| 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 | 34.5 | Very low | 43.6 | Very low | 245 Ų | 245 | 108.7 Ų | 108.7 | 100% | 1.207 | 60% | 0.598 | S | S | * | * | 0 | 102.3 | 0 | -66.2 | -170.9 | -85 | 0 | 0 | 106.7 | E3 | M1-E3 PolarHBondContact O-N 3.44Š| |||
| 2 | A | 35.6 | Very low | 43.8 | Very low | 102 Ų | 102 | 107.3 Ų | 107.3 | 84% | 0.843 | 60% | 0.597 | S | S | * | * | trans | -70.2 | 121.2 | -177.9 | 0 | 0 | 0 | 0 | 0 | 109.1 | K4 | A2-K4 PolarHBondContact O-N 3.43Å; A2-K4 VanDerWaalsContact O-N 3.16Å | ||
| 3 | E | 40.1 | Very low | 44.3 | Very low | 188 Ų | 188 | 116.4 Ų | 116.4 | 88% | 0.879 | 63% | 0.627 | S | S | * | * | trans | -64.8 | 110.6 | 178.3 | -165.7 | 174 | 146.5 | 0 | 0 | 109.1 | M1 V5 | M1-E3 PolarHBondContact O-N 3.44Å; E3-V5 PolarHBondContact O-N 3.45Å | ||
| 4 | K | 45.4 | Very low | 44.6 | Very low | 117 Ų | 117 | 122.6 Ų | 122.6 | 51% | 0.509 | 65% | 0.646 | S | S | . | * | trans | -68.3 | 113.7 | -179.2 | -102.8 | -178.7 | 166.6 | -173 | 0 | 109.6 | A2 N6 Y22 | A2-K4 PolarHBondContact O-N 3.43Å; A2-K4 VanDerWaalsContact O-N 3.16Å; K4-N6 PolarHBondContact O-N 3.5Å; K4-Y22 HydrophobicContact CB-CD1 4.44Å; K4-Y22 HydrophobicContact CB-CD2 3.62Å; K4-Y22 HydrophobicContact CB-CE2 3.76Å; K4-Y22 HydrophobicContact CB-CG 4.01Å; K4-Y22 HydrophobicContact CD-CD1 3.7Å; K4-Y22 HydrophobicContact CD-CD2 4.27Å; K4-Y22 HydrophobicContact CD-CE1 3.39Å; K4-Y22 HydrophobicContact CD-CE2 4.05Å; K4-Y22 HydrophobicContact CD-CG 4.15Å; K4-Y22 HydrophobicContact CG-CD1 4.3Å; K4-Y22 HydrophobicContact CG-CD2 3.96Å; K4-Y22 HydrophobicContact CG-CE1 3.94Å; K4-Y22 HydrophobicContact CG-CE2 3.61Å; K4-Y22 HydrophobicContact CG-CG 4.32Å | ||
| 5 | V | 43.9 | Very low | 44.7 | Very low | 117 Ų | 117 | 119.8 Ų | 119.8 | 71% | 0.709 | 63% | 0.63 | S | S | * | * | trans | -74.4 | 115.9 | -173.1 | -179.9 | 0 | 0 | 0 | 0 | 111.9 | E3 N7 Y22 | E3-V5 PolarHBondContact O-N 3.45Å; V5-N7 PolarHBondContact O-N 3.3Å; V5-Y22 WeakPolarHBondContact O-CD2 3.34Å | ||
| 6 | N | 46 | Very low | 44.7 | Very low | 85 Ų | 85 | 120.7 Ų | 120.7 | 46% | 0.455 | 65% | 0.645 | S | S | . | * | trans | -54.5 | 124.7 | 179.4 | -65.5 | -45.6 | 0 | 0 | 0 | 112.4 | K4 P19 F21 Y22 | K4-N6 PolarHBondContact O-N 3.5Å; N6-P19 HydrophobicContact CB-CB 4.35Å; N6-P19 WeakPolarHBondContact CB-O 3.36Å; N6-F21 CarbonylContact C-O 3.42Å; N6-Y22 PolarHBondContact OD1-N 3.41Å | ||
| 7 | N | 55 | Low | 44.5 | Very low | 115 Ų | 115 | 120.6 Ų | 120.6 | 62% | 0.615 | 64% | 0.644 | S | S | * | * | trans | -116.9 | 2.3 | -171.7 | -165.3 | 37.4 | 0 | 0 | 0 | 113.4 | V5 F21 | V5-N7 PolarHBondContact O-N 3.3Å; N7-F21 PolarHBondContact N-O 3.25Å | ||
| 8 | F | 48.9 | Very low | 44.3 | Very low | 21 Ų | 21 | 124.3 Ų | 124.3 | 9% | 0.092 | 65% | 0.654 | C | S | . | * | B | Isolated β-bridge | trans | -136 | 135.9 | -170 | -141.2 | -89.4 | 0 | 0 | 0 | 113.7 | P19 C20 F21 Q23 Y41 W44 | F8-P19 CarbonylContact O-C 3.55Å; F8-P19 WeakPolarHBondContact O-CA 3.48Å; F8-C20 PolarHBondContact O-N 3.05Å; F8-F21 HydrophobicContact CB-CB 4.39Å; F8-F21 WeakPolarHBondContact CB-O 3.49Å; F8-F21 PolarHBondContact N-O 3.02Å; F8-F21 PolarHBondContact O-N 3.37Å; F8-F21 VanDerWaalsContact O-N 3.11Å; F8-Q23 HydrophobicContact CB-CB 4.11Å; F8-Q23 HydrophobicContact CD2-CB 4.11Å; F8-Q23 HydrophobicContact CG-CB 4.16Å; F8-Y41 HydrophobicContact CE1-CE2 4.36Å; F8-Y41 HydrophobicContact CE2-CE2 4.03Å; F8-Y41 AromaticContact CE2-CZ 3.89Å; F8-Y41 WeakPolarHBondContact CE2-OH 3.43Å; F8-Y41 AromaticContact CZ-CE2 3.5Å; F8-Y41 HydrophobicContact CZ-CE2 3.5Å; F8-Y41 AromaticContact CZ-CZ 3.69Å; F8-Y41 WeakPolarHBondContact CZ-OH 3.49Å; F8-W44 HydrophobicContact CE1-CH2 4.38Å; F8-W44 HydrophobicContact CE1-CZ3 4.15Å; F8-W44 HydrophobicContact CZ-CZ3 4.28Å |
| 9 | P | 43.2 | Very low | 44.5 | Very low | 49 Ų | 49 | 121.1 Ų | 121.1 | 32% | 0.318 | 64% | 0.641 | S | S | . | * | S | Bend | cis | -77.3 | 148.7 | -7.9 | 26.6 | -28.1 | 0 | 0 | 0 | 113 | L11 | P9-L11 HydrophobicContact CB-CG 4.29Å; P9-L11 HydrophobicContact CG-CD1 3.87Å; P9-L11 HydrophobicContact CG-CD2 4.38Å; P9-L11 HydrophobicContact CG-CG 3.87Å; P9-L11 PolarHBondContact O-N 3.16Å |
| 10 | P | 44.2 | Very low | 44.7 | Very low | 102 Ų | 102 | 120.5 Ų | 120.5 | 66% | 0.662 | 65% | 0.646 | S | S | * | * | trans | -71.8 | 85.1 | 168.4 | 30.2 | -32.6 | 0 | 0 | 0 | 108.6 | ||||
| 11 | L | 42.7 | Very low | 44.6 | Very low | 55 Ų | 55 | 119.3 Ų | 119.3 | 29% | 0.288 | 64% | 0.635 | S | S | . | * | trans | -79.2 | 139.6 | 174.5 | -70.1 | 158 | 0 | 0 | 0 | 109 | P9 K13 I15 L17 | P9-L11 HydrophobicContact CB-CG 4.29Å; P9-L11 HydrophobicContact CG-CD1 3.87Å; P9-L11 HydrophobicContact CG-CD2 4.38Å; P9-L11 HydrophobicContact CG-CG 3.87Å; P9-L11 PolarHBondContact O-N 3.16Å; L11-K13 PolarHBondContact O-N 3.42Å; L11-I15 HydrophobicContact CD2-CB 4.42Å; L11-I15 HydrophobicContact CD2-CD1 3.94Å; L11-I15 HydrophobicContact CD2-CG2 4.37Å; L11-L17 HydrophobicContact CD1-CB 3.46Å; L11-L17 VanDerWaalsContact CD1-CB 3.46Å; L11-L17 WeakPolarHBondContact CD1-O 3.39Å | ||
| 12 | P | 46.3 | Very low | 44.9 | Very low | 91 Ų | 91 | 111 Ų | 111 | 59% | 0.591 | 59% | 0.591 | S | S | * | * | trans | -53.3 | 139.9 | 161.5 | -19.4 | 30.5 | 0 | 0 | 0 | 109.2 | F14 I15 | P12-F14 PolarHBondContact O-N 2.97Å; P12-I15 PolarHBondContact O-N 3.48Å | ||
| 13 | K | 50.6 | Low | 45.4 | Very low | 226 Ų | 226 | 106.9 Ų | 106.9 | 98% | 0.983 | 55% | 0.554 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -55.6 | -1.2 | -175.3 | -69.4 | -177.3 | 178.2 | 179.7 | 0 | 115.9 | L11 | L11-K13 PolarHBondContact O-N 3.42Š|
| 14 | F | 47.9 | Very low | 45.6 | Very low | 203 Ų | 203 | 100.6 Ų | 100.6 | 89% | 0.89 | 53% | 0.526 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -92.9 | -9.3 | -177.5 | -144.4 | -96 | 0 | 0 | 0 | 113.9 | P12 | P12-F14 PolarHBondContact O-N 2.97Š|
| 15 | I | 46.9 | Very low | 45.6 | Very low | 81 Ų | 81 | 96.5 Ų | 96.5 | 42% | 0.415 | 51% | 0.509 | S | S | . | . | S | Bend | trans | -102.9 | 123.6 | 178.3 | -59.4 | 174.5 | 0 | 0 | 0 | 109.1 | L11 P12 L17 | L11-I15 HydrophobicContact CD2-CB 4.42Å; L11-I15 HydrophobicContact CD2-CD1 3.94Å; L11-I15 HydrophobicContact CD2-CG2 4.37Å; P12-I15 PolarHBondContact O-N 3.48Å; I15-L17 HydrophobicContact CG2-CB 4.05Å; I15-L17 HydrophobicContact CG2-CD1 3.9Å; I15-L17 HydrophobicContact CG2-CG 4.12Å; I15-L17 PolarHBondContact O-N 2.97Å |
| 16 | P | 43.7 | Very low | 45.7 | Very low | 134 Ų | 134 | 98.2 Ų | 98.2 | 87% | 0.87 | 51% | 0.509 | S | S | * | . | trans | -78.7 | 46.6 | -179.2 | 33.9 | -35.8 | 0 | 0 | 0 | 112.3 | ||||
| 17 | L | 41.2 | Very low | 45.5 | Very low | 120 Ų | 120 | 97.2 Ų | 97.2 | 63% | 0.628 | 51% | 0.513 | S | S | * | . | trans | -111.7 | 117.1 | 171.2 | -80.1 | 165.4 | 0 | 0 | 0 | 107.5 | L11 I15 | L11-L17 HydrophobicContact CD1-CB 3.46Å; L11-L17 VanDerWaalsContact CD1-CB 3.46Å; L11-L17 WeakPolarHBondContact CD1-O 3.39Å; I15-L17 HydrophobicContact CG2-CB 4.05Å; I15-L17 HydrophobicContact CG2-CD1 3.9Å; I15-L17 HydrophobicContact CG2-CG 4.12Å; I15-L17 PolarHBondContact O-N 2.97Å | ||
| 18 | K | 42.2 | Very low | 45 | Very low | 187 Ų | 187 | 94.9 Ų | 94.9 | 81% | 0.813 | 50% | 0.5 | S | S | * | . | trans | -68.3 | 140.7 | 176.3 | -73 | 179.4 | 177.4 | 175.7 | 0 | 109.5 | C20 | K18-C20 PolarHBondContact O-N 3.5Å; K18-C20 VanDerWaalsContact O-N 3.07Å | ||
| 19 | P | 47.5 | Very low | 44.9 | Very low | 63 Ų | 63 | 94.3 Ų | 94.3 | 41% | 0.409 | 50% | 0.498 | S | S | . | . | trans | -54.6 | 116.6 | 169.1 | -21 | 31.6 | 0 | 0 | 0 | 108.9 | N6 F8 | N6-P19 HydrophobicContact CB-CB 4.35Å; N6-P19 WeakPolarHBondContact CB-O 3.36Å; F8-P19 CarbonylContact O-C 3.55Å; F8-P19 WeakPolarHBondContact O-CA 3.48Å | ||
| 20 | C | 49 | Very low | 44.8 | Very low | 109 Ų | 109 | 95.1 Ų | 95.1 | 74% | 0.736 | 50% | 0.503 | S | S | * | . | trans | -96.6 | -8.4 | -167.8 | -129.4 | 0 | 0 | 0 | 0 | 112.6 | F8 K18 | F8-C20 PolarHBondContact O-N 3.05Å; K18-C20 PolarHBondContact O-N 3.5Å; K18-C20 VanDerWaalsContact O-N 3.07Å | ||
| 21 | F | 42.6 | Very low | 45 | Very low | 95 Ų | 95 | 95.8 Ų | 95.8 | 42% | 0.417 | 51% | 0.508 | S | S | . | . | B | Isolated β-bridge | trans | -147.1 | 146 | -172.1 | -155.1 | -107.6 | 0 | 0 | 0 | 114.8 | N6 N7 F8 Q23 | N6-F21 CarbonylContact C-O 3.42Å; N7-F21 PolarHBondContact N-O 3.25Å; F8-F21 HydrophobicContact CB-CB 4.39Å; F8-F21 WeakPolarHBondContact CB-O 3.49Å; F8-F21 PolarHBondContact N-O 3.02Å; F8-F21 PolarHBondContact O-N 3.37Å; F8-F21 VanDerWaalsContact O-N 3.11Å; F21-Q23 HydrophobicContact CD1-CB 4.15Å |
| 22 | Y | 41.1 | Very low | 45.3 | Very low | 71 Ų | 71 | 101 Ų | 101 | 28% | 0.278 | 53% | 0.53 | S | S | . | . | trans | -90.5 | 102.4 | 165.8 | -171.3 | -86.4 | 0 | 0 | 0 | 108.7 | K4 V5 N6 D24 | K4-Y22 HydrophobicContact CB-CD1 4.44Å; K4-Y22 HydrophobicContact CB-CD2 3.62Å; K4-Y22 HydrophobicContact CB-CE2 3.76Å; K4-Y22 HydrophobicContact CB-CG 4.01Å; K4-Y22 HydrophobicContact CD-CD1 3.7Å; K4-Y22 HydrophobicContact CD-CD2 4.27Å; K4-Y22 HydrophobicContact CD-CE1 3.39Å; K4-Y22 HydrophobicContact CD-CE2 4.05Å; K4-Y22 HydrophobicContact CD-CG 4.15Å; K4-Y22 HydrophobicContact CG-CD1 4.3Å; K4-Y22 HydrophobicContact CG-CD2 3.96Å; K4-Y22 HydrophobicContact CG-CE1 3.94Å; K4-Y22 HydrophobicContact CG-CE2 3.61Å; K4-Y22 HydrophobicContact CG-CG 4.32Å; V5-Y22 WeakPolarHBondContact O-CD2 3.34Å; N6-Y22 PolarHBondContact OD1-N 3.41Å; Y22-D24 HydrophobicContact CD1-CB 3.91Å; Y22-D24 HydrophobicContact CE1-CB 3.31Å; Y22-D24 WeakPolarHBondContact CE1-OD2 3.29Å; Y22-D24 VanDerWaalsContact CZ-OD2 3.23Å; Y22-D24 PolarHBondContact OH-OD2 3.04Å | ||
| 23 | Q | 44.2 | Very low | 45.8 | Very low | 16 Ų | 16 | 97.7 Ų | 97.7 | 8% | 0.075 | 51% | 0.507 | C | S | . | . | trans | -107.5 | 109.3 | 177.5 | -170.8 | 79.8 | 29.7 | 0 | 0 | 108.9 | F8 F21 F25 | F8-Q23 HydrophobicContact CB-CB 4.11Å; F8-Q23 HydrophobicContact CD2-CB 4.11Å; F8-Q23 HydrophobicContact CG-CB 4.16Å; F21-Q23 HydrophobicContact CD1-CB 4.15Å; Q23-F25 HydrophobicContact CG-CD2 4.21Å; Q23-F25 HydrophobicContact CG-CE1 4.28Å; Q23-F25 HydrophobicContact CG-CE2 3.6Å; Q23-F25 HydrophobicContact CG-CZ 3.65Å | ||
| 24 | D | 44.6 | Very low | 46.2 | Very low | 56 Ų | 56 | 87.9 Ų | 87.9 | 30% | 0.299 | 47% | 0.465 | S | S | . | . | trans | -131.2 | 94.4 | -175.4 | -150.6 | -5.9 | 0 | 0 | 0 | 108.9 | Y22 E26 A27 | Y22-D24 HydrophobicContact CD1-CB 3.91Å; Y22-D24 HydrophobicContact CE1-CB 3.31Å; Y22-D24 WeakPolarHBondContact CE1-OD2 3.29Å; Y22-D24 VanDerWaalsContact CZ-OD2 3.23Å; Y22-D24 PolarHBondContact OH-OD2 3.04Å; D24-E26 VanDerWaalsContact C-N 3.27Å; D24-E26 PolarHBondContact O-N 3.35Å; D24-A27 HydrophobicContact CB-CB 4.49Å; D24-A27 PolarHBondContact O-N 2.96Å | ||
| 25 | F | 46.2 | Very low | 46.7 | Very low | 31 Ų | 31 | 81.1 Ų | 81.1 | 14% | 0.136 | 44% | 0.443 | C | S | . | . | H | α-helix | trans | -65.9 | -30 | -170.1 | -69 | -81.3 | 0 | 0 | 0 | 112.2 | Q23 L34 T37 Y41 F90 | Q23-F25 HydrophobicContact CG-CD2 4.21Å; Q23-F25 HydrophobicContact CG-CE1 4.28Å; Q23-F25 HydrophobicContact CG-CE2 3.6Å; Q23-F25 HydrophobicContact CG-CZ 3.65Å; F25-L34 HydrophobicContact CB-CD2 3.72Å; F25-L34 WeakPolarHBondContact O-CD2 3.21Å; F25-T37 HydrophobicContact CD1-CG2 4.31Å; F25-T37 HydrophobicContact CE1-CG2 4.08Å; F25-Y41 HydrophobicContact CZ-CD1 4.48Å; F25-Y41 HydrophobicContact CZ-CD2 4.03Å; F25-Y41 HydrophobicContact CZ-CE2 4.46Å; F25-Y41 HydrophobicContact CZ-CG 4.03Å; F25-F90 HydrophobicContact CE1-CZ 4.39Å; F25-F90 HydrophobicContact CZ-CZ 4.21Å |
| 26 | E | 45.7 | Very low | 47.5 | Very low | 152 Ų | 152 | 79.1 Ų | 79.1 | 71% | 0.71 | 43% | 0.432 | S | S | * | . | H | α-helix | trans | -81.6 | -21.8 | -175.6 | -72.1 | -179.2 | 162.5 | 0 | 0 | 114.1 | D24 K38 | D24-E26 VanDerWaalsContact C-N 3.27Å; D24-E26 PolarHBondContact O-N 3.35Å; E26-K38 IonicContact OE1-NZ 3.86Å |
| 27 | A | 42.8 | Very low | 48.5 | Very low | 65 Ų | 65 | 72.8 Ų | 72.8 | 54% | 0.537 | 39% | 0.391 | S | S | . | . | H | α-helix | trans | -92.1 | -21.8 | -179.4 | 0 | 0 | 0 | 0 | 0 | 113.8 | D24 | D24-A27 HydrophobicContact CB-CB 4.49Å; D24-A27 PolarHBondContact O-N 2.96Å |
| 28 | D | 43.9 | Very low | 49.7 | Very low | 65 Ų | 65 | 70.5 Ų | 70.5 | 35% | 0.348 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -115.1 | -11.1 | -165.9 | -110.5 | 30.2 | 0 | 0 | 0 | 115 | Y94 K98 | D28-Y94 PolarHBondContact OD2-OH 3.2Å; D28-K98 IonicContact OD1-NZ 3.88Å; D28-K98 IonicContact OD2-NZ 2.78Å; D28-K98 PolarHBondContact OD2-NZ 3.48Å |
| 29 | I | 45.5 | Very low | 51 | Low | 9 Ų | 9 | 67.9 Ų | 67.9 | 5% | 0.046 | 36% | 0.361 | C | S | . | . | S | Bend | trans | -130.2 | 134.7 | -174.7 | -58.7 | -174.8 | 0 | 0 | 0 | 110.9 | H33 L34 T37 Y94 | I29-H33 HydrophobicContact CG2-CB 3.78Å; I29-L34 HydrophobicContact CB-CD2 4.15Å; I29-L34 HydrophobicContact CB-CG 3.95Å; I29-L34 HydrophobicContact CG2-CD2 4.45Å; I29-L34 HydrophobicContact CG2-CG 3.96Å; I29-L34 VanDerWaalsContact O-CD1 3.24Å; I29-L34 WeakPolarHBondContact O-CD1 3.11Å; I29-T37 HydrophobicContact CD1-CG2 3.83Å; I29-Y94 HydrophobicContact CD1-CD2 4.35Å; I29-Y94 HydrophobicContact CD1-CE2 4.15Å |
| 30 | P | 42 | Very low | 52.3 | Low | 67 Ų | 67 | 65.1 Ų | 65.1 | 44% | 0.435 | 34% | 0.343 | S | S | . | . | trans | -58.4 | 144.6 | 176.2 | -17 | 26.4 | 0 | 0 | 0 | 112 | Q32 H33 L34 | P30-Q32 PolarHBondContact O-N 2.97Å; P30-H33 PolarHBondContact O-N 3.36Å; P30-L34 PolarHBondContact O-N 3.32Å | ||
| 31 | P | 49.1 | Very low | 53.4 | Low | 116 Ų | 116 | 61.2 Ų | 61.2 | 75% | 0.753 | 31% | 0.313 | S | S | * | . | H | α-helix | trans | -56.1 | -22.2 | -175.3 | 19.1 | -30.8 | 0 | 0 | 0 | 114.9 | ||
| 32 | Q | 49 | Very low | 54.9 | Low | 164 Ų | 164 | 63.9 Ų | 63.9 | 77% | 0.766 | 32% | 0.321 | S | S | * | . | H | α-helix | trans | -74.1 | -31.4 | 176.8 | -71.2 | 176.6 | -14.9 | 0 | 0 | 113.9 | P30 | P30-Q32 PolarHBondContact O-N 2.97Å |
| 33 | H | 55.5 | Low | 56.7 | Low | 21 Ų | 21 | 61 Ų | 61 | 10% | 0.097 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -97.2 | -17.7 | -178.6 | -60.1 | -83.9 | 0 | 0 | 0 | 112.9 | I29 P30 S35 M36 T37 F97 F183 | I29-H33 HydrophobicContact CG2-CB 3.78Å; P30-H33 PolarHBondContact O-N 3.36Å; H33-S35 VanDerWaalsContact C-N 3.35Å; H33-S35 PolarHBondContact O-N 3.01Å; H33-M36 PolarHBondContact O-N 3.25Å; H33-M36 VanDerWaalsContact O-N 3.13Å; H33-T37 PolarHBondContact O-N 3.46Å; H33-T37 PolarHBondContact O-OG1 2.97Å; H33-T37 VanDerWaalsContact O-OG1 3.11Å; H33-F97 HydrophobicContact CB-CD1 3.73Å; H33-F97 HydrophobicContact CB-CE1 4.12Å; H33-F97 HydrophobicContact CB-CG 4.44Å; H33-F97 AromaticContact CG-CD1 3.95Å; H33-F97 AromaticContact ND1-CD1 3.7Å; H33-F97 AromaticContact ND1-CE1 3.77Å; H33-F183 AromaticContact CE1-CE1 3.6Å; H33-F183 AromaticContact CE1-CZ 3.21Å; H33-F183 WeakPolarHBondContact CE1-CZ 3.24Å; H33-F183 AromaticContact ND1-CE1 3.84Å; H33-F183 AromaticContact ND1-CZ 3.59Å |
| 34 | L | 58.8 | Low | 58.3 | Low | 21 Ų | 21 | 61.7 Ų | 61.7 | 11% | 0.11 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -55.8 | -41.9 | -179.1 | -98.1 | 168.2 | 0 | 0 | 0 | 114.1 | F25 I29 P30 M36 T37 K38 | F25-L34 HydrophobicContact CB-CD2 3.72Å; F25-L34 WeakPolarHBondContact O-CD2 3.21Å; I29-L34 HydrophobicContact CB-CD2 4.15Å; I29-L34 HydrophobicContact CB-CG 3.95Å; I29-L34 HydrophobicContact CG2-CD2 4.45Å; I29-L34 HydrophobicContact CG2-CG 3.96Å; I29-L34 VanDerWaalsContact O-CD1 3.24Å; I29-L34 WeakPolarHBondContact O-CD1 3.11Å; P30-L34 PolarHBondContact O-N 3.32Å; L34-M36 VanDerWaalsContact C-N 3.31Å; L34-M36 PolarHBondContact O-N 2.86Å; L34-T37 PolarHBondContact O-N 3.3Å; L34-K38 VanDerWaalsContact O-CB 3.31Å; L34-K38 WeakPolarHBondContact O-CB 3.48Å; L34-K38 VanDerWaalsContact O-CG 3.26Å; L34-K38 WeakPolarHBondContact O-CG 3.28Å; L34-K38 PolarHBondContact O-N 3.37Å |
| 35 | S | 58.2 | Low | 59.9 | Low | 60 Ų | 60 | 62.7 Ų | 62.7 | 42% | 0.42 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -65 | -36.8 | 179.4 | -167.8 | 0 | 0 | 0 | 0 | 111.9 | H33 R39 | H33-S35 VanDerWaalsContact C-N 3.35Å; H33-S35 PolarHBondContact O-N 3.01Å; S35-R39 WeakPolarHBondContact O-CB 3.31Å; S35-R39 VanDerWaalsContact O-CG 3.22Å; S35-R39 WeakPolarHBondContact O-CG 3.45Å; S35-R39 PolarHBondContact O-N 2.83Å |
| 36 | M | 64 | Low | 61.5 | Low | 39 Ų | 39 | 63.8 Ų | 63.8 | 19% | 0.192 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -70.8 | -48 | 177.3 | -63.7 | -56.4 | 178.2 | 0 | 0 | 111.2 | H33 L34 K38 R39 L40 F97 M179 | H33-M36 PolarHBondContact O-N 3.25Å; H33-M36 VanDerWaalsContact O-N 3.13Å; L34-M36 VanDerWaalsContact C-N 3.31Å; L34-M36 PolarHBondContact O-N 2.86Å; M36-K38 VanDerWaalsContact C-N 3.32Å; M36-K38 PolarHBondContact O-N 2.93Å; M36-R39 PolarHBondContact O-N 3.04Å; M36-L40 WeakPolarHBondContact O-CD1 3.5Å; M36-L40 WeakPolarHBondContact O-CG 3.42Å; M36-L40 PolarHBondContact O-N 3.39Å; M36-F97 HydrophobicContact CB-CE1 4.5Å; M36-F97 HydrophobicContact CB-CZ 3.92Å; M36-M179 HydrophobicContact CE-CE 4.4Å; M36-M179 HydrophobicContact CE-CG 3.37Å; M36-M179 HydrophobicContact CE-SD 3.43Å; M36-M179 WeakPolarHBondContact CE-SD 3.34Å; M36-M179 HydrophobicContact SD-CG 3.49Å; M36-M179 WeakPolarHBondContact SD-CG 3.26Å; M36-M179 HydrophobicContact SD-SD 3.21Å |
| 37 | T | 65.3 | Low | 63.2 | Low | 1 Ų | 1 | 56.6 Ų | 56.6 | 1% | 0.006 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -62.1 | -39.8 | 178 | -43.7 | 0 | 0 | 0 | 0 | 111.7 | F25 I29 H33 L34 L40 Y41 F97 | F25-T37 HydrophobicContact CD1-CG2 4.31Å; F25-T37 HydrophobicContact CE1-CG2 4.08Å; I29-T37 HydrophobicContact CD1-CG2 3.83Å; H33-T37 PolarHBondContact O-N 3.46Å; H33-T37 PolarHBondContact O-OG1 2.97Å; H33-T37 VanDerWaalsContact O-OG1 3.11Å; L34-T37 PolarHBondContact O-N 3.3Å; T37-L40 PolarHBondContact O-N 3.34Å; T37-Y41 VanDerWaalsContact O-CB 3.31Å; T37-Y41 WeakPolarHBondContact O-CB 3.49Å; T37-Y41 PolarHBondContact O-N 2.93Å; T37-F97 HydrophobicContact CG2-CD2 4.3Å; T37-F97 WeakPolarHBondContact OG1-CD2 3.29Å; T37-F97 WeakPolarHBondContact OG1-CE2 3.4Å |
| 38 | K | 67.2 | Low | 65 | Low | 72 Ų | 72 | 54.8 Ų | 54.8 | 31% | 0.313 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -62.3 | -45.1 | 174.2 | -75.8 | 179.1 | -179.8 | -177.1 | 0 | 111.5 | E26 L34 M36 L40 Y41 Y42 | E26-K38 IonicContact OE1-NZ 3.86Å; L34-K38 VanDerWaalsContact O-CB 3.31Å; L34-K38 WeakPolarHBondContact O-CB 3.48Å; L34-K38 VanDerWaalsContact O-CG 3.26Å; L34-K38 WeakPolarHBondContact O-CG 3.28Å; L34-K38 PolarHBondContact O-N 3.37Å; M36-K38 VanDerWaalsContact C-N 3.32Å; M36-K38 PolarHBondContact O-N 2.93Å; K38-L40 PolarHBondContact O-N 3.49Å; K38-Y41 WeakPolarHBondContact O-CB 3.41Å; K38-Y41 PolarHBondContact O-N 2.91Å; K38-Y42 HydrophobicContact CB-CE2 4.37Å; K38-Y42 WeakPolarHBondContact O-CD2 3.28Å; K38-Y42 PolarHBondContact O-N 3.39Å |
