| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 47.8 | Very low | 50.7 | Low | 240 Ų | 240 | 149.5 Ų | 149.5 | 100% | 1.182 | 83% | 0.83 | S | S | * | * | 0 | 113 | 0 | -84.8 | 173.4 | 172.3 | 0 | 0 | 107.1 | |||||
| 2 | F | 48.3 | Very low | 50.8 | Low | 211 Ų | 211 | 147.4 Ų | 147.4 | 93% | 0.925 | 82% | 0.824 | S | S | * | * | P | Polyproline II helix | trans | -79.6 | 127.6 | -173.2 | -81.1 | -93.2 | 0 | 0 | 0 | 110.8 | ||
| 3 | T | 49.2 | Very low | 50.7 | Low | 135 Ų | 135 | 150 Ų | 150 | 83% | 0.828 | 82% | 0.821 | S | S | * | * | P | Polyproline II helix | trans | -88.7 | 116.9 | 171.7 | -36 | 0 | 0 | 0 | 0 | 108.4 | ||
| 4 | V | 50.4 | Low | 50.5 | Low | 126 Ų | 126 | 150.2 Ų | 150.2 | 76% | 0.764 | 82% | 0.82 | S | S | * | * | P | Polyproline II helix | trans | -79.9 | 121.7 | 178.4 | 177.9 | 0 | 0 | 0 | 0 | 109.2 | ||
| 5 | L | 51.6 | Low | 50.3 | Low | 161 Ų | 161 | 147.5 Ų | 147.5 | 84% | 0.843 | 81% | 0.81 | S | S | * | * | trans | -95 | 114.7 | 167.1 | -112.3 | 120.3 | 0 | 0 | 0 | 108.5 | ||||
| 6 | T | 53.9 | Low | 50.1 | Low | 121 Ų | 121 | 148.7 Ų | 148.7 | 74% | 0.742 | 81% | 0.814 | S | S | * | * | trans | -85 | 116.4 | 176.2 | -17.3 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 7 | I | 55.8 | Low | 49.6 | Very low | 156 Ų | 156 | 147.8 Ų | 147.8 | 80% | 0.8 | 81% | 0.808 | S | S | * | * | trans | -85.4 | 116.7 | 173.4 | -63.3 | 173.2 | 0 | 0 | 0 | 108.2 | S9 | I7-S9 PolarHBondContact O-N 3.04Š| ||
| 8 | F | 50.1 | Low | 49.3 | Very low | 204 Ų | 204 | 145.4 Ų | 145.4 | 90% | 0.895 | 80% | 0.804 | S | S | * | * | trans | -76.4 | 112.9 | 166.8 | -96.6 | -92.1 | 0 | 0 | 0 | 109.3 | ||||
| 9 | S | 47.5 | Very low | 48.8 | Very low | 107 Ų | 107 | 143.5 Ų | 143.5 | 75% | 0.748 | 80% | 0.796 | S | S | * | * | trans | -86.9 | 102.6 | 167.9 | 179.9 | 0 | 0 | 0 | 0 | 109.3 | I7 | I7-S9 PolarHBondContact O-N 3.04Š| ||
| 10 | G | 51.8 | Low | 48.9 | Very low | 68 Ų | 68 | 142.9 Ų | 142.9 | 70% | 0.701 | 79% | 0.789 | S | S | * | * | trans | -78.3 | 115.6 | 169.3 | 0 | 0 | 0 | 0 | 0 | 110.7 | V12 | G10-V12 PolarHBondContact O-N 2.93Š| ||
| 11 | V | 51.6 | Low | 48.9 | Very low | 115 Ų | 115 | 139.2 Ų | 139.2 | 70% | 0.697 | 77% | 0.772 | S | S | * | * | trans | -76.4 | 111.9 | 171 | 175.9 | 0 | 0 | 0 | 0 | 108.5 | F13 | V11-F13 HydrophobicContact CG1-CD2 4.1Å; V11-F13 HydrophobicContact CG1-CE2 4.1Å; V11-F13 PolarHBondContact O-N 2.82Å | ||
| 12 | V | 52.1 | Low | 49.7 | Very low | 125 Ų | 125 | 128.8 Ų | 128.8 | 76% | 0.758 | 72% | 0.721 | S | S | * | * | trans | -83.8 | 107.2 | 170.1 | 176.6 | 0 | 0 | 0 | 0 | 108.2 | G10 L14 | G10-V12 PolarHBondContact O-N 2.93Å; V12-L14 HydrophobicContact CG1-CG 4.49Å; V12-L14 PolarHBondContact O-N 2.8Å | ||
| 13 | F | 49.1 | Very low | 50.8 | Low | 181 Ų | 181 | 124.6 Ų | 124.6 | 79% | 0.794 | 71% | 0.708 | S | S | * | * | trans | -73.2 | 101.8 | 166.2 | -90.6 | -89 | 0 | 0 | 0 | 109.1 | V11 T15 | V11-F13 HydrophobicContact CG1-CD2 4.1Å; V11-F13 HydrophobicContact CG1-CE2 4.1Å; V11-F13 PolarHBondContact O-N 2.82Å; F13-T15 PolarHBondContact O-N 2.85Å | ||
| 14 | L | 47.6 | Very low | 52.4 | Low | 153 Ų | 153 | 119.6 Ų | 119.6 | 80% | 0.801 | 68% | 0.677 | S | S | * | * | trans | -76.4 | 97.8 | 164.3 | -88.7 | 152.6 | 0 | 0 | 0 | 108.4 | V12 L16 | V12-L14 HydrophobicContact CG1-CG 4.49Å; V12-L14 PolarHBondContact O-N 2.8Å; L14-L16 PolarHBondContact O-N 3.13Å; L14-L16 VanDerWaalsContact O-N 3.15Å | ||
| 15 | T | 48.4 | Very low | 54.3 | Low | 109 Ų | 109 | 115.9 Ų | 115.9 | 67% | 0.669 | 66% | 0.664 | S | S | * | * | trans | -71.1 | 102.9 | 166 | 44.6 | 0 | 0 | 0 | 0 | 108.7 | F13 N17 | F13-T15 PolarHBondContact O-N 2.85Å; T15-N17 VanDerWaalsContact C-N 3.25Å; T15-N17 PolarHBondContact O-N 3.07Å | ||
| 16 | L | 46.9 | Very low | 56.3 | Low | 167 Ų | 167 | 110.1 Ų | 110.1 | 87% | 0.874 | 63% | 0.634 | S | S | * | * | trans | -66.5 | 86.6 | 165.9 | -87.3 | 150.4 | 0 | 0 | 0 | 108.4 | L14 S18 | L14-L16 PolarHBondContact O-N 3.13Å; L14-L16 VanDerWaalsContact O-N 3.15Å; L16-S18 PolarHBondContact O-N 2.87Å; L16-S18 VanDerWaalsContact O-N 3.1Å | ||
| 17 | N | 41.6 | Very low | 58.4 | Low | 133 Ų | 133 | 104.8 Ų | 104.8 | 71% | 0.711 | 60% | 0.602 | S | S | * | * | trans | -68.5 | 102.7 | 163.2 | -79.6 | -48.1 | 0 | 0 | 0 | 107.7 | T15 V19 | T15-N17 VanDerWaalsContact C-N 3.25Å; T15-N17 PolarHBondContact O-N 3.07Å; N17-V19 PolarHBondContact O-N 2.79Å | ||
| 18 | S | 43.1 | Very low | 60.3 | Low | 106 Ų | 106 | 103.7 Ų | 103.7 | 74% | 0.741 | 59% | 0.588 | S | S | * | * | trans | -59.2 | 103 | 168.6 | -58.6 | 0 | 0 | 0 | 0 | 108.8 | L16 M20 | L16-S18 PolarHBondContact O-N 2.87Å; L16-S18 VanDerWaalsContact O-N 3.1Å; S18-M20 PolarHBondContact O-N 2.72Å; S18-M20 VanDerWaalsContact O-N 3.14Å | ||
| 19 | V | 39.7 | Very low | 62.6 | Low | 108 Ų | 108 | 96 Ų | 96 | 66% | 0.655 | 56% | 0.557 | S | S | * | * | trans | -71.9 | 106.3 | 175.3 | -179.2 | 0 | 0 | 0 | 0 | 107.6 | N17 C21 | N17-V19 PolarHBondContact O-N 2.79Å; V19-C21 HydrophobicContact CG1-CB 4.32Å; V19-C21 PolarHBondContact O-N 3.42Å | ||
| 20 | M | 52.5 | Low | 65 | Low | 132 Ų | 132 | 90.9 Ų | 90.9 | 65% | 0.65 | 52% | 0.522 | S | S | * | . | trans | -80.6 | 10.1 | -179.6 | -78.6 | -159.1 | -99.4 | 0 | 0 | 114.5 | S18 | S18-M20 PolarHBondContact O-N 2.72Å; S18-M20 VanDerWaalsContact O-N 3.14Å | ||
| 21 | C | 49 | Very low | 67.2 | Low | 65 Ų | 65 | 88 Ų | 88 | 44% | 0.439 | 49% | 0.491 | S | S | . | . | S | Bend | trans | -103.4 | 143.8 | -177.8 | -60.4 | 0 | 0 | 0 | 0 | 111.7 | V19 N23 | V19-C21 HydrophobicContact CG1-CB 4.32Å; V19-C21 PolarHBondContact O-N 3.42Å; C21-N23 PolarHBondContact O-N 2.98Å |
| 22 | L | 63.4 | Low | 69.5 | Low | 21 Ų | 21 | 83 Ų | 83 | 11% | 0.11 | 46% | 0.46 | C | S | . | . | trans | -74.1 | 69.3 | 175.9 | -168.3 | 78.6 | 0 | 0 | 0 | 111.2 | N24 N214 N215 | L22-N24 VanDerWaalsContact C-N 3.35Å; L22-N24 HydrophobicContact CD1-CB 3.9Å; L22-N24 HydrophobicContact CG-CB 4.31Å; L22-N214 WeakPolarHBondContact CA-O 3.47Å; L22-N214 WeakPolarHBondContact CB-O 3.39Å; L22-N214 PolarHBondContact N-O 2.83Å; L22-N215 VanDerWaalsContact CD2-C 3.45Å; L22-N215 WeakPolarHBondContact CD2-O 3.34Å | ||
| 23 | N | 70.8 | Confident | 71.7 | Confident | 123 Ų | 123 | 77 Ų | 77 | 66% | 0.658 | 42% | 0.424 | S | S | * | . | trans | -99.5 | 67 | 156.5 | -172.4 | 9.6 | 0 | 0 | 0 | 108.1 | C21 G25 | C21-N23 PolarHBondContact O-N 2.98Å; N23-G25 PolarHBondContact O-N 2.98Å | ||
| 24 | N | 83 | Confident | 74.1 | Confident | 31 Ų | 31 | 68.4 Ų | 68.4 | 17% | 0.166 | 39% | 0.386 | C | S | . | . | trans | -78.2 | 7.5 | -174.6 | 64.6 | -3.5 | 0 | 0 | 0 | 113.8 | L22 L26 M188 N217 | L22-N24 VanDerWaalsContact C-N 3.35Å; L22-N24 HydrophobicContact CD1-CB 3.9Å; L22-N24 HydrophobicContact CG-CB 4.31Å; N24-L26 PolarHBondContact O-N 3.16Å; N24-L26 PolarHBondContact OD1-N 3.09Å; N24-M188 PolarHBondContact ND2-O 2.86Å; N24-M188 VanDerWaalsContact ND2-O 3.14Å; N24-N217 PolarHBondContact ND2-OD1 2.88Å; N24-N217 PolarHBondContact OD1-ND2 2.89Å | ||
| 25 | G | 89.8 | Confident | 76.5 | Confident | 47 Ų | 47 | 61.4 Ų | 61.4 | 49% | 0.485 | 35% | 0.349 | S | S | . | . | S | Bend | trans | 73.4 | -2.9 | -179.1 | 0 | 0 | 0 | 0 | 0 | 115.3 | N23 R28 | N23-G25 PolarHBondContact O-N 2.98Å; G25-R28 WeakPolarHBondContact O-CG 3.44Å |
| 26 | L | 95.4 | Very high | 78.8 | Confident | 41 Ų | 41 | 56.2 Ų | 56.2 | 22% | 0.215 | 32% | 0.317 | C | S | . | . | trans | -89 | 172.6 | 179.3 | -58.7 | -179.6 | 0 | 0 | 0 | 111.9 | N24 R28 P187 M189 | N24-L26 PolarHBondContact O-N 3.16Å; N24-L26 PolarHBondContact OD1-N 3.09Å; L26-R28 PolarHBondContact O-N 2.78Å; L26-R28 VanDerWaalsContact O-N 3.15Å; L26-P187 HydrophobicContact CD1-CB 4.01Å; L26-P187 HydrophobicContact CD2-CB 4.4Å; L26-P187 HydrophobicContact CG-CB 4.34Å; L26-M189 HydrophobicContact CB-CE 4.18Å; L26-M189 HydrophobicContact CD1-CB 4.24Å | ||
| 27 | A | 96.9 | Very high | 81.1 | Confident | 9 Ų | 9 | 51.1 Ų | 51.1 | 7% | 0.074 | 29% | 0.287 | C | S | . | . | trans | 51.7 | 36.8 | 177.4 | 0 | 0 | 0 | 0 | 0 | 114 | T29 M189 N217 G253 W255 | A27-T29 CarbonylContact C-O 3.54Å; A27-T29 VanDerWaalsContact C-O 3.25Å; A27-T29 WeakPolarHBondContact CA-O 3.39Å; A27-T29 PolarHBondContact O-N 2.99Å; A27-M189 HydrophobicContact CB-CE 3.67Å; A27-M189 HydrophobicContact CB-SD 4.45Å; A27-N217 HydrophobicContact CB-CB 4.04Å; A27-G253 WeakPolarHBondContact O-CA 3.44Å; A27-G253 PolarHBondContact O-N 3.18Å; A27-W255 PolarHBondContact O-NE1 3.45Å | ||
| 28 | R | 96.7 | Very high | 83.6 | Confident | 132 Ų | 132 | 46.8 Ų | 46.8 | 50% | 0.498 | 26% | 0.262 | S | S | . | . | S | Bend | trans | -66 | -25.6 | 178 | -59 | -53.8 | -60.4 | 166.2 | 2.2 | 112.7 | G25 L26 P252 | G25-R28 WeakPolarHBondContact O-CG 3.44Å; L26-R28 PolarHBondContact O-N 2.78Å; L26-R28 VanDerWaalsContact O-N 3.15Å; R28-P252 PolarHBondContact NH1-O 3.2Å |
| 29 | T | 97.5 | Very high | 85.9 | Confident | 42 Ų | 42 | 43.3 Ų | 43.3 | 26% | 0.258 | 23% | 0.234 | S | C | . | . | S | Bend | trans | -123.6 | 164.9 | 159.8 | 56.1 | 0 | 0 | 0 | 0 | 108 | A27 W255 Q314 | A27-T29 CarbonylContact C-O 3.54Å; A27-T29 VanDerWaalsContact C-O 3.25Å; A27-T29 WeakPolarHBondContact CA-O 3.39Å; A27-T29 PolarHBondContact O-N 2.99Å; T29-W255 PolarHBondContact O-NE1 3.25Å; T29-Q314 VanDerWaalsContact CB-OE1 3.29Å; T29-Q314 WeakPolarHBondContact CG2-O 3.35Å; T29-Q314 PolarHBondContact OG1-OE1 2.64Å |
| 30 | P | 98.3 | Very high | 88.5 | Confident | 1 Ų | 1 | 38.4 Ų | 38.4 | 1% | 0.006 | 20% | 0.204 | C | C | . | . | trans | -56.8 | 135.8 | 176.3 | -23.5 | 34.1 | 0 | 0 | 0 | 110.9 | W255 A284 A285 Q314 | P30-W255 HydrophobicContact CB-CD2 4.4Å; P30-W255 HydrophobicContact CG-CD2 3.86Å; P30-W255 HydrophobicContact CG-CE3 3.85Å; P30-W255 HydrophobicContact CG-CG 4.49Å; P30-W255 HydrophobicContact CG-CH2 4.1Å; P30-W255 HydrophobicContact CG-CZ2 4.13Å; P30-W255 HydrophobicContact CG-CZ3 3.98Å; P30-A284 HydrophobicContact CG-CB 4.1Å; P30-A284 WeakPolarHBondContact CG-O 2.96Å; P30-A285 VanDerWaalsContact CB-O 3.26Å; P30-A285 WeakPolarHBondContact CB-O 3.25Å; P30-Q314 PolarHBondContact O-NE2 3.08Å | ||
| 31 | P | 98.4 | Very high | 90.4 | Very high | 7 Ų | 7 | 32.9 Ų | 32.9 | 5% | 0.045 | 18% | 0.181 | C | C | . | . | trans | -71.2 | 145.9 | -179.3 | 27.4 | -31.7 | 0 | 0 | 0 | 111.1 | Y78 M189 L218 P286 L287 | P31-Y78 HydrophobicContact CB-CD2 3.88Å; P31-Y78 HydrophobicContact CB-CE2 3.71Å; P31-M189 HydrophobicContact CB-CE 4.04Å; P31-M189 HydrophobicContact CB-SD 3.73Å; P31-M189 HydrophobicContact CG-CE 4.31Å; P31-M189 HydrophobicContact CG-SD 3.59Å; P31-M189 VanDerWaalsContact CG-SD 3.59Å; P31-L218 HydrophobicContact CG-CD1 3.82Å; P31-L218 HydrophobicContact CG-CD2 4.02Å; P31-L218 HydrophobicContact CG-CG 4.4Å; P31-P286 HydrophobicContact CG-CB 4.01Å; P31-P286 HydrophobicContact CG-CG 4.19Å; P31-P286 CarbonylContact O-C 3.25Å; P31-P286 VanDerWaalsContact O-CA 3.28Å; P31-P286 WeakPolarHBondContact O-CA 3.38Å; P31-L287 PolarHBondContact O-N 2.83Å | ||
| 32 | M | 98.8 | Very high | 92.6 | Very high | 9 Ų | 9 | 32.2 Ų | 32.2 | 4% | 0.044 | 18% | 0.177 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.5 | 139 | 176.6 | -54.6 | 173.6 | 58.4 | 0 | 0 | 109.7 | G75 Y76 K77 Y78 L287 L310 Q314 | M32-G75 WeakPolarHBondContact CB-O 3.14Å; M32-Y76 HydrophobicContact CB-CD1 3.89Å; M32-Y76 HydrophobicContact CB-CE1 4.24Å; M32-Y76 HydrophobicContact CB-CG 4.3Å; M32-Y76 HydrophobicContact CE-CD1 4.05Å; M32-Y76 HydrophobicContact CE-CD2 3.74Å; M32-Y76 HydrophobicContact CE-CE1 3.73Å; M32-Y76 HydrophobicContact CE-CE2 3.41Å; M32-Y76 VanDerWaalsContact CE-CE2 3.41Å; M32-Y76 HydrophobicContact CE-CG 4.05Å; M32-Y76 VanDerWaalsContact CE-CZ 3.4Å; M32-K77 PolarHBondContact O-N 2.89Å; M32-Y78 PolarHBondContact O-N 3Å; M32-L287 WeakPolarHBondContact CA-O 3.43Å; M32-L287 HydrophobicContact CB-CB 4.45Å; M32-L287 HydrophobicContact CE-CD1 4.22Å; M32-L287 HydrophobicContact CG-CB 4.07Å; M32-L287 HydrophobicContact CG-CD1 4.41Å; M32-L287 HydrophobicContact CG-CG 4.48Å; M32-L310 HydrophobicContact CE-CD1 4.35Å; M32-L310 HydrophobicContact CE-CD2 3.54Å; M32-Q314 HydrophobicContact SD-CG 3.93Å |
| 33 | G | 98.7 | Very high | 94 | Very high | 0 Ų | 0 | 36.5 Ų | 36.5 | 0% | 0 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -179.5 | -157.6 | -177.1 | 0 | 0 | 0 | 0 | 0 | 114.1 | Y78 L287 I288 I289 | G33-Y78 CarbonylContact C-O 3.37Å; G33-Y78 WeakPolarHBondContact CA-O 3.32Å; G33-L287 PolarHBondContact N-O 3.48Å; G33-I288 WeakPolarHBondContact O-CA 3.43Å; G33-I289 PolarHBondContact O-N 3.39Å |
| 34 | W | 98.7 | Very high | 95.1 | Very high | 0 Ų | 0 | 32.9 Ų | 32.9 | 0% | 0 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.4 | 144.8 | 177.7 | 176.8 | 98.5 | 0 | 0 | 0 | 110.5 | T36 L40 I59 T62 L66 Y78 V79 I80 I289 T291 | W34-T36 HydrophobicContact CH2-CG2 3.47Å; W34-T36 VanDerWaalsContact CH2-CG2 3.47Å; W34-T36 HydrophobicContact CZ3-CG2 3.45Å; W34-T36 VanDerWaalsContact CZ3-CG2 3.45Å; W34-L40 HydrophobicContact CH2-CD1 4.23Å; W34-I59 HydrophobicContact CH2-CD1 4.23Å; W34-I59 HydrophobicContact CZ3-CD1 4.12Å; W34-T62 HydrophobicContact CD2-CG2 3.65Å; W34-T62 HydrophobicContact CE3-CG2 3.96Å; W34-T62 HydrophobicContact CG-CG2 4.06Å; W34-T62 HydrophobicContact CH2-CG2 4.16Å; W34-T62 HydrophobicContact CZ2-CG2 3.9Å; W34-T62 HydrophobicContact CZ3-CG2 4.2Å; W34-L66 HydrophobicContact CB-CD1 4.14Å; W34-L66 HydrophobicContact CB-CD2 4.48Å; W34-Y78 PolarHBondContact N-O 2.73Å; W34-V79 HydrophobicContact CE3-CG1 4.08Å; W34-V79 HydrophobicContact CZ3-CG1 4.23Å; W34-I80 PolarHBondContact O-N 2.93Å; W34-I289 CarbonylContact C-O 3.43Å; W34-I289 WeakPolarHBondContact CA-O 3.04Å; W34-T291 PolarHBondContact NE1-O 3.19Å |
| 35 | N | 98.3 | Very high | 95.5 | Very high | 6 Ų | 6 | 35 Ų | 35 | 3% | 0.032 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.2 | 144.7 | 178.8 | 179.9 | -54.2 | 0 | 0 | 0 | 111.1 | W37 I80 D82 M260 I288 I289 S290 | N35-W37 PolarHBondContact O-N 3.14Å; N35-W37 WeakPolarHBondContact OD1-CB 3.44Å; N35-W37 PolarHBondContact OD1-N 2.86Å; N35-I80 WeakPolarHBondContact CA-O 3.33Å; N35-I80 HydrophobicContact CB-CB 4.08Å; N35-I80 WeakPolarHBondContact ND2-CG2 3.44Å; N35-D82 PolarHBondContact ND2-OD2 3.28Å; N35-D82 VanDerWaalsContact ND2-OD2 3.13Å; N35-M260 HydrophobicContact CB-CG 4.28Å; N35-M260 HydrophobicContact CB-SD 3.75Å; N35-I288 HydrophobicContact CB-CG2 3.43Å; N35-I288 VanDerWaalsContact CB-CG2 3.43Å; N35-I289 PolarHBondContact N-O 3.29Å; N35-S290 WeakPolarHBondContact O-CA 3.25Å; N35-S290 WeakPolarHBondContact O-CB 3.4Å; N35-S290 PolarHBondContact O-OG 2.74Å |
| 36 | T | 97.1 | Very high | 95.4 | Very high | 0 Ų | 0 | 34 Ų | 34 | 0% | 0 | 18% | 0.175 | C | C | . | . | S | Bend | trans | -70.2 | -23.8 | -176.6 | 60.3 | 0 | 0 | 0 | 0 | 115.3 | W34 Q39 L40 G41 L54 I59 I80 D82 | W34-T36 HydrophobicContact CH2-CG2 3.47Å; W34-T36 VanDerWaalsContact CH2-CG2 3.47Å; W34-T36 HydrophobicContact CZ3-CG2 3.45Å; W34-T36 VanDerWaalsContact CZ3-CG2 3.45Å; T36-Q39 PolarHBondContact O-N 3.38Å; T36-L40 HydrophobicContact CG2-CD1 4.15Å; T36-L40 WeakPolarHBondContact O-CA 3.25Å; T36-L40 WeakPolarHBondContact O-CB 3.29Å; T36-L40 PolarHBondContact O-N 3.23Å; T36-G41 PolarHBondContact O-N 2.91Å; T36-L54 HydrophobicContact CG2-CD1 3.72Å; T36-I59 HydrophobicContact CG2-CD1 3.49Å; T36-I59 VanDerWaalsContact CG2-CD1 3.49Å; T36-I80 PolarHBondContact N-O 3Å; T36-I80 VanDerWaalsContact N-O 3.13Å; T36-D82 WeakPolarHBondContact OG1-CB 3.27Å; T36-D82 PolarHBondContact OG1-N 3.2Å |
| 37 | W | 96 | Very high | 94.9 | Very high | 61 Ų | 61 | 39.2 Ų | 39.2 | 23% | 0.231 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -66.2 | -48.3 | -157.7 | -172.5 | -109.6 | 0 | 0 | 0 | 115.8 | N35 G41 D82 D83 M260 | N35-W37 PolarHBondContact O-N 3.14Å; N35-W37 WeakPolarHBondContact OD1-CB 3.44Å; N35-W37 PolarHBondContact OD1-N 2.86Å; W37-G41 WeakPolarHBondContact O-CA 3.26Å; W37-G41 PolarHBondContact O-N 2.9Å; W37-D82 HydrophobicContact CB-CB 3.73Å; W37-D82 HydrophobicContact CD2-CB 4.45Å; W37-D82 HydrophobicContact CE3-CB 4.04Å; W37-D82 HydrophobicContact CG-CB 4.39Å; W37-D83 HydrophobicContact CE3-CB 4.33Å; W37-D83 HydrophobicContact CH2-CB 4.29Å; W37-D83 HydrophobicContact CZ3-CB 3.71Å; W37-M260 HydrophobicContact CB-CE 3.84Å; W37-M260 HydrophobicContact CB-SD 4.05Å; W37-M260 HydrophobicContact CG-CE 4.23Å |
| 38 | Q | 94 | Very high | 93.7 | Very high | 41 Ų | 41 | 44.9 Ų | 44.9 | 19% | 0.192 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -73.8 | -29.6 | -179 | -60.6 | -70.2 | -23.1 | 0 | 0 | 112.4 | S225 M260 V262 S290 | Q38-S225 PolarHBondContact NE2-O 3.35Å; Q38-S225 PolarHBondContact OE1-O 2.68Å; Q38-M260 HydrophobicContact CG-CB 4.32Å; Q38-M260 HydrophobicContact CG-CE 3.61Å; Q38-M260 HydrophobicContact CG-SD 3.97Å; Q38-V262 HydrophobicContact CB-CG1 4.1Å; Q38-V262 HydrophobicContact CG-CG1 3.78Å; Q38-S290 WeakPolarHBondContact CA-OG 3.32Å; Q38-S290 WeakPolarHBondContact CB-OG 3.22Å; Q38-S290 PolarHBondContact N-OG 3.37Å |
| 39 | Q | 91.4 | Very high | 92.4 | Very high | 34 Ų | 34 | 41.3 Ų | 41.3 | 16% | 0.159 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -82.5 | -53.9 | 179.6 | -175.8 | -162.8 | -22.2 | 0 | 0 | 112.6 | T36 S290 T291 D292 | T36-Q39 PolarHBondContact O-N 3.38Å; Q39-S290 PolarHBondContact N-OG 3.02Å; Q39-T291 PolarHBondContact OE1-O 3.04Å; Q39-D292 HydrophobicContact CG-CB 4.24Å; Q39-D292 VanDerWaalsContact NE2-CA 3.27Å |
| 40 | L | 93.3 | Very high | 90.8 | Very high | 4 Ų | 4 | 46.8 Ų | 46.8 | 2% | 0.021 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -100.8 | -26.1 | -170.7 | -55.7 | -177.9 | 0 | 0 | 0 | 112.1 | W34 T36 C42 Q43 L54 A58 | W34-L40 HydrophobicContact CH2-CD1 4.23Å; T36-L40 HydrophobicContact CG2-CD1 4.15Å; T36-L40 WeakPolarHBondContact O-CA 3.25Å; T36-L40 WeakPolarHBondContact O-CB 3.29Å; T36-L40 PolarHBondContact O-N 3.23Å; L40-C42 PolarHBondContact O-N 2.83Å; L40-Q43 VanDerWaalsContact O-CB 3.27Å; L40-Q43 WeakPolarHBondContact O-CB 3.32Å; L40-Q43 WeakPolarHBondContact O-CG 3.25Å; L40-Q43 PolarHBondContact O-N 2.96Å; L40-Q43 VanDerWaalsContact O-N 3.16Å; L40-L54 HydrophobicContact CD1-CD1 4.17Å; L40-A58 HydrophobicContact CD1-CB 4.38Å |
| 41 | G | 92.8 | Very high | 89.5 | Confident | 17 Ų | 17 | 51.3 Ų | 51.3 | 18% | 0.175 | 27% | 0.271 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 48.2 | -138.4 | -174.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | T36 W37 | T36-G41 PolarHBondContact O-N 2.91Å; W37-G41 WeakPolarHBondContact O-CA 3.26Å; W37-G41 PolarHBondContact O-N 2.9Å |
| 42 | C | 94.7 | Very high | 88.7 | Confident | 51 Ų | 51 | 54 Ų | 54 | 35% | 0.345 | 29% | 0.285 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -97 | 35 | 175.8 | -159.2 | 0 | 0 | 0 | 0 | 112.7 | L40 V44 C84 | L40-C42 PolarHBondContact O-N 2.83Å; C42-V44 PolarHBondContact O-N 3.31Å; C42-C84 HydrophobicContact CB-CB 4.02Å; C42-C84 WeakPolarHBondContact CB-SG 3.36Å; C42-C84 WeakPolarHBondContact SG-CB 3.46Å; C42-C84 CovalentContact SG-SG 2.02Å; C42-C84 PolarHBondContact SG-SG 3.25Å |
| 43 | Q | 94.3 | Very high | 88.4 | Confident | 110 Ų | 110 | 53.6 Ų | 53.6 | 51% | 0.514 | 28% | 0.283 | S | S | . | . | trans | -74.7 | 88.3 | 178.2 | -65 | -62.7 | -25.5 | 0 | 0 | 110.5 | L40 N52 C53 L54 | L40-Q43 VanDerWaalsContact O-CB 3.27Å; L40-Q43 WeakPolarHBondContact O-CB 3.32Å; L40-Q43 WeakPolarHBondContact O-CG 3.25Å; L40-Q43 PolarHBondContact O-N 2.96Å; L40-Q43 VanDerWaalsContact O-N 3.16Å; Q43-N52 WeakPolarHBondContact CB-O 3.18Å; Q43-C53 CarbonylContact O-C 3.33Å; Q43-C53 WeakPolarHBondContact O-CA 3.24Å; Q43-C53 PolarHBondContact O-SG 3.41Å; Q43-L54 PolarHBondContact O-N 2.86Å | ||
| 44 | V | 93.5 | Very high | 88.2 | Confident | 48 Ų | 48 | 53.6 Ų | 53.6 | 29% | 0.291 | 28% | 0.283 | S | S | . | . | trans | -96.9 | -5.7 | -176.2 | -61 | 0 | 0 | 0 | 0 | 114.1 | C42 C46 C84 R103 | C42-V44 PolarHBondContact O-N 3.31Å; V44-C46 PolarHBondContact O-N 3.31Å; V44-C84 HydrophobicContact CG1-CB 3.87Å; V44-R103 WeakPolarHBondContact O-CD 3.4Å | ||
| 45 | N | 90.8 | Very high | 88.1 | Confident | 74 Ų | 74 | 54.3 Ų | 54.3 | 40% | 0.396 | 29% | 0.287 | S | S | . | . | trans | -86.2 | 88.1 | 177.2 | -175.1 | -5.9 | 0 | 0 | 0 | 111.4 | N47 N48 | N45-N47 PolarHBondContact O-N 3.4Å; N45-N47 PolarHBondContact OD1-N 3.48Å; N45-N48 PolarHBondContact ND2-ND2 3.08Å | ||
| 46 | C | 88.4 | Confident | 88 | Confident | 27 Ų | 27 | 54.4 Ų | 54.4 | 18% | 0.182 | 29% | 0.287 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -75.2 | -8 | -177.6 | -62.8 | 0 | 0 | 0 | 0 | 115 | V44 C53 N55 | V44-C46 PolarHBondContact O-N 3.31Å; C46-C53 WeakPolarHBondContact CA-SG 3.47Å; C46-C53 HydrophobicContact CB-CB 3.74Å; C46-C53 WeakPolarHBondContact CB-SG 3.17Å; C46-C53 PolarHBondContact N-SG 3.45Å; C46-C53 WeakPolarHBondContact SG-CB 3.25Å; C46-C53 CovalentContact SG-SG 2.03Å; C46-C53 PolarHBondContact SG-SG 3.31Å; C46-N55 PolarHBondContact SG-ND2 2.8Å; C46-N55 VanDerWaalsContact SG-ND2 3.37Å |
| 47 | N | 83.5 | Confident | 87.9 | Confident | 151 Ų | 151 | 60.1 Ų | 60.1 | 81% | 0.807 | 32% | 0.318 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74.6 | -30.2 | 177.9 | -65.2 | -24.4 | 0 | 0 | 0 | 111.9 | N45 | N45-N47 PolarHBondContact O-N 3.4Å; N45-N47 PolarHBondContact OD1-N 3.48Å |
| 48 | N | 72.2 | Confident | 87.9 | Confident | 127 Ų | 127 | 57.3 Ų | 57.3 | 68% | 0.679 | 31% | 0.308 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -90.9 | -32.1 | -175 | -70.6 | -2 | 0 | 0 | 0 | 113 | N45 | N45-N48 PolarHBondContact ND2-ND2 3.08Š|
| 49 | T | 70.3 | Confident | 88 | Confident | 58 Ų | 58 | 55.4 Ų | 55.4 | 36% | 0.356 | 30% | 0.299 | S | S | . | . | trans | -148.5 | 82.9 | -176 | 51 | 0 | 0 | 0 | 0 | 111.5 | I51 N52 C53 | T49-I51 PolarHBondContact O-N 3.1Å; T49-I51 VanDerWaalsContact O-N 3.1Å; T49-N52 PolarHBondContact O-N 2.79Å; T49-N52 VanDerWaalsContact O-N 3.15Å; T49-C53 WeakPolarHBondContact O-CB 3.49Å; T49-C53 PolarHBondContact O-N 2.85Å | ||
| 50 | Q | 63.5 | Low | 88.3 | Confident | 157 Ų | 157 | 56.1 Ų | 56.1 | 73% | 0.734 | 30% | 0.301 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.7 | -33.5 | 179.2 | -72.4 | -171.4 | -10 | 0 | 0 | 113.4 | ||
| 51 | I | 71.1 | Confident | 88.4 | Confident | 95 Ų | 95 | 59 Ų | 59 | 49% | 0.487 | 31% | 0.312 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -71.4 | -36.1 | -178.2 | -60.8 | 176.2 | 0 | 0 | 0 | 112.3 | T49 R61 | T49-I51 PolarHBondContact O-N 3.1Å; T49-I51 VanDerWaalsContact O-N 3.1Å; I51-R61 PolarHBondContact O-NH2 3.03Å |
| 52 | N | 81 | Confident | 88.6 | Confident | 65 Ų | 65 | 58.3 Ų | 58.3 | 35% | 0.348 | 31% | 0.305 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -107.2 | 6.2 | -173.6 | -66.3 | -16 | 0 | 0 | 0 | 113 | Q43 T49 | Q43-N52 WeakPolarHBondContact CB-O 3.18Å; T49-N52 PolarHBondContact O-N 2.79Å; T49-N52 VanDerWaalsContact O-N 3.15Å |
