O-N 2.84Å |
| 344 | E | 76.8 | Confident | 77.9 | Confident | 118 Ų | 118 | 79 Ų | 79 | 55% | 0.551 | 38% | 0.38 | S | S | * | . | H | α-helix | trans | -64.2 | -44.6 | -177.2 | -171.5 | 159.9 | -166.7 | 0 | 0 | 111.2 | A340 E341 F346 H347 Q348 | A340-E344 PolarHBondContact O-N 2.82Å; E341-E344 PolarHBondContact O-N 3.02Å; E344-F346 VanDerWaalsContact C-N 3.27Å; E344-F346 PolarHBondContact O-N 3.37Å; E344-H347 PolarHBondContact O-N 2.76Å; E344-Q348 WeakPolarHBondContact O-CB 3.43Å; E344-Q348 WeakPolarHBondContact O-CG 3.31Å; E344-Q348 PolarHBondContact O-N 3.14Å |
| 345 | N | 67.9 | Low | 76.9 | Confident | 96 Ų | 96 | 81.6 Ų | 81.6 | 51% | 0.513 | 39% | 0.39 | S | S | . | . | H | α-helix | trans | -57.2 | -41 | 171.9 | -78.3 | -37.7 | 0 | 0 | 0 | 112 | S343 N349 | S343-N345 PolarHBondContact O-N 2.86Å; N345-N349 WeakPolarHBondContact O-CB 3.49Å; N345-N349 VanDerWaalsContact O-CG 3.32Å; N345-N349 PolarHBondContact O-N 2.87Å; N345-N349 VanDerWaalsContact O-N 3.11Å; N345-N349 PolarHBondContact O-ND2 2.89Å |
| 346 | F | 70.7 | Confident | 75.8 | Confident | 25 Ų | 25 | 87 Ų | 87 | 11% | 0.11 | 42% | 0.415 | C | S | . | . | H | α-helix | trans | -66.5 | -48.9 | 177.5 | 173 | -114.2 | 0 | 0 | 0 | 112.4 | Y91 L93 F98 S343 E344 N349 R350 | Y91-F346 HydrophobicContact CE2-CD1 4.3Å; L93-F346 HydrophobicContact CD1-CB 3.96Å; L93-F346 HydrophobicContact CD1-CG 4.3Å; L93-F346 HydrophobicContact CD2-CB 4.33Å; L93-F346 HydrophobicContact CD2-CD1 4.27Å; L93-F346 HydrophobicContact CD2-CD2 3.89Å; L93-F346 HydrophobicContact CD2-CE2 4.31Å; L93-F346 HydrophobicContact CD2-CG 3.88Å; F98-F346 HydrophobicContact CB-CD2 3.86Å; F98-F346 HydrophobicContact CB-CE2 3.22Å; F98-F346 HydrophobicContact CB-CZ 3.8Å; F98-F346 HydrophobicContact CG-CE2 4.1Å; F98-F346 HydrophobicContact CG-CZ 4.23Å; S343-F346 CarbonylContact O-C 3.58Å; S343-F346 WeakPolarHBondContact O-CA 3.34Å; S343-F346 WeakPolarHBondContact O-CB 3.37Å; S343-F346 PolarHBondContact O-N 3.21Å; S343-F346 VanDerWaalsContact O-N 3.07Å; E344-F346 VanDerWaalsContact C-N 3.27Å; E344-F346 PolarHBondContact O-N 3.37Å; F346-N349 PolarHBondContact O-N 3.26Å; F346-R350 WeakPolarHBondContact O-CB 3.31Å; F346-R350 PolarHBondContact O-N 3.39Å |
| 347 | H | 73.5 | Confident | 74.7 | Confident | 77 Ų | 77 | 88.6 Ų | 88.6 | 36% | 0.356 | 42% | 0.421 | S | S | . | . | H | α-helix | trans | -64.3 | -42 | -178.9 | -77.4 | -69.8 | 0 | 0 | 0 | 111.8 | S343 E344 R350 L351 | S343-H347 PolarHBondContact O-CD2 2.85Å; S343-H347 PolarHBondContact O-N 2.84Å; E344-H347 PolarHBondContact O-N 2.76Å; H347-R350 PolarHBondContact O-N 3.15Å; H347-L351 WeakPolarHBondContact O-CB 3.37Å; H347-L351 WeakPolarHBondContact O-CG 3.13Å; H347-L351 PolarHBondContact O-N 2.97Å |
| 348 | Q | 69.3 | Low | 73.6 | Confident | 88 Ų | 88 | 91.1 Ų | 91.1 | 41% | 0.411 | 42% | 0.424 | S | S | . | . | H | α-helix | trans | -61.9 | -44.9 | 174.6 | -72 | -162.3 | 16.7 | 0 | 0 | 111.9 | E344 R350 L351 R352 | E344-Q348 WeakPolarHBondContact O-CB 3.43Å; E344-Q348 WeakPolarHBondContact O-CG 3.31Å; E344-Q348 PolarHBondContact O-N 3.14Å; Q348-R350 PolarHBondContact O-N 3.09Å; Q348-L351 PolarHBondContact O-N 3.41Å; Q348-R352 WeakPolarHBondContact O-CG 3.47Å; Q348-R352 PolarHBondContact O-N 3.29Å |
| 349 | N | 66.5 | Low | 72.3 | Confident | 58 Ų | 58 | 94.4 Ų | 94.4 | 31% | 0.31 | 44% | 0.44 | S | S | . | . | H | α-helix | trans | -64.6 | -39.1 | 177.2 | -80.3 | -30.1 | 0 | 0 | 0 | 112.3 | N345 F346 R352 R353 | N345-N349 WeakPolarHBondContact O-CB 3.49Å; N345-N349 VanDerWaalsContact O-CG 3.32Å; N345-N349 PolarHBondContact O-N 2.87Å; N345-N349 VanDerWaalsContact O-N 3.11Å; N345-N349 PolarHBondContact O-ND2 2.89Å; F346-N349 PolarHBondContact O-N 3.26Å; N349-R352 PolarHBondContact O-N 2.76Å; N349-R353 WeakPolarHBondContact O-CG 3.3Å; N349-R353 PolarHBondContact O-N 3.25Å |
| 350 | R | 69.7 | Low | 70.8 | Confident | 103 Ų | 103 | 98 Ų | 98 | 39% | 0.389 | 46% | 0.46 | S | S | . | . | H | α-helix | trans | -63.6 | -45.1 | 174.6 | -176.1 | 175.8 | 174 | 175.5 | -2.1 | 111.4 | F346 H347 Q348 R353 L354 | F346-R350 WeakPolarHBondContact O-CB 3.31Å; F346-R350 PolarHBondContact O-N 3.39Å; H347-R350 PolarHBondContact O-N 3.15Å; Q348-R350 PolarHBondContact O-N 3.09Å; R350-R353 PolarHBondContact O-N 3.06Å; R350-L354 HydrophobicContact CG-CD1 4.15Å; R350-L354 WeakPolarHBondContact O-CB 3.49Å; R350-L354 WeakPolarHBondContact O-CG 3.26Å; R350-L354 PolarHBondContact O-N 3.41Å |
| 351 | L | 69.3 | Low | 69.4 | Low | 104 Ų | 104 | 102.4 Ų | 102.4 | 55% | 0.545 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -61.5 | -42.9 | 176.1 | -76.5 | 165.8 | 0 | 0 | 0 | 111.7 | H347 Q348 L354 K355 | H347-L351 WeakPolarHBondContact O-CB 3.37Å; H347-L351 WeakPolarHBondContact O-CG 3.13Å; H347-L351 PolarHBondContact O-N 2.97Å; Q348-L351 PolarHBondContact O-N 3.41Å; L351-L354 PolarHBondContact O-N 2.83Å; L351-K355 WeakPolarHBondContact O-CB 3.45Å; L351-K355 WeakPolarHBondContact O-CG 3.22Å; L351-K355 PolarHBondContact O-N 3.41Å |
| 352 | R | 65.8 | Low | 68.1 | Low | 158 Ų | 158 | 104.1 Ų | 104.1 | 60% | 0.596 | 48% | 0.477 | S | S | * | . | H | α-helix | trans | -60.1 | -47.2 | 174.1 | -74.8 | 178.5 | -177.3 | 173.7 | 1.7 | 111.7 | Q348 N349 L354 K355 Q356 | Q348-R352 WeakPolarHBondContact O-CG 3.47Å; Q348-R352 PolarHBondContact O-N 3.29Å; N349-R352 PolarHBondContact O-N 2.76Å; R352-L354 VanDerWaalsContact C-N 3.34Å; R352-L354 PolarHBondContact O-N 3.4Å; R352-K355 PolarHBondContact O-N 3.3Å; R352-Q356 WeakPolarHBondContact O-CB 3.42Å; R352-Q356 PolarHBondContact O-N 3.21Å |
| 353 | R | 63 | Low | 66.6 | Low | 132 Ų | 132 | 111.1 Ų | 111.1 | 50% | 0.498 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -62.2 | -39 | 177.1 | -72.5 | 178.9 | -172.7 | -176.8 | 5.3 | 112.5 | N349 R350 Q356 K357 | N349-R353 WeakPolarHBondContact O-CG 3.3Å; N349-R353 PolarHBondContact O-N 3.25Å; R350-R353 PolarHBondContact O-N 3.06Å; R353-Q356 PolarHBondContact O-N 3.5Å; R353-K357 WeakPolarHBondContact O-CB 3.41Å; R353-K357 PolarHBondContact O-N 2.94Å |
| 354 | L | 69.9 | Low | 65.1 | Low | 90 Ų | 90 | 114.7 Ų | 114.7 | 47% | 0.471 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -68.6 | -40.2 | 175.9 | -73.8 | 169.8 | 0 | 0 | 0 | 112 | R350 L351 R352 K358 | R350-L354 HydrophobicContact CG-CD1 4.15Å; R350-L354 WeakPolarHBondContact O-CB 3.49Å; R350-L354 WeakPolarHBondContact O-CG 3.26Å; R350-L354 PolarHBondContact O-N 3.41Å; L351-L354 PolarHBondContact O-N 2.83Å; R352-L354 VanDerWaalsContact C-N 3.34Å; R352-L354 PolarHBondContact O-N 3.4Å; L354-K358 WeakPolarHBondContact O-CB 3.42Å; L354-K358 PolarHBondContact O-N 3.46Å |
| 355 | K | 71.3 | Confident | 63.9 | Low | 151 Ų | 151 | 112.3 Ų | 112.3 | 66% | 0.657 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -61.6 | -43.9 | 172.7 | -77.6 | -177 | 178.9 | -177.3 | 0 | 111.3 | L351 R352 K358 Q359 | L351-K355 WeakPolarHBondContact O-CB 3.45Å; L351-K355 WeakPolarHBondContact O-CG 3.22Å; L351-K355 PolarHBondContact O-N 3.41Å; R352-K355 PolarHBondContact O-N 3.3Å; K355-K358 PolarHBondContact O-N 3.27Å; K355-Q359 PolarHBondContact O-N 3.27Å |
| 356 | Q | 68.2 | Low | 63.1 | Low | 116 Ų | 116 | 111.2 Ų | 111.2 | 54% | 0.542 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -67.1 | -44.5 | 178.9 | -154.6 | 162 | 20.2 | 0 | 0 | 111.5 | R352 R353 K358 Q359 D360 | R352-Q356 WeakPolarHBondContact O-CB 3.42Å; R352-Q356 PolarHBondContact O-N 3.21Å; R353-Q356 PolarHBondContact O-N 3.5Å; Q356-K358 VanDerWaalsContact C-N 3.32Å; Q356-K358 PolarHBondContact O-N 3.28Å; Q356-Q359 CarbonylContact O-C 3.58Å; Q356-Q359 WeakPolarHBondContact O-CB 3.19Å; Q356-Q359 PolarHBondContact O-N 2.81Å; Q356-Q359 VanDerWaalsContact O-N 3.11Å; Q356-D360 WeakPolarHBondContact O-CB 3.14Å; Q356-D360 VanDerWaalsContact O-CG 3.22Å; Q356-D360 PolarHBondContact O-N 3.39Å |
| 357 | K | 67.7 | Low | 62.2 | Low | 148 Ų | 148 | 112.5 Ų | 112.5 | 64% | 0.643 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -59 | -39.6 | 171.4 | -89.7 | -170.2 | 173.6 | -173.8 | 0 | 112.9 | R353 Q361 | R353-K357 WeakPolarHBondContact O-CB 3.41Å; R353-K357 PolarHBondContact O-N 2.94Å; K357-Q361 WeakPolarHBondContact O-CB 3.39Å; K357-Q361 PolarHBondContact O-N 2.87Å |
| 358 | K | 68.1 | Low | 61 | Low | 157 Ų | 157 | 112.8 Ų | 112.8 | 68% | 0.683 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -66 | -40.7 | 174.3 | -84.2 | -173.2 | 174.6 | -177.2 | 0 | 111.5 | L354 K355 Q356 Q361 K362 | L354-K358 WeakPolarHBondContact O-CB 3.42Å; L354-K358 PolarHBondContact O-N 3.46Å; K355-K358 PolarHBondContact O-N 3.27Å; Q356-K358 VanDerWaalsContact C-N 3.32Å; Q356-K358 PolarHBondContact O-N 3.28Å; K358-Q361 PolarHBondContact O-N 3.28Å; K358-K362 WeakPolarHBondContact O-CB 3.31Å; K358-K362 PolarHBondContact O-N 2.88Å |
| 359 | Q | 61.3 | Low | 60 | Low | 136 Ų | 136 | 117.4 Ų | 117.4 | 64% | 0.636 | 54% | 0.543 | S | S | * | . | H | α-helix | trans | -64.1 | -45 | 173.8 | -90.1 | 177.9 | -22.6 | 0 | 0 | 111.7 | K355 Q356 K362 Y363 | K355-Q359 PolarHBondContact O-N 3.27Å; Q356-Q359 CarbonylContact O-C 3.58Å; Q356-Q359 WeakPolarHBondContact O-CB 3.19Å; Q356-Q359 PolarHBondContact O-N 2.81Å; Q356-Q359 VanDerWaalsContact O-N 3.11Å; Q359-K362 CarbonylContact O-C 3.56Å; Q359-K362 PolarHBondContact O-N 3.19Å; Q359-Y363 WeakPolarHBondContact O-CB 3.49Å; Q359-Y363 PolarHBondContact O-N 2.65Å |
| 360 | D | 59.2 | Low | 59.3 | Low | 87 Ų | 87 | 121.6 Ų | 121.6 | 47% | 0.465 | 56% | 0.559 | S | S | . | * | H | α-helix | trans | -66 | -37.6 | 177.3 | -65.7 | -22.9 | 0 | 0 | 0 | 111.4 | Q356 Y363 N364 | Q356-D360 WeakPolarHBondContact O-CB 3.14Å; Q356-D360 VanDerWaalsContact O-CG 3.22Å; Q356-D360 PolarHBondContact O-N 3.39Å; D360-Y363 PolarHBondContact O-N 3.17Å; D360-N364 WeakPolarHBondContact O-CB 3.31Å; D360-N364 PolarHBondContact O-N 2.82Å; D360-N364 PolarHBondContact O-ND2 2.87Å |
| 361 | Q | 57.8 | Low | 58.5 | Low | 143 Ų | 143 | 119.9 Ų | 119.9 | 67% | 0.668 | 56% | 0.56 | S | S | * | * | H | α-helix | trans | -66.3 | -38.5 | 171.6 | -94.8 | -177 | -25.2 | 0 | 0 | 112.2 | K357 K358 S365 | K357-Q361 WeakPolarHBondContact O-CB 3.39Å; K357-Q361 PolarHBondContact O-N 2.87Å; K358-Q361 PolarHBondContact O-N 3.28Å; Q361-S365 WeakPolarHBondContact O-CB 3.44Å; Q361-S365 PolarHBondContact O-N 3.31Å; Q361-S365 PolarHBondContact O-OG 2.85Å |
| 362 | K | 55.4 | Low | 57.7 | Low | 159 Ų | 159 | 119 Ų | 119 | 69% | 0.691 | 56% | 0.559 | S | S | * | * | H | α-helix | trans | -68.6 | -40.6 | 175.8 | -151.6 | 177.7 | -172.4 | -174.9 | 0 | 110.4 | K358 Q359 S365 T366 | K358-K362 WeakPolarHBondContact O-CB 3.31Å; K358-K362 PolarHBondContact O-N 2.88Å; Q359-K362 CarbonylContact O-C 3.56Å; Q359-K362 PolarHBondContact O-N 3.19Å; K362-S365 PolarHBondContact O-OG 3.5Å; K362-T366 WeakPolarHBondContact O-CB 3.41Å; K362-T366 PolarHBondContact O-N 3.23Å; K362-T366 VanDerWaalsContact O-N 3.08Å; K362-T366 PolarHBondContact O-OG1 2.9Å |
| 363 | Y | 48.8 | Very low | 57.4 | Low | 167 Ų | 167 | 116.2 Ų | 116.2 | 66% | 0.655 | 56% | 0.555 | S | S | * | * | H | α-helix | trans | -67.6 | -44.2 | 176.3 | -161.9 | -92.9 | 0 | 0 | 0 | 111.1 | Q359 D360 T366 T367 | Q359-Y363 WeakPolarHBondContact O-CB 3.49Å; Q359-Y363 PolarHBondContact O-N 2.65Å; D360-Y363 PolarHBondContact O-N 3.17Å; Y363-T366 PolarHBondContact O-N 2.92Å; Y363-T367 WeakPolarHBondContact O-CB 3.11Å; Y363-T367 PolarHBondContact O-N 2.83Å; Y363-T367 PolarHBondContact O-OG1 3.36Å |
| 364 | N | 47.3 | Very low | 57 | Low | 96 Ų | 96 | 113.4 Ų | 113.4 | 51% | 0.513 | 55% | 0.552 | S | S | . | * | H | α-helix | trans | -66.2 | -42.9 | 175.9 | -74.8 | -18.1 | 0 | 0 | 0 | 111.4 | D360 T366 T367 T368 | D360-N364 WeakPolarHBondContact O-CB 3.31Å; D360-N364 PolarHBondContact O-N 2.82Å; D360-N364 PolarHBondContact O-ND2 2.87Å; N364-T366 VanDerWaalsContact C-N 3.26Å; N364-T366 PolarHBondContact O-N 3.45Å; N364-T367 CarbonylContact O-C 3.57Å; N364-T367 PolarHBondContact O-N 3.16Å; N364-T367 VanDerWaalsContact O-N 3.12Å; N364-T368 WeakPolarHBondContact O-CB 3.47Å; N364-T368 PolarHBondContact O-N 3.09Å; N364-T368 PolarHBondContact O-OG1 3.09Å |
| 365 | S | 51.1 | Low | 56.3 | Low | 68 Ų | 68 | 118.1 Ų | 118.1 | 48% | 0.476 | 56% | 0.564 | S | S | . | * | H | α-helix | trans | -62 | -36.5 | 175.6 | 69.7 | 0 | 0 | 0 | 0 | 112.2 | Q361 K362 R369 | Q361-S365 WeakPolarHBondContact O-CB 3.44Å; Q361-S365 PolarHBondContact O-N 3.31Å; Q361-S365 PolarHBondContact O-OG 2.85Å; K362-S365 PolarHBondContact O-OG 3.5Å; S365-R369 WeakPolarHBondContact O-CB 3.35Å; S365-R369 PolarHBondContact O-N 3.44Å |
| 366 | T | 52 | Low | 55.7 | Low | 72 Ų | 72 | 117.3 Ų | 117.3 | 44% | 0.442 | 56% | 0.562 | S | S | . | * | H | α-helix | trans | -69.8 | -37.9 | 174.5 | -40.6 | 0 | 0 | 0 | 0 | 111.6 | K362 Y363 N364 K370 | K362-T366 WeakPolarHBondContact O-CB 3.41Å; K362-T366 PolarHBondContact O-N 3.23Å; K362-T366 VanDerWaalsContact O-N 3.08Å; K362-T366 PolarHBondContact O-OG1 2.9Å; Y363-T366 PolarHBondContact O-N 2.92Å; N364-T366 VanDerWaalsContact C-N 3.26Å; N364-T366 PolarHBondContact O-N 3.45Å; T366-K370 PolarHBondContact O-N 3.19Å |
| 367 | T | 50.7 | Low | 55.4 | Low | 53 Ų | 53 | 116 Ų | 116 | 33% | 0.325 | 56% | 0.558 | S | S | . | * | H | α-helix | trans | -75.2 | -37.3 | 179.8 | -51.7 | 0 | 0 | 0 | 0 | 111.8 | Y363 N364 K370 T371 | Y363-T367 WeakPolarHBondContact O-CB 3.11Å; Y363-T367 PolarHBondContact O-N 2.83Å; Y363-T367 PolarHBondContact O-OG1 3.36Å; N364-T367 CarbonylContact O-C 3.57Å; N364-T367 PolarHBondContact O-N 3.16Å; N364-T367 VanDerWaalsContact O-N 3.12Å; T367-K370 PolarHBondContact O-N 3.25Å; T367-T371 PolarHBondContact O-N 2.97Å; T367-T371 PolarHBondContact O-OG1 3.24Å |
| 368 | T | 48.6 | Very low | 54.7 | Low | 82 Ų | 82 | 114.3 Ų | 114.3 | 50% | 0.503 | 55% | 0.552 | S | S | . | * | H | α-helix | trans | -67.1 | -38.6 | 172.4 | -43.2 | 0 | 0 | 0 | 0 | 110.2 | N364 T371 T372 | N364-T368 WeakPolarHBondContact O-CB 3.47Å; N364-T368 PolarHBondContact O-N 3.09Å; N364-T368 PolarHBondContact O-OG1 3.09Å; T368-T371 WeakPolarHBondContact CA-OG1 3.43Å; T368-T371 PolarHBondContact O-OG1 3.37Å; T368-T372 VanDerWaalsContact O-CB 3.25Å; T368-T372 WeakPolarHBondContact O-CB 3.33Å; T368-T372 PolarHBondContact O-N 3.27Å; T368-T372 PolarHBondContact O-OG1 2.9Å |
| 369 | R | 48.3 | Very low | 54.3 | Low | 186 Ų | 186 | 112.9 Ų | 112.9 | 70% | 0.702 | 55% | 0.548 | S | S | * | . | H | α-helix | trans | -59.5 | -49.9 | 169.1 | -104.3 | -177.5 | 171.8 | 178.2 | -3.7 | 111 | S365 T372 I373 | S365-R369 WeakPolarHBondContact O-CB 3.35Å; S365-R369 PolarHBondContact O-N 3.44Å; R369-T372 PolarHBondContact O-N 2.79Å; R369-I373 WeakPolarHBondContact O-CB 3.41Å; R369-I373 WeakPolarHBondContact O-CD1 3.34Å; R369-I373 WeakPolarHBondContact O-CG1 3.22Å; R369-I373 PolarHBondContact O-N 2.92Å |
| 370 | K | 52.1 | Low | 54 | Low | 145 Ų | 145 | 113.1 Ų | 113.1 | 63% | 0.63 | 55% | 0.547 | S | S | * | . | H | α-helix | trans | -61.1 | -48.4 | 177.8 | -80.5 | -175.2 | 175.1 | -176.4 | 0 | 112.4 | T366 T367 T372 I373 T374 | T366-K370 PolarHBondContact O-N 3.19Å; T367-K370 PolarHBondContact O-N 3.25Å; K370-T372 PolarHBondContact O-N 3.02Å; K370-I373 PolarHBondContact O-N 3.39Å; K370-T374 WeakPolarHBondContact O-CB 3.45Å; K370-T374 PolarHBondContact O-N 3.1Å; K370-T374 PolarHBondContact O-OG1 2.81Å |
| 371 | T | 52.2 | Low | 53.5 | Low | 68 Ų | 68 | 114.4 Ų | 114.4 | 42% | 0.417 | 55% | 0.55 | S | S | . | * | H | α-helix | trans | -68.6 | -32.7 | -179.7 | 34.8 | 0 | 0 | 0 | 0 | 113.2 | T367 T368 R375 | T367-T371 PolarHBondContact O-N 2.97Å; T367-T371 PolarHBondContact O-OG1 3.24Å; T368-T371 WeakPolarHBondContact CA-OG1 3.43Å; T368-T371 PolarHBondContact O-OG1 3.37Å; T371-R375 VanDerWaalsContact O-CB 3.31Å; T371-R375 WeakPolarHBondContact O-CB 3.33Å; T371-R375 WeakPolarHBondContact O-CG 3.46Å; T371-R375 PolarHBondContact O-N 3.02Å |
| 372 | T | 53.8 | Low | 53.1 | Low | 85 Ų | 85 | 111.8 Ų | 111.8 | 52% | 0.521 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -66.3 | -44.1 | 172.2 | -55 | 0 | 0 | 0 | 0 | 110.4 | T368 R369 K370 R375 H376 | T368-T372 VanDerWaalsContact O-CB 3.25Å; T368-T372 WeakPolarHBondContact O-CB 3.33Å; T368-T372 PolarHBondContact O-N 3.27Å; T368-T372 PolarHBondContact O-OG1 2.9Å; R369-T372 PolarHBondContact O-N 2.79Å; K370-T372 PolarHBondContact O-N 3.02Å; T372-R375 PolarHBondContact O-N 3.02Å; T372-H376 WeakPolarHBondContact O-CB 3.47Å; T372-H376 PolarHBondContact O-N 3.34Å |
| 373 | I | 58 | Low | 52.6 | Low | 100 Ų | 100 | 111.6 Ų | 111.6 | 51% | 0.513 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -63.8 | -45.6 | 175.2 | -67.9 | 166.2 | 0 | 0 | 0 | 110.9 | R369 K370 R375 H376 I377 | R369-I373 WeakPolarHBondContact O-CB 3.41Å; R369-I373 WeakPolarHBondContact O-CD1 3.34Å; R369-I373 WeakPolarHBondContact O-CG1 3.22Å; R369-I373 PolarHBondContact O-N 2.92Å; K370-I373 PolarHBondContact O-N 3.39Å; I373-R375 PolarHBondContact O-N 3.01Å; I373-H376 PolarHBondContact O-N 2.93Å; I373-H376 VanDerWaalsContact O-N 3.14Å; I373-I377 HydrophobicContact CG2-CD1 3.7Å; I373-I377 HydrophobicContact CG2-CG1 4.36Å; I373-I377 VanDerWaalsContact O-CG1 3.28Å; I373-I377 WeakPolarHBondContact O-CG1 3.45Å; I373-I377 PolarHBondContact O-N 3.28Å |
| 374 | T | 56.2 | Low | 52.4 | Low | 72 Ų | 72 | 111.1 Ų | 111.1 | 44% | 0.442 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -64.4 | -39 | 178.2 | -48.3 | 0 | 0 | 0 | 0 | 111.8 | K370 H376 I377 Q378 | K370-T374 WeakPolarHBondContact O-CB 3.45Å; K370-T374 PolarHBondContact O-N 3.1Å; K370-T374 PolarHBondContact O-OG1 2.81Å; T374-H376 VanDerWaalsContact C-N 3.35Å; T374-I377 PolarHBondContact O-N 3.3Å; T374-Q378 WeakPolarHBondContact O-CB 3.35Å; T374-Q378 PolarHBondContact O-N 3.25Å |
| 375 | R | 53.3 | Low | 51.9 | Low | 189 Ų | 189 | 113.7 Ų | 113.7 | 71% | 0.713 | 56% | 0.558 | S | S | * | * | H | α-helix | trans | -66.1 | -36.7 | 172.5 | -82 | -177.9 | 177.5 | 159.5 | -0.5 | 112 | T371 T372 I373 H379 | T371-R375 VanDerWaalsContact O-CB 3.31Å; T371-R375 WeakPolarHBondContact O-CB 3.33Å; T371-R375 WeakPolarHBondContact O-CG 3.46Å; T371-R375 PolarHBondContact O-N 3.02Å; T372-R375 PolarHBondContact O-N 3.02Å; I373-R375 PolarHBondContact O-N 3.01Å; R375-H379 WeakPolarHBondContact O-CB 3.48Å; R375-H379 PolarHBondContact O-N 2.75Å |
| 376 | H | 60.2 | Low | 51.3 | Low | 134 Ų | 134 | 119.6 Ų | 119.6 | 62% | 0.62 | 58% | 0.575 | S | S | * | * | H | α-helix | trans | -68.3 | -38.3 | 175.8 | -134.2 | 55.9 | 0 | 0 | 0 | 111.8 | T372 I373 T374 K380 | T372-H376 WeakPolarHBondContact O-CB 3.47Å; T372-H376 PolarHBondContact O-N 3.34Å; I373-H376 PolarHBondContact O-N 2.93Å; I373-H376 VanDerWaalsContact O-N 3.14Å; T374-H376 VanDerWaalsContact C-N 3.35Å; H376-K380 WeakPolarHBondContact O-CB 3.34Å; H376-K380 PolarHBondContact O-N 2.76Å |
| 377 | I | 61.8 | Low | 50.5 | Low | 89 Ų | 89 | 123.6 Ų | 123.6 | 46% | 0.456 | 59% | 0.589 | S | S | . | * | H | α-helix | trans | -67.6 | -46.6 | 174.1 | -67 | 167.8 | 0 | 0 | 0 | 110.6 | I373 T374 H379 K380 Q381 | I373-I377 HydrophobicContact CG2-CD1 3.7Å; I373-I377 HydrophobicContact CG2-CG1 4.36Å; I373-I377 VanDerWaalsContact O-CG1 3.28Å; I373-I377 WeakPolarHBondContact O-CG1 3.45Å; I373-I377 PolarHBondContact O-N 3.28Å; T374-I377 PolarHBondContact O-N 3.3Å; I377-H379 PolarHBondContact O-N 3.33Å; I377-K380 CarbonylContact O-C 3.6Å; I377-K380 PolarHBondContact O-N 3.05Å; I377-Q381 WeakPolarHBondContact O-CB 3.42Å; I377-Q381 PolarHBondContact O-N 2.83Å |
| 378 | Q | 52.5 | Low | 49.3 | Very low | 112 Ų | 112 | 124.8 Ų | 124.8 | 52% | 0.523 | 61% | 0.612 | S | S | . | * | H | α-helix | trans | -63.3 | -41.5 | 176.3 | -83.7 | -178.3 | -32.8 | 0 | 0 | 111.8 | T374 K380 Q381 T382 | T374-Q378 WeakPolarHBondContact O-CB 3.35Å; T374-Q378 PolarHBondContact O-N 3.25Å; Q378-K380 VanDerWaalsContact C-N 3.3Å; Q378-K380 PolarHBondContact O-N 3.39Å; Q378-Q381 PolarHBondContact O-N 3.36Å; Q378-T382 PolarHBondContact O-N 3.11Å; Q378-T382 PolarHBondContact O-OG1 3.18Å |
| 379 | H | 59.1 | Low | 48.3 | Very low | 127 Ų | 127 | 129.7 Ų | 129.7 | 59% | 0.588 | 63% | 0.626 | S | S | * | * | H | α-helix | trans | -66.7 | -32.5 | 176.9 | -163.5 | -56 | 0 | 0 | 0 | 111.8 | R375 I377 T382 K383 | R375-H379 WeakPolarHBondContact O-CB 3.48Å; R375-H379 PolarHBondContact O-N 2.75Å; I377-H379 PolarHBondContact O-N 3.33Å; H379-T382 WeakPolarHBondContact CA-OG1 3.28Å; H379-T382 PolarHBondContact O-OG1 2.86Å; H379-K383 WeakPolarHBondContact O-CB 3.3Å; H379-K383 PolarHBondContact O-N 3.29Å |
| 380 | K | 55.5 | Low | 47.1 | Very low | 141 Ų | 141 | 129.8 Ų | 129.8 | 61% | 0.613 | 64% | 0.635 | S | S | * | * | H | α-helix | trans | -71.9 | -40.2 | 170 | -86 | -169.4 | 173.9 | -175.4 | 0 | 112.3 | H376 I377 Q378 K383 F384 | H376-K380 WeakPolarHBondContact O-CB 3.34Å; H376-K380 PolarHBondContact O-N 2.76Å; I377-K380 CarbonylContact O-C 3.6Å; I377-K380 PolarHBondContact O-N 3.05Å; Q378-K380 VanDerWaalsContact C-N 3.3Å; Q378-K380 PolarHBondContact O-N 3.39Å; K380-K383 PolarHBondContact O-N 2.84Å; K380-F384 PolarHBondContact O-N 2.94Å |
| 381 | Q | 49.7 | Very low | 45.8 | Very low | 115 Ų | 115 | 131.7 Ų | 131.7 | 54% | 0.537 | 64% | 0.643 | S | S | . | * | H | α-helix | trans | -64.9 | -39.7 | 175.7 | -83.2 | 176.6 | -30 | 0 | 0 | 112.4 | I377 Q378 K383 F384 N385 | I377-Q381 WeakPolarHBondContact O-CB 3.42Å; I377-Q381 PolarHBondContact O-N 2.83Å; Q378-Q381 PolarHBondContact O-N 3.36Å; Q381-K383 VanDerWaalsContact C-N 3.28Å; Q381-K383 PolarHBondContact O-N 2.88Å; Q381-F384 PolarHBondContact O-N 3.35Å; Q381-N385 PolarHBondContact O-N 2.85Å |
| 382 | T | 48.1 | Very low | 44.4 | Very low | 88 Ų | 88 | 135.7 Ų | 135.7 | 54% | 0.54 | 66% | 0.662 | S | S | . | * | H | α-helix | trans | -71.1 | -23.5 | 174.2 | 48.7 | 0 | 0 | 0 | 0 | 113 | Q378 H379 | Q378-T382 PolarHBondContact O-N 3.11Å; Q378-T382 PolarHBondContact O-OG1 3.18Å; H379-T382 WeakPolarHBondContact CA-OG1 3.28Å; H379-T382 PolarHBondContact O-OG1 2.86Å |
| 383 | K | 45.9 | Very low | 42.9 | Very low | 155 Ų | 155 | 138 Ų | 138 | 67% | 0.674 | 68% | 0.68 | S | S | * | * | H | α-helix | trans | -78.2 | -32.6 | 171.7 | -134.1 | 178.8 | -177.1 | -176.2 | 0 | 111.6 | H379 K380 Q381 | H379-K383 WeakPolarHBondContact O-CB 3.3Å; H379-K383 PolarHBondContact O-N 3.29Å; K380-K383 PolarHBondContact O-N 2.84Å; Q381-K383 VanDerWaalsContact C-N 3.28Å; Q381-K383 PolarHBondContact O-N 2.88Å |
| 384 | F | 43.3 | Very low | 41.2 | Very low | 157 Ų | 157 | 142.2 Ų | 142.2 | 69% | 0.689 | 70% | 0.698 | S | S | * | * | H | α-helix | trans | -72.7 | -41 | 173.4 | -102.6 | -88.7 | 0 | 0 | 0 | 112.8 | K380 Q381 K386 Q387 | K380-F384 PolarHBondContact O-N 2.94Å; Q381-F384 PolarHBondContact O-N 3.35Å; F384-K386 PolarHBondContact O-N 2.71Å; F384-Q387 PolarHBondContact O-N 3.25Å |
| 385 | N | 38 | Very low | 39.7 | Very low | 149 Ų | 149 | 148.7 Ų | 148.7 | 80% | 0.797 | 72% | 0.72 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -71.9 | -6.5 | 178.3 | -82.2 | 0.6 | 0 | 0 | 0 | 114.7 | Q381 | Q381-N385 PolarHBondContact O-N 2.85Š|
| 386 | K | 38.7 | Very low | 38.4 | Very low | 192 Ų | 192 | 147.7 Ų | 147.7 | 84% | 0.835 | 73% | 0.727 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -95.5 | 0.5 | 172.7 | -84.3 | -171.7 | 174.6 | -174.6 | 0 | 114.1 | F384 | F384-K386 PolarHBondContact O-N 2.71Š|
| 387 | Q | 34 | Very low | 36.7 | Very low | 157 Ų | 157 | 149.7 Ų | 149.7 | 73% | 0.734 | 74% | 0.737 | S | S | * | * | S | Bend | trans | -110.3 | 92.7 | 169.3 | -72 | -175.3 | -15.7 | 0 | 0 | 108.4 | F384 K389 | F384-Q387 PolarHBondContact O-N 3.25Å; Q387-K389 PolarHBondContact O-N 2.87Å |
| 388 | G | 27.4 | Very low | 35.1 | Very low | 78 Ų | 78 | 152.2 Ų | 152.2 | 80% | 0.804 | 76% | 0.759 | S | S | * | * | trans | -62.6 | 105.9 | 172.8 | 0 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 389 | K | 26 | Very low | 33.8 | Very low | 184 Ų | 184 | 149.6 Ų | 149.6 | 80% | 0.8 | 76% | 0.762 | S | S | * | * | trans | -140.6 | 112.2 | 150.5 | -87.9 | -169.8 | 176.1 | -179.8 | 0 | 108.3 | Q387 | Q387-K389 PolarHBondContact O-N 2.87Š| ||
| 390 | Q | 23.7 | Very low | 32.5 | Very low | 189 Ų | 189 | 150.5 Ų | 150.5 | 88% | 0.883 | 77% | 0.772 | S | S | * | * | trans | -67.4 | 116.3 | 171.3 | -173.8 | 172.1 | 3.1 | 0 | 0 | 107.9 | ||||
| 391 | F | 25.3 | Very low | 31.3 | Very low | 184 Ų | 184 | 153.2 Ų | 153.2 | 81% | 0.807 | 78% | 0.779 | S | S | * | * | trans | -148.4 | 141.7 | 164.3 | -92.2 | -73.5 | 0 | 0 | 0 | 110.8 | ||||
| 392 | D | 22.9 | Very low | 30.5 | Very low | 152 Ų | 152 | 154.5 Ų | 154.5 | 81% | 0.813 | 79% | 0.789 | S | S | * | * | trans | -65.8 | 151.9 | -160.8 | -61.5 | -58.8 | 0 | 0 | 0 | 115.3 | ||||
| 393 | C | 21.9 | Very low | 29.9 | Very low | 134 Ų | 134 | 153.9 Ų | 153.9 | 91% | 0.905 | 79% | 0.788 | S | S | * | * | trans | -84.3 | 115.6 | 173.8 | -72.1 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 394 | E | 22.5 | Very low | 29.5 | Very low | 189 Ų | 189 | 150.8 Ų | 150.8 | 88% | 0.883 | 78% | 0.783 | S | S | * | * | trans | -128.9 | 141.3 | 159.1 | -126.3 | 177.8 | -171.5 | 0 | 0 | 110.9 | ||||
| 395 | F | 25.1 | Very low | 29.4 | Very low | 207 Ų | 207 | 147.7 Ų | 147.7 | 91% | 0.908 | 77% | 0.773 | S | S | * | * | trans | -57.7 | 128 | -173 | -97.1 | -105.5 | 0 | 0 | 0 | 114.1 | ||||
| 396 | I | 25.5 | Very low | 29.5 | Very low | 169 Ų | 169 | 145.3 Ų | 145.3 | 87% | 0.867 | 76% | 0.76 | S | S | * | * | trans | -142.3 | 135.4 | 156.5 | -58.2 | -177 | 0 | 0 | 0 | 111.6 | ||||
| 397 | Q | 24.9 | Very low | 29.7 | Very low | 176 Ų | 176 | 143.5 Ų | 143.5 | 82% | 0.822 | 75% | 0.752 | S | S | * | * | trans | -65.2 | 158 | -175.3 | -68.9 | -175.4 | -14.4 | 0 | 0 | 115.6 | G399 | Q397-G399 PolarHBondContact O-N 3.46Š| ||
| 398 | P | 27 | Very low | 30 | Very low | 141 Ų | 141 | 141.2 Ų | 141.2 | 92% | 0.916 | 74% | 0.741 | S | S | * | * | trans | -87.3 | 98.9 | -178.2 | 34.3 | -29.3 | 0 | 0 | 0 | 111.3 | ||||
| 399 | G | 26.5 | Very low | 31 | Very low | 58 Ų | 58 | 141.8 Ų | 141.8 | 60% | 0.598 | 73% | 0.725 | S | S | * | * | trans | -123.8 | 127.4 | 168.3 | 0 | 0 | 0 | 0 | 0 | 111.3 | Q397 | Q397-G399 PolarHBondContact O-N 3.46Š| ||
| 400 | N | 31 | Very low | 31.9 | Very low | 146 Ų | 146 | 139 Ų | 139 | 78% | 0.781 | 72% | 0.715 | S | S | * | * | trans | 71.3 | 45.3 | 161.2 | -67.4 | -16.2 | 0 | 0 | 0 | 120.4 | ||||
| 401 | Y | 29.8 | Very low | 32.9 | Very low | 197 Ų | 197 | 136 Ų | 136 | 77% | 0.773 | 70% | 0.698 | S | S | * | * | trans | -96.2 | -3.6 | 168.6 | -112.7 | -91.6 | 0 | 0 | 0 | 115.8 | I405 | Y401-I405 WeakPolarHBondContact O-CD1 3.23Š| ||
| 402 | L | 33.1 | Very low | 33.8 | Very low | 142 Ų | 142 | 134.3 Ų | 134.3 | 74% | 0.743 | 69% | 0.691 | S | S | * | * | H | α-helix | trans | -90.8 | -21.1 | -174.8 | -135 | 88.2 | 0 | 0 | 0 | 114.6 | N406 | L402-N406 PolarHBondContact O-ND2 3.38Å |
| 403 | S | 35.5 | Very low | 34.7 | Very low | 75 Ų | 75 | 131.5 Ų | 131.5 | 52% | 0.524 | 68% | 0.676 | S | S | . | * | H | α-helix | trans | -85.7 | -29.7 | -177 | 60.3 | 0 | 0 | 0 | 0 | 113.4 | K407 | S403-K407 PolarHBondContact O-N 2.88Å |
| 404 | T | 37.7 | Very low | 35.8 | Very low | 91 Ų | 91 | 132.1 Ų | 132.1 | 56% | 0.558 | 66% | 0.663 | S | S | * | * | H | α-helix | trans | -77.1 | -33.2 | 179 | -46.2 | 0 | 0 | 0 | 0 | 112.1 | K407 E408 | T404-K407 PolarHBondContact O-N 3.09Å; T404-E408 PolarHBondContact O-N 2.66Å |
| 405 | I | 41.1 | Very low | 36.6 | Very low | 92 Ų | 92 | 128.7 Ų | 128.7 | 47% | 0.472 | 65% | 0.651 | S | S | . | * | H | α-helix | trans | -68.2 | -37.7 | 175.9 | -66.4 | 176.4 | 0 | 0 | 0 | 110.9 | Y401 K407 E408 I409 | Y401-I405 WeakPolarHBondContact O-CD1 3.23Å; I405-K407 PolarHBondContact O-N 3.43Å; I405-E408 PolarHBondContact O-N 2.83Å; I405-I409 HydrophobicContact CG2-CD1 3.81Å; I405-I409 WeakPolarHBondContact O-CD1 3.43Å; I405-I409 VanDerWaalsContact O-CG1 3.28Å; I405-I409 WeakPolarHBondContact O-CG1 3.48Å; I405-I409 PolarHBondContact O-N 3.3Å; I405-I409 VanDerWaalsContact O-N 3.15Å |
| 406 | N | 39.6 | Very low | 37.3 | Very low | 98 Ų | 98 | 126.2 Ų | 126.2 | 52% | 0.524 | 64% | 0.635 | S | S | . | * | H | α-helix | trans | -68.9 | -31.9 | 177.9 | -76.5 | -18.3 | 0 | 0 | 0 | 113 | L402 E410 | L402-N406 PolarHBondContact O-ND2 3.38Å; N406-E410 PolarHBondContact O-N 3.17Å |
| 407 | K | 42.9 | Very low | 37.9 | Very low | 154 Ų | 154 | 121.2 Ų | 121.2 | 67% | 0.67 | 62% | 0.619 | S | S | * | * | H | α-helix | trans | -72.1 | -31.9 | 175.2 | -88.2 | -177.7 | 173.6 | 177.9 | 0 | 114 | S403 T404 I405 K411 | S403-K407 PolarHBondContact O-N 2.88Å; T404-K407 PolarHBondContact O-N 3.09Å; I405-K407 PolarHBondContact O-N 3.43Å; K407-K411 PolarHBondContact O-N 3.43Å |
| 408 | E | 41.7 | Very low | 38.5 | Very low | 109 Ų | 109 | 118 Ų | 118 | 51% | 0.509 | 61% | 0.607 | S | S | . | * | H | α-helix | trans | -79.8 | -29.9 | 177.7 | -78.4 | -68.3 | 135.3 | 0 | 0 | 112.5 | T404 I405 E410 K411 F412 | T404-E408 PolarHBondContact O-N 2.66Å; I405-E408 PolarHBondContact O-N 2.83Å; E408-E410 VanDerWaalsContact C-N 3.34Å; E408-K411 PolarHBondContact O-N 2.92Å; E408-K411 IonicContact OE1-NZ 3.39Å; E408-K411 PolarHBondContact OE1-NZ 3.14Å; E408-F412 PolarHBondContact O-N 2.87Å; E408-F412 VanDerWaalsContact O-N 3.13Å |
| 409 | I | 48.4 | Very low | 38.8 | Very low | 91 Ų | 91 | 115.3 Ų | 115.3 | 47% | 0.467 | 59% | 0.592 | S | S | . | * | H | α-helix | trans | -64.4 | -38.9 | 171.4 | -68.9 | 168 | 0 | 0 | 0 | 110.9 | I405 K411 F412 D413 | I405-I409 HydrophobicContact CG2-CD1 3.81Å; I405-I409 WeakPolarHBondContact O-CD1 3.43Å; I405-I409 VanDerWaalsContact O-CG1 3.28Å; I405-I409 WeakPolarHBondContact O-CG1 3.48Å; I405-I409 PolarHBondContact O-N 3.3Å; I405-I409 VanDerWaalsContact O-N 3.15Å; I409-K411 PolarHBondContact O-N 3.01Å; I409-F412 PolarHBondContact O-N 2.92Å; I409-D413 PolarHBondContact O-N 2.72Å; I409-D413 VanDerWaalsContact O-N 3.1Å |
| 410 | E | 43.5 | Very low | 39 | Very low | 125 Ų | 125 | 120.6 Ų | 120.6 | 58% | 0.584 | 59% | 0.593 | S | S | * | * | H | α-helix | trans | -66.9 | -32 | 175.8 | -119.3 | -176.6 | 169.7 | 0 | 0 | 113.5 | N406 E408 K414 | N406-E410 PolarHBondContact O-N 3.17Å; E408-E410 VanDerWaalsContact C-N 3.34Å; E410-K414 PolarHBondContact O-N 2.94Å |
| 411 | K | 46.2 | Very low | 39.1 | Very low | 125 Ų | 125 | 117.7 Ų | 117.7 | 54% | 0.543 | 59% | 0.585 | S | S | . | * | H | α-helix | trans | -69.7 | -38.1 | 173.3 | -102.1 | 179.2 | -179.7 | 174.4 | 0 | 112.2 | K407 E408 I409 K414 L415 | K407-K411 PolarHBondContact O-N 3.43Å; E408-K411 PolarHBondContact O-N 2.92Å; E408-K411 IonicContact OE1-NZ 3.39Å; E408-K411 PolarHBondContact OE1-NZ 3.14Å; I409-K411 PolarHBondContact O-N 3.01Å; K411-K414 PolarHBondContact O-N 2.96Å; K411-L415 PolarHBondContact O-N 3.27Å |
| 412 | F | 43.4 | Very low | 39 | Very low | 149 Ų | 149 | 115.2 Ų | 115.2 | 65% | 0.654 | 58% | 0.584 | S | S | * | * | H | α-helix | trans | -69.7 | -38.4 | 179 | -153.9 | -90.3 | 0 | 0 | 0 | 111.7 | E408 I409 K414 L415 W416 | E408-F412 PolarHBondContact O-N 2.87Å; E408-F412 VanDerWaalsContact O-N 3.13Å; I409-F412 PolarHBondContact O-N 2.92Å; F412-K414 VanDerWaalsContact C-N 3.34Å; F412-K414 PolarHBondContact O-N 2.68Å; F412-L415 PolarHBondContact O-N 3.41Å; F412-W416 WeakPolarHBondContact O-CB 3.36Å; F412-W416 PolarHBondContact O-N 3.19Å |
| 413 | D | 42.3 | Very low | 38.7 | Very low | 93 Ų | 93 | 113.4 Ų | 113.4 | 50% | 0.497 | 58% | 0.583 | S | S | . | * | H | α-helix | trans | -67.2 | -32.7 | 174.5 | -78.5 | -20.6 | 0 | 0 | 0 | 112.4 | I409 A417 | I409-D413 PolarHBondContact O-N 2.72Å; I409-D413 VanDerWaalsContact O-N 3.1Å; D413-A417 WeakPolarHBondContact O-CB 3.29Å; D413-A417 PolarHBondContact O-N 3.14Å; D413-A417 VanDerWaalsContact O-N 3.15Å |
| 414 | K | 43.6 | Very low | 38.1 | Very low | 147 Ų | 147 | 116 Ų | 116 | 64% | 0.639 | 60% | 0.596 | S | S | * | * | H | α-helix | trans | -69.8 | -38.9 | 172.1 | -79.1 | 179.7 | 178.1 | 176.1 | 0 | 113.3 | E410 K411 F412 A417 L418 | E410-K414 PolarHBondContact O-N 2.94Å; K411-K414 PolarHBondContact O-N 2.96Å; F412-K414 VanDerWaalsContact C-N 3.34Å; F412-K414 PolarHBondContact O-N 2.68Å; K414-A417 PolarHBondContact O-N 3.32Å; K414-L418 PolarHBondContact O-N 2.83Å |
| 415 | L | 39.9 | Very low | 37.5 | Very low | 117 Ų | 117 | 118 Ų | 118 | 61% | 0.613 | 61% | 0.609 | S | S | * | * | H | α-helix | trans | -71.8 | -34.3 | 176.9 | -77.4 | 165 | 0 | 0 | 0 | 112.5 | K411 F412 A417 L418 S419 | K411-L415 PolarHBondContact O-N 3.27Å; F412-L415 PolarHBondContact O-N 3.41Å; L415-A417 VanDerWaalsContact C-N 3.34Å; L415-L418 PolarHBondContact O-N 2.91Å; L415-S419 PolarHBondContact O-N 3.3Å |
| 416 | W | 39.4 | Very low | 36.9 | Very low | 156 Ų | 156 | 119.5 Ų | 119.5 | 59% | 0.591 | 62% | 0.622 | S | S | * | * | H | α-helix | trans | -72.8 | -25.9 | 175.6 | -161.7 | 80.7 | 0 | 0 | 0 | 112.9 | F412 S419 | F412-W416 WeakPolarHBondContact O-CB 3.36Å; F412-W416 PolarHBondContact O-N 3.19Å; W416-S419 PolarHBondContact O-OG 3.45Å |
| 417 | A | 38.7 | Very low | 36.2 | Very low | 64 Ų | 64 | 122 Ų | 122 | 53% | 0.529 | 64% | 0.635 | S | S | . | * | H | α-helix | trans | -73.1 | -33.3 | 169.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | D413 K414 L415 R420 | D413-A417 WeakPolarHBondContact O-CB 3.29Å; D413-A417 PolarHBondContact O-N 3.14Å; D413-A417 VanDerWaalsContact O-N 3.15Å; K414-A417 PolarHBondContact O-N 3.32Å; L415-A417 VanDerWaalsContact C-N 3.34Å; A417-R420 PolarHBondContact O-N 3.35Å |
| 418 | L | 36.7 | Very low | 35.3 | Very low | 108 Ų | 108 | 119 Ų | 119 | 57% | 0.565 | 63% | 0.634 | S | S | * | * | H | α-helix | trans | -74.5 | -29.7 | 178.8 | -107.6 | 141.3 | 0 | 0 | 0 | 113.7 | K414 L415 R420 S421 | K414-L418 PolarHBondContact O-N 2.83Å; L415-L418 PolarHBondContact O-N 2.91Å; L418-R420 PolarHBondContact O-N 3.28Å; L418-R420 VanDerWaalsContact O-N 3.13Å; L418-S421 PolarHBondContact O-N 3.32Å; L418-S421 PolarHBondContact O-OG 3.02Å; L418-S421 VanDerWaalsContact O-OG 3.06Å |
| 419 | S | 33.6 | Very low | 34.4 | Very low | 84 Ų | 84 | 120.7 Ų | 120.7 | 59% | 0.587 | 65% | 0.647 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -72.3 | -2 | 176.2 | 76.9 | 0 | 0 | 0 | 0 | 113.8 | L415 W416 | L415-S419 PolarHBondContact O-N 3.3Å; W416-S419 PolarHBondContact O-OG 3.45Å |
| 420 | R | 31.9 | Very low | 33.3 | Very low | 169 Ų | 169 | 126.3 Ų | 126.3 | 64% | 0.638 | 67% | 0.668 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -98.1 | -8.3 | -179.8 | -132.2 | 178.7 | -174.5 | 136.9 | 5.6 | 113.7 | A417 L418 | A417-R420 PolarHBondContact O-N 3.35Å; L418-R420 PolarHBondContact O-N 3.28Å; L418-R420 VanDerWaalsContact O-N 3.13Å |
| 421 | S | 32.3 | Very low | 32.4 | Very low | 86 Ų | 86 | 127.5 Ų | 127.5 | 60% | 0.601 | 68% | 0.678 | S | S | * | * | S | Bend | trans | -101.1 | 8.3 | 180 | 59.6 | 0 | 0 | 0 | 0 | 114.1 | L418 | L418-S421 PolarHBondContact O-N 3.32Å; L418-S421 PolarHBondContact O-OG 3.02Å; L418-S421 VanDerWaalsContact O-OG 3.06Å |
| 422 | L | 28.8 | Very low | 31.3 | Very low | 144 Ų | 144 | 129 Ų | 129 | 75% | 0.754 | 69% | 0.692 | S | S | * | * | S | Bend | trans | -127.7 | 64.3 | -177.3 | -86.4 | 134.1 | 0 | 0 | 0 | 111 | ||
| 423 | S | 26 | Very low | 30.3 | Very low | 104 Ų | 104 | 128.8 Ų | 128.8 | 73% | 0.727 | 70% | 0.698 | S | S | * | * | trans | -163.7 | 70.9 | 162.1 | 66.3 | 0 | 0 | 0 | 0 | 111 | ||||
| 424 | T | 23.5 | Very low | 29.4 | Very low | 129 Ų | 129 | 132.5 Ų | 132.5 | 79% | 0.791 | 71% | 0.712 | S | S | * | * | trans | -143.8 | 90.8 | 164.4 | 48 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 425 | T | 25 | Very low | 28.5 | Very low | 135 Ų | 135 | 128.6 Ų | 128.6 | 83% | 0.828 | 71% | 0.713 | S | S | * | * | trans | -177.3 | 143.5 | 151.3 | 27.6 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 426 | T | 27 | Very low | 27.7 | Very low | 123 Ų | 123 | 129.8 Ų | 129.8 | 76% | 0.755 | 72% | 0.72 | S | S | * | * | trans | 69.7 | 134.4 | 170.8 | 65 | 0 | 0 | 0 | 0 | 117.6 | ||||
| 427 | D | 26 | Very low | 27 | Very low | 149 Ų | 149 | 127.2 Ų | 127.2 | 80% | 0.797 | 73% | 0.726 | S | S | * | * | cis | -163.1 | 172.1 | -0.4 | -103.9 | -26.1 | 0 | 0 | 0 | 109.9 | ||||
| 428 | S | 22.9 | Very low | 26.4 | Very low | 91 Ų | 91 | 129.8 Ų | 129.8 | 64% | 0.636 | 73% | 0.73 | S | S | * | * | trans | -72 | 163.7 | -169.9 | 46.8 | 0 | 0 | 0 | 0 | 117.8 | ||||
| 429 | N | 22.9 | Very low | 25.7 | Very low | 146 Ų | 146 | 133.3 Ų | 133.3 | 78% | 0.781 | 74% | 0.743 | S | S | * | * | trans | 70.5 | 105.8 | 158 | -58.5 | -20.8 | 0 | 0 | 0 | 118.4 | ||||
| 430 | F | 25 | Very low | 25.4 | Very low | 209 Ų | 209 | 134.7 Ų | 134.7 | 92% | 0.917 | 74% | 0.736 | S | S | * | * | -172.7 | 141.5 | 126.5 | -113.2 | -80.7 | 0 | 0 | 0 | 110.9 | |||||
| 431 | D | 25.5 | Very low | 25 | Very low | 150 Ų | 150 | 131.9 Ų | 131.9 | 80% | 0.802 | 74% | 0.74 | S | S | * | * | trans | -61 | 153.2 | -164.6 | -69.1 | -60.9 | 0 | 0 | 0 | 117.7 | ||||
| 432 | D | 22.8 | Very low | 24.6 | Very low | 156 Ų | 156 | 134.4 Ų | 134.4 | 83% | 0.834 | 75% | 0.746 | S | S | * | * | trans | -55.5 | 130.3 | 178.1 | -66.2 | -54.9 | 0 | 0 | 0 | 115.1 | ||||
| 433 | D | 22.8 | Very low | 24.4 | Very low | 144 Ų | 144 | 133.3 Ų | 133.3 | 77% | 0.77 | 75% | 0.745 | S | S | * | * | -171.6 | 143.9 | 118.6 | -124.7 | -28.2 | 0 | 0 | 0 | 111.9 | |||||
| 434 | H | 23.9 | Very low | 24.3 | Very low | 172 Ų | 172 | 135 Ų | 135 | 80% | 0.796 | 75% | 0.746 | S | S | * | * | trans | 98.5 | 83 | 173 | -54.9 | -29.9 | 0 | 0 | 0 | 118.9 | ||||
| 435 | G | 24.3 | Very low | 24.4 | Very low | 64 Ų | 64 | 134 Ų | 134 | 66% | 0.66 | 74% | 0.744 | S | S | * | * | trans | -138.2 | 74.2 | 160.3 | 0 | 0 | 0 | 0 | 0 | 112.8 | S437 | G435-S437 PolarHBondContact O-N 3.29Š| ||
| 436 | D | 23.5 | Very low | 24.2 | Very low | 143 Ų | 143 | 135.9 Ų | 135.9 | 77% | 0.765 | 75% | 0.748 | S | S | * | * | trans | -81.2 | 91.6 | 167.3 | -90.1 | -23 | 0 | 0 | 0 | 109.9 | ||||
| 437 | S | 24.1 | Very low | 24.1 | Very low | 101 Ų | 101 | 137.4 Ų | 137.4 | 71% | 0.706 | 75% | 0.749 | S | S | * | * | trans | -108.6 | 110.1 | 157 | 63.1 | 0 | 0 | 0 | 0 | 108.3 | G435 H439 | G435-S437 PolarHBondContact O-N 3.29Å; S437-H439 PolarHBondContact O-N 2.84Å | ||