| 39 | R | 69.4 | Low | 67 | Low | 133 Ų | 133 | 55 Ų | 55 | 50% | 0.502 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -61.1 | -44 | 176.5 | -75 | 170.9 | -178.1 | -176.1 | 0.2 | 112.5 | S35 M36 Y41 Y42 L43 M179 | S35-R39 WeakPolarHBondContact O-CB 3.31Å; S35-R39 VanDerWaalsContact O-CG 3.22Å; S35-R39 WeakPolarHBondContact O-CG 3.45Å; S35-R39 PolarHBondContact O-N 2.83Å; M36-R39 PolarHBondContact O-N 3.04Å; R39-Y41 VanDerWaalsContact C-N 3.34Å; R39-Y42 PolarHBondContact O-N 3.06Å; R39-L43 WeakPolarHBondContact O-CB 3.35Å; R39-L43 PolarHBondContact O-N 3.49Å; R39-M179 PolarHBondContact NH1-SD 2.94Å |
| 40 | L | 74.1 | Confident | 68.7 | Low | 4 Ų | 4 | 54.6 Ų | 54.6 | 2% | 0.021 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -64.1 | -38.8 | 175.3 | -75.6 | 153.3 | 0 | 0 | 0 | 111.6 | M36 T37 K38 L43 W44 W89 I93 F97 F108 F112 A176 V180 | M36-L40 WeakPolarHBondContact O-CD1 3.5Å; M36-L40 WeakPolarHBondContact O-CG 3.42Å; M36-L40 PolarHBondContact O-N 3.39Å; T37-L40 PolarHBondContact O-N 3.34Å; K38-L40 PolarHBondContact O-N 3.49Å; L40-L43 WeakPolarHBondContact O-CB 3.38Å; L40-L43 PolarHBondContact O-N 3.02Å; L40-W44 PolarHBondContact O-N 2.84Å; L40-W89 HydrophobicContact CB-CZ3 3.98Å; L40-W89 HydrophobicContact CD2-CE3 4.38Å; L40-W89 HydrophobicContact CD2-CZ3 3.67Å; L40-W89 HydrophobicContact CG-CZ3 4.46Å; L40-W89 WeakPolarHBondContact O-CH2 3.18Å; L40-I93 HydrophobicContact CD1-CD1 3.36Å; L40-I93 HydrophobicContact CD1-CG1 4Å; L40-I93 HydrophobicContact CD2-CD1 4.16Å; L40-I93 HydrophobicContact CG-CD1 4.35Å; L40-F97 HydrophobicContact CD1-CE2 3.86Å; L40-F97 HydrophobicContact CD1-CZ 4.31Å; L40-F108 HydrophobicContact CD2-CE2 4.08Å; L40-F108 HydrophobicContact CD2-CZ 3.71Å; L40-F112 HydrophobicContact CD2-CZ 4.47Å; L40-A176 HydrophobicContact CD2-CB 4.33Å; L40-V180 HydrophobicContact CD1-CG2 4.22Å |
| 41 | Y | 71.9 | Confident | 70.5 | Confident | 28 Ų | 28 | 51.5 Ų | 51.5 | 11% | 0.11 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -63.9 | -44.9 | 174.1 | 173 | -103.5 | 0 | 0 | 0 | 112.8 | F8 F25 T37 K38 R39 L43 W44 M45 F90 | F8-Y41 HydrophobicContact CE1-CE2 4.36Å; F8-Y41 HydrophobicContact CE2-CE2 4.03Å; F8-Y41 AromaticContact CE2-CZ 3.89Å; F8-Y41 WeakPolarHBondContact CE2-OH 3.43Å; F8-Y41 AromaticContact CZ-CE2 3.5Å; F8-Y41 HydrophobicContact CZ-CE2 3.5Å; F8-Y41 AromaticContact CZ-CZ 3.69Å; F8-Y41 WeakPolarHBondContact CZ-OH 3.49Å; F25-Y41 HydrophobicContact CZ-CD1 4.48Å; F25-Y41 HydrophobicContact CZ-CD2 4.03Å; F25-Y41 HydrophobicContact CZ-CE2 4.46Å; F25-Y41 HydrophobicContact CZ-CG 4.03Å; T37-Y41 VanDerWaalsContact O-CB 3.31Å; T37-Y41 WeakPolarHBondContact O-CB 3.49Å; T37-Y41 PolarHBondContact O-N 2.93Å; K38-Y41 WeakPolarHBondContact O-CB 3.41Å; K38-Y41 PolarHBondContact O-N 2.91Å; R39-Y41 VanDerWaalsContact C-N 3.34Å; Y41-L43 PolarHBondContact O-N 3.47Å; Y41-W44 HydrophobicContact CD2-CE3 4.13Å; Y41-W44 AromaticContact CE2-CE3 3.96Å; Y41-W44 HydrophobicContact CE2-CE3 3.96Å; Y41-W44 HydrophobicContact CE2-CZ3 4.01Å; Y41-W44 WeakPolarHBondContact O-CB 3.24Å; Y41-W44 PolarHBondContact O-N 2.82Å; Y41-M45 HydrophobicContact CE1-CE 3.53Å; Y41-M45 HydrophobicContact CE2-CE 4.49Å; Y41-M45 VanDerWaalsContact CZ-CE 3.5Å; Y41-M45 PolarHBondContact O-N 2.95Å; Y41-M45 WeakPolarHBondContact OH-CE 3.49Å; Y41-F90 AromaticContact CD2-CE2 3.64Å; Y41-F90 HydrophobicContact CD2-CE2 3.64Å; Y41-F90 AromaticContact CD2-CZ 3.95Å; Y41-F90 HydrophobicContact CD2-CZ 3.95Å; Y41-F90 HydrophobicContact CG-CE2 4.3Å |
| 42 | Y | 74.1 | Confident | 72.2 | Confident | 150 Ų | 150 | 48 Ų | 48 | 59% | 0.588 | 24% | 0.235 | S | C | * | . | H | α-helix | trans | -61.8 | -35.8 | 173.8 | -74 | -62 | 0 | 0 | 0 | 112 | K38 R39 M45 L46 | K38-Y42 HydrophobicContact CB-CE2 4.37Å; K38-Y42 WeakPolarHBondContact O-CD2 3.28Å; K38-Y42 PolarHBondContact O-N 3.39Å; R39-Y42 PolarHBondContact O-N 3.06Å; Y42-M45 PolarHBondContact O-N 2.88Å; Y42-L46 VanDerWaalsContact O-CB 3.31Å; Y42-L46 WeakPolarHBondContact O-CB 3.35Å; Y42-L46 PolarHBondContact O-N 3.42Å |
| 43 | L | 78.6 | Confident | 73.8 | Confident | 12 Ų | 12 | 41.9 Ų | 41.9 | 6% | 0.063 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -67.8 | -36.5 | 176.4 | -166.2 | 143.4 | 0 | 0 | 0 | 111.9 | R39 L40 Y41 L46 N47 W89 F112 M169 F172 A176 | R39-L43 WeakPolarHBondContact O-CB 3.35Å; R39-L43 PolarHBondContact O-N 3.49Å; L40-L43 WeakPolarHBondContact O-CB 3.38Å; L40-L43 PolarHBondContact O-N 3.02Å; Y41-L43 PolarHBondContact O-N 3.47Å; L43-L46 PolarHBondContact O-N 2.84Å; L43-N47 PolarHBondContact O-N 2.87Å; L43-W89 HydrophobicContact CB-CH2 4.26Å; L43-W89 HydrophobicContact CD2-CH2 3.57Å; L43-W89 HydrophobicContact CD2-CZ2 4.12Å; L43-W89 HydrophobicContact CD2-CZ3 4.4Å; L43-F112 HydrophobicContact CD2-CE2 3.84Å; L43-F112 HydrophobicContact CD2-CZ 3.75Å; L43-M169 HydrophobicContact CD2-CE 3.4Å; L43-M169 VanDerWaalsContact CD2-CE 3.4Å; L43-M169 HydrophobicContact CD2-SD 4.34Å; L43-M169 HydrophobicContact CG-CE 3.94Å; L43-M169 HydrophobicContact CG-SD 4.23Å; L43-M169 WeakPolarHBondContact O-CE 3.24Å; L43-F172 HydrophobicContact CD1-CB 3.85Å; L43-F172 WeakPolarHBondContact CD1-O 3.08Å; L43-A176 HydrophobicContact CD1-CB 3.77Å |
| 44 | W | 79.2 | Confident | 75.2 | Confident | 30 Ų | 30 | 41 Ų | 41 | 11% | 0.114 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -63.7 | -46 | 170.4 | 177.7 | 68.5 | 0 | 0 | 0 | 112.4 | F8 L40 Y41 L46 N47 S48 S85 Y86 W89 | F8-W44 HydrophobicContact CE1-CH2 4.38Å; F8-W44 HydrophobicContact CE1-CZ3 4.15Å; F8-W44 HydrophobicContact CZ-CZ3 4.28Å; L40-W44 PolarHBondContact O-N 2.84Å; Y41-W44 HydrophobicContact CD2-CE3 4.13Å; Y41-W44 AromaticContact CE2-CE3 3.96Å; Y41-W44 HydrophobicContact CE2-CE3 3.96Å; Y41-W44 HydrophobicContact CE2-CZ3 4.01Å; Y41-W44 WeakPolarHBondContact O-CB 3.24Å; Y41-W44 PolarHBondContact O-N 2.82Å; W44-L46 VanDerWaalsContact C-N 3.32Å; W44-L46 PolarHBondContact O-N 3.4Å; W44-N47 VanDerWaalsContact O-CB 3.31Å; W44-N47 WeakPolarHBondContact O-CB 3.26Å; W44-N47 PolarHBondContact O-N 2.88Å; W44-S48 PolarHBondContact O-N 3.36Å; W44-S48 VanDerWaalsContact O-N 3.12Å; W44-S85 PolarHBondContact NE1-OG 2.9Å; W44-Y86 HydrophobicContact CD2-CD2 4.47Å; W44-Y86 AromaticContact CE2-CD2 3.86Å; W44-Y86 AromaticContact CH2-CD2 3.96Å; W44-Y86 HydrophobicContact CH2-CD2 3.96Å; W44-Y86 HydrophobicContact CH2-CE2 4.48Å; W44-Y86 AromaticContact CZ2-CD2 3.59Å; W44-Y86 HydrophobicContact CZ2-CD2 3.59Å; W44-Y86 HydrophobicContact CZ2-CG 4.13Å; W44-W89 VanDerWaalsContact CA-CZ2 3.41Å; W44-W89 HydrophobicContact CB-CH2 3.67Å; W44-W89 HydrophobicContact CB-CZ2 3.32Å; W44-W89 AromaticContact CD1-CE2 3.86Å; W44-W89 AromaticContact CD1-CZ2 3.81Å; W44-W89 AromaticContact CD1-NE1 3.65Å; W44-W89 AromaticContact CG-CZ2 3.96Å; W44-W89 HydrophobicContact CG-CZ2 3.96Å |
| 45 | M | 77.3 | Confident | 76.3 | Confident | 77 Ų | 77 | 41.6 Ų | 41.6 | 38% | 0.379 | 21% | 0.208 | S | C | . | . | H | α-helix | trans | -61.5 | -42.5 | 176 | -169.4 | -179 | -62.8 | 0 | 0 | 111.4 | Y41 Y42 N47 S48 V49 | Y41-M45 HydrophobicContact CE1-CE 3.53Å; Y41-M45 HydrophobicContact CE2-CE 4.49Å; Y41-M45 VanDerWaalsContact CZ-CE 3.5Å; Y41-M45 PolarHBondContact O-N 2.95Å; Y41-M45 WeakPolarHBondContact OH-CE 3.49Å; Y42-M45 PolarHBondContact O-N 2.88Å; M45-N47 VanDerWaalsContact C-N 3.3Å; M45-N47 PolarHBondContact O-N 3.47Å; M45-S48 PolarHBondContact O-N 3.39Å; M45-V49 WeakPolarHBondContact O-CG2 3.41Å; M45-V49 PolarHBondContact O-N 2.87Å |
| 46 | L | 80.9 | Confident | 77.6 | Confident | 53 Ų | 53 | 42.9 Ų | 42.9 | 28% | 0.277 | 21% | 0.213 | S | C | . | . | H | α-helix | trans | -60.1 | -39.9 | 175.4 | -174 | 69.1 | 0 | 0 | 0 | 111.6 | Y42 L43 W44 V49 T50 M169 F172 | Y42-L46 VanDerWaalsContact O-CB 3.31Å; Y42-L46 WeakPolarHBondContact O-CB 3.35Å; Y42-L46 PolarHBondContact O-N 3.42Å; L43-L46 PolarHBondContact O-N 2.84Å; W44-L46 VanDerWaalsContact C-N 3.32Å; W44-L46 PolarHBondContact O-N 3.4Å; L46-V49 PolarHBondContact O-N 2.84Å; L46-T50 VanDerWaalsContact O-CB 3.3Å; L46-T50 WeakPolarHBondContact O-CB 3.28Å; L46-T50 PolarHBondContact O-N 3.36Å; L46-T50 PolarHBondContact O-OG1 3.5Å; L46-M169 HydrophobicContact CB-SD 4.35Å; L46-M169 HydrophobicContact CD2-SD 4Å; L46-M169 HydrophobicContact CG-SD 4.19Å; L46-F172 HydrophobicContact CD2-CD2 3.96Å |
| 47 | N | 81.2 | Confident | 78.3 | Confident | 2 Ų | 2 | 41.1 Ų | 41.1 | 1% | 0.011 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -60.3 | -48.1 | 175.2 | -167.6 | 61.3 | 0 | 0 | 0 | 111.7 | L43 W44 M45 T50 L51 Q115 M169 | L43-N47 PolarHBondContact O-N 2.87Å; W44-N47 VanDerWaalsContact O-CB 3.31Å; W44-N47 WeakPolarHBondContact O-CB 3.26Å; W44-N47 PolarHBondContact O-N 2.88Å; M45-N47 VanDerWaalsContact C-N 3.3Å; M45-N47 PolarHBondContact O-N 3.47Å; N47-T50 PolarHBondContact O-N 3.11Å; N47-L51 WeakPolarHBondContact O-CG 3.23Å; N47-L51 PolarHBondContact O-N 2.89Å; N47-Q115 PolarHBondContact OD1-NE2 3.31Å; N47-M169 HydrophobicContact CB-CE 3.53Å; N47-M169 HydrophobicContact CB-SD 4.2Å |
| 48 | S | 80.6 | Confident | 78.9 | Confident | 26 Ų | 26 | 41 Ų | 41 | 18% | 0.182 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -63.9 | -42.4 | 178.2 | -67.6 | 0 | 0 | 0 | 0 | 112.4 | W44 M45 T50 L51 A52 | W44-S48 PolarHBondContact O-N 3.36Å; W44-S48 VanDerWaalsContact O-N 3.12Å; M45-S48 PolarHBondContact O-N 3.39Å; S48-T50 VanDerWaalsContact C-N 3.35Å; S48-L51 PolarHBondContact O-N 3.31Å; S48-A52 PolarHBondContact O-N 3.13Å |
| 49 | V | 84.8 | Confident | 79.6 | Confident | 70 Ų | 70 | 41.1 Ų | 41.1 | 42% | 0.424 | 21% | 0.208 | S | C | . | . | H | α-helix | trans | -63.6 | -42.5 | 175.5 | 172.4 | 0 | 0 | 0 | 0 | 110.7 | M45 L46 L51 A52 V53 | M45-V49 WeakPolarHBondContact O-CG2 3.41Å; M45-V49 PolarHBondContact O-N 2.87Å; L46-V49 PolarHBondContact O-N 2.84Å; V49-L51 VanDerWaalsContact C-N 3.33Å; V49-L51 PolarHBondContact O-N 2.95Å; V49-A52 WeakPolarHBondContact O-CB 3.27Å; V49-A52 PolarHBondContact O-N 3.44Å; V49-A52 VanDerWaalsContact O-N 3.13Å; V49-V53 HydrophobicContact CG1-CG2 4.31Å; V49-V53 WeakPolarHBondContact O-CG2 3.46Å; V49-V53 PolarHBondContact O-N 3.32Å |
| 50 | T | 82.4 | Confident | 80.2 | Confident | 0 Ų | 0 | 35.8 Ų | 35.8 | 0% | 0 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -61.3 | -41.9 | 178.1 | -58.2 | 0 | 0 | 0 | 0 | 111.4 | L46 N47 S48 A52 V53 N54 M165 F166 | L46-T50 VanDerWaalsContact O-CB 3.3Å; L46-T50 WeakPolarHBondContact O-CB 3.28Å; L46-T50 PolarHBondContact O-N 3.36Å; L46-T50 PolarHBondContact O-OG1 3.5Å; N47-T50 PolarHBondContact O-N 3.11Å; S48-T50 VanDerWaalsContact C-N 3.35Å; T50-A52 VanDerWaalsContact C-N 3.34Å; T50-A52 PolarHBondContact O-N 3.04Å; T50-V53 PolarHBondContact O-N 3.26Å; T50-N54 VanDerWaalsContact O-CB 3.27Å; T50-N54 WeakPolarHBondContact O-CB 3.48Å; T50-N54 PolarHBondContact O-N 2.97Å; T50-M165 HydrophobicContact CG2-CB 3.78Å; T50-F166 HydrophobicContact CG2-CD1 3.64Å; T50-F166 HydrophobicContact CG2-CD2 4.11Å; T50-F166 HydrophobicContact CG2-CE1 3.7Å; T50-F166 HydrophobicContact CG2-CE2 4.16Å; T50-F166 HydrophobicContact CG2-CG 3.84Å; T50-F166 HydrophobicContact CG2-CZ 3.97Å |
| 51 | L | 80.1 | Confident | 80.3 | Confident | 2 Ų | 2 | 37.3 Ų | 37.3 | 1% | 0.01 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -64.7 | -36 | 174.5 | -70 | 170.7 | 0 | 0 | 0 | 112.6 | N47 S48 V49 N54 L55 F81 F166 | N47-L51 WeakPolarHBondContact O-CG 3.23Å; N47-L51 PolarHBondContact O-N 2.89Å; S48-L51 PolarHBondContact O-N 3.31Å; V49-L51 VanDerWaalsContact C-N 3.33Å; V49-L51 PolarHBondContact O-N 2.95Å; L51-N54 WeakPolarHBondContact O-CB 3.33Å; L51-N54 PolarHBondContact O-N 2.89Å; L51-L55 PolarHBondContact O-N 3Å; L51-L55 VanDerWaalsContact O-N 3.07Å; L51-F81 HydrophobicContact CD1-CB 3.9Å; L51-F166 HydrophobicContact CD2-CE1 4.43Å; L51-F166 HydrophobicContact CD2-CZ 4.32Å |
| 52 | A | 83.6 | Confident | 80.7 | Confident | 42 Ų | 42 | 39 Ų | 39 | 35% | 0.347 | 21% | 0.208 | S | C | . | . | H | α-helix | trans | -67.9 | -44.2 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | S48 V49 T50 N54 L55 V56 L78 | S48-A52 PolarHBondContact O-N 3.13Å; V49-A52 WeakPolarHBondContact O-CB 3.27Å; V49-A52 PolarHBondContact O-N 3.44Å; V49-A52 VanDerWaalsContact O-N 3.13Å; T50-A52 VanDerWaalsContact C-N 3.34Å; T50-A52 PolarHBondContact O-N 3.04Å; A52-N54 VanDerWaalsContact C-N 3.27Å; A52-N54 PolarHBondContact O-N 2.93Å; A52-L55 WeakPolarHBondContact O-CB 3.28Å; A52-L55 PolarHBondContact O-N 3.33Å; A52-L55 VanDerWaalsContact O-N 3.17Å; A52-V56 PolarHBondContact O-N 3.39Å; A52-L78 HydrophobicContact CB-CD1 4.12Å |
| 53 | V | 83.6 | Confident | 81.1 | Confident | 37 Ų | 37 | 38.3 Ų | 38.3 | 22% | 0.224 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -65.8 | -34.4 | 175.2 | 176.7 | 0 | 0 | 0 | 0 | 110.8 | V49 T50 L55 V56 G57 I161 P162 M165 | V49-V53 HydrophobicContact CG1-CG2 4.31Å; V49-V53 WeakPolarHBondContact O-CG2 3.46Å; V49-V53 PolarHBondContact O-N 3.32Å; T50-V53 PolarHBondContact O-N 3.26Å; V53-L55 VanDerWaalsContact C-N 3.34Å; V53-L55 PolarHBondContact O-N 3.43Å; V53-V56 PolarHBondContact O-N 3.38Å; V53-G57 PolarHBondContact O-N 2.82Å; V53-I161 HydrophobicContact CG1-CG2 3.88Å; V53-P162 HydrophobicContact CG1-CB 4.18Å; V53-M165 HydrophobicContact CB-SD 3.97Å; V53-M165 HydrophobicContact CG1-SD 3.93Å; V53-M165 HydrophobicContact CG2-CE 4.47Å; V53-M165 HydrophobicContact CG2-SD 3.88Å |
| 54 | N | 83.8 | Confident | 80.8 | Confident | 2 Ų | 2 | 38.3 Ų | 38.3 | 1% | 0.011 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -61.6 | -39.4 | 172.2 | -179.3 | 63.4 | 0 | 0 | 0 | 112.3 | T50 L51 A52 V56 G57 C58 S140 P162 F166 | T50-N54 VanDerWaalsContact O-CB 3.27Å; T50-N54 WeakPolarHBondContact O-CB 3.48Å; T50-N54 PolarHBondContact O-N 2.97Å; L51-N54 WeakPolarHBondContact O-CB 3.33Å; L51-N54 PolarHBondContact O-N 2.89Å; A52-N54 VanDerWaalsContact C-N 3.27Å; A52-N54 PolarHBondContact O-N 2.93Å; N54-V56 VanDerWaalsContact C-N 3.34Å; N54-V56 PolarHBondContact O-N 3.37Å; N54-G57 PolarHBondContact O-N 3.42Å; N54-C58 PolarHBondContact O-N 2.88Å; N54-C58 PolarHBondContact O-SG 3.39Å; N54-C58 VanDerWaalsContact O-SG 3.4Å; N54-S140 WeakPolarHBondContact OD1-CB 3.28Å; N54-S140 PolarHBondContact OD1-OG 3.49Å; N54-P162 HydrophobicContact CB-CB 4.19Å; N54-F166 HydrophobicContact CB-CE2 3.75Å; N54-F166 HydrophobicContact CB-CZ 3.9Å |
| 55 | L | 83.1 | Confident | 80.4 | Confident | 34 Ų | 34 | 40.3 Ų | 40.3 | 18% | 0.178 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -61.3 | -42.3 | 173.3 | -179.1 | 66.4 | 0 | 0 | 0 | 111.7 | L51 A52 V53 C58 L59 F71 A74 F75 L78 | L51-L55 PolarHBondContact O-N 3Å; L51-L55 VanDerWaalsContact O-N 3.07Å; A52-L55 WeakPolarHBondContact O-CB 3.28Å; A52-L55 PolarHBondContact O-N 3.33Å; A52-L55 VanDerWaalsContact O-N 3.17Å; V53-L55 VanDerWaalsContact C-N 3.34Å; V53-L55 PolarHBondContact O-N 3.43Å; L55-C58 PolarHBondContact O-N 2.97Å; L55-L59 WeakPolarHBondContact O-CB 3.26Å; L55-L59 PolarHBondContact O-N 3.43Å; L55-F71 HydrophobicContact CD1-CD2 3.88Å; L55-F71 HydrophobicContact CD1-CE2 3.54Å; L55-F71 HydrophobicContact CD1-CZ 4.17Å; L55-F71 HydrophobicContact CG-CE2 4.18Å; L55-A74 HydrophobicContact CD1-CB 4.13Å; L55-F75 HydrophobicContact CD1-CB 3.86Å; L55-F75 HydrophobicContact CD1-CD2 4.22Å; L55-F75 HydrophobicContact CD2-CD2 4.04Å; L55-L78 HydrophobicContact CB-CD1 4.29Å; L55-L78 HydrophobicContact CD2-CD1 4.06Å |
| 56 | V | 84.1 | Confident | 80 | Confident | 87 Ų | 87 | 37.1 Ų | 37.1 | 53% | 0.527 | 23% | 0.233 | S | C | . | . | H | α-helix | trans | -64.9 | -40.5 | 176 | 179 | 0 | 0 | 0 | 0 | 111.2 | A52 V53 N54 L59 A60 | A52-V56 PolarHBondContact O-N 3.39Å; V53-V56 PolarHBondContact O-N 3.38Å; N54-V56 VanDerWaalsContact C-N 3.34Å; N54-V56 PolarHBondContact O-N 3.37Å; V56-L59 WeakPolarHBondContact O-CB 3.31Å; V56-L59 PolarHBondContact O-N 3.07Å; V56-A60 PolarHBondContact O-N 3.14Å |
| 57 | G | 79.4 | Confident | 79.5 | Confident | 1 Ų | 1 | 36.8 Ų | 36.8 | 1% | 0.01 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -60.5 | -45.6 | 173.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | V53 N54 L59 A60 W61 | V53-G57 PolarHBondContact O-N 2.82Å; N54-G57 PolarHBondContact O-N 3.42Å; G57-L59 VanDerWaalsContact C-N 3.3Å; G57-L59 PolarHBondContact O-N 2.95Å; G57-A60 PolarHBondContact O-N 3.05Å; G57-W61 PolarHBondContact O-N 3.39Å |
| 58 | C | 77.3 | Confident | 79.2 | Confident | 0 Ų | 0 | 39.6 Ų | 39.6 | 0% | 0 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -67.6 | -28.9 | 175.5 | -68.6 | 0 | 0 | 0 | 0 | 113.2 | N54 L55 W61 L62 F71 A74 C139 | N54-C58 PolarHBondContact O-N 2.88Å; N54-C58 PolarHBondContact O-SG 3.39Å; N54-C58 VanDerWaalsContact O-SG 3.4Å; L55-C58 PolarHBondContact O-N 2.97Å; C58-W61 WeakPolarHBondContact O-CB 3.22Å; C58-W61 PolarHBondContact O-N 3.32Å; C58-L62 PolarHBondContact O-N 3.35Å; C58-F71 HydrophobicContact CB-CB 4.42Å; C58-F71 HydrophobicContact CB-CD2 4.48Å; C58-A74 HydrophobicContact CB-CB 3.94Å; C58-C139 VanDerWaalsContact SG-CB 3.6Å |
| 59 | L | 82.3 | Confident | 78.8 | Confident | 73 Ų | 73 | 43.3 Ų | 43.3 | 38% | 0.382 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -68.5 | -43 | 172.3 | -177.7 | 62.4 | 0 | 0 | 0 | 110.9 | L55 V56 G57 W61 L62 I63 F71 | L55-L59 WeakPolarHBondContact O-CB 3.26Å; L55-L59 PolarHBondContact O-N 3.43Å; V56-L59 WeakPolarHBondContact O-CB 3.31Å; V56-L59 PolarHBondContact O-N 3.07Å; G57-L59 VanDerWaalsContact C-N 3.3Å; G57-L59 PolarHBondContact O-N 2.95Å; L59-W61 VanDerWaalsContact C-N 3.29Å; L59-W61 PolarHBondContact O-N 3.2Å; L59-L62 WeakPolarHBondContact O-CB 3Å; L59-L62 PolarHBondContact O-N 3.2Å; L59-I63 HydrophobicContact CD1-CD1 4.46Å; L59-I63 HydrophobicContact CG-CD1 4.19Å; L59-I63 WeakPolarHBondContact O-CG1 3.48Å; L59-I63 PolarHBondContact O-N 3.42Å; L59-F71 HydrophobicContact CB-CD2 4Å; L59-F71 HydrophobicContact CB-CE2 3.91Å; L59-F71 HydrophobicContact CD1-CD2 4.19Å; L59-F71 HydrophobicContact CD1-CE2 3.84Å; L59-F71 HydrophobicContact CD1-CZ 4.32Å; L59-F71 HydrophobicContact CG-CE2 4.37Å |
| 60 | A | 81.4 | Confident | 78 | Confident | 21 Ų | 21 | 42 Ų | 42 | 17% | 0.174 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -63.2 | -36.1 | 174.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | V56 G57 I63 G64 V158 | V56-A60 PolarHBondContact O-N 3.14Å; G57-A60 PolarHBondContact O-N 3.05Å; A60-I63 PolarHBondContact O-N 2.6Å; A60-G64 PolarHBondContact O-N 2.88Å; A60-V158 HydrophobicContact CB-CB 3.91Å; A60-V158 HydrophobicContact CB-CG1 3.59Å; A60-V158 HydrophobicContact CB-CG2 4.41Å |