| 53 | C | 92.3 | Very high | 88.8 | Confident | 0 Ų | 0 | 55.9 Ų | 55.9 | 0% | 0 | 29% | 0.288 | C | S | . | . | S | Bend | trans | -82.7 | 140.8 | 175.8 | -169.9 | 0 | 0 | 0 | 0 | 111.1 | Q43 C46 T49 N55 A58 | Q43-C53 CarbonylContact O-C 3.33Å; Q43-C53 WeakPolarHBondContact O-CA 3.24Å; Q43-C53 PolarHBondContact O-SG 3.41Å; C46-C53 WeakPolarHBondContact CA-SG 3.47Å; C46-C53 HydrophobicContact CB-CB 3.74Å; C46-C53 WeakPolarHBondContact CB-SG 3.17Å; C46-C53 PolarHBondContact N-SG 3.45Å; C46-C53 WeakPolarHBondContact SG-CB 3.25Å; C46-C53 CovalentContact SG-SG 2.03Å; C46-C53 PolarHBondContact SG-SG 3.31Å; T49-C53 WeakPolarHBondContact O-CB 3.49Å; T49-C53 PolarHBondContact O-N 2.85Å; C53-N55 PolarHBondContact O-N 2.9Å; C53-A58 WeakPolarHBondContact O-CB 3.34Å |
| 54 | L | 95.9 | Very high | 89 | Confident | 0 Ų | 0 | 53.5 Ų | 53.5 | 0% | 0 | 28% | 0.279 | C | S | . | . | trans | -73 | 90.1 | 170.7 | -177.1 | 65.6 | 0 | 0 | 0 | 110.4 | T36 L40 Q43 I59 I81 D83 C84 R103 F104 | T36-L54 HydrophobicContact CG2-CD1 3.72Å; L40-L54 HydrophobicContact CD1-CD1 4.17Å; Q43-L54 PolarHBondContact O-N 2.86Å; L54-I59 HydrophobicContact CD1-CD1 4.43Å; L54-I81 HydrophobicContact CD1-CG2 4.22Å; L54-D83 VanDerWaalsContact CD2-O 3.24Å; L54-D83 WeakPolarHBondContact CD2-O 3.29Å; L54-C84 HydrophobicContact CD2-CB 3.98Å; L54-R103 WeakPolarHBondContact O-CD 3.48Å; L54-R103 PolarHBondContact O-NH1 2.84Å; L54-F104 HydrophobicContact CG-CZ 4.27Å | ||
| 55 | N | 95.9 | Very high | 89.2 | Confident | 15 Ų | 15 | 53.6 Ų | 53.6 | 8% | 0.08 | 28% | 0.275 | C | S | . | . | S | Bend | trans | -143 | 168.4 | 178.6 | 67.2 | 44.5 | 0 | 0 | 0 | 112.2 | C46 C53 N57 A58 I59 R103 | C46-N55 PolarHBondContact SG-ND2 2.8Å; C46-N55 VanDerWaalsContact SG-ND2 3.37Å; C53-N55 PolarHBondContact O-N 2.9Å; N55-N57 VanDerWaalsContact C-N 3.32Å; N55-N57 PolarHBondContact O-N 3.15Å; N55-N57 WeakPolarHBondContact OD1-CB 3.3Å; N55-N57 PolarHBondContact OD1-N 2.89Å; N55-N57 VanDerWaalsContact OD1-N 3.08Å; N55-A58 WeakPolarHBondContact O-CB 3.44Å; N55-A58 PolarHBondContact O-N 2.8Å; N55-A58 PolarHBondContact OD1-N 3.16Å; N55-I59 WeakPolarHBondContact O-CG1 3.37Å; N55-I59 PolarHBondContact O-N 2.84Å; N55-R103 WeakPolarHBondContact CA-O 3.35Å; N55-R103 HydrophobicContact CB-CB 4.01Å; N55-R103 HydrophobicContact CB-CG 4.49Å; N55-R103 WeakPolarHBondContact CB-O 3.43Å |
| 56 | E | 96.6 | Very high | 89.5 | Confident | 8 Ų | 8 | 50 Ų | 50 | 4% | 0.037 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -55.6 | -42 | -179.2 | -177.8 | 178.4 | 176.8 | 0 | 0 | 113.2 | A58 I59 K60 R103 F104 P105 S106 L111 | E56-A58 VanDerWaalsContact C-N 3.34Å; E56-A58 PolarHBondContact O-N 2.83Å; E56-I59 PolarHBondContact O-N 2.86Å; E56-K60 HydrophobicContact CG-CD 4.08Å; E56-K60 HydrophobicContact CG-CG 4.37Å; E56-K60 WeakPolarHBondContact O-CG 3.34Å; E56-K60 PolarHBondContact O-N 3.06Å; E56-K60 VanDerWaalsContact OE1-CE 3.23Å; E56-K60 WeakPolarHBondContact OE1-CE 3.16Å; E56-K60 IonicContact OE1-NZ 3.64Å; E56-K60 PolarHBondContact OE1-NZ 2.89Å; E56-R103 WeakPolarHBondContact CB-O 3.34Å; E56-R103 PolarHBondContact N-O 2.95Å; E56-F104 HydrophobicContact CB-CD1 3.84Å; E56-P105 VanDerWaalsContact OE2-CD 3.27Å; E56-P105 WeakPolarHBondContact OE2-CD 3.39Å; E56-S106 VanDerWaalsContact OE1-CB 3.28Å; E56-S106 WeakPolarHBondContact OE1-CB 3.36Å; E56-S106 PolarHBondContact OE1-OG 2.88Å; E56-S106 WeakPolarHBondContact OE2-CB 3.43Å; E56-S106 PolarHBondContact OE2-N 2.97Å; E56-S106 VanDerWaalsContact OE2-N 3.13Å; E56-S106 PolarHBondContact OE2-OG 2.9Å; E56-L111 HydrophobicContact CG-CD1 4.3Å |
| 57 | N | 94.9 | Very high | 90 | Very high | 119 Ų | 119 | 50.6 Ų | 50.6 | 64% | 0.636 | 26% | 0.259 | S | S | * | . | H | α-helix | trans | -65.6 | -37.6 | -179.4 | -71.8 | -20 | 0 | 0 | 0 | 112.1 | N55 K60 R61 | N55-N57 VanDerWaalsContact C-N 3.32Å; N55-N57 PolarHBondContact O-N 3.15Å; N55-N57 WeakPolarHBondContact OD1-CB 3.3Å; N55-N57 PolarHBondContact OD1-N 2.89Å; N55-N57 VanDerWaalsContact OD1-N 3.08Å; N57-K60 PolarHBondContact O-N 3.47Å; N57-R61 VanDerWaalsContact O-CB 3.3Å; N57-R61 WeakPolarHBondContact O-CB 3.24Å; N57-R61 PolarHBondContact O-N 3.26Å |
| 58 | A | 94.8 | Very high | 90.7 | Very high | 3 Ų | 3 | 47.4 Ų | 47.4 | 3% | 0.025 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -63.4 | -43.5 | 174.8 | 0 | 0 | 0 | 0 | 0 | 110.9 | L40 C53 N55 E56 T62 | L40-A58 HydrophobicContact CD1-CB 4.38Å; C53-A58 WeakPolarHBondContact O-CB 3.34Å; N55-A58 WeakPolarHBondContact O-CB 3.44Å; N55-A58 PolarHBondContact O-N 2.8Å; N55-A58 PolarHBondContact OD1-N 3.16Å; E56-A58 VanDerWaalsContact C-N 3.34Å; E56-A58 PolarHBondContact O-N 2.83Å; A58-T62 PolarHBondContact O-N 3.01Å; A58-T62 PolarHBondContact O-OG1 2.71Å |
| 59 | I | 97.3 | Very high | 91.9 | Very high | 0 Ų | 0 | 44 Ų | 44 | 0% | 0 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -63.6 | -45.4 | 176 | -53 | -50.8 | 0 | 0 | 0 | 111 | W34 T36 L54 N55 E56 T62 A63 V79 I81 F104 L111 | W34-I59 HydrophobicContact CH2-CD1 4.23Å; W34-I59 HydrophobicContact CZ3-CD1 4.12Å; T36-I59 HydrophobicContact CG2-CD1 3.49Å; T36-I59 VanDerWaalsContact CG2-CD1 3.49Å; L54-I59 HydrophobicContact CD1-CD1 4.43Å; N55-I59 WeakPolarHBondContact O-CG1 3.37Å; N55-I59 PolarHBondContact O-N 2.84Å; E56-I59 PolarHBondContact O-N 2.86Å; I59-T62 PolarHBondContact O-N 3.2Å; I59-A63 WeakPolarHBondContact O-CB 3.35Å; I59-A63 PolarHBondContact O-N 2.73Å; I59-V79 HydrophobicContact CG2-CG1 3.74Å; I59-I81 HydrophobicContact CD1-CD1 4.29Å; I59-I81 HydrophobicContact CD1-CG1 3.98Å; I59-I81 HydrophobicContact CG1-CD1 3.88Å; I59-I81 HydrophobicContact CG1-CG1 4.12Å; I59-I81 HydrophobicContact CG2-CD1 4.37Å; I59-F104 HydrophobicContact CG1-CE1 4.24Å; I59-L111 HydrophobicContact CB-CD1 4.33Å; I59-L111 HydrophobicContact CB-CD2 4.33Å; I59-L111 HydrophobicContact CG1-CD2 4.43Å; I59-L111 HydrophobicContact CG2-CD1 4.05Å; I59-L111 HydrophobicContact CG2-CD2 4.17Å; I59-L111 HydrophobicContact CG2-CG 4.46Å |
| 60 | K | 97.3 | Very high | 93.3 | Very high | 50 Ų | 50 | 42.1 Ų | 42.1 | 22% | 0.217 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -62.2 | -46.2 | 178.8 | -71.9 | -176.7 | 163.4 | 167.2 | 0 | 112 | E56 N57 T62 A63 D64 L111 Y114 | E56-K60 HydrophobicContact CG-CD 4.08Å; E56-K60 HydrophobicContact CG-CG 4.37Å; E56-K60 WeakPolarHBondContact O-CG 3.34Å; E56-K60 PolarHBondContact O-N 3.06Å; E56-K60 VanDerWaalsContact OE1-CE 3.23Å; E56-K60 WeakPolarHBondContact OE1-CE 3.16Å; E56-K60 IonicContact OE1-NZ 3.64Å; E56-K60 PolarHBondContact OE1-NZ 2.89Å; N57-K60 PolarHBondContact O-N 3.47Å; K60-T62 PolarHBondContact O-N 3.3Å; K60-A63 WeakPolarHBondContact O-CB 3.21Å; K60-A63 PolarHBondContact O-N 2.69Å; K60-D64 VanDerWaalsContact O-CG 3.32Å; K60-D64 PolarHBondContact O-N 2.91Å; K60-D64 VanDerWaalsContact O-OD2 3.05Å; K60-L111 HydrophobicContact CG-CD1 4.03Å; K60-Y114 HydrophobicContact CB-CD1 4.34Å; K60-Y114 HydrophobicContact CB-CE1 3.67Å; K60-Y114 HydrophobicContact CD-CD1 4.3Å; K60-Y114 HydrophobicContact CD-CD2 4.46Å; K60-Y114 HydrophobicContact CD-CE1 4.19Å; K60-Y114 HydrophobicContact CD-CE2 4.36Å; K60-Y114 HydrophobicContact CD-CG 4.41Å; K60-Y114 HydrophobicContact CG-CD1 3.68Å; K60-Y114 HydrophobicContact CG-CE1 3.51Å; K60-Y114 HydrophobicContact CG-CG 4.25Å |
| 61 | R | 95.8 | Very high | 94.9 | Very high | 64 Ų | 64 | 34.8 Ų | 34.8 | 24% | 0.242 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -57.1 | -48.5 | 175.2 | 177.7 | -179.9 | 61.8 | 114 | -0.9 | 111.5 | I51 N57 A63 D64 K65 D292 D294 | I51-R61 PolarHBondContact O-NH2 3.03Å; N57-R61 VanDerWaalsContact O-CB 3.3Å; N57-R61 WeakPolarHBondContact O-CB 3.24Å; N57-R61 PolarHBondContact O-N 3.26Å; R61-A63 PolarHBondContact O-N 3Å; R61-D64 PolarHBondContact O-N 3.02Å; R61-K65 PolarHBondContact O-N 3.04Å; R61-D292 IonicContact NH1-OD1 2.64Å; R61-D292 PolarHBondContact NH1-OD1 3.13Å; R61-D292 IonicContact NH2-OD1 3.14Å; R61-D294 WeakPolarHBondContact CD-OD2 3.35Å; R61-D294 IonicContact CZ-OD2 3.43Å; R61-D294 IonicContact NE-OD2 2.7Å; R61-D294 IonicContact NH1-OD2 2.66Å; R61-D294 PolarHBondContact NH1-OD2 3.43Å |
| 62 | T | 96.8 | Very high | 96.2 | Very high | 3 Ų | 3 | 32.6 Ų | 32.6 | 2% | 0.018 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -62.7 | -42.9 | 177.1 | -63.7 | 0 | 0 | 0 | 0 | 111.5 | W34 A58 I59 K60 D64 K65 L66 M293 | W34-T62 HydrophobicContact CD2-CG2 3.65Å; W34-T62 HydrophobicContact CE3-CG2 3.96Å; W34-T62 HydrophobicContact CG-CG2 4.06Å; W34-T62 HydrophobicContact CH2-CG2 4.16Å; W34-T62 HydrophobicContact CZ2-CG2 3.9Å; W34-T62 HydrophobicContact CZ3-CG2 4.2Å; A58-T62 PolarHBondContact O-N 3.01Å; A58-T62 PolarHBondContact O-OG1 2.71Å; I59-T62 PolarHBondContact O-N 3.2Å; K60-T62 PolarHBondContact O-N 3.3Å; T62-D64 VanDerWaalsContact C-N 3.34Å; T62-D64 PolarHBondContact O-N 3.21Å; T62-K65 WeakPolarHBondContact O-CB 3.46Å; T62-K65 PolarHBondContact O-N 2.95Å; T62-K65 VanDerWaalsContact O-N 3.13Å; T62-L66 HydrophobicContact CG2-CD1 4.37Å; T62-L66 HydrophobicContact CG2-CG 4.37Å; T62-L66 WeakPolarHBondContact O-CG 3.48Å; T62-L66 PolarHBondContact O-N 3.13Å; T62-M293 HydrophobicContact CG2-CB 4.47Å; T62-M293 HydrophobicContact CG2-CG 3.81Å |
| 63 | A | 98.4 | Very high | 97 | Very high | 0 Ų | 0 | 34.9 Ų | 34.9 | 0% | 0 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -60.7 | -42.4 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | I59 K60 R61 K65 L66 V67 Y114 L115 K118 L120 | I59-A63 WeakPolarHBondContact O-CB 3.35Å; I59-A63 PolarHBondContact O-N 2.73Å; K60-A63 WeakPolarHBondContact O-CB 3.21Å; K60-A63 PolarHBondContact O-N 2.69Å; R61-A63 PolarHBondContact O-N 3Å; A63-K65 VanDerWaalsContact C-N 3.3Å; A63-K65 PolarHBondContact O-N 3.13Å; A63-L66 PolarHBondContact O-N 2.82Å; A63-V67 WeakPolarHBondContact O-CG2 3.28Å; A63-V67 PolarHBondContact O-N 3.05Å; A63-Y114 HydrophobicContact CB-CE1 4.32Å; A63-L115 HydrophobicContact CB-CD2 3.44Å; A63-L115 VanDerWaalsContact CB-CD2 3.44Å; A63-K118 HydrophobicContact CB-CD 4.38Å; A63-L120 HydrophobicContact CB-CD1 3.69Å |
| 64 | D | 98.3 | Very high | 97.3 | Very high | 60 Ų | 60 | 37.9 Ų | 37.9 | 32% | 0.321 | 20% | 0.201 | S | C | . | . | H | α-helix | trans | -59 | -43.9 | 173 | -70.8 | -42 | 0 | 0 | 0 | 111.3 | K60 R61 T62 V67 S68 Y114 K118 | K60-D64 VanDerWaalsContact O-CG 3.32Å; K60-D64 PolarHBondContact O-N 2.91Å; K60-D64 VanDerWaalsContact O-OD2 3.05Å; R61-D64 PolarHBondContact O-N 3.02Å; T62-D64 VanDerWaalsContact C-N 3.34Å; T62-D64 PolarHBondContact O-N 3.21Å; D64-V67 PolarHBondContact O-N 3.16Å; D64-S68 WeakPolarHBondContact O-CB 3.46Å; D64-S68 PolarHBondContact O-N 2.76Å; D64-S68 PolarHBondContact O-OG 2.97Å; D64-Y114 VanDerWaalsContact CG-OH 3.23Å; D64-Y114 PolarHBondContact OD1-OH 3.25Å; D64-Y114 PolarHBondContact OD2-OH 3.16Å; D64-K118 WeakPolarHBondContact OD1-CE 3.44Å; D64-K118 IonicContact OD1-NZ 3.56Å; D64-K118 PolarHBondContact OD1-NZ 3.45Å |
| 65 | K | 97.6 | Very high | 97.4 | Very high | 49 Ų | 49 | 39 Ų | 39 | 21% | 0.213 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -65.7 | -40.1 | 179.2 | -163.7 | 59.1 | 166.5 | 157.7 | 0 | 113 | R61 T62 A63 V67 S68 D69 M293 D294 | R61-K65 PolarHBondContact O-N 3.04Å; T62-K65 WeakPolarHBondContact O-CB 3.46Å; T62-K65 PolarHBondContact O-N 2.95Å; T62-K65 VanDerWaalsContact O-N 3.13Å; A63-K65 VanDerWaalsContact C-N 3.3Å; A63-K65 PolarHBondContact O-N 3.13Å; K65-V67 PolarHBondContact O-N 3.34Å; K65-S68 PolarHBondContact O-OG 3.35Å; K65-D69 WeakPolarHBondContact CD-OD1 3.43Å; K65-D69 WeakPolarHBondContact CD-OD2 3.22Å; K65-D69 WeakPolarHBondContact CE-OD2 3.38Å; K65-D69 IonicContact NZ-OD1 2.83Å; K65-D69 PolarHBondContact NZ-OD1 3.46Å; K65-D69 IonicContact NZ-OD2 3.56Å; K65-D69 PolarHBondContact NZ-OD2 3.01Å; K65-D69 WeakPolarHBondContact O-CB 3.44Å; K65-D69 PolarHBondContact O-N 2.89Å; K65-D69 VanDerWaalsContact O-N 3.08Å; K65-M293 HydrophobicContact CB-CB 4.11Å; K65-M293 WeakPolarHBondContact CE-O 3.44Å; K65-M293 HydrophobicContact CG-CB 3.68Å; K65-D294 WeakPolarHBondContact CD-OD1 3.47Å; K65-D294 WeakPolarHBondContact CE-OD1 3.32Å |
| 66 | L | 98.5 | Very high | 97.5 | Very high | 0 Ų | 0 | 38.3 Ų | 38.3 | 0% | 0 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -59.3 | -34.2 | 174.7 | -71.3 | 174.9 | 0 | 0 | 0 | 111.9 | W34 T62 A63 W71 R72 V79 L120 M293 | W34-L66 HydrophobicContact CB-CD1 4.14Å; W34-L66 HydrophobicContact CB-CD2 4.48Å; T62-L66 HydrophobicContact CG2-CD1 4.37Å; T62-L66 HydrophobicContact CG2-CG 4.37Å; T62-L66 WeakPolarHBondContact O-CG 3.48Å; T62-L66 PolarHBondContact O-N 3.13Å; A63-L66 PolarHBondContact O-N 2.82Å; L66-W71 HydrophobicContact CB-CB 4.38Å; L66-W71 HydrophobicContact CD2-CB 3.71Å; L66-W71 HydrophobicContact CD2-CG 4.04Å; L66-W71 WeakPolarHBondContact O-CA 3.48Å; L66-W71 WeakPolarHBondContact O-CB 3.33Å; L66-W71 PolarHBondContact O-N 3.24Å; L66-R72 PolarHBondContact O-N 3.43Å; L66-V79 HydrophobicContact CD1-CG2 3.63Å; L66-L120 HydrophobicContact CB-CD2 4.43Å; L66-L120 HydrophobicContact CD1-CD2 4.48Å; L66-M293 HydrophobicContact CD2-CE 3.83Å; L66-M293 HydrophobicContact CD2-CG 4.41Å |
| 67 | V | 98.6 | Very high | 97.6 | Very high | 38 Ų | 38 | 42.6 Ų | 42.6 | 23% | 0.23 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -80.6 | -54.6 | 176.2 | 177.5 | 0 | 0 | 0 | 0 | 111.5 | A63 D64 K65 D69 G70 K118 L120 | A63-V67 WeakPolarHBondContact O-CG2 3.28Å; A63-V67 PolarHBondContact O-N 3.05Å; D64-V67 PolarHBondContact O-N 3.16Å; K65-V67 PolarHBondContact O-N 3.34Å; V67-D69 PolarHBondContact O-N 3.37Å; V67-G70 PolarHBondContact O-N 3.09Å; V67-K118 HydrophobicContact CG2-CB 3.95Å; V67-K118 HydrophobicContact CG2-CD 4.33Å; V67-K118 HydrophobicContact CG2-CG 4.47Å; V67-L120 HydrophobicContact CG2-CD1 4.15Å; V67-L120 HydrophobicContact CG2-CG 4.43Å |
| 68 | S | 98.1 | Very high | 97.8 | Very high | 85 Ų | 85 | 38.2 Ų | 38.2 | 59% | 0.594 | 20% | 0.202 | S | C | * | . | H | α-helix | trans | -61.3 | -34.5 | -171.8 | 67.4 | 0 | 0 | 0 | 0 | 112.7 | D64 K65 | D64-S68 WeakPolarHBondContact O-CB 3.46Å; D64-S68 PolarHBondContact O-N 2.76Å; D64-S68 PolarHBondContact O-OG 2.97Å; K65-S68 PolarHBondContact O-OG 3.35Å |
| 69 | D | 97.9 | Very high | 98 | Very high | 55 Ų | 55 | 38 Ų | 38 | 29% | 0.294 | 20% | 0.201 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -93.2 | 3.9 | -179.1 | -66.8 | 16.8 | 0 | 0 | 0 | 112.3 | K65 V67 W71 R305 | K65-D69 WeakPolarHBondContact CD-OD1 3.43Å; K65-D69 WeakPolarHBondContact CD-OD2 3.22Å; K65-D69 WeakPolarHBondContact CE-OD2 3.38Å; K65-D69 IonicContact NZ-OD1 2.83Å; K65-D69 PolarHBondContact NZ-OD1 3.46Å; K65-D69 IonicContact NZ-OD2 3.56Å; K65-D69 PolarHBondContact NZ-OD2 3.01Å; K65-D69 WeakPolarHBondContact O-CB 3.44Å; K65-D69 PolarHBondContact O-N 2.89Å; K65-D69 VanDerWaalsContact O-N 3.08Å; V67-D69 PolarHBondContact O-N 3.37Å; D69-W71 PolarHBondContact O-N 2.84Å; D69-R305 VanDerWaalsContact O-CZ 3.24Å; D69-R305 PolarHBondContact O-NH1 2.84Å; D69-R305 PolarHBondContact O-NH2 2.99Å |
| 70 | G | 97.9 | Very high | 98.1 | Very high | 18 Ų | 18 | 38.1 Ų | 38.1 | 19% | 0.186 | 20% | 0.201 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 75.6 | 16.1 | 175.4 | 0 | 0 | 0 | 0 | 0 | 115.6 | V67 D73 L74 | V67-G70 PolarHBondContact O-N 3.09Å; G70-D73 PolarHBondContact O-N 3.22Å; G70-L74 PolarHBondContact O-N 2.98Å |
| 71 | W | 98.5 | Very high | 98.1 | Very high | 4 Ų | 4 | 35.7 Ų | 35.7 | 2% | 0.015 | 19% | 0.191 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -63.9 | -42.1 | 175.5 | -61.3 | 104.9 | 0 | 0 | 0 | 111.9 | L66 D69 D73 L74 G75 Y76 M293 A301 L304 R305 | L66-W71 HydrophobicContact CB-CB 4.38Å; L66-W71 HydrophobicContact CD2-CB 3.71Å; L66-W71 HydrophobicContact CD2-CG 4.04Å; L66-W71 WeakPolarHBondContact O-CA 3.48Å; L66-W71 WeakPolarHBondContact O-CB 3.33Å; L66-W71 PolarHBondContact O-N 3.24Å; D69-W71 PolarHBondContact O-N 2.84Å; W71-D73 PolarHBondContact O-N 3.43Å; W71-L74 HydrophobicContact CE3-CD1 4.39Å; W71-L74 WeakPolarHBondContact O-CB 3.47Å; W71-L74 PolarHBondContact O-N 3.34Å; W71-L74 VanDerWaalsContact O-N 3.15Å; W71-G75 PolarHBondContact O-N 3.11Å; W71-Y76 HydrophobicContact CB-CD2 4.42Å; W71-Y76 HydrophobicContact CE3-CD2 4.06Å; W71-Y76 HydrophobicContact CE3-CE2 4.12Å; W71-Y76 WeakPolarHBondContact O-CB 3.3Å; W71-Y76 WeakPolarHBondContact O-CD2 3.45Å; W71-Y76 PolarHBondContact O-N 3.27Å; W71-Y76 VanDerWaalsContact O-N 3.15Å; W71-M293 HydrophobicContact CD2-CE 3.77Å; W71-M293 VanDerWaalsContact CE2-CE 3.45Å; W71-M293 HydrophobicContact CG-CE 3.89Å; W71-M293 HydrophobicContact CZ2-CE 3.99Å; W71-A301 HydrophobicContact CH2-CB 3.99Å; W71-A301 HydrophobicContact CZ2-CB 4.35Å; W71-L304 HydrophobicContact CH2-CB 4.05Å; W71-L304 HydrophobicContact CH2-CD1 4.18Å; W71-L304 HydrophobicContact CZ3-CB 3.6Å; W71-L304 HydrophobicContact CZ3-CD1 4.27Å; W71-R305 HydrophobicContact CE3-CG 4.23Å; W71-R305 HydrophobicContact CH2-CG 3.89Å; W71-R305 VanDerWaalsContact CZ2-NH2 3.31Å; W71-R305 HydrophobicContact CZ3-CG 3.51Å |
| 72 | R | 98.3 | Very high | 98.3 | Very high | 48 Ų | 48 | 32.7 Ų | 32.7 | 18% | 0.181 | 18% | 0.18 | C | C | . | . | G | 310 helix | trans | -54.5 | -42.2 | 174.6 | -179.2 | -160.4 | 64.7 | -157.3 | -8 | 111.9 | L66 L74 G75 Y76 K77 K118 L120 | L66-R72 PolarHBondContact O-N 3.43Å; R72-L74 VanDerWaalsContact C-N 3.25Å; R72-L74 PolarHBondContact O-N 3.24Å; R72-G75 WeakPolarHBondContact O-CA 3.34Å; R72-G75 PolarHBondContact O-N 3.04Å; R72-Y76 WeakPolarHBondContact CA-O 3.47Å; R72-K77 HydrophobicContact CG-CG 4.18Å; R72-K118 VanDerWaalsContact CD-O 3.25Å; R72-K118 WeakPolarHBondContact CD-O 3.47Å; R72-K118 PolarHBondContact NH1-O 3.47Å; R72-L120 HydrophobicContact CB-CD2 4.02Å; R72-L120 HydrophobicContact CG-CD2 3.85Å |
| 73 | D | 98.1 | Very high | 98.3 | Very high | 114 Ų | 114 | 32.7 Ų | 32.7 | 61% | 0.61 | 18% | 0.18 | S | C | * | . | G | 310 helix | trans | -73.5 | -21.4 | -174.9 | -60.8 | -15.5 | 0 | 0 | 0 | 112 | G70 W71 G75 | G70-D73 PolarHBondContact O-N 3.22Å; W71-D73 PolarHBondContact O-N 3.43Å; D73-G75 VanDerWaalsContact C-N 3.29Å |
| 74 | L | 98.1 | Very high | 98.2 | Very high | 62 Ų | 62 | 32.7 Ų | 32.7 | 33% | 0.325 | 18% | 0.18 | S | C | . | . | G | 310 helix | trans | -79.2 | -9.4 | 168.4 | -67.9 | 167.4 | 0 | 0 | 0 | 113.5 | G70 W71 R72 Y76 R305 L310 | G70-L74 PolarHBondContact O-N 2.98Å; W71-L74 HydrophobicContact CE3-CD1 4.39Å; W71-L74 WeakPolarHBondContact O-CB 3.47Å; W71-L74 PolarHBondContact O-N 3.34Å; W71-L74 VanDerWaalsContact O-N 3.15Å; R72-L74 VanDerWaalsContact C-N 3.25Å; R72-L74 PolarHBondContact O-N 3.24Å; L74-Y76 HydrophobicContact CB-CD2 4.14Å; L74-Y76 HydrophobicContact CB-CE2 4.36Å; L74-R305 HydrophobicContact CD1-CB 3.96Å; L74-R305 HydrophobicContact CD1-CG 3.55Å; L74-L310 HydrophobicContact CB-CD1 4.44Å; L74-L310 HydrophobicContact CD2-CD1 4.36Å |
| 75 | G | 98.1 | Very high | 98.2 | Very high | 24 Ų | 24 | 29.8 Ų | 29.8 | 25% | 0.247 | 16% | 0.164 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 116.1 | -12 | 178.7 | 0 | 0 | 0 | 0 | 0 | 115 | M32 W71 R72 D73 K77 | M32-G75 WeakPolarHBondContact CB-O 3.14Å; W71-G75 PolarHBondContact O-N 3.11Å; R72-G75 WeakPolarHBondContact O-CA 3.34Å; R72-G75 PolarHBondContact O-N 3.04Å; D73-G75 VanDerWaalsContact C-N 3.29Å; G75-K77 VanDerWaalsContact C-N 3.32Å; G75-K77 WeakPolarHBondContact O-CG 3.35Å; G75-K77 PolarHBondContact O-N 2.95Å |
| 76 | Y | 98.7 | Very high | 98.3 | Very high | 0 Ų | 0 | 27.6 Ų | 27.6 | 0% | 0 | 16% | 0.155 | C | C | . | . | trans | -70.9 | 82.8 | 178.9 | -63.3 | -83.5 | 0 | 0 | 0 | 111.3 | M32 W71 R72 L74 L287 I289 L304 | M32-Y76 HydrophobicContact CB-CD1 3.89Å; M32-Y76 HydrophobicContact CB-CE1 4.24Å; M32-Y76 HydrophobicContact CB-CG 4.3Å; M32-Y76 HydrophobicContact CE-CD1 4.05Å; M32-Y76 HydrophobicContact CE-CD2 3.74Å; M32-Y76 HydrophobicContact CE-CE1 3.73Å; M32-Y76 HydrophobicContact CE-CE2 3.41Å; M32-Y76 VanDerWaalsContact CE-CE2 3.41Å; M32-Y76 HydrophobicContact CE-CG 4.05Å; M32-Y76 VanDerWaalsContact CE-CZ 3.4Å; W71-Y76 HydrophobicContact CB-CD2 4.42Å; W71-Y76 HydrophobicContact CE3-CD2 4.06Å; W71-Y76 HydrophobicContact CE3-CE2 4.12Å; W71-Y76 WeakPolarHBondContact O-CB 3.3Å; W71-Y76 WeakPolarHBondContact O-CD2 3.45Å; W71-Y76 PolarHBondContact O-N 3.27Å; W71-Y76 VanDerWaalsContact O-N 3.15Å; R72-Y76 WeakPolarHBondContact CA-O 3.47Å; L74-Y76 HydrophobicContact CB-CD2 4.14Å; L74-Y76 HydrophobicContact CB-CE2 4.36Å; Y76-L287 HydrophobicContact CE1-CB 4.05Å; Y76-L287 WeakPolarHBondContact CE1-O 3.47Å; Y76-I289 HydrophobicContact CD1-CD1 3.56Å; Y76-I289 HydrophobicContact CD1-CG1 4.06Å; Y76-I289 HydrophobicContact CE1-CD1 3.44Å; Y76-I289 VanDerWaalsContact CE1-CD1 3.44Å; Y76-I289 HydrophobicContact CE1-CG1 3.75Å; Y76-I289 HydrophobicContact CE2-CD1 4.41Å; Y76-I289 HydrophobicContact CG-CD1 4.14Å; Y76-L304 PolarHBondContact OH-O 3.43Å | ||
| 77 | K | 98.5 | Very high | 98.2 | Very high | 99 Ų | 99 | 29.3 Ų | 29.3 | 43% | 0.43 | 17% | 0.167 | S | C | . | . | trans | -106.2 | -29.9 | -168.6 | -70.5 | 177.2 | -176.5 | -178.1 | 0 | 114.2 | M32 R72 G75 L120 L121 | M32-K77 PolarHBondContact O-N 2.89Å; R72-K77 HydrophobicContact CG-CG 4.18Å; G75-K77 VanDerWaalsContact C-N 3.32Å; G75-K77 WeakPolarHBondContact O-CG 3.35Å; G75-K77 PolarHBondContact O-N 2.95Å; K77-L120 WeakPolarHBondContact O-CA 3.4Å; K77-L120 WeakPolarHBondContact O-CD2 3.42Å; K77-L121 HydrophobicContact CB-CD1 4.3Å; K77-L121 PolarHBondContact O-N 3.08Å | ||
| 78 | Y | 98.8 | Very high | 98.1 | Very high | 26 Ų | 26 | 34.4 Ų | 34.4 | 10% | 0.102 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -76.9 | 134.1 | -179.7 | -69.4 | -81.7 | 0 | 0 | 0 | 111.1 | P31 M32 G33 W34 L121 D156 Y157 M189 | P31-Y78 HydrophobicContact CB-CD2 3.88Å; P31-Y78 HydrophobicContact CB-CE2 3.71Å; M32-Y78 PolarHBondContact O-N 3Å; G33-Y78 CarbonylContact C-O 3.37Å; G33-Y78 WeakPolarHBondContact CA-O 3.32Å; W34-Y78 PolarHBondContact N-O 2.73Å; Y78-L121 CarbonylContact C-O 3.51Å; Y78-L121 WeakPolarHBondContact CA-O 3.32Å; Y78-L121 HydrophobicContact CD1-CB 3.61Å; Y78-L121 HydrophobicContact CD1-CD1 4.12Å; Y78-L121 HydrophobicContact CD2-CD1 4.46Å; Y78-L121 HydrophobicContact CE1-CB 3.74Å; Y78-L121 HydrophobicContact CE1-CD1 3.59Å; Y78-L121 HydrophobicContact CE1-CG 4.3Å; Y78-L121 HydrophobicContact CE2-CD1 3.97Å; Y78-L121 HydrophobicContact CG-CB 4.27Å; Y78-L121 VanDerWaalsContact CZ-CD1 3.49Å; Y78-D156 HydrophobicContact CE1-CB 4.3Å; Y78-Y157 HydrophobicContact CD1-CD2 4.07Å; Y78-Y157 HydrophobicContact CD1-CG 4.29Å; Y78-Y157 HydrophobicContact CE1-CD2 4.22Å; Y78-Y157 HydrophobicContact CG-CD2 4.49Å; Y78-M189 HydrophobicContact CE2-CE 4.23Å; Y78-M189 WeakPolarHBondContact OH-CE 3.39Å |