| 438 | I | 25.5 | Very low | 23.9 | Very low | 119 Ų | 119 | 137.1 Ų | 137.1 | 61% | 0.61 | 75% | 0.748 | S | S | * | * | trans | -70.6 | 96.5 | -178.6 | -60 | 171.8 | 0 | 0 | 0 | 108.3 | Y440 | I438-Y440 HydrophobicContact CB-CE2 4.44Å; I438-Y440 HydrophobicContact CG2-CD1 4.4Å; I438-Y440 HydrophobicContact CG2-CD2 3.88Å; I438-Y440 HydrophobicContact CG2-CE1 4.08Å; I438-Y440 HydrophobicContact CG2-CE2 3.53Å; I438-Y440 HydrophobicContact CG2-CG 4.3Å; I438-Y440 PolarHBondContact O-N 3.01Å | ||
| 439 | H | 23.4 | Very low | 24 | Very low | 182 Ų | 182 | 141.7 Ų | 141.7 | 84% | 0.843 | 76% | 0.759 | S | S | * | * | trans | -75.2 | 107.8 | 158.4 | -112.9 | -67.4 | 0 | 0 | 0 | 107.8 | S437 | S437-H439 PolarHBondContact O-N 2.84Š| ||
| 440 | Y | 25.8 | Very low | 24 | Very low | 112 Ų | 112 | 141.5 Ų | 141.5 | 44% | 0.439 | 76% | 0.758 | S | S | . | * | P | Polyproline II helix | trans | -72.8 | 137 | 161.9 | -67.7 | -83.1 | 0 | 0 | 0 | 107.9 | I438 N442 | I438-Y440 HydrophobicContact CB-CE2 4.44Å; I438-Y440 HydrophobicContact CG2-CD1 4.4Å; I438-Y440 HydrophobicContact CG2-CD2 3.88Å; I438-Y440 HydrophobicContact CG2-CE1 4.08Å; I438-Y440 HydrophobicContact CG2-CE2 3.53Å; I438-Y440 HydrophobicContact CG2-CG 4.3Å; I438-Y440 PolarHBondContact O-N 3.01Å; Y440-N442 PolarHBondContact O-N 3.27Å |
| 441 | P | 24 | Very low | 24 | Very low | 111 Ų | 111 | 137.9 Ų | 137.9 | 72% | 0.721 | 75% | 0.753 | S | S | * | * | P | Polyproline II helix | trans | -63.7 | 129.4 | 175.1 | 26.8 | -30.5 | 0 | 0 | 0 | 108.2 | V443 | P441-V443 PolarHBondContact O-N 2.92Å; P441-V443 VanDerWaalsContact O-N 3.17Å |
| 442 | N | 24.6 | Very low | 24 | Very low | 139 Ų | 139 | 139.2 Ų | 139.2 | 74% | 0.743 | 76% | 0.759 | S | S | * | * | P | Polyproline II helix | trans | -57.4 | 118.9 | 161.7 | -86.8 | -19.8 | 0 | 0 | 0 | 106.5 | Y440 D444 | Y440-N442 PolarHBondContact O-N 3.27Å; N442-D444 VanDerWaalsContact C-N 3.27Å; N442-D444 PolarHBondContact O-N 3.35Å; N442-D444 VanDerWaalsContact O-N 3.09Å |
| 443 | V | 25.1 | Very low | 24 | Very low | 121 Ų | 121 | 140.4 Ų | 140.4 | 73% | 0.733 | 76% | 0.757 | S | S | * | * | trans | -73.7 | 96.4 | 160.5 | -178.5 | 0 | 0 | 0 | 0 | 104.4 | P441 C445 | P441-V443 PolarHBondContact O-N 2.92Å; P441-V443 VanDerWaalsContact O-N 3.17Å; V443-C445 PolarHBondContact O-N 3.33Å | ||
| 444 | D | 23.9 | Very low | 24 | Very low | 138 Ų | 138 | 142.3 Ų | 142.3 | 74% | 0.738 | 76% | 0.759 | S | S | * | * | trans | -64.8 | 106.1 | 171.5 | -75.3 | -29.6 | 0 | 0 | 0 | 107.8 | N442 L446 | N442-D444 VanDerWaalsContact C-N 3.27Å; N442-D444 PolarHBondContact O-N 3.35Å; N442-D444 VanDerWaalsContact O-N 3.09Å; D444-L446 PolarHBondContact O-N 2.64Å | ||
| 445 | C | 23.6 | Very low | 23.9 | Very low | 110 Ų | 110 | 139.8 Ų | 139.8 | 74% | 0.743 | 76% | 0.76 | S | S | * | * | trans | -65.3 | 113.2 | 158.6 | -71.6 | 0 | 0 | 0 | 0 | 107.1 | V443 I447 | V443-C445 PolarHBondContact O-N 3.33Å; C445-I447 VanDerWaalsContact C-N 3.26Å; C445-I447 PolarHBondContact O-N 2.96Å | ||
| 446 | L | 22.1 | Very low | 23.8 | Very low | 174 Ų | 174 | 140.2 Ų | 140.2 | 91% | 0.911 | 77% | 0.765 | S | S | * | * | trans | -57.4 | 91.2 | 162.4 | -79.4 | 158.3 | 0 | 0 | 0 | 109.1 | D444 | D444-L446 PolarHBondContact O-N 2.64Š| ||
| 447 | I | 24.4 | Very low | 23.8 | Very low | 154 Ų | 154 | 141.7 Ų | 141.7 | 79% | 0.79 | 77% | 0.767 | S | S | * | * | trans | -124.2 | 105.5 | 152.3 | -61 | -179.2 | 0 | 0 | 0 | 105.7 | C445 | C445-I447 VanDerWaalsContact C-N 3.26Å; C445-I447 PolarHBondContact O-N 2.96Å | ||
| 448 | N | 22.4 | Very low | 23.7 | Very low | 143 Ų | 143 | 146.8 Ų | 146.8 | 77% | 0.765 | 78% | 0.777 | S | S | * | * | trans | -75.8 | 116.3 | 173.7 | -150.6 | 7.6 | 0 | 0 | 0 | 106.9 | ||||
| 449 | E | 24.8 | Very low | 23.7 | Very low | 188 Ų | 188 | 150.6 Ų | 150.6 | 88% | 0.879 | 78% | 0.783 | S | S | * | * | trans | -166 | 121.4 | 144 | -111 | 172 | -161.5 | 0 | 0 | 111.9 | ||||
| 450 | N | 22.2 | Very low | 23.6 | Very low | 142 Ų | 142 | 149.7 Ų | 149.7 | 76% | 0.759 | 78% | 0.784 | S | S | * | * | trans | -67.5 | 127.9 | 176.4 | -70.5 | -52.9 | 0 | 0 | 0 | 111.2 | ||||
| 451 | T | 25 | Very low | 23.5 | Very low | 132 Ų | 132 | 154 Ų | 154 | 81% | 0.81 | 81% | 0.806 | S | S | * | * | 161.3 | 103 | 126.4 | 33.3 | 0 | 0 | 0 | 0 | 111.8 | |||||
| 452 | L | 26.2 | Very low | 23.5 | Very low | 178 Ų | 178 | 157.3 Ų | 157.3 | 93% | 0.932 | 81% | 0.812 | S | S | * | * | -177.4 | 138 | 115.6 | -109.9 | 137.4 | 0 | 0 | 0 | 111.8 | |||||
| 453 | K | 22.7 | Very low | 23.4 | Very low | 181 Ų | 181 | 158.7 Ų | 158.7 | 79% | 0.787 | 81% | 0.814 | S | S | * | * | trans | -78 | 151.3 | -163.1 | -86.6 | 167 | 174.2 | 169.8 | 0 | 114.7 | ||||
| 454 | K | 22 | Very low | 23.3 | Very low | 185 Ų | 185 | 160 Ų | 160 | 80% | 0.804 | 82% | 0.817 | S | S | * | * | trans | 97.9 | 127.3 | 131.1 | -85.1 | 171.8 | -179.2 | -169.2 | 0 | 120.9 | ||||
| 455 | S | 21.8 | Very low | 23.2 | Very low | 118 Ų | 118 | 160.7 Ų | 160.7 | 83% | 0.825 | 82% | 0.82 | S | S | * | * | trans | 73.9 | 105.9 | 148.5 | 62.1 | 0 | 0 | 0 | 0 | 120.7 | ||||
| 456 | G | 22.4 | Very low | 23.2 | Very low | 73 Ų | 73 | 163.4 Ų | 163.4 | 75% | 0.753 | 83% | 0.826 | S | S | * | * | 83.7 | 99.1 | 108.2 | 0 | 0 | 0 | 0 | 0 | 118.3 | |||||
| 457 | Q | 23.4 | Very low | 23.1 | Very low | 175 Ų | 175 | 166 Ų | 166 | 82% | 0.818 | 83% | 0.826 | S | S | * | * | 156.5 | 115.9 | 123.3 | -93.7 | -178.4 | -23.7 | 0 | 0 | 111 | |||||
| 458 | K | 23 | Very low | 23 | Very low | 208 Ų | 208 | 164 Ų | 164 | 90% | 0.904 | 83% | 0.826 | S | S | * | * | trans | -57.4 | 129.4 | 159.6 | -74.9 | 177.5 | 173.5 | 178.9 | 0 | 108.7 | ||||
| 459 | R | 24 | Very low | 23 | Very low | 199 Ų | 199 | 162 Ų | 162 | 75% | 0.751 | 83% | 0.829 | S | S | * | * | trans | -121.3 | 107.7 | 166.3 | -92.6 | -172 | -95.8 | -176 | -9 | 109.5 | ||||
| 460 | N | 22.2 | Very low | 23.1 | Very low | 162 Ų | 162 | 157.9 Ų | 157.9 | 87% | 0.866 | 82% | 0.818 | S | S | * | * | P | Polyproline II helix | trans | -59.6 | 128.3 | 157.6 | -71.5 | -17.4 | 0 | 0 | 0 | 108.3 | ||
| 461 | F | 23.3 | Very low | 23.3 | Very low | 203 Ų | 203 | 159.1 Ų | 159.1 | 89% | 0.89 | 82% | 0.822 | S | S | * | * | P | Polyproline II helix | trans | -91.3 | 117 | 165.7 | -111.5 | -90.6 | 0 | 0 | 0 | 107.4 | Q463 | F461-Q463 PolarHBondContact O-N 3.09Š|
| 462 | Q | 24.3 | Very low | 23.3 | Very low | 181 Ų | 181 | 157.7 Ų | 157.7 | 85% | 0.846 | 81% | 0.809 | S | S | * | * | P | Polyproline II helix | trans | -58.1 | 128.2 | 171 | -81.1 | 169.5 | -59.7 | 0 | 0 | 110 | D464 | Q462-D464 PolarHBondContact O-N 3.22Š|
| 463 | Q | 22 | Very low | 23.2 | Very low | 168 Ų | 168 | 154.6 Ų | 154.6 | 79% | 0.785 | 79% | 0.794 | S | S | * | * | P | Polyproline II helix | trans | -60 | 120.1 | 158.1 | -87.4 | 160 | -47 | 0 | 0 | 108.7 | F461 | F461-Q463 PolarHBondContact O-N 3.09Š|
| 464 | D | 23.4 | Very low | 23.6 | Very low | 149 Ų | 149 | 149.1 Ų | 149.1 | 80% | 0.797 | 77% | 0.773 | S | S | * | * | trans | -113.4 | 118.4 | 152.4 | -81.7 | -35 | 0 | 0 | 0 | 108.1 | Q462 L466 | Q462-D464 PolarHBondContact O-N 3.22Å; D464-L466 PolarHBondContact O-N 3.43Å | ||
| 465 | N | 22.3 | Very low | 23.9 | Very low | 152 Ų | 152 | 142.9 Ų | 142.9 | 81% | 0.813 | 75% | 0.748 | S | S | * | * | trans | -23.3 | 117.6 | 170.3 | -65.1 | -44.4 | 0 | 0 | 0 | 115.8 | ||||
| 466 | L | 22.3 | Very low | 24.3 | Very low | 166 Ų | 166 | 139.8 Ų | 139.8 | 87% | 0.869 | 72% | 0.719 | S | S | * | * | trans | -155 | 75.5 | 151.9 | -138.1 | 92.6 | 0 | 0 | 0 | 112 | D464 | D464-L466 PolarHBondContact O-N 3.43Š| ||
| 467 | Y | 21.5 | Very low | 24.8 | Very low | 228 Ų | 228 | 138.6 Ų | 138.6 | 89% | 0.894 | 69% | 0.692 | S | S | * | * | trans | -118.8 | 94 | 159.1 | -86.4 | -77.8 | 0 | 0 | 0 | 109.7 | ||||
| 468 | S | 22.7 | Very low | 25.4 | Very low | 114 Ų | 114 | 134.6 Ų | 134.6 | 80% | 0.797 | 67% | 0.67 | S | S | * | * | trans | -179 | 111 | 145.1 | 38.6 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 469 | A | 21.9 | Very low | 26 | Very low | 100 Ų | 100 | 126 Ų | 126 | 83% | 0.826 | 63% | 0.632 | S | S | * | * | trans | 69.5 | 156.9 | 162 | 0 | 0 | 0 | 0 | 0 | 119.4 | ||||
| 470 | P | 26.9 | Very low | 26.5 | Very low | 101 Ų | 101 | 119.1 Ų | 119.1 | 66% | 0.656 | 61% | 0.61 | S | S | * | * | cis | -125.1 | 161.3 | -2.1 | 30.7 | -11.1 | 0 | 0 | 0 | 114.8 | N472 | P470-N472 VanDerWaalsContact C-N 3.26Å; P470-N472 HydrophobicContact CG-CB 4.31Å; P470-N472 PolarHBondContact O-N 2.78Å | ||
| 471 | M | 25.5 | Very low | 27.1 | Very low | 169 Ų | 169 | 116.9 Ų | 116.9 | 83% | 0.833 | 59% | 0.593 | S | S | * | * | trans | -59.8 | 89.9 | 151.8 | -75.6 | -144.7 | 171.6 | 0 | 0 | 109.5 | ||||
| 472 | N | 24.9 | Very low | 27.4 | Very low | 102 Ų | 102 | 111.6 Ų | 111.6 | 55% | 0.545 | 58% | 0.577 | S | S | . | * | trans | -167.5 | 106.1 | 168.5 | -121.7 | 0.3 | 0 | 0 | 0 | 108.4 | P470 | P470-N472 VanDerWaalsContact C-N 3.26Å; P470-N472 HydrophobicContact CG-CB 4.31Å; P470-N472 PolarHBondContact O-N 2.78Å | ||
| 473 | N | 25.6 | Very low | 27.9 | Very low | 113 Ų | 113 | 109.9 Ų | 109.9 | 60% | 0.604 | 58% | 0.579 | S | S | * | * | trans | -164.2 | 101.2 | 160.5 | -114.6 | -28.9 | 0 | 0 | 0 | 112.6 | S501 Y503 Q504 | N473-S501 PolarHBondContact OD1-OG 2.89Å; N473-Y503 CarbonylContact O-C 3.57Å; N473-Q504 WeakPolarHBondContact O-CB 3.49Å; N473-Q504 PolarHBondContact O-OE1 3.3Å | ||
| 474 | N | 30.5 | Very low | 28.3 | Very low | 66 Ų | 66 | 109.4 Ų | 109.4 | 35% | 0.353 | 58% | 0.582 | S | S | . | * | trans | -90.3 | 134.1 | -159.1 | -88.5 | -63.4 | 0 | 0 | 0 | 114.5 | Q504 | N474-Q504 VanDerWaalsContact C-CB 3.48Å; N474-Q504 HydrophobicContact CB-CB 3.95Å; N474-Q504 HydrophobicContact CB-CG 4.49Å; N474-Q504 PolarHBondContact ND2-OE1 3.01Å; N474-Q504 VanDerWaalsContact OD1-CB 3.29Å; N474-Q504 WeakPolarHBondContact OD1-CB 3.18Å; N474-Q504 WeakPolarHBondContact OD1-CG 3.46Å; N474-Q504 PolarHBondContact OD1-NE2 2.99Å; N474-Q504 PolarHBondContact OD1-OE1 3Å | ||
| 475 | N | 28.6 | Very low | 28.5 | Very low | 53 Ų | 53 | 105 Ų | 105 | 28% | 0.283 | 57% | 0.571 | S | S | . | * | B | Isolated β-bridge | trans | 168.8 | 109.1 | 163.1 | -103.6 | 37.1 | 0 | 0 | 0 | 121.6 | N490 S501 Y503 Q504 | N475-N490 PolarHBondContact ND2-ND2 3.31Å; N475-S501 WeakPolarHBondContact CB-O 3.42Å; N475-S501 PolarHBondContact ND2-O 3.5Å; N475-S501 PolarHBondContact OD1-O 2.91Å; N475-Y503 VanDerWaalsContact N-C 3.28Å; N475-Y503 CarbonylContact O-C 3.45Å; N475-Y503 VanDerWaalsContact O-C 3.26Å; N475-Y503 WeakPolarHBondContact O-CA 3.34Å; N475-Q504 CarbonylContact C-O 3.58Å; N475-Q504 WeakPolarHBondContact CA-O 3.29Å; N475-Q504 PolarHBondContact N-O 3.42Å; N475-Q504 CarbonylContact O-C 3.57Å; N475-Q504 PolarHBondContact O-N 2.84Å |
| 476 | Y | 30.3 | Very low | 29.2 | Very low | 54 Ų | 54 | 103 Ų | 103 | 21% | 0.212 | 56% | 0.557 | C | S | . | * | trans | -63.2 | 151.6 | -171.1 | -76.8 | -104.9 | 0 | 0 | 0 | 116.5 | P136 N490 Q504 Q505 C506 | P136-Y476 HydrophobicContact CB-CE1 4.39Å; P136-Y476 HydrophobicContact CG-CE1 4.3Å; Y476-N490 PolarHBondContact O-OD1 3.08Å; Y476-Q504 WeakPolarHBondContact CA-O 3.17Å; Y476-Q504 VanDerWaalsContact CD2-O 3.27Å; Y476-Q504 WeakPolarHBondContact CD2-O 3.18Å; Y476-Q504 PolarHBondContact N-O 3.05Å; Y476-Q505 VanDerWaalsContact CD1-CA 3.48Å; Y476-Q505 HydrophobicContact CD1-CB 3.89Å; Y476-Q505 HydrophobicContact CD1-CG 3.24Å; Y476-Q505 HydrophobicContact CE1-CB 3.6Å; Y476-Q505 HydrophobicContact CE1-CG 3.08Å; Y476-Q505 HydrophobicContact CG-CB 4.49Å; Y476-Q505 HydrophobicContact CG-CG 4.21Å; Y476-C506 HydrophobicContact CE2-CB 3.71Å; Y476-C506 VanDerWaalsContact OH-C 3.31Å; Y476-C506 WeakPolarHBondContact OH-CA 3.34Å; Y476-C506 WeakPolarHBondContact OH-CB 3.28Å; Y476-C506 PolarHBondContact OH-N 3.1Å; Y476-C506 PolarHBondContact OH-O 3.49Å | ||
| 477 | Y | 32.6 | Very low | 29.7 | Very low | 47 Ų | 47 | 102.7 Ų | 102.7 | 18% | 0.184 | 55% | 0.548 | C | S | . | . | trans | -124.1 | 128 | 166.6 | -74.5 | -77.1 | 0 | 0 | 0 | 110.7 | L488 K502 Y503 | Y477-L488 VanDerWaalsContact CB-CD2 3.43Å; Y477-L488 HydrophobicContact CD1-CB 3.72Å; Y477-L488 HydrophobicContact CD1-CD2 3.28Å; Y477-L488 HydrophobicContact CD1-CG 4.02Å; Y477-L488 HydrophobicContact CE1-CB 4.05Å; Y477-L488 HydrophobicContact CE1-CD2 4.23Å; Y477-L488 HydrophobicContact CG-CD2 3.59Å; Y477-K502 VanDerWaalsContact CE2-O 3.22Å; Y477-K502 WeakPolarHBondContact CE2-O 3.49Å; Y477-K502 VanDerWaalsContact CZ-O 3.25Å; Y477-K502 PolarHBondContact OH-O 3.28Å; Y477-Y503 AromaticContact CD2-CD1 3.85Å; Y477-Y503 HydrophobicContact CD2-CD1 3.85Å; Y477-Y503 HydrophobicContact CD2-CE1 4.3Å; Y477-Y503 HydrophobicContact CE1-CE1 4.32Å; Y477-Y503 AromaticContact CE2-CD1 2.96Å; Y477-Y503 HydrophobicContact CE2-CD1 2.96Å; Y477-Y503 HydrophobicContact CE2-CD2 4.48Å; Y477-Y503 AromaticContact CE2-CE1 3.33Å; Y477-Y503 HydrophobicContact CE2-CE1 3.33Å; Y477-Y503 AromaticContact CE2-CG 3.57Å; Y477-Y503 HydrophobicContact CE2-CG 3.57Å; Y477-Y503 AromaticContact CZ-CD1 3.48Å; Y477-Y503 VanDerWaalsContact CZ-CD1 3.48Å; Y477-Y503 AromaticContact CZ-CE1 3.3Å; Y477-Y503 AromaticContact CZ-CZ 3.85Å; Y477-Y503 WeakPolarHBondContact OH-CD1 3.2Å; Y477-Y503 WeakPolarHBondContact OH-CE1 3.3Å | ||
| 478 | Y | 35.4 | Very low | 30.4 | Very low | 91 Ų | 91 | 94.1 Ų | 94.1 | 36% | 0.357 | 52% | 0.518 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.3 | 153 | 158.9 | 64.4 | -74.2 | 0 | 0 | 0 | 106.9 | D480 V489 C491 | Y478-D480 HydrophobicContact CE2-CB 4.07Å; Y478-V489 WeakPolarHBondContact CD1-O 3.34Å; Y478-V489 WeakPolarHBondContact CE1-O 3.33Å; Y478-V489 PolarHBondContact O-N 3.31Å; Y478-V489 VanDerWaalsContact O-N 3.15Å; Y478-C491 HydrophobicContact CD1-CB 3.86Å; Y478-C491 VanDerWaalsContact CE1-CA 3.41Å; Y478-C491 HydrophobicContact CE1-CB 3.32Å |
| 479 | Y | 35.5 | Very low | 30.9 | Very low | 29 Ų | 29 | 90.8 Ų | 90.8 | 11% | 0.114 | 49% | 0.493 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.9 | 121.5 | 166.9 | -91.8 | -85.9 | 0 | 0 | 0 | 107.5 | I21 L192 Q486 L488 | I21-Y479 VanDerWaalsContact CD1-CB 3.49Å; I21-Y479 HydrophobicContact CD1-CG 4.4Å; I21-Y479 HydrophobicContact CG1-CG 4.34Å; I21-Y479 HydrophobicContact CG2-CD1 4.35Å; I21-Y479 HydrophobicContact CG2-CD2 4.36Å; I21-Y479 HydrophobicContact CG2-CG 4.06Å; L192-Y479 HydrophobicContact CD1-CE2 4.34Å; L192-Y479 HydrophobicContact CD2-CD2 4.12Å; L192-Y479 HydrophobicContact CD2-CE2 4.41Å; Y479-Q486 HydrophobicContact CD1-CB 4.19Å; Y479-Q486 HydrophobicContact CE1-CB 3.92Å; Y479-L488 HydrophobicContact CE2-CD2 4.46Å; Y479-L488 HydrophobicContact CE2-CG 4.34Å |
| 480 | D | 33.9 | Very low | 31.4 | Very low | 53 Ų | 53 | 88.6 Ų | 88.6 | 28% | 0.283 | 47% | 0.467 | S | S | . | . | trans | -75.7 | 134.9 | 173.5 | -157.3 | -13.8 | 0 | 0 | 0 | 109.3 | Y478 V489 | Y478-D480 HydrophobicContact CE2-CB 4.07Å; D480-V489 HydrophobicContact CB-CB 3.88Å; D480-V489 HydrophobicContact CB-CG2 3.44Å; D480-V489 VanDerWaalsContact CB-CG2 3.44Å | ||
| 481 | K | 35.2 | Very low | 31.7 | Very low | 116 Ų | 116 | 86.7 Ų | 86.7 | 50% | 0.504 | 46% | 0.456 | S | S | . | . | trans | -90.7 | 6.3 | -176.1 | -81.8 | -173.3 | -174.9 | 168.7 | 0 | 113.5 | I18 K19 V483 | I18-K481 PolarHBondContact O-NZ 3.33Å; K19-K481 PolarHBondContact O-NZ 3.22Å; K481-V483 PolarHBondContact O-N 2.68Å | ||
| 482 | T | 30 | Very low | 31.8 | Very low | 92 Ų | 92 | 84.2 Ų | 84.2 | 56% | 0.564 | 45% | 0.454 | S | S | * | . | trans | -62.5 | 139 | -179.2 | 52.6 | 0 | 0 | 0 | 0 | 112 | N484 | T482-N484 PolarHBondContact O-N 2.97Š| ||
| 483 | V | 35.8 | Very low | 32.3 | Very low | 145 Ų | 145 | 84.6 Ų | 84.6 | 88% | 0.879 | 46% | 0.464 | S | S | * | . | S | Bend | trans | -49.6 | -11.7 | -165.5 | 177.6 | 0 | 0 | 0 | 0 | 116.7 | K481 | K481-V483 PolarHBondContact O-N 2.68Š|
| 484 | N | 28.8 | Very low | 32.7 | Very low | 158 Ų | 158 | 82.2 Ų | 82.2 | 85% | 0.845 | 46% | 0.456 | S | S | * | . | S | Bend | trans | -118.9 | 75.3 | -178.4 | -73.3 | -24.6 | 0 | 0 | 0 | 112.7 | T482 | T482-N484 PolarHBondContact O-N 2.97Š|
| 485 | G | 29 | Very low | 32.9 | Very low | 56 Ų | 56 | 89 Ų | 89 | 58% | 0.577 | 48% | 0.482 | S | S | * | . | trans | 94.5 | 139.1 | 160.7 | 0 | 0 | 0 | 0 | 0 | 116.9 | K487 | G485-K487 PolarHBondContact O-N 2.8Å; G485-K487 VanDerWaalsContact O-N 3.1Å | ||
| 486 | Q | 36.9 | Very low | 33 | Very low | 109 Ų | 109 | 91.9 Ų | 91.9 | 51% | 0.509 | 51% | 0.505 | S | S | . | . | trans | -68.9 | 100.3 | 175 | -71.3 | -176.2 | -6.8 | 0 | 0 | 110.6 | N95 Y479 | N95-Q486 PolarHBondContact ND2-OE1 3.12Å; Y479-Q486 HydrophobicContact CD1-CB 4.19Å; Y479-Q486 HydrophobicContact CE1-CB 3.92Å | ||
| 487 | K | 32.8 | Very low | 32.8 | Very low | 160 Ų | 160 | 98.7 Ų | 98.7 | 70% | 0.696 | 54% | 0.536 | S | S | * | . | trans | -119.8 | 139.3 | 168.8 | -97 | 176.1 | 177.6 | 169.5 | 0 | 110.2 | G485 V489 | G485-K487 PolarHBondContact O-N 2.8Å; G485-K487 VanDerWaalsContact O-N 3.1Å; K487-V489 HydrophobicContact CB-CG2 4.2Å; K487-V489 WeakPolarHBondContact O-CG2 3.42Å; K487-V489 PolarHBondContact O-N 2.59Å | ||
| 488 | L | 35.4 | Very low | 32.6 | Very low | 48 Ų | 48 | 105.7 Ų | 105.7 | 25% | 0.251 | 57% | 0.567 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -65.9 | 106.4 | 162.6 | -90.8 | 155.6 | 0 | 0 | 0 | 108.3 | E97 Y477 Y479 | E97-L488 WeakPolarHBondContact OE2-CD1 3.4Å; Y477-L488 VanDerWaalsContact CB-CD2 3.43Å; Y477-L488 HydrophobicContact CD1-CB 3.72Å; Y477-L488 HydrophobicContact CD1-CD2 3.28Å; Y477-L488 HydrophobicContact CD1-CG 4.02Å; Y477-L488 HydrophobicContact CE1-CB 4.05Å; Y477-L488 HydrophobicContact CE1-CD2 4.23Å; Y477-L488 HydrophobicContact CG-CD2 3.59Å; Y479-L488 HydrophobicContact CE2-CD2 4.46Å; Y479-L488 HydrophobicContact CE2-CG 4.34Å |
| 489 | V | 33.4 | Very low | 32.2 | Very low | 44 Ų | 44 | 110.3 Ų | 110.3 | 27% | 0.267 | 59% | 0.592 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -105 | 134.8 | -178.2 | -174.9 | 0 | 0 | 0 | 0 | 109.5 | Y478 D480 K487 | Y478-V489 WeakPolarHBondContact CD1-O 3.34Å; Y478-V489 WeakPolarHBondContact CE1-O 3.33Å; Y478-V489 PolarHBondContact O-N 3.31Å; Y478-V489 VanDerWaalsContact O-N 3.15Å; D480-V489 HydrophobicContact CB-CB 3.88Å; D480-V489 HydrophobicContact CB-CG2 3.44Å; D480-V489 VanDerWaalsContact CB-CG2 3.44Å; K487-V489 HydrophobicContact CB-CG2 4.2Å; K487-V489 WeakPolarHBondContact O-CG2 3.42Å; K487-V489 PolarHBondContact O-N 2.59Å |
| 490 | N | 32.1 | Very low | 31.7 | Very low | 55 Ų | 55 | 114.8 Ų | 114.8 | 29% | 0.294 | 63% | 0.627 | S | S | . | * | trans | -76.8 | 131 | 172.8 | -93.1 | -21.9 | 0 | 0 | 0 | 109.3 | N475 Y476 C492 | N475-N490 PolarHBondContact ND2-ND2 3.31Å; Y476-N490 PolarHBondContact O-OD1 3.08Å; N490-C492 PolarHBondContact O-N 2.82Å | ||
| 491 | C | 33.1 | Very low | 31.3 | Very low | 61 Ų | 61 | 114.2 Ų | 114.2 | 41% | 0.412 | 63% | 0.628 | S | S | . | * | trans | -75.5 | 101.9 | 179.2 | -155.8 | 0 | 0 | 0 | 0 | 109.3 | Y478 S493 | Y478-C491 HydrophobicContact CD1-CB 3.86Å; Y478-C491 VanDerWaalsContact CE1-CA 3.41Å; Y478-C491 HydrophobicContact CE1-CB 3.32Å; C491-S493 VanDerWaalsContact C-N 3.34Å | ||
| 492 | C | 27.5 | Very low | 30.9 | Very low | 117 Ų | 117 | 115.5 Ų | 115.5 | 79% | 0.791 | 63% | 0.633 | S | S | * | * | trans | -91.9 | 8.1 | 172.1 | -68.5 | 0 | 0 | 0 | 0 | 113 | N490 | N490-C492 PolarHBondContact O-N 2.82Š| ||
| 493 | S | 35.7 | Very low | 30.9 | Very low | 110 Ų | 110 | 116.2 Ų | 116.2 | 77% | 0.769 | 63% | 0.626 | S | S | * | * | trans | -77.2 | -19.7 | -178.1 | 174 | 0 | 0 | 0 | 0 | 113.8 | C491 K495 | C491-S493 VanDerWaalsContact C-N 3.34Å; S493-K495 PolarHBondContact O-N 2.75Å | ||
| 494 | C | 33.4 | Very low | 30.8 | Very low | 63 Ų | 63 | 111 Ų | 111 | 43% | 0.426 | 59% | 0.593 | S | S | . | * | S | Bend | trans | -76.3 | 127.5 | 171.8 | -77.3 | 0 | 0 | 0 | 0 | 110.3 | C496 | C494-C496 PolarHBondContact O-N 3.45Š|
| 495 | K | 36 | Very low | 31.3 | Very low | 208 Ų | 208 | 106 Ų | 106 | 90% | 0.904 | 56% | 0.564 | S | S | * | * | S | Bend | trans | -56.5 | 16.7 | 170.7 | -80.6 | -177.9 | 176.5 | 175.8 | 0 | 115 | S493 K497 | S493-K495 PolarHBondContact O-N 2.75Å; K495-K497 PolarHBondContact O-N 3.39Å |
| 496 | C | 31.3 | Very low | 31.9 | Very low | 114 Ų | 114 | 106.4 Ų | 106.4 | 77% | 0.77 | 56% | 0.557 | S | S | * | * | trans | -80.8 | 69.4 | 173.1 | -58 | 0 | 0 | 0 | 0 | 109.9 | C494 K498 | C494-C496 PolarHBondContact O-N 3.45Å; C496-K498 PolarHBondContact O-N 3Å | ||
| 497 | K | 25.7 | Very low | 32.8 | Very low | 196 Ų | 196 | 103.3 Ų | 103.3 | 85% | 0.852 | 55% | 0.548 | S | S | * | . | trans | -68.5 | 111 | 167.1 | -82.6 | -179 | 174.5 | 177.7 | 0 | 109.4 | K495 | K495-K497 PolarHBondContact O-N 3.39Š| ||
| 498 | K | 28.1 | Very low | 35 | Very low | 195 Ų | 195 | 95.8 Ų | 95.8 | 85% | 0.848 | 52% | 0.515 | S | S | * | . | 158.1 | 132.8 | 127.6 | -86.9 | 173.9 | -179.8 | -180 | 0 | 112 | C496 | C496-K498 PolarHBondContact O-N 3Š| |||
| 499 | Q | 26.3 | Very low | 37.5 | Very low | 188 Ų | 188 | 96.3 Ų | 96.3 | 88% | 0.879 | 52% | 0.521 | S | S | * | . | trans | 88.5 | 131.6 | 162 | -68.7 | 176.4 | -7.3 | 0 | 0 | 119.8 | ||||
| 500 | S | 24.7 | Very low | 40.3 | Very low | 122 Ų | 122 | 97.8 Ų | 97.8 | 85% | 0.853 | 52% | 0.524 | S | S | * | . | trans | -69.3 | 122.9 | -172.3 | 55.8 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 501 | S | 25.4 | Very low | 43.2 | Very low | 42 Ų | 42 | 99.5 Ų | 99.5 | 29% | 0.294 | 54% | 0.539 | S | S | . | . | trans | -169 | 158 | 157.1 | -179.9 | 0 | 0 | 0 | 0 | 107.6 | N473 N475 | N473-S501 PolarHBondContact OD1-OG 2.89Å; N475-S501 WeakPolarHBondContact CB-O 3.42Å; N475-S501 PolarHBondContact ND2-O 3.5Å; N475-S501 PolarHBondContact OD1-O 2.91Å | ||
| 502 | K | 26.9 | Very low | 46 | Very low | 142 Ų | 142 | 100.2 Ų | 100.2 | 62% | 0.617 | 53% | 0.533 | S | S | * | . | trans | -111.8 | -1.3 | -151.6 | -139 | 174.9 | -172.1 | 175.4 | 0 | 117 | Y477 | Y477-K502 VanDerWaalsContact CE2-O 3.22Å; Y477-K502 WeakPolarHBondContact CE2-O 3.49Å; Y477-K502 VanDerWaalsContact CZ-O 3.25Å; Y477-K502 PolarHBondContact OH-O 3.28Å | ||
| 503 | Y | 31.7 | Very low | 49.2 | Very low | 107 Ų | 107 | 94.8 Ų | 94.8 | 42% | 0.42 | 50% | 0.496 | S | S | . | . | trans | -159.7 | 102.4 | -176.7 | -64.6 | -97.2 | 0 | 0 | 0 | 118.9 | N473 N475 Y477 | N473-Y503 CarbonylContact O-C 3.57Å; N475-Y503 VanDerWaalsContact N-C 3.28Å; N475-Y503 CarbonylContact O-C 3.45Å; N475-Y503 VanDerWaalsContact O-C 3.26Å; N475-Y503 WeakPolarHBondContact O-CA 3.34Å; Y477-Y503 AromaticContact CD2-CD1 3.85Å; Y477-Y503 HydrophobicContact CD2-CD1 3.85Å; Y477-Y503 HydrophobicContact CD2-CE1 4.3Å; Y477-Y503 HydrophobicContact CE1-CE1 4.32Å; Y477-Y503 AromaticContact CE2-CD1 2.96Å; Y477-Y503 HydrophobicContact CE2-CD1 2.96Å; Y477-Y503 HydrophobicContact CE2-CD2 4.48Å; Y477-Y503 AromaticContact CE2-CE1 3.33Å; Y477-Y503 HydrophobicContact CE2-CE1 3.33Å; Y477-Y503 AromaticContact CE2-CG 3.57Å; Y477-Y503 HydrophobicContact CE2-CG 3.57Å; Y477-Y503 AromaticContact CZ-CD1 3.48Å; Y477-Y503 VanDerWaalsContact CZ-CD1 3.48Å; Y477-Y503 AromaticContact CZ-CE1 3.3Å; Y477-Y503 AromaticContact CZ-CZ 3.85Å; Y477-Y503 WeakPolarHBondContact OH-CD1 3.2Å; Y477-Y503 WeakPolarHBondContact OH-CE1 3.3Å | ||
| 504 | Q | 32.2 | Very low | 52 | Low | 37 Ų | 37 | 90.8 Ų | 90.8 | 17% | 0.173 | 47% | 0.466 | C | S | . | . | B | Isolated β-bridge | trans | 172.6 | 128.4 | 173.3 | -132.4 | 175.9 | -42.2 | 0 | 0 | 115.3 | N473 N474 N475 Y476 | N473-Q504 WeakPolarHBondContact O-CB 3.49Å; N473-Q504 PolarHBondContact O-OE1 3.3Å; N474-Q504 VanDerWaalsContact C-CB 3.48Å; N474-Q504 HydrophobicContact CB-CB 3.95Å; N474-Q504 HydrophobicContact CB-CG 4.49Å; N474-Q504 PolarHBondContact ND2-OE1 3.01Å; N474-Q504 VanDerWaalsContact OD1-CB 3.29Å; N474-Q504 WeakPolarHBondContact OD1-CB 3.18Å; N474-Q504 WeakPolarHBondContact OD1-CG 3.46Å; N474-Q504 PolarHBondContact OD1-NE2 2.99Å; N474-Q504 PolarHBondContact OD1-OE1 3Å; N475-Q504 CarbonylContact C-O 3.58Å; N475-Q504 WeakPolarHBondContact CA-O 3.29Å; N475-Q504 PolarHBondContact N-O 3.42Å; N475-Q504 CarbonylContact O-C 3.57Å; N475-Q504 PolarHBondContact O-N 2.84Å; Y476-Q504 WeakPolarHBondContact CA-O 3.17Å; Y476-Q504 VanDerWaalsContact CD2-O 3.27Å; Y476-Q504 WeakPolarHBondContact CD2-O 3.18Å; Y476-Q504 PolarHBondContact N-O 3.05Å |
| 505 | Q | 40.8 | Very low | 54.9 | Low | 52 Ų | 52 | 94.3 Ų | 94.3 | 24% | 0.243 | 47% | 0.474 | C | S | . | . | trans | -52 | 132.6 | 145.4 | -96.2 | 154.2 | -39.1 | 0 | 0 | 112.1 | Y476 S507 | Y476-Q505 VanDerWaalsContact CD1-CA 3.48Å; Y476-Q505 HydrophobicContact CD1-CB 3.89Å; Y476-Q505 HydrophobicContact CD1-CG 3.24Å; Y476-Q505 HydrophobicContact CE1-CB 3.6Å; Y476-Q505 HydrophobicContact CE1-CG 3.08Å; Y476-Q505 HydrophobicContact CG-CB 4.49Å; Y476-Q505 HydrophobicContact CG-CG 4.21Å; Q505-S507 PolarHBondContact O-N 3.44Å | ||
| 506 | C | 41.2 | Very low | 57.7 | Low | 65 Ų | 65 | 85 Ų | 85 | 44% | 0.439 | 44% | 0.435 | S | S | . | . | trans | -56.8 | 93.4 | 152.4 | -60.8 | 0 | 0 | 0 | 0 | 106.5 | Y476 T508 | Y476-C506 HydrophobicContact CE2-CB 3.71Å; Y476-C506 VanDerWaalsContact OH-C 3.31Å; Y476-C506 WeakPolarHBondContact OH-CA 3.34Å; Y476-C506 WeakPolarHBondContact OH-CB 3.28Å; Y476-C506 PolarHBondContact OH-N 3.1Å; Y476-C506 PolarHBondContact OH-O 3.49Å; C506-T508 PolarHBondContact O-N 2.94Å | ||
| 507 | S | 56.1 | Low | 60.8 | Low | 43 Ų | 43 | 79.7 Ų | 79.7 | 30% | 0.301 | 40% | 0.399 | S | S | . | . | trans | -48 | 144.9 | 160 | 81.1 | 0 | 0 | 0 | 0 | 107.9 | R137 Q505 | R137-S507 PolarHBondContact NE-O 3.44Å; R137-S507 PolarHBondContact NH2-O 3.15Å; Q505-S507 PolarHBondContact O-N 3.44Å | ||
| 508 | T | 78.6 | Confident | 64.1 | Low | 3 Ų | 3 | 72 Ų | 72 | 2% | 0.018 | 37% | 0.368 | C | S | . | . | trans | -43.8 | 148.6 | 163.7 | 42.6 | 0 | 0 | 0 | 0 | 111.3 | T132 R137 C506 Y512 Q513 | T132-T508 WeakPolarHBondContact O-CG2 3.22Å; R137-T508 HydrophobicContact CG-CG2 4.29Å; R137-T508 VanDerWaalsContact NE-CA 3.29Å; R137-T508 VanDerWaalsContact NH2-C 3.27Å; C506-T508 PolarHBondContact O-N 2.94Å; T508-Y512 HydrophobicContact CG2-CD1 3.63Å; T508-Y512 HydrophobicContact CG2-CE1 3.99Å; T508-Q513 PolarHBondContact O-NE2 3.34Å; T508-Q513 WeakPolarHBondContact OG1-CG 3.36Å; T508-Q513 PolarHBondContact OG1-NE2 3.42Å | ||
| 509 | T | 87.8 | Confident | 67.3 | Low | 59 Ų | 59 | 69.3 Ų | 69.3 | 36% | 0.362 | 35% | 0.352 | S | S | . | . | trans | -66.2 | 152.5 | -175 | 5.6 | 0 | 0 | 0 | 0 | 107.9 | R137 C511 Y512 Q513 | R137-T509 VanDerWaalsContact CZ-CA 3.45Å; R137-T509 VanDerWaalsContact CZ-CG2 3.46Å; R137-T509 VanDerWaalsContact CZ-OG1 3.28Å; R137-T509 PolarHBondContact NH1-OG1 3.07Å; R137-T509 VanDerWaalsContact NH1-OG1 3.14Å; T509-C511 PolarHBondContact O-N 3.24Å; T509-Y512 PolarHBondContact O-N 3.43Å; T509-Y512 WeakPolarHBondContact OG1-CB 3.29Å; T509-Q513 WeakPolarHBondContact O-CG 3.47Å; T509-Q513 PolarHBondContact O-N 3.18Å | ||
| 510 | F | 91.4 | Very high | 70.5 | Confident | 75 Ų | 75 | 61.3 Ų | 61.3 | 33% | 0.329 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -50.9 | -46.8 | 172.3 | 175.5 | -95.3 | 0 | 0 | 0 | 111.6 | Y512 Q513 L514 S605 A606 L609 | F510-Y512 PolarHBondContact O-N 2.88Å; F510-Q513 PolarHBondContact O-N 3.44Å; F510-L514 HydrophobicContact CE1-CD2 4.18Å; F510-L514 VanDerWaalsContact O-CB 3.3Å; F510-L514 WeakPolarHBondContact O-CB 3.38Å; F510-L514 PolarHBondContact O-N 3.03Å; F510-S605 WeakPolarHBondContact CE2-OG 3.48Å; F510-A606 HydrophobicContact CD2-CB 3.91Å; F510-A606 HydrophobicContact CE2-CB 3.75Å; F510-L609 HydrophobicContact CE1-CD2 4.2Å; F510-L609 HydrophobicContact CZ-CD2 3.93Å |
| 511 | C | 93 | Very high | 73.7 | Confident | 91 Ų | 91 | 56.1 Ų | 56.1 | 62% | 0.615 | 28% | 0.277 | S | S | * | . | H | α-helix | trans | -61.6 | -40.9 | 177 | -176.1 | 0 | 0 | 0 | 0 | 112.6 | T509 L514 F515 | T509-C511 PolarHBondContact O-N 3.24Å; C511-L514 PolarHBondContact O-N 3.03Å; C511-F515 WeakPolarHBondContact O-CB 3.24Å; C511-F515 PolarHBondContact O-N 3.25Å |
| 512 | Y | 91.6 | Very high | 76.8 | Confident | 75 Ų | 75 | 59.1 Ų | 59.1 | 29% | 0.294 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -67.8 | -40.7 | 178.2 | -167.2 | -103.6 | 0 | 0 | 0 | 112.6 | T132 R144 T508 T509 F510 F515 T516 | T132-Y512 HydrophobicContact CG2-CE1 3.48Å; T132-Y512 VanDerWaalsContact CG2-CE1 3.48Å; T132-Y512 WeakPolarHBondContact CG2-OH 3.15Å; T132-Y512 WeakPolarHBondContact O-CE1 3.49Å; R144-Y512 PolarHBondContact NH1-OH 2.87Å; T508-Y512 HydrophobicContact CG2-CD1 3.63Å; T508-Y512 HydrophobicContact CG2-CE1 3.99Å; T509-Y512 PolarHBondContact O-N 3.43Å; T509-Y512 WeakPolarHBondContact OG1-CB 3.29Å; F510-Y512 PolarHBondContact O-N 2.88Å; Y512-F515 PolarHBondContact O-N 3.35Å; Y512-T516 WeakPolarHBondContact O-CB 3.31Å; Y512-T516 PolarHBondContact O-N 3.17Å; Y512-T516 PolarHBondContact O-OG1 3.33Å |
| 513 | Q | 94.4 | Very high | 79.9 | Confident | 4 Ų | 4 | 53.7 Ų | 53.7 | 2% | 0.019 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -60.7 | -49.3 | 173.1 | -68.6 | 176.8 | -2.8 | 0 | 0 | 110.5 | L133 T508 T509 F510 F515 T516 L517 R603 A606 | L133-Q513 HydrophobicContact CD2-CG 4.14Å; T508-Q513 PolarHBondContact O-NE2 3.34Å; T508-Q513 WeakPolarHBondContact OG1-CG 3.36Å; T508-Q513 PolarHBondContact OG1-NE2 3.42Å; T509-Q513 WeakPolarHBondContact O-CG 3.47Å; T509-Q513 PolarHBondContact O-N 3.18Å; F510-Q513 PolarHBondContact O-N 3.44Å; Q513-F515 PolarHBondContact O-N 3.2Å; Q513-T516 PolarHBondContact O-N 3.18Å; Q513-L517 WeakPolarHBondContact O-CB 3.36Å; Q513-L517 WeakPolarHBondContact O-CD1 3.43Å; Q513-L517 VanDerWaalsContact O-CG 3.23Å; Q513-L517 WeakPolarHBondContact O-CG 3.44Å; Q513-L517 PolarHBondContact O-N 3.02Å; Q513-R603 VanDerWaalsContact OE1-N 3.1Å; Q513-A606 HydrophobicContact CB-CB 3.9Å |
| 514 | L | 95.2 | Very high | 82.6 | Confident | 25 Ų | 25 | 49.7 Ų | 49.7 | 13% | 0.131 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -58.9 | -46.6 | 179 | -177.5 | 66.8 | 0 | 0 | 0 | 111.5 | F510 C511 L517 N518 A606 L609 L613 | F510-L514 HydrophobicContact CE1-CD2 4.18Å; F510-L514 VanDerWaalsContact O-CB 3.3Å; F510-L514 WeakPolarHBondContact O-CB 3.38Å; F510-L514 PolarHBondContact O-N 3.03Å; C511-L514 PolarHBondContact O-N 3.03Å; L514-L517 PolarHBondContact O-N 3.1Å; L514-N518 WeakPolarHBondContact CD1-ND2 3.46Å; L514-N518 WeakPolarHBondContact O-CB 3.48Å; L514-N518 PolarHBondContact O-N 3.02Å; L514-N518 PolarHBondContact O-ND2 3.17Å; L514-A606 WeakPolarHBondContact CD1-O 3.35Å; L514-L609 HydrophobicContact CD1-CB 3.9Å; L514-L609 HydrophobicContact CD1-CD2 4.06Å; L514-L609 HydrophobicContact CD1-CG 3.92Å; L514-L609 HydrophobicContact CD2-CD2 3.78Å; L514-L609 HydrophobicContact CD2-CG 4.41Å; L514-L613 HydrophobicContact CD1-CD1 4.33Å; L514-L613 HydrophobicContact CD2-CD1 4.32Å |
| 515 | F | 95.6 | Very high | 85.1 | Confident | 137 Ų | 137 | 49.7 Ų | 49.7 | 60% | 0.601 | 25% | 0.248 | S | C | * | . | H | α-helix | trans | -61.9 | -48.2 | 177.8 | 177.8 | -97.7 | 0 | 0 | 0 | 111.6 | C511 Y512 Q513 L517 N518 W519 | C511-F515 WeakPolarHBondContact O-CB 3.24Å; C511-F515 PolarHBondContact O-N 3.25Å; Y512-F515 PolarHBondContact O-N 3.35Å; Q513-F515 PolarHBondContact O-N 3.2Å; F515-L517 VanDerWaalsContact C-N 3.31Å; F515-L517 PolarHBondContact O-N 2.99Å; F515-N518 PolarHBondContact O-N 3.21Å; F515-W519 WeakPolarHBondContact O-CB 3.32Å; F515-W519 PolarHBondContact O-N 2.98Å |
| 516 | T | 94.4 | Very high | 87.3 | Confident | 14 Ų | 14 | 54.3 Ų | 54.3 | 9% | 0.086 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -61.6 | -40.6 | -179.8 | -53.8 | 0 | 0 | 0 | 0 | 111.5 | F129 T132 L133 Y512 Q513 W519 R520 | F129-T516 HydrophobicContact CD2-CG2 3.77Å; F129-T516 HydrophobicContact CE2-CG2 3.83Å; T132-T516 HydrophobicContact CG2-CG2 3.75Å; L133-T516 HydrophobicContact CD2-CG2 4.11Å; L133-T516 HydrophobicContact CG-CG2 4.19Å; Y512-T516 WeakPolarHBondContact O-CB 3.31Å; Y512-T516 PolarHBondContact O-N 3.17Å; Y512-T516 PolarHBondContact O-OG1 3.33Å; Q513-T516 PolarHBondContact O-N 3.18Å; T516-W519 PolarHBondContact O-N 3.49Å; T516-R520 PolarHBondContact O-N 3.27Å |
| 517 | L | 95.4 | Very high | 89.5 | Confident | 2 Ų | 2 | 55.7 Ų | 55.7 | 1% | 0.01 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -67.7 | -44.2 | 177.1 | -73.4 | 165.1 | 0 | 0 | 0 | 112.2 | F129 Q513 L514 F515 W519 R520 S521 Y602 A606 Y607 | F129-L517 HydrophobicContact CE2-CD2 4.16Å; F129-L517 HydrophobicContact CZ-CD2 3.85Å; Q513-L517 WeakPolarHBondContact O-CB 3.36Å; Q513-L517 WeakPolarHBondContact O-CD1 3.43Å; Q513-L517 VanDerWaalsContact O-CG 3.23Å; Q513-L517 WeakPolarHBondContact O-CG 3.44Å; Q513-L517 PolarHBondContact O-N 3.02Å; L514-L517 PolarHBondContact O-N 3.1Å; F515-L517 VanDerWaalsContact C-N 3.31Å; F515-L517 PolarHBondContact O-N 2.99Å; L517-W519 VanDerWaalsContact C-N 3.33Å; L517-W519 PolarHBondContact O-N 3.33Å; L517-R520 WeakPolarHBondContact O-CB 3.47Å; L517-R520 PolarHBondContact O-N 2.74Å; L517-S521 PolarHBondContact O-N 3.01Å; L517-S521 PolarHBondContact O-OG 2.81Å; L517-Y602 HydrophobicContact CD1-CD1 4.08Å; L517-Y602 HydrophobicContact CD1-CD2 4.37Å; L517-Y602 HydrophobicContact CD1-CG 3.96Å; L517-Y602 HydrophobicContact CD2-CD1 3.78Å; L517-Y602 HydrophobicContact CD2-CE1 3.64Å; L517-Y602 HydrophobicContact CD2-CG 4.45Å; L517-Y602 HydrophobicContact CG-CD1 4.3Å; L517-A606 HydrophobicContact CD1-CB 4.21Å; L517-Y607 HydrophobicContact CD2-CD2 4.49Å |
| 518 | N | 94.8 | Very high | 90.6 | Very high | 35 Ų | 35 | 55.7 Ų | 55.7 | 19% | 0.187 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -62 | -41.5 | 174.6 | -86 | -81.2 | 0 | 0 | 0 | 111.6 | L514 F515 R520 S521 Y522 S610 L613 | L514-N518 WeakPolarHBondContact CD1-ND2 3.46Å; L514-N518 WeakPolarHBondContact O-CB 3.48Å; L514-N518 PolarHBondContact O-N 3.02Å; L514-N518 PolarHBondContact O-ND2 3.17Å; F515-N518 PolarHBondContact O-N 3.21Å; N518-R520 VanDerWaalsContact C-N 3.35Å; N518-R520 PolarHBondContact O-N 3.11Å; N518-S521 PolarHBondContact O-N 3.19Å; N518-Y522 WeakPolarHBondContact O-CB 3.39Å; N518-Y522 PolarHBondContact O-N 3.12Å; N518-S610 PolarHBondContact OD1-O 3.07Å; N518-L613 WeakPolarHBondContact OD1-CB 3.44Å |
| 519 | W | 95.1 | Very high | 90.6 | Very high | 138 Ų | 138 | 56.8 Ų | 56.8 | 52% | 0.523 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -60.6 | -44.3 | 175.6 | -178.8 | -109.1 | 0 | 0 | 0 | 111.7 | F515 T516 L517 S521 Y522 L523 | F515-W519 WeakPolarHBondContact O-CB 3.32Å; F515-W519 PolarHBondContact O-N 2.98Å; T516-W519 PolarHBondContact O-N 3.49Å; L517-W519 VanDerWaalsContact C-N 3.33Å; L517-W519 PolarHBondContact O-N 3.33Å; W519-S521 PolarHBondContact O-N 3.03Å; W519-Y522 HydrophobicContact CE3-CD1 4.04Å; W519-Y522 HydrophobicContact CH2-CD1 4.41Å; W519-Y522 HydrophobicContact CH2-CE1 4.38Å; W519-Y522 AromaticContact CZ3-CD1 3.85Å; W519-Y522 HydrophobicContact CZ3-CD1 3.85Å; W519-Y522 HydrophobicContact CZ3-CE1 4.06Å; W519-Y522 PolarHBondContact O-N 3.15Å; W519-L523 HydrophobicContact CZ2-CD2 4.11Å; W519-L523 HydrophobicContact CZ2-CG 4.38Å; W519-L523 WeakPolarHBondContact O-CG 3.42Å; W519-L523 PolarHBondContact O-N 3.39Å |
| 520 | R | 94.6 | Very high | 90.4 | Very high | 19 Ų | 19 | 64.6 Ų | 64.6 | 7% | 0.072 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -58.9 | -46.8 | 174 | 180 | 171.4 | 73.9 | 169 | -2.1 | 112 | L121 F129 T516 L517 N518 L523 T524 E596 | L121-R520 HydrophobicContact CD1-CG 3.9Å; F129-R520 HydrophobicContact CD2-CB 4.34Å; F129-R520 HydrophobicContact CE2-CB 4.2Å; F129-R520 VanDerWaalsContact CZ-NH1 3.32Å; T516-R520 PolarHBondContact O-N 3.27Å; L517-R520 WeakPolarHBondContact O-CB 3.47Å; L517-R520 PolarHBondContact O-N 2.74Å; N518-R520 VanDerWaalsContact C-N 3.35Å; N518-R520 PolarHBondContact O-N 3.11Å; R520-L523 PolarHBondContact O-N 3.04Å; R520-T524 WeakPolarHBondContact O-CB 3.16Å; R520-T524 PolarHBondContact O-N 2.85Å; R520-T524 PolarHBondContact O-OG1 3.3Å; R520-E596 IonicContact CZ-OE1 2.81Å; R520-E596 IonicContact CZ-OE2 3.81Å; R520-E596 IonicContact NH1-OE1 2.69Å; R520-E596 PolarHBondContact NH1-OE1 2.85Å; R520-E596 IonicContact NH1-OE2 3.51Å; R520-E596 PolarHBondContact NH1-OE2 3.39Å; R520-E596 VanDerWaalsContact NH1-OE2 3.12Å; R520-E596 IonicContact NH2-OE1 3.5Å; R520-E596 IonicContact NH2-OE2 3.95Å; R520-E596 PolarHBondContact NH2-OE2 2.88Å |
| 521 | S | 91.8 | Very high | 89.7 | Confident | 13 Ų | 13 | 64.9 Ų | 64.9 | 9% | 0.091 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -63.5 | -41.4 | 177.1 | -65.7 | 0 | 0 | 0 | 0 | 111.6 | L517 N518 W519 T524 M525 S614 | L517-S521 PolarHBondContact O-N 3.01Å; L517-S521 PolarHBondContact O-OG 2.81Å; N518-S521 PolarHBondContact O-N 3.19Å; W519-S521 PolarHBondContact O-N 3.03Å; S521-T524 WeakPolarHBondContact O-CB 3.33Å; S521-T524 PolarHBondContact O-N 3.45Å; S521-M525 WeakPolarHBondContact O-CB 3.47Å; S521-M525 PolarHBondContact O-N 3.13Å; S521-S614 WeakPolarHBondContact CB-OG 3.48Å; S521-S614 PolarHBondContact OG-OG 2.89Å; S521-S614 VanDerWaalsContact OG-OG 3.14Å |
| 522 | Y | 90.9 | Very high | 89.2 | Confident | 106 Ų | 106 | 62.7 Ų | 62.7 | 42% | 0.416 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -60.9 | -45.4 | 176.5 | 170.6 | -99.4 | 0 | 0 | 0 | 112.3 | N518 W519 T524 M525 K526 | N518-Y522 WeakPolarHBondContact O-CB 3.39Å; N518-Y522 PolarHBondContact O-N 3.12Å; W519-Y522 HydrophobicContact CE3-CD1 4.04Å; W519-Y522 HydrophobicContact CH2-CD1 4.41Å; W519-Y522 HydrophobicContact CH2-CE1 4.38Å; W519-Y522 AromaticContact CZ3-CD1 3.85Å; W519-Y522 HydrophobicContact CZ3-CD1 3.85Å; W519-Y522 HydrophobicContact CZ3-CE1 4.06Å; W519-Y522 PolarHBondContact O-N 3.15Å; Y522-T524 VanDerWaalsContact C-N 3.32Å; Y522-T524 PolarHBondContact O-N 3.1Å; Y522-M525 HydrophobicContact CD2-CE 3.76Å; Y522-M525 HydrophobicContact CE2-CE 4.28Å; Y522-M525 WeakPolarHBondContact O-CB 3.33Å; Y522-M525 PolarHBondContact O-N 2.97Å; Y522-K526 WeakPolarHBondContact O-CB 3.41Å; Y522-K526 PolarHBondContact O-N 3.01Å |