| 61 | W | 76.2 | Confident | 77.7 | Confident | 36 Ų | 36 | 44.9 Ų | 44.9 | 14% | 0.136 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -60.6 | -46.2 | 171 | 176.1 | -89.6 | 0 | 0 | 0 | 112.4 | G57 C58 L59 I63 G64 G66 N70 F148 M159 | G57-W61 PolarHBondContact O-N 3.39Å; C58-W61 WeakPolarHBondContact O-CB 3.22Å; C58-W61 PolarHBondContact O-N 3.32Å; L59-W61 VanDerWaalsContact C-N 3.29Å; L59-W61 PolarHBondContact O-N 3.2Å; W61-I63 VanDerWaalsContact C-N 3.33Å; W61-I63 PolarHBondContact O-N 2.95Å; W61-G64 CarbonylContact O-C 3.52Å; W61-G64 PolarHBondContact O-N 3.35Å; W61-G66 VanDerWaalsContact CD1-CA 3.48Å; W61-G66 WeakPolarHBondContact O-CA 3.49Å; W61-G66 PolarHBondContact O-N 3.49Å; W61-N70 PolarHBondContact NE1-ND2 2.9Å; W61-F148 HydrophobicContact CD2-CD1 4.45Å; W61-F148 HydrophobicContact CD2-CD2 4.35Å; W61-F148 HydrophobicContact CD2-CE1 4.08Å; W61-F148 AromaticContact CD2-CE2 4Å; W61-F148 HydrophobicContact CD2-CE2 4Å; W61-F148 AromaticContact CD2-CZ 3.86Å; W61-F148 HydrophobicContact CD2-CZ 3.86Å; W61-F148 HydrophobicContact CE3-CB 4.19Å; W61-F148 AromaticContact CE3-CD1 3.43Å; W61-F148 HydrophobicContact CE3-CD1 3.43Å; W61-F148 VanDerWaalsContact CE3-CD1 3.43Å; W61-F148 AromaticContact CE3-CD2 3.59Å; W61-F148 HydrophobicContact CE3-CD2 3.59Å; W61-F148 AromaticContact CE3-CE1 3.46Å; W61-F148 HydrophobicContact CE3-CE1 3.46Å; W61-F148 VanDerWaalsContact CE3-CE1 3.46Å; W61-F148 AromaticContact CE3-CE2 3.64Å; W61-F148 HydrophobicContact CE3-CE2 3.64Å; W61-F148 AromaticContact CE3-CG 3.48Å; W61-F148 HydrophobicContact CE3-CG 3.48Å; W61-F148 VanDerWaalsContact CE3-CG 3.48Å; W61-F148 AromaticContact CE3-CZ 3.58Å; W61-F148 HydrophobicContact CE3-CZ 3.58Å; W61-F148 HydrophobicContact CH2-CB 4.1Å; W61-F148 AromaticContact CH2-CD2 3.22Å; W61-F148 HydrophobicContact CH2-CD2 3.22Å; W61-F148 AromaticContact CH2-CE2 3.61Å; W61-F148 HydrophobicContact CH2-CE2 3.61Å; W61-F148 AromaticContact CH2-CG 3.74Å; W61-F148 HydrophobicContact CH2-CG 3.74Å; W61-F148 HydrophobicContact CH2-CZ 4.39Å; W61-F148 AromaticContact CZ2-CD2 3.9Å; W61-F148 HydrophobicContact CZ2-CD2 3.9Å; W61-F148 AromaticContact CZ2-CE2 3.78Å; W61-F148 HydrophobicContact CZ2-CE2 3.78Å; W61-F148 HydrophobicContact CZ2-CZ 4.46Å; W61-F148 HydrophobicContact CZ3-CB 3.42Å; W61-F148 VanDerWaalsContact CZ3-CB 3.42Å; W61-F148 AromaticContact CZ3-CD1 3.57Å; W61-F148 HydrophobicContact CZ3-CD1 3.57Å; W61-F148 AromaticContact CZ3-CD2 3.08Å; W61-F148 HydrophobicContact CZ3-CD2 3.08Å; W61-F148 AromaticContact CZ3-CE1 3.98Å; W61-F148 HydrophobicContact CZ3-CE1 3.98Å; W61-F148 AromaticContact CZ3-CE2 3.58Å; W61-F148 HydrophobicContact CZ3-CE2 3.58Å; W61-F148 AromaticContact CZ3-CG 3.08Å; W61-F148 HydrophobicContact CZ3-CG 3.08Å; W61-F148 HydrophobicContact CZ3-CZ 4.01Å; W61-M159 HydrophobicContact CB-SD 4Å; W61-M159 HydrophobicContact CD2-CE 4.37Å; W61-M159 HydrophobicContact CD2-SD 4.07Å; W61-M159 HydrophobicContact CE3-CE 3.62Å; W61-M159 HydrophobicContact CE3-SD 3.18Å; W61-M159 HydrophobicContact CG-SD 4.44Å; W61-M159 HydrophobicContact CZ3-CE 3.81Å; W61-M159 HydrophobicContact CZ3-SD 3.77Å |
| 62 | L | 80.9 | Confident | 77.4 | Confident | 64 Ų | 64 | 46.8 Ų | 46.8 | 34% | 0.335 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -60.4 | -43.5 | 178.3 | 179.2 | 59.7 | 0 | 0 | 0 | 111.6 | C58 L59 G64 G65 A68 F71 | C58-L62 PolarHBondContact O-N 3.35Å; L59-L62 WeakPolarHBondContact O-CB 3Å; L59-L62 PolarHBondContact O-N 3.2Å; L62-G64 VanDerWaalsContact C-N 3.34Å; L62-G65 PolarHBondContact O-N 3.5Å; L62-A68 HydrophobicContact CD1-CB 3.73Å; L62-F71 HydrophobicContact CD2-CB 4.33Å; L62-F71 HydrophobicContact CD2-CD1 4.42Å; L62-F71 HydrophobicContact CD2-CG 4.32Å |
| 63 | I | 81.6 | Confident | 76.9 | Confident | 135 Ų | 135 | 47 Ų | 47 | 69% | 0.692 | 31% | 0.306 | S | S | * | . | H | α-helix | trans | -68.9 | -35 | 177.6 | -63.2 | 166.6 | 0 | 0 | 0 | 111 | L59 A60 W61 G65 | L59-I63 HydrophobicContact CD1-CD1 4.46Å; L59-I63 HydrophobicContact CG-CD1 4.19Å; L59-I63 WeakPolarHBondContact O-CG1 3.48Å; L59-I63 PolarHBondContact O-N 3.42Å; A60-I63 PolarHBondContact O-N 2.6Å; W61-I63 VanDerWaalsContact C-N 3.33Å; W61-I63 PolarHBondContact O-N 2.95Å; I63-G65 PolarHBondContact O-N 2.87Å; I63-G65 VanDerWaalsContact O-N 3.11Å |
| 64 | G | 72.6 | Confident | 76.4 | Confident | 13 Ų | 13 | 45.2 Ų | 45.2 | 13% | 0.134 | 30% | 0.295 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -75.9 | 19.9 | 176.3 | 0 | 0 | 0 | 0 | 0 | 115.1 | A60 W61 L62 N152 | A60-G64 PolarHBondContact O-N 2.88Å; W61-G64 CarbonylContact O-C 3.52Å; W61-G64 PolarHBondContact O-N 3.35Å; L62-G64 VanDerWaalsContact C-N 3.34Å; G64-N152 PolarHBondContact O-ND2 3.38Å |
| 65 | G | 71.3 | Confident | 76.2 | Confident | 71 Ų | 71 | 50.2 Ų | 50.2 | 73% | 0.732 | 32% | 0.317 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 81.6 | 11.6 | 177.1 | 0 | 0 | 0 | 0 | 0 | 115.1 | L62 I63 | L62-G65 PolarHBondContact O-N 3.5Å; I63-G65 PolarHBondContact O-N 2.87Å; I63-G65 VanDerWaalsContact O-N 3.11Å |
| 66 | G | 68.4 | Low | 76 | Confident | 11 Ų | 11 | 53 Ų | 53 | 11% | 0.113 | 33% | 0.331 | C | S | . | . | trans | -87 | 157.9 | 176.1 | 0 | 0 | 0 | 0 | 0 | 113.6 | W61 | W61-G66 VanDerWaalsContact CD1-CA 3.48Å; W61-G66 WeakPolarHBondContact O-CA 3.49Å; W61-G66 PolarHBondContact O-N 3.49Å | ||
| 67 | G | 71.4 | Confident | 75.5 | Confident | 46 Ų | 46 | 49.2 Ų | 49.2 | 47% | 0.474 | 31% | 0.308 | S | S | . | . | trans | -64.5 | 142 | -176.5 | 0 | 0 | 0 | 0 | 0 | 115.3 | T69 N70 | G67-T69 VanDerWaalsContact C-N 3.28Å; G67-T69 PolarHBondContact O-N 2.95Å; G67-N70 PolarHBondContact O-N 3.21Å | ||
| 68 | A | 73.8 | Confident | 75.4 | Confident | 60 Ų | 60 | 51.1 Ų | 51.1 | 50% | 0.496 | 32% | 0.317 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -68.3 | -18.9 | -178.1 | 0 | 0 | 0 | 0 | 0 | 115.3 | L62 N70 F71 G72 | L62-A68 HydrophobicContact CD1-CB 3.73Å; A68-N70 PolarHBondContact O-N 3.41Å; A68-F71 PolarHBondContact O-N 2.87Å; A68-F71 VanDerWaalsContact O-N 3.1Å; A68-G72 PolarHBondContact O-N 3.43Å; A68-G72 VanDerWaalsContact O-N 3.1Å |
| 69 | T | 71.8 | Confident | 75.5 | Confident | 104 Ų | 104 | 55.6 Ų | 55.6 | 64% | 0.638 | 34% | 0.341 | S | S | * | . | H | α-helix | trans | -54.4 | -38.2 | 176.7 | -48.3 | 0 | 0 | 0 | 0 | 111.8 | G67 F71 G72 L73 | G67-T69 VanDerWaalsContact C-N 3.28Å; G67-T69 PolarHBondContact O-N 2.95Å; T69-F71 PolarHBondContact O-N 3.48Å; T69-G72 PolarHBondContact O-N 3.06Å; T69-L73 HydrophobicContact CG2-CD1 3.83Å; T69-L73 WeakPolarHBondContact O-CB 3.31Å; T69-L73 WeakPolarHBondContact O-CD1 3.19Å; T69-L73 VanDerWaalsContact O-CG 3.27Å; T69-L73 WeakPolarHBondContact O-CG 3.36Å; T69-L73 PolarHBondContact O-N 3.39Å |
| 70 | N | 69.6 | Low | 75.2 | Confident | 42 Ų | 42 | 57 Ų | 57 | 23% | 0.225 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -65.5 | -37.9 | -179.9 | -75.6 | -15.9 | 0 | 0 | 0 | 113.1 | W61 G67 A68 A74 C139 | W61-N70 PolarHBondContact NE1-ND2 2.9Å; G67-N70 PolarHBondContact O-N 3.21Å; A68-N70 PolarHBondContact O-N 3.41Å; N70-A74 WeakPolarHBondContact O-CB 3.45Å; N70-A74 PolarHBondContact O-N 3.23Å; N70-A74 VanDerWaalsContact O-N 3.09Å; N70-C139 WeakPolarHBondContact CA-SG 3.3Å; N70-C139 HydrophobicContact CB-CB 3.99Å; N70-C139 WeakPolarHBondContact CB-SG 3.31Å; N70-C139 PolarHBondContact OD1-SG 3.45Å |
| 71 | F | 75.7 | Confident | 74.7 | Confident | 62 Ų | 62 | 57.1 Ų | 57.1 | 27% | 0.272 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -71.7 | -46.1 | 176.8 | 177.2 | -101.6 | 0 | 0 | 0 | 111.8 | L55 C58 L59 L62 A68 T69 L73 A74 F75 | L55-F71 HydrophobicContact CD1-CD2 3.88Å; L55-F71 HydrophobicContact CD1-CE2 3.54Å; L55-F71 HydrophobicContact CD1-CZ 4.17Å; L55-F71 HydrophobicContact CG-CE2 4.18Å; C58-F71 HydrophobicContact CB-CB 4.42Å; C58-F71 HydrophobicContact CB-CD2 4.48Å; L59-F71 HydrophobicContact CB-CD2 4Å; L59-F71 HydrophobicContact CB-CE2 3.91Å; L59-F71 HydrophobicContact CD1-CD2 4.19Å; L59-F71 HydrophobicContact CD1-CE2 3.84Å; L59-F71 HydrophobicContact CD1-CZ 4.32Å; L59-F71 HydrophobicContact CG-CE2 4.37Å; L62-F71 HydrophobicContact CD2-CB 4.33Å; L62-F71 HydrophobicContact CD2-CD1 4.42Å; L62-F71 HydrophobicContact CD2-CG 4.32Å; A68-F71 PolarHBondContact O-N 2.87Å; A68-F71 VanDerWaalsContact O-N 3.1Å; T69-F71 PolarHBondContact O-N 3.48Å; F71-L73 VanDerWaalsContact C-N 3.31Å; F71-L73 PolarHBondContact O-N 3.47Å; F71-A74 PolarHBondContact O-N 2.93Å; F71-F75 PolarHBondContact O-N 2.99Å |
| 72 | G | 74.4 | Confident | 74.4 | Confident | 41 Ų | 41 | 57.3 Ų | 57.3 | 42% | 0.423 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -60.8 | -39.9 | 177.9 | 0 | 0 | 0 | 0 | 0 | 112.8 | A68 T69 L76 | A68-G72 PolarHBondContact O-N 3.43Å; A68-G72 VanDerWaalsContact O-N 3.1Å; T69-G72 PolarHBondContact O-N 3.06Å; G72-L76 WeakPolarHBondContact O-CB 3.39Å; G72-L76 PolarHBondContact O-N 3.34Å |
| 73 | L | 72.9 | Confident | 74 | Confident | 46 Ų | 46 | 57.6 Ų | 57.6 | 24% | 0.241 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -66.5 | -50.1 | 174.7 | -68.9 | 165.7 | 0 | 0 | 0 | 110.8 | T69 F71 F75 L76 W77 S137 | T69-L73 HydrophobicContact CG2-CD1 3.83Å; T69-L73 WeakPolarHBondContact O-CB 3.31Å; T69-L73 WeakPolarHBondContact O-CD1 3.19Å; T69-L73 VanDerWaalsContact O-CG 3.27Å; T69-L73 WeakPolarHBondContact O-CG 3.36Å; T69-L73 PolarHBondContact O-N 3.39Å; F71-L73 VanDerWaalsContact C-N 3.31Å; F71-L73 PolarHBondContact O-N 3.47Å; L73-F75 PolarHBondContact O-N 2.87Å; L73-F75 VanDerWaalsContact O-N 3.15Å; L73-L76 PolarHBondContact O-N 2.97Å; L73-L76 VanDerWaalsContact O-N 3.08Å; L73-W77 WeakPolarHBondContact O-CB 3.34Å; L73-W77 PolarHBondContact O-N 3.26Å; L73-S137 VanDerWaalsContact CD1-CB 3.49Å |
| 74 | A | 72.6 | Confident | 73.5 | Confident | 1 Ų | 1 | 53.8 Ų | 53.8 | 1% | 0.008 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -55.3 | -37.4 | 177.9 | 0 | 0 | 0 | 0 | 0 | 113.2 | L55 C58 N70 F71 L78 | L55-A74 HydrophobicContact CD1-CB 4.13Å; C58-A74 HydrophobicContact CB-CB 3.94Å; N70-A74 WeakPolarHBondContact O-CB 3.45Å; N70-A74 PolarHBondContact O-N 3.23Å; N70-A74 VanDerWaalsContact O-N 3.09Å; F71-A74 PolarHBondContact O-N 2.93Å; A74-L78 WeakPolarHBondContact O-CB 3.35Å; A74-L78 PolarHBondContact O-N 3.46Å |
| 75 | F | 78.8 | Confident | 73.3 | Confident | 106 Ų | 106 | 53.3 Ų | 53.3 | 47% | 0.465 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -67.8 | -46.8 | 175.7 | -172.9 | -99.7 | 0 | 0 | 0 | 112.7 | L55 F71 L73 W77 L78 I79 | L55-F75 HydrophobicContact CD1-CB 3.86Å; L55-F75 HydrophobicContact CD1-CD2 4.22Å; L55-F75 HydrophobicContact CD2-CD2 4.04Å; F71-F75 PolarHBondContact O-N 2.99Å; L73-F75 PolarHBondContact O-N 2.87Å; L73-F75 VanDerWaalsContact O-N 3.15Å; F75-W77 VanDerWaalsContact C-N 3.31Å; F75-W77 PolarHBondContact O-N 3.4Å; F75-L78 PolarHBondContact O-N 3.26Å; F75-I79 HydrophobicContact CD1-CD1 4.03Å; F75-I79 HydrophobicContact CE1-CD1 3.36Å; F75-I79 HydrophobicContact CE1-CG1 4.46Å; F75-I79 HydrophobicContact CE2-CD1 4.26Å; F75-I79 HydrophobicContact CZ-CD1 3.51Å; F75-I79 PolarHBondContact O-N 3.03Å; F75-I79 VanDerWaalsContact O-N 3.12Å |
| 76 | L | 80.2 | Confident | 73.2 | Confident | 92 Ų | 92 | 52.9 Ų | 52.9 | 48% | 0.482 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -58.8 | -45.3 | 175.3 | -175.1 | 156.2 | 0 | 0 | 0 | 110.9 | G72 L73 I79 L80 | G72-L76 WeakPolarHBondContact O-CB 3.39Å; G72-L76 PolarHBondContact O-N 3.34Å; L73-L76 PolarHBondContact O-N 2.97Å; L73-L76 VanDerWaalsContact O-N 3.08Å; L76-I79 PolarHBondContact O-N 3.3Å; L76-L80 HydrophobicContact CD2-CB 4.4Å; L76-L80 HydrophobicContact CD2-CD2 4.13Å; L76-L80 VanDerWaalsContact O-CB 3.25Å; L76-L80 WeakPolarHBondContact O-CB 3.37Å; L76-L80 PolarHBondContact O-N 2.67Å |
| 77 | W | 73.5 | Confident | 73.2 | Confident | 8 Ų | 8 | 56 Ų | 56 | 3% | 0.03 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -62.4 | -42.3 | 177.5 | -82.3 | 91.2 | 0 | 0 | 0 | 111.7 | L73 F75 I79 L80 F81 I118 T134 S137 | L73-W77 WeakPolarHBondContact O-CB 3.34Å; L73-W77 PolarHBondContact O-N 3.26Å; F75-W77 VanDerWaalsContact C-N 3.31Å; F75-W77 PolarHBondContact O-N 3.4Å; W77-I79 VanDerWaalsContact C-N 3.35Å; W77-I79 PolarHBondContact O-N 3.48Å; W77-L80 PolarHBondContact O-N 2.95Å; W77-F81 AromaticContact CD2-CD2 3.9Å; W77-F81 HydrophobicContact CD2-CD2 3.9Å; W77-F81 AromaticContact CD2-CE2 3.96Å; W77-F81 HydrophobicContact CD2-CE2 3.96Å; W77-F81 HydrophobicContact CE3-CD1 4.14Å; W77-F81 AromaticContact CE3-CD2 3.07Å; W77-F81 HydrophobicContact CE3-CD2 3.07Å; W77-F81 HydrophobicContact CE3-CE1 4.15Å; W77-F81 AromaticContact CE3-CE2 3.11Å; W77-F81 HydrophobicContact CE3-CE2 3.11Å; W77-F81 AromaticContact CE3-CG 3.65Å; W77-F81 HydrophobicContact CE3-CG 3.65Å; W77-F81 AromaticContact CE3-CZ 3.69Å; W77-F81 HydrophobicContact CE3-CZ 3.69Å; W77-F81 HydrophobicContact CH2-CD2 4.31Å; W77-F81 HydrophobicContact CH2-CE1 4.46Å; W77-F81 AromaticContact CH2-CE2 3.46Å; W77-F81 HydrophobicContact CH2-CE2 3.46Å; W77-F81 VanDerWaalsContact CH2-CE2 3.46Å; W77-F81 AromaticContact CH2-CZ 3.55Å; W77-F81 HydrophobicContact CH2-CZ 3.55Å; W77-F81 HydrophobicContact CZ2-CE2 4.25Å; W77-F81 HydrophobicContact CZ3-CD1 4.01Å; W77-F81 AromaticContact CZ3-CD2 3.38Å; W77-F81 HydrophobicContact CZ3-CD2 3.38Å; W77-F81 AromaticContact CZ3-CE1 3.56Å; W77-F81 HydrophobicContact CZ3-CE1 3.56Å; W77-F81 AromaticContact CZ3-CE2 2.86Å; W77-F81 HydrophobicContact CZ3-CE2 2.86Å; W77-F81 AromaticContact CZ3-CG 3.94Å; W77-F81 HydrophobicContact CZ3-CG 3.94Å; W77-F81 AromaticContact CZ3-CZ 2.97Å; W77-F81 HydrophobicContact CZ3-CZ 2.97Å; W77-F81 VanDerWaalsContact O-CB 3.24Å; W77-F81 WeakPolarHBondContact O-CB 3.38Å; W77-F81 PolarHBondContact O-N 3.5Å; W77-I118 HydrophobicContact CZ3-CG2 4.24Å; W77-T134 WeakPolarHBondContact CZ2-O 3.49Å; W77-S137 PolarHBondContact NE1-OG 3.08Å |
| 78 | L | 77.3 | Confident | 73 | Confident | 41 Ų | 41 | 56 Ų | 56 | 22% | 0.215 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -58.2 | -47 | 175.7 | -173.9 | 152.4 | 0 | 0 | 0 | 111.7 | A52 L55 A74 F75 T82 | A52-L78 HydrophobicContact CB-CD1 4.12Å; L55-L78 HydrophobicContact CB-CD1 4.29Å; L55-L78 HydrophobicContact CD2-CD1 4.06Å; A74-L78 WeakPolarHBondContact O-CB 3.35Å; A74-L78 PolarHBondContact O-N 3.46Å; F75-L78 PolarHBondContact O-N 3.26Å; L78-T82 WeakPolarHBondContact O-CB 3.35Å; L78-T82 PolarHBondContact O-N 2.91Å; L78-T82 PolarHBondContact O-OG1 2.96Å |
| 79 | I | 78 | Confident | 72.7 | Confident | 95 Ų | 95 | 53.4 Ų | 53.4 | 49% | 0.487 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -73.1 | -35.7 | -177.6 | -67.6 | -179.4 | 0 | 0 | 0 | 112.1 | F75 L76 W77 P83 | F75-I79 HydrophobicContact CD1-CD1 4.03Å; F75-I79 HydrophobicContact CE1-CD1 3.36Å; F75-I79 HydrophobicContact CE1-CG1 4.46Å; F75-I79 HydrophobicContact CE2-CD1 4.26Å; F75-I79 HydrophobicContact CZ-CD1 3.51Å; F75-I79 PolarHBondContact O-N 3.03Å; F75-I79 VanDerWaalsContact O-N 3.12Å; L76-I79 PolarHBondContact O-N 3.3Å; W77-I79 VanDerWaalsContact C-N 3.35Å; W77-I79 PolarHBondContact O-N 3.48Å; I79-P83 WeakPolarHBondContact O-CD 3.33Å; I79-P83 WeakPolarHBondContact O-CG 3.24Å |
| 80 | L | 76 | Confident | 72.5 | Confident | 101 Ų | 101 | 48.7 Ų | 48.7 | 53% | 0.529 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -84.3 | -45.8 | -176.6 | -171.1 | 66.6 | 0 | 0 | 0 | 112.3 | L76 W77 P83 C84 | L76-L80 HydrophobicContact CD2-CB 4.4Å; L76-L80 HydrophobicContact CD2-CD2 4.13Å; L76-L80 VanDerWaalsContact O-CB 3.25Å; L76-L80 WeakPolarHBondContact O-CB 3.37Å; L76-L80 PolarHBondContact O-N 2.67Å; W77-L80 PolarHBondContact O-N 2.95Å; L80-P83 WeakPolarHBondContact O-CD 3.3Å; L80-C84 WeakPolarHBondContact O-CB 3.11Å; L80-C84 PolarHBondContact O-N 3.04Å |
| 81 | F | 71.2 | Confident | 72.4 | Confident | 25 Ų | 25 | 54.6 Ų | 54.6 | 11% | 0.11 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -76.1 | -27.8 | -176.1 | -90.6 | -106.5 | 0 | 0 | 0 | 113.6 | L51 W77 S85 I118 | L51-F81 HydrophobicContact CD1-CB 3.9Å; W77-F81 AromaticContact CD2-CD2 3.9Å; W77-F81 HydrophobicContact CD2-CD2 3.9Å; W77-F81 AromaticContact CD2-CE2 3.96Å; W77-F81 HydrophobicContact CD2-CE2 3.96Å; W77-F81 HydrophobicContact CE3-CD1 4.14Å; W77-F81 AromaticContact CE3-CD2 3.07Å; W77-F81 HydrophobicContact CE3-CD2 3.07Å; W77-F81 HydrophobicContact CE3-CE1 4.15Å; W77-F81 AromaticContact CE3-CE2 3.11Å; W77-F81 HydrophobicContact CE3-CE2 3.11Å; W77-F81 AromaticContact CE3-CG 3.65Å; W77-F81 HydrophobicContact CE3-CG 3.65Å; W77-F81 AromaticContact CE3-CZ 3.69Å; W77-F81 HydrophobicContact CE3-CZ 3.69Å; W77-F81 HydrophobicContact CH2-CD2 4.31Å; W77-F81 HydrophobicContact CH2-CE1 4.46Å; W77-F81 AromaticContact CH2-CE2 3.46Å; W77-F81 HydrophobicContact CH2-CE2 3.46Å; W77-F81 VanDerWaalsContact CH2-CE2 3.46Å; W77-F81 AromaticContact CH2-CZ 3.55Å; W77-F81 HydrophobicContact CH2-CZ 3.55Å; W77-F81 HydrophobicContact CZ2-CE2 4.25Å; W77-F81 HydrophobicContact CZ3-CD1 4.01Å; W77-F81 AromaticContact CZ3-CD2 3.38Å; W77-F81 HydrophobicContact CZ3-CD2 3.38Å; W77-F81 AromaticContact CZ3-CE1 3.56Å; W77-F81 HydrophobicContact CZ3-CE1 3.56Å; W77-F81 AromaticContact CZ3-CE2 2.86Å; W77-F81 HydrophobicContact CZ3-CE2 2.86Å; W77-F81 AromaticContact CZ3-CG 3.94Å; W77-F81 HydrophobicContact CZ3-CG 3.94Å; W77-F81 AromaticContact CZ3-CZ 2.97Å; W77-F81 HydrophobicContact CZ3-CZ 2.97Å; W77-F81 VanDerWaalsContact O-CB 3.24Å; W77-F81 WeakPolarHBondContact O-CB 3.38Å; W77-F81 PolarHBondContact O-N 3.5Å; F81-S85 WeakPolarHBondContact O-CB 3.46Å; F81-S85 PolarHBondContact O-N 3.45Å; F81-S85 PolarHBondContact O-OG 3.1Å; F81-I118 HydrophobicContact CE1-CD1 4.11Å; F81-I118 HydrophobicContact CE1-CG2 4.37Å; F81-I118 HydrophobicContact CZ-CD1 4.28Å |
| 82 | T | 70.8 | Confident | 72 | Confident | 39 Ų | 39 | 52.9 Ų | 52.9 | 24% | 0.239 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -61.6 | -54.6 | 177 | -60.4 | 0 | 0 | 0 | 0 | 112.7 | L78 S85 Y86 | L78-T82 WeakPolarHBondContact O-CB 3.35Å; L78-T82 PolarHBondContact O-N 2.91Å; L78-T82 PolarHBondContact O-OG1 2.96Å; T82-S85 PolarHBondContact O-OG 3.27Å; T82-Y86 PolarHBondContact O-N 2.81Å |
| 83 | P | 71.9 | Confident | 71.6 | Confident | 71 Ų | 71 | 51 Ų | 51 | 46% | 0.461 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -73.1 | -35.9 | 176.4 | 28.9 | -34.4 | 0 | 0 | 0 | 112.5 | I79 L80 Y86 V87 | I79-P83 WeakPolarHBondContact O-CD 3.33Å; I79-P83 WeakPolarHBondContact O-CG 3.24Å; L80-P83 WeakPolarHBondContact O-CD 3.3Å; P83-Y86 PolarHBondContact O-N 3.19Å; P83-V87 WeakPolarHBondContact O-CG2 3.47Å; P83-V87 PolarHBondContact O-N 3.48Å |
| 84 | C | 70.8 | Confident | 71.2 | Confident | 54 Ų | 54 | 50.3 Ų | 50.3 | 37% | 0.365 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -61 | -48.2 | 177.7 | -177.6 | 0 | 0 | 0 | 0 | 110.8 | L80 Y86 V87 C88 | L80-C84 WeakPolarHBondContact O-CB 3.11Å; L80-C84 PolarHBondContact O-N 3.04Å; C84-Y86 VanDerWaalsContact C-N 3.33Å; C84-Y86 PolarHBondContact O-N 3.35Å; C84-V87 PolarHBondContact O-N 3.12Å; C84-C88 WeakPolarHBondContact O-CB 3.21Å; C84-C88 PolarHBondContact O-N 3.23Å; C84-C88 PolarHBondContact O-SG 3.27Å; C84-C88 VanDerWaalsContact SG-SG 3.64Å |