| 79 | V | 98.8 | Very high | 98.1 | Very high | 0 Ų | 0 | 36.4 Ų | 36.4 | 0% | 0 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118 | 105.1 | 169.3 | 178.4 | 0 | 0 | 0 | 0 | 107.6 | W34 I59 L66 L115 L120 L121 G123 | W34-V79 HydrophobicContact CE3-CG1 4.08Å; W34-V79 HydrophobicContact CZ3-CG1 4.23Å; I59-V79 HydrophobicContact CG2-CG1 3.74Å; L66-V79 HydrophobicContact CD1-CG2 3.63Å; V79-L115 HydrophobicContact CB-CD1 4.05Å; V79-L115 HydrophobicContact CB-CD2 4.06Å; V79-L115 HydrophobicContact CG1-CD1 4.26Å; V79-L115 HydrophobicContact CG1-CD2 4.16Å; V79-L115 HydrophobicContact CG2-CD2 4Å; V79-L120 HydrophobicContact CG2-CB 4.4Å; V79-L120 HydrophobicContact CG2-CD1 4.09Å; V79-L121 PolarHBondContact N-O 2.93Å; V79-G123 PolarHBondContact O-N 2.83Å |
| 80 | I | 98.8 | Very high | 98.1 | Very high | 1 Ų | 1 | 35.1 Ų | 35.1 | 1% | 0.005 | 18% | 0.176 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.1 | 118.2 | -168.3 | -53.7 | 161.8 | 0 | 0 | 0 | 110 | W34 N35 T36 G123 Y157 I288 | W34-I80 PolarHBondContact O-N 2.93Å; N35-I80 WeakPolarHBondContact CA-O 3.33Å; N35-I80 HydrophobicContact CB-CB 4.08Å; N35-I80 WeakPolarHBondContact ND2-CG2 3.44Å; T36-I80 PolarHBondContact N-O 3Å; T36-I80 VanDerWaalsContact N-O 3.13Å; I80-G123 CarbonylContact C-O 3.55Å; I80-G123 WeakPolarHBondContact CA-O 3.42Å; I80-Y157 HydrophobicContact CD1-CD1 4Å; I80-Y157 HydrophobicContact CD1-CD2 4.35Å; I80-Y157 HydrophobicContact CD1-CE1 3.77Å; I80-Y157 HydrophobicContact CD1-CE2 4.14Å; I80-Y157 HydrophobicContact CD1-CG 4.31Å; I80-Y157 HydrophobicContact CG1-CD1 4Å; I80-Y157 HydrophobicContact CG1-CE1 4.22Å; I80-Y157 HydrophobicContact CG1-CG 4.32Å; I80-Y157 HydrophobicContact CG2-CD1 4.15Å; I80-Y157 HydrophobicContact CG2-CE1 4.15Å; I80-I288 HydrophobicContact CD1-CD1 4.12Å; I80-I288 HydrophobicContact CD1-CG1 4.46Å; I80-I288 HydrophobicContact CD1-CG2 4.09Å |
| 81 | I | 98.5 | Very high | 98.1 | Very high | 0 Ų | 0 | 36.5 Ų | 36.5 | 0% | 0 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.5 | 111.6 | 173.2 | -56.7 | -179.6 | 0 | 0 | 0 | 108.7 | L54 I59 W85 F104 L111 F122 G123 I124 T125 | L54-I81 HydrophobicContact CD1-CG2 4.22Å; I59-I81 HydrophobicContact CD1-CD1 4.29Å; I59-I81 HydrophobicContact CD1-CG1 3.98Å; I59-I81 HydrophobicContact CG1-CD1 3.88Å; I59-I81 HydrophobicContact CG1-CG1 4.12Å; I59-I81 HydrophobicContact CG2-CD1 4.37Å; I81-W85 HydrophobicContact CG2-CB 3.62Å; I81-W85 HydrophobicContact CG2-CG 4.04Å; I81-F104 HydrophobicContact CD1-CE1 4.07Å; I81-F104 HydrophobicContact CG2-CZ 4.49Å; I81-L111 HydrophobicContact CD1-CD2 3.58Å; I81-F122 HydrophobicContact CD1-CE2 3.66Å; I81-F122 HydrophobicContact CD1-CZ 4.23Å; I81-F122 HydrophobicContact CG1-CE2 4.01Å; I81-G123 PolarHBondContact N-O 3.22Å; I81-I124 CarbonylContact O-C 3.4Å; I81-I124 WeakPolarHBondContact O-CA 3.48Å; I81-T125 PolarHBondContact O-N 2.99Å |
| 82 | D | 98.1 | Very high | 98 | Very high | 1 Ų | 1 | 42.7 Ų | 42.7 | 1% | 0.005 | 22% | 0.218 | C | C | . | . | trans | -78.3 | -166.6 | 177 | -140.8 | -76.4 | 0 | 0 | 0 | 112.8 | N35 T36 W37 W85 T125 K159 | N35-D82 PolarHBondContact ND2-OD2 3.28Å; N35-D82 VanDerWaalsContact ND2-OD2 3.13Å; T36-D82 WeakPolarHBondContact OG1-CB 3.27Å; T36-D82 PolarHBondContact OG1-N 3.2Å; W37-D82 HydrophobicContact CB-CB 3.73Å; W37-D82 HydrophobicContact CD2-CB 4.45Å; W37-D82 HydrophobicContact CE3-CB 4.04Å; W37-D82 HydrophobicContact CG-CB 4.39Å; D82-W85 VanDerWaalsContact O-CD1 3.29Å; D82-T125 WeakPolarHBondContact CA-OG1 3.44Å; D82-T125 PolarHBondContact OD2-OG1 3.02Å; D82-K159 IonicContact OD1-NZ 3.61Å; D82-K159 PolarHBondContact OD1-NZ 2.9Å; D82-K159 IonicContact OD2-NZ 2.71Å; D82-K159 PolarHBondContact OD2-NZ 2.76Å | ||
| 83 | D | 97.3 | Very high | 97.9 | Very high | 2 Ų | 2 | 49.4 Ų | 49.4 | 1% | 0.011 | 25% | 0.248 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -51.1 | 162.7 | -175.3 | -153.6 | -11.8 | 0 | 0 | 0 | 113.5 | W37 L54 T132 C133 A134 | W37-D83 HydrophobicContact CE3-CB 4.33Å; W37-D83 HydrophobicContact CH2-CB 4.29Å; W37-D83 HydrophobicContact CZ3-CB 3.71Å; L54-D83 VanDerWaalsContact CD2-O 3.24Å; L54-D83 WeakPolarHBondContact CD2-O 3.29Å; D83-T132 VanDerWaalsContact CG-OG1 3.26Å; D83-T132 WeakPolarHBondContact OD1-CB 3.34Å; D83-T132 PolarHBondContact OD1-OG1 3.48Å; D83-T132 VanDerWaalsContact OD2-CB 3.25Å; D83-T132 WeakPolarHBondContact OD2-CB 3.3Å; D83-T132 PolarHBondContact OD2-OG1 3.37Å; D83-C133 PolarHBondContact OD2-N 2.86Å; D83-A134 WeakPolarHBondContact OD2-CB 3.42Å; D83-A134 PolarHBondContact OD2-N 3.06Å |
| 84 | C | 97.7 | Very high | 97.9 | Very high | 0 Ų | 0 | 47.9 Ų | 47.9 | 0% | 0 | 24% | 0.243 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 76.8 | 10.9 | 177.6 | -43.2 | 0 | 0 | 0 | 0 | 117.3 | C42 V44 L54 R103 A134 Y136 | C42-C84 HydrophobicContact CB-CB 4.02Å; C42-C84 WeakPolarHBondContact CB-SG 3.36Å; C42-C84 WeakPolarHBondContact SG-CB 3.46Å; C42-C84 CovalentContact SG-SG 2.02Å; C42-C84 PolarHBondContact SG-SG 3.25Å; V44-C84 HydrophobicContact CG1-CB 3.87Å; L54-C84 HydrophobicContact CD2-CB 3.98Å; C84-R103 PolarHBondContact O-NH1 2.83Å; C84-R103 PolarHBondContact O-NH2 3.49Å; C84-A134 WeakPolarHBondContact SG-CB 3.15Å; C84-Y136 HydrophobicContact CB-CD2 4.42Å; C84-Y136 HydrophobicContact CB-CE2 3.68Å |
| 85 | W | 98 | Very high | 97.9 | Very high | 0 Ų | 0 | 48 Ų | 48 | 0% | 0 | 25% | 0.246 | C | C | . | . | trans | -78.2 | -24.1 | 170.9 | 67.8 | -90 | 0 | 0 | 0 | 113.7 | I81 D82 L97 P99 D100 F104 M108 I124 T125 I126 W153 | I81-W85 HydrophobicContact CG2-CB 3.62Å; I81-W85 HydrophobicContact CG2-CG 4.04Å; D82-W85 VanDerWaalsContact O-CD1 3.29Å; W85-L97 HydrophobicContact CH2-CB 4.21Å; W85-P99 HydrophobicContact CE3-CB 3.83Å; W85-P99 HydrophobicContact CZ3-CB 3.9Å; W85-D100 PolarHBondContact O-N 3.15Å; W85-F104 HydrophobicContact CB-CE2 3.82Å; W85-F104 HydrophobicContact CB-CZ 4.04Å; W85-M108 HydrophobicContact CE3-CE 4.33Å; W85-M108 HydrophobicContact CE3-CG 4.07Å; W85-M108 HydrophobicContact CE3-SD 3.92Å; W85-M108 HydrophobicContact CZ3-CG 3.81Å; W85-M108 HydrophobicContact CZ3-SD 4.28Å; W85-I124 HydrophobicContact CD2-CD1 3.76Å; W85-I124 HydrophobicContact CD2-CG1 4.17Å; W85-I124 VanDerWaalsContact CE2-CD1 3.47Å; W85-I124 HydrophobicContact CE3-CD1 4.06Å; W85-I124 HydrophobicContact CG-CD1 4.41Å; W85-I124 HydrophobicContact CG-CG1 4.48Å; W85-I124 HydrophobicContact CH2-CD1 3.9Å; W85-I124 HydrophobicContact CZ2-CD1 3.55Å; W85-I124 HydrophobicContact CZ2-CG1 3.85Å; W85-I124 HydrophobicContact CZ3-CD1 4.12Å; W85-T125 PolarHBondContact NE1-O 2.92Å; W85-I126 HydrophobicContact CZ2-CG2 4.13Å; W85-W153 AromaticContact CH2-CH2 3.61Å; W85-W153 HydrophobicContact CH2-CH2 3.61Å; W85-W153 AromaticContact CH2-CZ3 3.37Å; W85-W153 HydrophobicContact CH2-CZ3 3.37Å; W85-W153 HydrophobicContact CZ2-CZ3 4.35Å; W85-W153 AromaticContact CZ3-CH2 3.76Å; W85-W153 HydrophobicContact CZ3-CH2 3.76Å; W85-W153 AromaticContact CZ3-CZ3 3.71Å; W85-W153 HydrophobicContact CZ3-CZ3 3.71Å | ||
| 86 | L | 98 | Very high | 97.8 | Very high | 2 Ų | 2 | 47.6 Ų | 47.6 | 1% | 0.01 | 24% | 0.24 | C | C | . | . | B | Isolated β-bridge | trans | -65.2 | 153.5 | -176.8 | -73.5 | 162.8 | 0 | 0 | 0 | 113 | L97 L98 R103 T132 Y136 | L86-L97 HydrophobicContact CD1-CD2 4.47Å; L86-L97 HydrophobicContact CD2-CB 3.87Å; L86-L97 HydrophobicContact CD2-CD1 4.38Å; L86-L97 HydrophobicContact CD2-CD2 3.68Å; L86-L97 HydrophobicContact CD2-CG 4.18Å; L86-L98 CarbonylContact C-O 3.43Å; L86-L98 WeakPolarHBondContact CA-O 3.34Å; L86-R103 PolarHBondContact O-NH2 2.84Å; L86-T132 HydrophobicContact CD1-CG2 3.93Å; L86-Y136 HydrophobicContact CB-CD1 3.64Å; L86-Y136 HydrophobicContact CB-CE1 4.5Å; L86-Y136 HydrophobicContact CB-CG 4.03Å; L86-Y136 VanDerWaalsContact O-CD1 3.28Å; L86-Y136 WeakPolarHBondContact O-CD1 3.38Å; L86-Y136 WeakPolarHBondContact O-CE1 3.26Å |
| 87 | S | 97.9 | Very high | 97.8 | Very high | 36 Ų | 36 | 47.7 Ų | 47.7 | 25% | 0.252 | 24% | 0.241 | S | C | . | . | trans | -65.2 | 156.7 | 155.3 | 175.5 | 0 | 0 | 0 | 0 | 110 | L89 L98 P137 | S87-L89 WeakPolarHBondContact CB-O 3.42Å; S87-L89 PolarHBondContact O-N 2.82Å; S87-L89 PolarHBondContact OG-N 3.44Å; S87-L89 PolarHBondContact OG-O 3.08Å; S87-L98 WeakPolarHBondContact CB-O 3.25Å; S87-L98 PolarHBondContact N-O 3.41Å; S87-P137 VanDerWaalsContact O-CD 3.31Å; S87-P137 WeakPolarHBondContact O-CD 3.36Å | ||
| 88 | R | 96.9 | Very high | 97.8 | Very high | 146 Ų | 146 | 45.9 Ų | 45.9 | 55% | 0.551 | 24% | 0.235 | S | C | * | . | S | Bend | trans | -67.1 | -20.8 | 175.9 | -69.4 | -64.3 | -172.8 | -177.5 | -2.4 | 113.2 | ||
| 89 | L | 96.7 | Very high | 97.8 | Very high | 126 Ų | 126 | 45.6 Ų | 45.6 | 66% | 0.66 | 24% | 0.237 | S | C | * | . | S | Bend | trans | -129.1 | 146.8 | -179.5 | -60.1 | 174.1 | 0 | 0 | 0 | 109.9 | S87 | S87-L89 WeakPolarHBondContact CB-O 3.42Å; S87-L89 PolarHBondContact O-N 2.82Å; S87-L89 PolarHBondContact OG-N 3.44Å; S87-L89 PolarHBondContact OG-O 3.08Å |
| 90 | R | 98 | Very high | 97.7 | Very high | 29 Ų | 29 | 47.4 Ų | 47.4 | 11% | 0.109 | 25% | 0.246 | C | C | . | . | trans | -66.7 | 163.8 | 165.4 | -75.2 | 169.3 | 172.2 | -80.5 | -0.7 | 110.3 | T92 V95 A96 L97 P137 G138 D146 | R90-T92 PolarHBondContact O-N 3.15Å; R90-V95 HydrophobicContact CB-CG1 4.45Å; R90-V95 VanDerWaalsContact CD-O 3.26Å; R90-V95 WeakPolarHBondContact CD-O 3.5Å; R90-V95 PolarHBondContact NH1-O 2.89Å; R90-A96 WeakPolarHBondContact CA-O 3.41Å; R90-A96 WeakPolarHBondContact CB-O 3.44Å; R90-L97 HydrophobicContact CG-CD2 4.33Å; R90-L97 VanDerWaalsContact CZ-CD2 3.41Å; R90-L97 VanDerWaalsContact NH2-CD2 3.34Å; R90-P137 HydrophobicContact CG-CB 3.98Å; R90-P137 HydrophobicContact CG-CG 4.4Å; R90-G138 PolarHBondContact NH2-O 2.86Å; R90-D146 IonicContact CZ-OD1 3.02Å; R90-D146 IonicContact CZ-OD2 3.56Å; R90-D146 IonicContact NH1-OD1 3.78Å; R90-D146 PolarHBondContact NH1-OD1 3.08Å; R90-D146 IonicContact NH1-OD2 2.78Å; R90-D146 IonicContact NH2-OD1 2.95Å; R90-D146 PolarHBondContact NH2-OD1 3.24Å; R90-D146 IonicContact NH2-OD2 3.4Å; R90-D146 PolarHBondContact NH2-OD2 2.87Å | ||
| 91 | D | 97.8 | Very high | 97.6 | Very high | 46 Ų | 46 | 52 Ų | 52 | 25% | 0.246 | 28% | 0.279 | C | S | . | . | trans | -57.9 | 132.3 | 173.1 | -176.3 | -88.3 | 0 | 0 | 0 | 110.9 | K93 T94 V95 A96 L98 | D91-K93 PolarHBondContact O-N 2.9Å; D91-K93 WeakPolarHBondContact OD1-CA 3.41Å; D91-K93 PolarHBondContact OD1-N 2.86Å; D91-T94 VanDerWaalsContact CB-OG1 3.23Å; D91-T94 WeakPolarHBondContact CB-OG1 3.46Å; D91-T94 PolarHBondContact OD1-N 3.35Å; D91-T94 PolarHBondContact OD1-OG1 3.33Å; D91-V95 WeakPolarHBondContact O-CA 3.44Å; D91-V95 PolarHBondContact O-N 2.54Å; D91-A96 PolarHBondContact N-O 3.29Å; D91-L98 HydrophobicContact CB-CD1 3.77Å; D91-L98 HydrophobicContact CB-CD2 4.15Å; D91-L98 HydrophobicContact CB-CG 3.92Å | ||
| 92 | T | 96.7 | Very high | 97.5 | Very high | 135 Ų | 135 | 56.5 Ų | 56.5 | 83% | 0.828 | 31% | 0.31 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73.1 | -15.6 | -172 | 55 | 0 | 0 | 0 | 0 | 114 | R90 | R90-T92 PolarHBondContact O-N 3.15Š|
| 93 | K | 97 | Very high | 97.4 | Very high | 189 Ų | 189 | 56.8 Ų | 56.8 | 82% | 0.822 | 31% | 0.311 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -103.9 | -47.5 | -179.8 | -65.1 | -177.9 | 179.4 | 179.1 | 0 | 112 | D91 | D91-K93 PolarHBondContact O-N 2.9Å; D91-K93 WeakPolarHBondContact OD1-CA 3.41Å; D91-K93 PolarHBondContact OD1-N 2.86Å |
| 94 | T | 97.1 | Very high | 97.4 | Very high | 81 Ų | 81 | 56.8 Ų | 56.8 | 50% | 0.497 | 31% | 0.311 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -96.2 | -13.6 | -173.1 | 61.7 | 0 | 0 | 0 | 0 | 113 | D91 A96 L145 | D91-T94 VanDerWaalsContact CB-OG1 3.23Å; D91-T94 WeakPolarHBondContact CB-OG1 3.46Å; D91-T94 PolarHBondContact OD1-N 3.35Å; D91-T94 PolarHBondContact OD1-OG1 3.33Å; T94-A96 PolarHBondContact O-N 2.98Å; T94-A96 VanDerWaalsContact O-N 3.09Å; T94-A96 WeakPolarHBondContact OG1-CB 3.31Å; T94-A96 PolarHBondContact OG1-N 3.4Å; T94-L145 WeakPolarHBondContact O-CD2 3.32Å |
| 95 | V | 97.6 | Very high | 97.4 | Very high | 66 Ų | 66 | 61.4 Ų | 61.4 | 40% | 0.4 | 34% | 0.341 | S | S | . | . | trans | 60 | 11.3 | -173.8 | -123.9 | 0 | 0 | 0 | 0 | 114.2 | R90 D91 F142 L145 | R90-V95 HydrophobicContact CB-CG1 4.45Å; R90-V95 VanDerWaalsContact CD-O 3.26Å; R90-V95 WeakPolarHBondContact CD-O 3.5Å; R90-V95 PolarHBondContact NH1-O 2.89Å; D91-V95 WeakPolarHBondContact O-CA 3.44Å; D91-V95 PolarHBondContact O-N 2.54Å; V95-F142 HydrophobicContact CB-CD1 4.47Å; V95-F142 HydrophobicContact CB-CE1 4.04Å; V95-F142 HydrophobicContact CG1-CE1 3.7Å; V95-F142 HydrophobicContact CG1-CZ 4.08Å; V95-L145 HydrophobicContact CB-CD2 4.3Å | ||
| 96 | A | 98 | Very high | 97.4 | Very high | 14 Ų | 14 | 63.2 Ų | 63.2 | 12% | 0.116 | 35% | 0.354 | C | S | . | . | trans | -68.9 | 154 | 178.1 | 0 | 0 | 0 | 0 | 0 | 111.7 | R90 D91 T94 | R90-A96 WeakPolarHBondContact CA-O 3.41Å; R90-A96 WeakPolarHBondContact CB-O 3.44Å; D91-A96 PolarHBondContact N-O 3.29Å; T94-A96 PolarHBondContact O-N 2.98Å; T94-A96 VanDerWaalsContact O-N 3.09Å; T94-A96 WeakPolarHBondContact OG1-CB 3.31Å; T94-A96 PolarHBondContact OG1-N 3.4Å | ||
| 97 | L | 98.3 | Very high | 97.4 | Very high | 3 Ų | 3 | 64 Ų | 64 | 2% | 0.016 | 36% | 0.363 | C | S | . | . | trans | -61.8 | 138.3 | 168.4 | -67.1 | 172.8 | 0 | 0 | 0 | 109.7 | W85 L86 R90 I126 P137 D146 W153 | W85-L97 HydrophobicContact CH2-CB 4.21Å; L86-L97 HydrophobicContact CD1-CD2 4.47Å; L86-L97 HydrophobicContact CD2-CB 3.87Å; L86-L97 HydrophobicContact CD2-CD1 4.38Å; L86-L97 HydrophobicContact CD2-CD2 3.68Å; L86-L97 HydrophobicContact CD2-CG 4.18Å; R90-L97 HydrophobicContact CG-CD2 4.33Å; R90-L97 VanDerWaalsContact CZ-CD2 3.41Å; R90-L97 VanDerWaalsContact NH2-CD2 3.34Å; L97-I126 HydrophobicContact CD1-CG2 3.83Å; L97-P137 HydrophobicContact CD2-CB 4.24Å; L97-D146 HydrophobicContact CD1-CB 4.25Å; L97-W153 HydrophobicContact CB-CH2 4.2Å; L97-W153 WeakPolarHBondContact O-CH2 3.45Å; L97-W153 WeakPolarHBondContact O-CZ2 3.49Å | ||
| 98 | L | 98 | Very high | 97.4 | Very high | 60 Ų | 60 | 62.4 Ų | 62.4 | 31% | 0.314 | 35% | 0.351 | S | S | . | . | trans | -119.6 | 136.8 | 175 | -69 | 177.8 | 0 | 0 | 0 | 109.3 | L86 S87 D91 | L86-L98 CarbonylContact C-O 3.43Å; L86-L98 WeakPolarHBondContact CA-O 3.34Å; S87-L98 WeakPolarHBondContact CB-O 3.25Å; S87-L98 PolarHBondContact N-O 3.41Å; D91-L98 HydrophobicContact CB-CD1 3.77Å; D91-L98 HydrophobicContact CB-CD2 4.15Å; D91-L98 HydrophobicContact CB-CG 3.92Å | ||
| 99 | P | 98.2 | Very high | 97.5 | Very high | 20 Ų | 20 | 59.8 Ų | 59.8 | 13% | 0.13 | 34% | 0.344 | C | S | . | . | B | Isolated β-bridge | trans | -68.8 | 158.1 | 164.3 | 32.6 | -35.3 | 0 | 0 | 0 | 110.4 | W85 S101 F104 M108 | W85-P99 HydrophobicContact CE3-CB 3.83Å; W85-P99 HydrophobicContact CZ3-CB 3.9Å; P99-S101 PolarHBondContact O-N 3.15Å; P99-S101 VanDerWaalsContact O-N 3.17Å; P99-F104 HydrophobicContact CB-CB 4.05Å; P99-M108 HydrophobicContact CB-CE 3.39Å; P99-M108 HydrophobicContact CB-CG 4.01Å; P99-M108 HydrophobicContact CB-SD 4.35Å; P99-M108 HydrophobicContact CG-CE 4.11Å; P99-M108 HydrophobicContact CG-CG 4.17Å |
| 100 | D | 97.9 | Very high | 97.6 | Very high | 38 Ų | 38 | 57.7 Ų | 57.7 | 20% | 0.203 | 33% | 0.333 | C | S | . | . | trans | -64.9 | 114.6 | 170.1 | -176 | -50.6 | 0 | 0 | 0 | 110.4 | W85 S102 R103 F104 | W85-D100 PolarHBondContact O-N 3.15Å; D100-S102 PolarHBondContact O-N 3.12Å; D100-S102 WeakPolarHBondContact OD1-CB 3.3Å; D100-S102 PolarHBondContact OD1-N 3.13Å; D100-S102 PolarHBondContact OD1-OG 3.23Å; D100-R103 HydrophobicContact CB-CB 4.34Å; D100-R103 PolarHBondContact O-N 2.96Å; D100-R103 PolarHBondContact OD1-N 3.37Å; D100-R103 IonicContact OD1-NE 3.92Å; D100-R103 IonicContact OD2-CZ 3.42Å; D100-R103 IonicContact OD2-NE 3Å; D100-R103 PolarHBondContact OD2-NE 3.05Å; D100-R103 IonicContact OD2-NH2 3.25Å; D100-R103 PolarHBondContact OD2-NH2 3.44Å; D100-F104 PolarHBondContact O-N 3.43Å | ||
| 101 | S | 96.7 | Very high | 97.6 | Very high | 98 Ų | 98 | 56.4 Ų | 56.4 | 69% | 0.685 | 33% | 0.328 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.8 | -21.7 | -173 | 57.5 | 0 | 0 | 0 | 0 | 114 | P99 P105 | P99-S101 PolarHBondContact O-N 3.15Å; P99-S101 VanDerWaalsContact O-N 3.17Å; S101-P105 VanDerWaalsContact O-CA 3.31Å; S101-P105 WeakPolarHBondContact O-CA 3.44Å |
| 102 | S | 95.5 | Very high | 97.7 | Very high | 95 Ų | 95 | 54.2 Ų | 54.2 | 66% | 0.664 | 32% | 0.317 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79 | -33.6 | 176.7 | 73.1 | 0 | 0 | 0 | 0 | 111.9 | D100 | D100-S102 PolarHBondContact O-N 3.12Å; D100-S102 WeakPolarHBondContact OD1-CB 3.3Å; D100-S102 PolarHBondContact OD1-N 3.13Å; D100-S102 PolarHBondContact OD1-OG 3.23Å |
| 103 | R | 96.3 | Very high | 97.8 | Very high | 7 Ų | 7 | 51.7 Ų | 51.7 | 3% | 0.026 | 30% | 0.295 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -95.2 | -27.4 | -176.7 | -64.6 | -178.9 | -65.7 | 118.9 | -5.3 | 113.1 | V44 L54 N55 E56 C84 L86 D100 P105 | V44-R103 WeakPolarHBondContact O-CD 3.4Å; L54-R103 WeakPolarHBondContact O-CD 3.48Å; L54-R103 PolarHBondContact O-NH1 2.84Å; N55-R103 WeakPolarHBondContact CA-O 3.35Å; N55-R103 HydrophobicContact CB-CB 4.01Å; N55-R103 HydrophobicContact CB-CG 4.49Å; N55-R103 WeakPolarHBondContact CB-O 3.43Å; E56-R103 WeakPolarHBondContact CB-O 3.34Å; E56-R103 PolarHBondContact N-O 2.95Å; C84-R103 PolarHBondContact O-NH1 2.83Å; C84-R103 PolarHBondContact O-NH2 3.49Å; L86-R103 PolarHBondContact O-NH2 2.84Å; D100-R103 HydrophobicContact CB-CB 4.34Å; D100-R103 PolarHBondContact O-N 2.96Å; D100-R103 PolarHBondContact OD1-N 3.37Å; D100-R103 IonicContact OD1-NE 3.92Å; D100-R103 IonicContact OD2-CZ 3.42Å; D100-R103 IonicContact OD2-NE 3Å; D100-R103 PolarHBondContact OD2-NE 3.05Å; D100-R103 IonicContact OD2-NH2 3.25Å; D100-R103 PolarHBondContact OD2-NH2 3.44Å; R103-P105 VanDerWaalsContact C-CD 3.4Å |
| 104 | F | 97.8 | Very high | 97.9 | Very high | 2 Ų | 2 | 45.4 Ų | 45.4 | 1% | 0.009 | 27% | 0.267 | C | S | . | . | trans | -128.2 | 62.4 | 178.4 | -59.4 | -85.9 | 0 | 0 | 0 | 111 | L54 E56 I59 I81 W85 P99 D100 S106 G107 M108 L111 | L54-F104 HydrophobicContact CG-CZ 4.27Å; E56-F104 HydrophobicContact CB-CD1 3.84Å; I59-F104 HydrophobicContact CG1-CE1 4.24Å; I81-F104 HydrophobicContact CD1-CE1 4.07Å; I81-F104 HydrophobicContact CG2-CZ 4.49Å; W85-F104 HydrophobicContact CB-CE2 3.82Å; W85-F104 HydrophobicContact CB-CZ 4.04Å; P99-F104 HydrophobicContact CB-CB 4.05Å; D100-F104 PolarHBondContact O-N 3.43Å; F104-S106 PolarHBondContact O-N 2.94Å; F104-G107 PolarHBondContact O-N 3.48Å; F104-M108 HydrophobicContact CB-CE 3.34Å; F104-M108 HydrophobicContact CD1-CE 3.31Å; F104-M108 HydrophobicContact CD2-CE 3.95Å; F104-M108 HydrophobicContact CE1-CE 4.02Å; F104-M108 HydrophobicContact CG-CE 3.25Å; F104-L111 HydrophobicContact CD1-CD2 4.11Å; F104-L111 HydrophobicContact CE1-CD2 4.18Å | ||
| 105 | P | 97.3 | Very high | 97.9 | Very high | 96 Ų | 96 | 41.6 Ų | 41.6 | 62% | 0.623 | 24% | 0.244 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -61.6 | -26.9 | -171.7 | 26 | -36.6 | 0 | 0 | 0 | 113.9 | E56 S101 R103 G107 | E56-P105 VanDerWaalsContact OE2-CD 3.27Å; E56-P105 WeakPolarHBondContact OE2-CD 3.39Å; S101-P105 VanDerWaalsContact O-CA 3.31Å; S101-P105 WeakPolarHBondContact O-CA 3.44Å; R103-P105 VanDerWaalsContact C-CD 3.4Å; P105-G107 VanDerWaalsContact C-N 3.35Å |
| 106 | S | 97.9 | Very high | 98 | Very high | 38 Ų | 38 | 40.6 Ų | 40.6 | 27% | 0.266 | 23% | 0.234 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -81.4 | -13.6 | 176 | 81.6 | 0 | 0 | 0 | 0 | 113.8 | E56 F104 N110 | E56-S106 VanDerWaalsContact OE1-CB 3.28Å; E56-S106 WeakPolarHBondContact OE1-CB 3.36Å; E56-S106 PolarHBondContact OE1-OG 2.88Å; E56-S106 WeakPolarHBondContact OE2-CB 3.43Å; E56-S106 PolarHBondContact OE2-N 2.97Å; E56-S106 VanDerWaalsContact OE2-N 3.13Å; E56-S106 PolarHBondContact OE2-OG 2.9Å; F104-S106 PolarHBondContact O-N 2.94Å; S106-N110 WeakPolarHBondContact O-CB 3.36Å; S106-N110 PolarHBondContact O-ND2 3.42Å; S106-N110 WeakPolarHBondContact OG-CB 3.48Å |
| 107 | G | 98 | Very high | 98 | Very high | 19 Ų | 19 | 44.2 Ų | 44.2 | 20% | 0.196 | 26% | 0.259 | C | S | . | . | trans | 80.1 | 164.2 | -173.7 | 0 | 0 | 0 | 0 | 0 | 114.3 | F104 P105 K109 N110 L111 | F104-G107 PolarHBondContact O-N 3.48Å; P105-G107 VanDerWaalsContact C-N 3.35Å; G107-K109 PolarHBondContact O-N 2.76Å; G107-N110 PolarHBondContact O-N 2.86Å; G107-L111 PolarHBondContact O-N 3.46Å | ||
| 108 | M | 98.5 | Very high | 98.1 | Very high | 2 Ų | 2 | 46.1 Ų | 46.1 | 1% | 0.01 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -66.7 | -36.8 | -171.8 | -67.7 | -58.3 | 106 | 0 | 0 | 113.5 | W85 P99 F104 N110 L111 A112 F122 I124 W153 | W85-M108 HydrophobicContact CE3-CE 4.33Å; W85-M108 HydrophobicContact CE3-CG 4.07Å; W85-M108 HydrophobicContact CE3-SD 3.92Å; W85-M108 HydrophobicContact CZ3-CG 3.81Å; W85-M108 HydrophobicContact CZ3-SD 4.28Å; P99-M108 HydrophobicContact CB-CE 3.39Å; P99-M108 HydrophobicContact CB-CG 4.01Å; P99-M108 HydrophobicContact CB-SD 4.35Å; P99-M108 HydrophobicContact CG-CE 4.11Å; P99-M108 HydrophobicContact CG-CG 4.17Å; F104-M108 HydrophobicContact CB-CE 3.34Å; F104-M108 HydrophobicContact CD1-CE 3.31Å; F104-M108 HydrophobicContact CD2-CE 3.95Å; F104-M108 HydrophobicContact CE1-CE 4.02Å; F104-M108 HydrophobicContact CG-CE 3.25Å; M108-N110 PolarHBondContact O-N 3.13Å; M108-L111 PolarHBondContact O-N 2.59Å; M108-A112 PolarHBondContact O-N 3.01Å; M108-F122 HydrophobicContact CB-CE1 4.36Å; M108-F122 HydrophobicContact SD-CZ 4Å; M108-I124 HydrophobicContact CG-CD1 4.23Å; M108-I124 HydrophobicContact SD-CD1 3.94Å; M108-W153 HydrophobicContact CB-CB 4.32Å; M108-W153 HydrophobicContact CB-CD2 3.55Å; M108-W153 HydrophobicContact CB-CE3 3.52Å; M108-W153 HydrophobicContact CB-CG 3.93Å; M108-W153 HydrophobicContact CB-CZ3 4.03Å; M108-W153 HydrophobicContact CG-CD2 4.2Å; M108-W153 HydrophobicContact CG-CE3 3.77Å; M108-W153 HydrophobicContact CG-CH2 4.16Å; M108-W153 HydrophobicContact CG-CZ3 3.76Å |
| 109 | K | 98.5 | Very high | 98.1 | Very high | 91 Ų | 91 | 49 Ų | 49 | 40% | 0.396 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -60.9 | -44.7 | 178.2 | -173.5 | 172.9 | -175.1 | 162.2 | 0 | 112.6 | G107 L111 A112 Q113 E152 W153 | G107-K109 PolarHBondContact O-N 2.76Å; K109-L111 VanDerWaalsContact C-N 3.3Å; K109-L111 PolarHBondContact O-N 2.8Å; K109-A112 WeakPolarHBondContact O-CB 3.26Å; K109-A112 PolarHBondContact O-N 3.45Å; K109-Q113 WeakPolarHBondContact O-CG 3.25Å; K109-Q113 PolarHBondContact O-N 3.12Å; K109-E152 WeakPolarHBondContact CD-O 3.19Å; K109-W153 HydrophobicContact CB-CB 4.46Å; K109-W153 HydrophobicContact CB-CG 4.47Å |