| 523 | L | 91.2 | Very high | 89 | Confident | 27 Ų | 27 | 64.9 Ų | 64.9 | 14% | 0.141 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -61.7 | -43.1 | 175.8 | -73.3 | 176.5 | 0 | 0 | 0 | 111.7 | L121 W519 R520 M525 K526 R527 | L121-L523 HydrophobicContact CD2-CB 4.07Å; L121-L523 HydrophobicContact CD2-CD1 4.33Å; W519-L523 HydrophobicContact CZ2-CD2 4.11Å; W519-L523 HydrophobicContact CZ2-CG 4.38Å; W519-L523 WeakPolarHBondContact O-CG 3.42Å; W519-L523 PolarHBondContact O-N 3.39Å; R520-L523 PolarHBondContact O-N 3.04Å; L523-M525 VanDerWaalsContact C-N 3.33Å; L523-M525 PolarHBondContact O-N 2.85Å; L523-K526 PolarHBondContact O-N 2.82Å; L523-R527 WeakPolarHBondContact O-CG 3.41Å; L523-R527 PolarHBondContact O-N 2.77Å |
| 524 | T | 88.7 | Confident | 88.6 | Confident | 24 Ų | 24 | 67.2 Ų | 67.2 | 15% | 0.147 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -59.3 | -48.2 | 175.8 | -62.6 | 0 | 0 | 0 | 0 | 110.5 | M118 T120 R520 S521 Y522 R527 S528 | M118-T524 HydrophobicContact CE-CG2 3.52Å; M118-T524 WeakPolarHBondContact CE-OG1 3.43Å; T120-T524 HydrophobicContact CG2-CG2 4.06Å; T120-T524 PolarHBondContact OG1-OG1 3.41Å; R520-T524 WeakPolarHBondContact O-CB 3.16Å; R520-T524 PolarHBondContact O-N 2.85Å; R520-T524 PolarHBondContact O-OG1 3.3Å; S521-T524 WeakPolarHBondContact O-CB 3.33Å; S521-T524 PolarHBondContact O-N 3.45Å; Y522-T524 VanDerWaalsContact C-N 3.32Å; Y522-T524 PolarHBondContact O-N 3.1Å; T524-R527 PolarHBondContact O-N 3.24Å; T524-S528 WeakPolarHBondContact O-CB 3.38Å; T524-S528 PolarHBondContact O-N 2.91Å; T524-S528 PolarHBondContact O-OG 3.34Å |
| 525 | M | 85.4 | Confident | 88.1 | Confident | 36 Ų | 36 | 67.8 Ų | 67.8 | 18% | 0.177 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -58.8 | -49.5 | 178.3 | -177.8 | 177.7 | 78.5 | 0 | 0 | 111.1 | S521 Y522 L523 R527 S528 G529 I532 P618 I619 | S521-M525 WeakPolarHBondContact O-CB 3.47Å; S521-M525 PolarHBondContact O-N 3.13Å; Y522-M525 HydrophobicContact CD2-CE 3.76Å; Y522-M525 HydrophobicContact CE2-CE 4.28Å; Y522-M525 WeakPolarHBondContact O-CB 3.33Å; Y522-M525 PolarHBondContact O-N 2.97Å; L523-M525 VanDerWaalsContact C-N 3.33Å; L523-M525 PolarHBondContact O-N 2.85Å; M525-R527 VanDerWaalsContact C-N 3.29Å; M525-R527 PolarHBondContact O-N 3.47Å; M525-S528 CarbonylContact O-C 3.56Å; M525-S528 PolarHBondContact O-N 3.44Å; M525-S528 PolarHBondContact O-OG 2.83Å; M525-G529 PolarHBondContact O-N 3.33Å; M525-I532 HydrophobicContact CB-CD1 4.22Å; M525-I532 HydrophobicContact CG-CD1 3.07Å; M525-I532 HydrophobicContact CG-CG1 3.88Å; M525-I532 VanDerWaalsContact O-CD1 3.3Å; M525-I532 WeakPolarHBondContact O-CD1 3.28Å; M525-I532 HydrophobicContact SD-CD1 4.1Å; M525-P618 HydrophobicContact CE-CB 4.18Å; M525-P618 HydrophobicContact CE-CG 4.48Å; M525-P618 HydrophobicContact SD-CB 3.93Å; M525-P618 HydrophobicContact SD-CG 4.32Å; M525-I619 HydrophobicContact SD-CG1 4.31Å |
| 526 | K | 86.9 | Confident | 87.8 | Confident | 149 Ų | 149 | 64.9 Ų | 64.9 | 65% | 0.648 | 31% | 0.313 | S | S | * | . | H | α-helix | trans | -57.6 | -40.6 | 177 | -175.4 | 179.1 | 177.8 | 179.7 | 0 | 112.3 | Y522 L523 | Y522-K526 WeakPolarHBondContact O-CB 3.41Å; Y522-K526 PolarHBondContact O-N 3.01Å; L523-K526 PolarHBondContact O-N 2.82Å |
| 527 | R | 87.5 | Confident | 87.7 | Confident | 95 Ų | 95 | 66.3 Ų | 66.3 | 36% | 0.358 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -78.4 | -29.9 | -179 | -70.6 | 178.6 | 178.2 | 151.7 | 5.9 | 113.4 | T120 E125 L523 T524 M525 G529 | T120-R527 WeakPolarHBondContact O-CD 3.23Å; T120-R527 PolarHBondContact O-NH1 3.43Å; E125-R527 VanDerWaalsContact CD-NH2 3.31Å; E125-R527 IonicContact OE1-CZ 3.92Å; E125-R527 IonicContact OE1-NH1 2.87Å; E125-R527 IonicContact OE1-NH2 3.12Å; E125-R527 PolarHBondContact OE1-NH2 2.91Å; E125-R527 IonicContact OE2-CZ 3.6Å; E125-R527 IonicContact OE2-NH1 2.74Å; E125-R527 PolarHBondContact OE2-NH1 3.07Å; E125-R527 IonicContact OE2-NH2 2.62Å; E125-R527 PolarHBondContact OE2-NH2 2.66Å; E125-R527 VanDerWaalsContact OE2-NH2 3.14Å; L523-R527 WeakPolarHBondContact O-CG 3.41Å; L523-R527 PolarHBondContact O-N 2.77Å; T524-R527 PolarHBondContact O-N 3.24Å; M525-R527 VanDerWaalsContact C-N 3.29Å; M525-R527 PolarHBondContact O-N 3.47Å; R527-G529 VanDerWaalsContact C-N 3.26Å; R527-G529 PolarHBondContact O-N 2.89Å |
| 528 | S | 79.3 | Confident | 87.5 | Confident | 42 Ų | 42 | 69.5 Ų | 69.5 | 29% | 0.294 | 35% | 0.345 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -91.2 | 24.8 | 173 | 67 | 0 | 0 | 0 | 0 | 112.9 | T524 M525 R530 T531 | T524-S528 WeakPolarHBondContact O-CB 3.38Å; T524-S528 PolarHBondContact O-N 2.91Å; T524-S528 PolarHBondContact O-OG 3.34Å; M525-S528 CarbonylContact O-C 3.56Å; M525-S528 PolarHBondContact O-N 3.44Å; M525-S528 PolarHBondContact O-OG 2.83Å; S528-R530 PolarHBondContact O-N 2.77Å; S528-T531 PolarHBondContact O-N 2.69Å |
| 529 | G | 78.6 | Confident | 87.3 | Confident | 26 Ų | 26 | 68.2 Ų | 68.2 | 27% | 0.268 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -51.3 | -23.3 | -169.9 | 0 | 0 | 0 | 0 | 0 | 115.9 | M525 R527 T531 I532 L533 | M525-G529 PolarHBondContact O-N 3.33Å; R527-G529 VanDerWaalsContact C-N 3.26Å; R527-G529 PolarHBondContact O-N 2.89Å; G529-T531 VanDerWaalsContact C-N 3.28Å; G529-T531 PolarHBondContact O-N 3.29Å; G529-I532 PolarHBondContact O-N 3.01Å; G529-L533 WeakPolarHBondContact O-CB 3.31Å; G529-L533 PolarHBondContact O-N 3.24Å |
| 530 | R | 82 | Confident | 87.3 | Confident | 223 Ų | 223 | 65.6 Ų | 65.6 | 84% | 0.842 | 33% | 0.331 | S | S | * | . | H | α-helix | trans | -54 | -41.3 | 171.6 | -65.2 | -178.8 | 178.7 | 171.4 | -1 | 112.9 | S528 A534 | S528-R530 PolarHBondContact O-N 2.77Å; R530-A534 WeakPolarHBondContact O-CB 3.26Å; R530-A534 PolarHBondContact O-N 3.22Å |
| 531 | T | 78.4 | Confident | 87.3 | Confident | 81 Ų | 81 | 69.1 Ų | 69.1 | 50% | 0.497 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -69.2 | -40.9 | -178.9 | -54.4 | 0 | 0 | 0 | 0 | 111.5 | S528 G529 A534 H535 | S528-T531 PolarHBondContact O-N 2.69Å; G529-T531 VanDerWaalsContact C-N 3.28Å; G529-T531 PolarHBondContact O-N 3.29Å; T531-A534 PolarHBondContact O-N 2.92Å; T531-H535 PolarHBondContact O-CD2 3.41Å; T531-H535 PolarHBondContact O-N 3.45Å |
| 532 | I | 82 | Confident | 87.4 | Confident | 46 Ų | 46 | 71 Ų | 71 | 24% | 0.236 | 36% | 0.362 | C | S | . | . | H | α-helix | trans | -66.9 | -46.1 | 177.8 | -54.4 | 160.9 | 0 | 0 | 0 | 110 | M525 G529 A534 H535 F536 | M525-I532 HydrophobicContact CB-CD1 4.22Å; M525-I532 HydrophobicContact CG-CD1 3.07Å; M525-I532 HydrophobicContact CG-CG1 3.88Å; M525-I532 VanDerWaalsContact O-CD1 3.3Å; M525-I532 WeakPolarHBondContact O-CD1 3.28Å; M525-I532 HydrophobicContact SD-CD1 4.1Å; G529-I532 PolarHBondContact O-N 3.01Å; I532-A534 VanDerWaalsContact C-N 3.28Å; I532-A534 PolarHBondContact O-N 2.72Å; I532-H535 PolarHBondContact O-N 2.75Å; I532-H535 VanDerWaalsContact O-N 3.15Å; I532-F536 PolarHBondContact O-N 2.96Å |
| 533 | L | 86.8 | Confident | 87.6 | Confident | 121 Ų | 121 | 65.9 Ų | 65.9 | 63% | 0.634 | 34% | 0.342 | S | S | * | . | H | α-helix | trans | -59.2 | -42.8 | 178.5 | -177.3 | 64.2 | 0 | 0 | 0 | 110.6 | G529 F536 A537 | G529-L533 WeakPolarHBondContact O-CB 3.31Å; G529-L533 PolarHBondContact O-N 3.24Å; L533-F536 PolarHBondContact O-N 3.28Å; L533-A537 VanDerWaalsContact O-CB 3.23Å; L533-A537 WeakPolarHBondContact O-CB 3.39Å; L533-A537 PolarHBondContact O-N 2.98Å |
| 534 | A | 85.9 | Confident | 87.8 | Confident | 53 Ų | 53 | 67.9 Ų | 67.9 | 44% | 0.438 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -61.2 | -44.8 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | R530 T531 I532 A537 V538 | R530-A534 WeakPolarHBondContact O-CB 3.26Å; R530-A534 PolarHBondContact O-N 3.22Å; T531-A534 PolarHBondContact O-N 2.92Å; I532-A534 VanDerWaalsContact C-N 3.28Å; I532-A534 PolarHBondContact O-N 2.72Å; A534-A537 PolarHBondContact O-N 3.46Å; A534-V538 WeakPolarHBondContact O-CB 3.34Å; A534-V538 VanDerWaalsContact O-CG2 3.28Å; A534-V538 WeakPolarHBondContact O-CG2 3.47Å; A534-V538 PolarHBondContact O-N 3.47Å |
| 535 | H | 84.2 | Confident | 88.1 | Confident | 36 Ų | 36 | 73.1 Ų | 73.1 | 17% | 0.167 | 37% | 0.374 | C | S | . | . | H | α-helix | trans | -61.9 | -45.9 | 176.2 | -79.6 | -57.1 | 0 | 0 | 0 | 112.6 | T531 I532 Q539 T581 I619 | T531-H535 PolarHBondContact O-CD2 3.41Å; T531-H535 PolarHBondContact O-N 3.45Å; I532-H535 PolarHBondContact O-N 2.75Å; I532-H535 VanDerWaalsContact O-N 3.15Å; H535-Q539 WeakPolarHBondContact O-CB 3.37Å; H535-Q539 PolarHBondContact O-N 2.94Å; H535-T581 PolarHBondContact CE1-OG1 2.95Å; H535-I619 HydrophobicContact CB-CG2 4.33Å |
| 536 | F | 90.3 | Very high | 88.6 | Confident | 77 Ų | 77 | 72 Ų | 72 | 34% | 0.338 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -63.1 | -45.2 | 177.8 | -174.1 | -92.1 | 0 | 0 | 0 | 111.4 | I532 L533 Q539 F540 P623 L626 | I532-F536 PolarHBondContact O-N 2.96Å; L533-F536 PolarHBondContact O-N 3.28Å; F536-Q539 PolarHBondContact O-N 3.14Å; F536-F540 VanDerWaalsContact O-CB 3.31Å; F536-F540 WeakPolarHBondContact O-CB 3.22Å; F536-F540 PolarHBondContact O-N 3.03Å; F536-P623 HydrophobicContact CD2-CB 3.88Å; F536-P623 HydrophobicContact CD2-CG 4.03Å; F536-P623 HydrophobicContact CE2-CB 4.48Å; F536-L626 HydrophobicContact CE2-CD1 4.2Å |
| 537 | A | 92.1 | Very high | 89 | Confident | 43 Ų | 43 | 65 Ų | 65 | 36% | 0.355 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -61.9 | -47.3 | 179.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | L533 A534 Q539 F540 V541 | L533-A537 VanDerWaalsContact O-CB 3.23Å; L533-A537 WeakPolarHBondContact O-CB 3.39Å; L533-A537 PolarHBondContact O-N 2.98Å; A534-A537 PolarHBondContact O-N 3.46Å; A537-Q539 VanDerWaalsContact C-N 3.33Å; A537-Q539 PolarHBondContact O-N 3.12Å; A537-F540 PolarHBondContact O-N 3.07Å; A537-V541 VanDerWaalsContact O-CG2 3.3Å; A537-V541 WeakPolarHBondContact O-CG2 3.18Å; A537-V541 PolarHBondContact O-N 3.28Å |
| 538 | V | 90.7 | Very high | 89.4 | Confident | 70 Ų | 70 | 65.2 Ų | 65.2 | 42% | 0.424 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -61.2 | -43.5 | 176.6 | 171.1 | 0 | 0 | 0 | 0 | 110.7 | A534 F540 V541 I542 I578 | A534-V538 WeakPolarHBondContact O-CB 3.34Å; A534-V538 VanDerWaalsContact O-CG2 3.28Å; A534-V538 WeakPolarHBondContact O-CG2 3.47Å; A534-V538 PolarHBondContact O-N 3.47Å; V538-F540 PolarHBondContact O-N 3.11Å; V538-V541 PolarHBondContact O-N 3.32Å; V538-I542 HydrophobicContact CG1-CD1 3.81Å; V538-I542 WeakPolarHBondContact O-CG1 3.35Å; V538-I542 PolarHBondContact O-N 3.41Å; V538-I542 VanDerWaalsContact O-N 3.08Å; V538-I578 HydrophobicContact CG1-CD1 4.39Å |
| 539 | Q | 91.3 | Very high | 90.1 | Very high | 7 Ų | 7 | 67.6 Ų | 67.6 | 3% | 0.033 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -62.6 | -43.1 | 177.7 | -169.3 | 67.4 | 21.1 | 0 | 0 | 111.9 | H535 F536 A537 A543 H574 P623 C627 | H535-Q539 WeakPolarHBondContact O-CB 3.37Å; H535-Q539 PolarHBondContact O-N 2.94Å; F536-Q539 PolarHBondContact O-N 3.14Å; A537-Q539 VanDerWaalsContact C-N 3.33Å; A537-Q539 PolarHBondContact O-N 3.12Å; Q539-A543 VanDerWaalsContact O-CB 3.25Å; Q539-A543 WeakPolarHBondContact O-CB 3.45Å; Q539-A543 PolarHBondContact O-N 3.09Å; Q539-H574 PolarHBondContact NE2-CD2 2.86Å; Q539-H574 PolarHBondContact NE2-NE2 3.29Å; Q539-H574 PolarHBondContact OE1-CE1 2.91Å; Q539-H574 PolarHBondContact OE1-NE2 3.23Å; Q539-P623 HydrophobicContact CB-CB 4.44Å; Q539-P623 HydrophobicContact CG-CB 4.26Å; Q539-C627 HydrophobicContact CG-CB 3.87Å |
| 540 | F | 94.5 | Very high | 90.9 | Very high | 84 Ų | 84 | 67.9 Ų | 67.9 | 37% | 0.368 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -64.4 | -47.5 | 179 | 179.3 | -99.7 | 0 | 0 | 0 | 111.9 | F536 A537 V538 I542 A543 L544 I630 | F536-F540 VanDerWaalsContact O-CB 3.31Å; F536-F540 WeakPolarHBondContact O-CB 3.22Å; F536-F540 PolarHBondContact O-N 3.03Å; A537-F540 PolarHBondContact O-N 3.07Å; V538-F540 PolarHBondContact O-N 3.11Å; F540-I542 PolarHBondContact O-N 3.09Å; F540-A543 PolarHBondContact O-N 2.91Å; F540-L544 HydrophobicContact CE1-CD1 4.28Å; F540-L544 HydrophobicContact CZ-CD1 4.1Å; F540-L544 WeakPolarHBondContact O-CB 3.44Å; F540-L544 PolarHBondContact O-N 3Å; F540-I630 HydrophobicContact CD2-CD1 4.03Å; F540-I630 HydrophobicContact CE2-CD1 3.6Å |
| 541 | V | 95.4 | Very high | 91.5 | Very high | 92 Ų | 92 | 62 Ų | 62 | 56% | 0.558 | 33% | 0.331 | S | S | * | . | H | α-helix | trans | -60.3 | -46.1 | 178.9 | 170.2 | 0 | 0 | 0 | 0 | 111.1 | A537 V538 L544 F545 | A537-V541 VanDerWaalsContact O-CG2 3.3Å; A537-V541 WeakPolarHBondContact O-CG2 3.18Å; A537-V541 PolarHBondContact O-N 3.28Å; V538-V541 PolarHBondContact O-N 3.32Å; V541-L544 PolarHBondContact O-N 3.27Å; V541-F545 VanDerWaalsContact O-CB 3.29Å; V541-F545 WeakPolarHBondContact O-CB 3.3Å; V541-F545 PolarHBondContact O-N 3.29Å |
| 542 | I | 93.3 | Very high | 92 | Very high | 52 Ų | 52 | 63.8 Ų | 63.8 | 27% | 0.267 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -66.4 | -41.6 | 179.5 | -68.6 | 169.7 | 0 | 0 | 0 | 111.1 | V538 F540 L544 F545 L546 H574 | V538-I542 HydrophobicContact CG1-CD1 3.81Å; V538-I542 WeakPolarHBondContact O-CG1 3.35Å; V538-I542 PolarHBondContact O-N 3.41Å; V538-I542 VanDerWaalsContact O-N 3.08Å; F540-I542 PolarHBondContact O-N 3.09Å; I542-L544 VanDerWaalsContact C-N 3.35Å; I542-L544 PolarHBondContact O-N 3.36Å; I542-F545 PolarHBondContact O-N 2.74Å; I542-L546 HydrophobicContact CG2-CD1 4.06Å; I542-L546 HydrophobicContact CG2-CG 4.41Å; I542-L546 WeakPolarHBondContact O-CB 3.41Å; I542-L546 WeakPolarHBondContact O-CG 3.44Å; I542-L546 PolarHBondContact O-N 3.45Å; I542-H574 WeakPolarHBondContact CD1-CE1 3.25Å; I542-H574 HydrophobicContact CG2-CB 4.49Å |
| 543 | A | 94.7 | Very high | 92.3 | Very high | 0 Ų | 0 | 62.3 Ų | 62.3 | 0% | 0 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -62.8 | -41.5 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | Q539 F540 G547 C627 L628 T631 | Q539-A543 VanDerWaalsContact O-CB 3.25Å; Q539-A543 WeakPolarHBondContact O-CB 3.45Å; Q539-A543 PolarHBondContact O-N 3.09Å; F540-A543 PolarHBondContact O-N 2.91Å; A543-G547 PolarHBondContact O-N 3.33Å; A543-C627 HydrophobicContact CB-CB 3.73Å; A543-C627 WeakPolarHBondContact CB-O 3.28Å; A543-L628 HydrophobicContact CB-CD2 4.1Å; A543-T631 WeakPolarHBondContact CA-OG1 3.48Å; A543-T631 WeakPolarHBondContact CB-OG1 3.29Å; A543-T631 PolarHBondContact O-OG1 2.82Å |
| 544 | L | 95.8 | Very high | 92.2 | Very high | 69 Ų | 69 | 59.3 Ų | 59.3 | 36% | 0.361 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -67.1 | -42.7 | 175.9 | -173.1 | 129.4 | 0 | 0 | 0 | 111.3 | F540 V541 I542 G547 I548 | F540-L544 HydrophobicContact CE1-CD1 4.28Å; F540-L544 HydrophobicContact CZ-CD1 4.1Å; F540-L544 WeakPolarHBondContact O-CB 3.44Å; F540-L544 PolarHBondContact O-N 3Å; V541-L544 PolarHBondContact O-N 3.27Å; I542-L544 VanDerWaalsContact C-N 3.35Å; I542-L544 PolarHBondContact O-N 3.36Å; L544-G547 PolarHBondContact O-N 2.91Å; L544-I548 HydrophobicContact CD2-CD1 3.47Å; L544-I548 VanDerWaalsContact CD2-CD1 3.47Å; L544-I548 HydrophobicContact CG-CD1 4Å; L544-I548 VanDerWaalsContact O-CG1 3.31Å; L544-I548 WeakPolarHBondContact O-CG1 3.31Å; L544-I548 PolarHBondContact O-N 3.49Å |
| 545 | F | 96 | Very high | 92 | Very high | 134 Ų | 134 | 63.7 Ų | 63.7 | 59% | 0.588 | 32% | 0.324 | S | S | * | . | H | α-helix | trans | -61.3 | -46.6 | 176.6 | -170.5 | -107.2 | 0 | 0 | 0 | 112.1 | V541 I542 G547 I548 I549 | V541-F545 VanDerWaalsContact O-CB 3.29Å; V541-F545 WeakPolarHBondContact O-CB 3.3Å; V541-F545 PolarHBondContact O-N 3.29Å; I542-F545 PolarHBondContact O-N 2.74Å; F545-G547 VanDerWaalsContact C-N 3.32Å; F545-G547 PolarHBondContact O-N 2.99Å; F545-I548 PolarHBondContact O-N 2.78Å; F545-I549 HydrophobicContact CD1-CD1 3.57Å; F545-I549 HydrophobicContact CE1-CD1 3.17Å; F545-I549 HydrophobicContact CE1-CG1 4.35Å; F545-I549 HydrophobicContact CE2-CD1 4.17Å; F545-I549 HydrophobicContact CG-CD1 4.24Å; F545-I549 HydrophobicContact CZ-CD1 3.51Å; F545-I549 HydrophobicContact CZ-CG1 4.44Å; F545-I549 WeakPolarHBondContact O-CG1 3.37Å; F545-I549 PolarHBondContact O-N 3.34Å |
| 546 | L | 95 | Very high | 91.8 | Very high | 13 Ų | 13 | 64.1 Ų | 64.1 | 7% | 0.068 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -61.9 | -40.5 | 173.6 | -72.2 | 173.6 | 0 | 0 | 0 | 111.7 | I542 I548 Y550 L567 L570 T631 | I542-L546 HydrophobicContact CG2-CD1 4.06Å; I542-L546 HydrophobicContact CG2-CG 4.41Å; I542-L546 WeakPolarHBondContact O-CB 3.41Å; I542-L546 WeakPolarHBondContact O-CG 3.44Å; I542-L546 PolarHBondContact O-N 3.45Å; L546-I548 PolarHBondContact O-N 2.72Å; L546-Y550 HydrophobicContact CD2-CE2 4.25Å; L546-Y550 WeakPolarHBondContact O-CD2 3.48Å; L546-Y550 PolarHBondContact O-N 3.15Å; L546-Y550 VanDerWaalsContact O-N 3.16Å; L546-L567 HydrophobicContact CB-CD1 4.46Å; L546-L570 HydrophobicContact CD2-CB 3.97Å; L546-L570 HydrophobicContact CD2-CD1 4.13Å; L546-T631 HydrophobicContact CB-CG2 4.05Å |
| 547 | G | 95 | Very high | 90.9 | Very high | 0 Ų | 0 | 64.9 Ų | 64.9 | 0% | 0 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -63.2 | -38.8 | 177.4 | 0 | 0 | 0 | 0 | 0 | 113.6 | A543 L544 F545 L551 | A543-G547 PolarHBondContact O-N 3.33Å; L544-G547 PolarHBondContact O-N 2.91Å; F545-G547 VanDerWaalsContact C-N 3.32Å; F545-G547 PolarHBondContact O-N 2.99Å; G547-L551 WeakPolarHBondContact O-CA 3.45Å; G547-L551 PolarHBondContact O-N 3.33Å |
| 548 | I | 95.7 | Very high | 90.2 | Very high | 100 Ų | 100 | 65.2 Ų | 65.2 | 51% | 0.513 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -74.4 | -42.4 | 178.6 | -68.4 | 169.2 | 0 | 0 | 0 | 111.6 | L544 F545 L546 Y550 L551 | L544-I548 HydrophobicContact CD2-CD1 3.47Å; L544-I548 VanDerWaalsContact CD2-CD1 3.47Å; L544-I548 HydrophobicContact CG-CD1 4Å; L544-I548 VanDerWaalsContact O-CG1 3.31Å; L544-I548 WeakPolarHBondContact O-CG1 3.31Å; L544-I548 PolarHBondContact O-N 3.49Å; F545-I548 PolarHBondContact O-N 2.78Å; L546-I548 PolarHBondContact O-N 2.72Å; I548-Y550 VanDerWaalsContact C-N 3.3Å; I548-Y550 PolarHBondContact O-N 3.1Å; I548-L551 WeakPolarHBondContact O-CB 3.23Å; I548-L551 PolarHBondContact O-N 3.12Å |
| 549 | I | 95.2 | Very high | 89.9 | Confident | 93 Ų | 93 | 63.9 Ų | 63.9 | 48% | 0.477 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -61.8 | -41.8 | 179.6 | -75 | 175.9 | 0 | 0 | 0 | 111.2 | F545 | F545-I549 HydrophobicContact CD1-CD1 3.57Å; F545-I549 HydrophobicContact CE1-CD1 3.17Å; F545-I549 HydrophobicContact CE1-CG1 4.35Å; F545-I549 HydrophobicContact CE2-CD1 4.17Å; F545-I549 HydrophobicContact CG-CD1 4.24Å; F545-I549 HydrophobicContact CZ-CD1 3.51Å; F545-I549 HydrophobicContact CZ-CG1 4.44Å; F545-I549 WeakPolarHBondContact O-CG1 3.37Å; F545-I549 PolarHBondContact O-N 3.34Å |
| 550 | Y | 94.9 | Very high | 89.7 | Confident | 32 Ų | 32 | 63.6 Ų | 63.6 | 13% | 0.125 | 33% | 0.325 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -100.1 | 27.3 | -177.9 | -65.7 | -74.8 | 0 | 0 | 0 | 112.2 | L546 I548 N552 M553 N563 L567 L570 T635 | L546-Y550 HydrophobicContact CD2-CE2 4.25Å; L546-Y550 WeakPolarHBondContact O-CD2 3.48Å; L546-Y550 PolarHBondContact O-N 3.15Å; L546-Y550 VanDerWaalsContact O-N 3.16Å; I548-Y550 VanDerWaalsContact C-N 3.3Å; I548-Y550 PolarHBondContact O-N 3.1Å; Y550-N552 PolarHBondContact O-N 3.19Å; Y550-M553 HydrophobicContact CD1-SD 4.23Å; Y550-M553 VanDerWaalsContact O-CG 3.27Å; Y550-M553 WeakPolarHBondContact O-CG 3.28Å; Y550-N563 HydrophobicContact CD1-CB 3.96Å; Y550-N563 WeakPolarHBondContact CD1-O 3.41Å; Y550-N563 HydrophobicContact CE1-CB 4.09Å; Y550-N563 VanDerWaalsContact CE1-O 3.26Å; Y550-N563 WeakPolarHBondContact CE1-O 3.45Å; Y550-L567 HydrophobicContact CD1-CB 4.3Å; Y550-L567 HydrophobicContact CD2-CB 4.06Å; Y550-L567 HydrophobicContact CD2-CD1 3.7Å; Y550-L567 HydrophobicContact CD2-CG 4.45Å; Y550-L567 HydrophobicContact CE2-CB 4.26Å; Y550-L567 HydrophobicContact CE2-CD1 4.34Å; Y550-L567 HydrophobicContact CG-CB 4.07Å; Y550-L567 HydrophobicContact CG-CD1 4.14Å; Y550-L570 HydrophobicContact CE2-CD1 4.09Å; Y550-L570 WeakPolarHBondContact OH-CD1 3.33Å; Y550-T635 VanDerWaalsContact O-CA 3.26Å; Y550-T635 WeakPolarHBondContact O-CA 3.4Å; Y550-T635 WeakPolarHBondContact O-CB 3.39Å; Y550-T635 WeakPolarHBondContact O-CG2 3.46Å |
| 551 | L | 94.6 | Very high | 89.5 | Confident | 98 Ų | 98 | 60.2 Ų | 60.2 | 51% | 0.513 | 31% | 0.311 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -57.9 | 125.1 | -177 | -168.8 | 79.9 | 0 | 0 | 0 | 110.9 | G547 I548 M553 L634 | G547-L551 WeakPolarHBondContact O-CA 3.45Å; G547-L551 PolarHBondContact O-N 3.33Å; I548-L551 WeakPolarHBondContact O-CB 3.23Å; I548-L551 PolarHBondContact O-N 3.12Å; L551-M553 PolarHBondContact O-N 2.64Å; L551-L634 HydrophobicContact CD1-CB 4.38Å; L551-L634 HydrophobicContact CD1-CD2 4.12Å; L551-L634 WeakPolarHBondContact CD1-O 3.29Å |
| 552 | N | 89.5 | Confident | 89.2 | Confident | 120 Ų | 120 | 61.9 Ų | 61.9 | 64% | 0.642 | 31% | 0.313 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 40.6 | 69 | 178.8 | -76.8 | -19.7 | 0 | 0 | 0 | 114.4 | Y550 N554 L634 | Y550-N552 PolarHBondContact O-N 3.19Å; N552-N554 PolarHBondContact O-N 3.11Å; N552-L634 PolarHBondContact N-O 3.47Å |
| 553 | M | 88.6 | Confident | 89.3 | Confident | 14 Ų | 14 | 61.9 Ų | 61.9 | 7% | 0.069 | 31% | 0.313 | C | S | . | . | trans | -58.8 | 125 | -176.1 | -61.6 | 179.1 | -69.9 | 0 | 0 | 112.6 | Y550 L551 N563 R564 L567 T635 L637 | Y550-M553 HydrophobicContact CD1-SD 4.23Å; Y550-M553 VanDerWaalsContact O-CG 3.27Å; Y550-M553 WeakPolarHBondContact O-CG 3.28Å; L551-M553 PolarHBondContact O-N 2.64Å; M553-N563 HydrophobicContact CG-CB 4.24Å; M553-N563 HydrophobicContact SD-CB 4.02Å; M553-R564 HydrophobicContact CE-CB 4.49Å; M553-R564 HydrophobicContact CE-CG 3.47Å; M553-R564 VanDerWaalsContact CE-CG 3.47Å; M553-R564 PolarHBondContact O-NH2 3Å; M553-R564 HydrophobicContact SD-CB 4.37Å; M553-R564 HydrophobicContact SD-CG 3.66Å; M553-L567 HydrophobicContact CE-CD2 3.82Å; M553-L567 HydrophobicContact SD-CD2 4.15Å; M553-T635 PolarHBondContact N-O 3.13Å; M553-T635 VanDerWaalsContact N-O 3.12Å; M553-L637 HydrophobicContact CE-CD2 3.77Å; M553-L637 HydrophobicContact CE-CG 4.21Å | ||
| 554 | N | 84.3 | Confident | 89.2 | Confident | 59 Ų | 59 | 62.1 Ų | 62.1 | 32% | 0.316 | 31% | 0.314 | S | S | . | . | trans | -59.1 | 162 | 175.5 | 58.3 | 20.4 | 0 | 0 | 0 | 113.1 | N552 W556 S559 G560 R564 | N552-N554 PolarHBondContact O-N 3.11Å; N554-W556 HydrophobicContact CB-CG 4.26Å; N554-W556 VanDerWaalsContact CG-CD1 3.43Å; N554-S559 PolarHBondContact ND2-OG 2.67Å; N554-S559 VanDerWaalsContact ND2-OG 3.16Å; N554-S559 PolarHBondContact OD1-OG 3.35Å; N554-G560 WeakPolarHBondContact O-CA 3.47Å; N554-G560 WeakPolarHBondContact OD1-CA 3.4Å; N554-G560 PolarHBondContact OD1-N 3.16Å; N554-R564 PolarHBondContact O-NH1 3.45Å | ||
| 555 | K | 80.7 | Confident | 89.1 | Confident | 144 Ų | 144 | 59.2 Ų | 59.2 | 63% | 0.626 | 30% | 0.298 | S | S | * | . | trans | -100.3 | 22 | 179.5 | -63.7 | -175.1 | 179.1 | -177.8 | 0 | 112.9 | F729 | K555-F729 WeakPolarHBondContact O-CA 3.05Š| ||
| 556 | W | 81.4 | Confident | 89 | Confident | 45 Ų | 45 | 52.9 Ų | 52.9 | 17% | 0.17 | 27% | 0.271 | C | S | . | . | B | Isolated β-bridge | trans | -76.3 | 146.1 | -177.7 | -57.7 | 134.1 | 0 | 0 | 0 | 112.2 | N554 G558 G560 C730 E732 Y737 | N554-W556 HydrophobicContact CB-CG 4.26Å; N554-W556 VanDerWaalsContact CG-CD1 3.43Å; W556-G558 VanDerWaalsContact C-N 3.34Å; W556-G558 PolarHBondContact O-N 2.6Å; W556-G560 VanDerWaalsContact O-CA 3.24Å; W556-G560 WeakPolarHBondContact O-CA 3.37Å; W556-G560 PolarHBondContact O-N 2.85Å; W556-C730 CarbonylContact C-O 3.53Å; W556-C730 VanDerWaalsContact CA-O 3.31Å; W556-C730 WeakPolarHBondContact CA-O 3.48Å; W556-E732 HydrophobicContact CD2-CB 3.99Å; W556-E732 HydrophobicContact CD2-CG 4.28Å; W556-E732 VanDerWaalsContact CE3-CA 3.48Å; W556-E732 HydrophobicContact CE3-CB 3.97Å; W556-E732 HydrophobicContact CE3-CG 4.48Å; W556-E732 HydrophobicContact CH2-CB 4.21Å; W556-E732 HydrophobicContact CH2-CG 3.92Å; W556-E732 HydrophobicContact CZ2-CB 4.21Å; W556-E732 HydrophobicContact CZ2-CG 3.66Å; W556-E732 HydrophobicContact CZ3-CB 4.11Å; W556-E732 HydrophobicContact CZ3-CG 4.35Å; W556-E732 PolarHBondContact NE1-OE1 2.87Å; W556-Y737 HydrophobicContact CH2-CE2 4.3Å; W556-Y737 AromaticContact CZ2-CE2 3.95Å; W556-Y737 HydrophobicContact CZ2-CE2 3.95Å |
| 557 | R | 71.3 | Confident | 89 | Confident | 94 Ų | 94 | 52.3 Ų | 52.3 | 36% | 0.355 | 27% | 0.268 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -50.3 | -45.9 | -177.2 | -176.4 | 174.5 | 170.6 | 161.6 | 5 | 114.2 | F729 C730 S784 I785 I787 | R557-F729 HydrophobicContact CB-CB 4.43Å; R557-C730 PolarHBondContact N-O 3.03Å; R557-S784 PolarHBondContact NH1-O 3.13Å; R557-I785 WeakPolarHBondContact CD-O 3.25Å; R557-I785 VanDerWaalsContact NH1-C 3.28Å; R557-I785 PolarHBondContact NH1-O 3.46Å; R557-I787 HydrophobicContact CG-CB 4.34Å; R557-I787 HydrophobicContact CG-CD1 3.87Å; R557-I787 HydrophobicContact CG-CG1 4.12Å; R557-I787 VanDerWaalsContact CZ-CG1 3.49Å; R557-I787 VanDerWaalsContact NE-CG1 3.31Å |
| 558 | G | 75.5 | Confident | 89.1 | Confident | 50 Ų | 50 | 52.4 Ų | 52.4 | 52% | 0.515 | 27% | 0.269 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -83.1 | -65.9 | -179.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | W556 G560 Q562 | W556-G558 VanDerWaalsContact C-N 3.34Å; W556-G558 PolarHBondContact O-N 2.6Å; G558-G560 PolarHBondContact O-N 2.76Å; G558-Q562 WeakPolarHBondContact O-CB 3.41Å; G558-Q562 PolarHBondContact O-N 3.08Å |
| 559 | S | 85.4 | Confident | 89.1 | Confident | 42 Ų | 42 | 48.2 Ų | 48.2 | 29% | 0.294 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -70.5 | -33.5 | -172.4 | 48.7 | 0 | 0 | 0 | 0 | 113.5 | N554 N563 | N554-S559 PolarHBondContact ND2-OG 2.67Å; N554-S559 VanDerWaalsContact ND2-OG 3.16Å; N554-S559 PolarHBondContact OD1-OG 3.35Å; S559-N563 WeakPolarHBondContact O-CB 3.33Å; S559-N563 PolarHBondContact O-N 3.49Å; S559-N563 PolarHBondContact O-ND2 2.92Å |
| 560 | G | 87.5 | Confident | 89.1 | Confident | 0 Ų | 0 | 47 Ų | 47 | 0% | 0 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -67.9 | -40.7 | -175.9 | 0 | 0 | 0 | 0 | 0 | 113.9 | N554 W556 G558 R564 | N554-G560 WeakPolarHBondContact O-CA 3.47Å; N554-G560 WeakPolarHBondContact OD1-CA 3.4Å; N554-G560 PolarHBondContact OD1-N 3.16Å; W556-G560 VanDerWaalsContact O-CA 3.24Å; W556-G560 WeakPolarHBondContact O-CA 3.37Å; W556-G560 PolarHBondContact O-N 2.85Å; G558-G560 PolarHBondContact O-N 2.76Å; G560-R564 WeakPolarHBondContact O-CG 3.45Å; G560-R564 PolarHBondContact O-N 2.92Å; G560-R564 PolarHBondContact O-NH1 2.79Å; G560-R564 VanDerWaalsContact O-NH1 3.12Å |
| 561 | I | 89.1 | Confident | 89.1 | Confident | 14 Ų | 14 | 45.5 Ų | 45.5 | 7% | 0.072 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -72.6 | -48.9 | 175.5 | -62.8 | 176.1 | 0 | 0 | 0 | 109.8 | N563 R564 M565 F729 I787 Y792 | I561-N563 VanDerWaalsContact C-N 3.32Å; I561-N563 PolarHBondContact O-N 3.46Å; I561-R564 PolarHBondContact O-N 3.31Å; I561-M565 HydrophobicContact CG2-CG 4.23Å; I561-M565 WeakPolarHBondContact O-CG 3.32Å; I561-M565 PolarHBondContact O-N 3.42Å; I561-F729 HydrophobicContact CD1-CB 4.34Å; I561-F729 HydrophobicContact CD1-CD2 3.73Å; I561-F729 HydrophobicContact CD1-CE2 4.21Å; I561-F729 HydrophobicContact CD1-CG 4.01Å; I561-F729 HydrophobicContact CG1-CB 4.39Å; I561-F729 HydrophobicContact CG1-CD1 3.88Å; I561-F729 HydrophobicContact CG1-CD2 3.56Å; I561-F729 HydrophobicContact CG1-CE1 4Å; I561-F729 HydrophobicContact CG1-CE2 3.69Å; I561-F729 HydrophobicContact CG1-CG 3.67Å; I561-F729 HydrophobicContact CG1-CZ 3.92Å; I561-I787 HydrophobicContact CD1-CG2 4.16Å; I561-Y792 HydrophobicContact CG2-CD1 4.3Å; I561-Y792 HydrophobicContact CG2-CD2 3.8Å; I561-Y792 HydrophobicContact CG2-CE1 4.23Å; I561-Y792 HydrophobicContact CG2-CE2 3.72Å; I561-Y792 HydrophobicContact CG2-CG 4.09Å |
| 562 | Q | 90.8 | Very high | 89.2 | Confident | 127 Ų | 127 | 40.9 Ų | 40.9 | 59% | 0.593 | 21% | 0.211 | S | C | * | . | H | α-helix | trans | -59.1 | -43.3 | -178.4 | -176.3 | 179.3 | -4.6 | 0 | 0 | 111.9 | G558 G566 | G558-Q562 WeakPolarHBondContact O-CB 3.41Å; G558-Q562 PolarHBondContact O-N 3.08Å; Q562-G566 PolarHBondContact O-N 3.08Å |
| 563 | N | 93.5 | Very high | 89.4 | Confident | 52 Ų | 52 | 36.3 Ų | 36.3 | 28% | 0.278 | 19% | 0.186 | S | C | . | . | H | α-helix | trans | -65.5 | -43.7 | -179.7 | -73.4 | -12.5 | 0 | 0 | 0 | 112.1 | Y550 M553 S559 I561 G566 L567 | Y550-N563 HydrophobicContact CD1-CB 3.96Å; Y550-N563 WeakPolarHBondContact CD1-O 3.41Å; Y550-N563 HydrophobicContact CE1-CB 4.09Å; Y550-N563 VanDerWaalsContact CE1-O 3.26Å; Y550-N563 WeakPolarHBondContact CE1-O 3.45Å; M553-N563 HydrophobicContact CG-CB 4.24Å; M553-N563 HydrophobicContact SD-CB 4.02Å; S559-N563 WeakPolarHBondContact O-CB 3.33Å; S559-N563 PolarHBondContact O-N 3.49Å; S559-N563 PolarHBondContact O-ND2 2.92Å; I561-N563 VanDerWaalsContact C-N 3.32Å; I561-N563 PolarHBondContact O-N 3.46Å; N563-G566 PolarHBondContact O-N 3.49Å; N563-L567 WeakPolarHBondContact O-CB 3.47Å; N563-L567 PolarHBondContact O-N 2.73Å |
| 564 | R | 94.1 | Very high | 89.7 | Confident | 5 Ų | 5 | 36.9 Ų | 36.9 | 2% | 0.019 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -62.9 | -47.5 | 176.7 | -78 | 174.3 | 176.1 | 76.6 | 2.8 | 112.1 | M553 N554 G560 I561 G566 L567 F568 E723 | M553-R564 HydrophobicContact CE-CB 4.49Å; M553-R564 HydrophobicContact CE-CG 3.47Å; M553-R564 VanDerWaalsContact CE-CG 3.47Å; M553-R564 PolarHBondContact O-NH2 3Å; M553-R564 HydrophobicContact SD-CB 4.37Å; M553-R564 HydrophobicContact SD-CG 3.66Å; N554-R564 PolarHBondContact O-NH1 3.45Å; G560-R564 WeakPolarHBondContact O-CG 3.45Å; G560-R564 PolarHBondContact O-N 2.92Å; G560-R564 PolarHBondContact O-NH1 2.79Å; G560-R564 VanDerWaalsContact O-NH1 3.12Å; I561-R564 PolarHBondContact O-N 3.31Å; R564-G566 PolarHBondContact O-N 3.42Å; R564-L567 WeakPolarHBondContact O-CB 3.45Å; R564-L567 PolarHBondContact O-N 3.29Å; R564-F568 WeakPolarHBondContact O-CD2 3.25Å; R564-F568 VanDerWaalsContact O-CG 3.25Å; R564-F568 WeakPolarHBondContact O-CG 3.22Å; R564-F568 PolarHBondContact O-N 3.39Å; R564-E723 IonicContact NE-OE1 3.58Å; R564-E723 PolarHBondContact NE-OE1 3.35Å; R564-E723 VanDerWaalsContact NE-OE1 3.1Å |
| 565 | M | 92.8 | Very high | 90.2 | Very high | 7 Ų | 7 | 34.1 Ų | 34.1 | 3% | 0.034 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -64.9 | -40.5 | 178.5 | -66.9 | -56.9 | -62.6 | 0 | 0 | 112.1 | I561 F568 F569 Y692 I716 T720 L724 Y792 | I561-M565 HydrophobicContact CG2-CG 4.23Å; I561-M565 WeakPolarHBondContact O-CG 3.32Å; I561-M565 PolarHBondContact O-N 3.42Å; M565-F568 PolarHBondContact O-N 3.43Å; M565-F568 HydrophobicContact SD-CD2 4.36Å; M565-F569 WeakPolarHBondContact O-CB 3.27Å; M565-F569 PolarHBondContact O-N 2.8Å; M565-Y692 HydrophobicContact CB-CD2 4.05Å; M565-Y692 HydrophobicContact CB-CE2 3.82Å; M565-I716 HydrophobicContact CE-CG2 3.92Å; M565-T720 HydrophobicContact CE-CG2 4.02Å; M565-T720 WeakPolarHBondContact CE-OG1 3.3Å; M565-T720 HydrophobicContact SD-CG2 3.49Å; M565-T720 WeakPolarHBondContact SD-CG2 3.36Å; M565-T720 PolarHBondContact SD-OG1 2.67Å; M565-T720 VanDerWaalsContact SD-OG1 3.36Å; M565-L724 HydrophobicContact SD-CD1 4.18Å; M565-Y792 HydrophobicContact CE-CE1 4.11Å; M565-Y792 HydrophobicContact CG-CE1 3.94Å; M565-Y792 HydrophobicContact SD-CE1 3.82Å |
| 566 | G | 94.3 | Very high | 90.8 | Very high | 2 Ų | 2 | 27.2 Ų | 27.2 | 2% | 0.021 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -60.9 | -44.8 | 174.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | Q562 N563 R564 F568 F569 L570 | Q562-G566 PolarHBondContact O-N 3.08Å; N563-G566 PolarHBondContact O-N 3.49Å; R564-G566 PolarHBondContact O-N 3.42Å; G566-F568 PolarHBondContact O-N 2.96Å; G566-F569 PolarHBondContact O-N 3.22Å; G566-L570 WeakPolarHBondContact O-CB 3.48Å; G566-L570 WeakPolarHBondContact O-CG 3.49Å; G566-L570 PolarHBondContact O-N 3.49Å |
| 567 | L | 95.8 | Very high | 91.4 | Very high | 0 Ų | 0 | 29.3 Ų | 29.3 | 0% | 0 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -58.5 | -48.3 | 175.1 | 174.7 | 66.3 | 0 | 0 | 0 | 111.7 | L546 Y550 M553 N563 R564 T571 T631 T635 L637 | L546-L567 HydrophobicContact CB-CD1 4.46Å; Y550-L567 HydrophobicContact CD1-CB 4.3Å; Y550-L567 HydrophobicContact CD2-CB 4.06Å; Y550-L567 HydrophobicContact CD2-CD1 3.7Å; Y550-L567 HydrophobicContact CD2-CG 4.45Å; Y550-L567 HydrophobicContact CE2-CB 4.26Å; Y550-L567 HydrophobicContact CE2-CD1 4.34Å; Y550-L567 HydrophobicContact CG-CB 4.07Å; Y550-L567 HydrophobicContact CG-CD1 4.14Å; M553-L567 HydrophobicContact CE-CD2 3.82Å; M553-L567 HydrophobicContact SD-CD2 4.15Å; N563-L567 WeakPolarHBondContact O-CB 3.47Å; N563-L567 PolarHBondContact O-N 2.73Å; R564-L567 WeakPolarHBondContact O-CB 3.45Å; R564-L567 PolarHBondContact O-N 3.29Å; L567-T571 VanDerWaalsContact O-CB 3.27Å; L567-T571 WeakPolarHBondContact O-CB 3.39Å; L567-T571 PolarHBondContact O-N 3.14Å; L567-T571 PolarHBondContact O-OG1 2.99Å; L567-T631 HydrophobicContact CD1-CG2 3.86Å; L567-T635 HydrophobicContact CD1-CG2 4.07Å; L567-T635 HydrophobicContact CD2-CG2 3.73Å; L567-L637 HydrophobicContact CD2-CD1 4.21Å |
| 568 | F | 95.7 | Very high | 92.3 | Very high | 2 Ų | 2 | 26 Ų | 26 | 1% | 0.009 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -63.5 | -45.9 | 179.8 | -61.8 | -20 | 0 | 0 | 0 | 112 | R564 M565 G566 C572 L637 W647 L719 E723 | R564-F568 WeakPolarHBondContact O-CD2 3.25Å; R564-F568 VanDerWaalsContact O-CG 3.25Å; R564-F568 WeakPolarHBondContact O-CG 3.22Å; R564-F568 PolarHBondContact O-N 3.39Å; M565-F568 PolarHBondContact O-N 3.43Å; M565-F568 HydrophobicContact SD-CD2 4.36Å; G566-F568 PolarHBondContact O-N 2.96Å; F568-C572 WeakPolarHBondContact O-CB 3.36Å; F568-C572 PolarHBondContact O-N 3.48Å; F568-C572 PolarHBondContact O-SG 3.42Å; F568-L637 HydrophobicContact CE1-CD1 4.16Å; F568-L637 HydrophobicContact CE1-CD2 3.91Å; F568-L637 HydrophobicContact CZ-CD2 3.96Å; F568-W647 HydrophobicContact CD1-CH2 4.41Å; F568-W647 AromaticContact CD1-CZ3 3.7Å; F568-W647 HydrophobicContact CD1-CZ3 3.7Å; F568-W647 HydrophobicContact CE1-CE3 4.44Å; F568-W647 AromaticContact CE1-CZ3 3.74Å; F568-W647 HydrophobicContact CE1-CZ3 3.74Å; F568-L719 HydrophobicContact CB-CB 4.34Å; F568-L719 HydrophobicContact CB-CD1 4.13Å; F568-L719 HydrophobicContact CD1-CB 4.14Å; F568-L719 HydrophobicContact CD1-CD1 4.16Å; F568-L719 HydrophobicContact CD2-CB 3.81Å; F568-L719 HydrophobicContact CE1-CB 4.38Å; F568-L719 HydrophobicContact CE2-CB 4.08Å; F568-L719 WeakPolarHBondContact CE2-O 3.37Å; F568-L719 HydrophobicContact CG-CB 3.84Å; F568-L719 HydrophobicContact CG-CD1 4.19Å; F568-L719 HydrophobicContact CZ-CB 4.34Å; F568-E723 HydrophobicContact CE2-CB 3.85Å; F568-E723 HydrophobicContact CE2-CG 4.23Å; F568-E723 HydrophobicContact CZ-CB 3.55Å; F568-E723 HydrophobicContact CZ-CG 3.75Å |
| 569 | F | 96 | Very high | 93.1 | Very high | 13 Ų | 13 | 23.7 Ų | 23.7 | 6% | 0.057 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -60.4 | -50.9 | 177.8 | 175.1 | -102 | 0 | 0 | 0 | 111.5 | M565 G566 T571 C572 L573 M687 S690 Y692 L693 I716 | M565-F569 WeakPolarHBondContact O-CB 3.27Å; M565-F569 PolarHBondContact O-N 2.8Å; G566-F569 PolarHBondContact O-N 3.22Å; F569-T571 PolarHBondContact O-N 2.91Å; F569-C572 PolarHBondContact O-N 3.47Å; F569-L573 HydrophobicContact CE1-CD2 3.95Å; F569-L573 HydrophobicContact CZ-CD2 4.09Å; F569-L573 WeakPolarHBondContact O-CB 3.44Å; F569-L573 PolarHBondContact O-N 2.87Å; F569-M687 HydrophobicContact CE2-CG 4.1Å; F569-M687 HydrophobicContact CZ-CG 3.68Å; F569-M687 HydrophobicContact CZ-SD 4.42Å; F569-S690 WeakPolarHBondContact CE2-OG 3.24Å; F569-Y692 HydrophobicContact CB-CD1 3.76Å; F569-Y692 HydrophobicContact CB-CD2 4.38Å; F569-Y692 HydrophobicContact CB-CE1 4.19Å; F569-Y692 HydrophobicContact CB-CG 3.87Å; F569-Y692 AromaticContact CD1-CD1 3.54Å; F569-Y692 HydrophobicContact CD1-CD1 3.54Å; F569-Y692 AromaticContact CD1-CE1 3.77Å; F569-Y692 HydrophobicContact CD1-CE1 3.77Å; F569-Y692 HydrophobicContact CD1-CG 4.45Å; F569-Y692 AromaticContact CD2-CD1 3.68Å; F569-Y692 HydrophobicContact CD2-CD1 3.68Å; F569-Y692 AromaticContact CD2-CG 3.96Å; F569-Y692 HydrophobicContact CD2-CG 3.96Å; F569-Y692 AromaticContact CE1-CD1 3.99Å; F569-Y692 HydrophobicContact CE1-CD1 3.99Å; F569-Y692 HydrophobicContact CE1-CE1 4.31Å; F569-Y692 HydrophobicContact CE2-CD1 4.13Å; F569-Y692 AromaticContact CG-CD1 3.35Å; F569-Y692 HydrophobicContact CG-CD1 3.35Å; F569-Y692 AromaticContact CG-CE1 3.96Å; F569-Y692 HydrophobicContact CG-CE1 3.96Å; F569-Y692 AromaticContact CG-CG 3.84Å; F569-Y692 HydrophobicContact CG-CG 3.84Å; F569-Y692 HydrophobicContact CZ-CD1 4.27Å; F569-L693 HydrophobicContact CE1-CD2 4.41Å; F569-L693 HydrophobicContact CE2-CG 4.29Å; F569-L693 HydrophobicContact CZ-CD1 3.99Å; F569-L693 HydrophobicContact CZ-CD2 4.21Å; F569-L693 HydrophobicContact CZ-CG 3.96Å; F569-I716 HydrophobicContact CB-CD1 4.31Å; F569-I716 HydrophobicContact CD2-CD1 3.78Å |
| 570 | L | 95.5 | Very high | 93.5 | Very high | 67 Ų | 67 | 22.5 Ų | 22.5 | 35% | 0.351 | 11% | 0.114 | S | C | . | . | H | α-helix | trans | -65.8 | -38.5 | -178.4 | -70.9 | 174.9 | 0 | 0 | 0 | 112.5 | L546 Y550 G566 L573 H574 | L546-L570 HydrophobicContact CD2-CB 3.97Å; L546-L570 HydrophobicContact CD2-CD1 4.13Å; Y550-L570 HydrophobicContact CE2-CD1 4.09Å; Y550-L570 WeakPolarHBondContact OH-CD1 3.33Å; G566-L570 WeakPolarHBondContact O-CB 3.48Å; G566-L570 WeakPolarHBondContact O-CG 3.49Å; G566-L570 PolarHBondContact O-N 3.49Å; L570-L573 PolarHBondContact O-N 3.39Å; L570-H574 WeakPolarHBondContact O-CB 3.28Å; L570-H574 PolarHBondContact O-N 2.84Å |