| 85 | S | 69.9 | Low | 70.8 | Confident | 3 Ų | 3 | 55.7 Ų | 55.7 | 2% | 0.021 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -59.9 | -42.9 | 177 | 69.4 | 0 | 0 | 0 | 0 | 111.5 | W44 F81 T82 V87 C88 W89 | W44-S85 PolarHBondContact NE1-OG 2.9Å; F81-S85 WeakPolarHBondContact O-CB 3.46Å; F81-S85 PolarHBondContact O-N 3.45Å; F81-S85 PolarHBondContact O-OG 3.1Å; T82-S85 PolarHBondContact O-OG 3.27Å; S85-V87 PolarHBondContact O-N 3.49Å; S85-C88 PolarHBondContact O-N 3.36Å; S85-W89 PolarHBondContact O-N 3.28Å; S85-W89 VanDerWaalsContact O-N 3.09Å; S85-W89 PolarHBondContact O-NE1 3.08Å |
| 86 | Y | 68.4 | Low | 70.2 | Confident | 63 Ų | 63 | 50.7 Ų | 50.7 | 25% | 0.247 | 26% | 0.258 | C | S | . | . | I | π-helix | trans | -58.7 | -45.4 | 175.9 | -176 | -100.7 | 0 | 0 | 0 | 112.9 | W44 T82 P83 C84 F90 R91 | W44-Y86 HydrophobicContact CD2-CD2 4.47Å; W44-Y86 AromaticContact CE2-CD2 3.86Å; W44-Y86 AromaticContact CH2-CD2 3.96Å; W44-Y86 HydrophobicContact CH2-CD2 3.96Å; W44-Y86 HydrophobicContact CH2-CE2 4.48Å; W44-Y86 AromaticContact CZ2-CD2 3.59Å; W44-Y86 HydrophobicContact CZ2-CD2 3.59Å; W44-Y86 HydrophobicContact CZ2-CG 4.13Å; T82-Y86 PolarHBondContact O-N 2.81Å; P83-Y86 PolarHBondContact O-N 3.19Å; C84-Y86 VanDerWaalsContact C-N 3.33Å; C84-Y86 PolarHBondContact O-N 3.35Å; Y86-F90 HydrophobicContact CD2-CB 3.99Å; Y86-F90 AromaticContact CD2-CD1 3.63Å; Y86-F90 HydrophobicContact CD2-CD1 3.63Å; Y86-F90 HydrophobicContact CD2-CE1 4.39Å; Y86-F90 AromaticContact CD2-CG 3.97Å; Y86-F90 HydrophobicContact CD2-CG 3.97Å; Y86-F90 HydrophobicContact CE2-CB 4.4Å; Y86-F90 AromaticContact CE2-CD1 3.15Å; Y86-F90 HydrophobicContact CE2-CD1 3.15Å; Y86-F90 AromaticContact CE2-CE1 3.56Å; Y86-F90 HydrophobicContact CE2-CE1 3.56Å; Y86-F90 AromaticContact CE2-CG 3.95Å; Y86-F90 HydrophobicContact CE2-CG 3.95Å; Y86-F90 AromaticContact CZ-CD1 3.79Å; Y86-F90 VanDerWaalsContact O-CB 3.31Å; Y86-F90 WeakPolarHBondContact O-CB 3.32Å; Y86-F90 PolarHBondContact O-N 3.03Å; Y86-R91 PolarHBondContact O-N 2.95Å |
| 87 | V | 68.6 | Low | 69.4 | Low | 75 Ų | 75 | 46.6 Ų | 46.6 | 46% | 0.455 | 24% | 0.237 | S | C | . | . | I | π-helix | trans | -73.3 | -39 | -178.9 | 176.4 | 0 | 0 | 0 | 0 | 112.2 | P83 C84 S85 P92 | P83-V87 WeakPolarHBondContact O-CG2 3.47Å; P83-V87 PolarHBondContact O-N 3.48Å; C84-V87 PolarHBondContact O-N 3.12Å; S85-V87 PolarHBondContact O-N 3.49Å; V87-P92 WeakPolarHBondContact O-CD 3.45Å |
| 88 | C | 66.3 | Low | 68.8 | Low | 48 Ų | 48 | 51.5 Ų | 51.5 | 32% | 0.324 | 26% | 0.258 | S | S | . | . | I | π-helix | trans | -83.9 | -25.1 | -169.2 | -72.3 | 0 | 0 | 0 | 0 | 114.1 | C84 S85 P92 T111 | C84-C88 WeakPolarHBondContact O-CB 3.21Å; C84-C88 PolarHBondContact O-N 3.23Å; C84-C88 PolarHBondContact O-SG 3.27Å; C84-C88 VanDerWaalsContact SG-SG 3.64Å; S85-C88 PolarHBondContact O-N 3.36Å; C88-P92 WeakPolarHBondContact O-CG 3.28Å; C88-T111 HydrophobicContact CB-CG2 3.78Å; C88-T111 PolarHBondContact O-OG1 3Å |
| 89 | W | 67.6 | Low | 67.8 | Low | 5 Ų | 5 | 53.6 Ų | 53.6 | 2% | 0.019 | 27% | 0.273 | C | S | . | . | I | π-helix | trans | -132.8 | -35.1 | 178.2 | 76.3 | -88.2 | 0 | 0 | 0 | 114.6 | L40 L43 W44 S85 P92 I93 F108 F112 | L40-W89 HydrophobicContact CB-CZ3 3.98Å; L40-W89 HydrophobicContact CD2-CE3 4.38Å; L40-W89 HydrophobicContact CD2-CZ3 3.67Å; L40-W89 HydrophobicContact CG-CZ3 4.46Å; L40-W89 WeakPolarHBondContact O-CH2 3.18Å; L43-W89 HydrophobicContact CB-CH2 4.26Å; L43-W89 HydrophobicContact CD2-CH2 3.57Å; L43-W89 HydrophobicContact CD2-CZ2 4.12Å; L43-W89 HydrophobicContact CD2-CZ3 4.4Å; W44-W89 VanDerWaalsContact CA-CZ2 3.41Å; W44-W89 HydrophobicContact CB-CH2 3.67Å; W44-W89 HydrophobicContact CB-CZ2 3.32Å; W44-W89 AromaticContact CD1-CE2 3.86Å; W44-W89 AromaticContact CD1-CZ2 3.81Å; W44-W89 AromaticContact CD1-NE1 3.65Å; W44-W89 AromaticContact CG-CZ2 3.96Å; W44-W89 HydrophobicContact CG-CZ2 3.96Å; S85-W89 PolarHBondContact O-N 3.28Å; S85-W89 VanDerWaalsContact O-N 3.09Å; S85-W89 PolarHBondContact O-NE1 3.08Å; W89-P92 WeakPolarHBondContact O-CD 3.01Å; W89-I93 WeakPolarHBondContact O-CB 3.37Å; W89-I93 WeakPolarHBondContact O-CG2 3.31Å; W89-I93 PolarHBondContact O-N 3.46Å; W89-I93 VanDerWaalsContact O-N 3.12Å; W89-F108 HydrophobicContact CB-CD2 4.18Å; W89-F108 HydrophobicContact CB-CE2 4.39Å; W89-F108 HydrophobicContact CE3-CD2 4.47Å; W89-F108 AromaticContact CE3-CE2 3.78Å; W89-F108 HydrophobicContact CE3-CE2 3.78Å; W89-F108 HydrophobicContact CZ3-CE2 4.44Å; W89-F112 HydrophobicContact CB-CD2 4.49Å; W89-F112 HydrophobicContact CD2-CD2 4.11Å; W89-F112 HydrophobicContact CD2-CE2 4.23Å; W89-F112 AromaticContact CE3-CD2 3.93Å; W89-F112 HydrophobicContact CE3-CD2 3.93Å; W89-F112 AromaticContact CE3-CE2 3.88Å; W89-F112 HydrophobicContact CE3-CE2 3.88Å; W89-F112 HydrophobicContact CG-CD2 4.39Å; W89-F112 AromaticContact CH2-CE2 3.96Å; W89-F112 HydrophobicContact CH2-CE2 3.96Å; W89-F112 HydrophobicContact CZ2-CE2 4.36Å; W89-F112 HydrophobicContact CZ3-CD2 4.26Å; W89-F112 AromaticContact CZ3-CE2 3.73Å; W89-F112 HydrophobicContact CZ3-CE2 3.73Å |
| 90 | F | 67.9 | Low | 66.9 | Low | 4 Ų | 4 | 53.8 Ų | 53.8 | 2% | 0.018 | 28% | 0.275 | C | S | . | . | I | π-helix | trans | -70.2 | -40.7 | 178.4 | -173.4 | -95.9 | 0 | 0 | 0 | 112.1 | F25 Y41 Y86 I93 Y94 | F25-F90 HydrophobicContact CE1-CZ 4.39Å; F25-F90 HydrophobicContact CZ-CZ 4.21Å; Y41-F90 AromaticContact CD2-CE2 3.64Å; Y41-F90 HydrophobicContact CD2-CE2 3.64Å; Y41-F90 AromaticContact CD2-CZ 3.95Å; Y41-F90 HydrophobicContact CD2-CZ 3.95Å; Y41-F90 HydrophobicContact CG-CE2 4.3Å; Y86-F90 HydrophobicContact CD2-CB 3.99Å; Y86-F90 AromaticContact CD2-CD1 3.63Å; Y86-F90 HydrophobicContact CD2-CD1 3.63Å; Y86-F90 HydrophobicContact CD2-CE1 4.39Å; Y86-F90 AromaticContact CD2-CG 3.97Å; Y86-F90 HydrophobicContact CD2-CG 3.97Å; Y86-F90 HydrophobicContact CE2-CB 4.4Å; Y86-F90 AromaticContact CE2-CD1 3.15Å; Y86-F90 HydrophobicContact CE2-CD1 3.15Å; Y86-F90 AromaticContact CE2-CE1 3.56Å; Y86-F90 HydrophobicContact CE2-CE1 3.56Å; Y86-F90 AromaticContact CE2-CG 3.95Å; Y86-F90 HydrophobicContact CE2-CG 3.95Å; Y86-F90 AromaticContact CZ-CD1 3.79Å; Y86-F90 VanDerWaalsContact O-CB 3.31Å; Y86-F90 WeakPolarHBondContact O-CB 3.32Å; Y86-F90 PolarHBondContact O-N 3.03Å; F90-I93 VanDerWaalsContact O-CG2 3.28Å; F90-I93 WeakPolarHBondContact O-CG2 3.44Å; F90-Y94 WeakPolarHBondContact O-CB 3.08Å; F90-Y94 PolarHBondContact O-N 2.61Å |
| 91 | R | 67.1 | Low | 66.4 | Low | 167 Ų | 167 | 49.8 Ų | 49.8 | 63% | 0.63 | 26% | 0.255 | S | S | * | . | H | α-helix | trans | -68.2 | -46.3 | 178.5 | -144.3 | -176.3 | -172.2 | -178.2 | 3.3 | 113.3 | Y86 Y94 K95 | Y86-R91 PolarHBondContact O-N 2.95Å; R91-Y94 PolarHBondContact O-N 2.83Å; R91-K95 PolarHBondContact O-N 2.93Å; R91-K95 VanDerWaalsContact O-N 3.11Å |
| 92 | P | 67 | Low | 66 | Low | 26 Ų | 26 | 49.2 Ų | 49.2 | 17% | 0.169 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -64.7 | -37.5 | 176 | -25.2 | 37.8 | 0 | 0 | 0 | 112.5 | V87 C88 W89 K95 A96 | V87-P92 WeakPolarHBondContact O-CD 3.45Å; C88-P92 WeakPolarHBondContact O-CG 3.28Å; W89-P92 WeakPolarHBondContact O-CD 3.01Å; P92-K95 PolarHBondContact O-N 3.37Å; P92-A96 VanDerWaalsContact O-CB 3.3Å; P92-A96 WeakPolarHBondContact O-CB 3.25Å; P92-A96 PolarHBondContact O-N 2.98Å |
| 93 | I | 67.1 | Low | 65.6 | Low | 1 Ų | 1 | 52.9 Ų | 52.9 | 1% | 0.005 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -71.5 | -37.2 | 179.1 | -161.1 | 133.5 | 0 | 0 | 0 | 112.6 | L40 W89 F90 K95 A96 F97 F108 | L40-I93 HydrophobicContact CD1-CD1 3.36Å; L40-I93 HydrophobicContact CD1-CG1 4Å; L40-I93 HydrophobicContact CD2-CD1 4.16Å; L40-I93 HydrophobicContact CG-CD1 4.35Å; W89-I93 WeakPolarHBondContact O-CB 3.37Å; W89-I93 WeakPolarHBondContact O-CG2 3.31Å; W89-I93 PolarHBondContact O-N 3.46Å; W89-I93 VanDerWaalsContact O-N 3.12Å; F90-I93 VanDerWaalsContact O-CG2 3.28Å; F90-I93 WeakPolarHBondContact O-CG2 3.44Å; I93-K95 VanDerWaalsContact C-N 3.3Å; I93-K95 PolarHBondContact O-N 3.14Å; I93-A96 PolarHBondContact O-N 3.28Å; I93-F97 HydrophobicContact CD1-CE2 3.84Å; I93-F97 HydrophobicContact CD1-CZ 4.49Å; I93-F97 HydrophobicContact CG1-CD2 3.56Å; I93-F97 HydrophobicContact CG1-CE2 3.31Å; I93-F97 HydrophobicContact CG1-CZ 4.31Å; I93-F97 VanDerWaalsContact O-CD2 3.24Å; I93-F97 WeakPolarHBondContact O-CD2 3.46Å; I93-F97 PolarHBondContact O-N 3.38Å; I93-F108 HydrophobicContact CB-CD2 3.96Å; I93-F108 HydrophobicContact CB-CE2 4.45Å; I93-F108 HydrophobicContact CB-CG 4.38Å; I93-F108 HydrophobicContact CD1-CD1 3.67Å; I93-F108 HydrophobicContact CD1-CD2 3.43Å; I93-F108 VanDerWaalsContact CD1-CD2 3.43Å; I93-F108 HydrophobicContact CD1-CE1 3.59Å; I93-F108 HydrophobicContact CD1-CE2 3.37Å; I93-F108 HydrophobicContact CD1-CG 3.59Å; I93-F108 HydrophobicContact CD1-CZ 3.45Å; I93-F108 VanDerWaalsContact CD1-CZ 3.45Å; I93-F108 HydrophobicContact CG1-CD2 4.29Å; I93-F108 HydrophobicContact CG1-CG 4.47Å |
| 94 | Y | 64.8 | Low | 65.5 | Low | 31 Ų | 31 | 49.8 Ų | 49.8 | 12% | 0.122 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -60.6 | -43.3 | 172.8 | -172.9 | -99 | 0 | 0 | 0 | 111.1 | D28 I29 F90 R91 K98 | D28-Y94 PolarHBondContact OD2-OH 3.2Å; I29-Y94 HydrophobicContact CD1-CD2 4.35Å; I29-Y94 HydrophobicContact CD1-CE2 4.15Å; F90-Y94 WeakPolarHBondContact O-CB 3.08Å; F90-Y94 PolarHBondContact O-N 2.61Å; R91-Y94 PolarHBondContact O-N 2.83Å; Y94-K98 HydrophobicContact CE1-CD 4.25Å; Y94-K98 WeakPolarHBondContact O-CB 3.43Å; Y94-K98 PolarHBondContact O-N 3.35Å; Y94-K98 VanDerWaalsContact O-N 3.08Å |
| 95 | K | 63.5 | Low | 65.5 | Low | 115 Ų | 115 | 47.8 Ų | 47.8 | 50% | 0.5 | 23% | 0.233 | S | C | . | . | H | α-helix | trans | -65.1 | -42.6 | 174.8 | -169.9 | 178 | 179.3 | -174.9 | 0 | 111.9 | R91 P92 I93 F97 K98 T99 | R91-K95 PolarHBondContact O-N 2.93Å; R91-K95 VanDerWaalsContact O-N 3.11Å; P92-K95 PolarHBondContact O-N 3.37Å; I93-K95 VanDerWaalsContact C-N 3.3Å; I93-K95 PolarHBondContact O-N 3.14Å; K95-F97 PolarHBondContact O-N 2.91Å; K95-K98 PolarHBondContact O-N 2.96Å; K95-T99 PolarHBondContact O-N 3.23Å; K95-T99 PolarHBondContact O-OG1 3.28Å |
| 96 | A | 66.1 | Low | 65.5 | Low | 0 Ų | 0 | 53.4 Ų | 53.4 | 0% | 0 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -59.3 | -47 | 178.7 | 0 | 0 | 0 | 0 | 0 | 111.5 | P92 I93 D100 F105 | P92-A96 VanDerWaalsContact O-CB 3.3Å; P92-A96 WeakPolarHBondContact O-CB 3.25Å; P92-A96 PolarHBondContact O-N 2.98Å; I93-A96 PolarHBondContact O-N 3.28Å; A96-D100 VanDerWaalsContact O-CA 3.26Å; A96-D100 WeakPolarHBondContact O-CA 3.2Å; A96-D100 PolarHBondContact O-N 2.88Å; A96-F105 HydrophobicContact CB-CD1 4.41Å; A96-F105 HydrophobicContact CB-CD2 3.8Å; A96-F105 HydrophobicContact CB-CE1 4.44Å; A96-F105 HydrophobicContact CB-CE2 3.84Å; A96-F105 HydrophobicContact CB-CG 4.09Å; A96-F105 HydrophobicContact CB-CZ 4.17Å |
| 97 | F | 63.2 | Low | 65.7 | Low | 7 Ų | 7 | 52.1 Ų | 52.1 | 3% | 0.031 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -72.9 | -26.7 | 178.7 | -75.2 | -57.8 | 0 | 0 | 0 | 114.1 | H33 M36 T37 L40 I93 K95 F105 | H33-F97 HydrophobicContact CB-CD1 3.73Å; H33-F97 HydrophobicContact CB-CE1 4.12Å; H33-F97 HydrophobicContact CB-CG 4.44Å; H33-F97 AromaticContact CG-CD1 3.95Å; H33-F97 AromaticContact ND1-CD1 3.7Å; H33-F97 AromaticContact ND1-CE1 3.77Å; M36-F97 HydrophobicContact CB-CE1 4.5Å; M36-F97 HydrophobicContact CB-CZ 3.92Å; T37-F97 HydrophobicContact CG2-CD2 4.3Å; T37-F97 WeakPolarHBondContact OG1-CD2 3.29Å; T37-F97 WeakPolarHBondContact OG1-CE2 3.4Å; L40-F97 HydrophobicContact CD1-CE2 3.86Å; L40-F97 HydrophobicContact CD1-CZ 4.31Å; I93-F97 HydrophobicContact CD1-CE2 3.84Å; I93-F97 HydrophobicContact CD1-CZ 4.49Å; I93-F97 HydrophobicContact CG1-CD2 3.56Å; I93-F97 HydrophobicContact CG1-CE2 3.31Å; I93-F97 HydrophobicContact CG1-CZ 4.31Å; I93-F97 VanDerWaalsContact O-CD2 3.24Å; I93-F97 WeakPolarHBondContact O-CD2 3.46Å; I93-F97 PolarHBondContact O-N 3.38Å; K95-F97 PolarHBondContact O-N 2.91Å; F97-F105 HydrophobicContact CD1-CZ 4.18Å; F97-F105 HydrophobicContact CE1-CE1 4.39Å; F97-F105 HydrophobicContact CE1-CZ 4.03Å |
| 98 | K | 60.3 | Low | 66.1 | Low | 111 Ų | 111 | 48.5 Ų | 48.5 | 48% | 0.483 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -81 | -31 | 178.8 | -175.6 | 167.9 | -176.7 | 159.3 | 0 | 113.8 | D28 Y94 K95 | D28-K98 IonicContact OD1-NZ 3.88Å; D28-K98 IonicContact OD2-NZ 2.78Å; D28-K98 PolarHBondContact OD2-NZ 3.48Å; Y94-K98 HydrophobicContact CE1-CD 4.25Å; Y94-K98 WeakPolarHBondContact O-CB 3.43Å; Y94-K98 PolarHBondContact O-N 3.35Å; Y94-K98 VanDerWaalsContact O-N 3.08Å; K95-K98 PolarHBondContact O-N 2.96Å |
| 99 | T | 57.3 | Low | 66.7 | Low | 84 Ų | 84 | 48 Ų | 48 | 52% | 0.515 | 23% | 0.233 | S | C | . | . | H | α-helix | trans | -118.8 | 4.4 | -173 | 51 | 0 | 0 | 0 | 0 | 114.2 | K95 S101 | K95-T99 PolarHBondContact O-N 3.23Å; K95-T99 PolarHBondContact O-OG1 3.28Å; T99-S101 PolarHBondContact O-N 3.35Å |
| 100 | D | 60.1 | Low | 67.3 | Low | 100 Ų | 100 | 55.4 Ų | 55.4 | 54% | 0.535 | 27% | 0.266 | S | S | . | . | trans | 47.8 | 28.6 | -172.5 | -77.9 | -36.3 | 0 | 0 | 0 | 113.7 | A96 S102 | A96-D100 VanDerWaalsContact O-CA 3.26Å; A96-D100 WeakPolarHBondContact O-CA 3.2Å; A96-D100 PolarHBondContact O-N 2.88Å; D100-S102 PolarHBondContact O-N 2.78Å | ||
| 101 | S | 63.8 | Low | 67.8 | Low | 16 Ų | 16 | 57.3 Ų | 57.3 | 11% | 0.112 | 28% | 0.278 | C | S | . | . | trans | -78.2 | 115.7 | -172.3 | 177.7 | 0 | 0 | 0 | 0 | 111.6 | T99 F103 S104 F105 | T99-S101 PolarHBondContact O-N 3.35Å; S101-F103 PolarHBondContact O-N 3.06Å; S101-S104 PolarHBondContact O-N 3.26Å; S101-S104 VanDerWaalsContact O-N 3.1Å; S101-F105 PolarHBondContact O-N 3.43Å | ||
| 102 | S | 63.2 | Low | 68.4 | Low | 13 Ų | 13 | 49.5 Ų | 49.5 | 9% | 0.091 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -60 | -34.3 | 179.5 | -53.2 | 0 | 0 | 0 | 0 | 112.6 | D100 S104 F105 M106 E197 | D100-S102 PolarHBondContact O-N 2.78Å; S102-S104 VanDerWaalsContact C-N 3.35Å; S102-S104 PolarHBondContact O-N 3.35Å; S102-F105 WeakPolarHBondContact O-CB 3.37Å; S102-F105 PolarHBondContact O-N 2.7Å; S102-M106 PolarHBondContact O-N 3.35Å; S102-E197 VanDerWaalsContact CB-OE2 3.27Å; S102-E197 WeakPolarHBondContact CB-OE2 3.28Å; S102-E197 PolarHBondContact N-OE2 3.37Å; S102-E197 PolarHBondContact OG-OE2 3.27Å |
| 103 | F | 62.2 | Low | 69.1 | Low | 116 Ų | 116 | 52.4 Ų | 52.4 | 51% | 0.509 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -63.2 | -39 | 176.5 | -177.3 | -101.3 | 0 | 0 | 0 | 112.6 | S101 M106 A107 W198 | S101-F103 PolarHBondContact O-N 3.06Å; F103-M106 PolarHBondContact O-N 2.83Å; F103-A107 PolarHBondContact O-N 3.5Å; F103-A107 VanDerWaalsContact O-N 3.08Å; F103-W198 HydrophobicContact CD2-CE3 4.32Å; F103-W198 HydrophobicContact CD2-CH2 4.48Å; F103-W198 AromaticContact CD2-CZ3 3.67Å; F103-W198 HydrophobicContact CD2-CZ3 3.67Å; F103-W198 HydrophobicContact CE2-CH2 4.09Å; F103-W198 AromaticContact CE2-CZ3 3.71Å; F103-W198 HydrophobicContact CE2-CZ3 3.71Å |
| 104 | S | 70.4 | Confident | 69.7 | Low | 7 Ų | 7 | 54.5 Ų | 54.5 | 5% | 0.049 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -72.5 | -31.4 | 178.6 | -56.9 | 0 | 0 | 0 | 0 | 111.5 | S101 S102 F108 | S101-S104 PolarHBondContact O-N 3.26Å; S101-S104 VanDerWaalsContact O-N 3.1Å; S102-S104 VanDerWaalsContact C-N 3.35Å; S102-S104 PolarHBondContact O-N 3.35Å; S104-F108 WeakPolarHBondContact O-CB 3.34Å; S104-F108 PolarHBondContact O-N 2.93Å |
| 105 | F | 69.9 | Low | 70.3 | Confident | 12 Ų | 12 | 53.8 Ų | 53.8 | 5% | 0.053 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -64.6 | -44.2 | 169.3 | -87.1 | -74.1 | 0 | 0 | 0 | 112.2 | A96 F97 S101 S102 F108 F109 V180 Y184 | A96-F105 HydrophobicContact CB-CD1 4.41Å; A96-F105 HydrophobicContact CB-CD2 3.8Å; A96-F105 HydrophobicContact CB-CE1 4.44Å; A96-F105 HydrophobicContact CB-CE2 3.84Å; A96-F105 HydrophobicContact CB-CG 4.09Å; A96-F105 HydrophobicContact CB-CZ 4.17Å; F97-F105 HydrophobicContact CD1-CZ 4.18Å; F97-F105 HydrophobicContact CE1-CE1 4.39Å; F97-F105 HydrophobicContact CE1-CZ 4.03Å; S101-F105 PolarHBondContact O-N 3.43Å; S102-F105 WeakPolarHBondContact O-CB 3.37Å; S102-F105 PolarHBondContact O-N 2.7Å; F105-F108 WeakPolarHBondContact O-CB 3.48Å; F105-F108 PolarHBondContact O-N 2.88Å; F105-F109 HydrophobicContact CD1-CE2 4.42Å; F105-F109 WeakPolarHBondContact O-CD2 3.45Å; F105-F109 PolarHBondContact O-N 3.37Å; F105-V180 HydrophobicContact CD1-CG1 4.18Å; F105-V180 HydrophobicContact CE1-CG1 4.01Å; F105-Y184 HydrophobicContact CB-CE2 4.48Å |
| 106 | M | 71 | Confident | 71.3 | Confident | 120 Ų | 120 | 48.8 Ų | 48.8 | 59% | 0.591 | 26% | 0.255 | S | S | * | . | H | α-helix | trans | -62.9 | -43.9 | 178.7 | -172 | 126.2 | 128.3 | 0 | 0 | 112.1 | S102 F103 F108 F109 F110 | S102-M106 PolarHBondContact O-N 3.35Å; F103-M106 PolarHBondContact O-N 2.83Å; M106-F108 PolarHBondContact O-N 3.38Å; M106-F109 PolarHBondContact O-N 3.49Å; M106-F110 PolarHBondContact O-N 3.11Å; M106-F110 VanDerWaalsContact O-N 3.12Å |
| 107 | A | 72.4 | Confident | 72 | Confident | 36 Ų | 36 | 52.5 Ų | 52.5 | 30% | 0.298 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -60.4 | -44.3 | 173.4 | 0 | 0 | 0 | 0 | 0 | 111.5 | F103 F109 F110 T111 | F103-A107 PolarHBondContact O-N 3.5Å; F103-A107 VanDerWaalsContact O-N 3.08Å; A107-F109 PolarHBondContact O-N 3.02Å; A107-F110 PolarHBondContact O-N 2.89Å; A107-T111 PolarHBondContact O-N 3.14Å; A107-T111 VanDerWaalsContact O-N 3.08Å; A107-T111 PolarHBondContact O-OG1 3.12Å |
| 108 | F | 77.3 | Confident | 72.7 | Confident | 0 Ų | 0 | 53.6 Ų | 53.6 | 0% | 0 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -57.3 | -50.4 | 175 | 167.7 | -102 | 0 | 0 | 0 | 112 | L40 W89 I93 S104 F105 M106 F110 T111 F112 V180 | L40-F108 HydrophobicContact CD2-CE2 4.08Å; L40-F108 HydrophobicContact CD2-CZ 3.71Å; W89-F108 HydrophobicContact CB-CD2 4.18Å; W89-F108 HydrophobicContact CB-CE2 4.39Å; W89-F108 HydrophobicContact CE3-CD2 4.47Å; W89-F108 AromaticContact CE3-CE2 3.78Å; W89-F108 HydrophobicContact CE3-CE2 3.78Å; W89-F108 HydrophobicContact CZ3-CE2 4.44Å; I93-F108 HydrophobicContact CB-CD2 3.96Å; I93-F108 HydrophobicContact CB-CE2 4.45Å; I93-F108 HydrophobicContact CB-CG 4.38Å; I93-F108 HydrophobicContact CD1-CD1 3.67Å; I93-F108 HydrophobicContact CD1-CD2 3.43Å; I93-F108 VanDerWaalsContact CD1-CD2 3.43Å; I93-F108 HydrophobicContact CD1-CE1 3.59Å; I93-F108 HydrophobicContact CD1-CE2 3.37Å; I93-F108 HydrophobicContact CD1-CG 3.59Å; I93-F108 HydrophobicContact CD1-CZ 3.45Å; I93-F108 VanDerWaalsContact CD1-CZ 3.45Å; I93-F108 HydrophobicContact CG1-CD2 4.29Å; I93-F108 HydrophobicContact CG1-CG 4.47Å; S104-F108 WeakPolarHBondContact O-CB 3.34Å; S104-F108 PolarHBondContact O-N 2.93Å; F105-F108 WeakPolarHBondContact O-CB 3.48Å; F105-F108 PolarHBondContact O-N 2.88Å; M106-F108 PolarHBondContact O-N 3.38Å; F108-F110 VanDerWaalsContact C-N 3.34Å; F108-F110 PolarHBondContact O-N 3.45Å; F108-T111 PolarHBondContact O-N 3.44Å; F108-F112 HydrophobicContact CD2-CB 4.17Å; F108-F112 HydrophobicContact CE1-CB 4.41Å; F108-F112 HydrophobicContact CE1-CD1 4.35Å; F108-F112 HydrophobicContact CE1-CG 4.42Å; F108-F112 HydrophobicContact CE2-CB 3.77Å; F108-F112 HydrophobicContact CE2-CD1 4.22Å; F108-F112 AromaticContact CE2-CD2 3.68Å; F108-F112 HydrophobicContact CE2-CD2 3.68Å; F108-F112 HydrophobicContact CE2-CE2 4.32Å; F108-F112 AromaticContact CE2-CG 3.64Å; F108-F112 HydrophobicContact CE2-CG 3.64Å; F108-F112 HydrophobicContact CZ-CB 3.91Å; F108-F112 AromaticContact CZ-CD1 3.69Å; F108-F112 HydrophobicContact CZ-CD1 3.69Å; F108-F112 AromaticContact CZ-CD2 3.97Å; F108-F112 HydrophobicContact CZ-CD2 3.97Å; F108-F112 HydrophobicContact CZ-CE1 4.19Å; F108-F112 HydrophobicContact CZ-CE2 4.43Å; F108-F112 AromaticContact CZ-CG 3.6Å; F108-F112 HydrophobicContact CZ-CG 3.6Å; F108-F112 WeakPolarHBondContact O-CB 3.46Å; F108-F112 PolarHBondContact O-N 3.44Å; F108-V180 HydrophobicContact CD1-CG1 4.3Å; F108-V180 HydrophobicContact CE1-CB 4.2Å; F108-V180 HydrophobicContact CE1-CG1 3.93Å; F108-V180 HydrophobicContact CE1-CG2 4.12Å |