| 110 | N | 98.7 | Very high | 98.1 | Very high | 83 Ų | 83 | 48 Ų | 48 | 44% | 0.444 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -66.9 | -34.7 | 178.2 | -74.1 | -24.6 | 0 | 0 | 0 | 111.4 | S106 G107 M108 Y114 | S106-N110 WeakPolarHBondContact O-CB 3.36Å; S106-N110 PolarHBondContact O-ND2 3.42Å; S106-N110 WeakPolarHBondContact OG-CB 3.48Å; G107-N110 PolarHBondContact O-N 2.86Å; M108-N110 PolarHBondContact O-N 3.13Å; N110-Y114 PolarHBondContact O-N 3.46Å |
| 111 | L | 98.7 | Very high | 98.2 | Very high | 1 Ų | 1 | 48.7 Ų | 48.7 | 1% | 0.005 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -66.6 | -42.2 | 172.7 | -176.5 | 55 | 0 | 0 | 0 | 112 | E56 I59 K60 I81 F104 G107 M108 K109 Y114 L115 | E56-L111 HydrophobicContact CG-CD1 4.3Å; I59-L111 HydrophobicContact CB-CD1 4.33Å; I59-L111 HydrophobicContact CB-CD2 4.33Å; I59-L111 HydrophobicContact CG1-CD2 4.43Å; I59-L111 HydrophobicContact CG2-CD1 4.05Å; I59-L111 HydrophobicContact CG2-CD2 4.17Å; I59-L111 HydrophobicContact CG2-CG 4.46Å; K60-L111 HydrophobicContact CG-CD1 4.03Å; I81-L111 HydrophobicContact CD1-CD2 3.58Å; F104-L111 HydrophobicContact CD1-CD2 4.11Å; F104-L111 HydrophobicContact CE1-CD2 4.18Å; G107-L111 PolarHBondContact O-N 3.46Å; M108-L111 PolarHBondContact O-N 2.59Å; K109-L111 VanDerWaalsContact C-N 3.3Å; K109-L111 PolarHBondContact O-N 2.8Å; L111-Y114 WeakPolarHBondContact O-CB 2.93Å; L111-Y114 PolarHBondContact O-N 3.36Å; L111-L115 WeakPolarHBondContact O-CG 3.36Å; L111-L115 PolarHBondContact O-N 3.11Å |
| 112 | A | 98.8 | Very high | 98.3 | Very high | 0 Ų | 0 | 44 Ų | 44 | 0% | 0 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -59.2 | -47.8 | 174.2 | 0 | 0 | 0 | 0 | 0 | 111.2 | M108 K109 Y114 L115 H116 F122 W153 E154 | M108-A112 PolarHBondContact O-N 3.01Å; K109-A112 WeakPolarHBondContact O-CB 3.26Å; K109-A112 PolarHBondContact O-N 3.45Å; A112-Y114 VanDerWaalsContact C-N 3.3Å; A112-Y114 PolarHBondContact O-N 3.34Å; A112-L115 WeakPolarHBondContact O-CB 3.03Å; A112-L115 PolarHBondContact O-N 3.42Å; A112-H116 PolarHBondContact O-N 3.47Å; A112-H116 PolarHBondContact O-ND1 2.94Å; A112-F122 HydrophobicContact CB-CB 4.1Å; A112-F122 HydrophobicContact CB-CD1 3.47Å; A112-F122 VanDerWaalsContact CB-CD1 3.47Å; A112-F122 HydrophobicContact CB-CE1 4.17Å; A112-F122 HydrophobicContact CB-CG 4.03Å; A112-W153 WeakPolarHBondContact CB-O 3.34Å; A112-E154 HydrophobicContact CB-CB 4.3Å |
| 113 | Q | 98.8 | Very high | 98.4 | Very high | 82 Ų | 82 | 39.5 Ų | 39.5 | 38% | 0.383 | 22% | 0.216 | S | C | . | . | H | α-helix | trans | -61.1 | -37.4 | 176.8 | -71 | 176.7 | -12.8 | 0 | 0 | 112.6 | K109 H116 S117 E154 | K109-Q113 WeakPolarHBondContact O-CG 3.25Å; K109-Q113 PolarHBondContact O-N 3.12Å; Q113-H116 PolarHBondContact O-N 2.88Å; Q113-S117 WeakPolarHBondContact O-CB 3.43Å; Q113-S117 PolarHBondContact O-N 3.18Å; Q113-E154 PolarHBondContact NE2-OE1 3.18Å |
| 114 | Y | 98.8 | Very high | 98.5 | Very high | 58 Ų | 58 | 39.2 Ų | 39.2 | 23% | 0.227 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -60.6 | -46.3 | 171.7 | -178.1 | -96.6 | 0 | 0 | 0 | 111.8 | K60 A63 D64 N110 L111 A112 S117 K118 | K60-Y114 HydrophobicContact CB-CD1 4.34Å; K60-Y114 HydrophobicContact CB-CE1 3.67Å; K60-Y114 HydrophobicContact CD-CD1 4.3Å; K60-Y114 HydrophobicContact CD-CD2 4.46Å; K60-Y114 HydrophobicContact CD-CE1 4.19Å; K60-Y114 HydrophobicContact CD-CE2 4.36Å; K60-Y114 HydrophobicContact CD-CG 4.41Å; K60-Y114 HydrophobicContact CG-CD1 3.68Å; K60-Y114 HydrophobicContact CG-CE1 3.51Å; K60-Y114 HydrophobicContact CG-CG 4.25Å; A63-Y114 HydrophobicContact CB-CE1 4.32Å; D64-Y114 VanDerWaalsContact CG-OH 3.23Å; D64-Y114 PolarHBondContact OD1-OH 3.25Å; D64-Y114 PolarHBondContact OD2-OH 3.16Å; N110-Y114 PolarHBondContact O-N 3.46Å; L111-Y114 WeakPolarHBondContact O-CB 2.93Å; L111-Y114 PolarHBondContact O-N 3.36Å; A112-Y114 VanDerWaalsContact C-N 3.3Å; A112-Y114 PolarHBondContact O-N 3.34Å; Y114-S117 PolarHBondContact O-N 3.32Å; Y114-S117 PolarHBondContact O-OG 2.8Å; Y114-K118 HydrophobicContact CD1-CD 4.45Å; Y114-K118 HydrophobicContact CE1-CD 3.94Å; Y114-K118 WeakPolarHBondContact OH-CE 3.36Å; Y114-K118 PolarHBondContact OH-NZ 3.32Å |
| 115 | L | 98.9 | Very high | 98.6 | Very high | 0 Ų | 0 | 39.2 Ų | 39.2 | 0% | 0 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -64.2 | -44.9 | 177.2 | -65.8 | 173.4 | 0 | 0 | 0 | 111.6 | A63 V79 L111 A112 S117 K118 N119 L120 F122 | A63-L115 HydrophobicContact CB-CD2 3.44Å; A63-L115 VanDerWaalsContact CB-CD2 3.44Å; V79-L115 HydrophobicContact CB-CD1 4.05Å; V79-L115 HydrophobicContact CB-CD2 4.06Å; V79-L115 HydrophobicContact CG1-CD1 4.26Å; V79-L115 HydrophobicContact CG1-CD2 4.16Å; V79-L115 HydrophobicContact CG2-CD2 4Å; L111-L115 WeakPolarHBondContact O-CG 3.36Å; L111-L115 PolarHBondContact O-N 3.11Å; A112-L115 WeakPolarHBondContact O-CB 3.03Å; A112-L115 PolarHBondContact O-N 3.42Å; L115-S117 VanDerWaalsContact C-N 3.31Å; L115-S117 PolarHBondContact O-N 3.15Å; L115-K118 WeakPolarHBondContact O-CA 3.5Å; L115-K118 WeakPolarHBondContact O-CB 3.45Å; L115-K118 PolarHBondContact O-N 2.74Å; L115-N119 PolarHBondContact O-N 3.34Å; L115-L120 CarbonylContact C-O 3.58Å; L115-L120 HydrophobicContact CB-CB 4.25Å; L115-L120 HydrophobicContact CD2-CB 4.45Å; L115-L120 HydrophobicContact CD2-CD1 4.2Å; L115-L120 WeakPolarHBondContact O-CB 3.16Å; L115-L120 PolarHBondContact O-N 2.89Å; L115-F122 HydrophobicContact CD1-CB 3.8Å; L115-F122 HydrophobicContact CD1-CD2 3.56Å; L115-F122 HydrophobicContact CD1-CE2 4.49Å; L115-F122 HydrophobicContact CD1-CG 3.96Å |
| 116 | H | 98.8 | Very high | 98.6 | Very high | 45 Ų | 45 | 34.7 Ų | 34.7 | 21% | 0.208 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -60.7 | -39.3 | 176.4 | -62 | 152.6 | 0 | 0 | 0 | 112.1 | A112 Q113 K118 N119 L120 E154 D156 R186 | A112-H116 PolarHBondContact O-N 3.47Å; A112-H116 PolarHBondContact O-ND1 2.94Å; Q113-H116 PolarHBondContact O-N 2.88Å; H116-K118 PolarHBondContact O-N 3.44Å; H116-N119 PolarHBondContact O-N 2.81Å; H116-L120 PolarHBondContact CD2-O 2.94Å; H116-E154 PolarHBondContact CE1-O 3.41Å; H116-E154 IonicContact CE1-OE2 2.75Å; H116-E154 IonicContact ND1-OE2 3.08Å; H116-E154 PolarHBondContact ND1-OE2 3.14Å; H116-D156 IonicContact CD2-OD2 2.71Å; H116-D156 IonicContact NE2-OD1 3.26Å; H116-D156 IonicContact NE2-OD2 2.89Å; H116-D156 PolarHBondContact NE2-OD2 3.22Å; H116-R186 PolarHBondContact CE1-NH2 2.85Å |
| 117 | S | 98.7 | Very high | 98.6 | Very high | 90 Ų | 90 | 32.9 Ų | 32.9 | 63% | 0.629 | 17% | 0.173 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -60 | -17.1 | 175.6 | 80.6 | 0 | 0 | 0 | 0 | 113.4 | Q113 Y114 L115 | Q113-S117 WeakPolarHBondContact O-CB 3.43Å; Q113-S117 PolarHBondContact O-N 3.18Å; Y114-S117 PolarHBondContact O-N 3.32Å; Y114-S117 PolarHBondContact O-OG 2.8Å; L115-S117 VanDerWaalsContact C-N 3.31Å; L115-S117 PolarHBondContact O-N 3.15Å |
| 118 | K | 98.6 | Very high | 98.6 | Very high | 43 Ų | 43 | 32.5 Ų | 32.5 | 19% | 0.187 | 17% | 0.166 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -102.3 | 5.5 | 178 | -69.3 | -176 | -171.9 | -66.9 | 0 | 113.9 | A63 D64 V67 R72 Y114 L115 H116 L120 | A63-K118 HydrophobicContact CB-CD 4.38Å; D64-K118 WeakPolarHBondContact OD1-CE 3.44Å; D64-K118 IonicContact OD1-NZ 3.56Å; D64-K118 PolarHBondContact OD1-NZ 3.45Å; V67-K118 HydrophobicContact CG2-CB 3.95Å; V67-K118 HydrophobicContact CG2-CD 4.33Å; V67-K118 HydrophobicContact CG2-CG 4.47Å; R72-K118 VanDerWaalsContact CD-O 3.25Å; R72-K118 WeakPolarHBondContact CD-O 3.47Å; R72-K118 PolarHBondContact NH1-O 3.47Å; Y114-K118 HydrophobicContact CD1-CD 4.45Å; Y114-K118 HydrophobicContact CE1-CD 3.94Å; Y114-K118 WeakPolarHBondContact OH-CE 3.36Å; Y114-K118 PolarHBondContact OH-NZ 3.32Å; L115-K118 WeakPolarHBondContact O-CA 3.5Å; L115-K118 WeakPolarHBondContact O-CB 3.45Å; L115-K118 PolarHBondContact O-N 2.74Å; H116-K118 PolarHBondContact O-N 3.44Å; K118-L120 HydrophobicContact CB-CD1 4.09Å; K118-L120 HydrophobicContact CB-CG 4.21Å; K118-L120 PolarHBondContact O-N 2.95Å |
| 119 | N | 98.5 | Very high | 98.5 | Very high | 120 Ų | 120 | 32.4 Ų | 32.4 | 64% | 0.642 | 17% | 0.165 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 56.7 | 33.2 | -169.6 | -59.8 | -38.4 | 0 | 0 | 0 | 112.8 | L115 H116 | L115-N119 PolarHBondContact O-N 3.34Å; H116-N119 PolarHBondContact O-N 2.81Å |
| 120 | L | 98.9 | Very high | 98.4 | Very high | 1 Ų | 1 | 33 Ų | 33 | 1% | 0.005 | 18% | 0.177 | C | C | . | . | trans | -101 | 163.7 | 167.7 | -64.3 | 169.2 | 0 | 0 | 0 | 109.3 | A63 L66 V67 R72 K77 V79 L115 H116 K118 | A63-L120 HydrophobicContact CB-CD1 3.69Å; L66-L120 HydrophobicContact CB-CD2 4.43Å; L66-L120 HydrophobicContact CD1-CD2 4.48Å; V67-L120 HydrophobicContact CG2-CD1 4.15Å; V67-L120 HydrophobicContact CG2-CG 4.43Å; R72-L120 HydrophobicContact CB-CD2 4.02Å; R72-L120 HydrophobicContact CG-CD2 3.85Å; K77-L120 WeakPolarHBondContact O-CA 3.4Å; K77-L120 WeakPolarHBondContact O-CD2 3.42Å; V79-L120 HydrophobicContact CG2-CB 4.4Å; V79-L120 HydrophobicContact CG2-CD1 4.09Å; L115-L120 CarbonylContact C-O 3.58Å; L115-L120 HydrophobicContact CB-CB 4.25Å; L115-L120 HydrophobicContact CD2-CB 4.45Å; L115-L120 HydrophobicContact CD2-CD1 4.2Å; L115-L120 WeakPolarHBondContact O-CB 3.16Å; L115-L120 PolarHBondContact O-N 2.89Å; H116-L120 PolarHBondContact CD2-O 2.94Å; K118-L120 HydrophobicContact CB-CD1 4.09Å; K118-L120 HydrophobicContact CB-CG 4.21Å; K118-L120 PolarHBondContact O-N 2.95Å | ||
| 121 | L | 98.8 | Very high | 98.3 | Very high | 52 Ų | 52 | 29.5 Ų | 29.5 | 27% | 0.272 | 16% | 0.16 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.7 | 136.1 | -178.2 | -62.7 | 171 | 0 | 0 | 0 | 109.8 | K77 Y78 V79 D156 | K77-L121 HydrophobicContact CB-CD1 4.3Å; K77-L121 PolarHBondContact O-N 3.08Å; Y78-L121 CarbonylContact C-O 3.51Å; Y78-L121 WeakPolarHBondContact CA-O 3.32Å; Y78-L121 HydrophobicContact CD1-CB 3.61Å; Y78-L121 HydrophobicContact CD1-CD1 4.12Å; Y78-L121 HydrophobicContact CD2-CD1 4.46Å; Y78-L121 HydrophobicContact CE1-CB 3.74Å; Y78-L121 HydrophobicContact CE1-CD1 3.59Å; Y78-L121 HydrophobicContact CE1-CG 4.3Å; Y78-L121 HydrophobicContact CE2-CD1 3.97Å; Y78-L121 HydrophobicContact CG-CB 4.27Å; Y78-L121 VanDerWaalsContact CZ-CD1 3.49Å; V79-L121 PolarHBondContact N-O 2.93Å; L121-D156 WeakPolarHBondContact CA-OD2 3.44Å; L121-D156 HydrophobicContact CB-CB 4Å; L121-D156 WeakPolarHBondContact CB-OD2 3.48Å; L121-D156 HydrophobicContact CD2-CB 4.31Å; L121-D156 WeakPolarHBondContact CD2-OD2 3.3Å |
| 122 | F | 98.9 | Very high | 98.2 | Very high | 0 Ų | 0 | 29.5 Ų | 29.5 | 0% | 0 | 16% | 0.16 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.2 | 123.8 | -175.2 | 179.4 | -140.1 | 0 | 0 | 0 | 112.2 | I81 M108 A112 L115 I124 V155 D156 Y157 | I81-F122 HydrophobicContact CD1-CE2 3.66Å; I81-F122 HydrophobicContact CD1-CZ 4.23Å; I81-F122 HydrophobicContact CG1-CE2 4.01Å; M108-F122 HydrophobicContact CB-CE1 4.36Å; M108-F122 HydrophobicContact SD-CZ 4Å; A112-F122 HydrophobicContact CB-CB 4.1Å; A112-F122 HydrophobicContact CB-CD1 3.47Å; A112-F122 VanDerWaalsContact CB-CD1 3.47Å; A112-F122 HydrophobicContact CB-CE1 4.17Å; A112-F122 HydrophobicContact CB-CG 4.03Å; L115-F122 HydrophobicContact CD1-CB 3.8Å; L115-F122 HydrophobicContact CD1-CD2 3.56Å; L115-F122 HydrophobicContact CD1-CE2 4.49Å; L115-F122 HydrophobicContact CD1-CG 3.96Å; F122-I124 HydrophobicContact CE1-CD1 4.39Å; F122-I124 HydrophobicContact CZ-CB 4.21Å; F122-I124 HydrophobicContact CZ-CD1 3.78Å; F122-V155 HydrophobicContact CD1-CB 4.38Å; F122-V155 HydrophobicContact CD1-CG2 3.71Å; F122-V155 HydrophobicContact CE1-CG2 3.63Å; F122-D156 PolarHBondContact N-OD2 3.36Å; F122-D156 WeakPolarHBondContact O-CA 3.46Å; F122-D156 WeakPolarHBondContact O-CB 3.49Å; F122-D156 PolarHBondContact O-N 3.47Å; F122-Y157 PolarHBondContact O-N 3.01Å |
| 123 | G | 98.9 | Very high | 98.1 | Very high | 0 Ų | 0 | 32.2 Ų | 32.2 | 0% | 0 | 18% | 0.178 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.3 | 150.3 | 172.4 | 0 | 0 | 0 | 0 | 0 | 113.6 | V79 I80 I81 Y157 | V79-G123 PolarHBondContact O-N 2.83Å; I80-G123 CarbonylContact C-O 3.55Å; I80-G123 WeakPolarHBondContact CA-O 3.42Å; I81-G123 PolarHBondContact N-O 3.22Å; G123-Y157 CarbonylContact C-O 3.58Å; G123-Y157 WeakPolarHBondContact CA-O 3.23Å |
| 124 | I | 98.7 | Very high | 98 | Very high | 0 Ų | 0 | 29.9 Ų | 29.9 | 0% | 0 | 17% | 0.173 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -147.5 | 147 | -179.8 | -164 | 153.9 | 0 | 0 | 0 | 111.8 | I81 W85 M108 F122 L150 W153 V155 Y157 V158 K159 | I81-I124 CarbonylContact O-C 3.4Å; I81-I124 WeakPolarHBondContact O-CA 3.48Å; W85-I124 HydrophobicContact CD2-CD1 3.76Å; W85-I124 HydrophobicContact CD2-CG1 4.17Å; W85-I124 VanDerWaalsContact CE2-CD1 3.47Å; W85-I124 HydrophobicContact CE3-CD1 4.06Å; W85-I124 HydrophobicContact CG-CD1 4.41Å; W85-I124 HydrophobicContact CG-CG1 4.48Å; W85-I124 HydrophobicContact CH2-CD1 3.9Å; W85-I124 HydrophobicContact CZ2-CD1 3.55Å; W85-I124 HydrophobicContact CZ2-CG1 3.85Å; W85-I124 HydrophobicContact CZ3-CD1 4.12Å; M108-I124 HydrophobicContact CG-CD1 4.23Å; M108-I124 HydrophobicContact SD-CD1 3.94Å; F122-I124 HydrophobicContact CE1-CD1 4.39Å; F122-I124 HydrophobicContact CZ-CB 4.21Å; F122-I124 HydrophobicContact CZ-CD1 3.78Å; I124-L150 HydrophobicContact CG2-CD2 3.43Å; I124-L150 VanDerWaalsContact CG2-CD2 3.43Å; I124-W153 HydrophobicContact CD1-CZ3 4.47Å; I124-V155 HydrophobicContact CG2-CB 4.48Å; I124-V155 HydrophobicContact CG2-CG1 3.72Å; I124-V155 HydrophobicContact CG2-CG2 3.88Å; I124-Y157 PolarHBondContact N-O 3.08Å; I124-V158 WeakPolarHBondContact O-CA 3.41Å; I124-K159 PolarHBondContact O-N 3.4Å |
| 125 | T | 98.6 | Very high | 97.9 | Very high | 2 Ų | 2 | 29.6 Ų | 29.6 | 1% | 0.012 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.6 | 134.5 | 175.6 | -63.8 | 0 | 0 | 0 | 0 | 111.1 | I81 D82 W85 K159 N161 | I81-T125 PolarHBondContact O-N 2.99Å; D82-T125 WeakPolarHBondContact CA-OG1 3.44Å; D82-T125 PolarHBondContact OD2-OG1 3.02Å; W85-T125 PolarHBondContact NE1-O 2.92Å; T125-K159 CarbonylContact C-O 3.5Å; T125-K159 VanDerWaalsContact CA-O 3.23Å; T125-K159 WeakPolarHBondContact CA-O 3.46Å; T125-K159 HydrophobicContact CG2-CB 4.39Å; T125-K159 HydrophobicContact CG2-CD 4.29Å; T125-K159 HydrophobicContact CG2-CG 4.12Å; T125-K159 WeakPolarHBondContact OG1-CB 3.45Å; T125-K159 WeakPolarHBondContact OG1-CD 3.25Å; T125-N161 VanDerWaalsContact CG2-ND2 3.31Å; T125-N161 WeakPolarHBondContact CG2-ND2 3.32Å |
| 126 | I | 98.2 | Very high | 97.9 | Very high | 1 Ų | 1 | 29.9 Ų | 29.9 | 1% | 0.005 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.3 | 167 | 168.5 | 54.6 | 162.6 | 0 | 0 | 0 | 110.1 | W85 L97 L150 V158 K159 M160 N161 F177 | W85-I126 HydrophobicContact CZ2-CG2 4.13Å; L97-I126 HydrophobicContact CD1-CG2 3.83Å; I126-L150 HydrophobicContact CD1-CD1 3.97Å; I126-V158 HydrophobicContact CD1-CG1 4.19Å; I126-V158 HydrophobicContact CG1-CG1 3.92Å; I126-K159 PolarHBondContact N-O 3.03Å; I126-M160 HydrophobicContact CB-SD 4.49Å; I126-M160 HydrophobicContact CD1-CE 3.29Å; I126-M160 HydrophobicContact CD1-SD 3.7Å; I126-M160 HydrophobicContact CG1-CE 3.85Å; I126-M160 HydrophobicContact CG1-SD 3.63Å; I126-M160 CarbonylContact O-C 3.57Å; I126-M160 WeakPolarHBondContact O-CA 3.43Å; I126-N161 PolarHBondContact O-N 3.43Å; I126-F177 HydrophobicContact CD1-CE1 4.01Å; I126-F177 HydrophobicContact CD1-CE2 4.15Å; I126-F177 HydrophobicContact CD1-CZ 3.51Å |
| 127 | G | 97.3 | Very high | 97.8 | Very high | 1 Ų | 1 | 28.9 Ų | 28.9 | 1% | 0.01 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.4 | 131.5 | 178.2 | 0 | 0 | 0 | 0 | 0 | 111.7 | G129 S139 | G127-G129 VanDerWaalsContact C-N 3.32Å; G127-S139 WeakPolarHBondContact O-CB 3.01Å; G127-S139 PolarHBondContact O-N 3.21Å; G127-S139 PolarHBondContact O-OG 3.42Å |
| 128 | Y | 97.9 | Very high | 97.8 | Very high | 11 Ų | 11 | 24.8 Ų | 24.8 | 4% | 0.043 | 16% | 0.158 | C | C | . | . | S | Bend | trans | -67.3 | -36.7 | 174.2 | 171.7 | -114.4 | 0 | 0 | 0 | 111.2 | M140 L143 M160 N161 S165 M169 M170 G173 F174 | Y128-M140 HydrophobicContact CE1-CE 4.4Å; Y128-M140 HydrophobicContact CE1-CG 4.38Å; Y128-M140 HydrophobicContact CE2-CG 3.99Å; Y128-M140 WeakPolarHBondContact O-CA 3.12Å; Y128-M140 WeakPolarHBondContact O-CB 3.46Å; Y128-M140 PolarHBondContact O-N 3.09Å; Y128-L143 HydrophobicContact CD2-CD2 4.16Å; Y128-L143 HydrophobicContact CE2-CD1 4.28Å; Y128-L143 HydrophobicContact CE2-CD2 4.43Å; Y128-M160 WeakPolarHBondContact CA-SD 3.47Å; Y128-M160 PolarHBondContact N-SD 3.37Å; Y128-N161 WeakPolarHBondContact CB-O 3.46Å; Y128-N161 PolarHBondContact N-O 3.08Å; Y128-S165 VanDerWaalsContact CD1-OG 3.25Å; Y128-S165 WeakPolarHBondContact CD1-OG 3.25Å; Y128-M169 WeakPolarHBondContact OH-CB 3.13Å; Y128-M169 PolarHBondContact OH-O 3.04Å; Y128-M170 HydrophobicContact CD1-CB 4.46Å; Y128-M170 HydrophobicContact CD1-CG 4.04Å; Y128-M170 HydrophobicContact CE1-CB 4.26Å; Y128-M170 HydrophobicContact CE1-CG 3.94Å; Y128-G173 VanDerWaalsContact CE2-CA 3.47Å; Y128-F174 HydrophobicContact CD1-CD2 4.32Å; Y128-F174 AromaticContact CD1-CE2 3.84Å; Y128-F174 HydrophobicContact CD1-CE2 3.84Å; Y128-F174 HydrophobicContact CD2-CD2 4.37Å; Y128-F174 HydrophobicContact CD2-CE2 4.3Å; Y128-F174 HydrophobicContact CG-CD2 4.09Å; Y128-F174 AromaticContact CG-CE2 3.62Å; Y128-F174 HydrophobicContact CG-CE2 3.62Å |
| 129 | G | 96.6 | Very high | 97.8 | Very high | 0 Ų | 0 | 22.8 Ų | 22.8 | 0% | 0 | 15% | 0.15 | C | C | . | . | S | Bend | trans | -62.7 | -169.1 | -175.3 | 0 | 0 | 0 | 0 | 0 | 115.7 | G127 G131 G138 S139 M140 C163 N164 S165 | G127-G129 VanDerWaalsContact C-N 3.32Å; G129-G131 PolarHBondContact O-N 2.9Å; G129-G138 CarbonylContact O-C 3.41Å; G129-G138 WeakPolarHBondContact O-CA 3.28Å; G129-S139 PolarHBondContact O-N 3.16Å; G129-S139 VanDerWaalsContact O-N 3.14Å; G129-M140 VanDerWaalsContact CA-CE 3.47Å; G129-M140 PolarHBondContact O-N 3.45Å; G129-C163 WeakPolarHBondContact CA-O 3.45Å; G129-N164 WeakPolarHBondContact CA-O 3.43Å; G129-S165 WeakPolarHBondContact CA-OG 3.4Å; G129-S165 PolarHBondContact N-OG 3.03Å; G129-S165 VanDerWaalsContact N-OG 3.08Å |
| 130 | T | 96.5 | Very high | 97.6 | Very high | 104 Ų | 104 | 18.5 Ų | 18.5 | 64% | 0.638 | 13% | 0.126 | S | C | * | . | S | Bend | trans | -68.4 | -21.9 | 167.4 | 55 | 0 | 0 | 0 | 0 | 112 | G138 M140 N164 | T130-G138 PolarHBondContact O-N 2.88Å; T130-G138 VanDerWaalsContact O-N 3.12Å; T130-M140 HydrophobicContact CG2-CE 4.36Å; T130-N164 PolarHBondContact N-O 3.25Å; T130-N164 VanDerWaalsContact N-O 3.07Å |
| 131 | G | 96.6 | Very high | 97.5 | Very high | 9 Ų | 9 | 24.9 Ų | 24.9 | 9% | 0.093 | 16% | 0.16 | C | C | . | . | B | Isolated β-bridge | trans | -150.3 | 159.8 | 172.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | G129 Y136 N164 | G129-G131 PolarHBondContact O-N 2.9Å; G131-Y136 CarbonylContact C-O 3.56Å; G131-Y136 WeakPolarHBondContact CA-O 3.2Å; G131-N164 PolarHBondContact O-ND2 2.89Å |
| 132 | T | 97.4 | Very high | 97.5 | Very high | 0 Ų | 0 | 25.4 Ų | 25.4 | 0% | 0 | 16% | 0.16 | C | C | . | . | trans | -65.7 | 171.7 | 168.6 | 76.1 | 0 | 0 | 0 | 0 | 111 | D83 L86 A134 G135 Y136 N164 | D83-T132 VanDerWaalsContact CG-OG1 3.26Å; D83-T132 WeakPolarHBondContact OD1-CB 3.34Å; D83-T132 PolarHBondContact OD1-OG1 3.48Å; D83-T132 VanDerWaalsContact OD2-CB 3.25Å; D83-T132 WeakPolarHBondContact OD2-CB 3.3Å; D83-T132 PolarHBondContact OD2-OG1 3.37Å; L86-T132 HydrophobicContact CD1-CG2 3.93Å; T132-A134 PolarHBondContact O-N 3.29Å; T132-A134 PolarHBondContact OG1-N 2.8Å; T132-G135 PolarHBondContact O-N 3.46Å; T132-Y136 PolarHBondContact N-O 3.41Å; T132-Y136 WeakPolarHBondContact OG1-CB 3.2Å; T132-Y136 PolarHBondContact OG1-N 2.81Å; T132-Y136 VanDerWaalsContact OG1-N 3.1Å; T132-N164 PolarHBondContact O-ND2 2.96Å | ||
| 133 | C | 96.2 | Very high | 97.4 | Very high | 57 Ų | 57 | 25.6 Ų | 25.6 | 39% | 0.385 | 16% | 0.162 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -61.6 | -31.8 | 178.9 | -58 | 0 | 0 | 0 | 0 | 112.2 | D83 G135 C163 | D83-C133 PolarHBondContact OD2-N 2.86Å; C133-G135 VanDerWaalsContact C-N 3.32Å; C133-C163 WeakPolarHBondContact CA-SG 3.44Å; C133-C163 HydrophobicContact CB-CB 3.85Å; C133-C163 WeakPolarHBondContact CB-SG 3.37Å; C133-C163 WeakPolarHBondContact SG-CB 3.48Å; C133-C163 CovalentContact SG-SG 2.04Å; C133-C163 PolarHBondContact SG-SG 2.84Å |
| 134 | A | 96.6 | Very high | 97.4 | Very high | 34 Ų | 34 | 30.6 Ų | 30.6 | 28% | 0.281 | 19% | 0.185 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -87.9 | 9.4 | 174.4 | 0 | 0 | 0 | 0 | 0 | 114.6 | D83 C84 T132 Y136 | D83-A134 WeakPolarHBondContact OD2-CB 3.42Å; D83-A134 PolarHBondContact OD2-N 3.06Å; C84-A134 WeakPolarHBondContact SG-CB 3.15Å; T132-A134 PolarHBondContact O-N 3.29Å; T132-A134 PolarHBondContact OG1-N 2.8Å; A134-Y136 HydrophobicContact CB-CD2 3.9Å; A134-Y136 HydrophobicContact CB-CE2 3.99Å |
| 135 | G | 96.9 | Very high | 97.4 | Very high | 51 Ų | 51 | 33.3 Ų | 33.3 | 53% | 0.526 | 20% | 0.199 | S | C | . | . | S | Bend | trans | 76.2 | 27 | 175.4 | 0 | 0 | 0 | 0 | 0 | 114.8 | T132 C133 | T132-G135 PolarHBondContact O-N 3.46Å; C133-G135 VanDerWaalsContact C-N 3.32Å |
| 136 | Y | 98 | Very high | 97.4 | Very high | 7 Ų | 7 | 33.2 Ų | 33.2 | 3% | 0.027 | 20% | 0.199 | C | C | . | . | trans | -86.6 | 164.7 | 168.1 | -69.9 | -94.1 | 0 | 0 | 0 | 110.6 | C84 L86 G131 T132 A134 G138 | C84-Y136 HydrophobicContact CB-CD2 4.42Å; C84-Y136 HydrophobicContact CB-CE2 3.68Å; L86-Y136 HydrophobicContact CB-CD1 3.64Å; L86-Y136 HydrophobicContact CB-CE1 4.5Å; L86-Y136 HydrophobicContact CB-CG 4.03Å; L86-Y136 VanDerWaalsContact O-CD1 3.28Å; L86-Y136 WeakPolarHBondContact O-CD1 3.38Å; L86-Y136 WeakPolarHBondContact O-CE1 3.26Å; G131-Y136 CarbonylContact C-O 3.56Å; G131-Y136 WeakPolarHBondContact CA-O 3.2Å; T132-Y136 PolarHBondContact N-O 3.41Å; T132-Y136 WeakPolarHBondContact OG1-CB 3.2Å; T132-Y136 PolarHBondContact OG1-N 2.81Å; T132-Y136 VanDerWaalsContact OG1-N 3.1Å; A134-Y136 HydrophobicContact CB-CD2 3.9Å; A134-Y136 HydrophobicContact CB-CE2 3.99Å; Y136-G138 PolarHBondContact O-N 2.77Å | ||
| 137 | P | 98.2 | Very high | 97.4 | Very high | 23 Ų | 23 | 33.2 Ų | 33.2 | 15% | 0.149 | 20% | 0.199 | C | C | . | . | B | Isolated β-bridge | trans | -53.1 | 130.9 | -177.5 | -28.4 | 36.1 | 0 | 0 | 0 | 113.5 | S87 R90 L97 | S87-P137 VanDerWaalsContact O-CD 3.31Å; S87-P137 WeakPolarHBondContact O-CD 3.36Å; R90-P137 HydrophobicContact CG-CB 3.98Å; R90-P137 HydrophobicContact CG-CG 4.4Å; L97-P137 HydrophobicContact CD2-CB 4.24Å |
| 138 | G | 97.8 | Very high | 97.5 | Very high | 5 Ų | 5 | 38 Ų | 38 | 5% | 0.052 | 22% | 0.219 | C | C | . | . | trans | -96.5 | 175.1 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.9 | R90 G129 T130 Y136 | R90-G138 PolarHBondContact NH2-O 2.86Å; G129-G138 CarbonylContact O-C 3.41Å; G129-G138 WeakPolarHBondContact O-CA 3.28Å; T130-G138 PolarHBondContact O-N 2.88Å; T130-G138 VanDerWaalsContact O-N 3.12Å; Y136-G138 PolarHBondContact O-N 2.77Å | ||