| 571 | T | 95.2 | Very high | 93.6 | Very high | 0 Ų | 0 | 25.4 Ų | 25.4 | 0% | 0 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -63.4 | -50.1 | 176.8 | -58.9 | 0 | 0 | 0 | 0 | 111 | L567 F569 L573 H574 L575 L628 W647 | L567-T571 VanDerWaalsContact O-CB 3.27Å; L567-T571 WeakPolarHBondContact O-CB 3.39Å; L567-T571 PolarHBondContact O-N 3.14Å; L567-T571 PolarHBondContact O-OG1 2.99Å; F569-T571 PolarHBondContact O-N 2.91Å; T571-L573 VanDerWaalsContact C-N 3.34Å; T571-L573 PolarHBondContact O-N 3.46Å; T571-H574 PolarHBondContact O-N 3.43Å; T571-L575 WeakPolarHBondContact O-CG 3.24Å; T571-L575 PolarHBondContact O-N 2.87Å; T571-L575 VanDerWaalsContact O-N 3.16Å; T571-L628 HydrophobicContact CG2-CD1 3.79Å; T571-L628 HydrophobicContact CG2-CD2 3.86Å; T571-L628 HydrophobicContact CG2-CG 4.43Å; T571-W647 HydrophobicContact CG2-CH2 3.86Å; T571-W647 HydrophobicContact CG2-CZ2 3.93Å |
| 572 | C | 95.8 | Very high | 93.8 | Very high | 1 Ų | 1 | 25 Ų | 25 | 1% | 0.007 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -63.8 | -39.8 | 178.2 | -70.6 | 0 | 0 | 0 | 0 | 111.9 | F568 F569 L575 L576 L654 L712 I716 | F568-C572 WeakPolarHBondContact O-CB 3.36Å; F568-C572 PolarHBondContact O-N 3.48Å; F568-C572 PolarHBondContact O-SG 3.42Å; F569-C572 PolarHBondContact O-N 3.47Å; C572-L575 PolarHBondContact O-N 3.33Å; C572-L576 PolarHBondContact O-N 3.02Å; C572-L576 VanDerWaalsContact O-N 3.08Å; C572-L654 HydrophobicContact CB-CD2 3.69Å; C572-L712 VanDerWaalsContact C-CD2 3.45Å; C572-L712 HydrophobicContact CB-CD2 3.58Å; C572-L712 WeakPolarHBondContact O-CD2 3.36Å; C572-I716 HydrophobicContact CB-CG1 4.41Å |
| 573 | L | 95.1 | Very high | 93.9 | Very high | 25 Ų | 25 | 19.2 Ų | 19.2 | 13% | 0.131 | 10% | 0.103 | C | C | . | . | H | α-helix | trans | -63.4 | -44.3 | 178.2 | -170.7 | 66.3 | 0 | 0 | 0 | 111.8 | F569 L570 T571 L575 L576 F577 M687 L712 | F569-L573 HydrophobicContact CE1-CD2 3.95Å; F569-L573 HydrophobicContact CZ-CD2 4.09Å; F569-L573 WeakPolarHBondContact O-CB 3.44Å; F569-L573 PolarHBondContact O-N 2.87Å; L570-L573 PolarHBondContact O-N 3.39Å; T571-L573 VanDerWaalsContact C-N 3.34Å; T571-L573 PolarHBondContact O-N 3.46Å; L573-L575 PolarHBondContact O-N 2.81Å; L573-L576 WeakPolarHBondContact O-CB 3.43Å; L573-L576 PolarHBondContact O-N 3.26Å; L573-F577 HydrophobicContact CD1-CD2 3.98Å; L573-F577 HydrophobicContact CD1-CE2 3.62Å; L573-F577 HydrophobicContact CG-CD2 3.99Å; L573-F577 HydrophobicContact CG-CE2 3.98Å; L573-F577 WeakPolarHBondContact O-CD2 3.28Å; L573-F577 PolarHBondContact O-N 3.25Å; L573-F577 VanDerWaalsContact O-N 3.09Å; L573-M687 HydrophobicContact CD1-CB 3.96Å; L573-M687 HydrophobicContact CD1-CG 3.69Å; L573-M687 HydrophobicContact CD1-SD 3.89Å; L573-M687 HydrophobicContact CD2-CG 4.49Å; L573-M687 HydrophobicContact CD2-SD 4.03Å; L573-L712 HydrophobicContact CD1-CD1 4.01Å |
| 574 | H | 93.9 | Very high | 93.7 | Very high | 25 Ų | 25 | 19.3 Ų | 19.3 | 12% | 0.116 | 10% | 0.102 | C | C | . | . | H | α-helix | trans | -58.5 | -46.7 | 175.8 | 172.6 | 50.5 | 0 | 0 | 0 | 111.7 | Q539 I542 L570 T571 L576 F577 I578 | Q539-H574 PolarHBondContact NE2-CD2 2.86Å; Q539-H574 PolarHBondContact NE2-NE2 3.29Å; Q539-H574 PolarHBondContact OE1-CE1 2.91Å; Q539-H574 PolarHBondContact OE1-NE2 3.23Å; I542-H574 WeakPolarHBondContact CD1-CE1 3.25Å; I542-H574 HydrophobicContact CG2-CB 4.49Å; L570-H574 WeakPolarHBondContact O-CB 3.28Å; L570-H574 PolarHBondContact O-N 2.84Å; T571-H574 PolarHBondContact O-N 3.43Å; H574-L576 VanDerWaalsContact C-N 3.27Å; H574-L576 PolarHBondContact O-N 2.88Å; H574-F577 PolarHBondContact O-N 3.37Å; H574-I578 WeakPolarHBondContact O-CB 3.14Å; H574-I578 WeakPolarHBondContact O-CG2 3.44Å; H574-I578 PolarHBondContact O-N 3.43Å |
| 575 | L | 94.1 | Very high | 93.4 | Very high | 1 Ų | 1 | 20.2 Ų | 20.2 | 1% | 0.005 | 11% | 0.108 | C | C | . | . | H | α-helix | trans | -61.2 | -33.8 | 176.9 | -69.6 | 176.4 | 0 | 0 | 0 | 113.2 | T571 C572 L573 I578 S579 A624 L628 I651 L654 | T571-L575 WeakPolarHBondContact O-CG 3.24Å; T571-L575 PolarHBondContact O-N 2.87Å; T571-L575 VanDerWaalsContact O-N 3.16Å; C572-L575 PolarHBondContact O-N 3.33Å; L573-L575 PolarHBondContact O-N 2.81Å; L575-I578 WeakPolarHBondContact O-CG2 3.36Å; L575-S579 PolarHBondContact O-N 2.59Å; L575-S579 PolarHBondContact O-OG 3Å; L575-A624 HydrophobicContact CD2-CB 3.92Å; L575-L628 HydrophobicContact CD1-CD1 3.68Å; L575-L628 HydrophobicContact CD2-CD1 3.73Å; L575-L628 HydrophobicContact CG-CD1 3.92Å; L575-I651 HydrophobicContact CD1-CB 3.73Å; L575-I651 HydrophobicContact CD1-CG2 3.97Å; L575-L654 HydrophobicContact CB-CD2 4.23Å; L575-L654 HydrophobicContact CD1-CD2 4.18Å |
| 576 | L | 94.5 | Very high | 93.2 | Very high | 0 Ų | 0 | 20.1 Ų | 20.1 | 0% | 0 | 11% | 0.107 | C | C | . | . | H | α-helix | trans | -65.8 | -54.1 | 174.9 | -173.5 | 67.7 | 0 | 0 | 0 | 111.1 | C572 L573 H574 S579 A658 F683 M686 I711 L712 | C572-L576 PolarHBondContact O-N 3.02Å; C572-L576 VanDerWaalsContact O-N 3.08Å; L573-L576 WeakPolarHBondContact O-CB 3.43Å; L573-L576 PolarHBondContact O-N 3.26Å; H574-L576 VanDerWaalsContact C-N 3.27Å; H574-L576 PolarHBondContact O-N 2.88Å; L576-S579 WeakPolarHBondContact O-CB 3.3Å; L576-S579 PolarHBondContact O-N 2.96Å; L576-A658 HydrophobicContact CD1-CB 3.83Å; L576-F683 HydrophobicContact CD1-CD1 3.66Å; L576-F683 HydrophobicContact CD1-CE1 3.52Å; L576-F683 HydrophobicContact CD1-CE2 4.46Å; L576-F683 HydrophobicContact CD1-CG 4.2Å; L576-F683 HydrophobicContact CD1-CZ 3.95Å; L576-F683 HydrophobicContact CD2-CB 3.8Å; L576-F683 HydrophobicContact CD2-CD1 3.89Å; L576-F683 HydrophobicContact CD2-CD2 4.46Å; L576-F683 HydrophobicContact CD2-CG 3.82Å; L576-F683 HydrophobicContact CG-CB 4.23Å; L576-F683 HydrophobicContact CG-CD1 3.72Å; L576-F683 HydrophobicContact CG-CD2 3.96Å; L576-F683 HydrophobicContact CG-CE1 3.95Å; L576-F683 HydrophobicContact CG-CE2 4.18Å; L576-F683 HydrophobicContact CG-CG 3.72Å; L576-F683 HydrophobicContact CG-CZ 4.17Å; L576-F683 WeakPolarHBondContact O-CE2 3.39Å; L576-M686 HydrophobicContact CD2-CB 4.35Å; L576-I711 HydrophobicContact CD1-CD1 3.76Å; L576-I711 HydrophobicContact CD1-CG1 4.28Å; L576-L712 HydrophobicContact CB-CD2 4.33Å; L576-L712 HydrophobicContact CD2-CD1 3.6Å; L576-L712 HydrophobicContact CD2-CD2 4.4Å; L576-L712 HydrophobicContact CD2-CG 3.96Å |
| 577 | F | 93.1 | Very high | 93 | Very high | 88 Ų | 88 | 21.3 Ų | 21.3 | 39% | 0.386 | 11% | 0.113 | S | C | . | . | H | α-helix | trans | -68.8 | -39.2 | -175.7 | -83 | -76.4 | 0 | 0 | 0 | 113.2 | L573 H574 S579 G580 F683 | L573-F577 HydrophobicContact CD1-CD2 3.98Å; L573-F577 HydrophobicContact CD1-CE2 3.62Å; L573-F577 HydrophobicContact CG-CD2 3.99Å; L573-F577 HydrophobicContact CG-CE2 3.98Å; L573-F577 WeakPolarHBondContact O-CD2 3.28Å; L573-F577 PolarHBondContact O-N 3.25Å; L573-F577 VanDerWaalsContact O-N 3.09Å; H574-F577 PolarHBondContact O-N 3.37Å; F577-S579 PolarHBondContact O-N 2.71Å; F577-G580 PolarHBondContact O-N 3.27Å; F577-F683 HydrophobicContact CD1-CD2 4.13Å; F577-F683 HydrophobicContact CE1-CB 4.16Å; F577-F683 HydrophobicContact CE1-CD2 4.31Å; F577-F683 HydrophobicContact CZ-CB 4.16Å |
| 578 | I | 91.3 | Very high | 92.7 | Very high | 26 Ų | 26 | 28.1 Ų | 28.1 | 13% | 0.133 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -64.4 | -27.4 | 178.5 | -161.6 | 63.3 | 0 | 0 | 0 | 111.7 | V538 H574 L575 G580 K620 | V538-I578 HydrophobicContact CG1-CD1 4.39Å; H574-I578 WeakPolarHBondContact O-CB 3.14Å; H574-I578 WeakPolarHBondContact O-CG2 3.44Å; H574-I578 PolarHBondContact O-N 3.43Å; L575-I578 WeakPolarHBondContact O-CG2 3.36Å; I578-G580 PolarHBondContact O-N 3.39Å; I578-K620 PolarHBondContact O-NZ 3.37Å |
| 579 | S | 92.4 | Very high | 92.3 | Very high | 0 Ų | 0 | 29.5 Ų | 29.5 | 0% | 0 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -66.8 | -23.1 | 175.6 | -62.9 | 0 | 0 | 0 | 0 | 112.4 | L575 L576 F577 T581 L582 A658 | L575-S579 PolarHBondContact O-N 2.59Å; L575-S579 PolarHBondContact O-OG 3Å; L576-S579 WeakPolarHBondContact O-CB 3.3Å; L576-S579 PolarHBondContact O-N 2.96Å; F577-S579 PolarHBondContact O-N 2.71Å; S579-T581 PolarHBondContact O-N 2.84Å; S579-T581 VanDerWaalsContact O-N 3.1Å; S579-L582 WeakPolarHBondContact O-CB 3.5Å; S579-L582 PolarHBondContact O-N 3.3Å; S579-L582 VanDerWaalsContact O-N 3.11Å; S579-A658 WeakPolarHBondContact OG-CB 3.39Å |
| 580 | G | 92.3 | Very high | 92 | Very high | 18 Ų | 18 | 30.9 Ų | 30.9 | 19% | 0.186 | 16% | 0.155 | C | C | . | . | G | 310 helix | trans | -61.9 | -19.5 | 180 | 0 | 0 | 0 | 0 | 0 | 114.9 | F577 I578 L582 L583 | F577-G580 PolarHBondContact O-N 3.27Å; I578-G580 PolarHBondContact O-N 3.39Å; G580-L582 PolarHBondContact O-N 2.88Å; G580-L583 VanDerWaalsContact O-CB 3.24Å; G580-L583 WeakPolarHBondContact O-CB 3.44Å; G580-L583 PolarHBondContact O-N 3.46Å; G580-L583 VanDerWaalsContact O-N 3.12Å |
| 581 | T | 90.5 | Very high | 91.7 | Very high | 61 Ų | 61 | 32.5 Ų | 32.5 | 37% | 0.374 | 16% | 0.163 | S | C | . | . | G | 310 helix | trans | -68.2 | -15 | 176.6 | 78.7 | 0 | 0 | 0 | 0 | 113.3 | H535 S579 L583 K620 | H535-T581 PolarHBondContact CE1-OG1 2.95Å; S579-T581 PolarHBondContact O-N 2.84Å; S579-T581 VanDerWaalsContact O-N 3.1Å; T581-L583 PolarHBondContact O-N 3.33Å; T581-K620 PolarHBondContact OG1-NZ 2.95Å |
| 582 | L | 92.3 | Very high | 91.5 | Very high | 5 Ų | 5 | 33.7 Ų | 33.7 | 3% | 0.026 | 17% | 0.169 | C | C | . | . | G | 310 helix | trans | -71.5 | -10 | 173.5 | -71.3 | 170.9 | 0 | 0 | 0 | 113.2 | S579 G580 E584 V585 D615 V616 K620 S659 T662 F663 | S579-L582 WeakPolarHBondContact O-CB 3.5Å; S579-L582 PolarHBondContact O-N 3.3Å; S579-L582 VanDerWaalsContact O-N 3.11Å; G580-L582 PolarHBondContact O-N 2.88Å; L582-E584 PolarHBondContact O-N 3.2Å; L582-E584 VanDerWaalsContact O-N 3.15Å; L582-V585 HydrophobicContact CD2-CG2 4.07Å; L582-V585 WeakPolarHBondContact O-CB 3.46Å; L582-V585 WeakPolarHBondContact O-CG2 3.48Å; L582-V585 PolarHBondContact O-N 2.96Å; L582-V585 VanDerWaalsContact O-N 3.13Å; L582-D615 HydrophobicContact CD2-CB 4.17Å; L582-V616 HydrophobicContact CD1-CG2 4.2Å; L582-K620 HydrophobicContact CD1-CG 4.03Å; L582-K620 HydrophobicContact CG-CG 4.45Å; L582-S659 VanDerWaalsContact CD1-CB 3.44Å; L582-S659 VanDerWaalsContact CD1-OG 3.27Å; L582-S659 WeakPolarHBondContact CD1-OG 3.13Å; L582-T662 HydrophobicContact CB-CG2 3.88Å; L582-F663 HydrophobicContact CB-CE1 4.23Å; L582-F663 HydrophobicContact CD2-CE1 4.48Å; L582-F663 HydrophobicContact CD2-CZ 4.44Å |
| 583 | L | 93.6 | Very high | 91.4 | Very high | 5 Ų | 5 | 34 Ų | 34 | 3% | 0.026 | 17% | 0.17 | C | C | . | . | G | 310 helix | trans | -57 | -32.8 | -179.1 | 179.9 | 67.7 | 0 | 0 | 0 | 112.1 | G580 T581 V585 L587 T662 V665 S666 G675 S676 L679 | G580-L583 VanDerWaalsContact O-CB 3.24Å; G580-L583 WeakPolarHBondContact O-CB 3.44Å; G580-L583 PolarHBondContact O-N 3.46Å; G580-L583 VanDerWaalsContact O-N 3.12Å; T581-L583 PolarHBondContact O-N 3.33Å; L583-V585 VanDerWaalsContact C-N 3.31Å; L583-V585 PolarHBondContact O-N 3.34Å; L583-L587 HydrophobicContact CG-CD1 4.19Å; L583-L587 WeakPolarHBondContact O-CD1 3.41Å; L583-T662 HydrophobicContact CB-CG2 3.91Å; L583-V665 HydrophobicContact CD1-CB 4.33Å; L583-V665 HydrophobicContact CD1-CG1 3.96Å; L583-S666 WeakPolarHBondContact O-CB 3.33Å; L583-S666 PolarHBondContact O-OG 3.46Å; L583-G675 VanDerWaalsContact CD2-C 3.4Å; L583-S676 VanDerWaalsContact CD2-N 3.34Å; L583-S676 WeakPolarHBondContact CD2-OG 3.35Å; L583-L679 HydrophobicContact CB-CD2 4.45Å |
| 584 | E | 89.5 | Confident | 91.1 | Very high | 54 Ų | 54 | 35 Ų | 35 | 25% | 0.252 | 18% | 0.178 | S | C | . | . | H | α-helix | trans | -75.4 | -16.4 | -176.5 | -61.5 | -167.8 | 157.7 | 0 | 0 | 114 | L582 L587 K588 R672 | L582-E584 PolarHBondContact O-N 3.2Å; L582-E584 VanDerWaalsContact O-N 3.15Å; E584-L587 PolarHBondContact O-N 2.95Å; E584-K588 HydrophobicContact CB-CD 4.13Å; E584-K588 HydrophobicContact CB-CG 4.46Å; E584-K588 WeakPolarHBondContact O-CB 3.14Å; E584-K588 WeakPolarHBondContact O-CG 3.31Å; E584-K588 PolarHBondContact O-N 3.36Å; E584-K588 VanDerWaalsContact OE2-CE 3.24Å; E584-K588 WeakPolarHBondContact OE2-CE 3.42Å; E584-K588 IonicContact OE2-NZ 3.36Å; E584-K588 PolarHBondContact OE2-NZ 3.12Å; E584-R672 HydrophobicContact CG-CG 4.42Å; E584-R672 WeakPolarHBondContact OE1-CD 3.25Å; E584-R672 IonicContact OE1-CZ 3.71Å; E584-R672 IonicContact OE1-NE 3.39Å; E584-R672 IonicContact OE1-NH1 3.38Å; E584-R672 PolarHBondContact OE1-NH1 3.47Å |
| 585 | V | 87.6 | Confident | 90.9 | Very high | 25 Ų | 25 | 34.6 Ų | 34.6 | 15% | 0.152 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -60.7 | -57.3 | -170.4 | 172.9 | 0 | 0 | 0 | 0 | 112.2 | L582 L583 L587 D589 K611 D615 F663 | L582-V585 HydrophobicContact CD2-CG2 4.07Å; L582-V585 WeakPolarHBondContact O-CB 3.46Å; L582-V585 WeakPolarHBondContact O-CG2 3.48Å; L582-V585 PolarHBondContact O-N 2.96Å; L582-V585 VanDerWaalsContact O-N 3.13Å; L583-V585 VanDerWaalsContact C-N 3.31Å; L583-V585 PolarHBondContact O-N 3.34Å; V585-L587 VanDerWaalsContact C-N 3.33Å; V585-D589 PolarHBondContact O-N 2.93Å; V585-K611 HydrophobicContact CG1-CD 3.95Å; V585-D615 WeakPolarHBondContact CG1-OD2 3.5Å; V585-F663 HydrophobicContact CB-CE1 4.12Å; V585-F663 HydrophobicContact CG1-CE1 4.21Å; V585-F663 HydrophobicContact CG2-CE1 4.41Å |
| 586 | F | 88.9 | Confident | 90.7 | Very high | 5 Ų | 5 | 35.3 Ų | 35.3 | 2% | 0.022 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -76.5 | -22 | 179.4 | -66.5 | -58.6 | 0 | 0 | 0 | 113.2 | R590 Y607 F608 K611 F663 S666 L828 | F586-R590 WeakPolarHBondContact O-CB 3.28Å; F586-R590 PolarHBondContact O-N 3.45Å; F586-Y607 AromaticContact CD1-CE1 3.85Å; F586-Y607 HydrophobicContact CD1-CE1 3.85Å; F586-Y607 HydrophobicContact CE1-CD1 4.34Å; F586-Y607 AromaticContact CE1-CE1 3.57Å; F586-Y607 HydrophobicContact CE1-CE1 3.57Å; F586-F608 HydrophobicContact CE1-CD2 4.48Å; F586-F608 HydrophobicContact CE2-CD2 4.42Å; F586-F608 HydrophobicContact CE2-CE2 4.2Å; F586-F608 AromaticContact CZ-CD2 3.72Å; F586-F608 HydrophobicContact CZ-CD2 3.72Å; F586-F608 AromaticContact CZ-CE2 3.94Å; F586-F608 HydrophobicContact CZ-CE2 3.94Å; F586-K611 HydrophobicContact CE1-CB 4.17Å; F586-K611 HydrophobicContact CE1-CG 3.97Å; F586-K611 HydrophobicContact CZ-CB 4.19Å; F586-K611 HydrophobicContact CZ-CG 4.5Å; F586-F663 HydrophobicContact CD2-CB 4.46Å; F586-F663 AromaticContact CD2-CD1 3.8Å; F586-F663 HydrophobicContact CD2-CD1 3.8Å; F586-F663 HydrophobicContact CD2-CE1 4.44Å; F586-F663 HydrophobicContact CD2-CG 4.38Å; F586-F663 HydrophobicContact CE2-CB 3.88Å; F586-F663 AromaticContact CE2-CD1 3.42Å; F586-F663 HydrophobicContact CE2-CD1 3.42Å; F586-F663 VanDerWaalsContact CE2-CD1 3.42Å; F586-F663 HydrophobicContact CE2-CD2 4.43Å; F586-F663 HydrophobicContact CE2-CE1 4.01Å; F586-F663 AromaticContact CE2-CG 3.67Å; F586-F663 HydrophobicContact CE2-CG 3.67Å; F586-F663 HydrophobicContact CZ-CD1 4.31Å; F586-S666 WeakPolarHBondContact CB-OG 3.35Å; F586-S666 PolarHBondContact N-OG 3.33Å; F586-L828 HydrophobicContact CD1-CD1 4.44Å; F586-L828 HydrophobicContact CD1-CD2 4.37Å; F586-L828 HydrophobicContact CE1-CD1 4.02Å; F586-L828 HydrophobicContact CE2-CD1 4.29Å; F586-L828 HydrophobicContact CZ-CD1 3.95Å |
| 587 | L | 90.4 | Very high | 90.3 | Very high | 27 Ų | 27 | 35.9 Ų | 35.9 | 14% | 0.141 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -70.5 | -48.6 | 178.1 | -68.8 | 175.2 | 0 | 0 | 0 | 111.1 | L583 E584 V585 V669 R672 | L583-L587 HydrophobicContact CG-CD1 4.19Å; L583-L587 WeakPolarHBondContact O-CD1 3.41Å; E584-L587 PolarHBondContact O-N 2.95Å; V585-L587 VanDerWaalsContact C-N 3.33Å; L587-V669 WeakPolarHBondContact CD2-O 3.36Å; L587-R672 HydrophobicContact CD1-CB 4.02Å; L587-R672 HydrophobicContact CD1-CG 4.42Å |
| 588 | K | 88.3 | Confident | 89.8 | Confident | 142 Ų | 142 | 32.4 Ų | 32.4 | 62% | 0.617 | 17% | 0.169 | S | C | * | . | H | α-helix | trans | -66.9 | -44 | 179.3 | -75.6 | 177.3 | 168.5 | 169.9 | 0 | 112 | E584 R590 | E584-K588 HydrophobicContact CB-CD 4.13Å; E584-K588 HydrophobicContact CB-CG 4.46Å; E584-K588 WeakPolarHBondContact O-CB 3.14Å; E584-K588 WeakPolarHBondContact O-CG 3.31Å; E584-K588 PolarHBondContact O-N 3.36Å; E584-K588 VanDerWaalsContact OE2-CE 3.24Å; E584-K588 WeakPolarHBondContact OE2-CE 3.42Å; E584-K588 IonicContact OE2-NZ 3.36Å; E584-K588 PolarHBondContact OE2-NZ 3.12Å; K588-R590 VanDerWaalsContact C-N 3.25Å; K588-R590 PolarHBondContact O-N 3.31Å |
| 589 | D | 88.6 | Confident | 89.3 | Confident | 31 Ų | 31 | 31.5 Ų | 31.5 | 17% | 0.166 | 17% | 0.165 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -84.6 | 3 | -174.7 | -68.3 | -5.3 | 0 | 0 | 0 | 113.3 | V585 L591 I592 F593 K611 | V585-D589 PolarHBondContact O-N 2.93Å; D589-L591 PolarHBondContact O-N 3.44Å; D589-I592 PolarHBondContact O-N 3.06Å; D589-F593 WeakPolarHBondContact O-CB 3.2Å; D589-F593 PolarHBondContact O-N 2.75Å; D589-K611 VanDerWaalsContact OD2-CE 3.3Å; D589-K611 WeakPolarHBondContact OD2-CE 3.43Å; D589-K611 IonicContact OD2-NZ 2.69Å; D589-K611 PolarHBondContact OD2-NZ 2.9Å |
| 590 | R | 89.9 | Confident | 88.9 | Confident | 43 Ų | 43 | 33.7 Ų | 33.7 | 16% | 0.162 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -58.5 | -46.7 | -171.6 | -173.7 | 167.4 | -69.4 | -164.9 | -1.9 | 113.4 | F586 K588 F593 V594 S666 V669 N670 | F586-R590 WeakPolarHBondContact O-CB 3.28Å; F586-R590 PolarHBondContact O-N 3.45Å; K588-R590 VanDerWaalsContact C-N 3.25Å; K588-R590 PolarHBondContact O-N 3.31Å; R590-F593 PolarHBondContact O-N 2.99Å; R590-V594 HydrophobicContact CG-CG2 4.4Å; R590-V594 WeakPolarHBondContact O-CG2 3.43Å; R590-V594 PolarHBondContact O-N 3.29Å; R590-S666 PolarHBondContact NH2-O 2.94Å; R590-S666 VanDerWaalsContact NH2-O 3.16Å; R590-V669 PolarHBondContact NH1-O 2.93Å; R590-V669 PolarHBondContact NH2-O 3.05Å; R590-N670 PolarHBondContact NH1-OD1 2.7Å |
| 591 | L | 88.7 | Confident | 88.6 | Confident | 101 Ų | 101 | 32.9 Ų | 32.9 | 53% | 0.529 | 18% | 0.179 | S | C | . | . | H | α-helix | trans | -64.7 | -44.2 | -177.5 | -66.4 | 173.8 | 0 | 0 | 0 | 110.8 | I116 D589 V594 H595 | I116-L591 HydrophobicContact CD1-CB 4.42Å; D589-L591 PolarHBondContact O-N 3.44Å; L591-V594 PolarHBondContact O-N 3.42Å; L591-H595 WeakPolarHBondContact O-CB 3.5Å; L591-H595 PolarHBondContact O-N 3.3Å |
| 592 | I | 91.6 | Very high | 88.7 | Confident | 24 Ų | 24 | 30.5 Ų | 30.5 | 12% | 0.123 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -59.3 | -50.2 | 174.2 | -61.8 | 170.5 | 0 | 0 | 0 | 109.9 | I116 M118 D589 V594 H595 E596 | I116-I592 HydrophobicContact CG2-CB 4.16Å; I116-I592 HydrophobicContact CG2-CG1 3.72Å; M118-I592 HydrophobicContact SD-CD1 4.18Å; D589-I592 PolarHBondContact O-N 3.06Å; I592-V594 PolarHBondContact O-N 3.4Å; I592-H595 PolarHBondContact O-N 2.97Å; I592-E596 VanDerWaalsContact CG2-CD 3.43Å; I592-E596 HydrophobicContact CG2-CG 4.07Å; I592-E596 WeakPolarHBondContact CG2-OE1 3.4Å; I592-E596 WeakPolarHBondContact O-CB 3.33Å; I592-E596 WeakPolarHBondContact O-CG 3.2Å; I592-E596 PolarHBondContact O-N 3.02Å |
| 593 | F | 92.3 | Very high | 88.5 | Confident | 7 Ų | 7 | 36.1 Ų | 36.1 | 3% | 0.031 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -58 | -46.9 | 179.9 | 167.3 | -102.8 | 0 | 0 | 0 | 112.7 | D589 R590 T597 Y602 I604 Y607 L828 I831 | D589-F593 WeakPolarHBondContact O-CB 3.2Å; D589-F593 PolarHBondContact O-N 2.75Å; R590-F593 PolarHBondContact O-N 2.99Å; F593-T597 WeakPolarHBondContact CE2-OG1 3.22Å; F593-T597 WeakPolarHBondContact O-CB 3.38Å; F593-T597 PolarHBondContact O-N 2.97Å; F593-T597 PolarHBondContact O-OG1 2.85Å; F593-Y602 HydrophobicContact CD2-CE2 4.3Å; F593-Y602 HydrophobicContact CE2-CE2 4.5Å; F593-I604 HydrophobicContact CE2-CG1 4.42Å; F593-I604 HydrophobicContact CE2-CG2 4.45Å; F593-I604 HydrophobicContact CZ-CD1 4.45Å; F593-I604 HydrophobicContact CZ-CG1 4.13Å; F593-I604 HydrophobicContact CZ-CG2 4.17Å; F593-Y607 HydrophobicContact CB-CE1 4.36Å; F593-Y607 AromaticContact CD2-CD1 3.39Å; F593-Y607 HydrophobicContact CD2-CD1 3.39Å; F593-Y607 HydrophobicContact CD2-CD2 4.2Å; F593-Y607 AromaticContact CD2-CE1 3.44Å; F593-Y607 HydrophobicContact CD2-CE1 3.44Å; F593-Y607 VanDerWaalsContact CD2-CE1 3.44Å; F593-Y607 HydrophobicContact CD2-CE2 4.27Å; F593-Y607 AromaticContact CD2-CG 3.79Å; F593-Y607 HydrophobicContact CD2-CG 3.79Å; F593-Y607 AromaticContact CD2-CZ 3.92Å; F593-Y607 AromaticContact CE2-CD1 3.52Å; F593-Y607 HydrophobicContact CE2-CD1 3.52Å; F593-Y607 AromaticContact CE2-CE1 3.96Å; F593-Y607 HydrophobicContact CE2-CE1 3.96Å; F593-Y607 HydrophobicContact CE2-CG 4.01Å; F593-Y607 HydrophobicContact CG-CD1 4.38Å; F593-Y607 HydrophobicContact CG-CE1 4.02Å; F593-L828 HydrophobicContact CD1-CD2 4.22Å; F593-L828 HydrophobicContact CE1-CD2 3.7Å; F593-L828 HydrophobicContact CE2-CD2 4.38Å; F593-L828 HydrophobicContact CZ-CD2 3.79Å; F593-I831 HydrophobicContact CE1-CD1 4.2Å |
| 594 | V | 89.6 | Confident | 88.5 | Confident | 47 Ų | 47 | 36.4 Ų | 36.4 | 29% | 0.285 | 19% | 0.186 | S | C | . | . | H | α-helix | trans | -64.4 | -44.5 | 179.6 | 171.6 | 0 | 0 | 0 | 0 | 110.4 | R590 L591 I592 S598 I831 | R590-V594 HydrophobicContact CG-CG2 4.4Å; R590-V594 WeakPolarHBondContact O-CG2 3.43Å; R590-V594 PolarHBondContact O-N 3.29Å; L591-V594 PolarHBondContact O-N 3.42Å; I592-V594 PolarHBondContact O-N 3.4Å; V594-S598 WeakPolarHBondContact O-CB 3.43Å; V594-S598 PolarHBondContact O-N 3.43Å; V594-S598 PolarHBondContact O-OG 2.78Å; V594-I831 HydrophobicContact CG2-CG2 3.96Å |
| 595 | H | 89.2 | Confident | 88.7 | Confident | 16 Ų | 16 | 35.7 Ų | 35.7 | 7% | 0.074 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -63.2 | -53.3 | 178.4 | -179 | 67.5 | 0 | 0 | 0 | 112 | Y110 I116 E186 L591 I592 T597 S598 T599 | Y110-H595 PolarHBondContact O-CE1 2.83Å; I116-H595 HydrophobicContact CD1-CB 3.8Å; I116-H595 HydrophobicContact CG2-CB 4.08Å; E186-H595 IonicContact OE1-CE1 2.76Å; E186-H595 IonicContact OE1-NE2 3.96Å; E186-H595 PolarHBondContact OE1-NE2 2.83Å; L591-H595 WeakPolarHBondContact O-CB 3.5Å; L591-H595 PolarHBondContact O-N 3.3Å; I592-H595 PolarHBondContact O-N 2.97Å; H595-T597 VanDerWaalsContact C-N 3.32Å; H595-T597 PolarHBondContact O-N 2.9Å; H595-S598 PolarHBondContact O-N 3.37Å; H595-S598 PolarHBondContact O-OG 3.25Å; H595-T599 WeakPolarHBondContact O-CG2 3.37Å; H595-T599 PolarHBondContact O-N 3.06Å; H595-T599 PolarHBondContact O-OG1 3.13Å |
| 596 | E | 90 | Very high | 89 | Confident | 16 Ų | 16 | 34.5 Ų | 34.5 | 8% | 0.075 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -63 | -35.9 | -179 | -69.5 | -177.7 | 164.2 | 0 | 0 | 112.2 | R520 I592 T599 G600 F601 Y602 | R520-E596 IonicContact CZ-OE1 2.81Å; R520-E596 IonicContact CZ-OE2 3.81Å; R520-E596 IonicContact NH1-OE1 2.69Å; R520-E596 PolarHBondContact NH1-OE1 2.85Å; R520-E596 IonicContact NH1-OE2 3.51Å; R520-E596 PolarHBondContact NH1-OE2 3.39Å; R520-E596 VanDerWaalsContact NH1-OE2 3.12Å; R520-E596 IonicContact NH2-OE1 3.5Å; R520-E596 IonicContact NH2-OE2 3.95Å; R520-E596 PolarHBondContact NH2-OE2 2.88Å; I592-E596 VanDerWaalsContact CG2-CD 3.43Å; I592-E596 HydrophobicContact CG2-CG 4.07Å; I592-E596 WeakPolarHBondContact CG2-OE1 3.4Å; I592-E596 WeakPolarHBondContact O-CB 3.33Å; I592-E596 WeakPolarHBondContact O-CG 3.2Å; I592-E596 PolarHBondContact O-N 3.02Å; E596-T599 VanDerWaalsContact CA-OG1 3.31Å; E596-T599 WeakPolarHBondContact CA-OG1 3.2Å; E596-T599 PolarHBondContact O-OG1 3.49Å; E596-G600 PolarHBondContact O-N 3.37Å; E596-F601 HydrophobicContact CB-CB 4.24Å; E596-F601 HydrophobicContact CB-CD2 4.38Å; E596-F601 HydrophobicContact CB-CG 4.18Å; E596-F601 HydrophobicContact CG-CD1 4.38Å; E596-F601 HydrophobicContact CG-CG 4.41Å; E596-F601 PolarHBondContact O-N 3.09Å; E596-Y602 HydrophobicContact CB-CE1 3.89Å; E596-Y602 WeakPolarHBondContact OE2-CE1 3.49Å; E596-Y602 PolarHBondContact OE2-OH 3Å |
| 597 | T | 86.8 | Confident | 89.2 | Confident | 13 Ų | 13 | 34.5 Ų | 34.5 | 8% | 0.08 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -75.9 | -34.7 | 177.1 | -54.1 | 0 | 0 | 0 | 0 | 112 | F593 H595 G600 I604 | F593-T597 WeakPolarHBondContact CE2-OG1 3.22Å; F593-T597 WeakPolarHBondContact O-CB 3.38Å; F593-T597 PolarHBondContact O-N 2.97Å; F593-T597 PolarHBondContact O-OG1 2.85Å; H595-T597 VanDerWaalsContact C-N 3.32Å; H595-T597 PolarHBondContact O-N 2.9Å; T597-G600 PolarHBondContact O-N 2.89Å; T597-I604 HydrophobicContact CG2-CD1 4.33Å; T597-I604 HydrophobicContact CG2-CG1 3.91Å |
| 598 | S | 81.4 | Confident | 89.4 | Confident | 14 Ų | 14 | 34 Ų | 34 | 10% | 0.098 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -71.2 | -33.5 | 178.3 | 75 | 0 | 0 | 0 | 0 | 112.8 | V594 H595 | V594-S598 WeakPolarHBondContact O-CB 3.43Å; V594-S598 PolarHBondContact O-N 3.43Å; V594-S598 PolarHBondContact O-OG 2.78Å; H595-S598 PolarHBondContact O-N 3.37Å; H595-S598 PolarHBondContact O-OG 3.25Å |
| 599 | T | 82.4 | Confident | 89.7 | Confident | 7 Ų | 7 | 30.3 Ų | 30.3 | 4% | 0.043 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -77.5 | -29.5 | 173.2 | 47.7 | 0 | 0 | 0 | 0 | 112 | H595 E596 F601 | H595-T599 WeakPolarHBondContact O-CG2 3.37Å; H595-T599 PolarHBondContact O-N 3.06Å; H595-T599 PolarHBondContact O-OG1 3.13Å; E596-T599 VanDerWaalsContact CA-OG1 3.31Å; E596-T599 WeakPolarHBondContact CA-OG1 3.2Å; E596-T599 PolarHBondContact O-OG1 3.49Å; T599-F601 WeakPolarHBondContact OG1-CD2 3.43Å; T599-F601 VanDerWaalsContact OG1-CE2 3.27Å; T599-F601 WeakPolarHBondContact OG1-CE2 3.34Å |
| 600 | G | 82.5 | Confident | 90 | Very high | 46 Ų | 46 | 28.9 Ų | 28.9 | 47% | 0.474 | 16% | 0.155 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 100 | 35.2 | 170.6 | 0 | 0 | 0 | 0 | 0 | 114.7 | E596 T597 | E596-G600 PolarHBondContact O-N 3.37Å; T597-G600 PolarHBondContact O-N 2.89Å |
| 601 | F | 87.7 | Confident | 90.1 | Very high | 2 Ų | 2 | 27.6 Ų | 27.6 | 1% | 0.009 | 15% | 0.151 | C | C | . | . | S | Bend | trans | -63.5 | -45.4 | 177.7 | -80.7 | -128.7 | 0 | 0 | 0 | 112.1 | F129 S130 L133 R134 I185 E596 T599 | F129-F601 HydrophobicContact CD1-CD1 4.17Å; F129-F601 HydrophobicContact CD1-CE1 4.11Å; F129-F601 AromaticContact CE1-CD1 3.75Å; F129-F601 HydrophobicContact CE1-CD1 3.75Å; F129-F601 HydrophobicContact CE1-CE1 4.09Å; S130-F601 WeakPolarHBondContact OG-CZ 3.36Å; L133-F601 HydrophobicContact CB-CB 4.5Å; L133-F601 HydrophobicContact CB-CD1 4.4Å; L133-F601 HydrophobicContact CD1-CB 4.14Å; L133-F601 HydrophobicContact CD1-CD1 4.09Å; R134-F601 HydrophobicContact CG-CD2 4.29Å; R134-F601 HydrophobicContact CG-CE2 4.34Å; R134-F601 HydrophobicContact CG-CG 4.48Å; I185-F601 HydrophobicContact CG2-CZ 3.87Å; E596-F601 HydrophobicContact CB-CB 4.24Å; E596-F601 HydrophobicContact CB-CD2 4.38Å; E596-F601 HydrophobicContact CB-CG 4.18Å; E596-F601 HydrophobicContact CG-CD1 4.38Å; E596-F601 HydrophobicContact CG-CG 4.41Å; E596-F601 PolarHBondContact O-N 3.09Å; T599-F601 WeakPolarHBondContact OG1-CD2 3.43Å; T599-F601 VanDerWaalsContact OG1-CE2 3.27Å; T599-F601 WeakPolarHBondContact OG1-CE2 3.34Å |
| 602 | Y | 90.9 | Very high | 90.3 | Very high | 11 Ų | 11 | 23.7 Ų | 23.7 | 4% | 0.043 | 13% | 0.13 | C | C | . | . | S | Bend | trans | -151.8 | 169.2 | -173.6 | 49.2 | -108.1 | 0 | 0 | 0 | 112.8 | F129 L133 L517 F593 E596 Y607 | F129-Y602 HydrophobicContact CZ-CE1 4.31Å; L133-Y602 HydrophobicContact CD1-CD1 3.93Å; L517-Y602 HydrophobicContact CD1-CD1 4.08Å; L517-Y602 HydrophobicContact CD1-CD2 4.37Å; L517-Y602 HydrophobicContact CD1-CG 3.96Å; L517-Y602 HydrophobicContact CD2-CD1 3.78Å; L517-Y602 HydrophobicContact CD2-CE1 3.64Å; L517-Y602 HydrophobicContact CD2-CG 4.45Å; L517-Y602 HydrophobicContact CG-CD1 4.3Å; F593-Y602 HydrophobicContact CD2-CE2 4.3Å; F593-Y602 HydrophobicContact CE2-CE2 4.5Å; E596-Y602 HydrophobicContact CB-CE1 3.89Å; E596-Y602 WeakPolarHBondContact OE2-CE1 3.49Å; E596-Y602 PolarHBondContact OE2-OH 3Å; Y602-Y607 AromaticContact CE2-CD2 3.87Å; Y602-Y607 HydrophobicContact CE2-CD2 3.87Å; Y602-Y607 AromaticContact CE2-CG 3.89Å; Y602-Y607 HydrophobicContact CE2-CG 3.89Å; Y602-Y607 AromaticContact CZ-CD2 3.83Å; Y602-Y607 WeakPolarHBondContact OH-CD2 3.36Å |
| 603 | R | 89.8 | Confident | 90.4 | Very high | 122 Ų | 122 | 25.5 Ų | 25.5 | 46% | 0.46 | 14% | 0.14 | S | C | . | . | trans | -79.1 | 146.6 | 172.1 | -62 | 178.3 | -177 | -154.9 | -1.2 | 110.7 | Q513 S605 A606 Y607 | Q513-R603 VanDerWaalsContact OE1-N 3.1Å; R603-S605 PolarHBondContact O-N 3.2Å; R603-A606 HydrophobicContact CB-CB 4.46Å; R603-A606 PolarHBondContact O-N 3.46Å; R603-Y607 PolarHBondContact O-N 2.99Å; R603-Y607 VanDerWaalsContact O-N 3.17Å | ||
| 604 | I | 91.9 | Very high | 90.3 | Very high | 12 Ų | 12 | 25.6 Ų | 25.6 | 6% | 0.062 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -56.8 | -38.9 | 176.1 | -59.9 | 178.8 | 0 | 0 | 0 | 111 | F593 T597 A606 Y607 F608 Y825 L828 R829 R833 | F593-I604 HydrophobicContact CE2-CG1 4.42Å; F593-I604 HydrophobicContact CE2-CG2 4.45Å; F593-I604 HydrophobicContact CZ-CD1 4.45Å; F593-I604 HydrophobicContact CZ-CG1 4.13Å; F593-I604 HydrophobicContact CZ-CG2 4.17Å; T597-I604 HydrophobicContact CG2-CD1 4.33Å; T597-I604 HydrophobicContact CG2-CG1 3.91Å; I604-A606 VanDerWaalsContact C-N 3.34Å; I604-A606 PolarHBondContact O-N 3.47Å; I604-Y607 PolarHBondContact O-N 2.78Å; I604-F608 WeakPolarHBondContact O-CB 3.41Å; I604-F608 PolarHBondContact O-N 2.93Å; I604-Y825 HydrophobicContact CB-CE2 4.45Å; I604-Y825 HydrophobicContact CG2-CD2 4.34Å; I604-Y825 HydrophobicContact CG2-CE2 3.93Å; I604-L828 HydrophobicContact CG2-CB 4.16Å; I604-R829 HydrophobicContact CD1-CG 4.44Å; I604-R833 VanDerWaalsContact CD1-NH2 3.34Å |
| 605 | S | 93.5 | Very high | 90.3 | Very high | 39 Ų | 39 | 24.2 Ų | 24.2 | 27% | 0.273 | 13% | 0.132 | S | C | . | . | H | α-helix | trans | -63.9 | -36.4 | 177.3 | 53.7 | 0 | 0 | 0 | 0 | 113.2 | F510 R603 L609 | F510-S605 WeakPolarHBondContact CE2-OG 3.48Å; R603-S605 PolarHBondContact O-N 3.2Å; S605-L609 WeakPolarHBondContact O-CB 3.44Å; S605-L609 PolarHBondContact O-N 2.93Å |
| 606 | A | 94.5 | Very high | 90.4 | Very high | 0 Ų | 0 | 23.6 Ų | 23.6 | 0% | 0 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -69.3 | -41.3 | 178.4 | 0 | 0 | 0 | 0 | 0 | 110.5 | F510 Q513 L514 L517 R603 I604 S610 | F510-A606 HydrophobicContact CD2-CB 3.91Å; F510-A606 HydrophobicContact CE2-CB 3.75Å; Q513-A606 HydrophobicContact CB-CB 3.9Å; L514-A606 WeakPolarHBondContact CD1-O 3.35Å; L517-A606 HydrophobicContact CD1-CB 4.21Å; R603-A606 HydrophobicContact CB-CB 4.46Å; R603-A606 PolarHBondContact O-N 3.46Å; I604-A606 VanDerWaalsContact C-N 3.34Å; I604-A606 PolarHBondContact O-N 3.47Å; A606-S610 VanDerWaalsContact O-CB 3.28Å; A606-S610 WeakPolarHBondContact O-CB 3.49Å; A606-S610 PolarHBondContact O-N 3.01Å; A606-S610 PolarHBondContact O-OG 3.09Å |
| 607 | Y | 94.3 | Very high | 90.3 | Very high | 4 Ų | 4 | 26.2 Ų | 26.2 | 2% | 0.016 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -61.7 | -51.8 | 173.3 | 177.7 | -100.6 | 0 | 0 | 0 | 112.6 | L517 F586 F593 Y602 R603 I604 L609 S610 K611 | L517-Y607 HydrophobicContact CD2-CD2 4.49Å; F586-Y607 AromaticContact CD1-CE1 3.85Å; F586-Y607 HydrophobicContact CD1-CE1 3.85Å; F586-Y607 HydrophobicContact CE1-CD1 4.34Å; F586-Y607 AromaticContact CE1-CE1 3.57Å; F586-Y607 HydrophobicContact CE1-CE1 3.57Å; F593-Y607 HydrophobicContact CB-CE1 4.36Å; F593-Y607 AromaticContact CD2-CD1 3.39Å; F593-Y607 HydrophobicContact CD2-CD1 3.39Å; F593-Y607 HydrophobicContact CD2-CD2 4.2Å; F593-Y607 AromaticContact CD2-CE1 3.44Å; F593-Y607 HydrophobicContact CD2-CE1 3.44Å; F593-Y607 VanDerWaalsContact CD2-CE1 3.44Å; F593-Y607 HydrophobicContact CD2-CE2 4.27Å; F593-Y607 AromaticContact CD2-CG 3.79Å; F593-Y607 HydrophobicContact CD2-CG 3.79Å; F593-Y607 AromaticContact CD2-CZ 3.92Å; F593-Y607 AromaticContact CE2-CD1 3.52Å; F593-Y607 HydrophobicContact CE2-CD1 3.52Å; F593-Y607 AromaticContact CE2-CE1 3.96Å; F593-Y607 HydrophobicContact CE2-CE1 3.96Å; F593-Y607 HydrophobicContact CE2-CG 4.01Å; F593-Y607 HydrophobicContact CG-CD1 4.38Å; F593-Y607 HydrophobicContact CG-CE1 4.02Å; Y602-Y607 AromaticContact CE2-CD2 3.87Å; Y602-Y607 HydrophobicContact CE2-CD2 3.87Å; Y602-Y607 AromaticContact CE2-CG 3.89Å; Y602-Y607 HydrophobicContact CE2-CG 3.89Å; Y602-Y607 AromaticContact CZ-CD2 3.83Å; Y602-Y607 WeakPolarHBondContact OH-CD2 3.36Å; R603-Y607 PolarHBondContact O-N 2.99Å; R603-Y607 VanDerWaalsContact O-N 3.17Å; I604-Y607 PolarHBondContact O-N 2.78Å; Y607-L609 PolarHBondContact O-N 3.43Å; Y607-S610 PolarHBondContact O-N 3.29Å; Y607-S610 VanDerWaalsContact O-N 3.15Å; Y607-S610 PolarHBondContact O-OG 3.15Å; Y607-K611 HydrophobicContact CE1-CG 4.2Å; Y607-K611 HydrophobicContact CE2-CG 4.19Å; Y607-K611 PolarHBondContact O-N 2.89Å; Y607-K611 WeakPolarHBondContact OH-CE 3.22Å |
| 608 | F | 94.6 | Very high | 90.3 | Very high | 17 Ų | 17 | 27.4 Ų | 27.4 | 8% | 0.075 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -59.2 | -48.1 | -178.7 | -174.8 | -110.4 | 0 | 0 | 0 | 111.9 | F586 I604 S610 K611 I612 L821 A824 Y825 L828 | F586-F608 HydrophobicContact CE1-CD2 4.48Å; F586-F608 HydrophobicContact CE2-CD2 4.42Å; F586-F608 HydrophobicContact CE2-CE2 4.2Å; F586-F608 AromaticContact CZ-CD2 3.72Å; F586-F608 HydrophobicContact CZ-CD2 3.72Å; F586-F608 AromaticContact CZ-CE2 3.94Å; F586-F608 HydrophobicContact CZ-CE2 3.94Å; I604-F608 WeakPolarHBondContact O-CB 3.41Å; I604-F608 PolarHBondContact O-N 2.93Å; F608-S610 VanDerWaalsContact C-N 3.33Å; F608-S610 PolarHBondContact O-N 3.25Å; F608-K611 PolarHBondContact O-N 3.21Å; F608-I612 HydrophobicContact CD1-CD1 3.95Å; F608-I612 HydrophobicContact CE1-CD1 3.6Å; F608-I612 HydrophobicContact CZ-CD1 4.04Å; F608-I612 PolarHBondContact O-N 3.49Å; F608-L821 HydrophobicContact CE1-CB 4.27Å; F608-L821 HydrophobicContact CE1-CD2 4.23Å; F608-L821 HydrophobicContact CZ-CB 4.19Å; F608-L821 HydrophobicContact CZ-CD2 3.75Å; F608-L821 WeakPolarHBondContact CZ-O 3.4Å; F608-A824 HydrophobicContact CE2-CB 3.78Å; F608-A824 HydrophobicContact CZ-CB 3.88Å; F608-Y825 HydrophobicContact CB-CD2 4.26Å; F608-Y825 HydrophobicContact CD1-CD2 4.14Å; F608-Y825 HydrophobicContact CG-CD2 4.21Å; F608-L828 HydrophobicContact CD2-CD1 3.44Å; F608-L828 VanDerWaalsContact CD2-CD1 3.44Å; F608-L828 HydrophobicContact CE2-CD1 3.88Å; F608-L828 HydrophobicContact CG-CD1 4.42Å |
| 609 | L | 94.6 | Very high | 90.6 | Very high | 64 Ų | 64 | 28.2 Ų | 28.2 | 34% | 0.335 | 15% | 0.154 | S | C | . | . | H | α-helix | trans | -65.5 | -36.2 | 177.3 | -174.2 | 62.6 | 0 | 0 | 0 | 112.1 | F510 L514 S605 Y607 K611 I612 L613 | F510-L609 HydrophobicContact CE1-CD2 4.2Å; F510-L609 HydrophobicContact CZ-CD2 3.93Å; L514-L609 HydrophobicContact CD1-CB 3.9Å; L514-L609 HydrophobicContact CD1-CD2 4.06Å; L514-L609 HydrophobicContact CD1-CG 3.92Å; L514-L609 HydrophobicContact CD2-CD2 3.78Å; L514-L609 HydrophobicContact CD2-CG 4.41Å; S605-L609 WeakPolarHBondContact O-CB 3.44Å; S605-L609 PolarHBondContact O-N 2.93Å; Y607-L609 PolarHBondContact O-N 3.43Å; L609-K611 VanDerWaalsContact C-N 3.3Å; L609-K611 PolarHBondContact O-N 3.32Å; L609-I612 PolarHBondContact O-N 3.3Å; L609-L613 HydrophobicContact CD1-CG 4.46Å; L609-L613 HydrophobicContact CG-CD1 4.12Å; L609-L613 HydrophobicContact CG-CG 4.48Å; L609-L613 WeakPolarHBondContact O-CG 3.43Å; L609-L613 PolarHBondContact O-N 3.21Å |
| 610 | S | 94.7 | Very high | 90.9 | Very high | 1 Ų | 1 | 28.3 Ų | 28.3 | 1% | 0.007 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -60.8 | -40.8 | 175.3 | 74.9 | 0 | 0 | 0 | 0 | 112 | N518 A606 Y607 F608 L613 S614 | N518-S610 PolarHBondContact OD1-O 3.07Å; A606-S610 VanDerWaalsContact O-CB 3.28Å; A606-S610 WeakPolarHBondContact O-CB 3.49Å; A606-S610 PolarHBondContact O-N 3.01Å; A606-S610 PolarHBondContact O-OG 3.09Å; Y607-S610 PolarHBondContact O-N 3.29Å; Y607-S610 VanDerWaalsContact O-N 3.15Å; Y607-S610 PolarHBondContact O-OG 3.15Å; F608-S610 VanDerWaalsContact C-N 3.33Å; F608-S610 PolarHBondContact O-N 3.25Å; S610-L613 PolarHBondContact O-N 2.9Å; S610-S614 VanDerWaalsContact O-CB 3.29Å; S610-S614 WeakPolarHBondContact O-CB 3.32Å; S610-S614 PolarHBondContact O-N 3.34Å; S610-S614 PolarHBondContact O-OG 3.48Å |
| 611 | K | 92.2 | Very high | 91.2 | Very high | 17 Ų | 17 | 26.9 Ų | 26.9 | 7% | 0.074 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -67.6 | -37.4 | 179 | -72.7 | -62 | -166.3 | 173.4 | 0 | 112.6 | V585 F586 D589 Y607 F608 L609 D615 | V585-K611 HydrophobicContact CG1-CD 3.95Å; F586-K611 HydrophobicContact CE1-CB 4.17Å; F586-K611 HydrophobicContact CE1-CG 3.97Å; F586-K611 HydrophobicContact CZ-CB 4.19Å; F586-K611 HydrophobicContact CZ-CG 4.5Å; D589-K611 VanDerWaalsContact OD2-CE 3.3Å; D589-K611 WeakPolarHBondContact OD2-CE 3.43Å; D589-K611 IonicContact OD2-NZ 2.69Å; D589-K611 PolarHBondContact OD2-NZ 2.9Å; Y607-K611 HydrophobicContact CE1-CG 4.2Å; Y607-K611 HydrophobicContact CE2-CG 4.19Å; Y607-K611 PolarHBondContact O-N 2.89Å; Y607-K611 WeakPolarHBondContact OH-CE 3.22Å; F608-K611 PolarHBondContact O-N 3.21Å; L609-K611 VanDerWaalsContact C-N 3.3Å; L609-K611 PolarHBondContact O-N 3.32Å; K611-D615 VanDerWaalsContact CD-OD2 3.31Å; K611-D615 WeakPolarHBondContact CD-OD2 3.23Å; K611-D615 IonicContact NZ-OD2 3.14Å; K611-D615 VanDerWaalsContact O-CB 3.26Å; K611-D615 WeakPolarHBondContact O-CB 3.3Å; K611-D615 PolarHBondContact O-N 3.42Å |
| 612 | I | 92.6 | Very high | 91.3 | Very high | 18 Ų | 18 | 31 Ų | 31 | 9% | 0.092 | 16% | 0.157 | C | C | . | . | I | π-helix | trans | -62.2 | -49.5 | 172.5 | -63.8 | 169.1 | 0 | 0 | 0 | 110.2 | F608 L609 V616 F656 F663 L821 | F608-I612 HydrophobicContact CD1-CD1 3.95Å; F608-I612 HydrophobicContact CE1-CD1 3.6Å; F608-I612 HydrophobicContact CZ-CD1 4.04Å; F608-I612 PolarHBondContact O-N 3.49Å; L609-I612 PolarHBondContact O-N 3.3Å; I612-V616 HydrophobicContact CG2-CG2 4.46Å; I612-V616 VanDerWaalsContact O-CB 3.23Å; I612-V616 WeakPolarHBondContact O-CB 3.49Å; I612-V616 PolarHBondContact O-N 3.12Å; I612-V616 VanDerWaalsContact O-N 3.1Å; I612-F656 HydrophobicContact CG2-CE2 3.89Å; I612-F663 HydrophobicContact CG1-CD2 4.45Å; I612-F663 HydrophobicContact CG1-CE2 4.09Å; I612-L821 HydrophobicContact CD1-CD1 4.19Å; I612-L821 HydrophobicContact CD1-CD2 3.89Å; I612-L821 HydrophobicContact CG1-CD2 4.46Å |