| 109 | F | 79.2 | Confident | 73.5 | Confident | 37 Ų | 37 | 48.3 Ų | 48.3 | 16% | 0.162 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -59.5 | -42.7 | -179.2 | -79.2 | -66.8 | 0 | 0 | 0 | 112.8 | F105 M106 A107 M113 V180 H181 Y184 | F105-F109 HydrophobicContact CD1-CE2 4.42Å; F105-F109 WeakPolarHBondContact O-CD2 3.45Å; F105-F109 PolarHBondContact O-N 3.37Å; M106-F109 PolarHBondContact O-N 3.49Å; A107-F109 PolarHBondContact O-N 3.02Å; F109-M113 VanDerWaalsContact O-CB 3.31Å; F109-M113 WeakPolarHBondContact O-CB 3.46Å; F109-M113 PolarHBondContact O-N 3.42Å; F109-V180 HydrophobicContact CE1-CB 4.24Å; F109-V180 HydrophobicContact CE1-CG1 4.05Å; F109-V180 HydrophobicContact CE2-CG1 4.28Å; F109-V180 HydrophobicContact CZ-CB 4.18Å; F109-V180 HydrophobicContact CZ-CG1 3.6Å; F109-H181 HydrophobicContact CE1-CB 3.95Å; F109-H181 HydrophobicContact CZ-CB 4.23Å; F109-Y184 HydrophobicContact CE2-CG 4.36Å |
| 110 | F | 78.9 | Confident | 74.5 | Confident | 161 Ų | 161 | 48.3 Ų | 48.3 | 71% | 0.706 | 26% | 0.256 | S | S | * | . | H | α-helix | trans | -63.5 | -52.8 | 179.6 | -179.9 | -100.9 | 0 | 0 | 0 | 111.7 | M106 A107 F108 F112 M113 A114 | M106-F110 PolarHBondContact O-N 3.11Å; M106-F110 VanDerWaalsContact O-N 3.12Å; A107-F110 PolarHBondContact O-N 2.89Å; F108-F110 VanDerWaalsContact C-N 3.34Å; F108-F110 PolarHBondContact O-N 3.45Å; F110-F112 VanDerWaalsContact C-N 3.34Å; F110-F112 PolarHBondContact O-N 2.97Å; F110-M113 PolarHBondContact O-N 3.09Å; F110-A114 PolarHBondContact O-N 3.38Å; F110-A114 VanDerWaalsContact O-N 3.09Å |
| 111 | T | 78.5 | Confident | 75.3 | Confident | 44 Ų | 44 | 46.7 Ų | 46.7 | 27% | 0.27 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -69.4 | -33.1 | -178.1 | -10.1 | 0 | 0 | 0 | 0 | 112.4 | C88 A107 F108 A114 Q115 | C88-T111 HydrophobicContact CB-CG2 3.78Å; C88-T111 PolarHBondContact O-OG1 3Å; A107-T111 PolarHBondContact O-N 3.14Å; A107-T111 VanDerWaalsContact O-N 3.08Å; A107-T111 PolarHBondContact O-OG1 3.12Å; F108-T111 PolarHBondContact O-N 3.44Å; T111-A114 PolarHBondContact O-N 2.89Å; T111-Q115 WeakPolarHBondContact O-CB 3.5Å; T111-Q115 PolarHBondContact O-N 3.46Å |
| 112 | F | 80.6 | Confident | 75.7 | Confident | 2 Ų | 2 | 46.1 Ų | 46.1 | 1% | 0.009 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -75.2 | -32.3 | 177.4 | -160.7 | -111.5 | 0 | 0 | 0 | 112.2 | L40 L43 W89 F108 F110 Q115 L116 S173 A176 L177 | L40-F112 HydrophobicContact CD2-CZ 4.47Å; L43-F112 HydrophobicContact CD2-CE2 3.84Å; L43-F112 HydrophobicContact CD2-CZ 3.75Å; W89-F112 HydrophobicContact CB-CD2 4.49Å; W89-F112 HydrophobicContact CD2-CD2 4.11Å; W89-F112 HydrophobicContact CD2-CE2 4.23Å; W89-F112 AromaticContact CE3-CD2 3.93Å; W89-F112 HydrophobicContact CE3-CD2 3.93Å; W89-F112 AromaticContact CE3-CE2 3.88Å; W89-F112 HydrophobicContact CE3-CE2 3.88Å; W89-F112 HydrophobicContact CG-CD2 4.39Å; W89-F112 AromaticContact CH2-CE2 3.96Å; W89-F112 HydrophobicContact CH2-CE2 3.96Å; W89-F112 HydrophobicContact CZ2-CE2 4.36Å; W89-F112 HydrophobicContact CZ3-CD2 4.26Å; W89-F112 AromaticContact CZ3-CE2 3.73Å; W89-F112 HydrophobicContact CZ3-CE2 3.73Å; F108-F112 HydrophobicContact CD2-CB 4.17Å; F108-F112 HydrophobicContact CE1-CB 4.41Å; F108-F112 HydrophobicContact CE1-CD1 4.35Å; F108-F112 HydrophobicContact CE1-CG 4.42Å; F108-F112 HydrophobicContact CE2-CB 3.77Å; F108-F112 HydrophobicContact CE2-CD1 4.22Å; F108-F112 AromaticContact CE2-CD2 3.68Å; F108-F112 HydrophobicContact CE2-CD2 3.68Å; F108-F112 HydrophobicContact CE2-CE2 4.32Å; F108-F112 AromaticContact CE2-CG 3.64Å; F108-F112 HydrophobicContact CE2-CG 3.64Å; F108-F112 HydrophobicContact CZ-CB 3.91Å; F108-F112 AromaticContact CZ-CD1 3.69Å; F108-F112 HydrophobicContact CZ-CD1 3.69Å; F108-F112 AromaticContact CZ-CD2 3.97Å; F108-F112 HydrophobicContact CZ-CD2 3.97Å; F108-F112 HydrophobicContact CZ-CE1 4.19Å; F108-F112 HydrophobicContact CZ-CE2 4.43Å; F108-F112 AromaticContact CZ-CG 3.6Å; F108-F112 HydrophobicContact CZ-CG 3.6Å; F108-F112 WeakPolarHBondContact O-CB 3.46Å; F108-F112 PolarHBondContact O-N 3.44Å; F110-F112 VanDerWaalsContact C-N 3.34Å; F110-F112 PolarHBondContact O-N 2.97Å; F112-Q115 PolarHBondContact O-N 3.33Å; F112-L116 WeakPolarHBondContact O-CB 3.04Å; F112-L116 PolarHBondContact O-N 3.42Å; F112-S173 WeakPolarHBondContact CE1-O 3.1Å; F112-A176 HydrophobicContact CE1-CB 4.22Å; F112-A176 HydrophobicContact CZ-CB 4.21Å; F112-L177 HydrophobicContact CD1-CB 3.98Å; F112-L177 HydrophobicContact CD1-CD1 3.96Å; F112-L177 HydrophobicContact CD1-CG 4.29Å; F112-L177 HydrophobicContact CE1-CB 3.93Å |
| 113 | M | 80.7 | Confident | 76.1 | Confident | 87 Ų | 87 | 46 Ų | 46 | 43% | 0.429 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -63.6 | -45.8 | 168.7 | -105.7 | -57.2 | 178.8 | 0 | 0 | 111.7 | F109 F110 Q115 L116 V117 L177 | F109-M113 VanDerWaalsContact O-CB 3.31Å; F109-M113 WeakPolarHBondContact O-CB 3.46Å; F109-M113 PolarHBondContact O-N 3.42Å; F110-M113 PolarHBondContact O-N 3.09Å; M113-Q115 VanDerWaalsContact C-N 3.3Å; M113-Q115 PolarHBondContact O-N 3.48Å; M113-L116 HydrophobicContact CE-CD2 4.37Å; M113-L116 WeakPolarHBondContact O-CB 3.37Å; M113-L116 PolarHBondContact O-N 3.08Å; M113-L116 VanDerWaalsContact O-N 3.14Å; M113-L116 HydrophobicContact SD-CD2 3.95Å; M113-V117 WeakPolarHBondContact O-CG2 3.45Å; M113-V117 PolarHBondContact O-N 3.4Å; M113-L177 HydrophobicContact CE-CD1 3.91Å; M113-L177 HydrophobicContact CE-CD2 4.13Å; M113-L177 HydrophobicContact CG-CD1 3.83Å; M113-L177 HydrophobicContact SD-CD1 3.97Å |
| 114 | A | 80.1 | Confident | 76.8 | Confident | 45 Ų | 45 | 43.2 Ų | 43.2 | 37% | 0.372 | 23% | 0.234 | S | C | . | . | H | α-helix | trans | -59.5 | -43.6 | 176.1 | 0 | 0 | 0 | 0 | 0 | 111.1 | F110 T111 L116 V117 I118 | F110-A114 PolarHBondContact O-N 3.38Å; F110-A114 VanDerWaalsContact O-N 3.09Å; T111-A114 PolarHBondContact O-N 2.89Å; A114-L116 VanDerWaalsContact C-N 3.34Å; A114-L116 PolarHBondContact O-N 2.61Å; A114-V117 PolarHBondContact O-N 3.31Å; A114-I118 VanDerWaalsContact O-CG1 3.28Å; A114-I118 WeakPolarHBondContact O-CG1 3.41Å; A114-I118 PolarHBondContact O-N 3.25Å |
| 115 | Q | 78.1 | Confident | 76.5 | Confident | 17 Ų | 17 | 43.1 Ų | 43.1 | 8% | 0.079 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -60.4 | -41 | 173.9 | -176.1 | 64.7 | 28.1 | 0 | 0 | 112.2 | N47 T111 F112 M113 I118 S119 | N47-Q115 PolarHBondContact OD1-NE2 3.31Å; T111-Q115 WeakPolarHBondContact O-CB 3.5Å; T111-Q115 PolarHBondContact O-N 3.46Å; F112-Q115 PolarHBondContact O-N 3.33Å; M113-Q115 VanDerWaalsContact C-N 3.3Å; M113-Q115 PolarHBondContact O-N 3.48Å; Q115-I118 PolarHBondContact O-N 2.82Å; Q115-S119 WeakPolarHBondContact O-CB 3.31Å; Q115-S119 PolarHBondContact O-N 3.42Å; Q115-S119 PolarHBondContact O-OG 3.07Å |
| 116 | L | 83.1 | Confident | 76.1 | Confident | 10 Ų | 10 | 45.9 Ų | 45.9 | 5% | 0.052 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -61.4 | -47.9 | 176.7 | -178.3 | 72.8 | 0 | 0 | 0 | 111 | F112 M113 A114 I118 S119 I120 A170 F174 | F112-L116 WeakPolarHBondContact O-CB 3.04Å; F112-L116 PolarHBondContact O-N 3.42Å; M113-L116 HydrophobicContact CE-CD2 4.37Å; M113-L116 WeakPolarHBondContact O-CB 3.37Å; M113-L116 PolarHBondContact O-N 3.08Å; M113-L116 VanDerWaalsContact O-N 3.14Å; M113-L116 HydrophobicContact SD-CD2 3.95Å; A114-L116 VanDerWaalsContact C-N 3.34Å; A114-L116 PolarHBondContact O-N 2.61Å; L116-I118 VanDerWaalsContact C-N 3.33Å; L116-I118 PolarHBondContact O-N 3.36Å; L116-S119 WeakPolarHBondContact CA-OG 3.47Å; L116-S119 PolarHBondContact O-N 3.16Å; L116-S119 PolarHBondContact O-OG 3.24Å; L116-I120 HydrophobicContact CG-CD1 4.08Å; L116-I120 WeakPolarHBondContact O-CG1 3.13Å; L116-I120 PolarHBondContact O-N 3.19Å; L116-A170 WeakPolarHBondContact CD1-O 3.19Å; L116-F174 HydrophobicContact CD1-CB 4.21Å; L116-F174 HydrophobicContact CD2-CD2 4.19Å |
| 117 | V | 81.8 | Confident | 75.3 | Confident | 77 Ų | 77 | 44.1 Ų | 44.1 | 47% | 0.467 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -58.9 | -46.1 | 177.3 | 172.7 | 0 | 0 | 0 | 0 | 110.8 | M113 A114 S119 I120 I121 | M113-V117 WeakPolarHBondContact O-CG2 3.45Å; M113-V117 PolarHBondContact O-N 3.4Å; A114-V117 PolarHBondContact O-N 3.31Å; V117-S119 PolarHBondContact O-N 3.36Å; V117-I120 PolarHBondContact O-N 3.46Å; V117-I121 HydrophobicContact CG1-CD1 3.87Å; V117-I121 WeakPolarHBondContact O-CG1 3.05Å; V117-I121 PolarHBondContact O-N 2.7Å |
| 118 | I | 77.7 | Confident | 74.3 | Confident | 30 Ų | 30 | 46.4 Ų | 46.4 | 15% | 0.154 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -58.7 | -48.8 | 175.7 | -66.7 | 165.9 | 0 | 0 | 0 | 109.8 | W77 F81 A114 Q115 L116 I120 I121 Q122 | W77-I118 HydrophobicContact CZ3-CG2 4.24Å; F81-I118 HydrophobicContact CE1-CD1 4.11Å; F81-I118 HydrophobicContact CE1-CG2 4.37Å; F81-I118 HydrophobicContact CZ-CD1 4.28Å; A114-I118 VanDerWaalsContact O-CG1 3.28Å; A114-I118 WeakPolarHBondContact O-CG1 3.41Å; A114-I118 PolarHBondContact O-N 3.25Å; Q115-I118 PolarHBondContact O-N 2.82Å; L116-I118 VanDerWaalsContact C-N 3.33Å; L116-I118 PolarHBondContact O-N 3.36Å; I118-I120 VanDerWaalsContact C-N 3.3Å; I118-I120 PolarHBondContact O-N 2.91Å; I118-I121 WeakPolarHBondContact O-CB 3.13Å; I118-I121 PolarHBondContact O-N 3.41Å; I118-I121 VanDerWaalsContact O-N 3.12Å; I118-Q122 HydrophobicContact CG2-CG 4.2Å; I118-Q122 VanDerWaalsContact O-CG 3.27Å; I118-Q122 WeakPolarHBondContact O-CG 3.14Å; I118-Q122 PolarHBondContact O-N 2.97Å |
| 119 | S | 76.7 | Confident | 72.5 | Confident | 1 Ų | 1 | 56 Ų | 56 | 1% | 0.007 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -61.3 | -34.8 | -179.3 | 70.4 | 0 | 0 | 0 | 0 | 113.8 | Q115 L116 V117 Q122 A123 | Q115-S119 WeakPolarHBondContact O-CB 3.31Å; Q115-S119 PolarHBondContact O-N 3.42Å; Q115-S119 PolarHBondContact O-OG 3.07Å; L116-S119 WeakPolarHBondContact CA-OG 3.47Å; L116-S119 PolarHBondContact O-N 3.16Å; L116-S119 PolarHBondContact O-OG 3.24Å; V117-S119 PolarHBondContact O-N 3.36Å; S119-Q122 PolarHBondContact O-N 3.27Å; S119-A123 WeakPolarHBondContact O-CB 3.31Å; S119-A123 PolarHBondContact O-N 3.44Å |
| 120 | I | 79.1 | Confident | 70.5 | Confident | 84 Ų | 84 | 57.3 Ų | 57.3 | 43% | 0.431 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -67.6 | -45.6 | 174.8 | -68.1 | 166.9 | 0 | 0 | 0 | 110.2 | L116 V117 I118 Q122 A123 V124 A170 | L116-I120 HydrophobicContact CG-CD1 4.08Å; L116-I120 WeakPolarHBondContact O-CG1 3.13Å; L116-I120 PolarHBondContact O-N 3.19Å; V117-I120 PolarHBondContact O-N 3.46Å; I118-I120 VanDerWaalsContact C-N 3.3Å; I118-I120 PolarHBondContact O-N 2.91Å; I120-Q122 VanDerWaalsContact C-N 3.27Å; I120-Q122 PolarHBondContact O-N 3.18Å; I120-A123 PolarHBondContact O-N 2.85Å; I120-V124 WeakPolarHBondContact O-CG2 3.45Å; I120-V124 PolarHBondContact O-N 3.44Å; I120-A170 HydrophobicContact CG1-CB 4.19Å |
| 121 | I | 76.4 | Confident | 68.3 | Low | 66 Ų | 66 | 57.2 Ų | 57.2 | 34% | 0.338 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -60.1 | -41.3 | 176.2 | -67 | 167.1 | 0 | 0 | 0 | 110.3 | V117 I118 V124 G125 A136 | V117-I121 HydrophobicContact CG1-CD1 3.87Å; V117-I121 WeakPolarHBondContact O-CG1 3.05Å; V117-I121 PolarHBondContact O-N 2.7Å; I118-I121 WeakPolarHBondContact O-CB 3.13Å; I118-I121 PolarHBondContact O-N 3.41Å; I118-I121 VanDerWaalsContact O-N 3.12Å; I121-V124 PolarHBondContact O-N 2.93Å; I121-G125 PolarHBondContact O-N 3.24Å; I121-A136 HydrophobicContact CG2-CB 3.73Å |
| 122 | Q | 71.8 | Confident | 66.3 | Low | 4 Ų | 4 | 59.3 Ų | 59.3 | 2% | 0.019 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -64.7 | -38.7 | 176.4 | -65.4 | -174.6 | -47.8 | 0 | 0 | 112.5 | I118 S119 I120 S138 F166 | I118-Q122 HydrophobicContact CG2-CG 4.2Å; I118-Q122 VanDerWaalsContact O-CG 3.27Å; I118-Q122 WeakPolarHBondContact O-CG 3.14Å; I118-Q122 PolarHBondContact O-N 2.97Å; S119-Q122 PolarHBondContact O-N 3.27Å; I120-Q122 VanDerWaalsContact C-N 3.27Å; I120-Q122 PolarHBondContact O-N 3.18Å; Q122-S138 WeakPolarHBondContact CG-OG 3.31Å; Q122-S138 PolarHBondContact NE2-OG 3.47Å; Q122-S138 VanDerWaalsContact NE2-OG 3.08Å; Q122-F166 HydrophobicContact CB-CD1 3.97Å; Q122-F166 HydrophobicContact CB-CE1 4.1Å; Q122-F166 HydrophobicContact CB-CG 4.35Å; Q122-F166 VanDerWaalsContact OE1-CE1 3.28Å |
| 123 | A | 73.1 | Confident | 64.6 | Low | 9 Ų | 9 | 64.4 Ų | 64.4 | 7% | 0.074 | 39% | 0.394 | C | S | . | . | H | α-helix | trans | -67.4 | -35.1 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.8 | S119 I120 G141 W142 F166 | S119-A123 WeakPolarHBondContact O-CB 3.31Å; S119-A123 PolarHBondContact O-N 3.44Å; I120-A123 PolarHBondContact O-N 2.85Å; A123-G141 WeakPolarHBondContact O-CA 3.42Å; A123-W142 PolarHBondContact O-N 3.45Å; A123-W142 VanDerWaalsContact O-N 3.11Å; A123-F166 HydrophobicContact CB-CB 4.16Å |
| 124 | V | 76.8 | Confident | 62.8 | Low | 59 Ų | 59 | 64.5 Ų | 64.5 | 36% | 0.358 | 40% | 0.4 | S | S | . | . | H | α-helix | trans | -73.6 | -44.2 | 175.7 | 176.8 | 0 | 0 | 0 | 0 | 111 | I120 I121 I126 G141 W142 I143 | I120-V124 WeakPolarHBondContact O-CG2 3.45Å; I120-V124 PolarHBondContact O-N 3.44Å; I121-V124 PolarHBondContact O-N 2.93Å; V124-I126 HydrophobicContact CG1-CD1 4.45Å; V124-I126 HydrophobicContact CG1-CG1 3.78Å; V124-G141 CarbonylContact O-C 3.55Å; V124-W142 PolarHBondContact O-N 3.49Å; V124-I143 HydrophobicContact CG1-CD1 3.67Å; V124-I143 HydrophobicContact CG1-CG1 4.43Å; V124-I143 PolarHBondContact O-N 3.25Å |
| 125 | G | 64.1 | Low | 61 | Low | 4 Ų | 4 | 67.4 Ų | 67.4 | 4% | 0.041 | 41% | 0.409 | C | S | . | . | trans | 58.1 | 63.9 | 177.2 | 0 | 0 | 0 | 0 | 0 | 113.4 | I121 P127 | I121-G125 PolarHBondContact O-N 3.24Å; G125-P127 VanDerWaalsContact O-CD 3.27Å; G125-P127 WeakPolarHBondContact O-CD 3.3Å | ||
| 126 | I | 60.3 | Low | 59.5 | Low | 70 Ų | 70 | 68.5 Ų | 68.5 | 36% | 0.359 | 42% | 0.42 | S | S | . | . | trans | -67.5 | 115.3 | 178.5 | -56.3 | 177 | 0 | 0 | 0 | 109.5 | V124 W129 I143 | V124-I126 HydrophobicContact CG1-CD1 4.45Å; V124-I126 HydrophobicContact CG1-CG1 3.78Å; I126-W129 HydrophobicContact CB-CB 4.4Å; I126-W129 HydrophobicContact CG2-CB 3.98Å; I126-W129 HydrophobicContact CG2-CG 3.88Å; I126-I143 HydrophobicContact CG1-CD1 4.42Å | ||
| 127 | P | 53.8 | Low | 57.7 | Low | 83 Ų | 83 | 69 Ų | 69 | 54% | 0.539 | 42% | 0.424 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -71 | 131.4 | 177.1 | 28.6 | -32.1 | 0 | 0 | 0 | 110.4 | G125 W129 I143 | G125-P127 VanDerWaalsContact O-CD 3.27Å; G125-P127 WeakPolarHBondContact O-CD 3.3Å; P127-W129 PolarHBondContact O-N 3.12Å; P127-I143 HydrophobicContact CG-CG2 3.95Å |
| 128 | G | 53.1 | Low | 56.1 | Low | 85 Ų | 85 | 65.9 Ų | 65.9 | 88% | 0.876 | 41% | 0.406 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 78.5 | 10.3 | 170.6 | 0 | 0 | 0 | 0 | 0 | 116.9 | G130 | G128-G130 PolarHBondContact O-N 3.12Å; G128-G130 VanDerWaalsContact O-N 3.1Å |
| 129 | W | 39.6 | Very low | 54.9 | Low | 202 Ų | 202 | 64.9 Ų | 64.9 | 77% | 0.765 | 40% | 0.402 | S | S | * | . | trans | -74.1 | 98.8 | 169.6 | -116.4 | 50.6 | 0 | 0 | 0 | 110.2 | I126 P127 | I126-W129 HydrophobicContact CB-CB 4.4Å; I126-W129 HydrophobicContact CG2-CB 3.98Å; I126-W129 HydrophobicContact CG2-CG 3.88Å; P127-W129 PolarHBondContact O-N 3.12Å | ||
| 130 | G | 35.4 | Very low | 53.9 | Low | 63 Ų | 63 | 64.9 Ų | 64.9 | 65% | 0.649 | 40% | 0.402 | S | S | * | . | trans | -160.5 | 95.4 | -177.9 | 0 | 0 | 0 | 0 | 0 | 114.8 | G128 | G128-G130 PolarHBondContact O-N 3.12Å; G128-G130 VanDerWaalsContact O-N 3.1Å | ||
| 131 | V | 34.3 | Very low | 53.1 | Low | 159 Ų | 159 | 60.9 Ų | 60.9 | 96% | 0.964 | 38% | 0.381 | S | S | * | . | S | Bend | trans | -101.8 | -10.8 | 146.7 | -175.5 | 0 | 0 | 0 | 0 | 110.3 | ||
| 132 | C | 35.9 | Very low | 52.8 | Low | 89 Ų | 89 | 63.1 Ų | 63.1 | 60% | 0.601 | 39% | 0.386 | S | S | * | . | S | Bend | trans | -138.4 | 119.4 | 175.6 | -155.5 | 0 | 0 | 0 | 0 | 110.6 | T134 | C132-T134 VanDerWaalsContact C-N 3.27Å; C132-T134 PolarHBondContact O-N 2.91Å |
| 133 | P | 43.8 | Very low | 52.8 | Low | 108 Ų | 108 | 66.4 Ų | 66.4 | 70% | 0.701 | 40% | 0.403 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75.2 | -2 | -168.6 | -14.1 | 28.8 | 0 | 0 | 0 | 116.2 | ||
| 134 | T | 42.9 | Very low | 52.5 | Low | 89 Ų | 89 | 66.6 Ų | 66.6 | 55% | 0.546 | 40% | 0.404 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -101.3 | -5.2 | -157.2 | 49.9 | 0 | 0 | 0 | 0 | 116.3 | W77 C132 | W77-T134 WeakPolarHBondContact CZ2-O 3.49Å; C132-T134 VanDerWaalsContact C-N 3.27Å; C132-T134 PolarHBondContact O-N 2.91Å |
| 135 | L | 42.7 | Very low | 52 | Low | 107 Ų | 107 | 63.8 Ų | 63.8 | 56% | 0.56 | 39% | 0.387 | S | S | * | . | S | Bend | trans | -130.7 | -11.3 | -169.1 | -63.2 | 173.7 | 0 | 0 | 0 | 117.2 | ||
| 136 | A | 47.4 | Very low | 52.4 | Low | 39 Ų | 39 | 68.6 Ų | 68.6 | 32% | 0.322 | 41% | 0.411 | S | S | . | . | trans | -142.9 | 41.5 | -174.5 | 0 | 0 | 0 | 0 | 0 | 114 | I121 S138 | I121-A136 HydrophobicContact CG2-CB 3.73Å; A136-S138 PolarHBondContact O-N 3.1Å | ||
| 137 | S | 44.3 | Very low | 52.8 | Low | 20 Ų | 20 | 69.1 Ų | 69.1 | 14% | 0.14 | 42% | 0.42 | C | S | . | . | trans | -94.5 | 78.2 | 168.2 | 36.7 | 0 | 0 | 0 | 0 | 110.2 | L73 W77 | L73-S137 VanDerWaalsContact CD1-CB 3.49Å; W77-S137 PolarHBondContact NE1-OG 3.08Å | ||
| 138 | S | 49.3 | Very low | 53.4 | Low | 12 Ų | 12 | 65.7 Ų | 65.7 | 8% | 0.084 | 40% | 0.397 | C | S | . | . | trans | -122.1 | 111 | 165 | -73.5 | 0 | 0 | 0 | 0 | 109.2 | Q122 A136 S140 | Q122-S138 WeakPolarHBondContact CG-OG 3.31Å; Q122-S138 PolarHBondContact NE2-OG 3.47Å; Q122-S138 VanDerWaalsContact NE2-OG 3.08Å; A136-S138 PolarHBondContact O-N 3.1Å; S138-S140 PolarHBondContact O-N 2.85Å | ||