| 139 | S | 98.2 | Very high | 97.5 | Very high | 0 Ų | 0 | 37.8 Ų | 37.8 | 0% | 0 | 22% | 0.219 | C | C | . | . | trans | -113.6 | -2.7 | -161.9 | -40.7 | 0 | 0 | 0 | 0 | 114.3 | G127 G129 D141 F142 L143 D146 | G127-S139 WeakPolarHBondContact O-CB 3.01Å; G127-S139 PolarHBondContact O-N 3.21Å; G127-S139 PolarHBondContact O-OG 3.42Å; G129-S139 PolarHBondContact O-N 3.16Å; G129-S139 VanDerWaalsContact O-N 3.14Å; S139-D141 VanDerWaalsContact C-N 3.27Å; S139-D141 PolarHBondContact O-N 3.1Å; S139-D141 VanDerWaalsContact O-N 3.13Å; S139-F142 CarbonylContact O-C 3.56Å; S139-F142 WeakPolarHBondContact O-CA 3.44Å; S139-F142 PolarHBondContact O-N 2.96Å; S139-L143 VanDerWaalsContact O-CD2 3.3Å; S139-L143 WeakPolarHBondContact O-CD2 3.36Å; S139-L143 WeakPolarHBondContact O-CG 3.25Å; S139-L143 PolarHBondContact O-N 3.41Å; S139-D146 WeakPolarHBondContact CA-OD2 3.15Å; S139-D146 WeakPolarHBondContact CB-OD2 3.1Å; S139-D146 PolarHBondContact OG-OD2 3.21Å | ||
| 140 | M | 95.5 | Very high | 97.6 | Very high | 31 Ų | 31 | 37.8 Ų | 37.8 | 15% | 0.153 | 22% | 0.219 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -51.8 | -43.9 | -169 | -153.6 | -179.9 | -54.7 | 0 | 0 | 113.6 | Y128 G129 T130 P166 M169 | Y128-M140 HydrophobicContact CE1-CE 4.4Å; Y128-M140 HydrophobicContact CE1-CG 4.38Å; Y128-M140 HydrophobicContact CE2-CG 3.99Å; Y128-M140 WeakPolarHBondContact O-CA 3.12Å; Y128-M140 WeakPolarHBondContact O-CB 3.46Å; Y128-M140 PolarHBondContact O-N 3.09Å; G129-M140 VanDerWaalsContact CA-CE 3.47Å; G129-M140 PolarHBondContact O-N 3.45Å; T130-M140 HydrophobicContact CG2-CE 4.36Å; M140-P166 HydrophobicContact CE-CG 4.48Å; M140-P166 HydrophobicContact SD-CG 4.4Å; M140-M169 HydrophobicContact SD-SD 4.28Å |
| 141 | D | 95.9 | Very high | 97.7 | Very high | 134 Ų | 134 | 33.8 Ų | 33.8 | 72% | 0.717 | 20% | 0.197 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -92.5 | -2.3 | -179.3 | -58.6 | -47.7 | 0 | 0 | 0 | 113.3 | S139 | S139-D141 VanDerWaalsContact C-N 3.27Å; S139-D141 PolarHBondContact O-N 3.1Å; S139-D141 VanDerWaalsContact O-N 3.13Å |
| 142 | F | 98 | Very high | 97.8 | Very high | 63 Ų | 63 | 39.5 Ų | 39.5 | 28% | 0.276 | 22% | 0.221 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -126.1 | 12.6 | -170.9 | -56.4 | -76.6 | 0 | 0 | 0 | 113.4 | V95 S139 E144 L145 D146 | V95-F142 HydrophobicContact CB-CD1 4.47Å; V95-F142 HydrophobicContact CB-CE1 4.04Å; V95-F142 HydrophobicContact CG1-CE1 3.7Å; V95-F142 HydrophobicContact CG1-CZ 4.08Å; S139-F142 CarbonylContact O-C 3.56Å; S139-F142 WeakPolarHBondContact O-CA 3.44Å; S139-F142 PolarHBondContact O-N 2.96Å; F142-E144 VanDerWaalsContact C-N 3.3Å; F142-E144 PolarHBondContact O-N 3.14Å; F142-E144 VanDerWaalsContact O-N 3.11Å; F142-L145 HydrophobicContact CD1-CD2 4.4Å; F142-L145 WeakPolarHBondContact O-CB 3.26Å; F142-L145 PolarHBondContact O-N 3.5Å; F142-D146 PolarHBondContact O-N 2.81Å |
| 143 | L | 98.3 | Very high | 97.9 | Very high | 5 Ų | 5 | 41.1 Ų | 41.1 | 3% | 0.026 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -49.6 | -43.4 | -172.1 | -65.5 | 178 | 0 | 0 | 0 | 114.4 | Y128 S139 A147 M160 K176 F177 L180 | Y128-L143 HydrophobicContact CD2-CD2 4.16Å; Y128-L143 HydrophobicContact CE2-CD1 4.28Å; Y128-L143 HydrophobicContact CE2-CD2 4.43Å; S139-L143 VanDerWaalsContact O-CD2 3.3Å; S139-L143 WeakPolarHBondContact O-CD2 3.36Å; S139-L143 WeakPolarHBondContact O-CG 3.25Å; S139-L143 PolarHBondContact O-N 3.41Å; L143-A147 VanDerWaalsContact O-CB 3.31Å; L143-A147 WeakPolarHBondContact O-CB 3.49Å; L143-A147 PolarHBondContact O-N 2.92Å; L143-M160 HydrophobicContact CD2-CE 4.29Å; L143-K176 HydrophobicContact CD1-CD 3.99Å; L143-K176 HydrophobicContact CD1-CG 4.31Å; L143-F177 HydrophobicContact CB-CD2 4.05Å; L143-F177 HydrophobicContact CD2-CB 4.26Å; L143-F177 HydrophobicContact CD2-CD2 3.78Å; L143-F177 HydrophobicContact CD2-CG 4.26Å; L143-F177 HydrophobicContact CG-CD2 4.46Å; L143-F177 WeakPolarHBondContact O-CE2 3.25Å; L143-L180 HydrophobicContact CB-CD1 3.67Å |
| 144 | E | 98.5 | Very high | 98 | Very high | 104 Ų | 104 | 40.7 Ų | 40.7 | 49% | 0.486 | 22% | 0.219 | S | C | . | . | H | α-helix | trans | -70.6 | -42 | -179.9 | 178 | 174.7 | 176 | 0 | 0 | 112 | F142 K148 L180 | F142-E144 VanDerWaalsContact C-N 3.3Å; F142-E144 PolarHBondContact O-N 3.14Å; F142-E144 VanDerWaalsContact O-N 3.11Å; E144-K148 HydrophobicContact CG-CD 4.44Å; E144-K148 WeakPolarHBondContact O-CG 3.45Å; E144-K148 PolarHBondContact O-N 3.02Å; E144-K148 VanDerWaalsContact O-N 3.14Å; E144-K148 WeakPolarHBondContact OE1-CE 3.27Å; E144-K148 IonicContact OE1-NZ 3.56Å; E144-K148 PolarHBondContact OE1-NZ 2.95Å; E144-L180 HydrophobicContact CB-CD1 4.1Å; E144-L180 HydrophobicContact CB-CD2 3.8Å; E144-L180 HydrophobicContact CG-CD2 3.88Å |
| 145 | L | 98.6 | Very high | 98.1 | Very high | 58 Ų | 58 | 39.1 Ų | 39.1 | 30% | 0.304 | 21% | 0.206 | S | C | . | . | H | α-helix | trans | -63.7 | -44.6 | 176.7 | 176.6 | 61.7 | 0 | 0 | 0 | 110.8 | T94 V95 F142 K148 T149 | T94-L145 WeakPolarHBondContact O-CD2 3.32Å; V95-L145 HydrophobicContact CB-CD2 4.3Å; F142-L145 HydrophobicContact CD1-CD2 4.4Å; F142-L145 WeakPolarHBondContact O-CB 3.26Å; F142-L145 PolarHBondContact O-N 3.5Å; L145-K148 PolarHBondContact O-N 2.81Å; L145-T149 WeakPolarHBondContact O-CB 3.27Å; L145-T149 PolarHBondContact O-N 2.95Å; L145-T149 PolarHBondContact O-OG1 3.45Å |
| 146 | D | 98.7 | Very high | 98.2 | Very high | 0 Ų | 0 | 37.5 Ų | 37.5 | 0% | 0 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -69.4 | -38.9 | -178.2 | -65.4 | -16.5 | 0 | 0 | 0 | 111 | R90 L97 S139 F142 K148 T149 L150 | R90-D146 IonicContact CZ-OD1 3.02Å; R90-D146 IonicContact CZ-OD2 3.56Å; R90-D146 IonicContact NH1-OD1 3.78Å; R90-D146 PolarHBondContact NH1-OD1 3.08Å; R90-D146 IonicContact NH1-OD2 2.78Å; R90-D146 IonicContact NH2-OD1 2.95Å; R90-D146 PolarHBondContact NH2-OD1 3.24Å; R90-D146 IonicContact NH2-OD2 3.4Å; R90-D146 PolarHBondContact NH2-OD2 2.87Å; L97-D146 HydrophobicContact CD1-CB 4.25Å; S139-D146 WeakPolarHBondContact CA-OD2 3.15Å; S139-D146 WeakPolarHBondContact CB-OD2 3.1Å; S139-D146 PolarHBondContact OG-OD2 3.21Å; F142-D146 PolarHBondContact O-N 2.81Å; D146-K148 VanDerWaalsContact C-N 3.34Å; D146-K148 PolarHBondContact O-N 3.31Å; D146-T149 PolarHBondContact O-N 2.72Å; D146-L150 WeakPolarHBondContact O-CB 3.46Å; D146-L150 WeakPolarHBondContact O-CD1 3.5Å; D146-L150 WeakPolarHBondContact O-CG 3.32Å; D146-L150 PolarHBondContact O-N 3.03Å |
| 147 | A | 98.7 | Very high | 98.2 | Very high | 1 Ų | 1 | 37.3 Ų | 37.3 | 1% | 0.008 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -58.8 | -44.4 | 172.6 | 0 | 0 | 0 | 0 | 0 | 112 | L143 A151 F177 L180 L181 T184 | L143-A147 VanDerWaalsContact O-CB 3.31Å; L143-A147 WeakPolarHBondContact O-CB 3.49Å; L143-A147 PolarHBondContact O-N 2.92Å; A147-A151 PolarHBondContact O-N 3.42Å; A147-A151 VanDerWaalsContact O-N 3.13Å; A147-F177 HydrophobicContact CB-CD2 4.46Å; A147-F177 HydrophobicContact CB-CE2 3.88Å; A147-F177 HydrophobicContact CB-CZ 4.49Å; A147-L180 HydrophobicContact CB-CB 3.85Å; A147-L181 HydrophobicContact CB-CD2 4.26Å; A147-T184 HydrophobicContact CB-CG2 4.28Å; A147-T184 WeakPolarHBondContact O-CG2 3.45Å |
| 148 | K | 98.6 | Very high | 98.3 | Very high | 100 Ų | 100 | 36.2 Ų | 36.2 | 44% | 0.435 | 18% | 0.178 | S | C | . | . | H | α-helix | trans | -64.4 | -45.5 | 175.6 | -70.4 | 173.6 | -172.3 | 170.9 | 0 | 111.8 | E144 L145 D146 L150 A151 E152 | E144-K148 HydrophobicContact CG-CD 4.44Å; E144-K148 WeakPolarHBondContact O-CG 3.45Å; E144-K148 PolarHBondContact O-N 3.02Å; E144-K148 VanDerWaalsContact O-N 3.14Å; E144-K148 WeakPolarHBondContact OE1-CE 3.27Å; E144-K148 IonicContact OE1-NZ 3.56Å; E144-K148 PolarHBondContact OE1-NZ 2.95Å; L145-K148 PolarHBondContact O-N 2.81Å; D146-K148 VanDerWaalsContact C-N 3.34Å; D146-K148 PolarHBondContact O-N 3.31Å; K148-L150 VanDerWaalsContact C-N 3.32Å; K148-L150 PolarHBondContact O-N 3.21Å; K148-A151 PolarHBondContact O-N 3.26Å; K148-E152 WeakPolarHBondContact O-CB 3.36Å; K148-E152 WeakPolarHBondContact O-CG 3.43Å; K148-E152 PolarHBondContact O-N 3.42Å |
| 149 | T | 98.6 | Very high | 98.3 | Very high | 8 Ų | 8 | 36.4 Ų | 36.4 | 5% | 0.049 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -57.2 | -45.3 | 178.2 | -57.5 | 0 | 0 | 0 | 0 | 111.4 | L145 D146 E152 W153 | L145-T149 WeakPolarHBondContact O-CB 3.27Å; L145-T149 PolarHBondContact O-N 2.95Å; L145-T149 PolarHBondContact O-OG1 3.45Å; D146-T149 PolarHBondContact O-N 2.72Å; T149-E152 PolarHBondContact O-N 3.32Å; T149-W153 HydrophobicContact CG2-CD2 4Å; T149-W153 HydrophobicContact CG2-CE3 4.23Å; T149-W153 HydrophobicContact CG2-CH2 3.72Å; T149-W153 HydrophobicContact CG2-CZ2 3.45Å; T149-W153 VanDerWaalsContact CG2-CZ2 3.45Å; T149-W153 HydrophobicContact CG2-CZ3 4.09Å; T149-W153 PolarHBondContact O-N 2.89Å |
| 150 | L | 98.8 | Very high | 98.3 | Very high | 0 Ų | 0 | 36.4 Ų | 36.4 | 0% | 0 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -64.1 | -42.1 | 178.1 | -67.9 | 168.3 | 0 | 0 | 0 | 112.2 | I124 I126 D146 K148 W153 E154 V155 V158 F177 M188 | I124-L150 HydrophobicContact CG2-CD2 3.43Å; I124-L150 VanDerWaalsContact CG2-CD2 3.43Å; I126-L150 HydrophobicContact CD1-CD1 3.97Å; D146-L150 WeakPolarHBondContact O-CB 3.46Å; D146-L150 WeakPolarHBondContact O-CD1 3.5Å; D146-L150 WeakPolarHBondContact O-CG 3.32Å; D146-L150 PolarHBondContact O-N 3.03Å; K148-L150 VanDerWaalsContact C-N 3.32Å; K148-L150 PolarHBondContact O-N 3.21Å; L150-W153 HydrophobicContact CD2-CE3 4.41Å; L150-W153 PolarHBondContact O-N 3.46Å; L150-E154 PolarHBondContact O-N 3.22Å; L150-V155 HydrophobicContact CB-CB 4.27Å; L150-V155 HydrophobicContact CB-CG2 4.22Å; L150-V155 HydrophobicContact CD2-CG2 3.91Å; L150-V155 WeakPolarHBondContact O-CB 3.4Å; L150-V155 WeakPolarHBondContact O-CG2 3.35Å; L150-V155 PolarHBondContact O-N 2.94Å; L150-V158 HydrophobicContact CD1-CG1 4.17Å; L150-V158 HydrophobicContact CD1-CG2 3.98Å; L150-F177 HydrophobicContact CD1-CZ 3.89Å; L150-M188 HydrophobicContact CB-SD 4.32Å |
| 151 | A | 98.7 | Very high | 98.3 | Very high | 20 Ų | 20 | 35.6 Ų | 35.6 | 17% | 0.165 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -65.7 | -39.5 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | A147 K148 W153 E154 T184 R186 M188 | A147-A151 PolarHBondContact O-N 3.42Å; A147-A151 VanDerWaalsContact O-N 3.13Å; K148-A151 PolarHBondContact O-N 3.26Å; A151-W153 VanDerWaalsContact C-N 3.3Å; A151-W153 PolarHBondContact O-N 2.87Å; A151-E154 WeakPolarHBondContact O-CA 3.48Å; A151-E154 PolarHBondContact O-N 2.89Å; A151-T184 HydrophobicContact CB-CG2 3.69Å; A151-R186 HydrophobicContact CB-CB 4.24Å; A151-M188 HydrophobicContact CB-CE 4.12Å |
| 152 | E | 98.4 | Very high | 98.2 | Very high | 128 Ų | 128 | 29.3 Ų | 29.3 | 60% | 0.598 | 14% | 0.14 | S | C | * | . | H | α-helix | trans | -64.6 | -32.5 | 176 | -75.9 | 175.3 | -170.1 | 0 | 0 | 113.2 | K109 K148 T149 E154 | K109-E152 WeakPolarHBondContact CD-O 3.19Å; K148-E152 WeakPolarHBondContact O-CB 3.36Å; K148-E152 WeakPolarHBondContact O-CG 3.43Å; K148-E152 PolarHBondContact O-N 3.42Å; T149-E152 PolarHBondContact O-N 3.32Å; E152-E154 PolarHBondContact O-N 3.21Å |
| 153 | W | 98.7 | Very high | 98 | Very high | 35 Ų | 35 | 27.5 Ų | 27.5 | 13% | 0.133 | 14% | 0.135 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -79.2 | -0.5 | 171.5 | -66.5 | -10.3 | 0 | 0 | 0 | 113.8 | W85 L97 M108 K109 A112 I124 T149 L150 A151 V155 | W85-W153 AromaticContact CH2-CH2 3.61Å; W85-W153 HydrophobicContact CH2-CH2 3.61Å; W85-W153 AromaticContact CH2-CZ3 3.37Å; W85-W153 HydrophobicContact CH2-CZ3 3.37Å; W85-W153 HydrophobicContact CZ2-CZ3 4.35Å; W85-W153 AromaticContact CZ3-CH2 3.76Å; W85-W153 HydrophobicContact CZ3-CH2 3.76Å; W85-W153 AromaticContact CZ3-CZ3 3.71Å; W85-W153 HydrophobicContact CZ3-CZ3 3.71Å; L97-W153 HydrophobicContact CB-CH2 4.2Å; L97-W153 WeakPolarHBondContact O-CH2 3.45Å; L97-W153 WeakPolarHBondContact O-CZ2 3.49Å; M108-W153 HydrophobicContact CB-CB 4.32Å; M108-W153 HydrophobicContact CB-CD2 3.55Å; M108-W153 HydrophobicContact CB-CE3 3.52Å; M108-W153 HydrophobicContact CB-CG 3.93Å; M108-W153 HydrophobicContact CB-CZ3 4.03Å; M108-W153 HydrophobicContact CG-CD2 4.2Å; M108-W153 HydrophobicContact CG-CE3 3.77Å; M108-W153 HydrophobicContact CG-CH2 4.16Å; M108-W153 HydrophobicContact CG-CZ3 3.76Å; K109-W153 HydrophobicContact CB-CB 4.46Å; K109-W153 HydrophobicContact CB-CG 4.47Å; A112-W153 WeakPolarHBondContact CB-O 3.34Å; I124-W153 HydrophobicContact CD1-CZ3 4.47Å; T149-W153 HydrophobicContact CG2-CD2 4Å; T149-W153 HydrophobicContact CG2-CE3 4.23Å; T149-W153 HydrophobicContact CG2-CH2 3.72Å; T149-W153 HydrophobicContact CG2-CZ2 3.45Å; T149-W153 VanDerWaalsContact CG2-CZ2 3.45Å; T149-W153 HydrophobicContact CG2-CZ3 4.09Å; T149-W153 PolarHBondContact O-N 2.89Å; L150-W153 HydrophobicContact CD2-CE3 4.41Å; L150-W153 PolarHBondContact O-N 3.46Å; A151-W153 VanDerWaalsContact C-N 3.3Å; A151-W153 PolarHBondContact O-N 2.87Å; W153-V155 HydrophobicContact CB-CG2 4.27Å |
| 154 | E | 98.7 | Very high | 97.9 | Very high | 48 Ų | 48 | 31.7 Ų | 31.7 | 22% | 0.224 | 16% | 0.157 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 62.8 | 39.2 | -179.3 | -51.5 | 174 | -167.2 | 0 | 0 | 113.1 | A112 Q113 H116 L150 A151 E152 R186 | A112-E154 HydrophobicContact CB-CB 4.3Å; Q113-E154 PolarHBondContact NE2-OE1 3.18Å; H116-E154 PolarHBondContact CE1-O 3.41Å; H116-E154 IonicContact CE1-OE2 2.75Å; H116-E154 IonicContact ND1-OE2 3.08Å; H116-E154 PolarHBondContact ND1-OE2 3.14Å; L150-E154 PolarHBondContact O-N 3.22Å; A151-E154 WeakPolarHBondContact O-CA 3.48Å; A151-E154 PolarHBondContact O-N 2.89Å; E152-E154 PolarHBondContact O-N 3.21Å; E154-R186 VanDerWaalsContact C-CZ 3.43Å; E154-R186 VanDerWaalsContact C-NE 3.28Å; E154-R186 VanDerWaalsContact CA-CZ 3.42Å; E154-R186 PolarHBondContact O-NE 3.2Å; E154-R186 PolarHBondContact O-NH2 3.38Å |
| 155 | V | 98.8 | Very high | 97.7 | Very high | 0 Ų | 0 | 27.6 Ų | 27.6 | 0% | 0 | 14% | 0.14 | C | C | . | . | trans | -68.6 | 141.4 | 174.6 | 173.1 | 0 | 0 | 0 | 0 | 111.1 | F122 I124 L150 W153 Y157 V158 R186 M188 | F122-V155 HydrophobicContact CD1-CB 4.38Å; F122-V155 HydrophobicContact CD1-CG2 3.71Å; F122-V155 HydrophobicContact CE1-CG2 3.63Å; I124-V155 HydrophobicContact CG2-CB 4.48Å; I124-V155 HydrophobicContact CG2-CG1 3.72Å; I124-V155 HydrophobicContact CG2-CG2 3.88Å; L150-V155 HydrophobicContact CB-CB 4.27Å; L150-V155 HydrophobicContact CB-CG2 4.22Å; L150-V155 HydrophobicContact CD2-CG2 3.91Å; L150-V155 WeakPolarHBondContact O-CB 3.4Å; L150-V155 WeakPolarHBondContact O-CG2 3.35Å; L150-V155 PolarHBondContact O-N 2.94Å; W153-V155 HydrophobicContact CB-CG2 4.27Å; V155-Y157 VanDerWaalsContact CG1-O 3.24Å; V155-Y157 WeakPolarHBondContact CG1-O 3.48Å; V155-V158 HydrophobicContact CG1-CG2 3.82Å; V155-R186 VanDerWaalsContact O-CD 3.27Å; V155-R186 WeakPolarHBondContact O-CD 3.37Å; V155-R186 PolarHBondContact O-NE 3.22Å; V155-M188 HydrophobicContact CB-SD 4.42Å; V155-M188 WeakPolarHBondContact O-CG 3.31Å | ||
| 156 | D | 98.8 | Very high | 97.4 | Very high | 17 Ų | 17 | 26.9 Ų | 26.9 | 9% | 0.091 | 14% | 0.139 | C | C | . | . | trans | -108.6 | -19.3 | 177.3 | -56.2 | -54.9 | 0 | 0 | 0 | 113.8 | Y78 H116 L121 F122 R186 M188 M189 | Y78-D156 HydrophobicContact CE1-CB 4.3Å; H116-D156 IonicContact CD2-OD2 2.71Å; H116-D156 IonicContact NE2-OD1 3.26Å; H116-D156 IonicContact NE2-OD2 2.89Å; H116-D156 PolarHBondContact NE2-OD2 3.22Å; L121-D156 WeakPolarHBondContact CA-OD2 3.44Å; L121-D156 HydrophobicContact CB-CB 4Å; L121-D156 WeakPolarHBondContact CB-OD2 3.48Å; L121-D156 HydrophobicContact CD2-CB 4.31Å; L121-D156 WeakPolarHBondContact CD2-OD2 3.3Å; F122-D156 PolarHBondContact N-OD2 3.36Å; F122-D156 WeakPolarHBondContact O-CA 3.46Å; F122-D156 WeakPolarHBondContact O-CB 3.49Å; F122-D156 PolarHBondContact O-N 3.47Å; D156-R186 IonicContact OD1-CZ 2.73Å; D156-R186 IonicContact OD1-NE 3.63Å; D156-R186 IonicContact OD1-NH2 3.59Å; D156-R186 PolarHBondContact OD1-NH2 2.94Å; D156-M188 CarbonylContact O-C 3.5Å; D156-M188 WeakPolarHBondContact O-CA 3.43Å; D156-M189 PolarHBondContact O-N 3.2Å | ||
| 157 | Y | 98.8 | Very high | 96.9 | Very high | 3 Ų | 3 | 31.8 Ų | 31.8 | 1% | 0.012 | 17% | 0.165 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.2 | 130.4 | -176.2 | -179.6 | -70.5 | 0 | 0 | 0 | 110.6 | Y78 I80 F122 G123 I124 V155 K159 M189 L191 L218 | Y78-Y157 HydrophobicContact CD1-CD2 4.07Å; Y78-Y157 HydrophobicContact CD1-CG 4.29Å; Y78-Y157 HydrophobicContact CE1-CD2 4.22Å; Y78-Y157 HydrophobicContact CG-CD2 4.49Å; I80-Y157 HydrophobicContact CD1-CD1 4Å; I80-Y157 HydrophobicContact CD1-CD2 4.35Å; I80-Y157 HydrophobicContact CD1-CE1 3.77Å; I80-Y157 HydrophobicContact CD1-CE2 4.14Å; I80-Y157 HydrophobicContact CD1-CG 4.31Å; I80-Y157 HydrophobicContact CG1-CD1 4Å; I80-Y157 HydrophobicContact CG1-CE1 4.22Å; I80-Y157 HydrophobicContact CG1-CG 4.32Å; I80-Y157 HydrophobicContact CG2-CD1 4.15Å; I80-Y157 HydrophobicContact CG2-CE1 4.15Å; F122-Y157 PolarHBondContact O-N 3.01Å; G123-Y157 CarbonylContact C-O 3.58Å; G123-Y157 WeakPolarHBondContact CA-O 3.23Å; I124-Y157 PolarHBondContact N-O 3.08Å; V155-Y157 VanDerWaalsContact CG1-O 3.24Å; V155-Y157 WeakPolarHBondContact CG1-O 3.48Å; Y157-K159 HydrophobicContact CE1-CB 4Å; Y157-M189 CarbonylContact C-O 3.53Å; Y157-M189 WeakPolarHBondContact CA-O 3.45Å; Y157-M189 HydrophobicContact CD2-CB 3.7Å; Y157-M189 HydrophobicContact CD2-CG 3.6Å; Y157-M189 HydrophobicContact CD2-SD 3.51Å; Y157-M189 VanDerWaalsContact CD2-SD 3.51Å; Y157-M189 HydrophobicContact CE2-CB 4.42Å; Y157-M189 HydrophobicContact CE2-CG 3.83Å; Y157-M189 HydrophobicContact CE2-SD 3.55Å; Y157-M189 VanDerWaalsContact CE2-SD 3.55Å; Y157-M189 HydrophobicContact CG-CB 4.24Å; Y157-L191 HydrophobicContact CE1-CB 4.27Å; Y157-L191 WeakPolarHBondContact OH-CB 3.43Å; Y157-L191 WeakPolarHBondContact OH-CD2 3.16Å; Y157-L218 HydrophobicContact CE2-CD1 3.62Å; Y157-L218 VanDerWaalsContact OH-CD1 3.25Å; Y157-L218 WeakPolarHBondContact OH-CD1 3.29Å |
| 158 | V | 98.7 | Very high | 96.6 | Very high | 0 Ų | 0 | 38.7 Ų | 38.7 | 0% | 0 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.1 | 120.5 | 178.1 | -173.3 | 0 | 0 | 0 | 0 | 109.6 | I124 I126 L150 V155 F177 L181 M188 M189 F190 L191 | I124-V158 WeakPolarHBondContact O-CA 3.41Å; I126-V158 HydrophobicContact CD1-CG1 4.19Å; I126-V158 HydrophobicContact CG1-CG1 3.92Å; L150-V158 HydrophobicContact CD1-CG1 4.17Å; L150-V158 HydrophobicContact CD1-CG2 3.98Å; V155-V158 HydrophobicContact CG1-CG2 3.82Å; V158-F177 HydrophobicContact CG1-CE1 3.95Å; V158-F177 HydrophobicContact CG1-CZ 4.42Å; V158-L181 HydrophobicContact CG2-CD2 4.23Å; V158-M188 HydrophobicContact CG2-SD 4.2Å; V158-M189 PolarHBondContact N-O 3.49Å; V158-F190 HydrophobicContact CB-CD2 4.37Å; V158-L191 PolarHBondContact O-N 2.98Å |
| 159 | K | 98.5 | Very high | 96.3 | Very high | 10 Ų | 10 | 37.6 Ų | 37.6 | 4% | 0.043 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.2 | 123.7 | 164.1 | 171.2 | 177.4 | 168.5 | -167.4 | 0 | 108.5 | D82 I124 T125 I126 Y157 N161 L191 T193 | D82-K159 IonicContact OD1-NZ 3.61Å; D82-K159 PolarHBondContact OD1-NZ 2.9Å; D82-K159 IonicContact OD2-NZ 2.71Å; D82-K159 PolarHBondContact OD2-NZ 2.76Å; I124-K159 PolarHBondContact O-N 3.4Å; T125-K159 CarbonylContact C-O 3.5Å; T125-K159 VanDerWaalsContact CA-O 3.23Å; T125-K159 WeakPolarHBondContact CA-O 3.46Å; T125-K159 HydrophobicContact CG2-CB 4.39Å; T125-K159 HydrophobicContact CG2-CD 4.29Å; T125-K159 HydrophobicContact CG2-CG 4.12Å; T125-K159 WeakPolarHBondContact OG1-CB 3.45Å; T125-K159 WeakPolarHBondContact OG1-CD 3.25Å; I126-K159 PolarHBondContact N-O 3.03Å; Y157-K159 HydrophobicContact CE1-CB 4Å; K159-N161 WeakPolarHBondContact CE-OD1 3.38Å; K159-L191 HydrophobicContact CB-CB 4.29Å; K159-L191 HydrophobicContact CB-CD2 4.02Å; K159-L191 HydrophobicContact CB-CG 4.37Å; K159-L191 HydrophobicContact CD-CD2 3.82Å; K159-L191 HydrophobicContact CG-CD2 3.73Å; K159-L191 HydrophobicContact CG-CG 4.16Å; K159-T193 HydrophobicContact CG-CG2 4.3Å |
| 160 | M | 97.8 | Very high | 96.1 | Very high | 0 Ų | 0 | 37.5 Ų | 37.5 | 0% | 0 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.3 | 106.7 | 176.1 | -179.9 | 79.9 | 77.3 | 0 | 0 | 109.8 | I126 Y128 L143 F174 F177 F190 L191 T193 | I126-M160 HydrophobicContact CB-SD 4.49Å; I126-M160 HydrophobicContact CD1-CE 3.29Å; I126-M160 HydrophobicContact CD1-SD 3.7Å; I126-M160 HydrophobicContact CG1-CE 3.85Å; I126-M160 HydrophobicContact CG1-SD 3.63Å; I126-M160 CarbonylContact O-C 3.57Å; I126-M160 WeakPolarHBondContact O-CA 3.43Å; Y128-M160 WeakPolarHBondContact CA-SD 3.47Å; Y128-M160 PolarHBondContact N-SD 3.37Å; L143-M160 HydrophobicContact CD2-CE 4.29Å; M160-F174 HydrophobicContact CB-CD1 4.43Å; M160-F174 HydrophobicContact CB-CE1 3.67Å; M160-F174 HydrophobicContact CB-CZ 4.03Å; M160-F174 HydrophobicContact CG-CD1 4.34Å; M160-F174 HydrophobicContact CG-CE1 3.59Å; M160-F174 HydrophobicContact CG-CE2 4.15Å; M160-F174 HydrophobicContact CG-CZ 3.47Å; M160-F174 VanDerWaalsContact CG-CZ 3.47Å; M160-F174 VanDerWaalsContact O-CE1 3.32Å; M160-F174 WeakPolarHBondContact O-CE1 3.35Å; M160-F174 WeakPolarHBondContact O-CZ 3.44Å; M160-F177 HydrophobicContact CE-CB 4.31Å; M160-F177 HydrophobicContact CE-CD1 3.24Å; M160-F177 HydrophobicContact CE-CD2 3.84Å; M160-F177 HydrophobicContact CE-CE1 3.29Å; M160-F177 HydrophobicContact CE-CE2 3.89Å; M160-F177 HydrophobicContact CE-CG 3.51Å; M160-F177 HydrophobicContact CE-CZ 3.63Å; M160-F190 HydrophobicContact CB-CE2 3.57Å; M160-F190 HydrophobicContact CB-CZ 4.05Å; M160-L191 PolarHBondContact N-O 3.05Å; M160-T193 WeakPolarHBondContact O-CG2 3.17Å; M160-T193 PolarHBondContact O-OG1 3.07Å |
| 161 | N | 95.7 | Very high | 95.9 | Very high | 13 Ų | 13 | 39 Ų | 39 | 7% | 0.07 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -70 | 151 | 172.9 | -78.3 | -19.8 | 0 | 0 | 0 | 110.9 | T125 I126 Y128 K159 T193 | T125-N161 VanDerWaalsContact CG2-ND2 3.31Å; T125-N161 WeakPolarHBondContact CG2-ND2 3.32Å; I126-N161 PolarHBondContact O-N 3.43Å; Y128-N161 WeakPolarHBondContact CB-O 3.46Å; Y128-N161 PolarHBondContact N-O 3.08Å; K159-N161 WeakPolarHBondContact CE-OD1 3.38Å; N161-T193 VanDerWaalsContact CA-OG1 3.28Å; N161-T193 WeakPolarHBondContact CA-OG1 3.26Å |