| 613 | L | 92.5 | Very high | 91.2 | Very high | 63 Ų | 63 | 30.9 Ų | 30.9 | 33% | 0.33 | 16% | 0.158 | S | C | . | . | I | π-helix | trans | -68.3 | -38.6 | -176.9 | -69.8 | 174.6 | 0 | 0 | 0 | 113.1 | L514 N518 L609 S610 L617 P618 | L514-L613 HydrophobicContact CD1-CD1 4.33Å; L514-L613 HydrophobicContact CD2-CD1 4.32Å; N518-L613 WeakPolarHBondContact OD1-CB 3.44Å; L609-L613 HydrophobicContact CD1-CG 4.46Å; L609-L613 HydrophobicContact CG-CD1 4.12Å; L609-L613 HydrophobicContact CG-CG 4.48Å; L609-L613 WeakPolarHBondContact O-CG 3.43Å; L609-L613 PolarHBondContact O-N 3.21Å; S610-L613 PolarHBondContact O-N 2.9Å; L613-L617 HydrophobicContact CD2-CD1 3.72Å; L613-P618 WeakPolarHBondContact O-CD 3.36Å |
| 614 | S | 90.7 | Very high | 91.3 | Very high | 8 Ų | 8 | 25.1 Ų | 25.1 | 6% | 0.056 | 14% | 0.136 | C | C | . | . | I | π-helix | trans | -84 | -33 | -175.8 | 71 | 0 | 0 | 0 | 0 | 113.8 | S521 S610 P618 | S521-S614 WeakPolarHBondContact CB-OG 3.48Å; S521-S614 PolarHBondContact OG-OG 2.89Å; S521-S614 VanDerWaalsContact OG-OG 3.14Å; S610-S614 VanDerWaalsContact O-CB 3.29Å; S610-S614 WeakPolarHBondContact O-CB 3.32Å; S610-S614 PolarHBondContact O-N 3.34Å; S610-S614 PolarHBondContact O-OG 3.48Å; S614-P618 VanDerWaalsContact O-CD 3.28Å; S614-P618 WeakPolarHBondContact O-CD 3.44Å; S614-P618 WeakPolarHBondContact O-CG 3.22Å |
| 615 | D | 88.9 | Confident | 91.3 | Very high | 19 Ų | 19 | 28.1 Ų | 28.1 | 10% | 0.102 | 15% | 0.149 | C | C | . | . | I | π-helix | trans | -107.8 | -30.1 | -169.5 | -55.6 | -8.5 | 0 | 0 | 0 | 112.1 | L582 V585 K611 I619 | L582-D615 HydrophobicContact CD2-CB 4.17Å; V585-D615 WeakPolarHBondContact CG1-OD2 3.5Å; K611-D615 VanDerWaalsContact CD-OD2 3.31Å; K611-D615 WeakPolarHBondContact CD-OD2 3.23Å; K611-D615 IonicContact NZ-OD2 3.14Å; K611-D615 VanDerWaalsContact O-CB 3.26Å; K611-D615 WeakPolarHBondContact O-CB 3.3Å; K611-D615 PolarHBondContact O-N 3.42Å; D615-I619 HydrophobicContact CB-CD1 4.45Å; D615-I619 VanDerWaalsContact O-CB 3.3Å; D615-I619 WeakPolarHBondContact O-CB 3.47Å |
| 616 | V | 91.2 | Very high | 91.3 | Very high | 2 Ų | 2 | 31 Ų | 31 | 1% | 0.012 | 16% | 0.161 | C | C | . | . | I | π-helix | trans | -85.1 | -50.8 | -179.7 | -175.7 | 0 | 0 | 0 | 0 | 111.4 | L582 I612 K620 V621 F656 F663 | L582-V616 HydrophobicContact CD1-CG2 4.2Å; I612-V616 HydrophobicContact CG2-CG2 4.46Å; I612-V616 VanDerWaalsContact O-CB 3.23Å; I612-V616 WeakPolarHBondContact O-CB 3.49Å; I612-V616 PolarHBondContact O-N 3.12Å; I612-V616 VanDerWaalsContact O-N 3.1Å; V616-K620 WeakPolarHBondContact O-CA 3.49Å; V616-K620 VanDerWaalsContact O-CB 3.32Å; V616-K620 WeakPolarHBondContact O-CB 3.42Å; V616-K620 PolarHBondContact O-N 3.33Å; V616-V621 HydrophobicContact CG1-CG2 4.2Å; V616-V621 PolarHBondContact O-N 2.72Å; V616-V621 VanDerWaalsContact O-N 3.14Å; V616-F656 HydrophobicContact CG1-CD2 4.13Å; V616-F663 HydrophobicContact CG2-CD2 4.42Å; V616-F663 HydrophobicContact CG2-CE2 3.38Å; V616-F663 HydrophobicContact CG2-CZ 3.78Å |
| 617 | L | 88.4 | Confident | 91.2 | Very high | 72 Ų | 72 | 31.1 Ų | 31.1 | 38% | 0.377 | 16% | 0.161 | S | C | . | . | I | π-helix | trans | -65.2 | -53.4 | -173.1 | -60.4 | 176.6 | 0 | 0 | 0 | 112.8 | L613 V621 I622 | L613-L617 HydrophobicContact CD2-CD1 3.72Å; L617-V621 HydrophobicContact CD2-CB 4.37Å; L617-V621 HydrophobicContact CD2-CG2 4.07Å; L617-V621 PolarHBondContact O-N 2.99Å; L617-I622 PolarHBondContact O-N 3.2Å |
| 618 | P | 87.3 | Confident | 91.2 | Very high | 38 Ų | 38 | 30.9 Ų | 30.9 | 25% | 0.247 | 16% | 0.161 | C | C | . | . | I | π-helix | trans | -75.3 | -33.7 | -174.1 | -16.5 | 34 | 0 | 0 | 0 | 113.1 | M525 L613 S614 P623 | M525-P618 HydrophobicContact CE-CB 4.18Å; M525-P618 HydrophobicContact CE-CG 4.48Å; M525-P618 HydrophobicContact SD-CB 3.93Å; M525-P618 HydrophobicContact SD-CG 4.32Å; L613-P618 WeakPolarHBondContact O-CD 3.36Å; S614-P618 VanDerWaalsContact O-CD 3.28Å; S614-P618 WeakPolarHBondContact O-CD 3.44Å; S614-P618 WeakPolarHBondContact O-CG 3.22Å; P618-P623 WeakPolarHBondContact O-CD 3.34Å |
| 619 | I | 86.9 | Confident | 91.2 | Very high | 30 Ų | 30 | 31.4 Ų | 31.4 | 15% | 0.154 | 17% | 0.166 | C | C | . | . | I | π-helix | trans | -91.8 | -28.2 | -171.4 | -49.4 | 177.9 | 0 | 0 | 0 | 111.7 | M525 H535 D615 P623 | M525-I619 HydrophobicContact SD-CG1 4.31Å; H535-I619 HydrophobicContact CB-CG2 4.33Å; D615-I619 HydrophobicContact CB-CD1 4.45Å; D615-I619 VanDerWaalsContact O-CB 3.3Å; D615-I619 WeakPolarHBondContact O-CB 3.47Å; I619-P623 WeakPolarHBondContact O-CG 3.48Å |
| 620 | K | 89.7 | Confident | 91.2 | Very high | 10 Ų | 10 | 31.4 Ų | 31.4 | 4% | 0.043 | 17% | 0.166 | C | C | . | . | I | π-helix | trans | -115.8 | -54.7 | -175.2 | -56.1 | -62.3 | 179.9 | -177.3 | 0 | 113.1 | I578 T581 L582 V616 A624 T655 | I578-K620 PolarHBondContact O-NZ 3.37Å; T581-K620 PolarHBondContact OG1-NZ 2.95Å; L582-K620 HydrophobicContact CD1-CG 4.03Å; L582-K620 HydrophobicContact CG-CG 4.45Å; V616-K620 WeakPolarHBondContact O-CA 3.49Å; V616-K620 VanDerWaalsContact O-CB 3.32Å; V616-K620 WeakPolarHBondContact O-CB 3.42Å; V616-K620 PolarHBondContact O-N 3.33Å; K620-A624 VanDerWaalsContact O-CB 3.25Å; K620-A624 WeakPolarHBondContact O-CB 3.41Å; K620-A624 PolarHBondContact O-N 2.93Å; K620-A624 VanDerWaalsContact O-N 3.09Å; K620-T655 HydrophobicContact CB-CG2 3.65Å |
| 621 | V | 89 | Confident | 91.2 | Very high | 16 Ų | 16 | 31.4 Ų | 31.4 | 10% | 0.097 | 17% | 0.166 | C | C | . | . | I | π-helix | trans | -69.2 | -48.4 | -172.6 | 179.9 | 0 | 0 | 0 | 0 | 111.7 | V616 L617 A624 F625 | V616-V621 HydrophobicContact CG1-CG2 4.2Å; V616-V621 PolarHBondContact O-N 2.72Å; V616-V621 VanDerWaalsContact O-N 3.14Å; L617-V621 HydrophobicContact CD2-CB 4.37Å; L617-V621 HydrophobicContact CD2-CG2 4.07Å; L617-V621 PolarHBondContact O-N 2.99Å; V621-A624 PolarHBondContact O-N 3.43Å; V621-F625 HydrophobicContact CG1-CD2 3.96Å; V621-F625 HydrophobicContact CG1-CE1 4.15Å; V621-F625 HydrophobicContact CG1-CE2 3.53Å; V621-F625 HydrophobicContact CG1-CG 4.44Å; V621-F625 HydrophobicContact CG1-CZ 3.64Å; V621-F625 WeakPolarHBondContact O-CG 3.42Å; V621-F625 PolarHBondContact O-N 3.07Å |
| 622 | I | 89.5 | Confident | 91.3 | Very high | 88 Ų | 88 | 30.7 Ų | 30.7 | 45% | 0.451 | 16% | 0.163 | S | C | . | . | H | α-helix | trans | -61.6 | -49.6 | -179.1 | -69 | 166.1 | 0 | 0 | 0 | 111.9 | L617 A624 F625 L626 | L617-I622 PolarHBondContact O-N 3.2Å; I622-A624 VanDerWaalsContact C-N 3.32Å; I622-A624 PolarHBondContact O-N 3.19Å; I622-F625 PolarHBondContact O-N 3.17Å; I622-L626 HydrophobicContact CG2-CD1 3.83Å; I622-L626 HydrophobicContact CG2-CG 4.38Å; I622-L626 WeakPolarHBondContact O-CG 3.17Å; I622-L626 PolarHBondContact O-N 3.26Å |
| 623 | P | 89.4 | Confident | 91.4 | Very high | 8 Ų | 8 | 36 Ų | 36 | 5% | 0.052 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -62.6 | -36.4 | 176 | -26.5 | 37.3 | 0 | 0 | 0 | 113.4 | F536 Q539 P618 I619 C627 | F536-P623 HydrophobicContact CD2-CB 3.88Å; F536-P623 HydrophobicContact CD2-CG 4.03Å; F536-P623 HydrophobicContact CE2-CB 4.48Å; Q539-P623 HydrophobicContact CB-CB 4.44Å; Q539-P623 HydrophobicContact CG-CB 4.26Å; P618-P623 WeakPolarHBondContact O-CD 3.34Å; I619-P623 WeakPolarHBondContact O-CG 3.48Å; P623-C627 WeakPolarHBondContact O-CB 3.33Å; P623-C627 PolarHBondContact O-N 2.92Å; P623-C627 PolarHBondContact O-SG 3.48Å; P623-C627 VanDerWaalsContact O-SG 3.33Å |
| 624 | A | 90.5 | Very high | 91.5 | Very high | 1 Ų | 1 | 35.5 Ų | 35.5 | 1% | 0.008 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -61.8 | -48.4 | 175.7 | 0 | 0 | 0 | 0 | 0 | 111.2 | L575 K620 V621 I622 L628 | L575-A624 HydrophobicContact CD2-CB 3.92Å; K620-A624 VanDerWaalsContact O-CB 3.25Å; K620-A624 WeakPolarHBondContact O-CB 3.41Å; K620-A624 PolarHBondContact O-N 2.93Å; K620-A624 VanDerWaalsContact O-N 3.09Å; V621-A624 PolarHBondContact O-N 3.43Å; I622-A624 VanDerWaalsContact C-N 3.32Å; I622-A624 PolarHBondContact O-N 3.19Å; A624-L628 VanDerWaalsContact O-CB 3.22Å; A624-L628 WeakPolarHBondContact O-CB 3.43Å; A624-L628 WeakPolarHBondContact O-CG 3.24Å; A624-L628 PolarHBondContact O-N 3.43Å |
| 625 | F | 92.6 | Very high | 91.7 | Very high | 76 Ų | 76 | 35.1 Ų | 35.1 | 33% | 0.333 | 18% | 0.177 | S | C | . | . | H | α-helix | trans | -60.3 | -48 | 177.3 | -72 | -11.4 | 0 | 0 | 0 | 112.4 | V621 I622 S629 Q648 I651 G652 | V621-F625 HydrophobicContact CG1-CD2 3.96Å; V621-F625 HydrophobicContact CG1-CE1 4.15Å; V621-F625 HydrophobicContact CG1-CE2 3.53Å; V621-F625 HydrophobicContact CG1-CG 4.44Å; V621-F625 HydrophobicContact CG1-CZ 3.64Å; V621-F625 WeakPolarHBondContact O-CG 3.42Å; V621-F625 PolarHBondContact O-N 3.07Å; I622-F625 PolarHBondContact O-N 3.17Å; F625-S629 WeakPolarHBondContact O-CB 3.44Å; F625-S629 PolarHBondContact O-N 2.88Å; F625-S629 PolarHBondContact O-OG 3.42Å; F625-Q648 WeakPolarHBondContact CE1-O 3.3Å; F625-I651 HydrophobicContact CD1-CD1 4.3Å; F625-I651 HydrophobicContact CD1-CG1 4.26Å; F625-I651 HydrophobicContact CE1-CG1 4.32Å; F625-G652 VanDerWaalsContact CE1-CA 3.43Å |
| 626 | L | 93.3 | Very high | 91.8 | Very high | 100 Ų | 100 | 35.2 Ų | 35.2 | 52% | 0.524 | 18% | 0.183 | S | C | . | . | H | α-helix | trans | -67.6 | -51 | -177.7 | -66.1 | 175.3 | 0 | 0 | 0 | 111.8 | F536 I622 | F536-L626 HydrophobicContact CE2-CD1 4.2Å; I622-L626 HydrophobicContact CG2-CD1 3.83Å; I622-L626 HydrophobicContact CG2-CG 4.38Å; I622-L626 WeakPolarHBondContact O-CG 3.17Å; I622-L626 PolarHBondContact O-N 3.26Å |
| 627 | C | 93.5 | Very high | 91.9 | Very high | 1 Ų | 1 | 35.2 Ų | 35.2 | 1% | 0.007 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -73.8 | -41.7 | -173.2 | -61.6 | 0 | 0 | 0 | 0 | 112.4 | Q539 A543 P623 S629 I630 | Q539-C627 HydrophobicContact CG-CB 3.87Å; A543-C627 HydrophobicContact CB-CB 3.73Å; A543-C627 WeakPolarHBondContact CB-O 3.28Å; P623-C627 WeakPolarHBondContact O-CB 3.33Å; P623-C627 PolarHBondContact O-N 2.92Å; P623-C627 PolarHBondContact O-SG 3.48Å; P623-C627 VanDerWaalsContact O-SG 3.33Å; C627-S629 VanDerWaalsContact C-N 3.3Å; C627-S629 PolarHBondContact O-N 2.82Å; C627-I630 VanDerWaalsContact O-CB 3.28Å; C627-I630 WeakPolarHBondContact O-CB 3.4Å; C627-I630 PolarHBondContact O-N 3.15Å; C627-I630 VanDerWaalsContact O-N 3.12Å |
| 628 | L | 92.9 | Very high | 92 | Very high | 0 Ų | 0 | 33.7 Ų | 33.7 | 0% | 0 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -78.2 | -14.5 | -178.6 | -63.4 | 176.9 | 0 | 0 | 0 | 113.5 | A543 T571 L575 A624 I630 T631 Y632 I651 | A543-L628 HydrophobicContact CB-CD2 4.1Å; T571-L628 HydrophobicContact CG2-CD1 3.79Å; T571-L628 HydrophobicContact CG2-CD2 3.86Å; T571-L628 HydrophobicContact CG2-CG 4.43Å; L575-L628 HydrophobicContact CD1-CD1 3.68Å; L575-L628 HydrophobicContact CD2-CD1 3.73Å; L575-L628 HydrophobicContact CG-CD1 3.92Å; A624-L628 VanDerWaalsContact O-CB 3.22Å; A624-L628 WeakPolarHBondContact O-CB 3.43Å; A624-L628 WeakPolarHBondContact O-CG 3.24Å; A624-L628 PolarHBondContact O-N 3.43Å; L628-I630 PolarHBondContact O-N 2.98Å; L628-T631 PolarHBondContact O-N 3.2Å; L628-Y632 PolarHBondContact O-N 3.24Å; L628-I651 HydrophobicContact CB-CD1 3.78Å; L628-I651 HydrophobicContact CD1-CB 4.4Å; L628-I651 HydrophobicContact CD1-CD1 3.9Å; L628-I651 HydrophobicContact CD1-CG2 4.36Å; L628-I651 HydrophobicContact CG-CD1 4.47Å |
| 629 | S | 94.5 | Very high | 92 | Very high | 27 Ų | 27 | 38.8 Ų | 38.8 | 19% | 0.189 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -59.1 | -38.2 | 164 | -65.3 | 0 | 0 | 0 | 0 | 111.2 | F625 C627 Y632 Y633 Q648 | F625-S629 WeakPolarHBondContact O-CB 3.44Å; F625-S629 PolarHBondContact O-N 2.88Å; F625-S629 PolarHBondContact O-OG 3.42Å; C627-S629 VanDerWaalsContact C-N 3.3Å; C627-S629 PolarHBondContact O-N 2.82Å; S629-Y632 WeakPolarHBondContact O-CB 3.31Å; S629-Y632 PolarHBondContact O-N 3.22Å; S629-Y633 VanDerWaalsContact O-CD2 3.23Å; S629-Y633 WeakPolarHBondContact O-CD2 3.27Å; S629-Y633 PolarHBondContact O-N 2.79Å; S629-Q648 PolarHBondContact OG-NE2 3.32Å |
| 630 | I | 94.2 | Very high | 92.3 | Very high | 65 Ų | 65 | 43.1 Ų | 43.1 | 33% | 0.333 | 21% | 0.212 | S | C | . | . | H | α-helix | trans | -65 | -45.8 | 179.2 | -54.4 | 173.8 | 0 | 0 | 0 | 109.9 | F540 C627 L628 Y632 Y633 L634 | F540-I630 HydrophobicContact CD2-CD1 4.03Å; F540-I630 HydrophobicContact CE2-CD1 3.6Å; C627-I630 VanDerWaalsContact O-CB 3.28Å; C627-I630 WeakPolarHBondContact O-CB 3.4Å; C627-I630 PolarHBondContact O-N 3.15Å; C627-I630 VanDerWaalsContact O-N 3.12Å; L628-I630 PolarHBondContact O-N 2.98Å; I630-Y632 VanDerWaalsContact C-N 3.29Å; I630-Y632 PolarHBondContact O-N 3.43Å; I630-Y633 PolarHBondContact O-N 3.39Å; I630-L634 HydrophobicContact CG2-CD1 3.7Å; I630-L634 HydrophobicContact CG2-CG 4.18Å; I630-L634 WeakPolarHBondContact O-CB 3.39Å; I630-L634 WeakPolarHBondContact O-CG 3.44Å; I630-L634 PolarHBondContact O-N 3.35Å |
| 631 | T | 95 | Very high | 92.5 | Very high | 0 Ų | 0 | 48.5 Ų | 48.5 | 0% | 0 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -58.3 | -41 | 175.5 | -49.1 | 0 | 0 | 0 | 0 | 111.7 | A543 L546 L567 L628 Y633 L634 T635 | A543-T631 WeakPolarHBondContact CA-OG1 3.48Å; A543-T631 WeakPolarHBondContact CB-OG1 3.29Å; A543-T631 PolarHBondContact O-OG1 2.82Å; L546-T631 HydrophobicContact CB-CG2 4.05Å; L567-T631 HydrophobicContact CD1-CG2 3.86Å; L628-T631 PolarHBondContact O-N 3.2Å; T631-Y633 PolarHBondContact O-N 3.49Å; T631-L634 PolarHBondContact O-N 3.29Å; T631-T635 HydrophobicContact CG2-CG2 4.08Å; T631-T635 WeakPolarHBondContact O-CB 3.49Å; T631-T635 WeakPolarHBondContact O-CG2 3.5Å; T631-T635 PolarHBondContact O-N 3.1Å; T631-T635 VanDerWaalsContact O-N 3.13Å; T631-T635 PolarHBondContact O-OG1 3.33Å |
| 632 | Y | 95.6 | Very high | 92.6 | Very high | 3 Ų | 3 | 53.6 Ų | 53.6 | 1% | 0.012 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -57.9 | -49.2 | 179.7 | -171.8 | -92.8 | 0 | 0 | 0 | 112.6 | L628 S629 I630 T635 L637 R638 F644 W647 | L628-Y632 PolarHBondContact O-N 3.24Å; S629-Y632 WeakPolarHBondContact O-CB 3.31Å; S629-Y632 PolarHBondContact O-N 3.22Å; I630-Y632 VanDerWaalsContact C-N 3.29Å; I630-Y632 PolarHBondContact O-N 3.43Å; Y632-T635 PolarHBondContact O-OG1 3.32Å; Y632-L637 HydrophobicContact CD2-CB 4.09Å; Y632-L637 HydrophobicContact CD2-CD1 3.49Å; Y632-L637 VanDerWaalsContact CD2-CD1 3.49Å; Y632-L637 HydrophobicContact CD2-CG 4.43Å; Y632-L637 HydrophobicContact CE1-CB 4.37Å; Y632-L637 HydrophobicContact CE2-CB 3.79Å; Y632-L637 HydrophobicContact CE2-CD1 3.76Å; Y632-L637 HydrophobicContact CE2-CG 4.43Å; Y632-L637 HydrophobicContact CG-CD1 4.26Å; Y632-R638 VanDerWaalsContact CE1-O 3.3Å; Y632-R638 WeakPolarHBondContact CE1-O 3.48Å; Y632-R638 PolarHBondContact OH-O 3.15Å; Y632-F644 AromaticContact CD1-CD2 3.55Å; Y632-F644 HydrophobicContact CD1-CD2 3.55Å; Y632-F644 HydrophobicContact CD1-CE2 4.23Å; Y632-F644 HydrophobicContact CD2-CD2 4.49Å; Y632-F644 HydrophobicContact CE1-CB 3.85Å; Y632-F644 AromaticContact CE1-CD2 3.67Å; Y632-F644 HydrophobicContact CE1-CD2 3.67Å; Y632-F644 HydrophobicContact CE1-CG 4.22Å; Y632-F644 AromaticContact CG-CD2 3.97Å; Y632-F644 HydrophobicContact CG-CD2 3.97Å; Y632-F644 HydrophobicContact CG-CE2 4.47Å; Y632-F644 WeakPolarHBondContact OH-CA 3.31Å; Y632-F644 PolarHBondContact OH-N 3.43Å; Y632-W647 HydrophobicContact CD2-CB 4Å; Y632-W647 AromaticContact CD2-CD1 3.75Å; Y632-W647 AromaticContact CD2-CD2 3.67Å; Y632-W647 HydrophobicContact CD2-CD2 3.67Å; Y632-W647 HydrophobicContact CD2-CE3 4.17Å; Y632-W647 AromaticContact CD2-CG 3.54Å; Y632-W647 HydrophobicContact CD2-CG 3.54Å; Y632-W647 HydrophobicContact CE2-CB 3.8Å; Y632-W647 HydrophobicContact CE2-CD2 4.19Å; Y632-W647 HydrophobicContact CE2-CE3 4.46Å; Y632-W647 AromaticContact CE2-CG 3.87Å; Y632-W647 HydrophobicContact CE2-CG 3.87Å |
| 633 | Y | 94.5 | Very high | 92.8 | Very high | 128 Ų | 128 | 49.5 Ų | 49.5 | 50% | 0.502 | 24% | 0.238 | S | C | . | . | H | α-helix | trans | -74.3 | -37.8 | -179.3 | -71.5 | -72.2 | 0 | 0 | 0 | 113.2 | S629 I630 T631 T635 G636 F644 | S629-Y633 VanDerWaalsContact O-CD2 3.23Å; S629-Y633 WeakPolarHBondContact O-CD2 3.27Å; S629-Y633 PolarHBondContact O-N 2.79Å; I630-Y633 PolarHBondContact O-N 3.39Å; T631-Y633 PolarHBondContact O-N 3.49Å; Y633-T635 VanDerWaalsContact C-N 3.29Å; Y633-T635 PolarHBondContact O-N 3.44Å; Y633-G636 PolarHBondContact O-N 3.15Å; Y633-F644 HydrophobicContact CE2-CD2 4.4Å; Y633-F644 AromaticContact CE2-CE2 3.9Å; Y633-F644 HydrophobicContact CE2-CE2 3.9Å; Y633-F644 HydrophobicContact CE2-CZ 4.35Å |
| 634 | L | 95 | Very high | 93.1 | Very high | 54 Ų | 54 | 50.8 Ų | 50.8 | 28% | 0.283 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -64.2 | -34.3 | 179.1 | -76.2 | 176.5 | 0 | 0 | 0 | 112.8 | L551 N552 I630 T631 G636 | L551-L634 HydrophobicContact CD1-CB 4.38Å; L551-L634 HydrophobicContact CD1-CD2 4.12Å; L551-L634 WeakPolarHBondContact CD1-O 3.29Å; N552-L634 PolarHBondContact N-O 3.47Å; I630-L634 HydrophobicContact CG2-CD1 3.7Å; I630-L634 HydrophobicContact CG2-CG 4.18Å; I630-L634 WeakPolarHBondContact O-CB 3.39Å; I630-L634 WeakPolarHBondContact O-CG 3.44Å; I630-L634 PolarHBondContact O-N 3.35Å; T631-L634 PolarHBondContact O-N 3.29Å; L634-G636 VanDerWaalsContact C-N 3.31Å; L634-G636 PolarHBondContact O-N 3.22Å |
| 635 | T | 94.3 | Very high | 93.4 | Very high | 0 Ų | 0 | 55.2 Ų | 55.2 | 0% | 0 | 27% | 0.266 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -82 | -9.6 | -173.8 | 55.6 | 0 | 0 | 0 | 0 | 114.1 | Y550 M553 L567 T631 Y632 Y633 | Y550-T635 VanDerWaalsContact O-CA 3.26Å; Y550-T635 WeakPolarHBondContact O-CA 3.4Å; Y550-T635 WeakPolarHBondContact O-CB 3.39Å; Y550-T635 WeakPolarHBondContact O-CG2 3.46Å; M553-T635 PolarHBondContact N-O 3.13Å; M553-T635 VanDerWaalsContact N-O 3.12Å; L567-T635 HydrophobicContact CD1-CG2 4.07Å; L567-T635 HydrophobicContact CD2-CG2 3.73Å; T631-T635 HydrophobicContact CG2-CG2 4.08Å; T631-T635 WeakPolarHBondContact O-CB 3.49Å; T631-T635 WeakPolarHBondContact O-CG2 3.5Å; T631-T635 PolarHBondContact O-N 3.1Å; T631-T635 VanDerWaalsContact O-N 3.13Å; T631-T635 PolarHBondContact O-OG1 3.33Å; Y632-T635 PolarHBondContact O-OG1 3.32Å; Y633-T635 VanDerWaalsContact C-N 3.29Å; Y633-T635 PolarHBondContact O-N 3.44Å |
| 636 | G | 91.3 | Very high | 93.4 | Very high | 21 Ų | 21 | 51.9 Ų | 51.9 | 22% | 0.216 | 25% | 0.251 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 72.2 | 33.2 | 179.9 | 0 | 0 | 0 | 0 | 0 | 113.4 | Y633 L634 | Y633-G636 PolarHBondContact O-N 3.15Å; L634-G636 VanDerWaalsContact C-N 3.31Å; L634-G636 PolarHBondContact O-N 3.22Å |
| 637 | L | 92.9 | Very high | 93.5 | Very high | 2 Ų | 2 | 47.2 Ų | 47.2 | 1% | 0.01 | 23% | 0.227 | C | C | . | . | trans | -65.3 | 168.3 | 167.2 | -68 | 169.7 | 0 | 0 | 0 | 110.3 | M553 L567 F568 Y632 H639 W647 E723 | M553-L637 HydrophobicContact CE-CD2 3.77Å; M553-L637 HydrophobicContact CE-CG 4.21Å; L567-L637 HydrophobicContact CD2-CD1 4.21Å; F568-L637 HydrophobicContact CE1-CD1 4.16Å; F568-L637 HydrophobicContact CE1-CD2 3.91Å; F568-L637 HydrophobicContact CZ-CD2 3.96Å; Y632-L637 HydrophobicContact CD2-CB 4.09Å; Y632-L637 HydrophobicContact CD2-CD1 3.49Å; Y632-L637 VanDerWaalsContact CD2-CD1 3.49Å; Y632-L637 HydrophobicContact CD2-CG 4.43Å; Y632-L637 HydrophobicContact CE1-CB 4.37Å; Y632-L637 HydrophobicContact CE2-CB 3.79Å; Y632-L637 HydrophobicContact CE2-CD1 3.76Å; Y632-L637 HydrophobicContact CE2-CG 4.43Å; Y632-L637 HydrophobicContact CG-CD1 4.26Å; L637-H639 PolarHBondContact O-N 3.38Å; L637-W647 HydrophobicContact CD1-CE3 4.35Å; L637-W647 HydrophobicContact CD1-CZ3 4.24Å; L637-E723 HydrophobicContact CD2-CG 3.86Å; L637-E723 WeakPolarHBondContact CD2-OE1 3.28Å | ||
| 638 | R | 91 | Very high | 93.6 | Very high | 39 Ų | 39 | 48.2 Ų | 48.2 | 15% | 0.147 | 23% | 0.231 | C | C | . | . | trans | -48.8 | 131.6 | -177.5 | -67.9 | 168 | -175.5 | -133.7 | 5.5 | 112.9 | Y632 E640 P643 N722 E723 D726 | Y632-R638 VanDerWaalsContact CE1-O 3.3Å; Y632-R638 WeakPolarHBondContact CE1-O 3.48Å; Y632-R638 PolarHBondContact OH-O 3.15Å; R638-E640 VanDerWaalsContact C-N 3.29Å; R638-E640 PolarHBondContact O-N 3.43Å; R638-P643 HydrophobicContact CB-CB 4.1Å; R638-P643 HydrophobicContact CB-CG 4.22Å; R638-N722 VanDerWaalsContact CZ-O 3.22Å; R638-N722 PolarHBondContact NE-O 2.91Å; R638-E723 WeakPolarHBondContact CG-OE2 3.3Å; R638-E723 VanDerWaalsContact CZ-O 3.26Å; R638-E723 PolarHBondContact NE-O 3.36Å; R638-E723 IonicContact NE-OE2 3.94Å; R638-E723 VanDerWaalsContact NH2-C 3.33Å; R638-E723 PolarHBondContact NH2-O 3.02Å; R638-D726 IonicContact CZ-OD1 3.23Å; R638-D726 IonicContact CZ-OD2 2.69Å; R638-D726 IonicContact NE-OD1 3.1Å; R638-D726 VanDerWaalsContact NH1-CG 3.3Å; R638-D726 IonicContact NH1-OD1 3.67Å; R638-D726 PolarHBondContact NH1-OD1 3.03Å; R638-D726 IonicContact NH1-OD2 2.58Å; R638-D726 PolarHBondContact NH1-OD2 3.45Å; R638-D726 IonicContact NH2-OD1 3.96Å; R638-D726 PolarHBondContact NH2-OD1 3.39Å; R638-D726 IonicContact NH2-OD2 3.06Å; R638-D726 PolarHBondContact NH2-OD2 3.34Å | ||
| 639 | H | 87.2 | Confident | 93.7 | Very high | 146 Ų | 146 | 53.1 Ų | 53.1 | 68% | 0.676 | 25% | 0.253 | S | S | * | . | trans | -85.4 | 3.8 | -178.1 | -65.7 | -54.6 | 0 | 0 | 0 | 114.8 | L637 | L637-H639 PolarHBondContact O-N 3.38Š| ||
| 640 | E | 91.9 | Very high | 93.8 | Very high | 120 Ų | 120 | 51.9 Ų | 51.9 | 56% | 0.561 | 24% | 0.244 | S | C | * | . | S | Bend | trans | -72.4 | 149 | 177.9 | -71.3 | 175.2 | -155.2 | 0 | 0 | 112.1 | R638 Y642 P643 F644 | R638-E640 VanDerWaalsContact C-N 3.29Å; R638-E640 PolarHBondContact O-N 3.43Å; E640-Y642 PolarHBondContact O-N 3.19Å; E640-P643 VanDerWaalsContact CB-CD 3.44Å; E640-P643 HydrophobicContact CB-CG 3.92Å; E640-P643 WeakPolarHBondContact O-CD 3.5Å; E640-F644 PolarHBondContact O-N 2.95Å |
| 641 | L | 93.4 | Very high | 93.8 | Very high | 123 Ų | 123 | 48.8 Ų | 48.8 | 64% | 0.644 | 23% | 0.228 | S | C | * | . | H | α-helix | trans | -63.5 | -40.3 | 180 | -178.6 | 64.4 | 0 | 0 | 0 | 112.3 | F644 L645 | L641-F644 PolarHBondContact O-N 2.95Å; L641-L645 HydrophobicContact CD1-CD1 4.07Å; L641-L645 HydrophobicContact CD1-CG 4.05Å; L641-L645 HydrophobicContact CD2-CD1 4.41Å; L641-L645 HydrophobicContact CG-CD1 3.87Å; L641-L645 HydrophobicContact CG-CG 4.25Å; L641-L645 WeakPolarHBondContact O-CB 3.44Å; L641-L645 VanDerWaalsContact O-CG 3.3Å; L641-L645 WeakPolarHBondContact O-CG 3.38Å; L641-L645 PolarHBondContact O-N 3.34Å |
| 642 | Y | 93 | Very high | 93.8 | Very high | 124 Ų | 124 | 49.2 Ų | 49.2 | 49% | 0.486 | 23% | 0.233 | S | C | . | . | H | α-helix | trans | -65.1 | -51.9 | -176.1 | 171.8 | -92.8 | 0 | 0 | 0 | 112.6 | E640 F644 L645 L646 | E640-Y642 PolarHBondContact O-N 3.19Å; Y642-F644 VanDerWaalsContact C-N 3.29Å; Y642-F644 PolarHBondContact O-N 3.42Å; Y642-L645 PolarHBondContact O-N 3.35Å; Y642-L646 HydrophobicContact CE1-CD1 4.37Å; Y642-L646 HydrophobicContact CE2-CD1 4.47Å; Y642-L646 WeakPolarHBondContact O-CB 3.47Å; Y642-L646 PolarHBondContact O-N 3.46Å |
| 643 | P | 93.4 | Very high | 93.7 | Very high | 2 Ų | 2 | 50 Ų | 50 | 1% | 0.013 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -59.4 | -35.5 | 174.8 | -27 | 37 | 0 | 0 | 0 | 114 | R638 E640 W647 N722 | R638-P643 HydrophobicContact CB-CB 4.1Å; R638-P643 HydrophobicContact CB-CG 4.22Å; E640-P643 VanDerWaalsContact CB-CD 3.44Å; E640-P643 HydrophobicContact CB-CG 3.92Å; E640-P643 WeakPolarHBondContact O-CD 3.5Å; P643-W647 WeakPolarHBondContact O-CB 3.39Å; P643-W647 PolarHBondContact O-N 3.28Å; P643-N722 WeakPolarHBondContact CA-OD1 3.08Å; P643-N722 PolarHBondContact O-ND2 3.33Å; P643-N722 VanDerWaalsContact O-ND2 3.11Å |
| 644 | F | 95.6 | Very high | 93.8 | Very high | 34 Ų | 34 | 43.9 Ų | 43.9 | 15% | 0.149 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -66.5 | -46.9 | 175.8 | 172.3 | -106.5 | 0 | 0 | 0 | 112 | Y632 Y633 E640 L641 Y642 L646 W647 Q648 | Y632-F644 AromaticContact CD1-CD2 3.55Å; Y632-F644 HydrophobicContact CD1-CD2 3.55Å; Y632-F644 HydrophobicContact CD1-CE2 4.23Å; Y632-F644 HydrophobicContact CD2-CD2 4.49Å; Y632-F644 HydrophobicContact CE1-CB 3.85Å; Y632-F644 AromaticContact CE1-CD2 3.67Å; Y632-F644 HydrophobicContact CE1-CD2 3.67Å; Y632-F644 HydrophobicContact CE1-CG 4.22Å; Y632-F644 AromaticContact CG-CD2 3.97Å; Y632-F644 HydrophobicContact CG-CD2 3.97Å; Y632-F644 HydrophobicContact CG-CE2 4.47Å; Y632-F644 WeakPolarHBondContact OH-CA 3.31Å; Y632-F644 PolarHBondContact OH-N 3.43Å; Y633-F644 HydrophobicContact CE2-CD2 4.4Å; Y633-F644 AromaticContact CE2-CE2 3.9Å; Y633-F644 HydrophobicContact CE2-CE2 3.9Å; Y633-F644 HydrophobicContact CE2-CZ 4.35Å; E640-F644 PolarHBondContact O-N 2.95Å; L641-F644 PolarHBondContact O-N 2.95Å; Y642-F644 VanDerWaalsContact C-N 3.29Å; Y642-F644 PolarHBondContact O-N 3.42Å; F644-L646 VanDerWaalsContact C-N 3.28Å; F644-L646 PolarHBondContact O-N 3.21Å; F644-W647 WeakPolarHBondContact O-CB 3.42Å; F644-W647 PolarHBondContact O-N 3.5Å; F644-Q648 HydrophobicContact CD2-CG 4.48Å; F644-Q648 HydrophobicContact CE1-CG 4.08Å; F644-Q648 HydrophobicContact CE2-CG 4.06Å; F644-Q648 HydrophobicContact CZ-CG 3.84Å; F644-Q648 WeakPolarHBondContact O-CG 3.45Å; F644-Q648 PolarHBondContact O-N 3.47Å |
| 645 | L | 95.4 | Very high | 93.8 | Very high | 94 Ų | 94 | 41.4 Ų | 41.4 | 49% | 0.492 | 20% | 0.2 | S | C | . | . | H | α-helix | trans | -63.7 | -37.2 | 177.3 | -71 | 177.1 | 0 | 0 | 0 | 111.7 | L641 Y642 Q648 F649 | L641-L645 HydrophobicContact CD1-CD1 4.07Å; L641-L645 HydrophobicContact CD1-CG 4.05Å; L641-L645 HydrophobicContact CD2-CD1 4.41Å; L641-L645 HydrophobicContact CG-CD1 3.87Å; L641-L645 HydrophobicContact CG-CG 4.25Å; L641-L645 WeakPolarHBondContact O-CB 3.44Å; L641-L645 VanDerWaalsContact O-CG 3.3Å; L641-L645 WeakPolarHBondContact O-CG 3.38Å; L641-L645 PolarHBondContact O-N 3.34Å; Y642-L645 PolarHBondContact O-N 3.35Å; L645-Q648 PolarHBondContact O-N 2.89Å; L645-F649 WeakPolarHBondContact O-CB 3.41Å; L645-F649 PolarHBondContact O-N 3.26Å |
| 646 | L | 94.2 | Very high | 93.8 | Very high | 7 Ų | 7 | 43.5 Ų | 43.5 | 4% | 0.037 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -64.5 | -45.8 | 175.7 | -158.6 | 114.9 | 0 | 0 | 0 | 111.2 | Y642 F644 Q648 F649 T650 I718 N722 I806 | Y642-L646 HydrophobicContact CE1-CD1 4.37Å; Y642-L646 HydrophobicContact CE2-CD1 4.47Å; Y642-L646 WeakPolarHBondContact O-CB 3.47Å; Y642-L646 PolarHBondContact O-N 3.46Å; F644-L646 VanDerWaalsContact C-N 3.28Å; F644-L646 PolarHBondContact O-N 3.21Å; L646-Q648 VanDerWaalsContact C-N 3.34Å; L646-Q648 PolarHBondContact O-N 3.21Å; L646-F649 PolarHBondContact O-N 2.95Å; L646-T650 PolarHBondContact O-N 3.29Å; L646-T650 PolarHBondContact O-OG1 2.98Å; L646-I718 HydrophobicContact CD2-CG2 3.5Å; L646-I718 HydrophobicContact CG-CG2 4.46Å; L646-N722 HydrophobicContact CD2-CB 3.65Å; L646-I806 HydrophobicContact CD1-CG2 3.77Å; L646-I806 HydrophobicContact CD2-CG2 3.94Å; L646-I806 HydrophobicContact CG-CG2 4.33Å |
| 647 | W | 95.3 | Very high | 94 | Very high | 2 Ų | 2 | 42.5 Ų | 42.5 | 1% | 0.008 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -52.4 | -50.8 | 171.8 | 167.9 | -89 | 0 | 0 | 0 | 111.7 | F568 T571 Y632 L637 P643 F644 F649 T650 I651 L719 | F568-W647 HydrophobicContact CD1-CH2 4.41Å; F568-W647 AromaticContact CD1-CZ3 3.7Å; F568-W647 HydrophobicContact CD1-CZ3 3.7Å; F568-W647 HydrophobicContact CE1-CE3 4.44Å; F568-W647 AromaticContact CE1-CZ3 3.74Å; F568-W647 HydrophobicContact CE1-CZ3 3.74Å; T571-W647 HydrophobicContact CG2-CH2 3.86Å; T571-W647 HydrophobicContact CG2-CZ2 3.93Å; Y632-W647 HydrophobicContact CD2-CB 4Å; Y632-W647 AromaticContact CD2-CD1 3.75Å; Y632-W647 AromaticContact CD2-CD2 3.67Å; Y632-W647 HydrophobicContact CD2-CD2 3.67Å; Y632-W647 HydrophobicContact CD2-CE3 4.17Å; Y632-W647 AromaticContact CD2-CG 3.54Å; Y632-W647 HydrophobicContact CD2-CG 3.54Å; Y632-W647 HydrophobicContact CE2-CB 3.8Å; Y632-W647 HydrophobicContact CE2-CD2 4.19Å; Y632-W647 HydrophobicContact CE2-CE3 4.46Å; Y632-W647 AromaticContact CE2-CG 3.87Å; Y632-W647 HydrophobicContact CE2-CG 3.87Å; L637-W647 HydrophobicContact CD1-CE3 4.35Å; L637-W647 HydrophobicContact CD1-CZ3 4.24Å; P643-W647 WeakPolarHBondContact O-CB 3.39Å; P643-W647 PolarHBondContact O-N 3.28Å; F644-W647 WeakPolarHBondContact O-CB 3.42Å; F644-W647 PolarHBondContact O-N 3.5Å; W647-F649 PolarHBondContact O-N 3.39Å; W647-T650 PolarHBondContact O-N 2.75Å; W647-I651 HydrophobicContact CD2-CG2 4.45Å; W647-I651 HydrophobicContact CZ2-CG2 4.37Å; W647-I651 WeakPolarHBondContact O-CG1 3.47Å; W647-I651 WeakPolarHBondContact O-CG2 3.46Å; W647-I651 PolarHBondContact O-N 2.98Å; W647-L719 HydrophobicContact CD2-CD2 4.36Å; W647-L719 HydrophobicContact CE3-CD1 4.14Å; W647-L719 HydrophobicContact CE3-CD2 3.55Å; W647-L719 HydrophobicContact CE3-CG 4.39Å; W647-L719 HydrophobicContact CZ3-CD1 3.76Å; W647-L719 HydrophobicContact CZ3-CD2 4.05Å; W647-L719 HydrophobicContact CZ3-CG 4.42Å |
| 648 | Q | 95.3 | Very high | 94.1 | Very high | 22 Ų | 22 | 42.4 Ų | 42.4 | 10% | 0.103 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -60.4 | -44.7 | 178.8 | -67.4 | -61.1 | -23.7 | 0 | 0 | 112 | F625 S629 F644 L645 L646 I651 G652 | F625-Q648 WeakPolarHBondContact CE1-O 3.3Å; S629-Q648 PolarHBondContact OG-NE2 3.32Å; F644-Q648 HydrophobicContact CD2-CG 4.48Å; F644-Q648 HydrophobicContact CE1-CG 4.08Å; F644-Q648 HydrophobicContact CE2-CG 4.06Å; F644-Q648 HydrophobicContact CZ-CG 3.84Å; F644-Q648 WeakPolarHBondContact O-CG 3.45Å; F644-Q648 PolarHBondContact O-N 3.47Å; L645-Q648 PolarHBondContact O-N 2.89Å; L646-Q648 VanDerWaalsContact C-N 3.34Å; L646-Q648 PolarHBondContact O-N 3.21Å; Q648-I651 VanDerWaalsContact O-CG1 3.22Å; Q648-I651 WeakPolarHBondContact O-CG1 3.39Å; Q648-G652 PolarHBondContact O-N 2.95Å |
| 649 | F | 95.1 | Very high | 94.3 | Very high | 102 Ų | 102 | 40.6 Ų | 40.6 | 45% | 0.447 | 19% | 0.192 | S | C | . | . | H | α-helix | trans | -62.8 | -47.5 | 179.8 | -174.3 | -105.7 | 0 | 0 | 0 | 111.5 | L645 L646 W647 G652 L653 W807 E810 | L645-F649 WeakPolarHBondContact O-CB 3.41Å; L645-F649 PolarHBondContact O-N 3.26Å; L646-F649 PolarHBondContact O-N 2.95Å; W647-F649 PolarHBondContact O-N 3.39Å; F649-G652 PolarHBondContact O-N 3.11Å; F649-L653 HydrophobicContact CE1-CD2 4.48Å; F649-L653 WeakPolarHBondContact O-CB 3.39Å; F649-L653 PolarHBondContact O-N 3.47Å; F649-W807 HydrophobicContact CE1-CZ3 4.29Å; F649-E810 HydrophobicContact CD1-CG 4.27Å; F649-E810 HydrophobicContact CE1-CB 4.35Å; F649-E810 HydrophobicContact CE1-CG 4.11Å |
| 650 | T | 95.7 | Very high | 94.7 | Very high | 1 Ų | 1 | 33.7 Ų | 33.7 | 1% | 0.006 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -61.7 | -46.7 | 179.6 | -52 | 0 | 0 | 0 | 0 | 111.9 | L646 W647 G652 L653 L654 A715 I718 L719 E810 | L646-T650 PolarHBondContact O-N 3.29Å; L646-T650 PolarHBondContact O-OG1 2.98Å; W647-T650 PolarHBondContact O-N 2.75Å; T650-G652 VanDerWaalsContact C-N 3.31Å; T650-G652 PolarHBondContact O-N 3.04Å; T650-L653 PolarHBondContact O-N 2.9Å; T650-L654 VanDerWaalsContact O-CB 3.24Å; T650-L654 WeakPolarHBondContact O-CB 3.44Å; T650-L654 PolarHBondContact O-N 2.88Å; T650-A715 HydrophobicContact CG2-CB 4.02Å; T650-I718 HydrophobicContact CG2-CB 4.17Å; T650-I718 HydrophobicContact CG2-CD1 3.96Å; T650-I718 HydrophobicContact CG2-CG2 4.1Å; T650-I718 VanDerWaalsContact OG1-CG2 3.24Å; T650-I718 WeakPolarHBondContact OG1-CG2 3.49Å; T650-L719 HydrophobicContact CG2-CD2 4.21Å; T650-L719 HydrophobicContact CG2-CG 4.36Å; T650-E810 WeakPolarHBondContact CA-OE1 3.49Å; T650-E810 WeakPolarHBondContact CB-OE1 3.17Å; T650-E810 PolarHBondContact OG1-OE1 2.83Å |
| 651 | I | 95.1 | Very high | 94.9 | Very high | 1 Ų | 1 | 28.5 Ų | 28.5 | 1% | 0.005 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -66.3 | -35.1 | 179 | 65.7 | 175 | 0 | 0 | 0 | 111.9 | L575 F625 L628 W647 Q648 T655 | L575-I651 HydrophobicContact CD1-CB 3.73Å; L575-I651 HydrophobicContact CD1-CG2 3.97Å; F625-I651 HydrophobicContact CD1-CD1 4.3Å; F625-I651 HydrophobicContact CD1-CG1 4.26Å; F625-I651 HydrophobicContact CE1-CG1 4.32Å; L628-I651 HydrophobicContact CB-CD1 3.78Å; L628-I651 HydrophobicContact CD1-CB 4.4Å; L628-I651 HydrophobicContact CD1-CD1 3.9Å; L628-I651 HydrophobicContact CD1-CG2 4.36Å; L628-I651 HydrophobicContact CG-CD1 4.47Å; W647-I651 HydrophobicContact CD2-CG2 4.45Å; W647-I651 HydrophobicContact CZ2-CG2 4.37Å; W647-I651 WeakPolarHBondContact O-CG1 3.47Å; W647-I651 WeakPolarHBondContact O-CG2 3.46Å; W647-I651 PolarHBondContact O-N 2.98Å; Q648-I651 VanDerWaalsContact O-CG1 3.22Å; Q648-I651 WeakPolarHBondContact O-CG1 3.39Å; I651-T655 WeakPolarHBondContact O-CB 3.45Å; I651-T655 PolarHBondContact O-N 3.39Å; I651-T655 PolarHBondContact O-OG1 3.29Å |
| 652 | G | 93.8 | Very high | 95.1 | Very high | 9 Ų | 9 | 22.7 Ų | 22.7 | 9% | 0.093 | 11% | 0.106 | C | C | . | . | H | α-helix | trans | -65.8 | -47.8 | 176.7 | 0 | 0 | 0 | 0 | 0 | 111.7 | F625 Q648 F649 T650 T655 F656 | F625-G652 VanDerWaalsContact CE1-CA 3.43Å; Q648-G652 PolarHBondContact O-N 2.95Å; F649-G652 PolarHBondContact O-N 3.11Å; T650-G652 VanDerWaalsContact C-N 3.31Å; T650-G652 PolarHBondContact O-N 3.04Å; G652-T655 PolarHBondContact O-N 3.4Å; G652-F656 WeakPolarHBondContact O-CB 3.24Å; G652-F656 PolarHBondContact O-N 2.91Å |
| 653 | L | 94.9 | Very high | 95.1 | Very high | 19 Ų | 19 | 16.8 Ų | 16.8 | 10% | 0.099 | 8% | 0.083 | C | C | . | . | H | α-helix | trans | -67.5 | -40.1 | 179.1 | -172 | 64 | 0 | 0 | 0 | 111.8 | F649 T650 T655 F656 S657 E810 I813 F814 | F649-L653 HydrophobicContact CE1-CD2 4.48Å; F649-L653 WeakPolarHBondContact O-CB 3.39Å; F649-L653 PolarHBondContact O-N 3.47Å; T650-L653 PolarHBondContact O-N 2.9Å; L653-T655 PolarHBondContact O-N 2.95Å; L653-F656 PolarHBondContact O-N 3.5Å; L653-S657 WeakPolarHBondContact O-CB 3.42Å; L653-S657 PolarHBondContact O-N 2.96Å; L653-E810 VanDerWaalsContact CD2-O 3.31Å; L653-E810 WeakPolarHBondContact CD2-O 3.37Å; L653-E810 WeakPolarHBondContact CD2-OE2 3.36Å; L653-I813 HydrophobicContact CD2-CB 3.87Å; L653-I813 HydrophobicContact CD2-CG2 4.04Å; L653-I813 HydrophobicContact CG-CB 4.18Å; L653-I813 HydrophobicContact CG-CG2 3.76Å; L653-F814 HydrophobicContact CD1-CB 4.31Å; L653-F814 HydrophobicContact CD1-CD2 4.04Å; L653-F814 HydrophobicContact CD2-CB 4.16Å |
| 654 | L | 95.8 | Very high | 95.2 | Very high | 0 Ų | 0 | 17.2 Ų | 17.2 | 0% | 0 | 9% | 0.086 | C | C | . | . | H | α-helix | trans | -59.4 | -47.7 | 174.3 | 179.2 | 67.2 | 0 | 0 | 0 | 111.2 | C572 L575 T650 F656 S657 A658 I711 A715 | C572-L654 HydrophobicContact CB-CD2 3.69Å; L575-L654 HydrophobicContact CB-CD2 4.23Å; L575-L654 HydrophobicContact CD1-CD2 4.18Å; T650-L654 VanDerWaalsContact O-CB 3.24Å; T650-L654 WeakPolarHBondContact O-CB 3.44Å; T650-L654 PolarHBondContact O-N 2.88Å; L654-F656 VanDerWaalsContact C-N 3.33Å; L654-F656 PolarHBondContact O-N 3.42Å; L654-S657 PolarHBondContact O-N 2.95Å; L654-A658 WeakPolarHBondContact O-CB 3.47Å; L654-A658 PolarHBondContact O-N 3.48Å; L654-I711 HydrophobicContact CD1-CB 4.07Å; L654-I711 HydrophobicContact CD1-CD1 3.88Å; L654-I711 HydrophobicContact CD1-CG1 3.93Å; L654-A715 HydrophobicContact CD1-CB 4.07Å; L654-A715 HydrophobicContact CD2-CB 4.02Å; L654-A715 HydrophobicContact CG-CB 4.44Å |
| 655 | T | 94.9 | Very high | 95.2 | Very high | 1 Ų | 1 | 16.5 Ų | 16.5 | 1% | 0.006 | 8% | 0.084 | C | C | . | . | H | α-helix | trans | -62.1 | -42.3 | 178.6 | -57.1 | 0 | 0 | 0 | 0 | 111.3 | K620 I651 G652 L653 S659 | K620-T655 HydrophobicContact CB-CG2 3.65Å; I651-T655 WeakPolarHBondContact O-CB 3.45Å; I651-T655 PolarHBondContact O-N 3.39Å; I651-T655 PolarHBondContact O-OG1 3.29Å; G652-T655 PolarHBondContact O-N 3.4Å; L653-T655 PolarHBondContact O-N 2.95Å; T655-S659 WeakPolarHBondContact O-CB 3.2Å; T655-S659 PolarHBondContact O-N 3.44Å; T655-S659 PolarHBondContact O-OG 3.27Å |
| 656 | F | 94.5 | Very high | 95.2 | Very high | 44 Ų | 44 | 12 Ų | 12 | 19% | 0.193 | 6% | 0.061 | C | C | . | . | H | α-helix | trans | -63.1 | -45 | 175.6 | 179.3 | -102.6 | 0 | 0 | 0 | 111.9 | I612 V616 G652 L653 L654 S659 A660 A817 L821 | I612-F656 HydrophobicContact CG2-CE2 3.89Å; V616-F656 HydrophobicContact CG1-CD2 4.13Å; G652-F656 WeakPolarHBondContact O-CB 3.24Å; G652-F656 PolarHBondContact O-N 2.91Å; L653-F656 PolarHBondContact O-N 3.5Å; L654-F656 VanDerWaalsContact C-N 3.33Å; L654-F656 PolarHBondContact O-N 3.42Å; F656-S659 WeakPolarHBondContact O-CB 3.4Å; F656-S659 PolarHBondContact O-N 2.99Å; F656-A660 PolarHBondContact O-N 3.33Å; F656-A817 HydrophobicContact CD1-CB 4Å; F656-A817 HydrophobicContact CE1-CB 4.04Å; F656-L821 HydrophobicContact CE1-CD1 4.12Å; F656-L821 HydrophobicContact CZ-CD1 3.7Å |
| 657 | S | 95.3 | Very high | 95.1 | Very high | 0 Ų | 0 | 12 Ų | 12 | 0% | 0 | 6% | 0.062 | C | C | . | . | H | α-helix | trans | -65.8 | -42.8 | 178.7 | -170.6 | 0 | 0 | 0 | 0 | 112.5 | L653 L654 S659 A660 I661 | L653-S657 WeakPolarHBondContact O-CB 3.42Å; L653-S657 PolarHBondContact O-N 2.96Å; L654-S657 PolarHBondContact O-N 2.95Å; S657-S659 VanDerWaalsContact C-N 3.28Å; S657-S659 PolarHBondContact O-N 3.37Å; S657-A660 WeakPolarHBondContact O-CB 3.47Å; S657-A660 PolarHBondContact O-N 3.37Å; S657-I661 WeakPolarHBondContact O-CG1 3.43Å; S657-I661 PolarHBondContact O-N 3.46Å |
| 658 | A | 96 | Very high | 95 | Very high | 0 Ų | 0 | 16.6 Ų | 16.6 | 0% | 0 | 8% | 0.084 | C | C | . | . | H | α-helix | trans | -61.7 | -38.9 | 174.9 | 0 | 0 | 0 | 0 | 0 | 111.6 | L576 S579 L654 I661 T662 I711 | L576-A658 HydrophobicContact CD1-CB 3.83Å; S579-A658 WeakPolarHBondContact OG-CB 3.39Å; L654-A658 WeakPolarHBondContact O-CB 3.47Å; L654-A658 PolarHBondContact O-N 3.48Å; A658-I661 PolarHBondContact O-N 3.13Å; A658-T662 WeakPolarHBondContact O-CB 3.44Å; A658-T662 PolarHBondContact O-N 3.24Å; A658-T662 PolarHBondContact O-OG1 3.4Å; A658-I711 HydrophobicContact CB-CD1 4.04Å |