| 139 | C | 52.1 | Low | 54.3 | Low | 10 Ų | 10 | 65.7 Ų | 65.7 | 7% | 0.068 | 37% | 0.373 | C | S | . | . | S | Bend | trans | -74 | -5.8 | -177.5 | -42.6 | 0 | 0 | 0 | 0 | 111.7 | C58 N70 A144 M159 | C58-C139 VanDerWaalsContact SG-CB 3.6Å; N70-C139 WeakPolarHBondContact CA-SG 3.3Å; N70-C139 HydrophobicContact CB-CB 3.99Å; N70-C139 WeakPolarHBondContact CB-SG 3.31Å; N70-C139 PolarHBondContact OD1-SG 3.45Å; C139-A144 VanDerWaalsContact O-CB 3.31Å; C139-A144 WeakPolarHBondContact O-CB 3.46Å; C139-M159 WeakPolarHBondContact O-CE 3.34Å |
| 140 | S | 56.3 | Low | 55.6 | Low | 0 Ų | 0 | 59.8 Ų | 59.8 | 0% | 0 | 38% | 0.375 | C | S | . | . | trans | -117.2 | 49.8 | -169.6 | -51.7 | 0 | 0 | 0 | 0 | 112 | N54 S138 T163 | N54-S140 WeakPolarHBondContact OD1-CB 3.28Å; N54-S140 PolarHBondContact OD1-OG 3.49Å; S138-S140 PolarHBondContact O-N 2.85Å; S140-T163 VanDerWaalsContact O-CA 3.3Å; S140-T163 WeakPolarHBondContact O-CA 3.11Å; S140-T163 WeakPolarHBondContact O-CB 3.21Å; S140-T163 PolarHBondContact O-OG1 3.01Å | ||
| 141 | G | 61.9 | Low | 57.3 | Low | 0 Ų | 0 | 61 Ų | 61 | 0% | 0 | 37% | 0.37 | C | S | . | . | S | Bend | trans | -107.4 | 165 | 167.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | A123 V124 I143 A144 T145 | A123-G141 WeakPolarHBondContact O-CA 3.42Å; V124-G141 CarbonylContact O-C 3.55Å; G141-I143 PolarHBondContact O-N 3.32Å; G141-I143 VanDerWaalsContact O-N 3.11Å; G141-A144 PolarHBondContact O-N 3.36Å; G141-A144 VanDerWaalsContact O-N 3.11Å; G141-T145 PolarHBondContact O-N 3.01Å; G141-T145 PolarHBondContact O-OG1 3.29Å |
| 142 | W | 70.3 | Confident | 59.1 | Low | 114 Ų | 114 | 56.9 Ų | 56.9 | 43% | 0.432 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -50.6 | -40.6 | -177.2 | -75.6 | 98 | 0 | 0 | 0 | 112.4 | A123 V124 I146 L160 T163 V164 T167 | A123-W142 PolarHBondContact O-N 3.45Å; A123-W142 VanDerWaalsContact O-N 3.11Å; V124-W142 PolarHBondContact O-N 3.49Å; W142-I146 VanDerWaalsContact O-CB 3.31Å; W142-I146 WeakPolarHBondContact O-CB 3.46Å; W142-I146 VanDerWaalsContact O-CD1 3.28Å; W142-I146 WeakPolarHBondContact O-CD1 3.12Å; W142-I146 WeakPolarHBondContact O-CG1 3.48Å; W142-I146 PolarHBondContact O-N 3.3Å; W142-L160 HydrophobicContact CZ3-CD2 4.21Å; W142-T163 HydrophobicContact CB-CG2 4.39Å; W142-T163 HydrophobicContact CD2-CG2 3.81Å; W142-T163 HydrophobicContact CG-CG2 3.72Å; W142-V164 HydrophobicContact CZ2-CG2 4.46Å; W142-T167 PolarHBondContact NE1-OG1 3.18Å; W142-T167 VanDerWaalsContact NE1-OG1 3.12Å |
| 143 | I | 70.8 | Confident | 61.2 | Low | 73 Ų | 73 | 58.3 Ų | 58.3 | 37% | 0.374 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -67.6 | -46.7 | -178.5 | -58 | 174.6 | 0 | 0 | 0 | 111.6 | V124 I126 P127 G141 S147 | V124-I143 HydrophobicContact CG1-CD1 3.67Å; V124-I143 HydrophobicContact CG1-CG1 4.43Å; V124-I143 PolarHBondContact O-N 3.25Å; I126-I143 HydrophobicContact CG1-CD1 4.42Å; P127-I143 HydrophobicContact CG-CG2 3.95Å; G141-I143 PolarHBondContact O-N 3.32Å; G141-I143 VanDerWaalsContact O-N 3.11Å; I143-S147 WeakPolarHBondContact O-CB 3.18Å; I143-S147 PolarHBondContact O-N 3.02Å; I143-S147 VanDerWaalsContact O-N 3.11Å; I143-S147 PolarHBondContact O-OG 3.11Å |
| 144 | A | 67 | Low | 62.7 | Low | 12 Ų | 12 | 55.7 Ų | 55.7 | 10% | 0.099 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -65.4 | -43.2 | 179.1 | 0 | 0 | 0 | 0 | 0 | 111.8 | C139 G141 S147 F148 | C139-A144 VanDerWaalsContact O-CB 3.31Å; C139-A144 WeakPolarHBondContact O-CB 3.46Å; G141-A144 PolarHBondContact O-N 3.36Å; G141-A144 VanDerWaalsContact O-N 3.11Å; A144-S147 PolarHBondContact O-N 2.7Å; A144-F148 PolarHBondContact O-N 3.43Å |
| 145 | T | 66.7 | Low | 64.3 | Low | 0 Ų | 0 | 52 Ų | 52 | 0% | 0 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -66.1 | -44.1 | 179.9 | -57.2 | 0 | 0 | 0 | 0 | 111.6 | G141 S147 F148 F149 M159 L160 T163 | G141-T145 PolarHBondContact O-N 3.01Å; G141-T145 PolarHBondContact O-OG1 3.29Å; T145-S147 VanDerWaalsContact C-N 3.32Å; T145-S147 PolarHBondContact O-N 3.18Å; T145-F148 PolarHBondContact O-N 2.95Å; T145-F149 HydrophobicContact CG2-CE2 4.15Å; T145-F149 VanDerWaalsContact O-CD2 3.23Å; T145-F149 WeakPolarHBondContact O-CD2 3.33Å; T145-M159 HydrophobicContact CG2-CB 4.12Å; T145-L160 HydrophobicContact CG2-CB 4.43Å; T145-L160 HydrophobicContact CG2-CD2 3.57Å; T145-L160 HydrophobicContact CG2-CG 3.65Å; T145-T163 PolarHBondContact OG1-OG1 3.38Å |
| 146 | I | 71.8 | Confident | 65.7 | Low | 106 Ų | 106 | 46.9 Ų | 46.9 | 54% | 0.544 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -61.7 | -40.7 | 176.6 | -69.4 | 165.7 | 0 | 0 | 0 | 111.2 | W142 F148 F149 | W142-I146 VanDerWaalsContact O-CB 3.31Å; W142-I146 WeakPolarHBondContact O-CB 3.46Å; W142-I146 VanDerWaalsContact O-CD1 3.28Å; W142-I146 WeakPolarHBondContact O-CD1 3.12Å; W142-I146 WeakPolarHBondContact O-CG1 3.48Å; W142-I146 PolarHBondContact O-N 3.3Å; I146-F148 PolarHBondContact O-N 2.97Å; I146-F149 PolarHBondContact O-N 3.17Å |
| 147 | S | 68.8 | Low | 67.4 | Low | 80 Ų | 80 | 48.8 Ų | 48.8 | 56% | 0.559 | 29% | 0.294 | S | S | * | . | H | α-helix | trans | -64.8 | -24.9 | -178.9 | -58.4 | 0 | 0 | 0 | 0 | 113.2 | I143 A144 T145 | I143-S147 WeakPolarHBondContact O-CB 3.18Å; I143-S147 PolarHBondContact O-N 3.02Å; I143-S147 VanDerWaalsContact O-N 3.11Å; I143-S147 PolarHBondContact O-OG 3.11Å; A144-S147 PolarHBondContact O-N 2.7Å; T145-S147 VanDerWaalsContact C-N 3.32Å; T145-S147 PolarHBondContact O-N 3.18Å |
| 148 | F | 67.7 | Low | 69.1 | Low | 12 Ų | 12 | 50.2 Ų | 50.2 | 5% | 0.053 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -92.5 | -10.2 | -175.8 | -151.2 | -120.5 | 0 | 0 | 0 | 114.8 | W61 A144 T145 I146 G150 T151 N152 S155 | W61-F148 HydrophobicContact CD2-CD1 4.45Å; W61-F148 HydrophobicContact CD2-CD2 4.35Å; W61-F148 HydrophobicContact CD2-CE1 4.08Å; W61-F148 AromaticContact CD2-CE2 4Å; W61-F148 HydrophobicContact CD2-CE2 4Å; W61-F148 AromaticContact CD2-CZ 3.86Å; W61-F148 HydrophobicContact CD2-CZ 3.86Å; W61-F148 HydrophobicContact CE3-CB 4.19Å; W61-F148 AromaticContact CE3-CD1 3.43Å; W61-F148 HydrophobicContact CE3-CD1 3.43Å; W61-F148 VanDerWaalsContact CE3-CD1 3.43Å; W61-F148 AromaticContact CE3-CD2 3.59Å; W61-F148 HydrophobicContact CE3-CD2 3.59Å; W61-F148 AromaticContact CE3-CE1 3.46Å; W61-F148 HydrophobicContact CE3-CE1 3.46Å; W61-F148 VanDerWaalsContact CE3-CE1 3.46Å; W61-F148 AromaticContact CE3-CE2 3.64Å; W61-F148 HydrophobicContact CE3-CE2 3.64Å; W61-F148 AromaticContact CE3-CG 3.48Å; W61-F148 HydrophobicContact CE3-CG 3.48Å; W61-F148 VanDerWaalsContact CE3-CG 3.48Å; W61-F148 AromaticContact CE3-CZ 3.58Å; W61-F148 HydrophobicContact CE3-CZ 3.58Å; W61-F148 HydrophobicContact CH2-CB 4.1Å; W61-F148 AromaticContact CH2-CD2 3.22Å; W61-F148 HydrophobicContact CH2-CD2 3.22Å; W61-F148 AromaticContact CH2-CE2 3.61Å; W61-F148 HydrophobicContact CH2-CE2 3.61Å; W61-F148 AromaticContact CH2-CG 3.74Å; W61-F148 HydrophobicContact CH2-CG 3.74Å; W61-F148 HydrophobicContact CH2-CZ 4.39Å; W61-F148 AromaticContact CZ2-CD2 3.9Å; W61-F148 HydrophobicContact CZ2-CD2 3.9Å; W61-F148 AromaticContact CZ2-CE2 3.78Å; W61-F148 HydrophobicContact CZ2-CE2 3.78Å; W61-F148 HydrophobicContact CZ2-CZ 4.46Å; W61-F148 HydrophobicContact CZ3-CB 3.42Å; W61-F148 VanDerWaalsContact CZ3-CB 3.42Å; W61-F148 AromaticContact CZ3-CD1 3.57Å; W61-F148 HydrophobicContact CZ3-CD1 3.57Å; W61-F148 AromaticContact CZ3-CD2 3.08Å; W61-F148 HydrophobicContact CZ3-CD2 3.08Å; W61-F148 AromaticContact CZ3-CE1 3.98Å; W61-F148 HydrophobicContact CZ3-CE1 3.98Å; W61-F148 AromaticContact CZ3-CE2 3.58Å; W61-F148 HydrophobicContact CZ3-CE2 3.58Å; W61-F148 AromaticContact CZ3-CG 3.08Å; W61-F148 HydrophobicContact CZ3-CG 3.08Å; W61-F148 HydrophobicContact CZ3-CZ 4.01Å; A144-F148 PolarHBondContact O-N 3.43Å; T145-F148 PolarHBondContact O-N 2.95Å; I146-F148 PolarHBondContact O-N 2.97Å; F148-G150 PolarHBondContact O-N 2.86Å; F148-G150 VanDerWaalsContact O-N 3.16Å; F148-T151 HydrophobicContact CE2-CG2 4.09Å; F148-T151 HydrophobicContact CZ-CG2 4.36Å; F148-T151 PolarHBondContact O-N 3.43Å; F148-N152 HydrophobicContact CE1-CB 4.34Å; F148-N152 PolarHBondContact O-N 3.46Å; F148-S155 WeakPolarHBondContact CE1-OG 3.32Å |
| 149 | F | 71 | Confident | 70.4 | Confident | 85 Ų | 85 | 49.6 Ų | 49.6 | 37% | 0.373 | 30% | 0.297 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -57.3 | -26.5 | 172 | -89.5 | -85.3 | 0 | 0 | 0 | 112.7 | T145 I146 A156 L160 | T145-F149 HydrophobicContact CG2-CE2 4.15Å; T145-F149 VanDerWaalsContact O-CD2 3.23Å; T145-F149 WeakPolarHBondContact O-CD2 3.33Å; I146-F149 PolarHBondContact O-N 3.17Å; F149-A156 HydrophobicContact CD1-CB 4.04Å; F149-A156 HydrophobicContact CD2-CB 3.87Å; F149-A156 HydrophobicContact CE1-CB 4.12Å; F149-A156 HydrophobicContact CE2-CB 3.98Å; F149-A156 HydrophobicContact CG-CB 3.91Å; F149-A156 HydrophobicContact CZ-CB 4.09Å; F149-L160 HydrophobicContact CE2-CD1 4.31Å; F149-L160 HydrophobicContact CE2-CG 4.43Å; F149-L160 HydrophobicContact CZ-CD1 3.81Å; F149-L160 HydrophobicContact CZ-CG 4.36Å |
| 150 | G | 67.6 | Low | 71.9 | Confident | 78 Ų | 78 | 51.5 Ų | 51.5 | 80% | 0.804 | 31% | 0.307 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77.6 | -14 | 176.1 | 0 | 0 | 0 | 0 | 0 | 115.1 | F148 | F148-G150 PolarHBondContact O-N 2.86Å; F148-G150 VanDerWaalsContact O-N 3.16Å |
| 151 | T | 70.9 | Confident | 73.2 | Confident | 89 Ų | 89 | 55.9 Ų | 55.9 | 55% | 0.546 | 33% | 0.329 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -103.9 | -56 | -176.2 | -50.9 | 0 | 0 | 0 | 0 | 111.2 | F148 | F148-T151 HydrophobicContact CE2-CG2 4.09Å; F148-T151 HydrophobicContact CZ-CG2 4.36Å; F148-T151 PolarHBondContact O-N 3.43Å |
| 152 | N | 72.8 | Confident | 74.1 | Confident | 72 Ų | 72 | 55.9 Ų | 55.9 | 39% | 0.385 | 33% | 0.329 | S | S | . | . | trans | -149.2 | 108.1 | -177.9 | -83.4 | -59.4 | 0 | 0 | 0 | 110.5 | G64 F148 G154 S155 A156 | G64-N152 PolarHBondContact O-ND2 3.38Å; F148-N152 HydrophobicContact CE1-CB 4.34Å; F148-N152 PolarHBondContact O-N 3.46Å; N152-G154 VanDerWaalsContact C-N 3.31Å; N152-G154 PolarHBondContact O-N 3.26Å; N152-S155 WeakPolarHBondContact CB-OG 3.5Å; N152-S155 PolarHBondContact O-N 2.81Å; N152-S155 PolarHBondContact O-OG 3.12Å; N152-A156 PolarHBondContact O-N 3.03Å; N152-A156 VanDerWaalsContact O-N 3.11Å | ||
| 153 | I | 78.3 | Confident | 74.6 | Confident | 118 Ų | 118 | 50.5 Ų | 50.5 | 61% | 0.605 | 31% | 0.309 | S | S | * | . | H | α-helix | trans | -59.4 | -42.2 | -177.2 | -64 | 166.1 | 0 | 0 | 0 | 111.1 | S155 A156 V157 | I153-S155 PolarHBondContact O-N 3.09Å; I153-A156 PolarHBondContact O-N 2.99Å; I153-V157 WeakPolarHBondContact O-CG2 3.28Å; I153-V157 PolarHBondContact O-N 2.88Å |
| 154 | G | 76.8 | Confident | 75.3 | Confident | 53 Ų | 53 | 50.3 Ų | 50.3 | 55% | 0.546 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -60.7 | -47 | -177.6 | 0 | 0 | 0 | 0 | 0 | 113.3 | N152 V157 V158 | N152-G154 VanDerWaalsContact C-N 3.31Å; N152-G154 PolarHBondContact O-N 3.26Å; G154-V157 PolarHBondContact O-N 3.11Å; G154-V158 WeakPolarHBondContact O-CG2 3.39Å; G154-V158 PolarHBondContact O-N 3.41Å |
| 155 | S | 75.1 | Confident | 76 | Confident | 11 Ų | 11 | 52.6 Ų | 52.6 | 8% | 0.077 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -68.9 | -34.2 | 176.2 | 37.7 | 0 | 0 | 0 | 0 | 112.9 | F148 N152 I153 V157 V158 M159 | F148-S155 WeakPolarHBondContact CE1-OG 3.32Å; N152-S155 WeakPolarHBondContact CB-OG 3.5Å; N152-S155 PolarHBondContact O-N 2.81Å; N152-S155 PolarHBondContact O-OG 3.12Å; I153-S155 PolarHBondContact O-N 3.09Å; S155-V157 VanDerWaalsContact C-N 3.34Å; S155-V157 PolarHBondContact O-N 2.86Å; S155-V158 PolarHBondContact O-N 3.07Å; S155-M159 WeakPolarHBondContact O-CG 3.4Å; S155-M159 PolarHBondContact O-N 3.33Å; S155-M159 VanDerWaalsContact O-N 3.08Å |
| 156 | A | 73.8 | Confident | 76.7 | Confident | 0 Ų | 0 | 52.7 Ų | 52.7 | 0% | 0 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -63.7 | -39.7 | 176.2 | 0 | 0 | 0 | 0 | 0 | 111.9 | F149 N152 I153 M159 L160 | F149-A156 HydrophobicContact CD1-CB 4.04Å; F149-A156 HydrophobicContact CD2-CB 3.87Å; F149-A156 HydrophobicContact CE1-CB 4.12Å; F149-A156 HydrophobicContact CE2-CB 3.98Å; F149-A156 HydrophobicContact CG-CB 3.91Å; F149-A156 HydrophobicContact CZ-CB 4.09Å; N152-A156 PolarHBondContact O-N 3.03Å; N152-A156 VanDerWaalsContact O-N 3.11Å; I153-A156 PolarHBondContact O-N 2.99Å; A156-M159 PolarHBondContact O-N 3Å; A156-L160 PolarHBondContact O-N 2.91Å; A156-L160 VanDerWaalsContact O-N 3.09Å |
| 157 | V | 82 | Confident | 77.3 | Confident | 79 Ų | 79 | 49.8 Ų | 49.8 | 48% | 0.479 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -62.5 | -43.1 | 174.7 | 173.6 | 0 | 0 | 0 | 0 | 111.5 | I153 G154 S155 M159 L160 | I153-V157 WeakPolarHBondContact O-CG2 3.28Å; I153-V157 PolarHBondContact O-N 2.88Å; G154-V157 PolarHBondContact O-N 3.11Å; S155-V157 VanDerWaalsContact C-N 3.34Å; S155-V157 PolarHBondContact O-N 2.86Å; V157-M159 PolarHBondContact O-N 2.87Å; V157-L160 PolarHBondContact O-N 3.28Å |
| 158 | V | 80.8 | Confident | 78.2 | Confident | 50 Ų | 50 | 48.7 Ų | 48.7 | 30% | 0.303 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -65.2 | -31.3 | 178.6 | 179.4 | 0 | 0 | 0 | 0 | 111.5 | A60 G154 S155 P162 | A60-V158 HydrophobicContact CB-CB 3.91Å; A60-V158 HydrophobicContact CB-CG1 3.59Å; A60-V158 HydrophobicContact CB-CG2 4.41Å; G154-V158 WeakPolarHBondContact O-CG2 3.39Å; G154-V158 PolarHBondContact O-N 3.41Å; S155-V158 PolarHBondContact O-N 3.07Å; V158-P162 WeakPolarHBondContact O-CD 3.42Å |
| 159 | M | 76.6 | Confident | 78.9 | Confident | 0 Ų | 0 | 48.2 Ų | 48.2 | 0% | 0 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -79.7 | -21.2 | 177.6 | -71.6 | 179.3 | 71.7 | 0 | 0 | 114.8 | W61 C139 T145 S155 A156 V157 I161 P162 T163 | W61-M159 HydrophobicContact CB-SD 4Å; W61-M159 HydrophobicContact CD2-CE 4.37Å; W61-M159 HydrophobicContact CD2-SD 4.07Å; W61-M159 HydrophobicContact CE3-CE 3.62Å; W61-M159 HydrophobicContact CE3-SD 3.18Å; W61-M159 HydrophobicContact CG-SD 4.44Å; W61-M159 HydrophobicContact CZ3-CE 3.81Å; W61-M159 HydrophobicContact CZ3-SD 3.77Å; C139-M159 WeakPolarHBondContact O-CE 3.34Å; T145-M159 HydrophobicContact CG2-CB 4.12Å; S155-M159 WeakPolarHBondContact O-CG 3.4Å; S155-M159 PolarHBondContact O-N 3.33Å; S155-M159 VanDerWaalsContact O-N 3.08Å; A156-M159 PolarHBondContact O-N 3Å; V157-M159 PolarHBondContact O-N 2.87Å; M159-I161 PolarHBondContact O-N 3.43Å; M159-P162 WeakPolarHBondContact O-CD 3.44Å; M159-P162 VanDerWaalsContact O-CG 3.29Å; M159-P162 WeakPolarHBondContact O-CG 3.44Å; M159-T163 PolarHBondContact O-N 3.3Å; M159-T163 PolarHBondContact O-OG1 2.86Å |
| 160 | L | 82.3 | Confident | 79.5 | Confident | 50 Ų | 50 | 44.8 Ų | 44.8 | 26% | 0.262 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -61 | -33.3 | 170.8 | -81.2 | 176.1 | 0 | 0 | 0 | 111.9 | W142 T145 F149 A156 V157 T163 V164 | W142-L160 HydrophobicContact CZ3-CD2 4.21Å; T145-L160 HydrophobicContact CG2-CB 4.43Å; T145-L160 HydrophobicContact CG2-CD2 3.57Å; T145-L160 HydrophobicContact CG2-CG 3.65Å; F149-L160 HydrophobicContact CE2-CD1 4.31Å; F149-L160 HydrophobicContact CE2-CG 4.43Å; F149-L160 HydrophobicContact CZ-CD1 3.81Å; F149-L160 HydrophobicContact CZ-CG 4.36Å; A156-L160 PolarHBondContact O-N 2.91Å; A156-L160 VanDerWaalsContact O-N 3.09Å; V157-L160 PolarHBondContact O-N 3.28Å; L160-T163 PolarHBondContact O-N 3.09Å; L160-V164 VanDerWaalsContact O-CG2 3.31Å; L160-V164 WeakPolarHBondContact O-CG2 3.27Å; L160-V164 PolarHBondContact O-N 3.35Å |
| 161 | I | 84.6 | Confident | 80.4 | Confident | 91 Ų | 91 | 44.8 Ų | 44.8 | 47% | 0.467 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -58.9 | -57.6 | -179.1 | -53.9 | 172.2 | 0 | 0 | 0 | 111.3 | V53 M159 T163 V164 M165 | V53-I161 HydrophobicContact CG1-CG2 3.88Å; M159-I161 PolarHBondContact O-N 3.43Å; I161-T163 VanDerWaalsContact C-N 3.33Å; I161-T163 PolarHBondContact O-N 3.41Å; I161-V164 PolarHBondContact O-N 3.42Å; I161-M165 WeakPolarHBondContact O-CG 3.46Å; I161-M165 PolarHBondContact O-N 3.13Å |
| 162 | P | 80.4 | Confident | 81 | Confident | 1 Ų | 1 | 45.6 Ų | 45.6 | 1% | 0.006 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -63.7 | -34.4 | 175.7 | 22.2 | -30.8 | 0 | 0 | 0 | 113 | V53 N54 V158 M159 V164 M165 F166 | V53-P162 HydrophobicContact CG1-CB 4.18Å; N54-P162 HydrophobicContact CB-CB 4.19Å; V158-P162 WeakPolarHBondContact O-CD 3.42Å; M159-P162 WeakPolarHBondContact O-CD 3.44Å; M159-P162 VanDerWaalsContact O-CG 3.29Å; M159-P162 WeakPolarHBondContact O-CG 3.44Å; P162-V164 PolarHBondContact O-N 3.4Å; P162-M165 PolarHBondContact O-N 3.05Å; P162-F166 HydrophobicContact CB-CE2 4.47Å; P162-F166 WeakPolarHBondContact O-CD2 3.23Å; P162-F166 PolarHBondContact O-N 3.03Å |
| 163 | T | 80.8 | Confident | 81.4 | Confident | 0 Ų | 0 | 42.2 Ų | 42.2 | 0% | 0 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -61.1 | -44.7 | 176.6 | -60.8 | 0 | 0 | 0 | 0 | 112.7 | S140 W142 T145 M159 L160 I161 M165 F166 T167 | S140-T163 VanDerWaalsContact O-CA 3.3Å; S140-T163 WeakPolarHBondContact O-CA 3.11Å; S140-T163 WeakPolarHBondContact O-CB 3.21Å; S140-T163 PolarHBondContact O-OG1 3.01Å; W142-T163 HydrophobicContact CB-CG2 4.39Å; W142-T163 HydrophobicContact CD2-CG2 3.81Å; W142-T163 HydrophobicContact CG-CG2 3.72Å; T145-T163 PolarHBondContact OG1-OG1 3.38Å; M159-T163 PolarHBondContact O-N 3.3Å; M159-T163 PolarHBondContact O-OG1 2.86Å; L160-T163 PolarHBondContact O-N 3.09Å; I161-T163 VanDerWaalsContact C-N 3.33Å; I161-T163 PolarHBondContact O-N 3.41Å; T163-M165 VanDerWaalsContact C-N 3.35Å; T163-F166 PolarHBondContact O-N 3.03Å; T163-T167 PolarHBondContact O-N 2.84Å; T163-T167 VanDerWaalsContact O-N 3.1Å; T163-T167 PolarHBondContact O-OG1 2.85Å |
| 164 | V | 85.7 | Confident | 81.7 | Confident | 69 Ų | 69 | 42.3 Ų | 42.3 | 42% | 0.418 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -64.9 | -42.8 | 175.5 | 172.6 | 0 | 0 | 0 | 0 | 110.1 | W142 L160 I161 P162 F166 T167 V168 | W142-V164 HydrophobicContact CZ2-CG2 4.46Å; L160-V164 VanDerWaalsContact O-CG2 3.31Å; L160-V164 WeakPolarHBondContact O-CG2 3.27Å; L160-V164 PolarHBondContact O-N 3.35Å; I161-V164 PolarHBondContact O-N 3.42Å; P162-V164 PolarHBondContact O-N 3.4Å; V164-F166 PolarHBondContact O-N 3.48Å; V164-T167 WeakPolarHBondContact O-CB 3.29Å; V164-T167 PolarHBondContact O-N 3.32Å; V164-V168 HydrophobicContact CG1-CG2 4.33Å; V164-V168 WeakPolarHBondContact O-CG2 3.48Å; V164-V168 PolarHBondContact O-N 2.88Å |
| 165 | M | 82.2 | Confident | 82.1 | Confident | 61 Ų | 61 | 43.8 Ų | 43.8 | 30% | 0.3 | 24% | 0.236 | S | C | . | . | H | α-helix | trans | -62.1 | -41.1 | 177.3 | -73.8 | -172.1 | 154.3 | 0 | 0 | 113 | T50 V53 I161 P162 T163 T167 V168 M169 | T50-M165 HydrophobicContact CG2-CB 3.78Å; V53-M165 HydrophobicContact CB-SD 3.97Å; V53-M165 HydrophobicContact CG1-SD 3.93Å; V53-M165 HydrophobicContact CG2-CE 4.47Å; V53-M165 HydrophobicContact CG2-SD 3.88Å; I161-M165 WeakPolarHBondContact O-CG 3.46Å; I161-M165 PolarHBondContact O-N 3.13Å; P162-M165 PolarHBondContact O-N 3.05Å; T163-M165 VanDerWaalsContact C-N 3.35Å; M165-T167 VanDerWaalsContact C-N 3.33Å; M165-T167 PolarHBondContact O-N 3.26Å; M165-V168 PolarHBondContact O-N 3.02Å; M165-M169 VanDerWaalsContact O-CB 3.3Å; M165-M169 WeakPolarHBondContact O-CB 3.13Å; M165-M169 PolarHBondContact O-N 3.19Å |