| 162 | S | 94.2 | Very high | 95.8 | Very high | 3 Ų | 3 | 42.7 Ų | 42.7 | 2% | 0.021 | 22% | 0.22 | C | C | . | . | trans | -113 | 12.1 | -177 | -37.6 | 0 | 0 | 0 | 0 | 114.9 | S165 M170 F174 T193 Y194 | S162-S165 VanDerWaalsContact O-CB 3.23Å; S162-S165 WeakPolarHBondContact O-CB 3.38Å; S162-S165 PolarHBondContact O-OG 3.05Å; S162-M170 WeakPolarHBondContact CB-SD 3.38Å; S162-F174 WeakPolarHBondContact OG-CZ 3.24Å; S162-T193 PolarHBondContact N-OG1 3.34Å; S162-T193 VanDerWaalsContact N-OG1 3.16Å; S162-T193 PolarHBondContact OG-OG1 3.34Å; S162-Y194 WeakPolarHBondContact OG-CA 3.38Å; S162-Y194 PolarHBondContact OG-N 3.34Å | ||
| 163 | C | 94.1 | Very high | 95.7 | Very high | 24 Ų | 24 | 36.9 Ų | 36.9 | 16% | 0.162 | 19% | 0.194 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -55 | 153.5 | 171.5 | -69.8 | 0 | 0 | 0 | 0 | 111.8 | G129 C133 S165 Y197 | G129-C163 WeakPolarHBondContact CA-O 3.45Å; C133-C163 WeakPolarHBondContact CA-SG 3.44Å; C133-C163 HydrophobicContact CB-CB 3.85Å; C133-C163 WeakPolarHBondContact CB-SG 3.37Å; C133-C163 WeakPolarHBondContact SG-CB 3.48Å; C133-C163 CovalentContact SG-SG 2.04Å; C133-C163 PolarHBondContact SG-SG 2.84Å; C163-S165 PolarHBondContact O-N 2.83Å; C163-S165 PolarHBondContact O-OG 3.47Å; C163-Y197 PolarHBondContact SG-OH 3.3Å |
| 164 | N | 95.2 | Very high | 95.6 | Very high | 94 Ų | 94 | 35.3 Ų | 35.3 | 50% | 0.503 | 19% | 0.188 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 52.9 | 36.7 | 177.3 | -49.1 | -67.3 | 0 | 0 | 0 | 113.9 | G129 T130 G131 T132 | G129-N164 WeakPolarHBondContact CA-O 3.43Å; T130-N164 PolarHBondContact N-O 3.25Å; T130-N164 VanDerWaalsContact N-O 3.07Å; G131-N164 PolarHBondContact O-ND2 2.89Å; T132-N164 PolarHBondContact O-ND2 2.96Å |
| 165 | S | 94.5 | Very high | 95.6 | Very high | 18 Ų | 18 | 34.7 Ų | 34.7 | 13% | 0.126 | 19% | 0.186 | C | C | . | . | trans | -122 | 139.7 | -177.8 | -53.1 | 0 | 0 | 0 | 0 | 110.3 | Y128 G129 S162 C163 D167 | Y128-S165 VanDerWaalsContact CD1-OG 3.25Å; Y128-S165 WeakPolarHBondContact CD1-OG 3.25Å; G129-S165 WeakPolarHBondContact CA-OG 3.4Å; G129-S165 PolarHBondContact N-OG 3.03Å; G129-S165 VanDerWaalsContact N-OG 3.08Å; S162-S165 VanDerWaalsContact O-CB 3.23Å; S162-S165 WeakPolarHBondContact O-CB 3.38Å; S162-S165 PolarHBondContact O-OG 3.05Å; C163-S165 PolarHBondContact O-N 2.83Å; C163-S165 PolarHBondContact O-OG 3.47Å; S165-D167 PolarHBondContact O-N 2.9Å | ||
| 166 | P | 91.9 | Very high | 95.5 | Very high | 43 Ų | 43 | 40.3 Ų | 40.3 | 28% | 0.279 | 21% | 0.21 | S | C | . | . | trans | -73 | 125.3 | 169.7 | 27.3 | -29.8 | 0 | 0 | 0 | 110.2 | M140 H168 M169 | M140-P166 HydrophobicContact CE-CG 4.48Å; M140-P166 HydrophobicContact SD-CG 4.4Å; P166-H168 VanDerWaalsContact C-N 3.28Å; P166-H168 PolarHBondContact O-N 3.46Å; P166-H168 VanDerWaalsContact O-N 3.14Å; P166-M169 HydrophobicContact CB-CE 4.1Å; P166-M169 HydrophobicContact CB-CG 4.36Å; P166-M169 HydrophobicContact CG-CB 4.04Å; P166-M169 HydrophobicContact CG-CE 3.46Å; P166-M169 VanDerWaalsContact CG-CE 3.46Å; P166-M169 HydrophobicContact CG-CG 3.71Å; P166-M169 HydrophobicContact CG-SD 3.46Å; P166-M169 WeakPolarHBondContact CG-SD 3.41Å; P166-M169 PolarHBondContact O-N 3.42Å | ||
| 167 | D | 89.6 | Confident | 95.5 | Very high | 103 Ų | 103 | 39.5 Ų | 39.5 | 55% | 0.551 | 21% | 0.205 | S | C | * | . | G | 310 helix | trans | -51.3 | -43.8 | -171.1 | -66.2 | -12 | 0 | 0 | 0 | 113.9 | S165 M169 M170 P171 | S165-D167 PolarHBondContact O-N 2.9Å; D167-M169 PolarHBondContact O-N 3.25Å; D167-M170 HydrophobicContact CB-CE 4.13Å; D167-M170 PolarHBondContact O-N 3.5Å; D167-P171 WeakPolarHBondContact O-CD 3.29Å |
| 168 | H | 90.9 | Very high | 95.5 | Very high | 146 Ų | 146 | 39.5 Ų | 39.5 | 68% | 0.676 | 21% | 0.206 | S | C | * | . | G | 310 helix | trans | -66.5 | -19.9 | -176.8 | 68.6 | -86.6 | 0 | 0 | 0 | 113.9 | P166 | P166-H168 VanDerWaalsContact C-N 3.28Å; P166-H168 PolarHBondContact O-N 3.46Å; P166-H168 VanDerWaalsContact O-N 3.14Å |
| 169 | M | 93.6 | Very high | 95.4 | Very high | 77 Ų | 77 | 45.3 Ų | 45.3 | 38% | 0.379 | 23% | 0.228 | S | C | . | . | G | 310 helix | trans | -92.5 | -19.5 | 179 | -57 | -172.7 | -155.4 | 0 | 0 | 112.9 | Y128 M140 P166 D167 D172 G173 | Y128-M169 WeakPolarHBondContact OH-CB 3.13Å; Y128-M169 PolarHBondContact OH-O 3.04Å; M140-M169 HydrophobicContact SD-SD 4.28Å; P166-M169 HydrophobicContact CB-CE 4.1Å; P166-M169 HydrophobicContact CB-CG 4.36Å; P166-M169 HydrophobicContact CG-CB 4.04Å; P166-M169 HydrophobicContact CG-CE 3.46Å; P166-M169 VanDerWaalsContact CG-CE 3.46Å; P166-M169 HydrophobicContact CG-CG 3.71Å; P166-M169 HydrophobicContact CG-SD 3.46Å; P166-M169 WeakPolarHBondContact CG-SD 3.41Å; P166-M169 PolarHBondContact O-N 3.42Å; D167-M169 PolarHBondContact O-N 3.25Å; M169-D172 PolarHBondContact O-N 3.48Å; M169-G173 PolarHBondContact O-N 2.92Å |
| 170 | M | 94.3 | Very high | 95.4 | Very high | 5 Ų | 5 | 46.6 Ų | 46.6 | 3% | 0.025 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -60 | -45.6 | -172.3 | -55.7 | -171.2 | -73.6 | 0 | 0 | 113.1 | Y128 S162 D167 D172 G173 F174 Y194 | Y128-M170 HydrophobicContact CD1-CB 4.46Å; Y128-M170 HydrophobicContact CD1-CG 4.04Å; Y128-M170 HydrophobicContact CE1-CB 4.26Å; Y128-M170 HydrophobicContact CE1-CG 3.94Å; S162-M170 WeakPolarHBondContact CB-SD 3.38Å; D167-M170 HydrophobicContact CB-CE 4.13Å; D167-M170 PolarHBondContact O-N 3.5Å; M170-D172 VanDerWaalsContact C-N 3.34Å; M170-D172 PolarHBondContact O-N 3.11Å; M170-G173 PolarHBondContact O-N 3.45Å; M170-F174 HydrophobicContact CB-CD2 4.3Å; M170-F174 HydrophobicContact CB-CE2 4.36Å; M170-F174 WeakPolarHBondContact O-CB 3.45Å; M170-F174 WeakPolarHBondContact O-CD2 3.34Å; M170-F174 PolarHBondContact O-N 2.82Å; M170-Y194 HydrophobicContact CB-CD2 4.45Å; M170-Y194 HydrophobicContact CB-CG 4.09Å |
| 171 | P | 94.5 | Very high | 95.4 | Very high | 32 Ų | 32 | 46.9 Ų | 46.9 | 21% | 0.208 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -57.1 | -45.7 | 179.4 | -27.8 | 38.2 | 0 | 0 | 0 | 113.1 | D167 E175 Y194 R211 | D167-P171 WeakPolarHBondContact O-CD 3.29Å; P171-E175 PolarHBondContact O-N 2.96Å; P171-E175 VanDerWaalsContact O-N 3.16Å; P171-Y194 HydrophobicContact CG-CD2 4.47Å; P171-Y194 HydrophobicContact CG-CE2 4.02Å; P171-R211 VanDerWaalsContact O-CZ 3.31Å; P171-R211 PolarHBondContact O-NE 3.38Å; P171-R211 PolarHBondContact O-NH2 3.19Å |
| 172 | D | 95.7 | Very high | 95.5 | Very high | 98 Ų | 98 | 50.1 Ų | 50.1 | 52% | 0.524 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -68.2 | -41.1 | 178.1 | -67.9 | -11 | 0 | 0 | 0 | 112.6 | M169 M170 K176 R211 | M169-D172 PolarHBondContact O-N 3.48Å; M170-D172 VanDerWaalsContact C-N 3.34Å; M170-D172 PolarHBondContact O-N 3.11Å; D172-K176 VanDerWaalsContact O-CB 3.27Å; D172-K176 WeakPolarHBondContact O-CB 3.37Å; D172-K176 PolarHBondContact O-N 3.17Å; D172-R211 IonicContact OD1-CZ 2.73Å; D172-R211 IonicContact OD1-NH1 2.71Å; D172-R211 PolarHBondContact OD1-NH1 2.91Å; D172-R211 IonicContact OD1-NH2 2.59Å; D172-R211 PolarHBondContact OD1-NH2 3.47Å |
| 173 | G | 96.9 | Very high | 95.7 | Very high | 5 Ų | 5 | 53.2 Ų | 53.2 | 5% | 0.052 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -64 | -44.1 | 178.3 | 0 | 0 | 0 | 0 | 0 | 113.4 | Y128 M169 M170 K176 F177 | Y128-G173 VanDerWaalsContact CE2-CA 3.47Å; M169-G173 PolarHBondContact O-N 2.92Å; M170-G173 PolarHBondContact O-N 3.45Å; G173-K176 PolarHBondContact O-N 3.05Å; G173-F177 WeakPolarHBondContact O-CB 3.37Å; G173-F177 PolarHBondContact O-N 2.9Å |
| 174 | F | 97.4 | Very high | 95.8 | Very high | 2 Ų | 2 | 54.1 Ų | 54.1 | 1% | 0.009 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -68.3 | -40.9 | 178.2 | -83 | -110.5 | 0 | 0 | 0 | 111.7 | Y128 M160 S162 M170 F177 S178 F190 C192 Y194 | Y128-F174 HydrophobicContact CD1-CD2 4.32Å; Y128-F174 AromaticContact CD1-CE2 3.84Å; Y128-F174 HydrophobicContact CD1-CE2 3.84Å; Y128-F174 HydrophobicContact CD2-CD2 4.37Å; Y128-F174 HydrophobicContact CD2-CE2 4.3Å; Y128-F174 HydrophobicContact CG-CD2 4.09Å; Y128-F174 AromaticContact CG-CE2 3.62Å; Y128-F174 HydrophobicContact CG-CE2 3.62Å; M160-F174 HydrophobicContact CB-CD1 4.43Å; M160-F174 HydrophobicContact CB-CE1 3.67Å; M160-F174 HydrophobicContact CB-CZ 4.03Å; M160-F174 HydrophobicContact CG-CD1 4.34Å; M160-F174 HydrophobicContact CG-CE1 3.59Å; M160-F174 HydrophobicContact CG-CE2 4.15Å; M160-F174 HydrophobicContact CG-CZ 3.47Å; M160-F174 VanDerWaalsContact CG-CZ 3.47Å; M160-F174 VanDerWaalsContact O-CE1 3.32Å; M160-F174 WeakPolarHBondContact O-CE1 3.35Å; M160-F174 WeakPolarHBondContact O-CZ 3.44Å; S162-F174 WeakPolarHBondContact OG-CZ 3.24Å; M170-F174 HydrophobicContact CB-CD2 4.3Å; M170-F174 HydrophobicContact CB-CE2 4.36Å; M170-F174 WeakPolarHBondContact O-CB 3.45Å; M170-F174 WeakPolarHBondContact O-CD2 3.34Å; M170-F174 PolarHBondContact O-N 2.82Å; F174-F177 PolarHBondContact O-N 2.86Å; F174-S178 WeakPolarHBondContact O-CB 3.45Å; F174-S178 PolarHBondContact O-N 3.12Å; F174-F190 HydrophobicContact CD1-CE1 4.28Å; F174-F190 AromaticContact CD1-CZ 3.71Å; F174-F190 HydrophobicContact CD1-CZ 3.71Å; F174-F190 HydrophobicContact CE1-CZ 4.3Å; F174-F190 HydrophobicContact CG-CZ 4.46Å; F174-C192 HydrophobicContact CD1-CB 3.75Å; F174-C192 HydrophobicContact CE1-CB 4.08Å; F174-Y194 HydrophobicContact CB-CD1 4.15Å; F174-Y194 HydrophobicContact CB-CE1 4.42Å; F174-Y194 HydrophobicContact CD1-CD1 4.11Å; F174-Y194 HydrophobicContact CD2-CD1 4.09Å; F174-Y194 AromaticContact CG-CD1 3.84Å; F174-Y194 HydrophobicContact CG-CD1 3.84Å |
| 175 | E | 97.2 | Very high | 95.9 | Very high | 36 Ų | 36 | 52.9 Ų | 52.9 | 17% | 0.168 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -63.1 | -45.3 | 172.9 | 170.2 | 162.7 | -167.3 | 0 | 0 | 111.9 | P171 F177 S178 R179 R211 N215 | P171-E175 PolarHBondContact O-N 2.96Å; P171-E175 VanDerWaalsContact O-N 3.16Å; E175-F177 VanDerWaalsContact C-N 3.3Å; E175-F177 PolarHBondContact O-N 3.36Å; E175-S178 WeakPolarHBondContact O-CB 3.38Å; E175-S178 PolarHBondContact O-N 2.81Å; E175-R179 WeakPolarHBondContact O-CG 3.26Å; E175-R179 PolarHBondContact O-N 3.06Å; E175-R179 IonicContact OE1-CZ 3.87Å; E175-R179 IonicContact OE1-NE 3.57Å; E175-R179 IonicContact OE1-NH2 3.32Å; E175-R179 PolarHBondContact OE1-NH2 3.24Å; E175-R211 IonicContact OE2-CZ 3.95Å; E175-R211 IonicContact OE2-NE 2.87Å; E175-R211 PolarHBondContact OE2-NE 3.38Å; E175-R211 IonicContact OE2-NH2 3.21Å; E175-R211 PolarHBondContact OE2-NH2 3.22Å; E175-N215 WeakPolarHBondContact CG-OD1 3.43Å |
| 176 | K | 97.9 | Very high | 96 | Very high | 117 Ų | 117 | 55.2 Ų | 55.2 | 51% | 0.509 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -57.3 | -46.3 | 175 | 179.5 | 178.6 | 174 | -174.1 | 0 | 110.7 | L143 D172 G173 R179 L180 | L143-K176 HydrophobicContact CD1-CD 3.99Å; L143-K176 HydrophobicContact CD1-CG 4.31Å; D172-K176 VanDerWaalsContact O-CB 3.27Å; D172-K176 WeakPolarHBondContact O-CB 3.37Å; D172-K176 PolarHBondContact O-N 3.17Å; G173-K176 PolarHBondContact O-N 3.05Å; K176-R179 PolarHBondContact O-N 3.18Å; K176-L180 HydrophobicContact CG-CD1 3.91Å; K176-L180 HydrophobicContact CG-CG 4.48Å; K176-L180 VanDerWaalsContact O-CG 3.26Å; K176-L180 WeakPolarHBondContact O-CG 3.35Å; K176-L180 PolarHBondContact O-N 3.14Å |
| 177 | F | 98.3 | Very high | 96.3 | Very high | 0 Ų | 0 | 56.8 Ų | 56.8 | 0% | 0 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -64.8 | -40 | 179.1 | -168.4 | -110.2 | 0 | 0 | 0 | 112.5 | I126 L143 A147 L150 V158 M160 G173 F174 E175 R179 L180 L181 F190 | I126-F177 HydrophobicContact CD1-CE1 4.01Å; I126-F177 HydrophobicContact CD1-CE2 4.15Å; I126-F177 HydrophobicContact CD1-CZ 3.51Å; L143-F177 HydrophobicContact CB-CD2 4.05Å; L143-F177 HydrophobicContact CD2-CB 4.26Å; L143-F177 HydrophobicContact CD2-CD2 3.78Å; L143-F177 HydrophobicContact CD2-CG 4.26Å; L143-F177 HydrophobicContact CG-CD2 4.46Å; L143-F177 WeakPolarHBondContact O-CE2 3.25Å; A147-F177 HydrophobicContact CB-CD2 4.46Å; A147-F177 HydrophobicContact CB-CE2 3.88Å; A147-F177 HydrophobicContact CB-CZ 4.49Å; L150-F177 HydrophobicContact CD1-CZ 3.89Å; V158-F177 HydrophobicContact CG1-CE1 3.95Å; V158-F177 HydrophobicContact CG1-CZ 4.42Å; M160-F177 HydrophobicContact CE-CB 4.31Å; M160-F177 HydrophobicContact CE-CD1 3.24Å; M160-F177 HydrophobicContact CE-CD2 3.84Å; M160-F177 HydrophobicContact CE-CE1 3.29Å; M160-F177 HydrophobicContact CE-CE2 3.89Å; M160-F177 HydrophobicContact CE-CG 3.51Å; M160-F177 HydrophobicContact CE-CZ 3.63Å; G173-F177 WeakPolarHBondContact O-CB 3.37Å; G173-F177 PolarHBondContact O-N 2.9Å; F174-F177 PolarHBondContact O-N 2.86Å; E175-F177 VanDerWaalsContact C-N 3.3Å; E175-F177 PolarHBondContact O-N 3.36Å; F177-R179 VanDerWaalsContact C-N 3.34Å; F177-R179 PolarHBondContact O-N 3.04Å; F177-L180 WeakPolarHBondContact O-CB 3.42Å; F177-L180 PolarHBondContact O-N 2.93Å; F177-L180 VanDerWaalsContact O-N 3.13Å; F177-L181 HydrophobicContact CD1-CD1 3.81Å; F177-L181 HydrophobicContact CD1-CG 3.96Å; F177-L181 HydrophobicContact CE1-CD1 3.56Å; F177-L181 HydrophobicContact CE1-CD2 3.76Å; F177-L181 HydrophobicContact CE1-CG 3.67Å; F177-L181 HydrophobicContact CE2-CD2 4.42Å; F177-L181 HydrophobicContact CZ-CD1 4.36Å; F177-L181 HydrophobicContact CZ-CD2 3.7Å; F177-L181 HydrophobicContact CZ-CG 4.01Å; F177-L181 WeakPolarHBondContact O-CG 3.33Å; F177-L181 PolarHBondContact O-N 2.82Å; F177-F190 HydrophobicContact CD1-CD2 4.4Å; F177-F190 HydrophobicContact CD1-CE1 4.34Å; F177-F190 AromaticContact CD1-CE2 3.68Å; F177-F190 HydrophobicContact CD1-CE2 3.68Å; F177-F190 AromaticContact CD1-CZ 3.66Å; F177-F190 HydrophobicContact CD1-CZ 3.66Å; F177-F190 HydrophobicContact CE1-CE2 4.02Å; F177-F190 HydrophobicContact CE1-CZ 4.45Å |
| 178 | S | 98 | Very high | 96.7 | Very high | 3 Ų | 3 | 52.1 Ų | 52.1 | 2% | 0.021 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -56.2 | -46.5 | 173.3 | -172.2 | 0 | 0 | 0 | 0 | 112.3 | F174 E175 L180 L181 N182 N215 | F174-S178 WeakPolarHBondContact O-CB 3.45Å; F174-S178 PolarHBondContact O-N 3.12Å; E175-S178 WeakPolarHBondContact O-CB 3.38Å; E175-S178 PolarHBondContact O-N 2.81Å; S178-L180 VanDerWaalsContact C-N 3.35Å; S178-L180 PolarHBondContact O-N 3.06Å; S178-L181 PolarHBondContact O-N 2.88Å; S178-N182 PolarHBondContact O-N 3.08Å; S178-N215 WeakPolarHBondContact CB-O 3.28Å; S178-N215 PolarHBondContact OG-O 2.98Å |
| 179 | R | 97.8 | Very high | 97.1 | Very high | 122 Ų | 122 | 45.3 Ų | 45.3 | 46% | 0.46 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -63.3 | -39.8 | 175.1 | -64.7 | 177.3 | -169.4 | 177.3 | 0.7 | 112.2 | E175 K176 F177 N182 G183 | E175-R179 WeakPolarHBondContact O-CG 3.26Å; E175-R179 PolarHBondContact O-N 3.06Å; E175-R179 IonicContact OE1-CZ 3.87Å; E175-R179 IonicContact OE1-NE 3.57Å; E175-R179 IonicContact OE1-NH2 3.32Å; E175-R179 PolarHBondContact OE1-NH2 3.24Å; K176-R179 PolarHBondContact O-N 3.18Å; F177-R179 VanDerWaalsContact C-N 3.34Å; F177-R179 PolarHBondContact O-N 3.04Å; R179-N182 PolarHBondContact O-N 2.81Å; R179-G183 PolarHBondContact O-N 3Å |
| 180 | L | 98.3 | Very high | 97.3 | Very high | 37 Ų | 37 | 41.6 Ų | 41.6 | 19% | 0.194 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -66.3 | -43.4 | 177.8 | -71 | 166.3 | 0 | 0 | 0 | 111.8 | L143 E144 A147 K176 F177 S178 N182 G183 T184 | L143-L180 HydrophobicContact CB-CD1 3.67Å; E144-L180 HydrophobicContact CB-CD1 4.1Å; E144-L180 HydrophobicContact CB-CD2 3.8Å; E144-L180 HydrophobicContact CG-CD2 3.88Å; A147-L180 HydrophobicContact CB-CB 3.85Å; K176-L180 HydrophobicContact CG-CD1 3.91Å; K176-L180 HydrophobicContact CG-CG 4.48Å; K176-L180 VanDerWaalsContact O-CG 3.26Å; K176-L180 WeakPolarHBondContact O-CG 3.35Å; K176-L180 PolarHBondContact O-N 3.14Å; F177-L180 WeakPolarHBondContact O-CB 3.42Å; F177-L180 PolarHBondContact O-N 2.93Å; F177-L180 VanDerWaalsContact O-N 3.13Å; S178-L180 VanDerWaalsContact C-N 3.35Å; S178-L180 PolarHBondContact O-N 3.06Å; L180-N182 PolarHBondContact O-N 2.95Å; L180-G183 PolarHBondContact O-N 3.45Å; L180-G183 VanDerWaalsContact O-N 3.17Å; L180-T184 WeakPolarHBondContact O-CG2 3.4Å; L180-T184 PolarHBondContact O-N 3.16Å |
| 181 | L | 98.4 | Very high | 97.5 | Very high | 6 Ų | 6 | 41.5 Ų | 41.5 | 3% | 0.031 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -56.8 | -49.8 | 172.7 | -71.2 | 176.7 | 0 | 0 | 0 | 110.6 | A147 V158 F177 S178 G183 T184 M188 F190 | A147-L181 HydrophobicContact CB-CD2 4.26Å; V158-L181 HydrophobicContact CG2-CD2 4.23Å; F177-L181 HydrophobicContact CD1-CD1 3.81Å; F177-L181 HydrophobicContact CD1-CG 3.96Å; F177-L181 HydrophobicContact CE1-CD1 3.56Å; F177-L181 HydrophobicContact CE1-CD2 3.76Å; F177-L181 HydrophobicContact CE1-CG 3.67Å; F177-L181 HydrophobicContact CE2-CD2 4.42Å; F177-L181 HydrophobicContact CZ-CD1 4.36Å; F177-L181 HydrophobicContact CZ-CD2 3.7Å; F177-L181 HydrophobicContact CZ-CG 4.01Å; F177-L181 WeakPolarHBondContact O-CG 3.33Å; F177-L181 PolarHBondContact O-N 2.82Å; S178-L181 PolarHBondContact O-N 2.88Å; L181-G183 VanDerWaalsContact C-N 3.29Å; L181-G183 PolarHBondContact O-N 2.9Å; L181-T184 WeakPolarHBondContact O-CB 3.39Å; L181-T184 PolarHBondContact O-N 3.42Å; L181-T184 VanDerWaalsContact O-N 3.15Å; L181-T184 PolarHBondContact O-OG1 3.18Å; L181-M188 HydrophobicContact CB-CE 4.1Å; L181-M188 HydrophobicContact CD2-CE 3.5Å; L181-M188 HydrophobicContact CD2-SD 3.77Å; L181-M188 HydrophobicContact CG-CE 4.4Å; L181-F190 HydrophobicContact CD1-CB 4.06Å; L181-F190 HydrophobicContact CD1-CD1 4.35Å; L181-F190 HydrophobicContact CD1-CD2 3.89Å; L181-F190 HydrophobicContact CD1-CE2 4.46Å; L181-F190 HydrophobicContact CD1-CG 3.86Å |
| 182 | N | 97 | Very high | 97.6 | Very high | 81 Ų | 81 | 40 Ų | 40 | 43% | 0.433 | 23% | 0.232 | S | C | . | . | H | α-helix | trans | -59.8 | -39.9 | 176.4 | -169.5 | 38.5 | 0 | 0 | 0 | 112 | S178 R179 L180 T184 G185 | S178-N182 PolarHBondContact O-N 3.08Å; R179-N182 PolarHBondContact O-N 2.81Å; L180-N182 PolarHBondContact O-N 2.95Å; N182-T184 PolarHBondContact O-N 3.49Å; N182-G185 PolarHBondContact O-N 3.24Å |
| 183 | G | 97.4 | Very high | 97.7 | Very high | 69 Ų | 69 | 35.4 Ų | 35.4 | 71% | 0.711 | 21% | 0.208 | S | C | * | . | H | α-helix | trans | -64.1 | -15.2 | 177.8 | 0 | 0 | 0 | 0 | 0 | 115.1 | R179 L180 L181 G185 | R179-G183 PolarHBondContact O-N 3Å; L180-G183 PolarHBondContact O-N 3.45Å; L180-G183 VanDerWaalsContact O-N 3.17Å; L181-G183 VanDerWaalsContact C-N 3.29Å; L181-G183 PolarHBondContact O-N 2.9Å; G183-G185 VanDerWaalsContact C-N 3.26Å; G183-G185 PolarHBondContact O-N 2.86Å |
| 184 | T | 98 | Very high | 97.5 | Very high | 43 Ų | 43 | 35.6 Ų | 35.6 | 26% | 0.264 | 21% | 0.207 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -73.4 | -18.3 | 172.5 | 69.7 | 0 | 0 | 0 | 0 | 113 | A147 A151 L180 L181 N182 R186 M188 | A147-T184 HydrophobicContact CB-CG2 4.28Å; A147-T184 WeakPolarHBondContact O-CG2 3.45Å; A151-T184 HydrophobicContact CB-CG2 3.69Å; L180-T184 WeakPolarHBondContact O-CG2 3.4Å; L180-T184 PolarHBondContact O-N 3.16Å; L181-T184 WeakPolarHBondContact O-CB 3.39Å; L181-T184 PolarHBondContact O-N 3.42Å; L181-T184 VanDerWaalsContact O-N 3.15Å; L181-T184 PolarHBondContact O-OG1 3.18Å; N182-T184 PolarHBondContact O-N 3.49Å; T184-R186 PolarHBondContact O-N 2.8Å; T184-R186 PolarHBondContact OG1-N 3.05Å; T184-M188 HydrophobicContact CG2-CE 4.14Å; T184-M188 VanDerWaalsContact OG1-CE 3.23Å; T184-M188 WeakPolarHBondContact OG1-CE 3.19Å |
| 185 | G | 96.8 | Very high | 97.3 | Very high | 68 Ų | 68 | 35.5 Ų | 35.5 | 70% | 0.701 | 21% | 0.207 | S | C | * | . | S | Bend | trans | 76.6 | -5.9 | -173.5 | 0 | 0 | 0 | 0 | 0 | 114.7 | N182 G183 | N182-G185 PolarHBondContact O-N 3.24Å; G183-G185 VanDerWaalsContact C-N 3.26Å; G183-G185 PolarHBondContact O-N 2.86Å |
| 186 | R | 97.2 | Very high | 96.9 | Very high | 66 Ų | 66 | 36 Ų | 36 | 25% | 0.249 | 21% | 0.21 | C | C | . | . | S | Bend | trans | -91 | 122.7 | 173 | -175.2 | 177.3 | -176.6 | 89.5 | 4.4 | 110 | H116 A151 E154 V155 D156 T184 M188 | H116-R186 PolarHBondContact CE1-NH2 2.85Å; A151-R186 HydrophobicContact CB-CB 4.24Å; E154-R186 VanDerWaalsContact C-CZ 3.43Å; E154-R186 VanDerWaalsContact C-NE 3.28Å; E154-R186 VanDerWaalsContact CA-CZ 3.42Å; E154-R186 PolarHBondContact O-NE 3.2Å; E154-R186 PolarHBondContact O-NH2 3.38Å; V155-R186 VanDerWaalsContact O-CD 3.27Å; V155-R186 WeakPolarHBondContact O-CD 3.37Å; V155-R186 PolarHBondContact O-NE 3.22Å; D156-R186 IonicContact OD1-CZ 2.73Å; D156-R186 IonicContact OD1-NE 3.63Å; D156-R186 IonicContact OD1-NH2 3.59Å; D156-R186 PolarHBondContact OD1-NH2 2.94Å; T184-R186 PolarHBondContact O-N 2.8Å; T184-R186 PolarHBondContact OG1-N 3.05Å; R186-M188 HydrophobicContact CB-CE 4.33Å; R186-M188 HydrophobicContact CG-CG 4.38Å; R186-M188 PolarHBondContact O-N 2.99Å; R186-M188 VanDerWaalsContact O-N 3.12Å |
| 187 | P | 97 | Very high | 96 | Very high | 76 Ų | 76 | 34.6 Ų | 34.6 | 49% | 0.494 | 20% | 0.202 | S | C | . | . | trans | -62.7 | 115.6 | 172.7 | -21.4 | 33.3 | 0 | 0 | 0 | 110.6 | L26 | L26-P187 HydrophobicContact CD1-CB 4.01Å; L26-P187 HydrophobicContact CD2-CB 4.4Å; L26-P187 HydrophobicContact CG-CB 4.34Å | ||
| 188 | M | 98.3 | Very high | 95 | Very high | 6 Ų | 6 | 36 Ų | 36 | 3% | 0.03 | 22% | 0.216 | C | C | . | . | trans | -123.9 | 128.9 | 176.3 | -75.4 | 175.9 | -78.5 | 0 | 0 | 109.5 | N24 L150 A151 V155 D156 V158 L181 T184 R186 | N24-M188 PolarHBondContact ND2-O 2.86Å; N24-M188 VanDerWaalsContact ND2-O 3.14Å; L150-M188 HydrophobicContact CB-SD 4.32Å; A151-M188 HydrophobicContact CB-CE 4.12Å; V155-M188 HydrophobicContact CB-SD 4.42Å; V155-M188 WeakPolarHBondContact O-CG 3.31Å; D156-M188 CarbonylContact O-C 3.5Å; D156-M188 WeakPolarHBondContact O-CA 3.43Å; V158-M188 HydrophobicContact CG2-SD 4.2Å; L181-M188 HydrophobicContact CB-CE 4.1Å; L181-M188 HydrophobicContact CD2-CE 3.5Å; L181-M188 HydrophobicContact CD2-SD 3.77Å; L181-M188 HydrophobicContact CG-CE 4.4Å; T184-M188 HydrophobicContact CG2-CE 4.14Å; T184-M188 VanDerWaalsContact OG1-CE 3.23Å; T184-M188 WeakPolarHBondContact OG1-CE 3.19Å; R186-M188 HydrophobicContact CB-CE 4.33Å; R186-M188 HydrophobicContact CG-CG 4.38Å; R186-M188 PolarHBondContact O-N 2.99Å; R186-M188 VanDerWaalsContact O-N 3.12Å | ||
| 189 | M | 98.2 | Very high | 94.2 | Very high | 2 Ų | 2 | 39.4 Ų | 39.4 | 1% | 0.01 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -69.8 | 130.1 | 171.7 | -177.5 | 165 | -61.6 | 0 | 0 | 109.2 | L26 A27 P31 Y78 D156 Y157 V158 N217 L218 | L26-M189 HydrophobicContact CB-CE 4.18Å; L26-M189 HydrophobicContact CD1-CB 4.24Å; A27-M189 HydrophobicContact CB-CE 3.67Å; A27-M189 HydrophobicContact CB-SD 4.45Å; P31-M189 HydrophobicContact CB-CE 4.04Å; P31-M189 HydrophobicContact CB-SD 3.73Å; P31-M189 HydrophobicContact CG-CE 4.31Å; P31-M189 HydrophobicContact CG-SD 3.59Å; P31-M189 VanDerWaalsContact CG-SD 3.59Å; Y78-M189 HydrophobicContact CE2-CE 4.23Å; Y78-M189 WeakPolarHBondContact OH-CE 3.39Å; D156-M189 PolarHBondContact O-N 3.2Å; Y157-M189 CarbonylContact C-O 3.53Å; Y157-M189 WeakPolarHBondContact CA-O 3.45Å; Y157-M189 HydrophobicContact CD2-CB 3.7Å; Y157-M189 HydrophobicContact CD2-CG 3.6Å; Y157-M189 HydrophobicContact CD2-SD 3.51Å; Y157-M189 VanDerWaalsContact CD2-SD 3.51Å; Y157-M189 HydrophobicContact CE2-CB 4.42Å; Y157-M189 HydrophobicContact CE2-CG 3.83Å; Y157-M189 HydrophobicContact CE2-SD 3.55Å; Y157-M189 VanDerWaalsContact CE2-SD 3.55Å; Y157-M189 HydrophobicContact CG-CB 4.24Å; V158-M189 PolarHBondContact N-O 3.49Å; M189-N217 WeakPolarHBondContact CA-OD1 3.31Å; M189-N217 HydrophobicContact CG-CB 3.83Å; M189-L218 HydrophobicContact SD-CD1 4.09Å; M189-L218 HydrophobicContact SD-CG 4.43Å |