| 659 | S | 95.2 | Very high | 94.9 | Very high | 1 Ų | 1 | 16.3 Ų | 16.3 | 1% | 0.007 | 9% | 0.085 | C | C | . | . | H | α-helix | trans | -64.7 | -42.1 | 173.6 | -60.3 | 0 | 0 | 0 | 0 | 112 | L582 T655 F656 S657 T662 F663 | L582-S659 VanDerWaalsContact CD1-CB 3.44Å; L582-S659 VanDerWaalsContact CD1-OG 3.27Å; L582-S659 WeakPolarHBondContact CD1-OG 3.13Å; T655-S659 WeakPolarHBondContact O-CB 3.2Å; T655-S659 PolarHBondContact O-N 3.44Å; T655-S659 PolarHBondContact O-OG 3.27Å; F656-S659 WeakPolarHBondContact O-CB 3.4Å; F656-S659 PolarHBondContact O-N 2.99Å; S657-S659 VanDerWaalsContact C-N 3.28Å; S657-S659 PolarHBondContact O-N 3.37Å; S659-T662 WeakPolarHBondContact O-CB 3.26Å; S659-T662 PolarHBondContact O-N 3.27Å; S659-F663 PolarHBondContact O-N 2.75Å |
| 660 | A | 95.6 | Very high | 94.6 | Very high | 2 Ų | 2 | 18 Ų | 18 | 2% | 0.017 | 10% | 0.098 | C | C | . | . | H | α-helix | trans | -61.4 | -43.5 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | F656 S657 T662 F663 A664 A817 A820 L821 | F656-A660 PolarHBondContact O-N 3.33Å; S657-A660 WeakPolarHBondContact O-CB 3.47Å; S657-A660 PolarHBondContact O-N 3.37Å; A660-T662 VanDerWaalsContact C-N 3.35Å; A660-F663 PolarHBondContact O-N 3.44Å; A660-A664 PolarHBondContact O-N 2.86Å; A660-A817 HydrophobicContact CB-CB 4.38Å; A660-A820 HydrophobicContact CB-CB 4.03Å; A660-L821 HydrophobicContact CB-CD1 4.49Å; A660-L821 HydrophobicContact CB-CD2 3.66Å; A660-L821 HydrophobicContact CB-CG 3.7Å |
| 661 | I | 96.2 | Very high | 94.4 | Very high | 11 Ų | 11 | 21.4 Ų | 21.4 | 6% | 0.056 | 12% | 0.116 | C | C | . | . | H | α-helix | trans | -61.7 | -45.2 | 174.7 | -68.8 | 160.1 | 0 | 0 | 0 | 110.4 | S657 A658 F663 A664 V665 L679 L682 F683 M686 I711 I816 A820 | S657-I661 WeakPolarHBondContact O-CG1 3.43Å; S657-I661 PolarHBondContact O-N 3.46Å; A658-I661 PolarHBondContact O-N 3.13Å; I661-F663 VanDerWaalsContact C-N 3.29Å; I661-F663 PolarHBondContact O-N 3.02Å; I661-A664 WeakPolarHBondContact O-CB 3.27Å; I661-A664 PolarHBondContact O-N 3.4Å; I661-A664 VanDerWaalsContact O-N 3.13Å; I661-V665 PolarHBondContact O-N 3.47Å; I661-L679 HydrophobicContact CG2-CD1 4.32Å; I661-L682 HydrophobicContact CG2-CD2 3.4Å; I661-F683 HydrophobicContact CG2-CE1 4.28Å; I661-M686 HydrophobicContact CD1-CE 3.97Å; I661-M686 HydrophobicContact CD1-SD 4.48Å; I661-I711 HydrophobicContact CD1-CD1 3.75Å; I661-I711 HydrophobicContact CD1-CG1 4.44Å; I661-I711 HydrophobicContact CD1-CG2 4.32Å; I661-I816 HydrophobicContact CD1-CG2 4.32Å; I661-A820 HydrophobicContact CG1-CB 4.05Å |
| 662 | T | 96.1 | Very high | 94.3 | Very high | 0 Ų | 0 | 27.9 Ų | 27.9 | 0% | 0 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -60.9 | -39.8 | 177.9 | -57.6 | 0 | 0 | 0 | 0 | 111.4 | L582 L583 A658 S659 A660 V665 S666 L679 | L582-T662 HydrophobicContact CB-CG2 3.88Å; L583-T662 HydrophobicContact CB-CG2 3.91Å; A658-T662 WeakPolarHBondContact O-CB 3.44Å; A658-T662 PolarHBondContact O-N 3.24Å; A658-T662 PolarHBondContact O-OG1 3.4Å; S659-T662 WeakPolarHBondContact O-CB 3.26Å; S659-T662 PolarHBondContact O-N 3.27Å; A660-T662 VanDerWaalsContact C-N 3.35Å; T662-V665 PolarHBondContact O-N 2.93Å; T662-S666 VanDerWaalsContact O-CB 3.28Å; T662-S666 WeakPolarHBondContact O-CB 3.42Å; T662-S666 PolarHBondContact O-N 2.8Å; T662-L679 HydrophobicContact CG2-CD2 3.8Å |
| 663 | F | 94.7 | Very high | 94.3 | Very high | 1 Ų | 1 | 36.6 Ų | 36.6 | 0% | 0.004 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -65.9 | -37.7 | 173.7 | -79.4 | -28.8 | 0 | 0 | 0 | 113.7 | L582 V585 F586 I612 V616 S659 A660 I661 S666 A667 L821 A824 | L582-F663 HydrophobicContact CB-CE1 4.23Å; L582-F663 HydrophobicContact CD2-CE1 4.48Å; L582-F663 HydrophobicContact CD2-CZ 4.44Å; V585-F663 HydrophobicContact CB-CE1 4.12Å; V585-F663 HydrophobicContact CG1-CE1 4.21Å; V585-F663 HydrophobicContact CG2-CE1 4.41Å; F586-F663 HydrophobicContact CD2-CB 4.46Å; F586-F663 AromaticContact CD2-CD1 3.8Å; F586-F663 HydrophobicContact CD2-CD1 3.8Å; F586-F663 HydrophobicContact CD2-CE1 4.44Å; F586-F663 HydrophobicContact CD2-CG 4.38Å; F586-F663 HydrophobicContact CE2-CB 3.88Å; F586-F663 AromaticContact CE2-CD1 3.42Å; F586-F663 HydrophobicContact CE2-CD1 3.42Å; F586-F663 VanDerWaalsContact CE2-CD1 3.42Å; F586-F663 HydrophobicContact CE2-CD2 4.43Å; F586-F663 HydrophobicContact CE2-CE1 4.01Å; F586-F663 AromaticContact CE2-CG 3.67Å; F586-F663 HydrophobicContact CE2-CG 3.67Å; F586-F663 HydrophobicContact CZ-CD1 4.31Å; I612-F663 HydrophobicContact CG1-CD2 4.45Å; I612-F663 HydrophobicContact CG1-CE2 4.09Å; V616-F663 HydrophobicContact CG2-CD2 4.42Å; V616-F663 HydrophobicContact CG2-CE2 3.38Å; V616-F663 HydrophobicContact CG2-CZ 3.78Å; S659-F663 PolarHBondContact O-N 2.75Å; A660-F663 PolarHBondContact O-N 3.44Å; I661-F663 VanDerWaalsContact C-N 3.29Å; I661-F663 PolarHBondContact O-N 3.02Å; F663-S666 PolarHBondContact O-N 3.16Å; F663-A667 WeakPolarHBondContact O-CB 3.4Å; F663-A667 PolarHBondContact O-N 3.2Å; F663-L821 HydrophobicContact CD2-CD2 4.5Å; F663-A824 HydrophobicContact CB-CB 4.46Å |
| 664 | A | 95.2 | Very high | 94.3 | Very high | 11 Ų | 11 | 40.2 Ų | 40.2 | 9% | 0.091 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -59.8 | -49.2 | 174 | 0 | 0 | 0 | 0 | 0 | 110.8 | A660 I661 S666 A667 M668 A820 V823 A824 | A660-A664 PolarHBondContact O-N 2.86Å; I661-A664 WeakPolarHBondContact O-CB 3.27Å; I661-A664 PolarHBondContact O-N 3.4Å; I661-A664 VanDerWaalsContact O-N 3.13Å; A664-S666 PolarHBondContact O-N 3.47Å; A664-A667 PolarHBondContact O-N 3.08Å; A664-M668 WeakPolarHBondContact O-CG 3.37Å; A664-M668 PolarHBondContact O-N 3.37Å; A664-M668 VanDerWaalsContact O-N 3.09Å; A664-A820 HydrophobicContact CB-CB 4.41Å; A664-V823 HydrophobicContact CB-CG1 4.31Å; A664-A824 HydrophobicContact CB-CB 4.31Å |
| 665 | V | 95.9 | Very high | 94.3 | Very high | 18 Ų | 18 | 40.2 Ų | 40.2 | 11% | 0.109 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -62.4 | -43.5 | 177 | 179.7 | 0 | 0 | 0 | 0 | 111.3 | L583 I661 T662 A667 M668 V669 L678 L679 | L583-V665 HydrophobicContact CD1-CB 4.33Å; L583-V665 HydrophobicContact CD1-CG1 3.96Å; I661-V665 PolarHBondContact O-N 3.47Å; T662-V665 PolarHBondContact O-N 2.93Å; V665-A667 VanDerWaalsContact C-N 3.3Å; V665-A667 PolarHBondContact O-N 3.47Å; V665-M668 PolarHBondContact O-N 3.09Å; V665-V669 HydrophobicContact CG1-CG2 4.2Å; V665-V669 WeakPolarHBondContact O-CG2 3.32Å; V665-V669 PolarHBondContact O-N 2.87Å; V665-V669 VanDerWaalsContact O-N 3.09Å; V665-L678 HydrophobicContact CG1-CB 4.46Å; V665-L679 HydrophobicContact CB-CD1 4.49Å; V665-L679 HydrophobicContact CG1-CB 4.49Å; V665-L679 HydrophobicContact CG2-CD1 4.06Å |
| 666 | S | 94.7 | Very high | 94.2 | Very high | 0 Ų | 0 | 42.6 Ų | 42.6 | 0% | 0 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -60.6 | -36.6 | 177.7 | -171.4 | 0 | 0 | 0 | 0 | 113.1 | L583 F586 R590 T662 F663 A664 | L583-S666 WeakPolarHBondContact O-CB 3.33Å; L583-S666 PolarHBondContact O-OG 3.46Å; F586-S666 WeakPolarHBondContact CB-OG 3.35Å; F586-S666 PolarHBondContact N-OG 3.33Å; R590-S666 PolarHBondContact NH2-O 2.94Å; R590-S666 VanDerWaalsContact NH2-O 3.16Å; T662-S666 VanDerWaalsContact O-CB 3.28Å; T662-S666 WeakPolarHBondContact O-CB 3.42Å; T662-S666 PolarHBondContact O-N 2.8Å; F663-S666 PolarHBondContact O-N 3.16Å; A664-S666 PolarHBondContact O-N 3.47Å |
| 667 | A | 92.4 | Very high | 94.3 | Very high | 6 Ų | 6 | 46.3 Ų | 46.3 | 5% | 0.05 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -74.4 | -31.7 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.9 | F663 A664 V665 A824 H827 L828 | F663-A667 WeakPolarHBondContact O-CB 3.4Å; F663-A667 PolarHBondContact O-N 3.2Å; A664-A667 PolarHBondContact O-N 3.08Å; V665-A667 VanDerWaalsContact C-N 3.3Å; V665-A667 PolarHBondContact O-N 3.47Å; A667-A824 HydrophobicContact CB-CB 4.32Å; A667-H827 HydrophobicContact CB-CB 4.19Å; A667-L828 HydrophobicContact CB-CG 4.34Å |
| 668 | M | 92.2 | Very high | 94.3 | Very high | 99 Ų | 99 | 50.4 Ų | 50.4 | 49% | 0.488 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -79.3 | -35.7 | -177.4 | -70.4 | 173.3 | 75.6 | 0 | 0 | 113.4 | A664 V665 V823 | A664-M668 WeakPolarHBondContact O-CG 3.37Å; A664-M668 PolarHBondContact O-N 3.37Å; A664-M668 VanDerWaalsContact O-N 3.09Å; V665-M668 PolarHBondContact O-N 3.09Å; M668-V823 HydrophobicContact SD-CG1 4.12Å |
| 669 | V | 93.2 | Very high | 94.3 | Very high | 17 Ų | 17 | 50.7 Ų | 50.7 | 10% | 0.103 | 25% | 0.249 | C | C | . | . | trans | -97.1 | 148.2 | -170.9 | -175.2 | 0 | 0 | 0 | 0 | 110.9 | L587 R590 V665 D671 I674 L678 | L587-V669 WeakPolarHBondContact CD2-O 3.36Å; R590-V669 PolarHBondContact NH1-O 2.93Å; R590-V669 PolarHBondContact NH2-O 3.05Å; V665-V669 HydrophobicContact CG1-CG2 4.2Å; V665-V669 WeakPolarHBondContact O-CG2 3.32Å; V665-V669 PolarHBondContact O-N 2.87Å; V665-V669 VanDerWaalsContact O-N 3.09Å; V669-D671 WeakPolarHBondContact CG1-O 3.44Å; V669-I674 HydrophobicContact CG1-CB 3.87Å; V669-I674 HydrophobicContact CG1-CG2 3.9Å; V669-L678 HydrophobicContact CG2-CD1 3.87Å | ||
| 670 | N | 89.2 | Confident | 94.3 | Very high | 137 Ų | 137 | 53.5 Ų | 53.5 | 73% | 0.733 | 27% | 0.269 | S | S | * | . | S | Bend | trans | -96 | -26.2 | 176 | -59.2 | -17.2 | 0 | 0 | 0 | 113.4 | R590 | R590-N670 PolarHBondContact NH1-OD1 2.7Š|
| 671 | D | 92 | Very high | 94.2 | Very high | 72 Ų | 72 | 60.1 Ų | 60.1 | 39% | 0.385 | 30% | 0.301 | S | S | . | . | S | Bend | trans | -112 | 134.7 | -176.4 | -172.3 | -74.6 | 0 | 0 | 0 | 111.9 | V669 R673 I674 G675 | V669-D671 WeakPolarHBondContact CG1-O 3.44Å; D671-R673 PolarHBondContact O-N 2.87Å; D671-R673 WeakPolarHBondContact OD1-CA 3.38Å; D671-R673 VanDerWaalsContact OD1-CB 3.25Å; D671-R673 WeakPolarHBondContact OD1-CB 3.29Å; D671-R673 PolarHBondContact OD1-N 3.48Å; D671-I674 HydrophobicContact CB-CB 4.41Å; D671-I674 HydrophobicContact CB-CD1 4.05Å; D671-I674 HydrophobicContact CB-CG1 4.17Å; D671-I674 PolarHBondContact O-N 3.33Å; D671-I674 PolarHBondContact OD1-N 3.35Å; D671-G675 PolarHBondContact O-N 3.23Å; D671-G675 VanDerWaalsContact O-N 3.08Å |
| 672 | R | 92.1 | Very high | 94.1 | Very high | 138 Ų | 138 | 62 Ų | 62 | 52% | 0.521 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -62.2 | -38.6 | -178.7 | -178.9 | 177.5 | 63.4 | 129.2 | 6.5 | 113.8 | E584 L587 G675 S676 | E584-R672 HydrophobicContact CG-CG 4.42Å; E584-R672 WeakPolarHBondContact OE1-CD 3.25Å; E584-R672 IonicContact OE1-CZ 3.71Å; E584-R672 IonicContact OE1-NE 3.39Å; E584-R672 IonicContact OE1-NH1 3.38Å; E584-R672 PolarHBondContact OE1-NH1 3.47Å; L587-R672 HydrophobicContact CD1-CB 4.02Å; L587-R672 HydrophobicContact CD1-CG 4.42Å; R672-G675 PolarHBondContact O-N 3.42Å; R672-S676 WeakPolarHBondContact O-CB 3.4Å; R672-S676 PolarHBondContact O-N 3.16Å; R672-S676 PolarHBondContact O-OG 2.99Å |
| 673 | R | 94.5 | Very high | 94 | Very high | 192 Ų | 192 | 62.2 Ų | 62.2 | 73% | 0.725 | 31% | 0.312 | S | S | * | . | H | α-helix | trans | -66.2 | -47.8 | -177.5 | -56.4 | 179.7 | -173.3 | -174.9 | 1.9 | 109.9 | D671 G675 S676 I677 | D671-R673 PolarHBondContact O-N 2.87Å; D671-R673 WeakPolarHBondContact OD1-CA 3.38Å; D671-R673 VanDerWaalsContact OD1-CB 3.25Å; D671-R673 WeakPolarHBondContact OD1-CB 3.29Å; D671-R673 PolarHBondContact OD1-N 3.48Å; R673-G675 VanDerWaalsContact C-N 3.32Å; R673-G675 PolarHBondContact O-N 3.49Å; R673-S676 PolarHBondContact O-N 2.96Å; R673-I677 WeakPolarHBondContact O-CG1 3.46Å; R673-I677 PolarHBondContact O-N 3.28Å; R673-I677 VanDerWaalsContact O-N 3.12Å |
| 674 | I | 94.7 | Very high | 93.9 | Very high | 95 Ų | 95 | 65.1 Ų | 65.1 | 49% | 0.487 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -60.4 | -44.6 | 177.1 | -59.6 | 177.5 | 0 | 0 | 0 | 110.2 | V669 D671 S676 I677 L678 | V669-I674 HydrophobicContact CG1-CB 3.87Å; V669-I674 HydrophobicContact CG1-CG2 3.9Å; D671-I674 HydrophobicContact CB-CB 4.41Å; D671-I674 HydrophobicContact CB-CD1 4.05Å; D671-I674 HydrophobicContact CB-CG1 4.17Å; D671-I674 PolarHBondContact O-N 3.33Å; D671-I674 PolarHBondContact OD1-N 3.35Å; I674-S676 VanDerWaalsContact C-N 3.3Å; I674-S676 PolarHBondContact O-N 2.92Å; I674-I677 PolarHBondContact O-N 3.46Å; I674-L678 HydrophobicContact CG2-CD1 3.98Å; I674-L678 HydrophobicContact CG2-CG 4.49Å; I674-L678 WeakPolarHBondContact O-CG 3.5Å; I674-L678 PolarHBondContact O-N 3.47Å |
| 675 | G | 95 | Very high | 93.7 | Very high | 0 Ų | 0 | 68.1 Ų | 68.1 | 0% | 0 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -60.7 | -39.1 | 178.2 | 0 | 0 | 0 | 0 | 0 | 112.8 | L583 D671 R672 R673 L679 | L583-G675 VanDerWaalsContact CD2-C 3.4Å; D671-G675 PolarHBondContact O-N 3.23Å; D671-G675 VanDerWaalsContact O-N 3.08Å; R672-G675 PolarHBondContact O-N 3.42Å; R673-G675 VanDerWaalsContact C-N 3.32Å; R673-G675 PolarHBondContact O-N 3.49Å; G675-L679 VanDerWaalsContact O-CB 3.28Å; G675-L679 WeakPolarHBondContact O-CB 3.34Å; G675-L679 PolarHBondContact O-N 3.44Å |
| 676 | S | 94.7 | Very high | 93.6 | Very high | 50 Ų | 50 | 67.5 Ų | 67.5 | 35% | 0.35 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -69.8 | -37.7 | -178.7 | -55.7 | 0 | 0 | 0 | 0 | 111.9 | L583 R672 R673 I674 S680 | L583-S676 VanDerWaalsContact CD2-N 3.34Å; L583-S676 WeakPolarHBondContact CD2-OG 3.35Å; R672-S676 WeakPolarHBondContact O-CB 3.4Å; R672-S676 PolarHBondContact O-N 3.16Å; R672-S676 PolarHBondContact O-OG 2.99Å; R673-S676 PolarHBondContact O-N 2.96Å; I674-S676 VanDerWaalsContact C-N 3.3Å; I674-S676 PolarHBondContact O-N 2.92Å; S676-S680 VanDerWaalsContact O-CB 3.29Å; S676-S680 WeakPolarHBondContact O-CB 3.44Å; S676-S680 PolarHBondContact O-N 3.47Å; S676-S680 PolarHBondContact O-OG 3.37Å |
| 677 | I | 95.7 | Very high | 93.5 | Very high | 122 Ų | 122 | 69.7 Ų | 69.7 | 63% | 0.626 | 35% | 0.351 | S | S | * | . | H | α-helix | trans | -65.3 | -49.6 | 175.8 | -66.4 | 166.1 | 0 | 0 | 0 | 110 | R673 I674 L679 S680 M681 | R673-I677 WeakPolarHBondContact O-CG1 3.46Å; R673-I677 PolarHBondContact O-N 3.28Å; R673-I677 VanDerWaalsContact O-N 3.12Å; I674-I677 PolarHBondContact O-N 3.46Å; I677-L679 PolarHBondContact O-N 3.04Å; I677-S680 PolarHBondContact O-N 3.35Å; I677-M681 WeakPolarHBondContact O-CB 3.32Å; I677-M681 PolarHBondContact O-N 3.47Å |
| 678 | L | 95.2 | Very high | 93.4 | Very high | 86 Ų | 86 | 72.5 Ų | 72.5 | 45% | 0.45 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -61.9 | -43.7 | 179.7 | -71.8 | 172.1 | 0 | 0 | 0 | 112.1 | V665 V669 I674 M681 L682 | V665-L678 HydrophobicContact CG1-CB 4.46Å; V669-L678 HydrophobicContact CG2-CD1 3.87Å; I674-L678 HydrophobicContact CG2-CD1 3.98Å; I674-L678 HydrophobicContact CG2-CG 4.49Å; I674-L678 WeakPolarHBondContact O-CG 3.5Å; I674-L678 PolarHBondContact O-N 3.47Å; L678-M681 PolarHBondContact O-N 3.49Å; L678-L682 WeakPolarHBondContact O-CB 3.35Å; L678-L682 PolarHBondContact O-N 3Å |
| 679 | L | 95.7 | Very high | 93.3 | Very high | 7 Ų | 7 | 67.9 Ų | 67.9 | 4% | 0.037 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -66.1 | -42.9 | 179.2 | -170.2 | 65.8 | 0 | 0 | 0 | 111.8 | L583 I661 T662 V665 G675 I677 M681 L682 F683 | L583-L679 HydrophobicContact CB-CD2 4.45Å; I661-L679 HydrophobicContact CG2-CD1 4.32Å; T662-L679 HydrophobicContact CG2-CD2 3.8Å; V665-L679 HydrophobicContact CB-CD1 4.49Å; V665-L679 HydrophobicContact CG1-CB 4.49Å; V665-L679 HydrophobicContact CG2-CD1 4.06Å; G675-L679 VanDerWaalsContact O-CB 3.28Å; G675-L679 WeakPolarHBondContact O-CB 3.34Å; G675-L679 PolarHBondContact O-N 3.44Å; I677-L679 PolarHBondContact O-N 3.04Å; L679-M681 PolarHBondContact O-N 3.4Å; L679-L682 PolarHBondContact O-N 3.38Å; L679-F683 HydrophobicContact CD1-CD1 4.26Å; L679-F683 HydrophobicContact CD1-CE1 3.61Å; L679-F683 HydrophobicContact CD1-CE2 4.07Å; L679-F683 HydrophobicContact CD1-CZ 3.51Å; L679-F683 HydrophobicContact CD2-CE2 4.01Å; L679-F683 HydrophobicContact CD2-CZ 4.1Å; L679-F683 HydrophobicContact CG-CD2 4.2Å; L679-F683 HydrophobicContact CG-CE1 4.16Å; L679-F683 HydrophobicContact CG-CE2 3.76Å; L679-F683 HydrophobicContact CG-CZ 3.75Å; L679-F683 WeakPolarHBondContact O-CG 3.28Å; L679-F683 PolarHBondContact O-N 3.35Å |
| 680 | S | 94.8 | Very high | 93.3 | Very high | 60 Ų | 60 | 67 Ų | 67 | 42% | 0.42 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -61.8 | -43.7 | 176.4 | -59.3 | 0 | 0 | 0 | 0 | 111.7 | S676 I677 L682 F683 V684 | S676-S680 VanDerWaalsContact O-CB 3.29Å; S676-S680 WeakPolarHBondContact O-CB 3.44Å; S676-S680 PolarHBondContact O-N 3.47Å; S676-S680 PolarHBondContact O-OG 3.37Å; I677-S680 PolarHBondContact O-N 3.35Å; S680-L682 VanDerWaalsContact C-N 3.34Å; S680-L682 PolarHBondContact O-N 3.05Å; S680-F683 PolarHBondContact O-N 3.3Å; S680-V684 WeakPolarHBondContact O-CB 3.34Å; S680-V684 VanDerWaalsContact O-CG2 3.29Å; S680-V684 WeakPolarHBondContact O-CG2 3.45Å; S680-V684 PolarHBondContact O-N 3.24Å |
| 681 | M | 93.6 | Very high | 93.1 | Very high | 141 Ų | 141 | 61 Ų | 61 | 70% | 0.695 | 31% | 0.306 | S | S | * | . | H | α-helix | trans | -60.4 | -44.4 | 176 | -175.6 | -177.8 | 178.5 | 0 | 0 | 111.5 | I677 L678 L679 V684 L685 | I677-M681 WeakPolarHBondContact O-CB 3.32Å; I677-M681 PolarHBondContact O-N 3.47Å; L678-M681 PolarHBondContact O-N 3.49Å; L679-M681 PolarHBondContact O-N 3.4Å; M681-V684 PolarHBondContact O-N 3.49Å; M681-L685 PolarHBondContact O-N 2.87Å |
| 682 | L | 94 | Very high | 93 | Very high | 51 Ų | 51 | 61.2 Ų | 61.2 | 27% | 0.267 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -62.6 | -43.7 | 177.4 | -175.4 | 66.4 | 0 | 0 | 0 | 111.7 | I661 L678 L679 S680 L685 M686 | I661-L682 HydrophobicContact CG2-CD2 3.4Å; L678-L682 WeakPolarHBondContact O-CB 3.35Å; L678-L682 PolarHBondContact O-N 3Å; L679-L682 PolarHBondContact O-N 3.38Å; S680-L682 VanDerWaalsContact C-N 3.34Å; S680-L682 PolarHBondContact O-N 3.05Å; L682-L685 PolarHBondContact O-N 2.95Å; L682-M686 HydrophobicContact CD1-CE 3.95Å; L682-M686 HydrophobicContact CD2-CE 4.19Å; L682-M686 HydrophobicContact CG-CE 3.86Å; L682-M686 WeakPolarHBondContact O-CG 3.48Å; L682-M686 PolarHBondContact O-N 3.42Å |
| 683 | F | 94.5 | Very high | 92.9 | Very high | 4 Ų | 4 | 58.9 Ų | 58.9 | 2% | 0.018 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -68.1 | -39.1 | 179.5 | -71.1 | -7 | 0 | 0 | 0 | 112.8 | L576 F577 I661 L679 S680 L685 M686 M687 | L576-F683 HydrophobicContact CD1-CD1 3.66Å; L576-F683 HydrophobicContact CD1-CE1 3.52Å; L576-F683 HydrophobicContact CD1-CE2 4.46Å; L576-F683 HydrophobicContact CD1-CG 4.2Å; L576-F683 HydrophobicContact CD1-CZ 3.95Å; L576-F683 HydrophobicContact CD2-CB 3.8Å; L576-F683 HydrophobicContact CD2-CD1 3.89Å; L576-F683 HydrophobicContact CD2-CD2 4.46Å; L576-F683 HydrophobicContact CD2-CG 3.82Å; L576-F683 HydrophobicContact CG-CB 4.23Å; L576-F683 HydrophobicContact CG-CD1 3.72Å; L576-F683 HydrophobicContact CG-CD2 3.96Å; L576-F683 HydrophobicContact CG-CE1 3.95Å; L576-F683 HydrophobicContact CG-CE2 4.18Å; L576-F683 HydrophobicContact CG-CG 3.72Å; L576-F683 HydrophobicContact CG-CZ 4.17Å; L576-F683 WeakPolarHBondContact O-CE2 3.39Å; F577-F683 HydrophobicContact CD1-CD2 4.13Å; F577-F683 HydrophobicContact CE1-CB 4.16Å; F577-F683 HydrophobicContact CE1-CD2 4.31Å; F577-F683 HydrophobicContact CZ-CB 4.16Å; I661-F683 HydrophobicContact CG2-CE1 4.28Å; L679-F683 HydrophobicContact CD1-CD1 4.26Å; L679-F683 HydrophobicContact CD1-CE1 3.61Å; L679-F683 HydrophobicContact CD1-CE2 4.07Å; L679-F683 HydrophobicContact CD1-CZ 3.51Å; L679-F683 HydrophobicContact CD2-CE2 4.01Å; L679-F683 HydrophobicContact CD2-CZ 4.1Å; L679-F683 HydrophobicContact CG-CD2 4.2Å; L679-F683 HydrophobicContact CG-CE1 4.16Å; L679-F683 HydrophobicContact CG-CE2 3.76Å; L679-F683 HydrophobicContact CG-CZ 3.75Å; L679-F683 WeakPolarHBondContact O-CG 3.28Å; L679-F683 PolarHBondContact O-N 3.35Å; S680-F683 PolarHBondContact O-N 3.3Å; F683-L685 VanDerWaalsContact C-N 3.32Å; F683-L685 PolarHBondContact O-N 3.19Å; F683-M686 PolarHBondContact O-N 2.59Å; F683-M687 WeakPolarHBondContact O-CB 3.34Å; F683-M687 PolarHBondContact O-N 3.49Å |
| 684 | V | 92.9 | Very high | 92.6 | Very high | 62 Ų | 62 | 52.2 Ų | 52.2 | 38% | 0.376 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -62.6 | -40.4 | 173.7 | 170.2 | 0 | 0 | 0 | 0 | 111 | S680 M681 M686 M687 I688 | S680-V684 WeakPolarHBondContact O-CB 3.34Å; S680-V684 VanDerWaalsContact O-CG2 3.29Å; S680-V684 WeakPolarHBondContact O-CG2 3.45Å; S680-V684 PolarHBondContact O-N 3.24Å; M681-V684 PolarHBondContact O-N 3.49Å; V684-M686 PolarHBondContact O-N 3.49Å; V684-M687 HydrophobicContact CG1-CE 4.38Å; V684-M687 WeakPolarHBondContact O-CB 3.35Å; V684-M687 PolarHBondContact O-N 2.98Å; V684-I688 HydrophobicContact CG1-CD1 4.03Å; V684-I688 WeakPolarHBondContact O-CG1 3.27Å; V684-I688 PolarHBondContact O-N 3.2Å |
| 685 | L | 90.8 | Very high | 92.1 | Very high | 73 Ų | 73 | 50.6 Ų | 50.6 | 38% | 0.382 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -63.6 | -41.3 | 176.4 | -174.8 | 64 | 0 | 0 | 0 | 112.1 | M681 L682 F683 M687 T689 V706 | M681-L685 PolarHBondContact O-N 2.87Å; L682-L685 PolarHBondContact O-N 2.95Å; F683-L685 VanDerWaalsContact C-N 3.32Å; F683-L685 PolarHBondContact O-N 3.19Å; L685-M687 VanDerWaalsContact C-N 3.32Å; L685-T689 PolarHBondContact O-N 3.35Å; L685-T689 PolarHBondContact O-OG1 3.47Å; L685-V706 HydrophobicContact CD1-CG1 4.09Å; L685-V706 HydrophobicContact CD2-CG1 3.78Å; L685-V706 HydrophobicContact CG-CG1 3.75Å |
| 686 | M | 93.1 | Very high | 91.5 | Very high | 6 Ų | 6 | 51 Ų | 51 | 3% | 0.03 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -64.8 | -36.5 | 174.5 | -68.2 | -179.8 | 179.1 | 0 | 0 | 112.1 | L576 I661 L682 F683 V684 T689 S690 I709 S710 I711 L712 | L576-M686 HydrophobicContact CD2-CB 4.35Å; I661-M686 HydrophobicContact CD1-CE 3.97Å; I661-M686 HydrophobicContact CD1-SD 4.48Å; L682-M686 HydrophobicContact CD1-CE 3.95Å; L682-M686 HydrophobicContact CD2-CE 4.19Å; L682-M686 HydrophobicContact CG-CE 3.86Å; L682-M686 WeakPolarHBondContact O-CG 3.48Å; L682-M686 PolarHBondContact O-N 3.42Å; F683-M686 PolarHBondContact O-N 2.59Å; V684-M686 PolarHBondContact O-N 3.49Å; M686-T689 PolarHBondContact O-N 3.03Å; M686-T689 PolarHBondContact O-OG1 2.86Å; M686-S690 PolarHBondContact O-N 3.47Å; M686-S690 VanDerWaalsContact O-N 3.16Å; M686-I709 HydrophobicContact CE-CG2 4.22Å; M686-S710 PolarHBondContact O-OG 3.31Å; M686-I711 HydrophobicContact SD-CG1 3.98Å; M686-L712 HydrophobicContact CB-CD1 4.3Å |
| 687 | M | 93.2 | Very high | 90.9 | Very high | 45 Ų | 45 | 52.6 Ų | 52.6 | 22% | 0.222 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -63 | -47.8 | 177.1 | -179.5 | -174.1 | 73.1 | 0 | 0 | 111.8 | F569 L573 F683 V684 L685 T689 S690 L693 L712 | F569-M687 HydrophobicContact CE2-CG 4.1Å; F569-M687 HydrophobicContact CZ-CG 3.68Å; F569-M687 HydrophobicContact CZ-SD 4.42Å; L573-M687 HydrophobicContact CD1-CB 3.96Å; L573-M687 HydrophobicContact CD1-CG 3.69Å; L573-M687 HydrophobicContact CD1-SD 3.89Å; L573-M687 HydrophobicContact CD2-CG 4.49Å; L573-M687 HydrophobicContact CD2-SD 4.03Å; F683-M687 WeakPolarHBondContact O-CB 3.34Å; F683-M687 PolarHBondContact O-N 3.49Å; V684-M687 HydrophobicContact CG1-CE 4.38Å; V684-M687 WeakPolarHBondContact O-CB 3.35Å; V684-M687 PolarHBondContact O-N 2.98Å; L685-M687 VanDerWaalsContact C-N 3.32Å; M687-T689 VanDerWaalsContact C-N 3.32Å; M687-T689 PolarHBondContact O-N 3.1Å; M687-S690 VanDerWaalsContact O-CB 3.26Å; M687-S690 WeakPolarHBondContact O-CB 3.24Å; M687-S690 PolarHBondContact O-N 3.27Å; M687-S690 PolarHBondContact O-OG 3.16Å; M687-L693 HydrophobicContact CE-CD1 4.38Å; M687-L693 HydrophobicContact CG-CD1 4.01Å; M687-L712 HydrophobicContact CB-CD1 4.32Å |
| 688 | I | 91.3 | Very high | 90.5 | Very high | 65 Ų | 65 | 51.6 Ų | 51.6 | 33% | 0.333 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -63.5 | -40.4 | 179.8 | -65.5 | 165.8 | 0 | 0 | 0 | 110.9 | V684 S690 | V684-I688 HydrophobicContact CG1-CD1 4.03Å; V684-I688 WeakPolarHBondContact O-CG1 3.27Å; V684-I688 PolarHBondContact O-N 3.2Å; I688-S690 VanDerWaalsContact C-N 3.29Å; I688-S690 PolarHBondContact O-N 3.5Å |
| 689 | T | 90.1 | Very high | 89.9 | Confident | 2 Ų | 2 | 49 Ų | 49 | 1% | 0.012 | 27% | 0.272 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -88.1 | 10.3 | -176.9 | 56 | 0 | 0 | 0 | 0 | 114.1 | L685 M686 M687 G691 V706 S710 | L685-T689 PolarHBondContact O-N 3.35Å; L685-T689 PolarHBondContact O-OG1 3.47Å; M686-T689 PolarHBondContact O-N 3.03Å; M686-T689 PolarHBondContact O-OG1 2.86Å; M687-T689 VanDerWaalsContact C-N 3.32Å; M687-T689 PolarHBondContact O-N 3.1Å; T689-G691 VanDerWaalsContact C-N 3.27Å; T689-G691 PolarHBondContact O-N 3.11Å; T689-V706 HydrophobicContact CG2-CB 4.1Å; T689-V706 HydrophobicContact CG2-CG1 3.94Å; T689-S710 WeakPolarHBondContact OG1-CB 3.19Å |
| 690 | S | 91.9 | Very high | 89.5 | Confident | 0 Ų | 0 | 58 Ų | 58 | 0% | 0 | 31% | 0.306 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -64.7 | -28 | 179 | 62 | 0 | 0 | 0 | 0 | 113.7 | F569 M686 M687 I688 Y692 R713 | F569-S690 WeakPolarHBondContact CE2-OG 3.24Å; M686-S690 PolarHBondContact O-N 3.47Å; M686-S690 VanDerWaalsContact O-N 3.16Å; M687-S690 VanDerWaalsContact O-CB 3.26Å; M687-S690 WeakPolarHBondContact O-CB 3.24Å; M687-S690 PolarHBondContact O-N 3.27Å; M687-S690 PolarHBondContact O-OG 3.16Å; I688-S690 VanDerWaalsContact C-N 3.29Å; I688-S690 PolarHBondContact O-N 3.5Å; S690-Y692 PolarHBondContact OG-N 2.98Å; S690-R713 WeakPolarHBondContact O-CA 3.46Å; S690-R713 WeakPolarHBondContact O-CB 3.33Å |
| 691 | G | 85.9 | Confident | 89.1 | Confident | 10 Ų | 10 | 63.8 Ų | 63.8 | 10% | 0.103 | 32% | 0.323 | C | S | . | . | S | Bend | trans | 95.2 | -6.3 | -176.3 | 0 | 0 | 0 | 0 | 0 | 114.7 | T689 | T689-G691 VanDerWaalsContact C-N 3.27Å; T689-G691 PolarHBondContact O-N 3.11Å |
| 692 | Y | 90.2 | Very high | 88.6 | Confident | 77 Ų | 77 | 64.7 Ų | 64.7 | 30% | 0.302 | 32% | 0.319 | S | S | . | . | S | Bend | trans | -84.1 | -46.9 | 174.5 | 176.2 | -107.7 | 0 | 0 | 0 | 112.5 | M565 F569 S690 | M565-Y692 HydrophobicContact CB-CD2 4.05Å; M565-Y692 HydrophobicContact CB-CE2 3.82Å; F569-Y692 HydrophobicContact CB-CD1 3.76Å; F569-Y692 HydrophobicContact CB-CD2 4.38Å; F569-Y692 HydrophobicContact CB-CE1 4.19Å; F569-Y692 HydrophobicContact CB-CG 3.87Å; F569-Y692 AromaticContact CD1-CD1 3.54Å; F569-Y692 HydrophobicContact CD1-CD1 3.54Å; F569-Y692 AromaticContact CD1-CE1 3.77Å; F569-Y692 HydrophobicContact CD1-CE1 3.77Å; F569-Y692 HydrophobicContact CD1-CG 4.45Å; F569-Y692 AromaticContact CD2-CD1 3.68Å; F569-Y692 HydrophobicContact CD2-CD1 3.68Å; F569-Y692 AromaticContact CD2-CG 3.96Å; F569-Y692 HydrophobicContact CD2-CG 3.96Å; F569-Y692 AromaticContact CE1-CD1 3.99Å; F569-Y692 HydrophobicContact CE1-CD1 3.99Å; F569-Y692 HydrophobicContact CE1-CE1 4.31Å; F569-Y692 HydrophobicContact CE2-CD1 4.13Å; F569-Y692 AromaticContact CG-CD1 3.35Å; F569-Y692 HydrophobicContact CG-CD1 3.35Å; F569-Y692 AromaticContact CG-CE1 3.96Å; F569-Y692 HydrophobicContact CG-CE1 3.96Å; F569-Y692 AromaticContact CG-CG 3.84Å; F569-Y692 HydrophobicContact CG-CG 3.84Å; F569-Y692 HydrophobicContact CZ-CD1 4.27Å; S690-Y692 PolarHBondContact OG-N 2.98Å |
| 693 | L | 89.5 | Confident | 88 | Confident | 89 Ų | 89 | 64.2 Ų | 64.2 | 47% | 0.466 | 32% | 0.317 | S | S | . | . | S | Bend | trans | -75.6 | -35.2 | -175.7 | -66.1 | 177.9 | 0 | 0 | 0 | 113.3 | F569 M687 | F569-L693 HydrophobicContact CE1-CD2 4.41Å; F569-L693 HydrophobicContact CE2-CG 4.29Å; F569-L693 HydrophobicContact CZ-CD1 3.99Å; F569-L693 HydrophobicContact CZ-CD2 4.21Å; F569-L693 HydrophobicContact CZ-CG 3.96Å; M687-L693 HydrophobicContact CE-CD1 4.38Å; M687-L693 HydrophobicContact CG-CD1 4.01Å |
| 694 | V | 87.4 | Confident | 87.5 | Confident | 51 Ų | 51 | 66.5 Ų | 66.5 | 31% | 0.309 | 33% | 0.327 | S | S | . | . | S | Bend | trans | -139 | 134.7 | -177 | -177.3 | 0 | 0 | 0 | 0 | 108.5 | I696 L699 | V694-I696 PolarHBondContact O-N 3.35Å; V694-L699 HydrophobicContact CG1-CD2 3.66Å; V694-L699 HydrophobicContact CG1-CG 4.05Å |
| 695 | N | 85.1 | Confident | 87.3 | Confident | 62 Ų | 62 | 68.9 Ų | 68.9 | 33% | 0.332 | 34% | 0.337 | S | S | . | . | trans | -66 | 122.2 | 171.8 | -168.2 | -19.7 | 0 | 0 | 0 | 109.1 | S697 T698 | N695-S697 VanDerWaalsContact CG-OG 3.3Å; N695-S697 PolarHBondContact O-N 3.31Å; N695-S697 PolarHBondContact OD1-N 3.46Å; N695-S697 PolarHBondContact OD1-OG 3.41Å; N695-T698 HydrophobicContact CB-CG2 4.3Å; N695-T698 PolarHBondContact O-N 3.43Å; N695-T698 VanDerWaalsContact O-N 3.1Å; N695-T698 PolarHBondContact O-OG1 3.36Å | ||
| 696 | I | 81.6 | Confident | 87 | Confident | 8 Ų | 8 | 66.6 Ų | 66.6 | 4% | 0.041 | 33% | 0.326 | C | S | . | . | G | 310 helix | trans | -67.2 | -26.7 | -171.3 | -65.9 | 158.3 | 0 | 0 | 0 | 111.7 | V694 T698 L699 Q704 R707 R713 | V694-I696 PolarHBondContact O-N 3.35Å; I696-T698 PolarHBondContact O-N 3.19Å; I696-L699 WeakPolarHBondContact O-CB 3.49Å; I696-L699 PolarHBondContact O-N 3.41Å; I696-Q704 HydrophobicContact CG2-CB 4.43Å; I696-Q704 HydrophobicContact CG2-CG 4.2Å; I696-Q704 WeakPolarHBondContact O-CG 3.33Å; I696-Q704 PolarHBondContact O-NE2 3.44Å; I696-R707 HydrophobicContact CD1-CB 4.41Å; I696-R707 HydrophobicContact CG2-CB 4.31Å; I696-R713 VanDerWaalsContact CD1-CD 3.47Å; I696-R713 VanDerWaalsContact CD1-NE 3.3Å |
| 697 | S | 82.3 | Confident | 86.7 | Confident | 84 Ų | 84 | 69.6 Ų | 69.6 | 59% | 0.587 | 34% | 0.337 | S | S | * | . | G | 310 helix | trans | -62.5 | -26.6 | 176.6 | 61.3 | 0 | 0 | 0 | 0 | 112.8 | N695 Q704 | N695-S697 VanDerWaalsContact CG-OG 3.3Å; N695-S697 PolarHBondContact O-N 3.31Å; N695-S697 PolarHBondContact OD1-N 3.46Å; N695-S697 PolarHBondContact OD1-OG 3.41Å; S697-Q704 PolarHBondContact O-NE2 2.92Å |
| 698 | T | 86.8 | Confident | 86.6 | Confident | 101 Ų | 101 | 73.2 Ų | 73.2 | 62% | 0.62 | 35% | 0.349 | S | S | * | . | G | 310 helix | trans | -86.8 | -9.2 | -179.6 | 66.5 | 0 | 0 | 0 | 0 | 113.1 | N695 I696 | N695-T698 HydrophobicContact CB-CG2 4.3Å; N695-T698 PolarHBondContact O-N 3.43Å; N695-T698 VanDerWaalsContact O-N 3.1Å; N695-T698 PolarHBondContact O-OG1 3.36Å; I696-T698 PolarHBondContact O-N 3.19Å |
| 699 | L | 84.4 | Confident | 86.5 | Confident | 30 Ų | 30 | 74.8 Ų | 74.8 | 16% | 0.157 | 36% | 0.357 | C | S | . | . | S | Bend | trans | -76.2 | 154.8 | 176.9 | -64.4 | 176.8 | 0 | 0 | 0 | 111.3 | V694 I696 L703 Q704 | V694-L699 HydrophobicContact CG1-CD2 3.66Å; V694-L699 HydrophobicContact CG1-CG 4.05Å; I696-L699 WeakPolarHBondContact O-CB 3.49Å; I696-L699 PolarHBondContact O-N 3.41Å; L699-L703 HydrophobicContact CB-CB 4.48Å; L699-L703 HydrophobicContact CB-CD2 4.46Å; L699-L703 HydrophobicContact CD1-CD2 4.26Å; L699-L703 HydrophobicContact CD2-CD2 3.95Å; L699-L703 HydrophobicContact CG-CD2 4.46Å; L699-Q704 HydrophobicContact CB-CG 4.02Å; L699-Q704 PolarHBondContact O-NE2 3.3Å |
| 700 | W | 85.6 | Confident | 86.7 | Confident | 197 Ų | 197 | 74.7 Ų | 74.7 | 75% | 0.746 | 36% | 0.357 | S | S | * | . | trans | -61.1 | 143.4 | 173.8 | -66.8 | -2.2 | 0 | 0 | 0 | 111.5 | W702 L703 Q704 | W700-W702 VanDerWaalsContact C-N 3.26Å; W700-W702 AromaticContact CE3-NE1 3.51Å; W700-W702 PolarHBondContact O-N 3.17Å; W700-L703 WeakPolarHBondContact O-CA 3.31Å; W700-L703 WeakPolarHBondContact O-CB 3.45Å; W700-L703 PolarHBondContact O-N 3.12Å; W700-Q704 PolarHBondContact O-N 3.04Å | ||
| 701 | K | 86.3 | Confident | 86.9 | Confident | 182 Ų | 182 | 74.7 Ų | 74.7 | 79% | 0.791 | 36% | 0.357 | S | S | * | . | H | α-helix | trans | -50.7 | -39 | -171.9 | -67.7 | -176.9 | -179.7 | 177.5 | 0 | 114.2 | Q704 | K701-Q704 WeakPolarHBondContact O-CB 3.25Å; K701-Q704 PolarHBondContact O-N 3.47Å |
| 702 | W | 84.3 | Confident | 87.4 | Confident | 159 Ų | 159 | 74.2 Ų | 74.2 | 60% | 0.602 | 35% | 0.352 | S | S | * | . | H | α-helix | trans | -71.7 | -35.8 | 177.7 | 73.9 | -95.3 | 0 | 0 | 0 | 112.5 | W700 Q704 L705 | W700-W702 VanDerWaalsContact C-N 3.26Å; W700-W702 AromaticContact CE3-NE1 3.51Å; W700-W702 PolarHBondContact O-N 3.17Å; W702-Q704 VanDerWaalsContact C-N 3.29Å; W702-Q704 PolarHBondContact O-N 3.25Å; W702-L705 VanDerWaalsContact O-CB 3.31Å; W702-L705 WeakPolarHBondContact O-CB 3.47Å; W702-L705 PolarHBondContact O-N 3.5Å; W702-L705 VanDerWaalsContact O-N 3.15Å |
| 703 | L | 80.1 | Confident | 87.5 | Confident | 42 Ų | 42 | 71.6 Ų | 71.6 | 22% | 0.22 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -70.9 | -29.8 | 177.1 | -148.6 | 84 | 0 | 0 | 0 | 110.9 | L699 W700 L705 V706 | L699-L703 HydrophobicContact CB-CB 4.48Å; L699-L703 HydrophobicContact CB-CD2 4.46Å; L699-L703 HydrophobicContact CD1-CD2 4.26Å; L699-L703 HydrophobicContact CD2-CD2 3.95Å; L699-L703 HydrophobicContact CG-CD2 4.46Å; W700-L703 WeakPolarHBondContact O-CA 3.31Å; W700-L703 WeakPolarHBondContact O-CB 3.45Å; W700-L703 PolarHBondContact O-N 3.12Å; L703-L705 PolarHBondContact O-N 3.38Å; L703-V706 WeakPolarHBondContact O-CB 3.29Å; L703-V706 PolarHBondContact O-N 3.32Å; L703-V706 VanDerWaalsContact O-N 3.11Å |
| 704 | Q | 84.5 | Confident | 87.8 | Confident | 52 Ų | 52 | 69.1 Ų | 69.1 | 24% | 0.243 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -60.5 | -27.3 | 171.1 | -63.4 | -179.5 | 5.6 | 0 | 0 | 112.2 | I696 S697 L699 W700 K701 W702 V706 R707 | I696-Q704 HydrophobicContact CG2-CB 4.43Å; I696-Q704 HydrophobicContact CG2-CG 4.2Å; I696-Q704 WeakPolarHBondContact O-CG 3.33Å; I696-Q704 PolarHBondContact O-NE2 3.44Å; S697-Q704 PolarHBondContact O-NE2 2.92Å; L699-Q704 HydrophobicContact CB-CG 4.02Å; L699-Q704 PolarHBondContact O-NE2 3.3Å; W700-Q704 PolarHBondContact O-N 3.04Å; K701-Q704 WeakPolarHBondContact O-CB 3.25Å; K701-Q704 PolarHBondContact O-N 3.47Å; W702-Q704 VanDerWaalsContact C-N 3.29Å; W702-Q704 PolarHBondContact O-N 3.25Å; Q704-V706 VanDerWaalsContact C-N 3.28Å; Q704-V706 PolarHBondContact O-N 2.9Å; Q704-R707 WeakPolarHBondContact O-CB 3.45Å; Q704-R707 WeakPolarHBondContact O-CD 3.49Å; Q704-R707 WeakPolarHBondContact O-CG 3.27Å; Q704-R707 PolarHBondContact O-N 2.95Å |
| 705 | L | 88.1 | Confident | 88.2 | Confident | 112 Ų | 112 | 66.7 Ų | 66.7 | 59% | 0.586 | 31% | 0.311 | S | S | * | . | H | α-helix | trans | -67 | -31.4 | 176.1 | -62.4 | 172.4 | 0 | 0 | 0 | 112.1 | W702 L703 R707 Y708 | W702-L705 VanDerWaalsContact O-CB 3.31Å; W702-L705 WeakPolarHBondContact O-CB 3.47Å; W702-L705 PolarHBondContact O-N 3.5Å; W702-L705 VanDerWaalsContact O-N 3.15Å; L703-L705 PolarHBondContact O-N 3.38Å; L705-R707 PolarHBondContact O-N 3.43Å; L705-Y708 HydrophobicContact CD2-CE2 4.5Å; L705-Y708 WeakPolarHBondContact O-CD2 3.38Å; L705-Y708 PolarHBondContact O-N 3.06Å; L705-Y708 VanDerWaalsContact O-N 3.14Å |
| 706 | V | 85.5 | Confident | 88.7 | Confident | 24 Ų | 24 | 63.9 Ų | 63.9 | 15% | 0.145 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -62.9 | -24 | 178.2 | -175.2 | 0 | 0 | 0 | 0 | 111.3 | L685 T689 L703 Q704 Y708 I709 S710 | L685-V706 HydrophobicContact CD1-CG1 4.09Å; L685-V706 HydrophobicContact CD2-CG1 3.78Å; L685-V706 HydrophobicContact CG-CG1 3.75Å; T689-V706 HydrophobicContact CG2-CB 4.1Å; T689-V706 HydrophobicContact CG2-CG1 3.94Å; L703-V706 WeakPolarHBondContact O-CB 3.29Å; L703-V706 PolarHBondContact O-N 3.32Å; L703-V706 VanDerWaalsContact O-N 3.11Å; Q704-V706 VanDerWaalsContact C-N 3.28Å; Q704-V706 PolarHBondContact O-N 2.9Å; V706-Y708 PolarHBondContact O-N 2.93Å; V706-Y708 VanDerWaalsContact O-N 3.11Å; V706-I709 PolarHBondContact O-N 3.48Å; V706-S710 PolarHBondContact O-N 3.28Å |
| 707 | R | 87.8 | Confident | 89.2 | Confident | 69 Ų | 69 | 64 Ų | 64 | 26% | 0.26 | 30% | 0.297 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -54.2 | -32.7 | 175.1 | 90.2 | -169.8 | 173.7 | 153.4 | -3.4 | 112.7 | I696 Q704 L705 I709 S710 | I696-R707 HydrophobicContact CD1-CB 4.41Å; I696-R707 HydrophobicContact CG2-CB 4.31Å; Q704-R707 WeakPolarHBondContact O-CB 3.45Å; Q704-R707 WeakPolarHBondContact O-CD 3.49Å; Q704-R707 WeakPolarHBondContact O-CG 3.27Å; Q704-R707 PolarHBondContact O-N 2.95Å; L705-R707 PolarHBondContact O-N 3.43Å; R707-I709 VanDerWaalsContact C-N 3.27Å; R707-I709 PolarHBondContact O-N 3.22Å; R707-S710 PolarHBondContact O-N 2.92Å |
| 708 | Y | 90.1 | Very high | 89.8 | Confident | 121 Ų | 121 | 60 Ų | 60 | 48% | 0.475 | 27% | 0.269 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -77.1 | -15.5 | -177.4 | -64.7 | -68.3 | 0 | 0 | 0 | 113.2 | L705 V706 Y714 | L705-Y708 HydrophobicContact CD2-CE2 4.5Å; L705-Y708 WeakPolarHBondContact O-CD2 3.38Å; L705-Y708 PolarHBondContact O-N 3.06Å; L705-Y708 VanDerWaalsContact O-N 3.14Å; V706-Y708 PolarHBondContact O-N 2.93Å; V706-Y708 VanDerWaalsContact O-N 3.11Å; Y708-Y714 WeakPolarHBondContact CA-OH 3.46Å; Y708-Y714 VanDerWaalsContact O-CE2 3.3Å; Y708-Y714 WeakPolarHBondContact O-CE2 3.48Å; Y708-Y714 PolarHBondContact O-OH 3.13Å |
| 709 | I | 90.1 | Very high | 90.2 | Very high | 98 Ų | 98 | 55.3 Ų | 55.3 | 50% | 0.503 | 24% | 0.24 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -91.2 | -19.6 | 176.4 | -60.1 | 172.3 | 0 | 0 | 0 | 110.4 | M686 V706 R707 I711 | M686-I709 HydrophobicContact CE-CG2 4.22Å; V706-I709 PolarHBondContact O-N 3.48Å; R707-I709 VanDerWaalsContact C-N 3.27Å; R707-I709 PolarHBondContact O-N 3.22Å; I709-I711 PolarHBondContact O-N 2.92Å |
| 710 | S | 94.1 | Very high | 90.7 | Very high | 0 Ų | 0 | 53.9 Ų | 53.9 | 0% | 0 | 23% | 0.233 | C | C | . | . | trans | -76 | 104.8 | -177 | -175.6 | 0 | 0 | 0 | 0 | 112.5 | M686 T689 V706 R707 L712 R713 Y714 | M686-S710 PolarHBondContact O-OG 3.31Å; T689-S710 WeakPolarHBondContact OG1-CB 3.19Å; V706-S710 PolarHBondContact O-N 3.28Å; R707-S710 PolarHBondContact O-N 2.92Å; S710-L712 PolarHBondContact O-N 3.34Å; S710-R713 PolarHBondContact O-N 3.47Å; S710-R713 VanDerWaalsContact O-N 3.16Å; S710-R713 PolarHBondContact OG-N 3.05Å; S710-Y714 WeakPolarHBondContact O-CD2 3.38Å | ||
| 711 | I | 95.7 | Very high | 91 | Very high | 0 Ų | 0 | 44.9 Ų | 44.9 | 0% | 0 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -62 | -28 | 172.7 | 59.1 | 171.7 | 0 | 0 | 0 | 112.7 | L576 L654 A658 I661 M686 I709 R713 A715 I816 | L576-I711 HydrophobicContact CD1-CD1 3.76Å; L576-I711 HydrophobicContact CD1-CG1 4.28Å; L654-I711 HydrophobicContact CD1-CB 4.07Å; L654-I711 HydrophobicContact CD1-CD1 3.88Å; L654-I711 HydrophobicContact CD1-CG1 3.93Å; A658-I711 HydrophobicContact CB-CD1 4.04Å; I661-I711 HydrophobicContact CD1-CD1 3.75Å; I661-I711 HydrophobicContact CD1-CG1 4.44Å; I661-I711 HydrophobicContact CD1-CG2 4.32Å; M686-I711 HydrophobicContact SD-CG1 3.98Å; I709-I711 PolarHBondContact O-N 2.92Å; I711-R713 VanDerWaalsContact C-N 3.34Å; I711-A715 PolarHBondContact O-N 3.06Å; I711-I816 HydrophobicContact CG2-CB 4.1Å; I711-I816 HydrophobicContact CG2-CD1 3.84Å; I711-I816 HydrophobicContact CG2-CG2 3.7Å |