| 166 | F | 81.4 | Confident | 82.3 | Confident | 1 Ų | 1 | 43.8 Ų | 43.8 | 0% | 0.004 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -63.3 | -38.5 | 174 | -81.5 | -63.7 | 0 | 0 | 0 | 112.4 | T50 L51 N54 Q122 A123 P162 T163 V164 M169 A170 | T50-F166 HydrophobicContact CG2-CD1 3.64Å; T50-F166 HydrophobicContact CG2-CD2 4.11Å; T50-F166 HydrophobicContact CG2-CE1 3.7Å; T50-F166 HydrophobicContact CG2-CE2 4.16Å; T50-F166 HydrophobicContact CG2-CG 3.84Å; T50-F166 HydrophobicContact CG2-CZ 3.97Å; L51-F166 HydrophobicContact CD2-CE1 4.43Å; L51-F166 HydrophobicContact CD2-CZ 4.32Å; N54-F166 HydrophobicContact CB-CE2 3.75Å; N54-F166 HydrophobicContact CB-CZ 3.9Å; Q122-F166 HydrophobicContact CB-CD1 3.97Å; Q122-F166 HydrophobicContact CB-CE1 4.1Å; Q122-F166 HydrophobicContact CB-CG 4.35Å; Q122-F166 VanDerWaalsContact OE1-CE1 3.28Å; A123-F166 HydrophobicContact CB-CB 4.16Å; P162-F166 HydrophobicContact CB-CE2 4.47Å; P162-F166 WeakPolarHBondContact O-CD2 3.23Å; P162-F166 PolarHBondContact O-N 3.03Å; T163-F166 PolarHBondContact O-N 3.03Å; V164-F166 PolarHBondContact O-N 3.48Å; F166-M169 PolarHBondContact O-N 3.36Å; F166-A170 PolarHBondContact O-N 3.36Å |
| 167 | T | 84.5 | Confident | 82.7 | Confident | 45 Ų | 45 | 44.6 Ų | 44.6 | 28% | 0.276 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -64 | -47.1 | 175.8 | -53.4 | 0 | 0 | 0 | 0 | 110.7 | W142 T163 V164 M165 M169 A170 V171 | W142-T167 PolarHBondContact NE1-OG1 3.18Å; W142-T167 VanDerWaalsContact NE1-OG1 3.12Å; T163-T167 PolarHBondContact O-N 2.84Å; T163-T167 VanDerWaalsContact O-N 3.1Å; T163-T167 PolarHBondContact O-OG1 2.85Å; V164-T167 WeakPolarHBondContact O-CB 3.29Å; V164-T167 PolarHBondContact O-N 3.32Å; M165-T167 VanDerWaalsContact C-N 3.33Å; M165-T167 PolarHBondContact O-N 3.26Å; T167-M169 VanDerWaalsContact C-N 3.3Å; T167-M169 PolarHBondContact O-N 3.18Å; T167-A170 PolarHBondContact O-N 2.82Å; T167-V171 WeakPolarHBondContact O-CG2 3.4Å; T167-V171 PolarHBondContact O-N 3Å |
| 168 | V | 86.8 | Confident | 82.7 | Confident | 58 Ų | 58 | 42.6 Ų | 42.6 | 35% | 0.352 | 23% | 0.231 | S | C | . | . | H | α-helix | trans | -60.1 | -42 | 175.8 | 169.6 | 0 | 0 | 0 | 0 | 110.9 | V164 M165 V171 F172 | V164-V168 HydrophobicContact CG1-CG2 4.33Å; V164-V168 WeakPolarHBondContact O-CG2 3.48Å; V164-V168 PolarHBondContact O-N 2.88Å; M165-V168 PolarHBondContact O-N 3.02Å; V168-V171 PolarHBondContact O-N 2.99Å; V168-F172 HydrophobicContact CG1-CD2 3.45Å; V168-F172 VanDerWaalsContact CG1-CD2 3.45Å; V168-F172 HydrophobicContact CG1-CE2 3.35Å; V168-F172 VanDerWaalsContact O-CD2 3.28Å; V168-F172 WeakPolarHBondContact O-CD2 3.41Å; V168-F172 PolarHBondContact O-N 3.11Å |
| 169 | M | 83.3 | Confident | 82.5 | Confident | 2 Ų | 2 | 42.9 Ų | 42.9 | 1% | 0.01 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -62.1 | -43.8 | 176.7 | -176.8 | 60.6 | -167.7 | 0 | 0 | 112.2 | L43 L46 N47 M165 F166 T167 V171 F172 S173 | L43-M169 HydrophobicContact CD2-CE 3.4Å; L43-M169 VanDerWaalsContact CD2-CE 3.4Å; L43-M169 HydrophobicContact CD2-SD 4.34Å; L43-M169 HydrophobicContact CG-CE 3.94Å; L43-M169 HydrophobicContact CG-SD 4.23Å; L43-M169 WeakPolarHBondContact O-CE 3.24Å; L46-M169 HydrophobicContact CB-SD 4.35Å; L46-M169 HydrophobicContact CD2-SD 4Å; L46-M169 HydrophobicContact CG-SD 4.19Å; N47-M169 HydrophobicContact CB-CE 3.53Å; N47-M169 HydrophobicContact CB-SD 4.2Å; M165-M169 VanDerWaalsContact O-CB 3.3Å; M165-M169 WeakPolarHBondContact O-CB 3.13Å; M165-M169 PolarHBondContact O-N 3.19Å; F166-M169 PolarHBondContact O-N 3.36Å; T167-M169 VanDerWaalsContact C-N 3.3Å; T167-M169 PolarHBondContact O-N 3.18Å; M169-V171 PolarHBondContact O-N 2.75Å; M169-F172 PolarHBondContact O-N 3.31Å; M169-S173 WeakPolarHBondContact CE-OG 3.31Å; M169-S173 VanDerWaalsContact O-CB 3.25Å; M169-S173 WeakPolarHBondContact O-CB 3.3Å; M169-S173 PolarHBondContact O-N 3.3Å; M169-S173 PolarHBondContact O-OG 3.32Å |
| 170 | A | 82.8 | Confident | 82.4 | Confident | 12 Ų | 12 | 43.2 Ų | 43.2 | 10% | 0.099 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -62.3 | -43.4 | 177 | 0 | 0 | 0 | 0 | 0 | 111.6 | L116 I120 F166 T167 S173 F174 | L116-A170 WeakPolarHBondContact CD1-O 3.19Å; I120-A170 HydrophobicContact CG1-CB 4.19Å; F166-A170 PolarHBondContact O-N 3.36Å; T167-A170 PolarHBondContact O-N 2.82Å; A170-S173 PolarHBondContact O-N 3.38Å; A170-F174 PolarHBondContact O-N 2.92Å |
| 171 | V | 86.6 | Confident | 82 | Confident | 79 Ų | 79 | 45 Ų | 45 | 48% | 0.479 | 24% | 0.238 | S | C | . | . | H | α-helix | trans | -63.5 | -49.5 | 177.4 | 173.4 | 0 | 0 | 0 | 0 | 111.3 | T167 V168 M169 S173 F174 I175 | T167-V171 WeakPolarHBondContact O-CG2 3.4Å; T167-V171 PolarHBondContact O-N 3Å; V168-V171 PolarHBondContact O-N 2.99Å; M169-V171 PolarHBondContact O-N 2.75Å; V171-S173 VanDerWaalsContact C-N 3.29Å; V171-S173 PolarHBondContact O-N 3.11Å; V171-F174 PolarHBondContact O-N 2.95Å; V171-I175 HydrophobicContact CG1-CD1 3.92Å; V171-I175 WeakPolarHBondContact O-CG1 3.17Å; V171-I175 PolarHBondContact O-N 3.11Å |
| 172 | F | 83.3 | Confident | 81.4 | Confident | 106 Ų | 106 | 48.1 Ų | 48.1 | 47% | 0.465 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -63.3 | -37 | 177.9 | -80.7 | -55.9 | 0 | 0 | 0 | 112.2 | L43 L46 V168 M169 F174 I175 A176 | L43-F172 HydrophobicContact CD1-CB 3.85Å; L43-F172 WeakPolarHBondContact CD1-O 3.08Å; L46-F172 HydrophobicContact CD2-CD2 3.96Å; V168-F172 HydrophobicContact CG1-CD2 3.45Å; V168-F172 VanDerWaalsContact CG1-CD2 3.45Å; V168-F172 HydrophobicContact CG1-CE2 3.35Å; V168-F172 VanDerWaalsContact O-CD2 3.28Å; V168-F172 WeakPolarHBondContact O-CD2 3.41Å; V168-F172 PolarHBondContact O-N 3.11Å; M169-F172 PolarHBondContact O-N 3.31Å; F172-F174 VanDerWaalsContact C-N 3.34Å; F172-I175 PolarHBondContact O-N 3.08Å; F172-A176 WeakPolarHBondContact O-CB 3.27Å; F172-A176 PolarHBondContact O-N 3.18Å |
| 173 | S | 82.3 | Confident | 80.8 | Confident | 1 Ų | 1 | 51.3 Ų | 51.3 | 1% | 0.007 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -63.2 | -42.3 | 175.9 | -60.8 | 0 | 0 | 0 | 0 | 111.2 | F112 M169 A170 V171 A176 L177 | F112-S173 WeakPolarHBondContact CE1-O 3.1Å; M169-S173 WeakPolarHBondContact CE-OG 3.31Å; M169-S173 VanDerWaalsContact O-CB 3.25Å; M169-S173 WeakPolarHBondContact O-CB 3.3Å; M169-S173 PolarHBondContact O-N 3.3Å; M169-S173 PolarHBondContact O-OG 3.32Å; A170-S173 PolarHBondContact O-N 3.38Å; V171-S173 VanDerWaalsContact C-N 3.29Å; V171-S173 PolarHBondContact O-N 3.11Å; S173-A176 PolarHBondContact O-N 3.48Å; S173-L177 WeakPolarHBondContact O-CB 3.05Å; S173-L177 PolarHBondContact O-N 3.49Å |
| 174 | F | 84.5 | Confident | 80 | Confident | 120 Ų | 120 | 54.1 Ų | 54.1 | 53% | 0.526 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -64 | -42.6 | 175.8 | -176.4 | -99.4 | 0 | 0 | 0 | 112.5 | L116 A170 V171 F172 L177 S178 | L116-F174 HydrophobicContact CD1-CB 4.21Å; L116-F174 HydrophobicContact CD2-CD2 4.19Å; A170-F174 PolarHBondContact O-N 2.92Å; V171-F174 PolarHBondContact O-N 2.95Å; F172-F174 VanDerWaalsContact C-N 3.34Å; F174-L177 PolarHBondContact O-N 3.25Å; F174-S178 WeakPolarHBondContact O-CB 3.48Å; F174-S178 PolarHBondContact O-N 3.25Å; F174-S178 PolarHBondContact O-OG 3.11Å |
| 175 | I | 84.6 | Confident | 78.9 | Confident | 83 Ų | 83 | 59.9 Ų | 59.9 | 43% | 0.426 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -63 | -46.3 | 176.3 | -66.7 | 167.3 | 0 | 0 | 0 | 110.4 | V171 F172 L177 S178 M179 | V171-I175 HydrophobicContact CG1-CD1 3.92Å; V171-I175 WeakPolarHBondContact O-CG1 3.17Å; V171-I175 PolarHBondContact O-N 3.11Å; F172-I175 PolarHBondContact O-N 3.08Å; I175-L177 PolarHBondContact O-N 2.87Å; I175-S178 PolarHBondContact O-N 3.39Å; I175-M179 VanDerWaalsContact O-CB 3.28Å; I175-M179 WeakPolarHBondContact O-CB 3.43Å; I175-M179 PolarHBondContact O-N 3.29Å |
| 176 | A | 79.9 | Confident | 77.7 | Confident | 12 Ų | 12 | 60.2 Ų | 60.2 | 10% | 0.099 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -61.5 | -44.8 | 178.6 | 0 | 0 | 0 | 0 | 0 | 111.4 | L40 L43 F112 F172 S173 S178 M179 V180 | L40-A176 HydrophobicContact CD2-CB 4.33Å; L43-A176 HydrophobicContact CD1-CB 3.77Å; F112-A176 HydrophobicContact CE1-CB 4.22Å; F112-A176 HydrophobicContact CZ-CB 4.21Å; F172-A176 WeakPolarHBondContact O-CB 3.27Å; F172-A176 PolarHBondContact O-N 3.18Å; S173-A176 PolarHBondContact O-N 3.48Å; A176-S178 PolarHBondContact O-N 2.87Å; A176-M179 PolarHBondContact O-N 3.46Å; A176-V180 WeakPolarHBondContact O-CG2 3.4Å; A176-V180 PolarHBondContact O-N 3.06Å |
| 177 | L | 82.3 | Confident | 76.3 | Confident | 16 Ų | 16 | 63.9 Ų | 63.9 | 8% | 0.084 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -60.8 | -46.6 | 176.3 | -169.8 | 149.2 | 0 | 0 | 0 | 111.1 | F112 M113 S173 F174 I175 M179 V180 H181 | F112-L177 HydrophobicContact CD1-CB 3.98Å; F112-L177 HydrophobicContact CD1-CD1 3.96Å; F112-L177 HydrophobicContact CD1-CG 4.29Å; F112-L177 HydrophobicContact CE1-CB 3.93Å; M113-L177 HydrophobicContact CE-CD1 3.91Å; M113-L177 HydrophobicContact CE-CD2 4.13Å; M113-L177 HydrophobicContact CG-CD1 3.83Å; M113-L177 HydrophobicContact SD-CD1 3.97Å; S173-L177 WeakPolarHBondContact O-CB 3.05Å; S173-L177 PolarHBondContact O-N 3.49Å; F174-L177 PolarHBondContact O-N 3.25Å; I175-L177 PolarHBondContact O-N 2.87Å; L177-M179 VanDerWaalsContact C-N 3.29Å; L177-M179 PolarHBondContact O-N 3.33Å; L177-V180 PolarHBondContact O-N 3.29Å; L177-H181 VanDerWaalsContact O-CB 3.24Å; L177-H181 WeakPolarHBondContact O-CB 3.27Å; L177-H181 PolarHBondContact O-N 2.88Å |
| 178 | S | 80.3 | Confident | 74.6 | Confident | 37 Ų | 37 | 64.6 Ų | 64.6 | 26% | 0.259 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -61.6 | -37.7 | 177.9 | -63.6 | 0 | 0 | 0 | 0 | 112.4 | F174 I175 A176 K182 | F174-S178 WeakPolarHBondContact O-CB 3.48Å; F174-S178 PolarHBondContact O-N 3.25Å; F174-S178 PolarHBondContact O-OG 3.11Å; I175-S178 PolarHBondContact O-N 3.39Å; A176-S178 PolarHBondContact O-N 2.87Å; S178-K182 WeakPolarHBondContact O-CB 3.38Å; S178-K182 VanDerWaalsContact O-CG 3.26Å; S178-K182 WeakPolarHBondContact O-CG 3.37Å; S178-K182 PolarHBondContact O-N 3.48Å |
| 179 | M | 77.6 | Confident | 73 | Confident | 57 Ų | 57 | 62.8 Ų | 62.8 | 28% | 0.281 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -69.4 | -45.6 | 179.2 | -175.8 | 171 | -86.2 | 0 | 0 | 111.7 | M36 R39 I175 A176 L177 H181 K182 F183 | M36-M179 HydrophobicContact CE-CE 4.4Å; M36-M179 HydrophobicContact CE-CG 3.37Å; M36-M179 HydrophobicContact CE-SD 3.43Å; M36-M179 WeakPolarHBondContact CE-SD 3.34Å; M36-M179 HydrophobicContact SD-CG 3.49Å; M36-M179 WeakPolarHBondContact SD-CG 3.26Å; M36-M179 HydrophobicContact SD-SD 3.21Å; R39-M179 PolarHBondContact NH1-SD 2.94Å; I175-M179 VanDerWaalsContact O-CB 3.28Å; I175-M179 WeakPolarHBondContact O-CB 3.43Å; I175-M179 PolarHBondContact O-N 3.29Å; A176-M179 PolarHBondContact O-N 3.46Å; L177-M179 VanDerWaalsContact C-N 3.29Å; L177-M179 PolarHBondContact O-N 3.33Å; M179-H181 VanDerWaalsContact C-N 3.34Å; M179-K182 PolarHBondContact O-N 3.47Å; M179-F183 WeakPolarHBondContact O-CB 3.44Å; M179-F183 PolarHBondContact O-N 3.08Å |
| 180 | V | 73.6 | Confident | 71.2 | Confident | 6 Ų | 6 | 65.9 Ų | 65.9 | 4% | 0.036 | 36% | 0.363 | C | S | . | . | H | α-helix | trans | -66.4 | -38.5 | 175.5 | -177.6 | 0 | 0 | 0 | 0 | 110.7 | L40 F105 F108 F109 A176 L177 F183 Y184 | L40-V180 HydrophobicContact CD1-CG2 4.22Å; F105-V180 HydrophobicContact CD1-CG1 4.18Å; F105-V180 HydrophobicContact CE1-CG1 4.01Å; F108-V180 HydrophobicContact CD1-CG1 4.3Å; F108-V180 HydrophobicContact CE1-CB 4.2Å; F108-V180 HydrophobicContact CE1-CG1 3.93Å; F108-V180 HydrophobicContact CE1-CG2 4.12Å; F109-V180 HydrophobicContact CE1-CB 4.24Å; F109-V180 HydrophobicContact CE1-CG1 4.05Å; F109-V180 HydrophobicContact CE2-CG1 4.28Å; F109-V180 HydrophobicContact CZ-CB 4.18Å; F109-V180 HydrophobicContact CZ-CG1 3.6Å; A176-V180 WeakPolarHBondContact O-CG2 3.4Å; A176-V180 PolarHBondContact O-N 3.06Å; L177-V180 PolarHBondContact O-N 3.29Å; V180-F183 WeakPolarHBondContact O-CB 2.88Å; V180-F183 PolarHBondContact O-N 3.48Å; V180-Y184 WeakPolarHBondContact O-CB 3.16Å; V180-Y184 PolarHBondContact O-N 3.07Å |
| 181 | H | 74.5 | Confident | 69.7 | Low | 89 Ų | 89 | 72.8 Ų | 72.8 | 41% | 0.412 | 39% | 0.392 | S | S | . | . | H | α-helix | trans | -65.8 | -42.1 | 176.6 | -172.4 | -108.8 | 0 | 0 | 0 | 112.6 | F109 L177 M179 Y184 R185 | F109-H181 HydrophobicContact CE1-CB 3.95Å; F109-H181 HydrophobicContact CZ-CB 4.23Å; L177-H181 VanDerWaalsContact O-CB 3.24Å; L177-H181 WeakPolarHBondContact O-CB 3.27Å; L177-H181 PolarHBondContact O-N 2.88Å; M179-H181 VanDerWaalsContact C-N 3.34Å; H181-Y184 PolarHBondContact O-N 3.29Å; H181-R185 VanDerWaalsContact CE1-CD 3.48Å; H181-R185 WeakPolarHBondContact CE1-CD 3.16Å; H181-R185 PolarHBondContact O-N 3.21Å |
| 182 | K | 71.6 | Confident | 68.1 | Low | 155 Ų | 155 | 72.7 Ų | 72.7 | 67% | 0.674 | 40% | 0.395 | S | S | * | . | H | α-helix | trans | -63.6 | -40.7 | 173.3 | -78.3 | 177.6 | 179.4 | -177.6 | 0 | 111.8 | S178 M179 R185 G186 | S178-K182 WeakPolarHBondContact O-CB 3.38Å; S178-K182 VanDerWaalsContact O-CG 3.26Å; S178-K182 WeakPolarHBondContact O-CG 3.37Å; S178-K182 PolarHBondContact O-N 3.48Å; M179-K182 PolarHBondContact O-N 3.47Å; K182-R185 PolarHBondContact O-N 3.2Å; K182-G186 PolarHBondContact O-N 3.44Å |
| 183 | F | 68.9 | Low | 67 | Low | 69 Ų | 69 | 73.2 Ų | 73.2 | 30% | 0.303 | 40% | 0.397 | S | S | . | . | H | α-helix | trans | -60.9 | -48.5 | 174.3 | -174.4 | -95.9 | 0 | 0 | 0 | 111.3 | H33 M179 V180 R185 G186 S187 | H33-F183 AromaticContact CE1-CE1 3.6Å; H33-F183 AromaticContact CE1-CZ 3.21Å; H33-F183 WeakPolarHBondContact CE1-CZ 3.24Å; H33-F183 AromaticContact ND1-CE1 3.84Å; H33-F183 AromaticContact ND1-CZ 3.59Å; M179-F183 WeakPolarHBondContact O-CB 3.44Å; M179-F183 PolarHBondContact O-N 3.08Å; V180-F183 WeakPolarHBondContact O-CB 2.88Å; V180-F183 PolarHBondContact O-N 3.48Å; F183-R185 PolarHBondContact O-N 3.17Å; F183-G186 PolarHBondContact O-N 3.45Å; F183-S187 WeakPolarHBondContact O-CB 3.43Å; F183-S187 PolarHBondContact O-N 3.16Å; F183-S187 PolarHBondContact O-OG 3.21Å; F183-S187 VanDerWaalsContact O-OG 3.06Å |
| 184 | Y | 63.8 | Low | 65.7 | Low | 58 Ų | 58 | 74.5 Ų | 74.5 | 23% | 0.227 | 41% | 0.407 | C | S | . | . | H | α-helix | trans | -61.5 | -41.2 | 178.7 | -173.6 | -101.1 | 0 | 0 | 0 | 112.9 | F105 F109 V180 H181 G189 | F105-Y184 HydrophobicContact CB-CE2 4.48Å; F109-Y184 HydrophobicContact CE2-CG 4.36Å; V180-Y184 WeakPolarHBondContact O-CB 3.16Å; V180-Y184 PolarHBondContact O-N 3.07Å; H181-Y184 PolarHBondContact O-N 3.29Å; Y184-G189 WeakPolarHBondContact CE1-O 2.87Å; Y184-G189 PolarHBondContact OH-O 3.43Å |
| 185 | R | 63.3 | Low | 64.3 | Low | 190 Ų | 190 | 74.6 Ų | 74.6 | 72% | 0.717 | 41% | 0.41 | S | S | * | . | H | α-helix | trans | -71.3 | -35.1 | 174.8 | -78.8 | -176.6 | 61.1 | 92.9 | 1 | 113.7 | H181 K182 F183 | H181-R185 VanDerWaalsContact CE1-CD 3.48Å; H181-R185 WeakPolarHBondContact CE1-CD 3.16Å; H181-R185 PolarHBondContact O-N 3.21Å; K182-R185 PolarHBondContact O-N 3.2Å; F183-R185 PolarHBondContact O-N 3.17Å |
| 186 | G | 55.8 | Low | 63.4 | Low | 68 Ų | 68 | 76.4 Ų | 76.4 | 70% | 0.701 | 42% | 0.416 | S | S | * | . | H | α-helix | trans | -73.8 | -29.9 | -179.4 | 0 | 0 | 0 | 0 | 0 | 113.5 | K182 F183 G188 | K182-G186 PolarHBondContact O-N 3.44Å; F183-G186 PolarHBondContact O-N 3.45Å; G186-G188 VanDerWaalsContact C-N 3.25Å; G186-G188 PolarHBondContact O-N 2.99Å |
| 187 | S | 52.7 | Low | 62.5 | Low | 78 Ų | 78 | 78.2 Ų | 78.2 | 55% | 0.545 | 42% | 0.422 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -81.8 | 8.9 | 179.1 | -58.8 | 0 | 0 | 0 | 0 | 114.5 | F183 G189 | F183-S187 WeakPolarHBondContact O-CB 3.43Å; F183-S187 PolarHBondContact O-N 3.16Å; F183-S187 PolarHBondContact O-OG 3.21Å; F183-S187 VanDerWaalsContact O-OG 3.06Å; S187-G189 VanDerWaalsContact C-N 3.28Å; S187-G189 PolarHBondContact O-N 3.4Å |
| 188 | G | 48.5 | Very low | 61.5 | Low | 60 Ų | 60 | 86 Ų | 86 | 62% | 0.619 | 45% | 0.451 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 69.6 | 18 | 176.4 | 0 | 0 | 0 | 0 | 0 | 115.3 | G186 S190 | G186-G188 VanDerWaalsContact C-N 3.25Å; G186-G188 PolarHBondContact O-N 2.99Å; G188-S190 PolarHBondContact O-N 3.26Å |
| 189 | G | 53.7 | Low | 60.6 | Low | 20 Ų | 20 | 89.2 Ų | 89.2 | 21% | 0.206 | 47% | 0.469 | C | S | . | . | trans | -72.5 | 69.6 | 179.1 | 0 | 0 | 0 | 0 | 0 | 112.6 | Y184 S187 | Y184-G189 WeakPolarHBondContact CE1-O 2.87Å; Y184-G189 PolarHBondContact OH-O 3.43Å; S187-G189 VanDerWaalsContact C-N 3.28Å; S187-G189 PolarHBondContact O-N 3.4Å | ||
| 190 | S | 44.8 | Very low | 59.7 | Low | 67 Ų | 67 | 90.7 Ų | 90.7 | 47% | 0.469 | 48% | 0.481 | S | S | . | . | trans | -65.8 | 149.3 | 173.4 | 128.1 | 0 | 0 | 0 | 0 | 109.7 | G188 S192 K193 | G188-S190 PolarHBondContact O-N 3.26Å; S190-S192 PolarHBondContact O-N 2.96Å; S190-S192 WeakPolarHBondContact OG-CB 3.07Å; S190-S192 PolarHBondContact OG-N 3.4Å; S190-K193 PolarHBondContact O-N 2.59Å | ||
| 191 | F | 52.1 | Low | 59 | Low | 157 Ų | 157 | 91.9 Ų | 91.9 | 69% | 0.689 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -43.4 | -27.3 | 170.4 | -133.4 | -95.4 | 0 | 0 | 0 | 112.7 | A194 Q195 | F191-A194 PolarHBondContact O-N 2.91Å; F191-Q195 VanDerWaalsContact O-CB 3.28Å; F191-Q195 WeakPolarHBondContact O-CB 3.39Å; F191-Q195 PolarHBondContact O-N 3.26Å |
| 192 | S | 51.4 | Low | 57.8 | Low | 78 Ų | 78 | 89.9 Ų | 89.9 | 55% | 0.545 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -63.2 | -35.7 | 175.7 | -153.2 | 0 | 0 | 0 | 0 | 113.9 | S190 Q195 E196 | S190-S192 PolarHBondContact O-N 2.96Å; S190-S192 WeakPolarHBondContact OG-CB 3.07Å; S190-S192 PolarHBondContact OG-N 3.4Å; S192-Q195 PolarHBondContact O-N 2.82Å; S192-E196 VanDerWaalsContact O-CB 3.31Å; S192-E196 WeakPolarHBondContact O-CB 3.31Å; S192-E196 PolarHBondContact O-N 3.12Å |
| 193 | K | 60.7 | Low | 57.2 | Low | 116 Ų | 116 | 89.7 Ų | 89.7 | 50% | 0.504 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -75.9 | -36.5 | 176.6 | -167.5 | 176.5 | -179.3 | 179.2 | 0 | 111.6 | S190 Q195 E196 E197 | S190-K193 PolarHBondContact O-N 2.59Å; K193-Q195 VanDerWaalsContact C-N 3.32Å; K193-E196 PolarHBondContact O-N 3.32Å; K193-E197 WeakPolarHBondContact O-CB 3.13Å; K193-E197 WeakPolarHBondContact O-CG 3.45Å; K193-E197 PolarHBondContact O-N 3.43Å |
| 194 | A | 55.6 | Low | 56.3 | Low | 28 Ų | 28 | 93.1 Ų | 93.1 | 23% | 0.231 | 50% | 0.504 | C | S | . | . | H | α-helix | trans | -66.7 | -35.1 | 170.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | F191 W198 | F191-A194 PolarHBondContact O-N 2.91Å; A194-W198 WeakPolarHBondContact O-CB 3.46Å; A194-W198 PolarHBondContact O-N 3.42Å |