| 190 | F | 98.5 | Very high | 93.7 | Very high | 0 Ų | 0 | 33.8 Ų | 33.8 | 0% | 0 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.1 | 117.3 | -176.8 | -172.4 | -144.7 | 0 | 0 | 0 | 112.8 | V158 M160 F174 F177 L181 C192 N215 N217 L218 | V158-F190 HydrophobicContact CB-CD2 4.37Å; M160-F190 HydrophobicContact CB-CE2 3.57Å; M160-F190 HydrophobicContact CB-CZ 4.05Å; F174-F190 HydrophobicContact CD1-CE1 4.28Å; F174-F190 AromaticContact CD1-CZ 3.71Å; F174-F190 HydrophobicContact CD1-CZ 3.71Å; F174-F190 HydrophobicContact CE1-CZ 4.3Å; F174-F190 HydrophobicContact CG-CZ 4.46Å; F177-F190 HydrophobicContact CD1-CD2 4.4Å; F177-F190 HydrophobicContact CD1-CE1 4.34Å; F177-F190 AromaticContact CD1-CE2 3.68Å; F177-F190 HydrophobicContact CD1-CE2 3.68Å; F177-F190 AromaticContact CD1-CZ 3.66Å; F177-F190 HydrophobicContact CD1-CZ 3.66Å; F177-F190 HydrophobicContact CE1-CE2 4.02Å; F177-F190 HydrophobicContact CE1-CZ 4.45Å; L181-F190 HydrophobicContact CD1-CB 4.06Å; L181-F190 HydrophobicContact CD1-CD1 4.35Å; L181-F190 HydrophobicContact CD1-CD2 3.89Å; L181-F190 HydrophobicContact CD1-CE2 4.46Å; L181-F190 HydrophobicContact CD1-CG 3.86Å; F190-C192 WeakPolarHBondContact CE1-SG 3.5Å; F190-N215 VanDerWaalsContact CD1-O 3.29Å; F190-N215 WeakPolarHBondContact CD1-O 3.48Å; F190-N217 PolarHBondContact N-OD1 2.82Å; F190-N217 PolarHBondContact O-N 2.77Å; F190-L218 PolarHBondContact O-N 2.8Å; F190-L218 VanDerWaalsContact O-N 3.08Å |
| 191 | L | 98.2 | Very high | 93.1 | Very high | 2 Ų | 2 | 36.1 Ų | 36.1 | 1% | 0.01 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.9 | 117.7 | 173.1 | 168 | 58.3 | 0 | 0 | 0 | 111 | Y157 V158 K159 M160 L218 R220 D257 | Y157-L191 HydrophobicContact CE1-CB 4.27Å; Y157-L191 WeakPolarHBondContact OH-CB 3.43Å; Y157-L191 WeakPolarHBondContact OH-CD2 3.16Å; V158-L191 PolarHBondContact O-N 2.98Å; K159-L191 HydrophobicContact CB-CB 4.29Å; K159-L191 HydrophobicContact CB-CD2 4.02Å; K159-L191 HydrophobicContact CB-CG 4.37Å; K159-L191 HydrophobicContact CD-CD2 3.82Å; K159-L191 HydrophobicContact CG-CD2 3.73Å; K159-L191 HydrophobicContact CG-CG 4.16Å; M160-L191 PolarHBondContact N-O 3.05Å; L191-L218 HydrophobicContact CB-CB 3.95Å; L191-L218 HydrophobicContact CB-CD1 4.21Å; L191-L218 HydrophobicContact CD1-CB 3.41Å; L191-L218 VanDerWaalsContact CD1-CB 3.41Å; L191-L218 HydrophobicContact CG-CB 4.22Å; L191-R220 HydrophobicContact CD1-CB 4.14Å; L191-R220 HydrophobicContact CD1-CG 3.58Å; L191-R220 HydrophobicContact CD2-CG 3.96Å; L191-R220 HydrophobicContact CG-CG 4.24Å; L191-D257 HydrophobicContact CD1-CB 4.28Å; L191-D257 WeakPolarHBondContact CD2-OD2 3.29Å |
| 192 | C | 97.6 | Very high | 92.6 | Very high | 0 Ų | 0 | 39.9 Ų | 39.9 | 0% | 0 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.8 | 129.2 | 179.2 | -62.7 | 0 | 0 | 0 | 0 | 111.6 | F174 F190 L212 C216 L218 I219 R220 | F174-C192 HydrophobicContact CD1-CB 3.75Å; F174-C192 HydrophobicContact CE1-CB 4.08Å; F190-C192 WeakPolarHBondContact CE1-SG 3.5Å; C192-L212 HydrophobicContact CB-CD2 4.09Å; C192-C216 HydrophobicContact CB-CB 3.74Å; C192-C216 WeakPolarHBondContact CB-SG 3.31Å; C192-C216 WeakPolarHBondContact SG-CB 3.41Å; C192-C216 CovalentContact SG-SG 2.02Å; C192-C216 PolarHBondContact SG-SG 2.83Å; C192-L218 PolarHBondContact N-O 2.83Å; C192-I219 WeakPolarHBondContact O-CA 3.29Å; C192-R220 PolarHBondContact O-N 2.89Å |
| 193 | T | 96.3 | Very high | 92.2 | Very high | 2 Ų | 2 | 41.3 Ų | 41.3 | 1% | 0.012 | 26% | 0.26 | C | S | . | . | trans | -112.7 | -1.3 | -178.3 | 72.2 | 0 | 0 | 0 | 0 | 114.6 | K159 M160 N161 S162 P195 L196 R220 | K159-T193 HydrophobicContact CG-CG2 4.3Å; M160-T193 WeakPolarHBondContact O-CG2 3.17Å; M160-T193 PolarHBondContact O-OG1 3.07Å; N161-T193 VanDerWaalsContact CA-OG1 3.28Å; N161-T193 WeakPolarHBondContact CA-OG1 3.26Å; S162-T193 PolarHBondContact N-OG1 3.34Å; S162-T193 VanDerWaalsContact N-OG1 3.16Å; S162-T193 PolarHBondContact OG-OG1 3.34Å; T193-P195 VanDerWaalsContact C-N 3.27Å; T193-L196 WeakPolarHBondContact O-CB 3.33Å; T193-L196 PolarHBondContact O-N 3.47Å; T193-R220 HydrophobicContact CG2-CB 4.02Å; T193-R220 HydrophobicContact CG2-CG 4.39Å | ||
| 194 | Y | 93.4 | Very high | 91.9 | Very high | 10 Ų | 10 | 39.5 Ų | 39.5 | 4% | 0.039 | 24% | 0.236 | C | C | . | . | G | 310 helix | trans | -60.5 | -29.1 | -173.8 | 82.7 | -104.2 | 0 | 0 | 0 | 114.6 | S162 M170 P171 F174 L196 Y197 I207 L212 | S162-Y194 WeakPolarHBondContact OG-CA 3.38Å; S162-Y194 PolarHBondContact OG-N 3.34Å; M170-Y194 HydrophobicContact CB-CD2 4.45Å; M170-Y194 HydrophobicContact CB-CG 4.09Å; P171-Y194 HydrophobicContact CG-CD2 4.47Å; P171-Y194 HydrophobicContact CG-CE2 4.02Å; F174-Y194 HydrophobicContact CB-CD1 4.15Å; F174-Y194 HydrophobicContact CB-CE1 4.42Å; F174-Y194 HydrophobicContact CD1-CD1 4.11Å; F174-Y194 HydrophobicContact CD2-CD1 4.09Å; F174-Y194 AromaticContact CG-CD1 3.84Å; F174-Y194 HydrophobicContact CG-CD1 3.84Å; Y194-L196 PolarHBondContact O-N 3.08Å; Y194-Y197 PolarHBondContact O-N 3.02Å; Y194-I207 HydrophobicContact CD2-CD1 4.38Å; Y194-I207 HydrophobicContact CE2-CD1 3.85Å; Y194-L212 HydrophobicContact CD1-CD2 4.07Å; Y194-L212 HydrophobicContact CE1-CD2 3.25Å; Y194-L212 HydrophobicContact CE1-CG 4.02Å; Y194-L212 VanDerWaalsContact OH-CG 3.3Å; Y194-L212 WeakPolarHBondContact OH-CG 3.39Å |
| 195 | P | 92.8 | Very high | 91.5 | Very high | 0 Ų | 0 | 43.9 Ų | 43.9 | 0% | 0 | 25% | 0.253 | C | S | . | . | G | 310 helix | trans | -60 | -27.7 | 174.1 | -28.5 | 40.4 | 0 | 0 | 0 | 113.1 | T193 Y197 G198 W200 I207 L212 I219 A221 | T193-P195 VanDerWaalsContact C-N 3.27Å; P195-Y197 PolarHBondContact O-N 3.31Å; P195-Y197 VanDerWaalsContact O-N 3.09Å; P195-G198 PolarHBondContact O-N 2.87Å; P195-W200 PolarHBondContact O-NE1 3.38Å; P195-I207 HydrophobicContact CB-CD1 4.39Å; P195-L212 HydrophobicContact CG-CD1 3.57Å; P195-L212 HydrophobicContact CG-CD2 4.12Å; P195-L212 HydrophobicContact CG-CG 4.49Å; P195-I219 HydrophobicContact CB-CG2 4.44Å; P195-I219 HydrophobicContact CG-CG2 3.82Å; P195-A221 HydrophobicContact CB-CB 3.87Å |
| 196 | L | 89.1 | Confident | 91.2 | Very high | 45 Ų | 45 | 45.4 Ų | 45.4 | 24% | 0.236 | 25% | 0.245 | C | C | . | . | G | 310 helix | trans | -54 | -31.6 | 177.7 | -176.9 | 62.9 | 0 | 0 | 0 | 113.8 | T193 Y194 R220 L222 | T193-L196 WeakPolarHBondContact O-CB 3.33Å; T193-L196 PolarHBondContact O-N 3.47Å; Y194-L196 PolarHBondContact O-N 3.08Å; L196-R220 PolarHBondContact N-O 2.79Å; L196-L222 WeakPolarHBondContact CD1-O 3.5Å |
| 197 | Y | 80.3 | Confident | 90.9 | Very high | 89 Ų | 89 | 43 Ų | 43 | 35% | 0.349 | 24% | 0.237 | S | C | . | . | G | 310 helix | trans | -100.3 | -7.3 | -171.4 | -58.7 | -87.5 | 0 | 0 | 0 | 113.3 | C163 Y194 P195 | C163-Y197 PolarHBondContact SG-OH 3.3Å; Y194-Y197 PolarHBondContact O-N 3.02Å; P195-Y197 PolarHBondContact O-N 3.31Å; P195-Y197 VanDerWaalsContact O-N 3.09Å |
| 198 | G | 75.8 | Confident | 90.8 | Very high | 29 Ų | 29 | 43.8 Ų | 43.8 | 30% | 0.299 | 24% | 0.237 | S | C | . | . | S | Bend | trans | -86.3 | 159.5 | 178.3 | 0 | 0 | 0 | 0 | 0 | 112.9 | P195 W200 | P195-G198 PolarHBondContact O-N 2.87Å; G198-W200 PolarHBondContact O-N 3.48Å |
| 199 | S | 81.3 | Confident | 90.6 | Very high | 74 Ų | 74 | 44.9 Ų | 44.9 | 52% | 0.517 | 24% | 0.24 | S | C | . | . | G | 310 helix | trans | -75.5 | 21.5 | 169.3 | 54 | 0 | 0 | 0 | 0 | 113.2 | Y201 A202 K203 L206 | S199-Y201 PolarHBondContact O-N 3.39Å; S199-Y201 VanDerWaalsContact O-N 3.1Å; S199-A202 PolarHBondContact O-N 3.3Å; S199-A202 VanDerWaalsContact O-N 3.08Å; S199-K203 PolarHBondContact O-N 2.73Å; S199-L206 VanDerWaalsContact OG-CD1 3.25Å; S199-L206 WeakPolarHBondContact OG-CD1 3.35Å |
| 200 | W | 87.6 | Confident | 90.4 | Very high | 5 Ų | 5 | 50.5 Ų | 50.5 | 2% | 0.019 | 27% | 0.265 | C | S | . | . | G | 310 helix | trans | -56 | -34.7 | -175.1 | 81 | -85.1 | 0 | 0 | 0 | 111.6 | P195 G198 A202 K203 P204 I207 W209 A221 L222 R242 L246 | P195-W200 PolarHBondContact O-NE1 3.38Å; G198-W200 PolarHBondContact O-N 3.48Å; W200-A202 PolarHBondContact O-N 2.59Å; W200-K203 WeakPolarHBondContact CA-O 3.44Å; W200-K203 CarbonylContact O-C 3.52Å; W200-K203 PolarHBondContact O-N 3.45Å; W200-P204 WeakPolarHBondContact O-CA 3.43Å; W200-I207 HydrophobicContact CB-CB 4.38Å; W200-I207 HydrophobicContact CB-CD1 4.08Å; W200-I207 HydrophobicContact CB-CG1 3.23Å; W200-I207 HydrophobicContact CG-CG1 4.04Å; W200-W209 HydrophobicContact CD2-CH2 4.07Å; W200-W209 AromaticContact CD2-CZ2 3.95Å; W200-W209 HydrophobicContact CD2-CZ2 3.95Å; W200-W209 AromaticContact CE3-CH2 3.69Å; W200-W209 HydrophobicContact CE3-CH2 3.69Å; W200-W209 AromaticContact CE3-CZ2 3.34Å; W200-W209 HydrophobicContact CE3-CZ2 3.34Å; W200-W209 HydrophobicContact CH2-CH2 4.16Å; W200-W209 AromaticContact CZ3-CH2 3.71Å; W200-W209 HydrophobicContact CZ3-CH2 3.71Å; W200-W209 AromaticContact CZ3-CZ2 3.65Å; W200-W209 HydrophobicContact CZ3-CZ2 3.65Å; W200-A221 HydrophobicContact CH2-CB 4.1Å; W200-A221 HydrophobicContact CZ2-CB 3.37Å; W200-A221 VanDerWaalsContact CZ2-O 3.28Å; W200-A221 WeakPolarHBondContact CZ2-O 3.36Å; W200-A221 PolarHBondContact NE1-O 3.41Å; W200-L222 HydrophobicContact CH2-CD2 4.41Å; W200-L222 HydrophobicContact CZ2-CD2 3.92Å; W200-L222 HydrophobicContact CZ2-CG 4.44Å; W200-R242 VanDerWaalsContact CE3-CZ 3.46Å; W200-R242 HydrophobicContact CH2-CB 4.12Å; W200-R242 HydrophobicContact CH2-CG 3.92Å; W200-R242 HydrophobicContact CZ3-CB 4.05Å; W200-R242 HydrophobicContact CZ3-CG 3.8Å; W200-R242 PolarHBondContact O-NH1 2.94Å; W200-L246 HydrophobicContact CH2-CD1 4.47Å; W200-L246 HydrophobicContact CH2-CD2 3.97Å; W200-L246 HydrophobicContact CH2-CG 4.43Å; W200-L246 HydrophobicContact CZ3-CD2 4.38Å |
| 201 | Y | 85.1 | Confident | 90.3 | Very high | 85 Ų | 85 | 52.8 Ų | 52.8 | 33% | 0.333 | 27% | 0.274 | S | S | . | . | G | 310 helix | trans | -58.4 | -36 | -178 | -164.4 | -95.6 | 0 | 0 | 0 | 112.6 | S199 L222 G238 I241 R242 | S199-Y201 PolarHBondContact O-N 3.39Å; S199-Y201 VanDerWaalsContact O-N 3.1Å; Y201-L222 HydrophobicContact CD2-CD2 3.96Å; Y201-L222 HydrophobicContact CE2-CD2 3.82Å; Y201-G238 WeakPolarHBondContact OH-CA 3.48Å; Y201-I241 HydrophobicContact CE1-CD1 4.39Å; Y201-I241 HydrophobicContact CE1-CG2 3.92Å; Y201-I241 HydrophobicContact CE2-CG2 4.44Å; Y201-I241 VanDerWaalsContact OH-CB 3.29Å; Y201-I241 WeakPolarHBondContact OH-CB 3.5Å; Y201-I241 WeakPolarHBondContact OH-CD1 2.9Å; Y201-R242 HydrophobicContact CD2-CG 3.86Å; Y201-R242 HydrophobicContact CE2-CG 3.73Å; Y201-R242 PolarHBondContact O-NH1 3.49Å |
| 202 | A | 88.7 | Confident | 90.1 | Very high | 85 Ų | 85 | 52.8 Ų | 52.8 | 70% | 0.702 | 27% | 0.273 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -88.8 | -27.2 | 173.2 | 0 | 0 | 0 | 0 | 0 | 113 | S199 W200 | S199-A202 PolarHBondContact O-N 3.3Å; S199-A202 VanDerWaalsContact O-N 3.08Å; W200-A202 PolarHBondContact O-N 2.59Å |
| 203 | K | 89.6 | Confident | 90 | Very high | 112 Ų | 112 | 54.3 Ų | 54.3 | 49% | 0.487 | 28% | 0.281 | S | S | . | . | trans | -134.2 | 79.3 | -175.4 | -67.8 | -174.2 | 179.4 | -176.1 | 0 | 111.2 | S199 W200 E205 L206 | S199-K203 PolarHBondContact O-N 2.73Å; W200-K203 WeakPolarHBondContact CA-O 3.44Å; W200-K203 CarbonylContact O-C 3.52Å; W200-K203 PolarHBondContact O-N 3.45Å; K203-E205 WeakPolarHBondContact CA-OE2 3.45Å; K203-E205 WeakPolarHBondContact CB-OE1 3.17Å; K203-E205 PolarHBondContact O-N 3.13Å; K203-L206 HydrophobicContact CB-CD1 3.64Å; K203-L206 HydrophobicContact CB-CG 3.74Å; K203-L206 HydrophobicContact CD-CD1 3.94Å; K203-L206 HydrophobicContact CD-CG 4.42Å; K203-L206 HydrophobicContact CG-CD1 4.42Å; K203-L206 WeakPolarHBondContact O-CB 3.36Å; K203-L206 PolarHBondContact O-N 2.99Å; K203-L206 VanDerWaalsContact O-N 3.1Å | ||
| 204 | P | 89.8 | Confident | 89.9 | Confident | 31 Ų | 31 | 56.7 Ų | 56.7 | 20% | 0.201 | 29% | 0.293 | C | S | . | . | G | 310 helix | trans | -44.9 | -39.2 | -178.6 | -21.8 | 18.4 | 0 | 0 | 0 | 115.6 | W200 L206 I207 W209 R242 V245 | W200-P204 WeakPolarHBondContact O-CA 3.43Å; P204-L206 PolarHBondContact O-N 2.87Å; P204-I207 PolarHBondContact O-N 3.46Å; P204-W209 PolarHBondContact O-NE1 3.27Å; P204-R242 VanDerWaalsContact CA-NH2 3.27Å; P204-R242 VanDerWaalsContact CG-NH2 3.28Å; P204-V245 HydrophobicContact CB-CG2 4.09Å |
| 205 | E | 90.5 | Very high | 90.1 | Very high | 135 Ų | 135 | 56.6 Ų | 56.6 | 63% | 0.631 | 29% | 0.294 | S | S | * | . | G | 310 helix | trans | -69.8 | -14 | -172.5 | 69.2 | -77.1 | 178.7 | 0 | 0 | 113.4 | K203 I207 | K203-E205 WeakPolarHBondContact CA-OE2 3.45Å; K203-E205 WeakPolarHBondContact CB-OE1 3.17Å; K203-E205 PolarHBondContact O-N 3.13Å; E205-I207 PolarHBondContact O-N 3.45Å |
| 206 | L | 89.5 | Confident | 90.3 | Very high | 100 Ų | 100 | 56.7 Ų | 56.7 | 52% | 0.524 | 29% | 0.294 | S | S | . | . | G | 310 helix | trans | -72.8 | -15.9 | 174.3 | -65 | -178.4 | 0 | 0 | 0 | 113.1 | S199 K203 P204 | S199-L206 VanDerWaalsContact OG-CD1 3.25Å; S199-L206 WeakPolarHBondContact OG-CD1 3.35Å; K203-L206 HydrophobicContact CB-CD1 3.64Å; K203-L206 HydrophobicContact CB-CG 3.74Å; K203-L206 HydrophobicContact CD-CD1 3.94Å; K203-L206 HydrophobicContact CD-CG 4.42Å; K203-L206 HydrophobicContact CG-CD1 4.42Å; K203-L206 WeakPolarHBondContact O-CB 3.36Å; K203-L206 PolarHBondContact O-N 2.99Å; K203-L206 VanDerWaalsContact O-N 3.1Å; P204-L206 PolarHBondContact O-N 2.87Å |
| 207 | I | 92.3 | Very high | 90.8 | Very high | 16 Ų | 16 | 54.6 Ų | 54.6 | 8% | 0.082 | 28% | 0.283 | C | S | . | . | S | Bend | trans | -105.5 | 123.6 | 177 | -61.7 | -64.9 | 0 | 0 | 0 | 109.1 | Y194 P195 W200 P204 E205 W209 L212 | Y194-I207 HydrophobicContact CD2-CD1 4.38Å; Y194-I207 HydrophobicContact CE2-CD1 3.85Å; P195-I207 HydrophobicContact CB-CD1 4.39Å; W200-I207 HydrophobicContact CB-CB 4.38Å; W200-I207 HydrophobicContact CB-CD1 4.08Å; W200-I207 HydrophobicContact CB-CG1 3.23Å; W200-I207 HydrophobicContact CG-CG1 4.04Å; P204-I207 PolarHBondContact O-N 3.46Å; E205-I207 PolarHBondContact O-N 3.45Å; I207-W209 VanDerWaalsContact C-N 3.34Å; I207-W209 HydrophobicContact CB-CD2 4.45Å; I207-W209 HydrophobicContact CB-CZ2 3.99Å; I207-W209 HydrophobicContact CG1-CZ2 4.39Å; I207-W209 HydrophobicContact CG2-CD2 3.82Å; I207-W209 HydrophobicContact CG2-CE3 4.2Å; I207-W209 HydrophobicContact CG2-CG 4.21Å; I207-W209 HydrophobicContact CG2-CH2 4.33Å; I207-W209 HydrophobicContact CG2-CZ2 3.91Å; I207-W209 HydrophobicContact CG2-CZ3 4.46Å; I207-W209 PolarHBondContact O-N 3.33Å; I207-W209 PolarHBondContact O-NE1 3.16Å; I207-L212 HydrophobicContact CG2-CD1 3.43Å; I207-L212 VanDerWaalsContact CG2-CD1 3.43Å |
| 208 | D | 94.6 | Very high | 91.6 | Very high | 92 Ų | 92 | 50.3 Ų | 50.3 | 49% | 0.492 | 27% | 0.266 | S | S | . | . | trans | -75.5 | 89.5 | 165.4 | -172.8 | -15.7 | 0 | 0 | 0 | 109.7 | K210 R211 L212 | D208-K210 PolarHBondContact O-N 2.71Å; D208-K210 WeakPolarHBondContact OD1-CB 2.91Å; D208-K210 PolarHBondContact OD1-N 3.16Å; D208-K210 VanDerWaalsContact OD1-N 3.08Å; D208-R211 HydrophobicContact CB-CB 3.79Å; D208-R211 WeakPolarHBondContact O-CB 3.11Å; D208-R211 PolarHBondContact O-N 3.19Å; D208-R211 PolarHBondContact OD1-N 2.66Å; D208-R211 WeakPolarHBondContact OD2-CB 3.43Å; D208-L212 PolarHBondContact O-N 2.82Å; D208-L212 VanDerWaalsContact O-N 3.16Å | ||
| 209 | W | 94.2 | Very high | 92.6 | Very high | 28 Ų | 28 | 49 Ų | 49 | 11% | 0.106 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -63.6 | -31 | 178.2 | -63.3 | 95.7 | 0 | 0 | 0 | 112.8 | W200 P204 I207 R211 L212 Q213 I219 A221 V245 L246 V249 | W200-W209 HydrophobicContact CD2-CH2 4.07Å; W200-W209 AromaticContact CD2-CZ2 3.95Å; W200-W209 HydrophobicContact CD2-CZ2 3.95Å; W200-W209 AromaticContact CE3-CH2 3.69Å; W200-W209 HydrophobicContact CE3-CH2 3.69Å; W200-W209 AromaticContact CE3-CZ2 3.34Å; W200-W209 HydrophobicContact CE3-CZ2 3.34Å; W200-W209 HydrophobicContact CH2-CH2 4.16Å; W200-W209 AromaticContact CZ3-CH2 3.71Å; W200-W209 HydrophobicContact CZ3-CH2 3.71Å; W200-W209 AromaticContact CZ3-CZ2 3.65Å; W200-W209 HydrophobicContact CZ3-CZ2 3.65Å; P204-W209 PolarHBondContact O-NE1 3.27Å; I207-W209 VanDerWaalsContact C-N 3.34Å; I207-W209 HydrophobicContact CB-CD2 4.45Å; I207-W209 HydrophobicContact CB-CZ2 3.99Å; I207-W209 HydrophobicContact CG1-CZ2 4.39Å; I207-W209 HydrophobicContact CG2-CD2 3.82Å; I207-W209 HydrophobicContact CG2-CE3 4.2Å; I207-W209 HydrophobicContact CG2-CG 4.21Å; I207-W209 HydrophobicContact CG2-CH2 4.33Å; I207-W209 HydrophobicContact CG2-CZ2 3.91Å; I207-W209 HydrophobicContact CG2-CZ3 4.46Å; I207-W209 PolarHBondContact O-N 3.33Å; I207-W209 PolarHBondContact O-NE1 3.16Å; W209-R211 VanDerWaalsContact C-N 3.35Å; W209-L212 HydrophobicContact CE3-CD1 3.99Å; W209-L212 HydrophobicContact CZ3-CD1 4.23Å; W209-L212 PolarHBondContact O-N 2.87Å; W209-Q213 WeakPolarHBondContact O-CG 3.25Å; W209-Q213 PolarHBondContact O-N 3.06Å; W209-I219 HydrophobicContact CZ3-CG2 4.36Å; W209-A221 HydrophobicContact CH2-CB 4.29Å; W209-V245 HydrophobicContact CD2-CG1 3.93Å; W209-V245 HydrophobicContact CG-CG1 4.34Å; W209-V245 HydrophobicContact CH2-CG1 4.43Å; W209-V245 HydrophobicContact CZ2-CG1 3.86Å; W209-L246 HydrophobicContact CH2-CD2 4.35Å; W209-L246 HydrophobicContact CZ3-CD2 4.43Å; W209-V249 HydrophobicContact CB-CG1 3.66Å; W209-V249 HydrophobicContact CD2-CG1 4.27Å; W209-V249 HydrophobicContact CE3-CB 4.42Å; W209-V249 HydrophobicContact CE3-CG1 4.32Å; W209-V249 HydrophobicContact CE3-CG2 3.95Å; W209-V249 HydrophobicContact CG-CG1 4Å; W209-V249 HydrophobicContact CZ3-CG2 4.4Å |
| 210 | K | 94.4 | Very high | 93.3 | Very high | 120 Ų | 120 | 45.7 Ų | 45.7 | 52% | 0.522 | 23% | 0.228 | S | C | . | . | H | α-helix | trans | -69.2 | -39.9 | 179.1 | -175.8 | 54.3 | 174.5 | 168.1 | 0 | 110.3 | D208 L212 Q213 N214 | D208-K210 PolarHBondContact O-N 2.71Å; D208-K210 WeakPolarHBondContact OD1-CB 2.91Å; D208-K210 PolarHBondContact OD1-N 3.16Å; D208-K210 VanDerWaalsContact OD1-N 3.08Å; K210-L212 VanDerWaalsContact C-N 3.35Å; K210-Q213 PolarHBondContact O-N 3.01Å; K210-N214 WeakPolarHBondContact CE-OD1 3.34Å; K210-N214 PolarHBondContact NZ-OD1 3Å; K210-N214 WeakPolarHBondContact O-CB 3.41Å; K210-N214 PolarHBondContact O-N 3.23Å; K210-N214 PolarHBondContact O-ND2 3.25Å; K210-N214 PolarHBondContact O-OD1 3.35Å |
| 211 | R | 95.3 | Very high | 93.4 | Very high | 49 Ų | 49 | 45.8 Ų | 45.8 | 19% | 0.185 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -58.6 | -45.3 | 171.3 | -177 | 178.9 | -163.9 | 168.9 | 8.8 | 111.9 | P171 D172 E175 D208 W209 N214 N215 | P171-R211 VanDerWaalsContact O-CZ 3.31Å; P171-R211 PolarHBondContact O-NE 3.38Å; P171-R211 PolarHBondContact O-NH2 3.19Å; D172-R211 IonicContact OD1-CZ 2.73Å; D172-R211 IonicContact OD1-NH1 2.71Å; D172-R211 PolarHBondContact OD1-NH1 2.91Å; D172-R211 IonicContact OD1-NH2 2.59Å; D172-R211 PolarHBondContact OD1-NH2 3.47Å; E175-R211 IonicContact OE2-CZ 3.95Å; E175-R211 IonicContact OE2-NE 2.87Å; E175-R211 PolarHBondContact OE2-NE 3.38Å; E175-R211 IonicContact OE2-NH2 3.21Å; E175-R211 PolarHBondContact OE2-NH2 3.22Å; D208-R211 HydrophobicContact CB-CB 3.79Å; D208-R211 WeakPolarHBondContact O-CB 3.11Å; D208-R211 PolarHBondContact O-N 3.19Å; D208-R211 PolarHBondContact OD1-N 2.66Å; D208-R211 WeakPolarHBondContact OD2-CB 3.43Å; W209-R211 VanDerWaalsContact C-N 3.35Å; R211-N214 PolarHBondContact O-N 3.18Å; R211-N215 WeakPolarHBondContact O-CB 3.31Å; R211-N215 PolarHBondContact O-N 3.5Å; R211-N215 PolarHBondContact O-ND2 3.32Å |
| 212 | L | 95 | Very high | 93.8 | Very high | 1 Ų | 1 | 42 Ų | 42 | 1% | 0.005 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -60 | -50.4 | 175.2 | -77.3 | 164.4 | 0 | 0 | 0 | 112 | C192 Y194 P195 I207 D208 W209 K210 N214 N215 C216 I219 | C192-L212 HydrophobicContact CB-CD2 4.09Å; Y194-L212 HydrophobicContact CD1-CD2 4.07Å; Y194-L212 HydrophobicContact CE1-CD2 3.25Å; Y194-L212 HydrophobicContact CE1-CG 4.02Å; Y194-L212 VanDerWaalsContact OH-CG 3.3Å; Y194-L212 WeakPolarHBondContact OH-CG 3.39Å; P195-L212 HydrophobicContact CG-CD1 3.57Å; P195-L212 HydrophobicContact CG-CD2 4.12Å; P195-L212 HydrophobicContact CG-CG 4.49Å; I207-L212 HydrophobicContact CG2-CD1 3.43Å; I207-L212 VanDerWaalsContact CG2-CD1 3.43Å; D208-L212 PolarHBondContact O-N 2.82Å; D208-L212 VanDerWaalsContact O-N 3.16Å; W209-L212 HydrophobicContact CE3-CD1 3.99Å; W209-L212 HydrophobicContact CZ3-CD1 4.23Å; W209-L212 PolarHBondContact O-N 2.87Å; K210-L212 VanDerWaalsContact C-N 3.35Å; L212-N214 PolarHBondContact O-N 3.01Å; L212-N215 PolarHBondContact O-N 3.17Å; L212-C216 VanDerWaalsContact O-CB 3.26Å; L212-C216 WeakPolarHBondContact O-CB 3.37Å; L212-C216 PolarHBondContact O-N 2.78Å; L212-I219 HydrophobicContact CB-CD1 3.58Å; L212-I219 HydrophobicContact CB-CG1 4.15Å; L212-I219 HydrophobicContact CD1-CD1 4.2Å; L212-I219 HydrophobicContact CD1-CG2 4.07Å; L212-I219 HydrophobicContact CD2-CG1 4.33Å; L212-I219 HydrophobicContact CD2-CG2 4.42Å; L212-I219 HydrophobicContact CG-CD1 4.34Å |
| 213 | Q | 94.5 | Very high | 93.8 | Very high | 33 Ų | 33 | 42 Ų | 42 | 15% | 0.154 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -57.4 | -35.3 | 178.4 | -73 | -177.5 | -49.5 | 0 | 0 | 113 | W209 K210 N215 V249 H254 | W209-Q213 WeakPolarHBondContact O-CG 3.25Å; W209-Q213 PolarHBondContact O-N 3.06Å; K210-Q213 PolarHBondContact O-N 3.01Å; Q213-N215 VanDerWaalsContact C-N 3.33Å; Q213-V249 HydrophobicContact CG-CB 4.41Å; Q213-V249 VanDerWaalsContact NE2-CA 3.27Å; Q213-V249 PolarHBondContact NE2-O 3.24Å; Q213-H254 HydrophobicContact CB-CB 4.45Å; Q213-H254 HydrophobicContact CG-CB 4.38Å; Q213-H254 PolarHBondContact NE2-CE1 3.05Å; Q213-H254 VanDerWaalsContact NE2-CE1 3.29Å; Q213-H254 PolarHBondContact NE2-ND1 3.13Å |
| 214 | N | 95.2 | Very high | 93.9 | Very high | 52 Ų | 52 | 39.3 Ų | 39.3 | 28% | 0.278 | 20% | 0.2 | S | C | . | . | H | α-helix | trans | -78.8 | -15.8 | -179.5 | -68.3 | -15.2 | 0 | 0 | 0 | 113.4 | L22 K210 R211 L212 | L22-N214 WeakPolarHBondContact CA-O 3.47Å; L22-N214 WeakPolarHBondContact CB-O 3.39Å; L22-N214 PolarHBondContact N-O 2.83Å; K210-N214 WeakPolarHBondContact CE-OD1 3.34Å; K210-N214 PolarHBondContact NZ-OD1 3Å; K210-N214 WeakPolarHBondContact O-CB 3.41Å; K210-N214 PolarHBondContact O-N 3.23Å; K210-N214 PolarHBondContact O-ND2 3.25Å; K210-N214 PolarHBondContact O-OD1 3.35Å; R211-N214 PolarHBondContact O-N 3.18Å; L212-N214 PolarHBondContact O-N 3.01Å |