| 712 | L | 95.1 | Very high | 91.3 | Very high | 0 Ų | 0 | 36.8 Ų | 36.8 | 0% | 0 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -63.9 | -39.7 | 175.3 | -75.1 | 175.6 | 0 | 0 | 0 | 111.7 | C572 L573 L576 M686 M687 S710 A715 I716 | C572-L712 VanDerWaalsContact C-CD2 3.45Å; C572-L712 HydrophobicContact CB-CD2 3.58Å; C572-L712 WeakPolarHBondContact O-CD2 3.36Å; L573-L712 HydrophobicContact CD1-CD1 4.01Å; L576-L712 HydrophobicContact CB-CD2 4.33Å; L576-L712 HydrophobicContact CD2-CD1 3.6Å; L576-L712 HydrophobicContact CD2-CD2 4.4Å; L576-L712 HydrophobicContact CD2-CG 3.96Å; M686-L712 HydrophobicContact CB-CD1 4.3Å; M687-L712 HydrophobicContact CB-CD1 4.32Å; S710-L712 PolarHBondContact O-N 3.34Å; L712-A715 PolarHBondContact O-N 3.46Å; L712-I716 WeakPolarHBondContact O-CB 3.39Å; L712-I716 WeakPolarHBondContact O-CD1 3.38Å; L712-I716 VanDerWaalsContact O-CG1 3.29Å; L712-I716 WeakPolarHBondContact O-CG1 3.35Å; L712-I716 PolarHBondContact O-N 3.42Å |
| 713 | R | 93.6 | Very high | 91.7 | Very high | 22 Ų | 22 | 29.5 Ų | 29.5 | 8% | 0.083 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -62.3 | -48.9 | -179.9 | 175.6 | 161 | 174.3 | 68.8 | -2.7 | 111.6 | S690 I696 S710 I711 A715 I716 N717 | S690-R713 WeakPolarHBondContact O-CA 3.46Å; S690-R713 WeakPolarHBondContact O-CB 3.33Å; I696-R713 VanDerWaalsContact CD1-CD 3.47Å; I696-R713 VanDerWaalsContact CD1-NE 3.3Å; S710-R713 PolarHBondContact O-N 3.47Å; S710-R713 VanDerWaalsContact O-N 3.16Å; S710-R713 PolarHBondContact OG-N 3.05Å; I711-R713 VanDerWaalsContact C-N 3.34Å; R713-A715 VanDerWaalsContact C-N 3.33Å; R713-A715 PolarHBondContact O-N 2.82Å; R713-I716 PolarHBondContact O-N 3.16Å; R713-N717 PolarHBondContact NH1-OD1 3.39Å; R713-N717 WeakPolarHBondContact O-CB 3.39Å; R713-N717 PolarHBondContact O-N 3.32Å; R713-N717 PolarHBondContact O-OD1 3.48Å |
| 714 | Y | 95.2 | Very high | 92.2 | Very high | 38 Ų | 38 | 27.5 Ų | 27.5 | 15% | 0.149 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -59.7 | -46.3 | 178.7 | -63.7 | -73.8 | 0 | 0 | 0 | 111 | Y708 S710 N717 I718 N809 I813 I816 | Y708-Y714 WeakPolarHBondContact CA-OH 3.46Å; Y708-Y714 VanDerWaalsContact O-CE2 3.3Å; Y708-Y714 WeakPolarHBondContact O-CE2 3.48Å; Y708-Y714 PolarHBondContact O-OH 3.13Å; S710-Y714 WeakPolarHBondContact O-CD2 3.38Å; Y714-N717 PolarHBondContact O-N 3.42Å; Y714-I718 VanDerWaalsContact O-CD1 3.31Å; Y714-I718 WeakPolarHBondContact O-CD1 3.27Å; Y714-I718 VanDerWaalsContact O-CG1 3.24Å; Y714-I718 WeakPolarHBondContact O-CG1 3.24Å; Y714-I718 PolarHBondContact O-N 2.69Å; Y714-N809 HydrophobicContact CD1-CB 4.14Å; Y714-N809 WeakPolarHBondContact CD1-OD1 2.94Å; Y714-I813 VanDerWaalsContact CB-CG1 3.5Å; Y714-I813 HydrophobicContact CD2-CG1 4.5Å; Y714-I813 HydrophobicContact CG-CG1 4.27Å; Y714-I816 HydrophobicContact CD2-CD1 4.27Å; Y714-I816 HydrophobicContact CE2-CD1 3.76Å |
| 715 | A | 96.2 | Very high | 92.3 | Very high | 0 Ų | 0 | 29 Ų | 29 | 0% | 0 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -61.4 | -47.6 | 179 | 0 | 0 | 0 | 0 | 0 | 112.1 | T650 L654 I711 L712 R713 N717 I718 L719 I813 | T650-A715 HydrophobicContact CG2-CB 4.02Å; L654-A715 HydrophobicContact CD1-CB 4.07Å; L654-A715 HydrophobicContact CD2-CB 4.02Å; L654-A715 HydrophobicContact CG-CB 4.44Å; I711-A715 PolarHBondContact O-N 3.06Å; L712-A715 PolarHBondContact O-N 3.46Å; R713-A715 VanDerWaalsContact C-N 3.33Å; R713-A715 PolarHBondContact O-N 2.82Å; A715-N717 VanDerWaalsContact C-N 3.35Å; A715-N717 PolarHBondContact O-N 3.33Å; A715-I718 WeakPolarHBondContact O-CB 2.89Å; A715-I718 PolarHBondContact O-N 2.79Å; A715-L719 WeakPolarHBondContact O-CG 3.45Å; A715-L719 PolarHBondContact O-N 2.58Å; A715-I813 HydrophobicContact CB-CD1 4.08Å |
| 716 | I | 94.7 | Very high | 92.1 | Very high | 3 Ų | 3 | 28.2 Ų | 28.2 | 2% | 0.015 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -63.3 | -41.9 | 178.8 | -68.5 | 162.9 | 0 | 0 | 0 | 110.8 | M565 F569 C572 L712 R713 I718 L719 T720 | M565-I716 HydrophobicContact CE-CG2 3.92Å; F569-I716 HydrophobicContact CB-CD1 4.31Å; F569-I716 HydrophobicContact CD2-CD1 3.78Å; C572-I716 HydrophobicContact CB-CG1 4.41Å; L712-I716 WeakPolarHBondContact O-CB 3.39Å; L712-I716 WeakPolarHBondContact O-CD1 3.38Å; L712-I716 VanDerWaalsContact O-CG1 3.29Å; L712-I716 WeakPolarHBondContact O-CG1 3.35Å; L712-I716 PolarHBondContact O-N 3.42Å; R713-I716 PolarHBondContact O-N 3.16Å; I716-I718 VanDerWaalsContact C-N 3.31Å; I716-I718 PolarHBondContact O-N 3.17Å; I716-L719 PolarHBondContact O-N 3.23Å; I716-T720 VanDerWaalsContact O-CB 3.24Å; I716-T720 WeakPolarHBondContact O-CB 3.2Å; I716-T720 PolarHBondContact O-N 2.84Å; I716-T720 PolarHBondContact O-OG1 3.05Å |
| 717 | N | 93.5 | Very high | 92.1 | Very high | 11 Ų | 11 | 28 Ų | 28 | 6% | 0.059 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -57.9 | -44.8 | 175.7 | -71.7 | -10.1 | 0 | 0 | 0 | 111.5 | R713 Y714 A715 T720 I721 I798 N809 | R713-N717 PolarHBondContact NH1-OD1 3.39Å; R713-N717 WeakPolarHBondContact O-CB 3.39Å; R713-N717 PolarHBondContact O-N 3.32Å; R713-N717 PolarHBondContact O-OD1 3.48Å; Y714-N717 PolarHBondContact O-N 3.42Å; A715-N717 VanDerWaalsContact C-N 3.35Å; A715-N717 PolarHBondContact O-N 3.33Å; N717-T720 PolarHBondContact O-N 2.92Å; N717-I721 WeakPolarHBondContact O-CD1 3.4Å; N717-I721 WeakPolarHBondContact O-CG1 3.4Å; N717-I721 PolarHBondContact O-N 3.22Å; N717-I798 HydrophobicContact CB-CG2 4.35Å; N717-I798 WeakPolarHBondContact OD1-CD1 3.2Å; N717-N809 PolarHBondContact ND2-OD1 3.02Å |
| 718 | I | 95 | Very high | 92 | Very high | 0 Ų | 0 | 28.7 Ų | 28.7 | 0% | 0 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -59.8 | -52.9 | 178.3 | -67.1 | 155.6 | 0 | 0 | 0 | 110.9 | L646 T650 Y714 A715 I716 T720 I721 N722 I806 N809 E810 I813 | L646-I718 HydrophobicContact CD2-CG2 3.5Å; L646-I718 HydrophobicContact CG-CG2 4.46Å; T650-I718 HydrophobicContact CG2-CB 4.17Å; T650-I718 HydrophobicContact CG2-CD1 3.96Å; T650-I718 HydrophobicContact CG2-CG2 4.1Å; T650-I718 VanDerWaalsContact OG1-CG2 3.24Å; T650-I718 WeakPolarHBondContact OG1-CG2 3.49Å; Y714-I718 VanDerWaalsContact O-CD1 3.31Å; Y714-I718 WeakPolarHBondContact O-CD1 3.27Å; Y714-I718 VanDerWaalsContact O-CG1 3.24Å; Y714-I718 WeakPolarHBondContact O-CG1 3.24Å; Y714-I718 PolarHBondContact O-N 2.69Å; A715-I718 WeakPolarHBondContact O-CB 2.89Å; A715-I718 PolarHBondContact O-N 2.79Å; I716-I718 VanDerWaalsContact C-N 3.31Å; I716-I718 PolarHBondContact O-N 3.17Å; I718-T720 VanDerWaalsContact C-N 3.26Å; I718-T720 PolarHBondContact O-N 3.2Å; I718-I721 PolarHBondContact O-N 3.33Å; I718-N722 VanDerWaalsContact O-CB 3.27Å; I718-N722 WeakPolarHBondContact O-CB 3.14Å; I718-N722 PolarHBondContact O-N 3.03Å; I718-I806 HydrophobicContact CG2-CG2 3.91Å; I718-N809 HydrophobicContact CD1-CB 3.66Å; I718-N809 HydrophobicContact CG1-CB 3.41Å; I718-N809 VanDerWaalsContact CG1-CB 3.41Å; I718-E810 HydrophobicContact CD1-CB 4.44Å; I718-E810 HydrophobicContact CD1-CG 3.7Å; I718-E810 HydrophobicContact CG1-CG 4.38Å; I718-I813 HydrophobicContact CD1-CD1 3.94Å |
| 719 | L | 94.7 | Very high | 91.8 | Very high | 1 Ų | 1 | 23 Ų | 23 | 1% | 0.005 | 12% | 0.116 | C | C | . | . | H | α-helix | trans | -62.3 | -37.4 | -178.4 | -62.8 | -178.1 | 0 | 0 | 0 | 111.7 | F568 W647 T650 A715 I716 E723 | F568-L719 HydrophobicContact CB-CB 4.34Å; F568-L719 HydrophobicContact CB-CD1 4.13Å; F568-L719 HydrophobicContact CD1-CB 4.14Å; F568-L719 HydrophobicContact CD1-CD1 4.16Å; F568-L719 HydrophobicContact CD2-CB 3.81Å; F568-L719 HydrophobicContact CE1-CB 4.38Å; F568-L719 HydrophobicContact CE2-CB 4.08Å; F568-L719 WeakPolarHBondContact CE2-O 3.37Å; F568-L719 HydrophobicContact CG-CB 3.84Å; F568-L719 HydrophobicContact CG-CD1 4.19Å; F568-L719 HydrophobicContact CZ-CB 4.34Å; W647-L719 HydrophobicContact CD2-CD2 4.36Å; W647-L719 HydrophobicContact CE3-CD1 4.14Å; W647-L719 HydrophobicContact CE3-CD2 3.55Å; W647-L719 HydrophobicContact CE3-CG 4.39Å; W647-L719 HydrophobicContact CZ3-CD1 3.76Å; W647-L719 HydrophobicContact CZ3-CD2 4.05Å; W647-L719 HydrophobicContact CZ3-CG 4.42Å; T650-L719 HydrophobicContact CG2-CD2 4.21Å; T650-L719 HydrophobicContact CG2-CG 4.36Å; A715-L719 WeakPolarHBondContact O-CG 3.45Å; A715-L719 PolarHBondContact O-N 2.58Å; I716-L719 PolarHBondContact O-N 3.23Å; L719-E723 WeakPolarHBondContact O-CB 3.35Å; L719-E723 PolarHBondContact O-N 3.38Å |
| 720 | T | 93.7 | Very high | 91.3 | Very high | 0 Ų | 0 | 20 Ų | 20 | 0% | 0 | 10% | 0.103 | C | C | . | . | H | α-helix | trans | -68.5 | -44.8 | 178.6 | -53.3 | 0 | 0 | 0 | 0 | 111.8 | M565 I716 N717 I718 E723 L724 Y792 L793 I798 | M565-T720 HydrophobicContact CE-CG2 4.02Å; M565-T720 WeakPolarHBondContact CE-OG1 3.3Å; M565-T720 HydrophobicContact SD-CG2 3.49Å; M565-T720 WeakPolarHBondContact SD-CG2 3.36Å; M565-T720 PolarHBondContact SD-OG1 2.67Å; M565-T720 VanDerWaalsContact SD-OG1 3.36Å; I716-T720 VanDerWaalsContact O-CB 3.24Å; I716-T720 WeakPolarHBondContact O-CB 3.2Å; I716-T720 PolarHBondContact O-N 2.84Å; I716-T720 PolarHBondContact O-OG1 3.05Å; N717-T720 PolarHBondContact O-N 2.92Å; I718-T720 VanDerWaalsContact C-N 3.26Å; I718-T720 PolarHBondContact O-N 3.2Å; T720-E723 PolarHBondContact O-N 3.32Å; T720-L724 HydrophobicContact CG2-CD1 3.49Å; T720-L724 VanDerWaalsContact CG2-CD1 3.49Å; T720-L724 HydrophobicContact CG2-CG 4.06Å; T720-L724 VanDerWaalsContact O-CB 3.27Å; T720-L724 WeakPolarHBondContact O-CB 3.34Å; T720-L724 WeakPolarHBondContact O-CG 3.43Å; T720-L724 PolarHBondContact O-N 3.4Å; T720-Y792 HydrophobicContact CG2-CD1 4.48Å; T720-Y792 HydrophobicContact CG2-CE1 4.25Å; T720-L793 HydrophobicContact CG2-CD2 3.7Å; T720-I798 HydrophobicContact CG2-CD1 4.38Å |
| 721 | I | 92.8 | Very high | 90.4 | Very high | 8 Ų | 8 | 21.4 Ų | 21.4 | 4% | 0.041 | 11% | 0.113 | C | C | . | . | H | α-helix | trans | -64 | -45.3 | 175.9 | -63.6 | 161.9 | 0 | 0 | 0 | 109.7 | N717 I718 E723 F725 L793 I798 E799 A805 I806 | N717-I721 WeakPolarHBondContact O-CD1 3.4Å; N717-I721 WeakPolarHBondContact O-CG1 3.4Å; N717-I721 PolarHBondContact O-N 3.22Å; I718-I721 PolarHBondContact O-N 3.33Å; I721-E723 VanDerWaalsContact C-N 3.28Å; I721-E723 PolarHBondContact O-N 2.93Å; I721-F725 VanDerWaalsContact O-CB 3.24Å; I721-F725 WeakPolarHBondContact O-CB 3.17Å; I721-F725 PolarHBondContact O-N 3.48Å; I721-L793 HydrophobicContact CG1-CD2 3.96Å; I721-I798 HydrophobicContact CD1-CG2 3.64Å; I721-I798 HydrophobicContact CG1-CG2 3.69Å; I721-E799 WeakPolarHBondContact CD1-O 3.31Å; I721-A805 HydrophobicContact CD1-CB 4.49Å; I721-I806 HydrophobicContact CB-CG1 4.18Å; I721-I806 HydrophobicContact CD1-CG1 4.44Å; I721-I806 HydrophobicContact CG2-CD1 3.89Å; I721-I806 HydrophobicContact CG2-CG1 3.75Å |
| 722 | N | 93.1 | Very high | 89 | Confident | 13 Ų | 13 | 26.6 Ų | 26.6 | 7% | 0.07 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -59.8 | -37.3 | -179.1 | -172.8 | 49.7 | 0 | 0 | 0 | 112.8 | R638 P643 L646 I718 | R638-N722 VanDerWaalsContact CZ-O 3.22Å; R638-N722 PolarHBondContact NE-O 2.91Å; P643-N722 WeakPolarHBondContact CA-OD1 3.08Å; P643-N722 PolarHBondContact O-ND2 3.33Å; P643-N722 VanDerWaalsContact O-ND2 3.11Å; L646-N722 HydrophobicContact CD2-CB 3.65Å; I718-N722 VanDerWaalsContact O-CB 3.27Å; I718-N722 WeakPolarHBondContact O-CB 3.14Å; I718-N722 PolarHBondContact O-N 3.03Å |
| 723 | E | 92.7 | Very high | 87.3 | Confident | 5 Ų | 5 | 32.2 Ų | 32.2 | 2% | 0.023 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -93.6 | -41.3 | -176.4 | 179.6 | 64.1 | -172.8 | 0 | 0 | 113.1 | R564 F568 L637 R638 L719 T720 I721 M727 | R564-E723 IonicContact NE-OE1 3.58Å; R564-E723 PolarHBondContact NE-OE1 3.35Å; R564-E723 VanDerWaalsContact NE-OE1 3.1Å; F568-E723 HydrophobicContact CE2-CB 3.85Å; F568-E723 HydrophobicContact CE2-CG 4.23Å; F568-E723 HydrophobicContact CZ-CB 3.55Å; F568-E723 HydrophobicContact CZ-CG 3.75Å; L637-E723 HydrophobicContact CD2-CG 3.86Å; L637-E723 WeakPolarHBondContact CD2-OE1 3.28Å; R638-E723 WeakPolarHBondContact CG-OE2 3.3Å; R638-E723 VanDerWaalsContact CZ-O 3.26Å; R638-E723 PolarHBondContact NE-O 3.36Å; R638-E723 IonicContact NE-OE2 3.94Å; R638-E723 VanDerWaalsContact NH2-C 3.33Å; R638-E723 PolarHBondContact NH2-O 3.02Å; L719-E723 WeakPolarHBondContact O-CB 3.35Å; L719-E723 PolarHBondContact O-N 3.38Å; T720-E723 PolarHBondContact O-N 3.32Å; I721-E723 VanDerWaalsContact C-N 3.28Å; I721-E723 PolarHBondContact O-N 2.93Å; E723-M727 HydrophobicContact CG-CE 3.49Å; E723-M727 VanDerWaalsContact CG-CE 3.49Å; E723-M727 WeakPolarHBondContact O-CE 3.24Å; E723-M727 WeakPolarHBondContact OE1-CE 3.43Å |
| 724 | L | 90.5 | Very high | 85.3 | Confident | 0 Ų | 0 | 32.5 Ų | 32.5 | 0% | 0 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -91.3 | -14.6 | -168.7 | -59.8 | -173.9 | 0 | 0 | 0 | 114.9 | M565 T720 D726 M727 F729 G789 Y792 | M565-L724 HydrophobicContact SD-CD1 4.18Å; T720-L724 HydrophobicContact CG2-CD1 3.49Å; T720-L724 VanDerWaalsContact CG2-CD1 3.49Å; T720-L724 HydrophobicContact CG2-CG 4.06Å; T720-L724 VanDerWaalsContact O-CB 3.27Å; T720-L724 WeakPolarHBondContact O-CB 3.34Å; T720-L724 WeakPolarHBondContact O-CG 3.43Å; T720-L724 PolarHBondContact O-N 3.4Å; L724-D726 VanDerWaalsContact C-N 3.35Å; L724-D726 PolarHBondContact O-N 3.22Å; L724-M727 HydrophobicContact CD2-CE 3.78Å; L724-M727 PolarHBondContact O-N 2.84Å; L724-F729 HydrophobicContact CD2-CE2 3.88Å; L724-F729 HydrophobicContact CD2-CZ 3.61Å; L724-G789 WeakPolarHBondContact O-CA 3.44Å; L724-Y792 HydrophobicContact CD1-CD1 3.5Å; L724-Y792 VanDerWaalsContact CD1-CD1 3.5Å; L724-Y792 HydrophobicContact CD1-CE1 3.93Å; L724-Y792 HydrophobicContact CD1-CG 4.39Å |
| 725 | F | 85.7 | Confident | 83 | Confident | 85 Ų | 85 | 33.6 Ų | 33.6 | 37% | 0.373 | 19% | 0.189 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -56.1 | -40.3 | -166.9 | 178.6 | -90.6 | 0 | 0 | 0 | 115 | I721 V790 Y800 | I721-F725 VanDerWaalsContact O-CB 3.24Å; I721-F725 WeakPolarHBondContact O-CB 3.17Å; I721-F725 PolarHBondContact O-N 3.48Å; F725-V790 VanDerWaalsContact O-CG2 3.3Å; F725-V790 WeakPolarHBondContact O-CG2 3.34Å; F725-Y800 AromaticContact CD2-CD2 3.97Å; F725-Y800 HydrophobicContact CD2-CD2 3.97Å; F725-Y800 AromaticContact CE2-CD2 3.79Å; F725-Y800 HydrophobicContact CE2-CD2 3.79Å; F725-Y800 HydrophobicContact CE2-CE2 4.48Å |
| 726 | D | 84.5 | Confident | 80.3 | Confident | 95 Ų | 95 | 38.5 Ų | 38.5 | 51% | 0.508 | 22% | 0.22 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -110.7 | 13.8 | -179.8 | 63.8 | 26.4 | 0 | 0 | 0 | 114.2 | R638 L724 | R638-D726 IonicContact CZ-OD1 3.23Å; R638-D726 IonicContact CZ-OD2 2.69Å; R638-D726 IonicContact NE-OD1 3.1Å; R638-D726 VanDerWaalsContact NH1-CG 3.3Å; R638-D726 IonicContact NH1-OD1 3.67Å; R638-D726 PolarHBondContact NH1-OD1 3.03Å; R638-D726 IonicContact NH1-OD2 2.58Å; R638-D726 PolarHBondContact NH1-OD2 3.45Å; R638-D726 IonicContact NH2-OD1 3.96Å; R638-D726 PolarHBondContact NH2-OD1 3.39Å; R638-D726 IonicContact NH2-OD2 3.06Å; R638-D726 PolarHBondContact NH2-OD2 3.34Å; L724-D726 VanDerWaalsContact C-N 3.35Å; L724-D726 PolarHBondContact O-N 3.22Å |
| 727 | M | 85.5 | Confident | 77.5 | Confident | 20 Ų | 20 | 47 Ų | 47 | 10% | 0.099 | 25% | 0.254 | C | S | . | . | trans | -95.9 | 140.3 | 179.8 | -77.8 | -155.7 | -78.1 | 0 | 0 | 112.8 | E723 L724 F729 G789 | E723-M727 HydrophobicContact CG-CE 3.49Å; E723-M727 VanDerWaalsContact CG-CE 3.49Å; E723-M727 WeakPolarHBondContact O-CE 3.24Å; E723-M727 WeakPolarHBondContact OE1-CE 3.43Å; L724-M727 HydrophobicContact CD2-CE 3.78Å; L724-M727 PolarHBondContact O-N 2.84Å; M727-F729 HydrophobicContact CB-CE2 3.88Å; M727-F729 HydrophobicContact CB-CZ 3.99Å; M727-F729 HydrophobicContact CE-CZ 3.93Å; M727-F729 HydrophobicContact SD-CZ 4.16Å; M727-G789 PolarHBondContact O-N 3.1Å | ||
| 728 | T | 84.6 | Confident | 74.7 | Confident | 83 Ų | 83 | 51.3 Ų | 51.3 | 51% | 0.509 | 28% | 0.284 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.6 | 131.8 | 172.3 | 52.6 | 0 | 0 | 0 | 0 | 110.4 | ||
| 729 | F | 85.9 | Confident | 72.2 | Confident | 1 Ų | 1 | 58.1 Ų | 58.1 | 0% | 0.004 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.3 | 120.1 | -177.9 | -57.3 | -92.3 | 0 | 0 | 0 | 111.1 | K555 R557 I561 L724 M727 C786 I787 | K555-F729 WeakPolarHBondContact O-CA 3.05Å; R557-F729 HydrophobicContact CB-CB 4.43Å; I561-F729 HydrophobicContact CD1-CB 4.34Å; I561-F729 HydrophobicContact CD1-CD2 3.73Å; I561-F729 HydrophobicContact CD1-CE2 4.21Å; I561-F729 HydrophobicContact CD1-CG 4.01Å; I561-F729 HydrophobicContact CG1-CB 4.39Å; I561-F729 HydrophobicContact CG1-CD1 3.88Å; I561-F729 HydrophobicContact CG1-CD2 3.56Å; I561-F729 HydrophobicContact CG1-CE1 4Å; I561-F729 HydrophobicContact CG1-CE2 3.69Å; I561-F729 HydrophobicContact CG1-CG 3.67Å; I561-F729 HydrophobicContact CG1-CZ 3.92Å; L724-F729 HydrophobicContact CD2-CE2 3.88Å; L724-F729 HydrophobicContact CD2-CZ 3.61Å; M727-F729 HydrophobicContact CB-CE2 3.88Å; M727-F729 HydrophobicContact CB-CZ 3.99Å; M727-F729 HydrophobicContact CE-CZ 3.93Å; M727-F729 HydrophobicContact SD-CZ 4.16Å; F729-C786 CarbonylContact O-C 3.48Å; F729-C786 VanDerWaalsContact O-CA 3.24Å; F729-C786 WeakPolarHBondContact O-CA 3.48Å; F729-I787 PolarHBondContact N-O 3.44Å; F729-I787 PolarHBondContact O-N 2.79Å |
| 730 | C | 80.6 | Confident | 69.7 | Low | 34 Ų | 34 | 62.5 Ų | 62.5 | 23% | 0.23 | 34% | 0.337 | C | S | . | . | B | Isolated β-bridge | trans | -110.2 | 157.3 | -179.5 | -64.7 | 0 | 0 | 0 | 0 | 111.2 | W556 R557 C786 | W556-C730 CarbonylContact C-O 3.53Å; W556-C730 VanDerWaalsContact CA-O 3.31Å; W556-C730 WeakPolarHBondContact CA-O 3.48Å; R557-C730 PolarHBondContact N-O 3.03Å; C730-C786 VanDerWaalsContact CA-SG 3.58Å; C730-C786 HydrophobicContact CB-CB 4.11Å; C730-C786 WeakPolarHBondContact CB-SG 3.3Å; C730-C786 WeakPolarHBondContact SG-CB 3.45Å; C730-C786 CovalentContact SG-SG 2.04Å; C730-C786 PolarHBondContact SG-SG 2.87Å |
| 731 | P | 74.6 | Confident | 67.2 | Low | 31 Ų | 31 | 68.4 Ų | 68.4 | 20% | 0.201 | 38% | 0.378 | C | S | . | . | trans | -78.6 | 150 | 177.1 | 21.4 | -14.3 | 0 | 0 | 0 | 111.9 | S733 T734 I785 | P731-S733 PolarHBondContact O-N 2.62Å; P731-S733 VanDerWaalsContact O-N 3.12Å; P731-T734 HydrophobicContact CG-CG2 4.1Å; P731-T734 PolarHBondContact O-N 3.36Å; P731-T734 PolarHBondContact O-OG1 3.43Å; P731-I785 VanDerWaalsContact CD-CG2 3.42Å; P731-I785 VanDerWaalsContact CD-O 3.3Å; P731-I785 WeakPolarHBondContact CD-O 3.21Å; P731-I785 HydrophobicContact CG-CG2 3.11Å | ||
| 732 | E | 66.1 | Low | 64.7 | Low | 109 Ų | 109 | 72.8 Ų | 72.8 | 51% | 0.509 | 41% | 0.41 | S | S | . | . | G | 310 helix | trans | -58.2 | -27.6 | -173.6 | -170.2 | 158.5 | -148 | 0 | 0 | 114.3 | W556 T734 | W556-E732 HydrophobicContact CD2-CB 3.99Å; W556-E732 HydrophobicContact CD2-CG 4.28Å; W556-E732 VanDerWaalsContact CE3-CA 3.48Å; W556-E732 HydrophobicContact CE3-CB 3.97Å; W556-E732 HydrophobicContact CE3-CG 4.48Å; W556-E732 HydrophobicContact CH2-CB 4.21Å; W556-E732 HydrophobicContact CH2-CG 3.92Å; W556-E732 HydrophobicContact CZ2-CB 4.21Å; W556-E732 HydrophobicContact CZ2-CG 3.66Å; W556-E732 HydrophobicContact CZ3-CB 4.11Å; W556-E732 HydrophobicContact CZ3-CG 4.35Å; W556-E732 PolarHBondContact NE1-OE1 2.87Å; E732-T734 VanDerWaalsContact C-N 3.3Å; E732-T734 PolarHBondContact O-N 2.94Å |
| 733 | S | 59.4 | Low | 62.2 | Low | 117 Ų | 117 | 75.1 Ų | 75.1 | 82% | 0.818 | 42% | 0.424 | S | S | * | . | G | 310 helix | trans | -77.7 | -2.3 | -177.9 | 53.2 | 0 | 0 | 0 | 0 | 115.6 | P731 | P731-S733 PolarHBondContact O-N 2.62Å; P731-S733 VanDerWaalsContact O-N 3.12Å |
| 734 | T | 53.1 | Low | 59.7 | Low | 29 Ų | 29 | 80.1 Ų | 80.1 | 18% | 0.178 | 45% | 0.451 | C | S | . | . | G | 310 helix | trans | -93.9 | -2 | -174.5 | 49 | 0 | 0 | 0 | 0 | 115.6 | P731 E732 I785 | P731-T734 HydrophobicContact CG-CG2 4.1Å; P731-T734 PolarHBondContact O-N 3.36Å; P731-T734 PolarHBondContact O-OG1 3.43Å; E732-T734 VanDerWaalsContact C-N 3.3Å; E732-T734 PolarHBondContact O-N 2.94Å; T734-I785 HydrophobicContact CG2-CG2 3.66Å |
| 735 | L | 46.1 | Very low | 57.6 | Low | 61 Ų | 61 | 85.1 Ų | 85.1 | 32% | 0.319 | 47% | 0.473 | S | S | . | . | S | Bend | trans | -137.9 | 122 | -173.7 | -75.4 | 158.1 | 0 | 0 | 0 | 112 | Y737 L740 | L735-Y737 PolarHBondContact O-N 3.47Å; L735-L740 HydrophobicContact CD1-CD2 3.9Å; L735-L740 HydrophobicContact CD2-CB 4.33Å; L735-L740 HydrophobicContact CD2-CD1 3.93Å; L735-L740 HydrophobicContact CD2-CD2 3.9Å; L735-L740 HydrophobicContact CD2-CG 4.28Å |
| 736 | P | 40.4 | Very low | 55.4 | Low | 102 Ų | 102 | 87.7 Ų | 87.7 | 66% | 0.662 | 49% | 0.491 | S | S | * | . | trans | -64.9 | 123.9 | 163.9 | -0.8 | 14.7 | 0 | 0 | 0 | 108 | S738 | P736-S738 PolarHBondContact O-N 3.16Š| ||
| 737 | Y | 34.1 | Very low | 53.3 | Low | 183 Ų | 183 | 94 Ų | 94 | 72% | 0.718 | 51% | 0.508 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.9 | 20.9 | -161.5 | -128.1 | -95.4 | 0 | 0 | 0 | 117.2 | W556 L735 | W556-Y737 HydrophobicContact CH2-CE2 4.3Å; W556-Y737 AromaticContact CZ2-CE2 3.95Å; W556-Y737 HydrophobicContact CZ2-CE2 3.95Å; L735-Y737 PolarHBondContact O-N 3.47Å |
| 738 | S | 36.5 | Very low | 51.3 | Low | 100 Ų | 100 | 96 Ų | 96 | 70% | 0.699 | 52% | 0.517 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -135.3 | 0.2 | -169.8 | 63.2 | 0 | 0 | 0 | 0 | 118.5 | P736 | P736-S738 PolarHBondContact O-N 3.16Š|
| 739 | K | 42 | Very low | 48.9 | Very low | 143 Ų | 143 | 98.6 Ų | 98.6 | 62% | 0.622 | 53% | 0.529 | S | S | * | . | S | Bend | trans | -138.9 | 16.1 | -175.2 | -72.4 | -173.3 | -179.3 | 175.1 | 0 | 118.1 | S742 | K739-S742 PolarHBondContact O-OG 2.84Š|
| 740 | L | 42.4 | Very low | 46.7 | Very low | 93 Ų | 93 | 104 Ų | 104 | 49% | 0.487 | 56% | 0.561 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -104.7 | 29.7 | 176.3 | -146.4 | 84.9 | 0 | 0 | 0 | 114 | L735 V743 | L735-L740 HydrophobicContact CD1-CD2 3.9Å; L735-L740 HydrophobicContact CD2-CB 4.33Å; L735-L740 HydrophobicContact CD2-CD1 3.93Å; L735-L740 HydrophobicContact CD2-CD2 3.9Å; L735-L740 HydrophobicContact CD2-CG 4.28Å; L740-V743 HydrophobicContact CD1-CB 4.38Å; L740-V743 HydrophobicContact CD1-CG2 3.9Å; L740-V743 HydrophobicContact CG-CB 4.48Å; L740-V743 HydrophobicContact CG-CG2 4.43Å |
| 741 | S | 40.9 | Very low | 44.6 | Very low | 124 Ų | 124 | 106.6 Ų | 106.6 | 87% | 0.867 | 58% | 0.58 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -89.1 | -5.3 | 165.3 | 54.2 | 0 | 0 | 0 | 0 | 112.7 | ||
| 742 | S | 40.6 | Very low | 42.5 | Very low | 101 Ų | 101 | 111.4 Ų | 111.4 | 71% | 0.706 | 60% | 0.604 | S | S | * | * | S | Bend | trans | -105.8 | 2.7 | -176.7 | 60.4 | 0 | 0 | 0 | 0 | 114.8 | K739 | K739-S742 PolarHBondContact O-OG 2.84Š|
| 743 | V | 40 | Very low | 41 | Very low | 62 Ų | 62 | 111.8 Ų | 111.8 | 38% | 0.376 | 62% | 0.616 | S | S | . | * | trans | -105.6 | 98.3 | 177.4 | -174.1 | 0 | 0 | 0 | 0 | 109 | L740 F745 | L740-V743 HydrophobicContact CD1-CB 4.38Å; L740-V743 HydrophobicContact CD1-CG2 3.9Å; L740-V743 HydrophobicContact CG-CB 4.48Å; L740-V743 HydrophobicContact CG-CG2 4.43Å; V743-F745 HydrophobicContact CB-CE2 4.25Å; V743-F745 HydrophobicContact CG1-CD2 4.01Å; V743-F745 HydrophobicContact CG1-CE2 3.7Å; V743-F745 HydrophobicContact CG1-CZ 4.15Å; V743-F745 PolarHBondContact O-N 3.46Å | ||
| 744 | D | 41 | Very low | 40.2 | Very low | 109 Ų | 109 | 111.8 Ų | 111.8 | 58% | 0.583 | 61% | 0.613 | S | S | * | * | trans | -80.5 | 93.9 | 177.5 | -160.8 | 1.5 | 0 | 0 | 0 | 109.7 | N746 R747 | D744-N746 PolarHBondContact O-N 3.39Å; D744-N746 VanDerWaalsContact O-N 3.08Å; D744-N746 WeakPolarHBondContact OD1-CB 3.42Å; D744-N746 PolarHBondContact OD1-ND2 3.4Å; D744-R747 PolarHBondContact O-N 2.99Å | ||
| 745 | F | 45.6 | Very low | 39.6 | Very low | 105 Ų | 105 | 116.1 Ų | 116.1 | 46% | 0.461 | 63% | 0.627 | S | S | . | * | G | 310 helix | trans | -65.1 | -4.5 | 176.6 | -81.2 | -87.9 | 0 | 0 | 0 | 113.5 | V743 R747 I748 L762 | V743-F745 HydrophobicContact CB-CE2 4.25Å; V743-F745 HydrophobicContact CG1-CD2 4.01Å; V743-F745 HydrophobicContact CG1-CE2 3.7Å; V743-F745 HydrophobicContact CG1-CZ 4.15Å; V743-F745 PolarHBondContact O-N 3.46Å; F745-R747 PolarHBondContact O-N 3.11Å; F745-I748 HydrophobicContact CD1-CD1 4.34Å; F745-L762 HydrophobicContact CD1-CD1 4.43Å; F745-L762 HydrophobicContact CE1-CD1 3.78Å |
| 746 | N | 40.5 | Very low | 39.6 | Very low | 140 Ų | 140 | 116.6 Ų | 116.6 | 75% | 0.749 | 64% | 0.635 | S | S | * | * | G | 310 helix | trans | -75.3 | -0.4 | 176.4 | -63.5 | -43.7 | 0 | 0 | 0 | 114.3 | D744 I748 | D744-N746 PolarHBondContact O-N 3.39Å; D744-N746 VanDerWaalsContact O-N 3.08Å; D744-N746 WeakPolarHBondContact OD1-CB 3.42Å; D744-N746 PolarHBondContact OD1-ND2 3.4Å; N746-I748 PolarHBondContact O-N 2.83Å |
| 747 | R | 38.8 | Very low | 39.7 | Very low | 228 Ų | 228 | 117.2 Ų | 117.2 | 86% | 0.86 | 63% | 0.633 | S | S | * | * | G | 310 helix | trans | -77.2 | 1.4 | 172.8 | -90.5 | -170.6 | -178.5 | -176.7 | 2.1 | 114.9 | D744 F745 N749 | D744-R747 PolarHBondContact O-N 2.99Å; F745-R747 PolarHBondContact O-N 3.11Å; R747-N749 PolarHBondContact O-N 3.23Å |
| 748 | I | 43.3 | Very low | 40.1 | Very low | 60 Ų | 60 | 111.1 Ų | 111.1 | 31% | 0.308 | 62% | 0.615 | S | S | . | * | trans | -91 | 93.7 | -177.7 | -51.3 | 177.9 | 0 | 0 | 0 | 109.4 | F745 N746 V750 Y755 | F745-I748 HydrophobicContact CD1-CD1 4.34Å; N746-I748 PolarHBondContact O-N 2.83Å; I748-V750 PolarHBondContact O-N 3.12Å; I748-Y755 HydrophobicContact CG2-CE1 3.76Å; I748-Y755 WeakPolarHBondContact CG2-OH 3.33Å | ||
| 749 | N | 34.4 | Very low | 40.4 | Very low | 139 Ų | 139 | 108.3 Ų | 108.3 | 74% | 0.743 | 59% | 0.594 | S | S | * | * | trans | -66.7 | 122.4 | 171.3 | -86.5 | -22.7 | 0 | 0 | 0 | 110.6 | R747 S751 | R747-N749 PolarHBondContact O-N 3.23Å; N749-S751 PolarHBondContact O-N 3.41Å | ||
| 750 | V | 40.5 | Very low | 40.6 | Very low | 113 Ų | 113 | 103.8 Ų | 103.8 | 69% | 0.685 | 58% | 0.58 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -82.6 | 48.5 | -174.8 | -170.5 | 0 | 0 | 0 | 0 | 111.7 | I748 | I748-V750 PolarHBondContact O-N 3.12Š|
| 751 | S | 36.5 | Very low | 40.8 | Very low | 90 Ų | 90 | 104.8 Ų | 104.8 | 63% | 0.629 | 59% | 0.585 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -116.6 | -4.4 | -177.9 | 49.9 | 0 | 0 | 0 | 0 | 116.9 | N749 | N749-S751 PolarHBondContact O-N 3.41Š|
| 752 | D | 29.5 | Very low | 41.2 | Very low | 131 Ų | 131 | 101.9 Ų | 101.9 | 70% | 0.701 | 56% | 0.56 | S | S | * | * | S | Bend | trans | -124.7 | 132.9 | -179.8 | -63.8 | -40.2 | 0 | 0 | 0 | 113.5 | ||
| 753 | P | 34.6 | Very low | 41.7 | Very low | 118 Ų | 118 | 99.4 Ų | 99.4 | 77% | 0.766 | 54% | 0.538 | S | S | * | . | S | Bend | trans | -96 | 156.5 | 168.2 | 36.8 | -29.2 | 0 | 0 | 0 | 111.3 | ||
| 754 | P | 44 | Very low | 42.3 | Very low | 117 Ų | 117 | 100.5 Ų | 100.5 | 76% | 0.76 | 54% | 0.542 | S | S | * | . | cis | -97.1 | 153.2 | -26 | 35.5 | -24.1 | 0 | 0 | 0 | 111.9 | S756 | P754-S756 PolarHBondContact O-N 3.32Š| ||
| 755 | Y | 39.2 | Very low | 42.9 | Very low | 119 Ų | 119 | 101.7 Ų | 101.7 | 47% | 0.467 | 54% | 0.544 | S | S | . | . | trans | -67.3 | 99.3 | 177.1 | -84.4 | -115.1 | 0 | 0 | 0 | 111.7 | I748 T758 | I748-Y755 HydrophobicContact CG2-CE1 3.76Å; I748-Y755 WeakPolarHBondContact CG2-OH 3.33Å; Y755-T758 WeakPolarHBondContact CD1-OG1 3.47Å; Y755-T758 WeakPolarHBondContact CE1-OG1 3.26Å | ||
| 756 | S | 46.2 | Very low | 43.1 | Very low | 71 Ų | 71 | 101.5 Ų | 101.5 | 50% | 0.497 | 54% | 0.54 | S | S | . | . | S | Bend | trans | -126.2 | -18.4 | 156.5 | 65.2 | 0 | 0 | 0 | 0 | 112.9 | P754 S760 | P754-S756 PolarHBondContact O-N 3.32Å; S756-S760 PolarHBondContact O-OG 2.86Å |
| 757 | N | 42.9 | Very low | 43.7 | Very low | 115 Ų | 115 | 100.1 Ų | 100.1 | 62% | 0.615 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -100.7 | -21.9 | -167.5 | -67.8 | -4.4 | 0 | 0 | 0 | 114.5 | S760 L761 | N757-S760 WeakPolarHBondContact CA-OG 3.41Å; N757-S760 PolarHBondContact O-OG 3.49Å; N757-L761 PolarHBondContact O-N 2.99Å |
| 758 | T | 42.6 | Very low | 44.4 | Very low | 56 Ų | 56 | 96.1 Ų | 96.1 | 34% | 0.344 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -80.2 | -35.6 | 176.9 | 32.9 | 0 | 0 | 0 | 0 | 111.9 | Y755 S760 L761 L762 | Y755-T758 WeakPolarHBondContact CD1-OG1 3.47Å; Y755-T758 WeakPolarHBondContact CE1-OG1 3.26Å; T758-S760 VanDerWaalsContact C-N 3.34Å; T758-L761 PolarHBondContact O-N 3.37Å; T758-L762 PolarHBondContact O-N 3.43Å |
| 759 | T | 43.2 | Very low | 45.2 | Very low | 41 Ų | 41 | 96.2 Ų | 96.2 | 25% | 0.252 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -64.2 | -40 | 170.9 | -19.5 | 0 | 0 | 0 | 0 | 111 | I763 E783 | T759-I763 HydrophobicContact CG2-CD1 4.22Å; T759-I763 WeakPolarHBondContact O-CB 3.45Å; T759-I763 VanDerWaalsContact O-CD1 3.29Å; T759-I763 WeakPolarHBondContact O-CD1 3.13Å; T759-I763 WeakPolarHBondContact O-CG1 3.26Å; T759-I763 PolarHBondContact O-N 2.7Å; T759-E783 HydrophobicContact CG2-CG 4.45Å |
| 760 | S | 45.7 | Very low | 45.9 | Very low | 48 Ų | 48 | 98.1 Ų | 98.1 | 34% | 0.336 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -70.7 | -31.5 | 179.3 | 63.3 | 0 | 0 | 0 | 0 | 113.5 | S756 N757 T758 N764 | S756-S760 PolarHBondContact O-OG 2.86Å; N757-S760 WeakPolarHBondContact CA-OG 3.41Å; N757-S760 PolarHBondContact O-OG 3.49Å; T758-S760 VanDerWaalsContact C-N 3.34Å; S760-N764 WeakPolarHBondContact O-CB 3.47Å; S760-N764 VanDerWaalsContact O-CG 3.23Å; S760-N764 PolarHBondContact O-N 3.4Å; S760-N764 PolarHBondContact O-ND2 2.77Å |
| 761 | L | 47.5 | Very low | 46.3 | Very low | 113 Ų | 113 | 99.5 Ų | 99.5 | 59% | 0.592 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -66.9 | -45.9 | 173.6 | -99 | 159.8 | 0 | 0 | 0 | 112.7 | N757 T758 I763 N764 E765 | N757-L761 PolarHBondContact O-N 2.99Å; T758-L761 PolarHBondContact O-N 3.37Å; L761-I763 VanDerWaalsContact C-N 3.35Å; L761-N764 PolarHBondContact O-N 3.48Å; L761-E765 PolarHBondContact O-N 3.37Å |
| 762 | L | 48.4 | Very low | 46.9 | Very low | 64 Ų | 64 | 98.9 Ų | 98.9 | 34% | 0.335 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -68.2 | -34.4 | 176.5 | -71.3 | 169.3 | 0 | 0 | 0 | 112.2 | F745 T758 N764 W766 | F745-L762 HydrophobicContact CD1-CD1 4.43Å; F745-L762 HydrophobicContact CE1-CD1 3.78Å; T758-L762 PolarHBondContact O-N 3.43Å; L762-N764 VanDerWaalsContact C-N 3.34Å; L762-W766 WeakPolarHBondContact O-CB 3.41Å; L762-W766 PolarHBondContact O-N 3.45Å |
| 763 | I | 50.7 | Low | 47.8 | Very low | 48 Ų | 48 | 100.8 Ų | 100.8 | 25% | 0.246 | 52% | 0.516 | C | S | . | . | H | α-helix | trans | -66.2 | -36.9 | 172.5 | -70.9 | 165.5 | 0 | 0 | 0 | 111 | T759 L761 W766 K767 L782 | T759-I763 HydrophobicContact CG2-CD1 4.22Å; T759-I763 WeakPolarHBondContact O-CB 3.45Å; T759-I763 VanDerWaalsContact O-CD1 3.29Å; T759-I763 WeakPolarHBondContact O-CD1 3.13Å; T759-I763 WeakPolarHBondContact O-CG1 3.26Å; T759-I763 PolarHBondContact O-N 2.7Å; L761-I763 VanDerWaalsContact C-N 3.35Å; I763-W766 PolarHBondContact O-N 3.2Å; I763-K767 HydrophobicContact CG2-CD 4.36Å; I763-K767 WeakPolarHBondContact O-CB 3.23Å; I763-K767 WeakPolarHBondContact O-CG 3.12Å; I763-K767 PolarHBondContact O-N 3.16Å; I763-L782 HydrophobicContact CD1-CB 4.36Å; I763-L782 HydrophobicContact CG1-CD2 4.36Å |
| 764 | N | 52.3 | Low | 48.3 | Very low | 85 Ų | 85 | 100.2 Ų | 100.2 | 46% | 0.455 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -71.7 | -37 | 176.7 | -78.3 | -16.8 | 0 | 0 | 0 | 112.7 | S760 L761 L762 W766 K767 N768 | S760-N764 WeakPolarHBondContact O-CB 3.47Å; S760-N764 VanDerWaalsContact O-CG 3.23Å; S760-N764 PolarHBondContact O-N 3.4Å; S760-N764 PolarHBondContact O-ND2 2.77Å; L761-N764 PolarHBondContact O-N 3.48Å; L762-N764 VanDerWaalsContact C-N 3.34Å; N764-W766 VanDerWaalsContact C-N 3.34Å; N764-K767 PolarHBondContact O-N 3.34Å; N764-N768 PolarHBondContact O-N 3.47Å; N764-N768 PolarHBondContact O-ND2 3.33Å |
| 765 | E | 54.5 | Low | 48.3 | Very low | 134 Ų | 134 | 97.9 Ų | 97.9 | 63% | 0.626 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -64.9 | -38.7 | 170.3 | -81.7 | -175.5 | 152.6 | 0 | 0 | 111.8 | L761 N768 | L761-E765 PolarHBondContact O-N 3.37Å; E765-N768 PolarHBondContact O-N 3.5Å |
| 766 | W | 50.9 | Low | 48.6 | Very low | 102 Ų | 102 | 97.1 Ų | 97.1 | 39% | 0.386 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -66.6 | -40.5 | 176.4 | -165.7 | 76.7 | 0 | 0 | 0 | 112.4 | L762 I763 N764 N768 T769 F772 | L762-W766 WeakPolarHBondContact O-CB 3.41Å; L762-W766 PolarHBondContact O-N 3.45Å; I763-W766 PolarHBondContact O-N 3.2Å; N764-W766 VanDerWaalsContact C-N 3.34Å; W766-N768 PolarHBondContact O-N 3.29Å; W766-T769 PolarHBondContact O-N 3.16Å; W766-T769 PolarHBondContact O-OG1 3.05Å; W766-F772 HydrophobicContact CE3-CD2 4.45Å; W766-F772 HydrophobicContact CZ3-CD2 4.01Å; W766-F772 HydrophobicContact CZ3-CE2 4.24Å |
| 767 | K | 51.5 | Low | 48.3 | Very low | 111 Ų | 111 | 96.1 Ų | 96.1 | 48% | 0.483 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -61.2 | -25.5 | 173.8 | -80.1 | 177.1 | 178.3 | 179.8 | 0 | 113.8 | I763 N764 T769 | I763-K767 HydrophobicContact CG2-CD 4.36Å; I763-K767 WeakPolarHBondContact O-CB 3.23Å; I763-K767 WeakPolarHBondContact O-CG 3.12Å; I763-K767 PolarHBondContact O-N 3.16Å; N764-K767 PolarHBondContact O-N 3.34Å; K767-T769 VanDerWaalsContact C-N 3.35Å |
| 768 | N | 54.7 | Low | 48.2 | Very low | 143 Ų | 143 | 99.7 Ų | 99.7 | 77% | 0.765 | 52% | 0.524 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -90 | 5.7 | 179.6 | -73.7 | -18.8 | 0 | 0 | 0 | 113.7 | N764 E765 W766 | N764-N768 PolarHBondContact O-N 3.47Å; N764-N768 PolarHBondContact O-ND2 3.33Å; E765-N768 PolarHBondContact O-N 3.5Å; W766-N768 PolarHBondContact O-N 3.29Å |
| 769 | T | 59.2 | Low | 48.4 | Very low | 63 Ų | 63 | 99.3 Ų | 99.3 | 39% | 0.387 | 52% | 0.52 | S | S | . | . | S | Bend | trans | -88.4 | 144.2 | 172.1 | 56.6 | 0 | 0 | 0 | 0 | 111.6 | W766 K767 Y771 F772 | W766-T769 PolarHBondContact O-N 3.16Å; W766-T769 PolarHBondContact O-OG1 3.05Å; K767-T769 VanDerWaalsContact C-N 3.35Å; T769-Y771 PolarHBondContact O-N 3.27Å; T769-F772 PolarHBondContact O-N 2.88Å |
| 770 | E | 49.5 | Very low | 48.5 | Very low | 179 Ų | 179 | 105.9 Ų | 105.9 | 84% | 0.836 | 55% | 0.547 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.4 | -7.5 | -176.7 | -123.7 | 174.6 | -178.4 | 0 | 0 | 115.1 | ||
| 771 | Y | 47.8 | Very low | 48.6 | Very low | 142 Ų | 142 | 108.4 Ų | 108.4 | 56% | 0.557 | 56% | 0.557 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -93.5 | -7.2 | -175.9 | -62.8 | -79.1 | 0 | 0 | 0 | 114.4 | T769 H773 T774 | T769-Y771 PolarHBondContact O-N 3.27Å; Y771-H773 PolarHBondContact O-N 2.91Å; Y771-T774 PolarHBondContact O-N 3.3Å; Y771-T774 PolarHBondContact O-OG1 3.36Å; Y771-T774 VanDerWaalsContact O-OG1 3.13Å |
| 772 | F | 50.6 | Low | 48.5 | Very low | 77 Ų | 77 | 106.2 Ų | 106.2 | 34% | 0.338 | 55% | 0.546 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -65 | -25.3 | 176.4 | -170.1 | -102.6 | 0 | 0 | 0 | 112.3 | W766 T769 | W766-F772 HydrophobicContact CE3-CD2 4.45Å; W766-F772 HydrophobicContact CZ3-CD2 4.01Å; W766-F772 HydrophobicContact CZ3-CE2 4.24Å; T769-F772 PolarHBondContact O-N 2.88Å |
| 773 | H | 47.3 | Very low | 48.6 | Very low | 171 Ų | 171 | 109.2 Ų | 109.2 | 79% | 0.792 | 56% | 0.558 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -88.5 | -4.1 | -177 | -76.4 | -68.5 | 0 | 0 | 0 | 115.5 | Y771 G775 | Y771-H773 PolarHBondContact O-N 2.91Å; H773-G775 VanDerWaalsContact C-N 3.34Å; H773-G775 PolarHBondContact O-N 3.2Å |
| 774 | T | 45.8 | Very low | 48.8 | Very low | 105 Ų | 105 | 110.5 Ų | 110.5 | 64% | 0.644 | 57% | 0.572 | S | S | * | * | S | Bend | trans | -91.8 | 27.9 | -178.3 | 52.8 | 0 | 0 | 0 | 0 | 114.9 | Y771 | Y771-T774 PolarHBondContact O-N 3.3Å; Y771-T774 PolarHBondContact O-OG1 3.36Å; Y771-T774 VanDerWaalsContact O-OG1 3.13Å |
| 775 | G | 43.5 | Very low | 49.5 | Very low | 69 Ų | 69 | 108.3 Ų | 108.3 | 71% | 0.711 | 56% | 0.559 | S | S | * | * | S | Bend | trans | 89.5 | 17.3 | 167.6 | 0 | 0 | 0 | 0 | 0 | 116.9 | H773 G777 | H773-G775 VanDerWaalsContact C-N 3.34Å; H773-G775 PolarHBondContact O-N 3.2Å; G775-G777 VanDerWaalsContact C-N 3.27Å |
| 776 | I | 46.1 | Very low | 50.5 | Low | 102 Ų | 102 | 103 Ų | 103 | 52% | 0.523 | 54% | 0.537 | S | S | . | . | trans | -99.3 | 33 | 167 | -46.6 | 178.9 | 0 | 0 | 0 | 109.8 | E778 I779 | I776-E778 VanDerWaalsContact C-N 3.26Å; I776-E778 PolarHBondContact O-N 3.07Å; I776-E778 VanDerWaalsContact O-N 3.12Å; I776-I779 HydrophobicContact CG2-CD1 3.8Å; I776-I779 HydrophobicContact CG2-CG1 4.32Å | ||
| 777 | G | 39.6 | Very low | 52 | Low | 50 Ų | 50 | 100 Ų | 100 | 52% | 0.515 | 53% | 0.528 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -77 | 13.5 | -168.9 | 0 | 0 | 0 | 0 | 0 | 116.8 | G775 | G775-G777 VanDerWaalsContact C-N 3.27Š|
| 778 | E | 41.9 | Very low | 53.6 | Low | 190 Ų | 190 | 96.4 Ų | 96.4 | 89% | 0.888 | 52% | 0.517 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -120.2 | 25.4 | 179.1 | -78.6 | -166.7 | 161.3 | 0 | 0 | 114.2 | I776 Q780 | I776-E778 VanDerWaalsContact C-N 3.26Å; I776-E778 PolarHBondContact O-N 3.07Å; I776-E778 VanDerWaalsContact O-N 3.12Å; E778-Q780 VanDerWaalsContact C-N 3.3Å; E778-Q780 PolarHBondContact O-N 3.46Å |
| 779 | I | 46.7 | Very low | 55 | Low | 49 Ų | 49 | 89.6 Ų | 89.6 | 25% | 0.251 | 48% | 0.48 | S | S | . | . | trans | -90.8 | 72.9 | 167.4 | -56.9 | 176.5 | 0 | 0 | 0 | 108.8 | I776 N781 L782 I785 | I776-I779 HydrophobicContact CG2-CD1 3.8Å; I776-I779 HydrophobicContact CG2-CG1 4.32Å; I779-N781 PolarHBondContact O-N 3.34Å; I779-L782 HydrophobicContact CG2-CD1 4.15Å; I779-I785 HydrophobicContact CB-CD1 4.35Å; I779-I785 HydrophobicContact CD1-CD1 4.28Å; I779-I785 HydrophobicContact CG1-CD1 4.1Å; I779-I785 HydrophobicContact CG2-CD1 3.47Å; I779-I785 VanDerWaalsContact CG2-CD1 3.47Å | ||