| 195 | Q | 55.7 | Low | 55.3 | Low | 123 Ų | 123 | 94.8 Ų | 94.8 | 58% | 0.575 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -69.7 | -39.2 | 173.5 | -171.5 | 168.9 | -21.6 | 0 | 0 | 111.3 | F191 S192 K193 W198 T199 | F191-Q195 VanDerWaalsContact O-CB 3.28Å; F191-Q195 WeakPolarHBondContact O-CB 3.39Å; F191-Q195 PolarHBondContact O-N 3.26Å; S192-Q195 PolarHBondContact O-N 2.82Å; K193-Q195 VanDerWaalsContact C-N 3.32Å; Q195-W198 PolarHBondContact O-N 3.4Å; Q195-T199 HydrophobicContact CG-CG2 4.49Å; Q195-T199 WeakPolarHBondContact O-CB 3.45Å; Q195-T199 VanDerWaalsContact O-CG2 3.28Å; Q195-T199 WeakPolarHBondContact O-CG2 3.25Å; Q195-T199 PolarHBondContact O-N 2.66Å; Q195-T199 PolarHBondContact O-OG1 3.35Å |
| 196 | E | 64.6 | Low | 54.7 | Low | 120 Ų | 120 | 90.6 Ų | 90.6 | 56% | 0.561 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -65.1 | -42.8 | 173.5 | -169.8 | 172 | -165.2 | 0 | 0 | 112.1 | S192 K193 W198 T199 T200 | S192-E196 VanDerWaalsContact O-CB 3.31Å; S192-E196 WeakPolarHBondContact O-CB 3.31Å; S192-E196 PolarHBondContact O-N 3.12Å; K193-E196 PolarHBondContact O-N 3.32Å; E196-W198 VanDerWaalsContact C-N 3.28Å; E196-W198 PolarHBondContact O-N 2.82Å; E196-T199 WeakPolarHBondContact CA-OG1 3.21Å; E196-T199 PolarHBondContact O-N 3.24Å; E196-T199 PolarHBondContact O-OG1 3.36Å; E196-T200 HydrophobicContact CG-CG2 4.18Å; E196-T200 VanDerWaalsContact O-CB 3.23Å; E196-T200 WeakPolarHBondContact O-CB 3.05Å; E196-T200 WeakPolarHBondContact O-CG2 3.45Å; E196-T200 PolarHBondContact O-N 2.88Å; E196-T200 PolarHBondContact O-OG1 3.1Å |
| 197 | E | 60.6 | Low | 54.4 | Low | 50 Ų | 50 | 93.4 Ų | 93.4 | 23% | 0.234 | 51% | 0.509 | C | S | . | . | H | α-helix | trans | -66.5 | -28.8 | 174.2 | -75.5 | 174 | -167.2 | 0 | 0 | 112.9 | S102 K193 | S102-E197 VanDerWaalsContact CB-OE2 3.27Å; S102-E197 WeakPolarHBondContact CB-OE2 3.28Å; S102-E197 PolarHBondContact N-OE2 3.37Å; S102-E197 PolarHBondContact OG-OE2 3.27Å; K193-E197 WeakPolarHBondContact O-CB 3.13Å; K193-E197 WeakPolarHBondContact O-CG 3.45Å; K193-E197 PolarHBondContact O-N 3.43Å |
| 198 | W | 62.4 | Low | 54.6 | Low | 179 Ų | 179 | 93.1 Ų | 93.1 | 68% | 0.678 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -76.6 | -42.6 | 175.3 | -162.6 | -68.2 | 0 | 0 | 0 | 112.1 | F103 A194 Q195 E196 | F103-W198 HydrophobicContact CD2-CE3 4.32Å; F103-W198 HydrophobicContact CD2-CH2 4.48Å; F103-W198 AromaticContact CD2-CZ3 3.67Å; F103-W198 HydrophobicContact CD2-CZ3 3.67Å; F103-W198 HydrophobicContact CE2-CH2 4.09Å; F103-W198 AromaticContact CE2-CZ3 3.71Å; F103-W198 HydrophobicContact CE2-CZ3 3.71Å; A194-W198 WeakPolarHBondContact O-CB 3.46Å; A194-W198 PolarHBondContact O-N 3.42Å; Q195-W198 PolarHBondContact O-N 3.4Å; E196-W198 VanDerWaalsContact C-N 3.28Å; E196-W198 PolarHBondContact O-N 2.82Å |
| 199 | T | 60.2 | Low | 55 | Low | 106 Ų | 106 | 97.3 Ų | 97.3 | 65% | 0.65 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -77.2 | -32.3 | -179.5 | 54.8 | 0 | 0 | 0 | 0 | 112.6 | Q195 E196 | Q195-T199 HydrophobicContact CG-CG2 4.49Å; Q195-T199 WeakPolarHBondContact O-CB 3.45Å; Q195-T199 VanDerWaalsContact O-CG2 3.28Å; Q195-T199 WeakPolarHBondContact O-CG2 3.25Å; Q195-T199 PolarHBondContact O-N 2.66Å; Q195-T199 PolarHBondContact O-OG1 3.35Å; E196-T199 WeakPolarHBondContact CA-OG1 3.21Å; E196-T199 PolarHBondContact O-N 3.24Å; E196-T199 PolarHBondContact O-OG1 3.36Å |
| 200 | T | 60.3 | Low | 55.2 | Low | 87 Ų | 87 | 101.6 Ų | 101.6 | 53% | 0.534 | 52% | 0.522 | S | S | . | . | S | Bend | trans | -82.9 | -9.7 | 179.7 | 58.5 | 0 | 0 | 0 | 0 | 113.7 | E196 A202 | E196-T200 HydrophobicContact CG-CG2 4.18Å; E196-T200 VanDerWaalsContact O-CB 3.23Å; E196-T200 WeakPolarHBondContact O-CB 3.05Å; E196-T200 WeakPolarHBondContact O-CG2 3.45Å; E196-T200 PolarHBondContact O-N 2.88Å; E196-T200 PolarHBondContact O-OG1 3.1Å; T200-A202 PolarHBondContact O-N 3.44Å; T200-A202 VanDerWaalsContact O-N 3.14Å |
| 201 | G | 57.1 | Low | 55.7 | Low | 31 Ų | 31 | 101.1 Ų | 101.1 | 32% | 0.32 | 52% | 0.522 | S | S | . | . | trans | 66 | 13.2 | -179.5 | 0 | 0 | 0 | 0 | 0 | 114.2 | W203 K204 | G201-W203 PolarHBondContact O-N 3.21Å; G201-K204 PolarHBondContact O-N 2.72Å | ||
| 202 | A | 50.4 | Low | 55.9 | Low | 48 Ų | 48 | 96.6 Ų | 96.6 | 40% | 0.397 | 51% | 0.513 | S | S | . | . | G | 310 helix | trans | -62 | -14.6 | -176.2 | 0 | 0 | 0 | 0 | 0 | 113.7 | T200 K204 | T200-A202 PolarHBondContact O-N 3.44Å; T200-A202 VanDerWaalsContact O-N 3.14Å; A202-K204 PolarHBondContact O-N 3.19Å; A202-K204 VanDerWaalsContact O-N 3.14Å |
| 203 | W | 59.2 | Low | 56.2 | Low | 151 Ų | 151 | 99 Ų | 99 | 57% | 0.572 | 52% | 0.516 | S | S | * | . | G | 310 helix | trans | -66.9 | -7.4 | 176.5 | 66.7 | -80.9 | 0 | 0 | 0 | 114.9 | G201 | G201-W203 PolarHBondContact O-N 3.21Š|
| 204 | K | 48.7 | Very low | 56.2 | Low | 141 Ų | 141 | 98.1 Ų | 98.1 | 61% | 0.613 | 52% | 0.517 | S | S | * | . | G | 310 helix | trans | -119.5 | -10.2 | -166.5 | -105.9 | 177.2 | 173.1 | 175.2 | 0 | 119.1 | G201 A202 | G201-K204 PolarHBondContact O-N 2.72Å; A202-K204 PolarHBondContact O-N 3.19Å; A202-K204 VanDerWaalsContact O-N 3.14Å |
| 205 | N | 43.1 | Very low | 56.4 | Low | 93 Ų | 93 | 99.9 Ų | 99.9 | 50% | 0.497 | 53% | 0.531 | S | S | . | . | trans | -137.6 | 120.9 | -169.4 | -101.3 | -36.2 | 0 | 0 | 0 | 116.7 | H207 V208 | N205-H207 HydrophobicContact CB-CB 4.43Å; N205-H207 PolarHBondContact O-N 2.87Å; N205-V208 HydrophobicContact CB-CB 4.46Å; N205-V208 HydrophobicContact CB-CG2 3.73Å; N205-V208 PolarHBondContact O-N 2.88Å | ||
| 206 | P | 51.8 | Low | 56.4 | Low | 101 Ų | 101 | 97 Ų | 97 | 66% | 0.656 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -54.3 | -28.7 | 162.4 | -21.8 | 32 | 0 | 0 | 0 | 112.8 | V208 Q209 Q210 | P206-V208 VanDerWaalsContact C-N 3.33Å; P206-V208 PolarHBondContact O-N 3.43Å; P206-Q209 WeakPolarHBondContact O-CB 3.21Å; P206-Q209 PolarHBondContact O-N 3.36Å; P206-Q210 PolarHBondContact O-N 3.44Å |
| 207 | H | 49.5 | Very low | 56 | Low | 128 Ų | 128 | 97.1 Ų | 97.1 | 59% | 0.593 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -68.6 | -23.7 | 176.7 | -82.7 | -76.1 | 0 | 0 | 0 | 114.5 | N205 Q210 A211 | N205-H207 HydrophobicContact CB-CB 4.43Å; N205-H207 PolarHBondContact O-N 2.87Å; H207-Q210 PolarHBondContact O-N 3.5Å; H207-A211 VanDerWaalsContact O-CB 3.28Å; H207-A211 WeakPolarHBondContact O-CB 3.44Å; H207-A211 PolarHBondContact O-N 2.96Å |
| 208 | V | 57.1 | Low | 56 | Low | 71 Ų | 71 | 96.7 Ų | 96.7 | 43% | 0.43 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -75.3 | -33 | 177.5 | 177.7 | 0 | 0 | 0 | 0 | 110.4 | N205 P206 Q210 A211 A212 | N205-V208 HydrophobicContact CB-CB 4.46Å; N205-V208 HydrophobicContact CB-CG2 3.73Å; N205-V208 PolarHBondContact O-N 2.88Å; P206-V208 VanDerWaalsContact C-N 3.33Å; P206-V208 PolarHBondContact O-N 3.43Å; V208-Q210 VanDerWaalsContact C-N 3.32Å; V208-A211 PolarHBondContact O-N 2.89Å; V208-A212 VanDerWaalsContact O-CB 3.29Å; V208-A212 WeakPolarHBondContact O-CB 3.42Å; V208-A212 PolarHBondContact O-N 2.96Å |
| 209 | Q | 57.1 | Low | 55.7 | Low | 148 Ų | 148 | 91.4 Ų | 91.4 | 69% | 0.692 | 53% | 0.534 | S | S | * | . | H | α-helix | trans | -64.2 | -40.9 | 171.7 | -152.7 | 170.3 | 12.7 | 0 | 0 | 110.7 | P206 Q213 | P206-Q209 WeakPolarHBondContact O-CB 3.21Å; P206-Q209 PolarHBondContact O-N 3.36Å; Q209-Q213 PolarHBondContact O-N 3.24Å |
| 210 | Q | 56.9 | Low | 55.5 | Low | 111 Ų | 111 | 89.4 Ų | 89.4 | 52% | 0.519 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -71.9 | -34 | 175.8 | -156.9 | 166.9 | 7.6 | 0 | 0 | 112.9 | P206 H207 V208 Q213 N214 | P206-Q210 PolarHBondContact O-N 3.44Å; H207-Q210 PolarHBondContact O-N 3.5Å; V208-Q210 VanDerWaalsContact C-N 3.32Å; Q210-Q213 PolarHBondContact O-N 2.92Å; Q210-N214 WeakPolarHBondContact O-CB 3.27Å; Q210-N214 PolarHBondContact O-N 3.1Å |
| 211 | A | 56.2 | Low | 55.1 | Low | 57 Ų | 57 | 92.3 Ų | 92.3 | 47% | 0.471 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -71.2 | -37.4 | 173.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | H207 V208 N214 A215 | H207-A211 VanDerWaalsContact O-CB 3.28Å; H207-A211 WeakPolarHBondContact O-CB 3.44Å; H207-A211 PolarHBondContact O-N 2.96Å; V208-A211 PolarHBondContact O-N 2.89Å; A211-N214 PolarHBondContact O-N 3.45Å; A211-A215 VanDerWaalsContact O-CB 3.29Å; A211-A215 WeakPolarHBondContact O-CB 3.45Å; A211-A215 PolarHBondContact O-N 3.26Å |
| 212 | A | 55.8 | Low | 55 | Low | 61 Ų | 61 | 93.2 Ų | 93.2 | 50% | 0.504 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -65.6 | -39.3 | 172.5 | 0 | 0 | 0 | 0 | 0 | 111.4 | V208 A215 A216 | V208-A212 VanDerWaalsContact O-CB 3.29Å; V208-A212 WeakPolarHBondContact O-CB 3.42Å; V208-A212 PolarHBondContact O-N 2.96Å; A212-A215 PolarHBondContact O-N 3.43Å; A212-A216 WeakPolarHBondContact O-CB 3.46Å; A212-A216 PolarHBondContact O-N 3.48Å |
| 213 | Q | 57.6 | Low | 55.1 | Low | 130 Ų | 130 | 94.3 Ų | 94.3 | 61% | 0.607 | 55% | 0.554 | S | S | * | * | H | α-helix | trans | -65.2 | -42.1 | 172.2 | -113.9 | 162.9 | -35.5 | 0 | 0 | 112.3 | Q209 Q210 A216 M217 | Q209-Q213 PolarHBondContact O-N 3.24Å; Q210-Q213 PolarHBondContact O-N 2.92Å; Q213-A216 PolarHBondContact O-N 3.38Å; Q213-M217 WeakPolarHBondContact O-CG 3.47Å; Q213-M217 PolarHBondContact O-N 3.05Å |
| 214 | N | 59.6 | Low | 54.8 | Low | 97 Ų | 97 | 95.4 Ų | 95.4 | 52% | 0.519 | 57% | 0.568 | S | S | . | * | H | α-helix | trans | -68 | -35.8 | 176.1 | -77.9 | -15.4 | 0 | 0 | 0 | 112.7 | Q210 A211 M217 G218 | Q210-N214 WeakPolarHBondContact O-CB 3.27Å; Q210-N214 PolarHBondContact O-N 3.1Å; A211-N214 PolarHBondContact O-N 3.45Å; N214-M217 PolarHBondContact O-N 3.02Å; N214-G218 PolarHBondContact O-N 3.28Å |
| 215 | A | 60.3 | Low | 54.8 | Low | 65 Ų | 65 | 95.5 Ų | 95.5 | 54% | 0.537 | 58% | 0.575 | S | S | . | * | H | α-helix | trans | -68.7 | -38.4 | 174.2 | 0 | 0 | 0 | 0 | 0 | 111.8 | A211 A212 G218 A219 | A211-A215 VanDerWaalsContact O-CB 3.29Å; A211-A215 WeakPolarHBondContact O-CB 3.45Å; A211-A215 PolarHBondContact O-N 3.26Å; A212-A215 PolarHBondContact O-N 3.43Å; A215-G218 PolarHBondContact O-N 3.39Å; A215-A219 WeakPolarHBondContact O-CB 3.38Å; A215-A219 PolarHBondContact O-N 3.04Å |
| 216 | A | 55.5 | Low | 54.8 | Low | 62 Ų | 62 | 98.8 Ų | 98.8 | 51% | 0.512 | 59% | 0.587 | S | S | . | * | H | α-helix | trans | -65.1 | -39.8 | 173.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | A212 Q213 A219 A220 | A212-A216 WeakPolarHBondContact O-CB 3.46Å; A212-A216 PolarHBondContact O-N 3.48Å; Q213-A216 PolarHBondContact O-N 3.38Å; A216-A219 PolarHBondContact O-N 3.12Å; A216-A220 PolarHBondContact O-N 3.48Å |
| 217 | M | 57.3 | Low | 54.2 | Low | 123 Ų | 123 | 99.5 Ų | 99.5 | 61% | 0.606 | 59% | 0.592 | S | S | * | * | H | α-helix | trans | -68.6 | -36.8 | 173.8 | -68.4 | -151.4 | -54.4 | 0 | 0 | 112.6 | Q213 N214 A220 Q221 | Q213-M217 WeakPolarHBondContact O-CG 3.47Å; Q213-M217 PolarHBondContact O-N 3.05Å; N214-M217 PolarHBondContact O-N 3.02Å; M217-A220 PolarHBondContact O-N 3.15Å; M217-Q221 PolarHBondContact O-N 3.03Å |
| 218 | G | 59.9 | Low | 53.7 | Low | 41 Ų | 41 | 102.7 Ų | 102.7 | 42% | 0.423 | 61% | 0.607 | S | S | . | * | H | α-helix | trans | -65.6 | -36.9 | 174.1 | 0 | 0 | 0 | 0 | 0 | 113.3 | N214 A215 Q221 G222 | N214-G218 PolarHBondContact O-N 3.28Å; A215-G218 PolarHBondContact O-N 3.39Å; G218-Q221 PolarHBondContact O-N 3.47Å; G218-G222 PolarHBondContact O-N 3.44Å |
| 219 | A | 56.8 | Low | 52.8 | Low | 67 Ų | 67 | 105 Ų | 105 | 55% | 0.554 | 62% | 0.621 | S | S | * | * | H | α-helix | trans | -70.1 | -36.5 | 173.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | A215 A216 G222 A223 | A215-A219 WeakPolarHBondContact O-CB 3.38Å; A215-A219 PolarHBondContact O-N 3.04Å; A216-A219 PolarHBondContact O-N 3.12Å; A219-G222 PolarHBondContact O-N 3.21Å; A219-A223 WeakPolarHBondContact O-CB 3.46Å; A219-A223 PolarHBondContact O-N 2.84Å |
| 220 | A | 54.6 | Low | 51.8 | Low | 64 Ų | 64 | 106.8 Ų | 106.8 | 53% | 0.529 | 63% | 0.63 | S | S | . | * | H | α-helix | trans | -66.6 | -38.8 | 173.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | A216 M217 A223 M224 | A216-A220 PolarHBondContact O-N 3.48Å; M217-A220 PolarHBondContact O-N 3.15Å; A220-A223 PolarHBondContact O-N 3.09Å; A220-M224 PolarHBondContact O-N 3.08Å; A220-M224 VanDerWaalsContact O-N 3.16Å |
| 221 | Q | 53.7 | Low | 51 | Low | 148 Ų | 148 | 111.8 Ų | 111.8 | 69% | 0.692 | 65% | 0.645 | S | S | * | * | H | α-helix | trans | -67.1 | -36.3 | 172.5 | -108.3 | 175.7 | -25.5 | 0 | 0 | 112.6 | M217 G218 M224 N225 | M217-Q221 PolarHBondContact O-N 3.03Å; G218-Q221 PolarHBondContact O-N 3.47Å; Q221-M224 PolarHBondContact O-N 3.04Å; Q221-N225 PolarHBondContact O-N 3.21Å |
| 222 | G | 54.8 | Low | 50.3 | Low | 50 Ų | 50 | 115 Ų | 115 | 52% | 0.515 | 66% | 0.664 | S | S | . | * | H | α-helix | trans | -68 | -33 | 174 | 0 | 0 | 0 | 0 | 0 | 113.7 | G218 A219 | G218-G222 PolarHBondContact O-N 3.44Å; A219-G222 PolarHBondContact O-N 3.21Å |
| 223 | A | 51.9 | Low | 50 | Low | 72 Ų | 72 | 116.7 Ų | 116.7 | 60% | 0.595 | 68% | 0.678 | S | S | * | * | H | α-helix | trans | -75.1 | -25.6 | 175.6 | 0 | 0 | 0 | 0 | 0 | 113.1 | A219 A220 N225 | A219-A223 WeakPolarHBondContact O-CB 3.46Å; A219-A223 PolarHBondContact O-N 2.84Å; A220-A223 PolarHBondContact O-N 3.09Å; A223-N225 VanDerWaalsContact C-N 3.3Å |
| 224 | M | 53.5 | Low | 49.7 | Very low | 174 Ų | 174 | 116.8 Ų | 116.8 | 86% | 0.857 | 69% | 0.688 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -81.2 | -9.7 | 176.3 | -135.6 | 171.9 | -166 | 0 | 0 | 113.4 | A220 Q221 | A220-M224 PolarHBondContact O-N 3.08Å; A220-M224 VanDerWaalsContact O-N 3.16Å; Q221-M224 PolarHBondContact O-N 3.04Å |
| 225 | N | 48.7 | Very low | 49 | Very low | 142 Ų | 142 | 116.5 Ų | 116.5 | 76% | 0.759 | 69% | 0.691 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -108.6 | 22.7 | -177.4 | -124.9 | 7.7 | 0 | 0 | 0 | 113.3 | Q221 A223 P227 | Q221-N225 PolarHBondContact O-N 3.21Å; A223-N225 VanDerWaalsContact C-N 3.3Å; N225-P227 WeakPolarHBondContact O-CD 3.34Å |
| 226 | Q | 41.8 | Very low | 48.1 | Very low | 162 Ų | 162 | 120.5 Ų | 120.5 | 76% | 0.757 | 70% | 0.704 | S | S | * | * | trans | -67.1 | 121.5 | 164.3 | -81.4 | -168.1 | -21 | 0 | 0 | 109.1 | Q228 | Q226-Q228 PolarHBondContact O-N 3.11Š| ||
| 227 | P | 40.2 | Very low | 47.4 | Very low | 116 Ų | 116 | 126.4 Ų | 126.4 | 75% | 0.753 | 71% | 0.714 | S | S | * | * | trans | -62.9 | 131.4 | 172 | 24.8 | -30.1 | 0 | 0 | 0 | 109 | N225 T229 | N225-P227 WeakPolarHBondContact O-CD 3.34Å; P227-T229 PolarHBondContact O-N 3.46Å | ||
| 228 | Q | 37.8 | Very low | 46.8 | Very low | 195 Ų | 195 | 126.4 Ų | 126.4 | 91% | 0.911 | 72% | 0.721 | S | S | * | * | trans | -49.1 | 115.8 | 169.9 | -77.8 | 178.9 | -64.3 | 0 | 0 | 108.9 | Q226 Q230 | Q226-Q228 PolarHBondContact O-N 3.11Å; Q228-Q230 PolarHBondContact O-N 3.04Å | ||
| 229 | T | 39.4 | Very low | 46 | Very low | 119 Ų | 119 | 134.4 Ų | 134.4 | 73% | 0.73 | 74% | 0.74 | S | S | * | * | trans | -63.6 | 106.9 | 172.4 | 31.8 | 0 | 0 | 0 | 0 | 109.1 | P227 Y231 | P227-T229 PolarHBondContact O-N 3.46Å; T229-Y231 PolarHBondContact O-N 3.21Å | ||
| 230 | Q | 36.5 | Very low | 45.4 | Very low | 186 Ų | 186 | 136 Ų | 136 | 87% | 0.869 | 75% | 0.747 | S | S | * | * | trans | -64.4 | 112 | 172 | -173.2 | 175.4 | -17.2 | 0 | 0 | 109 | Q228 S232 | Q228-Q230 PolarHBondContact O-N 3.04Å; Q230-S232 PolarHBondContact O-N 2.73Å | ||
| 231 | Y | 39.9 | Very low | 45 | Very low | 216 Ų | 216 | 140.3 Ų | 140.3 | 85% | 0.847 | 76% | 0.761 | S | S | * | * | P | Polyproline II helix | trans | -61.3 | 121.9 | 174.2 | -65.9 | -88.7 | 0 | 0 | 0 | 109.7 | T229 | T229-Y231 PolarHBondContact O-N 3.21Š|
| 232 | S | 41.6 | Very low | 44.6 | Very low | 124 Ų | 124 | 142.1 Ų | 142.1 | 87% | 0.867 | 77% | 0.77 | S | S | * | * | P | Polyproline II helix | trans | -68.7 | 134.5 | 178.8 | -81.7 | 0 | 0 | 0 | 0 | 111.8 | Q230 | Q230-S232 PolarHBondContact O-N 2.73Š|
| 233 | A | 49.6 | Very low | 44 | Very low | 97 Ų | 97 | 152.3 Ų | 152.3 | 80% | 0.802 | 81% | 0.807 | S | S | * | * | P | Polyproline II helix | trans | -66.2 | 138.9 | 172.7 | 0 | 0 | 0 | 0 | 0 | 111.5 | ||
| 234 | T | 50.9 | Low | 43.6 | Very low | 133 Ų | 133 | 156.3 Ų | 156.3 | 82% | 0.816 | 82% | 0.818 | S | S | * | * | P | Polyproline II helix | trans | -61.3 | 136.9 | 175.9 | 24.7 | 0 | 0 | 0 | 0 | 112.5 | ||
| 235 | P | 44.6 | Very low | 43 | Very low | 90 Ų | 90 | 155.4 Ų | 155.4 | 58% | 0.584 | 82% | 0.816 | S | S | * | * | P | Polyproline II helix | trans | -72.5 | 132 | 173.8 | -6.2 | 21.9 | 0 | 0 | 0 | 111 | Y237 | P235-Y237 HydrophobicContact CB-CE2 4.47Š|
| 236 | N | 41.9 | Very low | 42.7 | Very low | 149 Ų | 149 | 156.1 Ų | 156.1 | 80% | 0.797 | 82% | 0.819 | S | S | * | * | P | Polyproline II helix | trans | -90.7 | 122.4 | 171.2 | -170.3 | 7.2 | 0 | 0 | 0 | 108.9 | ||
| 237 | Y | 40.2 | Very low | 42.8 | Very low | 186 Ų | 186 | 155.8 Ų | 155.8 | 73% | 0.729 | 82% | 0.822 | S | S | * | * | trans | -96.3 | 106.6 | 177.8 | -58.7 | -78.9 | 0 | 0 | 0 | 109.6 | P235 Y239 | P235-Y237 HydrophobicContact CB-CE2 4.47Å; Y237-Y239 PolarHBondContact O-N 3.44Å | ||
| 238 | T | 45 | Very low | 42.9 | Very low | 124 Ų | 124 | 158.3 Ų | 158.3 | 76% | 0.761 | 83% | 0.827 | S | S | * | * | trans | -76.9 | 114.8 | 169.7 | -58.6 | 0 | 0 | 0 | 0 | 109.1 | S240 | T238-S240 PolarHBondContact O-N 2.89Š| ||
| 239 | Y | 42.6 | Very low | 43.3 | Very low | 209 Ų | 209 | 155.8 Ų | 155.8 | 82% | 0.82 | 82% | 0.821 | S | S | * | * | trans | -77.5 | 114.9 | 165 | -99.4 | -93.9 | 0 | 0 | 0 | 109.2 | Y237 N241 | Y237-Y239 PolarHBondContact O-N 3.44Å; Y239-N241 PolarHBondContact O-N 3.3Å | ||
| 240 | S | 44.5 | Very low | 43.6 | Very low | 101 Ų | 101 | 158.4 Ų | 158.4 | 71% | 0.706 | 83% | 0.828 | S | S | * | * | trans | -75.8 | 109.9 | 166.8 | 36.8 | 0 | 0 | 0 | 0 | 109.4 | T238 E242 | T238-S240 PolarHBondContact O-N 2.89Å; S240-E242 PolarHBondContact O-N 3.1Å | ||
| 241 | N | 45.9 | Very low | 44.1 | Very low | 153 Ų | 153 | 156.3 Ų | 156.3 | 82% | 0.818 | 82% | 0.824 | S | S | * | * | trans | -79.9 | 104.6 | 165.2 | -75.2 | -36.6 | 0 | 0 | 0 | 108.3 | Y239 | Y239-N241 PolarHBondContact O-N 3.3Š| ||
| 242 | E | 45.6 | Very low | 44.5 | Very low | 186 Ų | 186 | 151.3 Ų | 151.3 | 87% | 0.869 | 82% | 0.822 | S | S | * | * | trans | -87.9 | 131.8 | 159.3 | -63.6 | -167.2 | 142.7 | 0 | 0 | 108.1 | S240 | S240-E242 PolarHBondContact O-N 3.1Š| ||
| 243 | M | 41.1 | Very low | 44.7 | Very low | 264 Ų | 264 | 153.8 Ų | 153.8 | 100% | 1.3 | 82% | 0.818 | S | S | * | * | trans | -77.2 | 0 | 176 | -64 | 177.7 | -132.3 | 0 | 0 | 111 |
Retrieved 243 of 243 residues in 755.8 ms
(Link to these results)