| 780 | Q | 44.1 | Very low | 56.3 | Low | 178 Ų | 178 | 88.2 Ų | 88.2 | 83% | 0.832 | 47% | 0.472 | S | S | * | . | trans | -77 | -3.4 | 174.2 | -85.4 | -166.1 | -10.2 | 0 | 0 | 114 | E778 | E778-Q780 VanDerWaalsContact C-N 3.3Å; E778-Q780 PolarHBondContact O-N 3.46Å | ||
| 781 | N | 47.7 | Very low | 58.1 | Low | 101 Ų | 101 | 84.5 Ų | 84.5 | 54% | 0.54 | 45% | 0.454 | S | S | . | . | trans | -146.9 | 88.9 | 176.1 | -78 | -45.5 | 0 | 0 | 0 | 111.3 | I779 E783 S784 | I779-N781 PolarHBondContact O-N 3.34Å; N781-E783 PolarHBondContact O-N 3.2Å; N781-S784 PolarHBondContact O-N 3.2Å; N781-S784 PolarHBondContact O-OG 3.28Å | ||
| 782 | L | 45.9 | Very low | 59.9 | Low | 68 Ų | 68 | 79.7 Ų | 79.7 | 36% | 0.356 | 44% | 0.436 | S | S | . | . | H | α-helix | trans | -58.3 | -28.8 | 169.8 | -152.9 | 77.4 | 0 | 0 | 0 | 111.2 | I763 I779 S784 I785 C786 | I763-L782 HydrophobicContact CD1-CB 4.36Å; I763-L782 HydrophobicContact CG1-CD2 4.36Å; I779-L782 HydrophobicContact CG2-CD1 4.15Å; L782-S784 VanDerWaalsContact C-N 3.29Å; L782-S784 PolarHBondContact O-N 3.08Å; L782-I785 PolarHBondContact O-N 3.35Å; L782-C786 PolarHBondContact O-N 3.21Å |
| 783 | E | 49.9 | Very low | 61.7 | Low | 127 Ų | 127 | 76 Ų | 76 | 59% | 0.593 | 42% | 0.419 | S | S | * | . | H | α-helix | trans | -65.5 | -21.1 | 172.6 | -73.6 | -175.7 | 165.4 | 0 | 0 | 114.6 | T759 N781 | T759-E783 HydrophobicContact CG2-CG 4.45Å; N781-E783 PolarHBondContact O-N 3.2Å |
| 784 | S | 55.9 | Low | 63.6 | Low | 75 Ų | 75 | 72.5 Ų | 72.5 | 52% | 0.524 | 40% | 0.403 | S | S | . | . | H | α-helix | trans | -84.9 | -18.8 | 174.9 | 73.1 | 0 | 0 | 0 | 0 | 112.6 | R557 N781 L782 | R557-S784 PolarHBondContact NH1-O 3.13Å; N781-S784 PolarHBondContact O-N 3.2Å; N781-S784 PolarHBondContact O-OG 3.28Å; L782-S784 VanDerWaalsContact C-N 3.29Å; L782-S784 PolarHBondContact O-N 3.08Å |
| 785 | I | 67 | Low | 65.4 | Low | 38 Ų | 38 | 70.5 Ų | 70.5 | 20% | 0.195 | 39% | 0.394 | C | S | . | . | H | α-helix | trans | -99.1 | -37.3 | -168.2 | -59.3 | -178.2 | 0 | 0 | 0 | 111.9 | R557 P731 T734 I779 L782 | R557-I785 WeakPolarHBondContact CD-O 3.25Å; R557-I785 VanDerWaalsContact NH1-C 3.28Å; R557-I785 PolarHBondContact NH1-O 3.46Å; P731-I785 VanDerWaalsContact CD-CG2 3.42Å; P731-I785 VanDerWaalsContact CD-O 3.3Å; P731-I785 WeakPolarHBondContact CD-O 3.21Å; P731-I785 HydrophobicContact CG-CG2 3.11Å; T734-I785 HydrophobicContact CG2-CG2 3.66Å; I779-I785 HydrophobicContact CB-CD1 4.35Å; I779-I785 HydrophobicContact CD1-CD1 4.28Å; I779-I785 HydrophobicContact CG1-CD1 4.1Å; I779-I785 HydrophobicContact CG2-CD1 3.47Å; I779-I785 VanDerWaalsContact CG2-CD1 3.47Å; L782-I785 PolarHBondContact O-N 3.35Å |
| 786 | C | 75.1 | Confident | 67.3 | Low | 23 Ų | 23 | 69.4 Ų | 69.4 | 16% | 0.155 | 37% | 0.37 | C | S | . | . | S | Bend | trans | -98.4 | 139.6 | 175.7 | -55 | 0 | 0 | 0 | 0 | 111.6 | F729 C730 L782 | F729-C786 CarbonylContact O-C 3.48Å; F729-C786 VanDerWaalsContact O-CA 3.24Å; F729-C786 WeakPolarHBondContact O-CA 3.48Å; C730-C786 VanDerWaalsContact CA-SG 3.58Å; C730-C786 HydrophobicContact CB-CB 4.11Å; C730-C786 WeakPolarHBondContact CB-SG 3.3Å; C730-C786 WeakPolarHBondContact SG-CB 3.45Å; C730-C786 CovalentContact SG-SG 2.04Å; C730-C786 PolarHBondContact SG-SG 2.87Å; L782-C786 PolarHBondContact O-N 3.21Å |
| 787 | I | 81.5 | Confident | 69.1 | Low | 40 Ų | 40 | 67.2 Ų | 67.2 | 21% | 0.205 | 37% | 0.372 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.4 | 125.6 | 171.9 | -72.3 | 174.9 | 0 | 0 | 0 | 108.5 | R557 I561 F729 Q791 | R557-I787 HydrophobicContact CG-CB 4.34Å; R557-I787 HydrophobicContact CG-CD1 3.87Å; R557-I787 HydrophobicContact CG-CG1 4.12Å; R557-I787 VanDerWaalsContact CZ-CG1 3.49Å; R557-I787 VanDerWaalsContact NE-CG1 3.31Å; I561-I787 HydrophobicContact CD1-CG2 4.16Å; F729-I787 PolarHBondContact N-O 3.44Å; F729-I787 PolarHBondContact O-N 2.79Å; I787-Q791 HydrophobicContact CG2-CB 4.29Å |
| 788 | S | 85.1 | Confident | 71.2 | Confident | 35 Ų | 35 | 65.4 Ų | 65.4 | 25% | 0.245 | 35% | 0.351 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -74 | 141.1 | 165.7 | 175.1 | 0 | 0 | 0 | 0 | 109.9 | V790 Q791 Y792 | S788-V790 PolarHBondContact O-N 3.17Å; S788-V790 VanDerWaalsContact O-N 3.11Å; S788-V790 PolarHBondContact OG-N 3.24Å; S788-Q791 VanDerWaalsContact N-OE1 3.15Å; S788-Q791 WeakPolarHBondContact O-CB 3.39Å; S788-Q791 PolarHBondContact O-N 3.27Å; S788-Y792 PolarHBondContact O-N 3.14Å |
| 789 | G | 85.3 | Confident | 73.2 | Confident | 0 Ų | 0 | 62.6 Ų | 62.6 | 0% | 0 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -57 | -26.2 | 174.2 | 0 | 0 | 0 | 0 | 0 | 112.7 | L724 M727 Y792 L793 | L724-G789 WeakPolarHBondContact O-CA 3.44Å; M727-G789 PolarHBondContact O-N 3.1Å; G789-Y792 WeakPolarHBondContact O-CB 3.45Å; G789-Y792 PolarHBondContact O-N 3.5Å; G789-L793 WeakPolarHBondContact O-CG 2.97Å; G789-L793 PolarHBondContact O-N 3.28Å |
| 790 | V | 86.9 | Confident | 74.9 | Confident | 34 Ų | 34 | 61.7 Ų | 61.7 | 21% | 0.206 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -60.8 | -44.7 | 170.3 | 176.3 | 0 | 0 | 0 | 0 | 112.4 | F725 S788 Y792 L793 E794 Y800 | F725-V790 VanDerWaalsContact O-CG2 3.3Å; F725-V790 WeakPolarHBondContact O-CG2 3.34Å; S788-V790 PolarHBondContact O-N 3.17Å; S788-V790 VanDerWaalsContact O-N 3.11Å; S788-V790 PolarHBondContact OG-N 3.24Å; V790-Y792 VanDerWaalsContact C-N 3.26Å; V790-Y792 PolarHBondContact O-N 3.43Å; V790-L793 WeakPolarHBondContact O-CB 3.16Å; V790-L793 PolarHBondContact O-N 3.11Å; V790-E794 WeakPolarHBondContact O-CG 3.37Å; V790-E794 PolarHBondContact O-N 2.76Å; V790-Y800 HydrophobicContact CB-CE2 4.48Å; V790-Y800 HydrophobicContact CG1-CD2 4.38Å; V790-Y800 HydrophobicContact CG1-CE1 4.15Å; V790-Y800 HydrophobicContact CG1-CE2 3.46Å; V790-Y800 VanDerWaalsContact CG1-CE2 3.46Å; V790-Y800 WeakPolarHBondContact CG1-OH 3.31Å; V790-Y800 HydrophobicContact CG2-CE2 4.39Å |
| 791 | Q | 85.9 | Confident | 76.6 | Confident | 100 Ų | 100 | 62.9 Ų | 62.9 | 47% | 0.467 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -64 | -35.6 | 176.7 | -69.2 | 171.3 | -30.2 | 0 | 0 | 111.1 | I787 S788 E794 S795 | I787-Q791 HydrophobicContact CG2-CB 4.29Å; S788-Q791 VanDerWaalsContact N-OE1 3.15Å; S788-Q791 WeakPolarHBondContact O-CB 3.39Å; S788-Q791 PolarHBondContact O-N 3.27Å; Q791-E794 PolarHBondContact O-N 3.29Å; Q791-S795 PolarHBondContact O-N 3.15Å |
| 792 | Y | 86.8 | Confident | 78.4 | Confident | 42 Ų | 42 | 60.4 Ų | 60.4 | 17% | 0.165 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -64.5 | -46.2 | 173.4 | -178.7 | -97.8 | 0 | 0 | 0 | 111.5 | I561 M565 T720 L724 S788 G789 V790 E794 S795 Q796 | I561-Y792 HydrophobicContact CG2-CD1 4.3Å; I561-Y792 HydrophobicContact CG2-CD2 3.8Å; I561-Y792 HydrophobicContact CG2-CE1 4.23Å; I561-Y792 HydrophobicContact CG2-CE2 3.72Å; I561-Y792 HydrophobicContact CG2-CG 4.09Å; M565-Y792 HydrophobicContact CE-CE1 4.11Å; M565-Y792 HydrophobicContact CG-CE1 3.94Å; M565-Y792 HydrophobicContact SD-CE1 3.82Å; T720-Y792 HydrophobicContact CG2-CD1 4.48Å; T720-Y792 HydrophobicContact CG2-CE1 4.25Å; L724-Y792 HydrophobicContact CD1-CD1 3.5Å; L724-Y792 VanDerWaalsContact CD1-CD1 3.5Å; L724-Y792 HydrophobicContact CD1-CE1 3.93Å; L724-Y792 HydrophobicContact CD1-CG 4.39Å; S788-Y792 PolarHBondContact O-N 3.14Å; G789-Y792 WeakPolarHBondContact O-CB 3.45Å; G789-Y792 PolarHBondContact O-N 3.5Å; V790-Y792 VanDerWaalsContact C-N 3.26Å; V790-Y792 PolarHBondContact O-N 3.43Å; Y792-E794 VanDerWaalsContact C-N 3.3Å; Y792-E794 PolarHBondContact O-N 3.48Å; Y792-S795 WeakPolarHBondContact O-CB 3.49Å; Y792-S795 PolarHBondContact O-N 2.87Å; Y792-S795 VanDerWaalsContact O-N 3.12Å; Y792-S795 PolarHBondContact O-OG 3.26Å; Y792-Q796 HydrophobicContact CD1-CG 4.3Å; Y792-Q796 HydrophobicContact CE1-CG 3.79Å; Y792-Q796 HydrophobicContact CE2-CG 4.17Å; Y792-Q796 WeakPolarHBondContact O-CG 3.46Å; Y792-Q796 PolarHBondContact O-N 2.83Å; Y792-Q796 VanDerWaalsContact O-N 3.15Å |
| 793 | L | 88.5 | Confident | 80 | Confident | 0 Ų | 0 | 66.4 Ų | 66.4 | 0% | 0 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -57.2 | -42.3 | 176.1 | -71.1 | 167 | 0 | 0 | 0 | 112.1 | T720 I721 G789 V790 Q796 G797 I798 Y800 | T720-L793 HydrophobicContact CG2-CD2 3.7Å; I721-L793 HydrophobicContact CG1-CD2 3.96Å; G789-L793 WeakPolarHBondContact O-CG 2.97Å; G789-L793 PolarHBondContact O-N 3.28Å; V790-L793 WeakPolarHBondContact O-CB 3.16Å; V790-L793 PolarHBondContact O-N 3.11Å; L793-Q796 PolarHBondContact O-N 3.31Å; L793-G797 PolarHBondContact O-N 3.03Å; L793-I798 HydrophobicContact CD2-CB 4.12Å; L793-I798 HydrophobicContact CD2-CD1 4.08Å; L793-I798 HydrophobicContact CD2-CG2 4.01Å; L793-I798 PolarHBondContact O-N 3.41Å; L793-Y800 HydrophobicContact CB-CD1 3.81Å; L793-Y800 HydrophobicContact CB-CE1 4.42Å; L793-Y800 HydrophobicContact CB-CG 4.28Å; L793-Y800 HydrophobicContact CD1-CD1 4.38Å; L793-Y800 HydrophobicContact CD1-CG 4Å |
| 794 | E | 86.2 | Confident | 81.8 | Confident | 96 Ų | 96 | 69.4 Ų | 69.4 | 45% | 0.449 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -62.5 | -43.1 | 175 | -72.5 | -175.2 | 162 | 0 | 0 | 112.1 | V790 Q791 Y792 Q796 G797 Y800 R801 | V790-E794 WeakPolarHBondContact O-CG 3.37Å; V790-E794 PolarHBondContact O-N 2.76Å; Q791-E794 PolarHBondContact O-N 3.29Å; Y792-E794 VanDerWaalsContact C-N 3.3Å; Y792-E794 PolarHBondContact O-N 3.48Å; E794-Q796 PolarHBondContact O-N 3.5Å; E794-G797 PolarHBondContact O-N 2.6Å; E794-Y800 HydrophobicContact CG-CE1 3.47Å; E794-Y800 VanDerWaalsContact CG-CE1 3.47Å; E794-Y800 PolarHBondContact OE1-OH 2.98Å; E794-R801 IonicContact OE1-NH2 3.33Å |
| 795 | S | 84.1 | Confident | 83.4 | Confident | 64 Ų | 64 | 66.1 Ų | 66.1 | 45% | 0.448 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -61.4 | -31.3 | 178.3 | 80.3 | 0 | 0 | 0 | 0 | 113.4 | Q791 Y792 G797 | Q791-S795 PolarHBondContact O-N 3.15Å; Y792-S795 WeakPolarHBondContact O-CB 3.49Å; Y792-S795 PolarHBondContact O-N 2.87Å; Y792-S795 VanDerWaalsContact O-N 3.12Å; Y792-S795 PolarHBondContact O-OG 3.26Å; S795-G797 VanDerWaalsContact C-N 3.32Å |
| 796 | Q | 83.7 | Confident | 84.6 | Confident | 45 Ų | 45 | 65.1 Ų | 65.1 | 21% | 0.21 | 32% | 0.32 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -87.7 | -1.1 | 178.8 | -61 | -50.7 | -56.6 | 0 | 0 | 112.9 | Y792 L793 E794 I798 | Y792-Q796 HydrophobicContact CD1-CG 4.3Å; Y792-Q796 HydrophobicContact CE1-CG 3.79Å; Y792-Q796 HydrophobicContact CE2-CG 4.17Å; Y792-Q796 WeakPolarHBondContact O-CG 3.46Å; Y792-Q796 PolarHBondContact O-N 2.83Å; Y792-Q796 VanDerWaalsContact O-N 3.15Å; L793-Q796 PolarHBondContact O-N 3.31Å; E794-Q796 PolarHBondContact O-N 3.5Å; Q796-I798 VanDerWaalsContact C-N 3.26Å; Q796-I798 HydrophobicContact CB-CD1 3.83Å; Q796-I798 HydrophobicContact CB-CG1 3.87Å; Q796-I798 PolarHBondContact O-N 3.33Å |
| 797 | G | 82.4 | Confident | 85.5 | Confident | 56 Ų | 56 | 69.4 Ų | 69.4 | 58% | 0.577 | 33% | 0.333 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 61 | 36.1 | -175.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | L793 E794 S795 | L793-G797 PolarHBondContact O-N 3.03Å; E794-G797 PolarHBondContact O-N 2.6Å; S795-G797 VanDerWaalsContact C-N 3.32Å |
| 798 | I | 85.5 | Confident | 86.1 | Confident | 12 Ų | 12 | 72.5 Ų | 72.5 | 6% | 0.062 | 35% | 0.349 | C | S | . | . | trans | -92.7 | 125 | 176.6 | -61.5 | 173.8 | 0 | 0 | 0 | 107.9 | N717 T720 I721 L793 Q796 Y800 | N717-I798 HydrophobicContact CB-CG2 4.35Å; N717-I798 WeakPolarHBondContact OD1-CD1 3.2Å; T720-I798 HydrophobicContact CG2-CD1 4.38Å; I721-I798 HydrophobicContact CD1-CG2 3.64Å; I721-I798 HydrophobicContact CG1-CG2 3.69Å; L793-I798 HydrophobicContact CD2-CB 4.12Å; L793-I798 HydrophobicContact CD2-CD1 4.08Å; L793-I798 HydrophobicContact CD2-CG2 4.01Å; L793-I798 PolarHBondContact O-N 3.41Å; Q796-I798 VanDerWaalsContact C-N 3.26Å; Q796-I798 HydrophobicContact CB-CD1 3.83Å; Q796-I798 HydrophobicContact CB-CG1 3.87Å; Q796-I798 PolarHBondContact O-N 3.33Å; I798-Y800 WeakPolarHBondContact O-CD1 3.24Å; I798-Y800 PolarHBondContact O-N 3.11Å | ||
| 799 | E | 83.4 | Confident | 86.5 | Confident | 132 Ų | 132 | 71.8 Ų | 71.8 | 62% | 0.617 | 34% | 0.343 | S | S | * | . | trans | -75.2 | 120.8 | 174.8 | -168 | 174.6 | -179.8 | 0 | 0 | 109.4 | I721 A805 | I721-E799 WeakPolarHBondContact CD1-O 3.31Å; E799-A805 WeakPolarHBondContact O-CB 3.4Å | ||
| 800 | Y | 83.1 | Confident | 87 | Confident | 29 Ų | 29 | 72 Ų | 72 | 11% | 0.114 | 34% | 0.344 | C | S | . | . | trans | -130.1 | -12 | -176.4 | 68.1 | -86.5 | 0 | 0 | 0 | 113.2 | F725 V790 L793 E794 I798 S802 | F725-Y800 AromaticContact CD2-CD2 3.97Å; F725-Y800 HydrophobicContact CD2-CD2 3.97Å; F725-Y800 AromaticContact CE2-CD2 3.79Å; F725-Y800 HydrophobicContact CE2-CD2 3.79Å; F725-Y800 HydrophobicContact CE2-CE2 4.48Å; V790-Y800 HydrophobicContact CB-CE2 4.48Å; V790-Y800 HydrophobicContact CG1-CD2 4.38Å; V790-Y800 HydrophobicContact CG1-CE1 4.15Å; V790-Y800 HydrophobicContact CG1-CE2 3.46Å; V790-Y800 VanDerWaalsContact CG1-CE2 3.46Å; V790-Y800 WeakPolarHBondContact CG1-OH 3.31Å; V790-Y800 HydrophobicContact CG2-CE2 4.39Å; L793-Y800 HydrophobicContact CB-CD1 3.81Å; L793-Y800 HydrophobicContact CB-CE1 4.42Å; L793-Y800 HydrophobicContact CB-CG 4.28Å; L793-Y800 HydrophobicContact CD1-CD1 4.38Å; L793-Y800 HydrophobicContact CD1-CG 4Å; E794-Y800 HydrophobicContact CG-CE1 3.47Å; E794-Y800 VanDerWaalsContact CG-CE1 3.47Å; E794-Y800 PolarHBondContact OE1-OH 2.98Å; I798-Y800 WeakPolarHBondContact O-CD1 3.24Å; I798-Y800 PolarHBondContact O-N 3.11Å; Y800-S802 VanDerWaalsContact C-N 3.29Å; Y800-S802 PolarHBondContact O-N 3.36Å | ||
| 801 | R | 79.8 | Confident | 87.4 | Confident | 204 Ų | 204 | 75 Ų | 75 | 77% | 0.77 | 36% | 0.359 | S | S | * | . | S | Bend | trans | -66.6 | -29.5 | -173.9 | -70.4 | -173.5 | -177.5 | -172.9 | 2.2 | 113.4 | E794 | E794-R801 IonicContact OE1-NH2 3.33Š|
| 802 | S | 85.2 | Confident | 87.9 | Confident | 48 Ų | 48 | 71 Ų | 71 | 34% | 0.336 | 34% | 0.344 | S | S | . | . | S | Bend | trans | -94.1 | 132 | 175.2 | -175.2 | 0 | 0 | 0 | 0 | 110.2 | Y800 W804 A805 | Y800-S802 VanDerWaalsContact C-N 3.29Å; Y800-S802 PolarHBondContact O-N 3.36Å; S802-W804 PolarHBondContact O-N 2.91Å; S802-W804 WeakPolarHBondContact OG-CB 3.42Å; S802-W804 PolarHBondContact OG-N 3.19Å; S802-A805 VanDerWaalsContact O-CB 3.23Å; S802-A805 WeakPolarHBondContact O-CB 3.46Å; S802-A805 PolarHBondContact O-N 3.4Å |
| 803 | K | 78.9 | Confident | 88.3 | Confident | 195 Ų | 195 | 69 Ų | 69 | 85% | 0.848 | 34% | 0.336 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.2 | -23.3 | 168.1 | -66.8 | -172.8 | 179.2 | -176.9 | 0 | 112.1 | A805 | K803-A805 VanDerWaalsContact C-N 3.28Å; K803-A805 PolarHBondContact O-N 3.46Å |
| 804 | W | 88.1 | Confident | 88.7 | Confident | 190 Ų | 190 | 73.7 Ų | 73.7 | 72% | 0.72 | 36% | 0.357 | S | S | * | . | H | α-helix | trans | -73.1 | -14.9 | 175.1 | -73.8 | 101.4 | 0 | 0 | 0 | 114.2 | S802 I806 W807 L808 | S802-W804 PolarHBondContact O-N 2.91Å; S802-W804 WeakPolarHBondContact OG-CB 3.42Å; S802-W804 PolarHBondContact OG-N 3.19Å; W804-I806 VanDerWaalsContact C-N 3.3Å; W804-I806 PolarHBondContact O-N 3.38Å; W804-W807 HydrophobicContact CE3-CB 4.01Å; W804-W807 HydrophobicContact CE3-CG 4.48Å; W804-W807 HydrophobicContact CZ3-CB 4.4Å; W804-W807 PolarHBondContact O-N 3.03Å; W804-W807 VanDerWaalsContact O-N 3.16Å; W804-L808 WeakPolarHBondContact O-CB 3.33Å; W804-L808 PolarHBondContact O-N 3.28Å |
| 805 | A | 88.9 | Confident | 89.3 | Confident | 5 Ų | 5 | 72.4 Ų | 72.4 | 4% | 0.041 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -61.5 | -38.8 | -176.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | I721 E799 S802 K803 L808 N809 | I721-A805 HydrophobicContact CD1-CB 4.49Å; E799-A805 WeakPolarHBondContact O-CB 3.4Å; S802-A805 VanDerWaalsContact O-CB 3.23Å; S802-A805 WeakPolarHBondContact O-CB 3.46Å; S802-A805 PolarHBondContact O-N 3.4Å; K803-A805 VanDerWaalsContact C-N 3.28Å; K803-A805 PolarHBondContact O-N 3.46Å; A805-L808 PolarHBondContact O-N 2.95Å; A805-N809 PolarHBondContact O-N 2.65Å; A805-N809 PolarHBondContact O-ND2 3.31Å |
| 806 | I | 92.1 | Very high | 89.8 | Confident | 18 Ų | 18 | 70.7 Ų | 70.7 | 9% | 0.092 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -60 | -52.6 | 174.1 | -66.3 | 173.4 | 0 | 0 | 0 | 110.2 | L646 I718 I721 W804 L808 N809 E810 | L646-I806 HydrophobicContact CD1-CG2 3.77Å; L646-I806 HydrophobicContact CD2-CG2 3.94Å; L646-I806 HydrophobicContact CG-CG2 4.33Å; I718-I806 HydrophobicContact CG2-CG2 3.91Å; I721-I806 HydrophobicContact CB-CG1 4.18Å; I721-I806 HydrophobicContact CD1-CG1 4.44Å; I721-I806 HydrophobicContact CG2-CD1 3.89Å; I721-I806 HydrophobicContact CG2-CG1 3.75Å; W804-I806 VanDerWaalsContact C-N 3.3Å; W804-I806 PolarHBondContact O-N 3.38Å; I806-L808 VanDerWaalsContact C-N 3.28Å; I806-L808 PolarHBondContact O-N 3.15Å; I806-N809 PolarHBondContact O-N 3.12Å; I806-N809 VanDerWaalsContact O-N 3.17Å; I806-E810 PolarHBondContact O-N 3.32Å |
| 807 | W | 93.8 | Very high | 90.4 | Very high | 112 Ų | 112 | 68.6 Ų | 68.6 | 42% | 0.424 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -65.6 | -29.3 | -178.6 | -63.4 | 109.5 | 0 | 0 | 0 | 113.5 | F649 W804 E810 L811 | F649-W807 HydrophobicContact CE1-CZ3 4.29Å; W804-W807 HydrophobicContact CE3-CB 4.01Å; W804-W807 HydrophobicContact CE3-CG 4.48Å; W804-W807 HydrophobicContact CZ3-CB 4.4Å; W804-W807 PolarHBondContact O-N 3.03Å; W804-W807 VanDerWaalsContact O-N 3.16Å; W807-E810 HydrophobicContact CE3-CG 4.5Å; W807-E810 PolarHBondContact O-N 2.04Å; W807-L811 VanDerWaalsContact O-CB 3.32Å; W807-L811 WeakPolarHBondContact O-CB 3.43Å; W807-L811 PolarHBondContact O-N 2.84Å |
| 808 | L | 93.8 | Very high | 91.1 | Very high | 105 Ų | 105 | 69.2 Ų | 69.2 | 55% | 0.55 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -67.1 | -41.7 | 174.6 | -175 | 65.6 | 0 | 0 | 0 | 111.3 | W804 A805 I806 L811 G812 | W804-L808 WeakPolarHBondContact O-CB 3.33Å; W804-L808 PolarHBondContact O-N 3.28Å; A805-L808 PolarHBondContact O-N 2.95Å; I806-L808 VanDerWaalsContact C-N 3.28Å; I806-L808 PolarHBondContact O-N 3.15Å; L808-L811 PolarHBondContact O-N 2.97Å; L808-G812 PolarHBondContact O-N 3.19Å |
| 809 | N | 94.4 | Very high | 91.7 | Very high | 20 Ų | 20 | 73.7 Ų | 73.7 | 11% | 0.107 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -66.5 | -41.1 | 174.1 | -72.3 | -77.1 | 0 | 0 | 0 | 111 | Y714 N717 I718 A805 I806 L811 G812 I813 | Y714-N809 HydrophobicContact CD1-CB 4.14Å; Y714-N809 WeakPolarHBondContact CD1-OD1 2.94Å; N717-N809 PolarHBondContact ND2-OD1 3.02Å; I718-N809 HydrophobicContact CD1-CB 3.66Å; I718-N809 HydrophobicContact CG1-CB 3.41Å; I718-N809 VanDerWaalsContact CG1-CB 3.41Å; A805-N809 PolarHBondContact O-N 2.65Å; A805-N809 PolarHBondContact O-ND2 3.31Å; I806-N809 PolarHBondContact O-N 3.12Å; I806-N809 VanDerWaalsContact O-N 3.17Å; N809-L811 PolarHBondContact O-N 3.31Å; N809-G812 WeakPolarHBondContact O-CA 3.4Å; N809-G812 PolarHBondContact O-N 3.24Å; N809-G812 VanDerWaalsContact O-N 3.11Å; N809-I813 PolarHBondContact O-N 3.01Å; N809-I813 VanDerWaalsContact O-N 3.1Å |
| 810 | E | 95.4 | Very high | 92.3 | Very high | 5 Ų | 5 | 68.1 Ų | 68.1 | 2% | 0.023 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -60.3 | -45.7 | 175.6 | -74.3 | -69.3 | 179.4 | 0 | 0 | 111.4 | F649 T650 L653 I718 I806 W807 G812 I813 F814 | F649-E810 HydrophobicContact CD1-CG 4.27Å; F649-E810 HydrophobicContact CE1-CB 4.35Å; F649-E810 HydrophobicContact CE1-CG 4.11Å; T650-E810 WeakPolarHBondContact CA-OE1 3.49Å; T650-E810 WeakPolarHBondContact CB-OE1 3.17Å; T650-E810 PolarHBondContact OG1-OE1 2.83Å; L653-E810 VanDerWaalsContact CD2-O 3.31Å; L653-E810 WeakPolarHBondContact CD2-O 3.37Å; L653-E810 WeakPolarHBondContact CD2-OE2 3.36Å; I718-E810 HydrophobicContact CD1-CB 4.44Å; I718-E810 HydrophobicContact CD1-CG 3.7Å; I718-E810 HydrophobicContact CG1-CG 4.38Å; I806-E810 PolarHBondContact O-N 3.32Å; W807-E810 HydrophobicContact CE3-CG 4.5Å; W807-E810 PolarHBondContact O-N 2.04Å; E810-G812 VanDerWaalsContact C-N 3.26Å; E810-G812 PolarHBondContact O-N 3.26Å; E810-I813 PolarHBondContact O-N 3.48Å; E810-F814 PolarHBondContact O-N 2.75Å |
| 811 | L | 95.7 | Very high | 92.9 | Very high | 98 Ų | 98 | 67.6 Ų | 67.6 | 51% | 0.513 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -59.2 | -39.2 | 174.1 | -178 | 64.6 | 0 | 0 | 0 | 111.3 | W807 L808 N809 I813 F814 V815 | W807-L811 VanDerWaalsContact O-CB 3.32Å; W807-L811 WeakPolarHBondContact O-CB 3.43Å; W807-L811 PolarHBondContact O-N 2.84Å; L808-L811 PolarHBondContact O-N 2.97Å; N809-L811 PolarHBondContact O-N 3.31Å; L811-I813 PolarHBondContact O-N 3.27Å; L811-F814 PolarHBondContact O-N 3.1Å; L811-V815 HydrophobicContact CD1-CG2 4.16Å; L811-V815 HydrophobicContact CG-CG2 4.27Å; L811-V815 WeakPolarHBondContact O-CB 3.4Å; L811-V815 VanDerWaalsContact O-CG2 3.28Å; L811-V815 WeakPolarHBondContact O-CG2 3.47Å; L811-V815 PolarHBondContact O-N 2.85Å |
| 812 | G | 95.6 | Very high | 93.7 | Very high | 15 Ų | 15 | 60.9 Ų | 60.9 | 16% | 0.155 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -56.2 | -48.8 | 174.4 | 0 | 0 | 0 | 0 | 0 | 112.7 | L808 N809 E810 V815 I816 | L808-G812 PolarHBondContact O-N 3.19Å; N809-G812 WeakPolarHBondContact O-CA 3.4Å; N809-G812 PolarHBondContact O-N 3.24Å; N809-G812 VanDerWaalsContact O-N 3.11Å; E810-G812 VanDerWaalsContact C-N 3.26Å; E810-G812 PolarHBondContact O-N 3.26Å; G812-V815 PolarHBondContact O-N 3.06Å; G812-I816 WeakPolarHBondContact O-CG1 3.49Å; G812-I816 PolarHBondContact O-N 3.21Å; G812-I816 VanDerWaalsContact O-N 3.16Å |
| 813 | I | 96.7 | Very high | 94.2 | Very high | 0 Ų | 0 | 61.4 Ų | 61.4 | 0% | 0 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -63 | -45.1 | 176.8 | -56.8 | 171.5 | 0 | 0 | 0 | 110.3 | L653 Y714 A715 I718 N809 E810 L811 V815 I816 A817 | L653-I813 HydrophobicContact CD2-CB 3.87Å; L653-I813 HydrophobicContact CD2-CG2 4.04Å; L653-I813 HydrophobicContact CG-CB 4.18Å; L653-I813 HydrophobicContact CG-CG2 3.76Å; Y714-I813 VanDerWaalsContact CB-CG1 3.5Å; Y714-I813 HydrophobicContact CD2-CG1 4.5Å; Y714-I813 HydrophobicContact CG-CG1 4.27Å; A715-I813 HydrophobicContact CB-CD1 4.08Å; I718-I813 HydrophobicContact CD1-CD1 3.94Å; N809-I813 PolarHBondContact O-N 3.01Å; N809-I813 VanDerWaalsContact O-N 3.1Å; E810-I813 PolarHBondContact O-N 3.48Å; L811-I813 PolarHBondContact O-N 3.27Å; I813-V815 PolarHBondContact O-N 2.8Å; I813-I816 PolarHBondContact O-N 3.22Å; I813-A817 PolarHBondContact O-N 3.34Å |
| 814 | F | 96.8 | Very high | 95 | Very high | 99 Ų | 99 | 52.1 Ų | 52.1 | 43% | 0.434 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -61.1 | -44.7 | 179.8 | -177.8 | -103.5 | 0 | 0 | 0 | 112.5 | L653 E810 L811 I816 A817 I818 | L653-F814 HydrophobicContact CD1-CB 4.31Å; L653-F814 HydrophobicContact CD1-CD2 4.04Å; L653-F814 HydrophobicContact CD2-CB 4.16Å; E810-F814 PolarHBondContact O-N 2.75Å; L811-F814 PolarHBondContact O-N 3.1Å; F814-I816 PolarHBondContact O-N 2.8Å; F814-A817 WeakPolarHBondContact O-CB 3.08Å; F814-A817 PolarHBondContact O-N 2.97Å; F814-I818 HydrophobicContact CD1-CG1 4.22Å; F814-I818 HydrophobicContact CE1-CD1 4.37Å; F814-I818 HydrophobicContact CE1-CG1 3.79Å; F814-I818 HydrophobicContact CE2-CD1 4.17Å; F814-I818 HydrophobicContact CE2-CG1 4.22Å; F814-I818 HydrophobicContact CZ-CD1 3.87Å; F814-I818 HydrophobicContact CZ-CG1 3.79Å; F814-I818 WeakPolarHBondContact O-CG1 3.48Å; F814-I818 PolarHBondContact O-N 3.25Å |
| 815 | V | 97.2 | Very high | 95.4 | Very high | 68 Ų | 68 | 46.6 Ų | 46.6 | 41% | 0.412 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -62.2 | -44 | 178.8 | 169 | 0 | 0 | 0 | 0 | 111 | L811 G812 I813 A817 I818 L819 | L811-V815 HydrophobicContact CD1-CG2 4.16Å; L811-V815 HydrophobicContact CG-CG2 4.27Å; L811-V815 WeakPolarHBondContact O-CB 3.4Å; L811-V815 VanDerWaalsContact O-CG2 3.28Å; L811-V815 WeakPolarHBondContact O-CG2 3.47Å; L811-V815 PolarHBondContact O-N 2.85Å; G812-V815 PolarHBondContact O-N 3.06Å; I813-V815 PolarHBondContact O-N 2.8Å; V815-A817 VanDerWaalsContact C-N 3.3Å; V815-A817 PolarHBondContact O-N 3.32Å; V815-I818 PolarHBondContact O-N 3.28Å; V815-L819 HydrophobicContact CG1-CD1 3.98Å; V815-L819 HydrophobicContact CG1-CG 4.41Å; V815-L819 WeakPolarHBondContact O-CG 3.37Å; V815-L819 PolarHBondContact O-N 3.26Å |
| 816 | I | 96.5 | Very high | 95.7 | Very high | 29 Ų | 29 | 50.7 Ų | 50.7 | 15% | 0.149 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -61.3 | -42.1 | 176.3 | -66.8 | 167 | 0 | 0 | 0 | 110.6 | I661 I711 Y714 G812 I813 F814 I818 L819 A820 | I661-I816 HydrophobicContact CD1-CG2 4.32Å; I711-I816 HydrophobicContact CG2-CB 4.1Å; I711-I816 HydrophobicContact CG2-CD1 3.84Å; I711-I816 HydrophobicContact CG2-CG2 3.7Å; Y714-I816 HydrophobicContact CD2-CD1 4.27Å; Y714-I816 HydrophobicContact CE2-CD1 3.76Å; G812-I816 WeakPolarHBondContact O-CG1 3.49Å; G812-I816 PolarHBondContact O-N 3.21Å; G812-I816 VanDerWaalsContact O-N 3.16Å; I813-I816 PolarHBondContact O-N 3.22Å; F814-I816 PolarHBondContact O-N 2.8Å; I816-I818 PolarHBondContact O-N 2.93Å; I816-L819 PolarHBondContact O-N 2.98Å; I816-A820 WeakPolarHBondContact O-CB 3.45Å; I816-A820 PolarHBondContact O-N 3.12Å |
| 817 | A | 96.2 | Very high | 95.7 | Very high | 0 Ų | 0 | 53 Ų | 53 | 0% | 0 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -59.4 | -47.9 | 176.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | F656 A660 I813 F814 V815 A820 L821 | F656-A817 HydrophobicContact CD1-CB 4Å; F656-A817 HydrophobicContact CE1-CB 4.04Å; A660-A817 HydrophobicContact CB-CB 4.38Å; I813-A817 PolarHBondContact O-N 3.34Å; F814-A817 WeakPolarHBondContact O-CB 3.08Å; F814-A817 PolarHBondContact O-N 2.97Å; V815-A817 VanDerWaalsContact C-N 3.3Å; V815-A817 PolarHBondContact O-N 3.32Å; A817-A820 PolarHBondContact O-N 3.48Å; A817-L821 WeakPolarHBondContact O-CG 3.04Å; A817-L821 PolarHBondContact O-N 3.24Å |
| 818 | I | 96.7 | Very high | 95.6 | Very high | 70 Ų | 70 | 47.9 Ų | 47.9 | 36% | 0.359 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -63.7 | -43.2 | 179.3 | -64.8 | -59.2 | 0 | 0 | 0 | 111.5 | F814 V815 I816 A820 L821 C822 | F814-I818 HydrophobicContact CD1-CG1 4.22Å; F814-I818 HydrophobicContact CE1-CD1 4.37Å; F814-I818 HydrophobicContact CE1-CG1 3.79Å; F814-I818 HydrophobicContact CE2-CD1 4.17Å; F814-I818 HydrophobicContact CE2-CG1 4.22Å; F814-I818 HydrophobicContact CZ-CD1 3.87Å; F814-I818 HydrophobicContact CZ-CG1 3.79Å; F814-I818 WeakPolarHBondContact O-CG1 3.48Å; F814-I818 PolarHBondContact O-N 3.25Å; V815-I818 PolarHBondContact O-N 3.28Å; I816-I818 PolarHBondContact O-N 2.93Å; I818-A820 PolarHBondContact O-N 3.43Å; I818-L821 PolarHBondContact O-N 2.98Å; I818-C822 WeakPolarHBondContact O-CB 3.3Å; I818-C822 PolarHBondContact O-N 3.38Å; I818-C822 PolarHBondContact O-SG 2.73Å |
| 819 | L | 96.9 | Very high | 95.4 | Very high | 106 Ų | 106 | 50.8 Ų | 50.8 | 56% | 0.555 | 26% | 0.258 | S | S | * | . | H | α-helix | trans | -60.3 | -45.4 | 176.3 | -71.6 | 172.6 | 0 | 0 | 0 | 111.4 | V815 I816 L821 C822 V823 | V815-L819 HydrophobicContact CG1-CD1 3.98Å; V815-L819 HydrophobicContact CG1-CG 4.41Å; V815-L819 WeakPolarHBondContact O-CG 3.37Å; V815-L819 PolarHBondContact O-N 3.26Å; I816-L819 PolarHBondContact O-N 2.98Å; L819-L821 PolarHBondContact O-N 2.85Å; L819-C822 WeakPolarHBondContact O-CB 3.24Å; L819-C822 PolarHBondContact O-N 3.25Å; L819-V823 WeakPolarHBondContact O-CG2 3.47Å; L819-V823 PolarHBondContact O-N 3.22Å |
| 820 | A | 96.7 | Very high | 95.1 | Very high | 14 Ų | 14 | 55.7 Ų | 55.7 | 12% | 0.116 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -61.6 | -42.6 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | A660 I661 A664 I816 A817 I818 V823 A824 | A660-A820 HydrophobicContact CB-CB 4.03Å; I661-A820 HydrophobicContact CG1-CB 4.05Å; A664-A820 HydrophobicContact CB-CB 4.41Å; I816-A820 WeakPolarHBondContact O-CB 3.45Å; I816-A820 PolarHBondContact O-N 3.12Å; A817-A820 PolarHBondContact O-N 3.48Å; I818-A820 PolarHBondContact O-N 3.43Å; A820-V823 PolarHBondContact O-N 3.01Å; A820-A824 WeakPolarHBondContact O-CB 3.49Å; A820-A824 PolarHBondContact O-N 2.73Å |
| 821 | L | 95.9 | Very high | 94.6 | Very high | 19 Ų | 19 | 57.7 Ų | 57.7 | 10% | 0.099 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -65.4 | -38.3 | 175.3 | -68.5 | 178.8 | 0 | 0 | 0 | 112.6 | F608 I612 F656 A660 F663 A817 I818 L819 A824 Y825 | F608-L821 HydrophobicContact CE1-CB 4.27Å; F608-L821 HydrophobicContact CE1-CD2 4.23Å; F608-L821 HydrophobicContact CZ-CB 4.19Å; F608-L821 HydrophobicContact CZ-CD2 3.75Å; F608-L821 WeakPolarHBondContact CZ-O 3.4Å; I612-L821 HydrophobicContact CD1-CD1 4.19Å; I612-L821 HydrophobicContact CD1-CD2 3.89Å; I612-L821 HydrophobicContact CG1-CD2 4.46Å; F656-L821 HydrophobicContact CE1-CD1 4.12Å; F656-L821 HydrophobicContact CZ-CD1 3.7Å; A660-L821 HydrophobicContact CB-CD1 4.49Å; A660-L821 HydrophobicContact CB-CD2 3.66Å; A660-L821 HydrophobicContact CB-CG 3.7Å; F663-L821 HydrophobicContact CD2-CD2 4.5Å; A817-L821 WeakPolarHBondContact O-CG 3.04Å; A817-L821 PolarHBondContact O-N 3.24Å; I818-L821 PolarHBondContact O-N 2.98Å; L819-L821 PolarHBondContact O-N 2.85Å; L821-A824 PolarHBondContact O-N 3.17Å; L821-Y825 WeakPolarHBondContact O-CB 3.44Å; L821-Y825 PolarHBondContact O-N 3.25Å |
| 822 | C | 96.7 | Very high | 93.7 | Very high | 63 Ų | 63 | 61.8 Ų | 61.8 | 43% | 0.426 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -61.3 | -45.9 | 174.2 | -77.2 | 0 | 0 | 0 | 0 | 111.1 | I818 L819 Y825 I826 | I818-C822 WeakPolarHBondContact O-CB 3.3Å; I818-C822 PolarHBondContact O-N 3.38Å; I818-C822 PolarHBondContact O-SG 2.73Å; L819-C822 WeakPolarHBondContact O-CB 3.24Å; L819-C822 PolarHBondContact O-N 3.25Å; C822-Y825 PolarHBondContact O-N 3.22Å; C822-I826 WeakPolarHBondContact O-CB 3.36Å; C822-I826 WeakPolarHBondContact O-CD1 3.33Å; C822-I826 WeakPolarHBondContact O-CG1 3.11Å; C822-I826 PolarHBondContact O-N 3.4Å |
| 823 | V | 96 | Very high | 92.4 | Very high | 59 Ų | 59 | 65.8 Ų | 65.8 | 36% | 0.358 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -58.9 | -49.7 | 174.8 | 172 | 0 | 0 | 0 | 0 | 110.5 | A664 M668 L819 A820 Y825 I826 H827 | A664-V823 HydrophobicContact CB-CG1 4.31Å; M668-V823 HydrophobicContact SD-CG1 4.12Å; L819-V823 WeakPolarHBondContact O-CG2 3.47Å; L819-V823 PolarHBondContact O-N 3.22Å; A820-V823 PolarHBondContact O-N 3.01Å; V823-Y825 VanDerWaalsContact C-N 3.33Å; V823-Y825 PolarHBondContact O-N 3.35Å; V823-I826 PolarHBondContact O-N 3.45Å; V823-H827 PolarHBondContact O-CD2 3.29Å; V823-H827 PolarHBondContact O-N 3.49Å |
| 824 | A | 95 | Very high | 91.1 | Very high | 0 Ų | 0 | 69.3 Ų | 69.3 | 0% | 0 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -56.4 | -46.8 | 177.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | F608 F663 A664 A667 A820 L821 H827 L828 | F608-A824 HydrophobicContact CE2-CB 3.78Å; F608-A824 HydrophobicContact CZ-CB 3.88Å; F663-A824 HydrophobicContact CB-CB 4.46Å; A664-A824 HydrophobicContact CB-CB 4.31Å; A667-A824 HydrophobicContact CB-CB 4.32Å; A820-A824 WeakPolarHBondContact O-CB 3.49Å; A820-A824 PolarHBondContact O-N 2.73Å; L821-A824 PolarHBondContact O-N 3.17Å; A824-H827 PolarHBondContact O-N 2.98Å; A824-L828 WeakPolarHBondContact O-CB 3.29Å; A824-L828 WeakPolarHBondContact O-CD1 3.35Å; A824-L828 PolarHBondContact O-N 2.94Å |
| 825 | Y | 95.7 | Very high | 89.4 | Confident | 74 Ų | 74 | 71.7 Ų | 71.7 | 29% | 0.29 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -66.5 | -42 | 179.8 | 178.8 | -105.8 | 0 | 0 | 0 | 112.9 | I604 F608 L821 C822 V823 L828 R829 | I604-Y825 HydrophobicContact CB-CE2 4.45Å; I604-Y825 HydrophobicContact CG2-CD2 4.34Å; I604-Y825 HydrophobicContact CG2-CE2 3.93Å; F608-Y825 HydrophobicContact CB-CD2 4.26Å; F608-Y825 HydrophobicContact CD1-CD2 4.14Å; F608-Y825 HydrophobicContact CG-CD2 4.21Å; L821-Y825 WeakPolarHBondContact O-CB 3.44Å; L821-Y825 PolarHBondContact O-N 3.25Å; C822-Y825 PolarHBondContact O-N 3.22Å; V823-Y825 VanDerWaalsContact C-N 3.33Å; V823-Y825 PolarHBondContact O-N 3.35Å; Y825-L828 PolarHBondContact O-N 3.07Å; Y825-R829 WeakPolarHBondContact O-CB 3.1Å; Y825-R829 PolarHBondContact O-N 3.41Å |
| 826 | I | 95.5 | Very high | 89 | Confident | 90 Ų | 90 | 71.9 Ų | 71.9 | 46% | 0.462 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -61.6 | -48.2 | 176.5 | -71.2 | 165.3 | 0 | 0 | 0 | 109.6 | C822 V823 L828 R829 L830 | C822-I826 WeakPolarHBondContact O-CB 3.36Å; C822-I826 WeakPolarHBondContact O-CD1 3.33Å; C822-I826 WeakPolarHBondContact O-CG1 3.11Å; C822-I826 PolarHBondContact O-N 3.4Å; V823-I826 PolarHBondContact O-N 3.45Å; I826-L828 PolarHBondContact O-N 2.92Å; I826-R829 WeakPolarHBondContact O-CB 3.35Å; I826-R829 PolarHBondContact O-N 3.2Å; I826-L830 HydrophobicContact CG2-CD1 3.7Å; I826-L830 HydrophobicContact CG2-CG 4.2Å; I826-L830 VanDerWaalsContact O-CG 3.3Å; I826-L830 WeakPolarHBondContact O-CG 3.32Å; I826-L830 PolarHBondContact O-N 3.29Å |
| 827 | H | 92.8 | Very high | 88.6 | Confident | 67 Ų | 67 | 74.2 Ų | 74.2 | 31% | 0.31 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -59.3 | -47.4 | 177.1 | -86.9 | -82.1 | 0 | 0 | 0 | 111.9 | A667 V823 A824 R829 L830 I831 | A667-H827 HydrophobicContact CB-CB 4.19Å; V823-H827 PolarHBondContact O-CD2 3.29Å; V823-H827 PolarHBondContact O-N 3.49Å; A824-H827 PolarHBondContact O-N 2.98Å; H827-R829 PolarHBondContact O-N 2.98Å; H827-L830 PolarHBondContact O-N 3.47Å; H827-L830 VanDerWaalsContact O-N 3.09Å; H827-I831 WeakPolarHBondContact O-CG1 3.35Å; H827-I831 PolarHBondContact O-N 3.13Å; H827-I831 VanDerWaalsContact O-N 3.12Å |
| 828 | L | 90.7 | Very high | 88.2 | Confident | 5 Ų | 5 | 78.3 Ų | 78.3 | 3% | 0.026 | 37% | 0.368 | C | S | . | . | H | α-helix | trans | -56.3 | -35.5 | 174.2 | -85.7 | 156.1 | 0 | 0 | 0 | 112.9 | F586 F593 I604 F608 A667 A824 Y825 I826 I831 | F586-L828 HydrophobicContact CD1-CD1 4.44Å; F586-L828 HydrophobicContact CD1-CD2 4.37Å; F586-L828 HydrophobicContact CE1-CD1 4.02Å; F586-L828 HydrophobicContact CE2-CD1 4.29Å; F586-L828 HydrophobicContact CZ-CD1 3.95Å; F593-L828 HydrophobicContact CD1-CD2 4.22Å; F593-L828 HydrophobicContact CE1-CD2 3.7Å; F593-L828 HydrophobicContact CE2-CD2 4.38Å; F593-L828 HydrophobicContact CZ-CD2 3.79Å; I604-L828 HydrophobicContact CG2-CB 4.16Å; F608-L828 HydrophobicContact CD2-CD1 3.44Å; F608-L828 VanDerWaalsContact CD2-CD1 3.44Å; F608-L828 HydrophobicContact CE2-CD1 3.88Å; F608-L828 HydrophobicContact CG-CD1 4.42Å; A667-L828 HydrophobicContact CB-CG 4.34Å; A824-L828 WeakPolarHBondContact O-CB 3.29Å; A824-L828 WeakPolarHBondContact O-CD1 3.35Å; A824-L828 PolarHBondContact O-N 2.94Å; Y825-L828 PolarHBondContact O-N 3.07Å; I826-L828 PolarHBondContact O-N 2.92Å; L828-I831 HydrophobicContact CD2-CD1 4.22Å |
| 829 | R | 90.3 | Very high | 87.7 | Confident | 166 Ų | 166 | 78.8 Ų | 78.8 | 63% | 0.626 | 37% | 0.368 | S | S | * | . | H | α-helix | trans | -75.3 | -32.4 | 177.9 | -168.3 | -179.3 | -177.6 | -167 | 0.7 | 113 | I604 Y825 I826 H827 I831 | I604-R829 HydrophobicContact CD1-CG 4.44Å; Y825-R829 WeakPolarHBondContact O-CB 3.1Å; Y825-R829 PolarHBondContact O-N 3.41Å; I826-R829 WeakPolarHBondContact O-CB 3.35Å; I826-R829 PolarHBondContact O-N 3.2Å; H827-R829 PolarHBondContact O-N 2.98Å; R829-I831 VanDerWaalsContact C-N 3.34Å |
| 830 | L | 89.3 | Confident | 87.1 | Confident | 123 Ų | 123 | 77.1 Ų | 77.1 | 64% | 0.644 | 36% | 0.357 | S | S | * | . | H | α-helix | trans | -79.4 | -14.4 | 179.2 | -69 | 175 | 0 | 0 | 0 | 113.2 | I826 H827 K832 | I826-L830 HydrophobicContact CG2-CD1 3.7Å; I826-L830 HydrophobicContact CG2-CG 4.2Å; I826-L830 VanDerWaalsContact O-CG 3.3Å; I826-L830 WeakPolarHBondContact O-CG 3.32Å; I826-L830 PolarHBondContact O-N 3.29Å; H827-L830 PolarHBondContact O-N 3.47Å; H827-L830 VanDerWaalsContact O-N 3.09Å; L830-K832 PolarHBondContact O-N 3.45Å; L830-K832 VanDerWaalsContact O-N 3.11Å |
| 831 | I | 84.8 | Confident | 86.5 | Confident | 46 Ų | 46 | 81.3 Ų | 81.3 | 24% | 0.236 | 37% | 0.373 | C | S | . | . | S | Bend | trans | -52.2 | 122.2 | 173.7 | -67.5 | 174 | 0 | 0 | 0 | 109.3 | F593 V594 H827 L828 R829 R833 | F593-I831 HydrophobicContact CE1-CD1 4.2Å; V594-I831 HydrophobicContact CG2-CG2 3.96Å; H827-I831 WeakPolarHBondContact O-CG1 3.35Å; H827-I831 PolarHBondContact O-N 3.13Å; H827-I831 VanDerWaalsContact O-N 3.12Å; L828-I831 HydrophobicContact CD2-CD1 4.22Å; R829-I831 VanDerWaalsContact C-N 3.34Å; I831-R833 PolarHBondContact O-N 2.88Å; I831-R833 VanDerWaalsContact O-N 3.11Å |
| 832 | K | 75.3 | Confident | 85.8 | Confident | 184 Ų | 184 | 85.7 Ų | 85.7 | 80% | 0.8 | 39% | 0.392 | S | S | * | . | trans | -59.8 | 117.5 | -179.6 | -69.6 | -178.9 | -179.1 | 175.1 | 0 | 109 | L830 Y834 | L830-K832 PolarHBondContact O-N 3.45Å; L830-K832 VanDerWaalsContact O-N 3.11Å; K832-Y834 VanDerWaalsContact C-N 3.26Å | ||
| 833 | R | 69.6 | Low | 85 | Confident | 99 Ų | 99 | 87.5 Ų | 87.5 | 37% | 0.374 | 39% | 0.39 | S | S | . | . | S | Bend | trans | -78.8 | -12.6 | 176.9 | -61.6 | -173.9 | -174.9 | -173.3 | 1.5 | 113.6 | I604 I831 | I604-R833 VanDerWaalsContact CD1-NH2 3.34Å; I831-R833 PolarHBondContact O-N 2.88Å; I831-R833 VanDerWaalsContact O-N 3.11Å |
| 834 | Y | 67.7 | Low | 84.1 | Confident | 74 Ų | 74 | 89.8 Ų | 89.8 | 29% | 0.29 | 39% | 0.393 | S | S | . | . | trans | -105 | 137.8 | 177.5 | -60.2 | -71.9 | 0 | 0 | 0 | 107.8 | R82 N84 R105 K832 | R82-Y834 WeakPolarHBondContact O-CD1 3.46Å; N84-Y834 HydrophobicContact CB-CG 4.47Å; R105-Y834 VanDerWaalsContact NH1-CE1 3.25Å; R105-Y834 PolarHBondContact NH2-OH 3.35Å; K832-Y834 VanDerWaalsContact C-N 3.26Å | ||
| 835 | K | 62.3 | Low | 83.1 | Confident | 150 Ų | 150 | 98 Ų | 98 | 65% | 0.652 | 43% | 0.428 | S | S | * | . | trans | -66.4 | 0 | 168 | -83 | -177.3 | 171.7 | -177.2 | 0 | 110.8 | D77 K83 | D77-K835 VanDerWaalsContact OD2-CD 3.31Å; D77-K835 WeakPolarHBondContact OD2-CD 3.31Å; K83-K835 WeakPolarHBondContact CD-O 3.49Å; K83-K835 WeakPolarHBondContact CE-O 3.31Å; K83-K835 PolarHBondContact NZ-O 3.12Å; K83-K835 PolarHBondContact NZ-OXT 3.2Å |
Retrieved 835 of 835 residues in 1380.4 ms
(Link to these results)