| 215 | N | 96.6 | Very high | 93.9 | Very high | 8 Ų | 8 | 37.8 Ų | 37.8 | 4% | 0.043 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -128.1 | -8 | -169.7 | -68.2 | -67.9 | 0 | 0 | 0 | 114.2 | L22 E175 S178 F190 R211 L212 Q213 | L22-N215 VanDerWaalsContact CD2-C 3.45Å; L22-N215 WeakPolarHBondContact CD2-O 3.34Å; E175-N215 WeakPolarHBondContact CG-OD1 3.43Å; S178-N215 WeakPolarHBondContact CB-O 3.28Å; S178-N215 PolarHBondContact OG-O 2.98Å; F190-N215 VanDerWaalsContact CD1-O 3.29Å; F190-N215 WeakPolarHBondContact CD1-O 3.48Å; R211-N215 WeakPolarHBondContact O-CB 3.31Å; R211-N215 PolarHBondContact O-N 3.5Å; R211-N215 PolarHBondContact O-ND2 3.32Å; L212-N215 PolarHBondContact O-N 3.17Å; Q213-N215 VanDerWaalsContact C-N 3.33Å |
| 216 | C | 97.6 | Very high | 94 | Very high | 2 Ų | 2 | 36.7 Ų | 36.7 | 1% | 0.014 | 18% | 0.183 | C | C | . | . | trans | -134.7 | 135.1 | -174 | -54.1 | 0 | 0 | 0 | 0 | 109.9 | C192 L212 I219 | C192-C216 HydrophobicContact CB-CB 3.74Å; C192-C216 WeakPolarHBondContact CB-SG 3.31Å; C192-C216 WeakPolarHBondContact SG-CB 3.41Å; C192-C216 CovalentContact SG-SG 2.02Å; C192-C216 PolarHBondContact SG-SG 2.83Å; L212-C216 VanDerWaalsContact O-CB 3.26Å; L212-C216 WeakPolarHBondContact O-CB 3.37Å; L212-C216 PolarHBondContact O-N 2.78Å; C216-I219 HydrophobicContact CB-CG1 4.31Å | ||
| 217 | N | 98.2 | Very high | 94.1 | Very high | 0 Ų | 0 | 33.4 Ų | 33.4 | 0% | 0 | 17% | 0.169 | C | C | . | . | S | Bend | trans | -78.4 | -28.7 | 170.9 | -67 | 119.6 | 0 | 0 | 0 | 112.7 | N24 A27 M189 F190 G253 H254 W255 | N24-N217 PolarHBondContact ND2-OD1 2.88Å; N24-N217 PolarHBondContact OD1-ND2 2.89Å; A27-N217 HydrophobicContact CB-CB 4.04Å; M189-N217 WeakPolarHBondContact CA-OD1 3.31Å; M189-N217 HydrophobicContact CG-CB 3.83Å; F190-N217 PolarHBondContact N-OD1 2.82Å; F190-N217 PolarHBondContact O-N 2.77Å; N217-G253 VanDerWaalsContact CA-O 3.26Å; N217-G253 WeakPolarHBondContact CA-O 3.42Å; N217-G253 PolarHBondContact ND2-O 2.82Å; N217-G253 VanDerWaalsContact ND2-O 3.08Å; N217-H254 CarbonylContact O-C 3.57Å; N217-H254 WeakPolarHBondContact O-CA 3.44Å; N217-W255 PolarHBondContact O-N 2.68Å |
| 218 | L | 97.9 | Very high | 94.3 | Very high | 0 Ų | 0 | 34.9 Ų | 34.9 | 0% | 0 | 18% | 0.181 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.2 | 150 | 179.8 | -58.9 | 174.4 | 0 | 0 | 0 | 109.9 | P31 Y157 M189 F190 L191 C192 W255 P286 | P31-L218 HydrophobicContact CG-CD1 3.82Å; P31-L218 HydrophobicContact CG-CD2 4.02Å; P31-L218 HydrophobicContact CG-CG 4.4Å; Y157-L218 HydrophobicContact CE2-CD1 3.62Å; Y157-L218 VanDerWaalsContact OH-CD1 3.25Å; Y157-L218 WeakPolarHBondContact OH-CD1 3.29Å; M189-L218 HydrophobicContact SD-CD1 4.09Å; M189-L218 HydrophobicContact SD-CG 4.43Å; F190-L218 PolarHBondContact O-N 2.8Å; F190-L218 VanDerWaalsContact O-N 3.08Å; L191-L218 HydrophobicContact CB-CB 3.95Å; L191-L218 HydrophobicContact CB-CD1 4.21Å; L191-L218 HydrophobicContact CD1-CB 3.41Å; L191-L218 VanDerWaalsContact CD1-CB 3.41Å; L191-L218 HydrophobicContact CG-CB 4.22Å; C192-L218 PolarHBondContact N-O 2.83Å; L218-W255 CarbonylContact C-O 3.56Å; L218-W255 VanDerWaalsContact CA-O 3.31Å; L218-W255 WeakPolarHBondContact CA-O 3.43Å; L218-W255 HydrophobicContact CD2-CB 3.63Å; L218-W255 HydrophobicContact CD2-CG 4.06Å; L218-P286 HydrophobicContact CD1-CG 4.04Å; L218-P286 HydrophobicContact CD2-CG 3.5Å; L218-P286 VanDerWaalsContact CD2-CG 3.5Å; L218-P286 HydrophobicContact CG-CG 4.36Å |
| 219 | I | 96.7 | Very high | 94.3 | Very high | 1 Ų | 1 | 32.8 Ų | 32.8 | 1% | 0.005 | 17% | 0.166 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.3 | 114.8 | -179.4 | -55 | 165.4 | 0 | 0 | 0 | 109.6 | C192 P195 W209 L212 C216 A221 W255 D257 | C192-I219 WeakPolarHBondContact O-CA 3.29Å; P195-I219 HydrophobicContact CB-CG2 4.44Å; P195-I219 HydrophobicContact CG-CG2 3.82Å; W209-I219 HydrophobicContact CZ3-CG2 4.36Å; L212-I219 HydrophobicContact CB-CD1 3.58Å; L212-I219 HydrophobicContact CB-CG1 4.15Å; L212-I219 HydrophobicContact CD1-CD1 4.2Å; L212-I219 HydrophobicContact CD1-CG2 4.07Å; L212-I219 HydrophobicContact CD2-CG1 4.33Å; L212-I219 HydrophobicContact CD2-CG2 4.42Å; L212-I219 HydrophobicContact CG-CD1 4.34Å; C216-I219 HydrophobicContact CB-CG1 4.31Å; I219-A221 HydrophobicContact CG2-CB 4.4Å; I219-W255 PolarHBondContact N-O 2.9Å; I219-D257 PolarHBondContact O-N 2.62Å |
| 220 | R | 95.3 | Very high | 94.4 | Very high | 4 Ų | 4 | 35 Ų | 35 | 2% | 0.015 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90 | 111.1 | 168.7 | -80.6 | -70.8 | -60.2 | -83 | 1.4 | 109.4 | L191 C192 T193 L196 N224 D257 D259 | L191-R220 HydrophobicContact CD1-CB 4.14Å; L191-R220 HydrophobicContact CD1-CG 3.58Å; L191-R220 HydrophobicContact CD2-CG 3.96Å; L191-R220 HydrophobicContact CG-CG 4.24Å; C192-R220 PolarHBondContact O-N 2.89Å; T193-R220 HydrophobicContact CG2-CB 4.02Å; T193-R220 HydrophobicContact CG2-CG 4.39Å; L196-R220 PolarHBondContact N-O 2.79Å; R220-N224 PolarHBondContact NH2-OD1 3.47Å; R220-D257 VanDerWaalsContact CD-O 3.27Å; R220-D257 WeakPolarHBondContact CD-O 3.25Å; R220-D257 WeakPolarHBondContact CD-OD1 3.16Å; R220-D257 WeakPolarHBondContact CD-OD2 3.27Å; R220-D257 HydrophobicContact CG-CB 3.81Å; R220-D257 VanDerWaalsContact CG-OD2 3.28Å; R220-D257 WeakPolarHBondContact CG-OD2 3.48Å; R220-D259 VanDerWaalsContact CZ-CB 3.4Å; R220-D259 IonicContact CZ-OD1 2.71Å; R220-D259 IonicContact CZ-OD2 2.76Å; R220-D259 IonicContact NH1-OD1 3.61Å; R220-D259 PolarHBondContact NH1-OD1 2.64Å; R220-D259 IonicContact NH1-OD2 2.66Å; R220-D259 IonicContact NH2-OD1 3.5Å; R220-D259 PolarHBondContact NH2-OD1 3.16Å; R220-D259 IonicContact NH2-OD2 3.37Å; R220-D259 PolarHBondContact NH2-OD2 3.43Å |
| 221 | A | 91.2 | Very high | 94.5 | Very high | 7 Ų | 7 | 30.1 Ų | 30.1 | 6% | 0.058 | 17% | 0.171 | C | C | . | . | trans | -121.6 | -15.2 | -177.8 | 0 | 0 | 0 | 0 | 0 | 114.1 | P195 W200 W209 I219 | P195-A221 HydrophobicContact CB-CB 3.87Å; W200-A221 HydrophobicContact CH2-CB 4.1Å; W200-A221 HydrophobicContact CZ2-CB 3.37Å; W200-A221 VanDerWaalsContact CZ2-O 3.28Å; W200-A221 WeakPolarHBondContact CZ2-O 3.36Å; W200-A221 PolarHBondContact NE1-O 3.41Å; W209-A221 HydrophobicContact CH2-CB 4.29Å; I219-A221 HydrophobicContact CG2-CB 4.4Å | ||
| 222 | L | 91.9 | Very high | 94.6 | Very high | 6 Ų | 6 | 27.8 Ų | 27.8 | 3% | 0.031 | 16% | 0.162 | C | C | . | . | S | Bend | trans | -110.4 | 159.8 | 179.9 | -68 | -179.2 | 0 | 0 | 0 | 112 | L196 W200 Y201 I235 Y239 | L196-L222 WeakPolarHBondContact CD1-O 3.5Å; W200-L222 HydrophobicContact CH2-CD2 4.41Å; W200-L222 HydrophobicContact CZ2-CD2 3.92Å; W200-L222 HydrophobicContact CZ2-CG 4.44Å; Y201-L222 HydrophobicContact CD2-CD2 3.96Å; Y201-L222 HydrophobicContact CE2-CD2 3.82Å; L222-I235 HydrophobicContact CD1-CG2 4.14Å; L222-Y239 HydrophobicContact CD1-CD2 3.34Å; L222-Y239 HydrophobicContact CD1-CE2 3.41Å; L222-Y239 VanDerWaalsContact CD1-CE2 3.41Å; L222-Y239 HydrophobicContact CD1-CG 4.46Å |
| 223 | P | 90.4 | Very high | 94.6 | Very high | 85 Ų | 85 | 28.9 Ų | 28.9 | 55% | 0.552 | 17% | 0.168 | S | C | * | . | P | Polyproline II helix | trans | -52 | 163.2 | -177.4 | -28.1 | 36.3 | 0 | 0 | 0 | 114.4 | S225 | P223-S225 PolarHBondContact O-N 3.48Š|
| 224 | N | 90.9 | Very high | 94.7 | Very high | 55 Ų | 55 | 29.2 Ų | 29.2 | 29% | 0.294 | 18% | 0.18 | S | C | . | . | P | Polyproline II helix | trans | -59.5 | 135.5 | 173.1 | -67.5 | -14.2 | 0 | 0 | 0 | 111 | R220 F226 S231 D259 | R220-N224 PolarHBondContact NH2-OD1 3.47Å; N224-F226 HydrophobicContact CB-CE2 4Å; N224-F226 HydrophobicContact CB-CZ 3.92Å; N224-F226 WeakPolarHBondContact O-CD2 3.45Å; N224-F226 WeakPolarHBondContact O-CE2 3.18Å; N224-S231 PolarHBondContact O-OG 2.75Å; N224-D259 WeakPolarHBondContact CA-OD2 3.43Å |
| 225 | S | 90.3 | Very high | 94.8 | Very high | 0 Ų | 0 | 26.9 Ų | 26.9 | 0% | 0 | 17% | 0.168 | C | C | . | . | P | Polyproline II helix | trans | -63 | 148.1 | 163.5 | 60.3 | 0 | 0 | 0 | 0 | 109.8 | Q38 P223 S231 D259 M260 | Q38-S225 PolarHBondContact NE2-O 3.35Å; Q38-S225 PolarHBondContact OE1-O 2.68Å; P223-S225 PolarHBondContact O-N 3.48Å; S225-S231 WeakPolarHBondContact CA-OG 3.47Å; S225-D259 WeakPolarHBondContact CB-OD2 3.39Å; S225-D259 PolarHBondContact N-OD2 3.19Å; S225-D259 PolarHBondContact OG-OD2 3.03Å; S225-M260 PolarHBondContact OG-N 3.3Å; S225-M260 PolarHBondContact OG-O 3.27Å |
| 226 | F | 92.7 | Very high | 94.9 | Very high | 111 Ų | 111 | 26.5 Ų | 26.5 | 49% | 0.487 | 17% | 0.166 | S | C | . | . | trans | -141.4 | 160.9 | 170.4 | -63.2 | -76.2 | 0 | 0 | 0 | 108.1 | N224 S228 S231 | N224-F226 HydrophobicContact CB-CE2 4Å; N224-F226 HydrophobicContact CB-CZ 3.92Å; N224-F226 WeakPolarHBondContact O-CD2 3.45Å; N224-F226 WeakPolarHBondContact O-CE2 3.18Å; F226-S228 PolarHBondContact O-N 3.5Å; F226-S231 PolarHBondContact N-OG 2.97Å | ||
| 227 | S | 91.6 | Very high | 94.9 | Very high | 32 Ų | 32 | 29 Ų | 29 | 22% | 0.224 | 18% | 0.179 | C | C | . | . | S | Bend | trans | -76.7 | 61.4 | 177.7 | -157.2 | 0 | 0 | 0 | 0 | 112.2 | N265 N266 G267 | S227-N265 WeakPolarHBondContact OG-CB 3.37Å; S227-N266 WeakPolarHBondContact CB-O 3.46Å; S227-N266 PolarHBondContact OG-O 3.42Å; S227-G267 WeakPolarHBondContact O-CA 3.46Å |
| 228 | S | 95.4 | Very high | 94.8 | Very high | 47 Ų | 47 | 29 Ų | 29 | 33% | 0.329 | 18% | 0.18 | S | C | . | . | S | Bend | trans | -149.1 | 147.3 | 177.4 | 73.3 | 0 | 0 | 0 | 0 | 111.1 | F226 A230 S231 V232 L268 | F226-S228 PolarHBondContact O-N 3.5Å; S228-A230 VanDerWaalsContact C-N 3.29Å; S228-A230 PolarHBondContact O-N 2.76Å; S228-S231 PolarHBondContact O-N 2.76Å; S228-S231 PolarHBondContact OG-N 3.07Å; S228-V232 PolarHBondContact O-N 3.36Å; S228-L268 VanDerWaalsContact C-CD2 3.46Å |
| 229 | W | 95.4 | Very high | 94.7 | Very high | 47 Ų | 47 | 29.3 Ų | 29.3 | 18% | 0.178 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -59.1 | -40.9 | 179.8 | 176.4 | -124.9 | 0 | 0 | 0 | 112.6 | S231 V232 I233 L268 Q272 V275 | W229-S231 VanDerWaalsContact C-N 3.25Å; W229-S231 PolarHBondContact O-N 3.46Å; W229-V232 HydrophobicContact CE3-CB 4.29Å; W229-V232 HydrophobicContact CE3-CG1 4.37Å; W229-V232 HydrophobicContact CZ3-CG1 4.14Å; W229-V232 PolarHBondContact O-N 2.94Å; W229-I233 HydrophobicContact CD2-CB 4.36Å; W229-I233 HydrophobicContact CH2-CB 4.21Å; W229-I233 HydrophobicContact CH2-CD1 3.94Å; W229-I233 HydrophobicContact CH2-CG1 4.39Å; W229-I233 HydrophobicContact CZ2-CB 3.96Å; W229-I233 HydrophobicContact CZ2-CD1 3.95Å; W229-I233 HydrophobicContact CZ2-CG1 4.03Å; W229-I233 HydrophobicContact CZ3-CB 4.48Å; W229-I233 WeakPolarHBondContact O-CG2 3.14Å; W229-I233 PolarHBondContact O-N 2.81Å; W229-L268 HydrophobicContact CB-CD2 4.41Å; W229-Q272 HydrophobicContact CD2-CG 3.79Å; W229-Q272 HydrophobicContact CE3-CB 3.76Å; W229-Q272 HydrophobicContact CE3-CG 3.5Å; W229-Q272 VanDerWaalsContact CE3-CG 3.5Å; W229-Q272 HydrophobicContact CG-CG 4.26Å; W229-Q272 HydrophobicContact CZ3-CB 4.08Å; W229-Q272 HydrophobicContact CZ3-CG 3.94Å; W229-V275 HydrophobicContact CH2-CB 4.13Å; W229-V275 HydrophobicContact CH2-CG1 3.85Å; W229-V275 HydrophobicContact CH2-CG2 3.99Å; W229-V275 HydrophobicContact CZ3-CB 3.93Å; W229-V275 HydrophobicContact CZ3-CG1 3.86Å; W229-V275 HydrophobicContact CZ3-CG2 4.17Å |
| 230 | A | 95.7 | Very high | 94.7 | Very high | 75 Ų | 75 | 32.2 Ų | 32.2 | 62% | 0.62 | 19% | 0.193 | S | C | * | . | H | α-helix | trans | -58.8 | -36.1 | 179.1 | 0 | 0 | 0 | 0 | 0 | 112.7 | S228 G234 | S228-A230 VanDerWaalsContact C-N 3.29Å; S228-A230 PolarHBondContact O-N 2.76Å; A230-G234 PolarHBondContact O-N 2.83Å |
| 231 | S | 96.5 | Very high | 94.7 | Very high | 17 Ų | 17 | 36.8 Ų | 36.8 | 12% | 0.119 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -70.7 | -49 | 176.2 | 177.8 | 0 | 0 | 0 | 0 | 111.8 | N224 S225 F226 S228 W229 G234 I235 | N224-S231 PolarHBondContact O-OG 2.75Å; S225-S231 WeakPolarHBondContact CA-OG 3.47Å; F226-S231 PolarHBondContact N-OG 2.97Å; S228-S231 PolarHBondContact O-N 2.76Å; S228-S231 PolarHBondContact OG-N 3.07Å; W229-S231 VanDerWaalsContact C-N 3.25Å; W229-S231 PolarHBondContact O-N 3.46Å; S231-G234 PolarHBondContact O-N 3.29Å; S231-I235 WeakPolarHBondContact O-CG1 3.5Å; S231-I235 PolarHBondContact O-N 3.22Å |
| 232 | V | 96.8 | Very high | 94.9 | Very high | 1 Ų | 1 | 36.8 Ų | 36.8 | 1% | 0.006 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -59.6 | -51 | -179.5 | 173.6 | 0 | 0 | 0 | 0 | 111.1 | S228 W229 G234 I235 I236 L268 H276 W280 | S228-V232 PolarHBondContact O-N 3.36Å; W229-V232 HydrophobicContact CE3-CB 4.29Å; W229-V232 HydrophobicContact CE3-CG1 4.37Å; W229-V232 HydrophobicContact CZ3-CG1 4.14Å; W229-V232 PolarHBondContact O-N 2.94Å; V232-G234 VanDerWaalsContact C-N 3.34Å; V232-G234 PolarHBondContact O-N 3.47Å; V232-I235 PolarHBondContact O-N 3.31Å; V232-I236 HydrophobicContact CG1-CD1 3.98Å; V232-I236 WeakPolarHBondContact O-CG1 3.48Å; V232-I236 PolarHBondContact O-N 3.16Å; V232-I236 VanDerWaalsContact O-N 3.16Å; V232-L268 HydrophobicContact CG2-CD1 4Å; V232-L268 HydrophobicContact CG2-CD2 4.05Å; V232-H276 HydrophobicContact CG1-CB 3.94Å; V232-H276 HydrophobicContact CG2-CB 4.4Å; V232-W280 HydrophobicContact CG1-CZ3 4.41Å |
| 233 | I | 96.6 | Very high | 95.1 | Very high | 23 Ų | 23 | 37.2 Ų | 37.2 | 12% | 0.118 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -68.4 | -34.5 | -179.6 | -162.5 | 61.2 | 0 | 0 | 0 | 111.9 | W229 I235 I236 D237 T351 | W229-I233 HydrophobicContact CD2-CB 4.36Å; W229-I233 HydrophobicContact CH2-CB 4.21Å; W229-I233 HydrophobicContact CH2-CD1 3.94Å; W229-I233 HydrophobicContact CH2-CG1 4.39Å; W229-I233 HydrophobicContact CZ2-CB 3.96Å; W229-I233 HydrophobicContact CZ2-CD1 3.95Å; W229-I233 HydrophobicContact CZ2-CG1 4.03Å; W229-I233 HydrophobicContact CZ3-CB 4.48Å; W229-I233 WeakPolarHBondContact O-CG2 3.14Å; W229-I233 PolarHBondContact O-N 2.81Å; I233-I235 VanDerWaalsContact C-N 3.32Å; I233-I235 PolarHBondContact O-N 2.76Å; I233-I236 HydrophobicContact CD1-CB 4.37Å; I233-I236 HydrophobicContact CD1-CD1 4.37Å; I233-I236 HydrophobicContact CD1-CG2 4.4Å; I233-I236 PolarHBondContact O-N 3.22Å; I233-D237 WeakPolarHBondContact O-CB 3.48Å; I233-D237 PolarHBondContact O-N 3.42Å; I233-T351 HydrophobicContact CD1-CG2 4.08Å |
| 234 | G | 96.7 | Very high | 95.3 | Very high | 40 Ų | 40 | 36.3 Ų | 36.3 | 41% | 0.412 | 21% | 0.209 | S | C | . | . | H | α-helix | trans | -62.1 | -37.6 | 176.1 | 0 | 0 | 0 | 0 | 0 | 113.1 | A230 S231 V232 G238 | A230-G234 PolarHBondContact O-N 2.83Å; S231-G234 PolarHBondContact O-N 3.29Å; V232-G234 VanDerWaalsContact C-N 3.34Å; V232-G234 PolarHBondContact O-N 3.47Å; G234-G238 PolarHBondContact O-N 3.05Å |
| 235 | I | 97.1 | Very high | 95.5 | Very high | 4 Ų | 4 | 34.5 Ų | 34.5 | 2% | 0.021 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -67.9 | -45.4 | 173.5 | -69.8 | 161.3 | 0 | 0 | 0 | 110.7 | L222 S231 V232 I233 D237 G238 Y239 P258 W280 | L222-I235 HydrophobicContact CD1-CG2 4.14Å; S231-I235 WeakPolarHBondContact O-CG1 3.5Å; S231-I235 PolarHBondContact O-N 3.22Å; V232-I235 PolarHBondContact O-N 3.31Å; I233-I235 VanDerWaalsContact C-N 3.32Å; I233-I235 PolarHBondContact O-N 2.76Å; I235-D237 VanDerWaalsContact C-N 3.31Å; I235-D237 PolarHBondContact O-N 2.81Å; I235-G238 VanDerWaalsContact O-CA 3.31Å; I235-G238 WeakPolarHBondContact O-CA 3.4Å; I235-G238 PolarHBondContact O-N 2.81Å; I235-Y239 HydrophobicContact CG2-CD2 4.3Å; I235-Y239 HydrophobicContact CG2-CE2 4.25Å; I235-Y239 WeakPolarHBondContact O-CD2 3.31Å; I235-Y239 PolarHBondContact O-N 3.42Å; I235-P258 HydrophobicContact CG2-CB 3.67Å; I235-W280 HydrophobicContact CB-CH2 4.06Å; I235-W280 HydrophobicContact CD1-CH2 4.06Å; I235-W280 HydrophobicContact CD1-CZ2 4.38Å; I235-W280 HydrophobicContact CG2-CH2 3.65Å; I235-W280 HydrophobicContact CG2-CZ2 4.21Å; I235-W280 HydrophobicContact CG2-CZ3 4.34Å |
| 236 | I | 97.8 | Very high | 95.7 | Very high | 0 Ų | 0 | 34.6 Ų | 34.6 | 0% | 0 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -59.4 | -43.2 | 176.9 | -68 | 163 | 0 | 0 | 0 | 111 | V232 I233 G238 Y239 K240 V275 M279 W280 F283 W333 I349 | V232-I236 HydrophobicContact CG1-CD1 3.98Å; V232-I236 WeakPolarHBondContact O-CG1 3.48Å; V232-I236 PolarHBondContact O-N 3.16Å; V232-I236 VanDerWaalsContact O-N 3.16Å; I233-I236 HydrophobicContact CD1-CB 4.37Å; I233-I236 HydrophobicContact CD1-CD1 4.37Å; I233-I236 HydrophobicContact CD1-CG2 4.4Å; I233-I236 PolarHBondContact O-N 3.22Å; I236-G238 VanDerWaalsContact C-N 3.26Å; I236-G238 PolarHBondContact O-N 3.04Å; I236-Y239 WeakPolarHBondContact O-CB 3.46Å; I236-Y239 PolarHBondContact O-N 3.02Å; I236-Y239 VanDerWaalsContact O-N 3.16Å; I236-K240 PolarHBondContact O-N 3.31Å; I236-V275 HydrophobicContact CD1-CG1 3.52Å; I236-M279 HydrophobicContact CD1-CB 3.89Å; I236-M279 HydrophobicContact CD1-CG 3.79Å; I236-M279 HydrophobicContact CG1-CB 3.97Å; I236-M279 HydrophobicContact CG1-CG 4.17Å; I236-M279 HydrophobicContact CG2-CE 4.47Å; I236-W280 HydrophobicContact CG1-CZ3 4.35Å; I236-F283 HydrophobicContact CG1-CE2 4.06Å; I236-F283 HydrophobicContact CG1-CZ 4.33Å; I236-F283 HydrophobicContact CG2-CZ 4.3Å; I236-W333 HydrophobicContact CG2-CZ2 3.83Å; I236-I349 HydrophobicContact CG2-CD1 4.04Å |
| 237 | D | 96.8 | Very high | 95.9 | Very high | 53 Ų | 53 | 29.5 Ų | 29.5 | 28% | 0.283 | 18% | 0.178 | S | C | . | . | H | α-helix | trans | -65.5 | -31.8 | 175 | -77.7 | -24.5 | 0 | 0 | 0 | 111.9 | I233 I235 K240 I241 Q331 | I233-D237 WeakPolarHBondContact O-CB 3.48Å; I233-D237 PolarHBondContact O-N 3.42Å; I235-D237 VanDerWaalsContact C-N 3.31Å; I235-D237 PolarHBondContact O-N 2.81Å; D237-K240 WeakPolarHBondContact O-CB 3.23Å; D237-K240 PolarHBondContact O-N 3.49Å; D237-I241 WeakPolarHBondContact O-CB 3.49Å; D237-I241 WeakPolarHBondContact O-CG1 3.47Å; D237-I241 PolarHBondContact O-N 3.35Å; D237-Q331 PolarHBondContact OD1-NE2 3.21Å |
| 238 | G | 95.8 | Very high | 96 | Very high | 2 Ų | 2 | 33.3 Ų | 33.3 | 2% | 0.021 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -56.3 | -48.5 | 168.1 | 0 | 0 | 0 | 0 | 0 | 113.2 | Y201 G234 I235 I236 K240 I241 R242 | Y201-G238 WeakPolarHBondContact OH-CA 3.48Å; G234-G238 PolarHBondContact O-N 3.05Å; I235-G238 VanDerWaalsContact O-CA 3.31Å; I235-G238 WeakPolarHBondContact O-CA 3.4Å; I235-G238 PolarHBondContact O-N 2.81Å; I236-G238 VanDerWaalsContact C-N 3.26Å; I236-G238 PolarHBondContact O-N 3.04Å; G238-K240 VanDerWaalsContact C-N 3.32Å; G238-K240 PolarHBondContact O-N 2.65Å; G238-I241 PolarHBondContact O-N 3.41Å; G238-R242 PolarHBondContact O-N 3.47Å |
| 239 | Y | 97 | Very high | 96 | Very high | 6 Ų | 6 | 31.6 Ų | 31.6 | 2% | 0.024 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -64.2 | -37.4 | 174.7 | -86.2 | -105.8 | 0 | 0 | 0 | 112.3 | L222 I235 I236 R242 N243 L246 N256 P258 F283 | L222-Y239 HydrophobicContact CD1-CD2 3.34Å; L222-Y239 HydrophobicContact CD1-CE2 3.41Å; L222-Y239 VanDerWaalsContact CD1-CE2 3.41Å; L222-Y239 HydrophobicContact CD1-CG 4.46Å; I235-Y239 HydrophobicContact CG2-CD2 4.3Å; I235-Y239 HydrophobicContact CG2-CE2 4.25Å; I235-Y239 WeakPolarHBondContact O-CD2 3.31Å; I235-Y239 PolarHBondContact O-N 3.42Å; I236-Y239 WeakPolarHBondContact O-CB 3.46Å; I236-Y239 PolarHBondContact O-N 3.02Å; I236-Y239 VanDerWaalsContact O-N 3.16Å; Y239-R242 CarbonylContact O-C 3.56Å; Y239-R242 PolarHBondContact O-N 2.82Å; Y239-N243 WeakPolarHBondContact O-CA 3.42Å; Y239-N243 PolarHBondContact O-N 3.07Å; Y239-L246 HydrophobicContact CD1-CB 4.5Å; Y239-L246 HydrophobicContact CD1-CD1 3.76Å; Y239-L246 HydrophobicContact CD2-CD1 4.25Å; Y239-L246 HydrophobicContact CE1-CD1 3.98Å; Y239-L246 HydrophobicContact CE2-CD1 4.43Å; Y239-L246 HydrophobicContact CG-CD1 3.9Å; Y239-N256 HydrophobicContact CE1-CB 4.23Å; Y239-N256 VanDerWaalsContact OH-CB 3.31Å; Y239-N256 WeakPolarHBondContact OH-CB 3.28Å; Y239-P258 HydrophobicContact CE2-CB 3.62Å; Y239-P258 WeakPolarHBondContact OH-CD 3.31Å; Y239-F283 HydrophobicContact CD1-CB 4.26Å; Y239-F283 AromaticContact CD1-CD1 3.62Å; Y239-F283 HydrophobicContact CD1-CD1 3.62Å; Y239-F283 AromaticContact CD1-CD2 3.97Å; Y239-F283 HydrophobicContact CD1-CD2 3.97Å; Y239-F283 AromaticContact CD1-CE1 3.87Å; Y239-F283 HydrophobicContact CD1-CE1 3.87Å; Y239-F283 HydrophobicContact CD1-CE2 4.19Å; Y239-F283 AromaticContact CD1-CG 3.68Å; Y239-F283 HydrophobicContact CD1-CG 3.68Å; Y239-F283 HydrophobicContact CD1-CZ 4.14Å; Y239-F283 HydrophobicContact CD2-CD2 4.17Å; Y239-F283 AromaticContact CD2-CE2 3.99Å; Y239-F283 HydrophobicContact CD2-CE2 3.99Å; Y239-F283 HydrophobicContact CD2-CZ 4.36Å; Y239-F283 HydrophobicContact CE1-CB 3.88Å; Y239-F283 HydrophobicContact CE1-CD1 4.15Å; Y239-F283 HydrophobicContact CE1-CD2 4.09Å; Y239-F283 AromaticContact CE1-CG 3.79Å; Y239-F283 HydrophobicContact CE1-CG 3.79Å; Y239-F283 HydrophobicContact CE2-CD2 4.3Å; Y239-F283 HydrophobicContact CG-CD1 4.13Å; Y239-F283 HydrophobicContact CG-CD2 4.02Å; Y239-F283 AromaticContact CG-CE1 3.94Å; Y239-F283 HydrophobicContact CG-CE1 3.94Å; Y239-F283 AromaticContact CG-CE2 3.82Å; Y239-F283 HydrophobicContact CG-CE2 3.82Å; Y239-F283 HydrophobicContact CG-CG 4.18Å; Y239-F283 AromaticContact CG-CZ 3.78Å; Y239-F283 HydrophobicContact CG-CZ 3.78Å |
| 240 | K | 96.6 | Very high | 96 | Very high | 61 Ų | 61 | 30 Ų | 30 | 27% | 0.265 | 18% | 0.175 | S | C | . | . | H | α-helix | trans | -64.1 | -47.1 | 177.2 | 167.3 | 177.7 | 165.2 | -178.1 | 0 | 111.5 | I236 D237 G238 R242 N243 F323 S326 W333 | I236-K240 PolarHBondContact O-N 3.31Å; D237-K240 WeakPolarHBondContact O-CB 3.23Å; D237-K240 PolarHBondContact O-N 3.49Å; G238-K240 VanDerWaalsContact C-N 3.32Å; G238-K240 PolarHBondContact O-N 2.65Å; K240-R242 VanDerWaalsContact C-N 3.29Å; K240-R242 PolarHBondContact O-N 3.23Å; K240-N243 VanDerWaalsContact O-CB 3.32Å; K240-N243 WeakPolarHBondContact O-CB 3.35Å; K240-N243 PolarHBondContact O-N 3.43Å; K240-F323 HydrophobicContact CB-CD2 4.31Å; K240-F323 HydrophobicContact CB-CG 4.3Å; K240-F323 HydrophobicContact CD-CD1 4.46Å; K240-F323 HydrophobicContact CD-CD2 3.91Å; K240-F323 HydrophobicContact CD-CE1 4.18Å; K240-F323 HydrophobicContact CD-CE2 3.59Å; K240-F323 HydrophobicContact CD-CG 4.33Å; K240-F323 HydrophobicContact CD-CZ 3.72Å; K240-F323 HydrophobicContact CG-CB 4.4Å; K240-F323 HydrophobicContact CG-CD1 3.86Å; K240-F323 HydrophobicContact CG-CD2 3.81Å; K240-F323 HydrophobicContact CG-CE1 3.99Å; K240-F323 HydrophobicContact CG-CE2 3.95Å; K240-F323 HydrophobicContact CG-CG 3.75Å; K240-F323 HydrophobicContact CG-CZ 4.02Å; K240-S326 PolarHBondContact NZ-OG 3.15Å; K240-W333 HydrophobicContact CB-CH2 3.68Å; K240-W333 HydrophobicContact CB-CZ2 3.86Å |
| 241 | I | 95.2 | Very high | 96.1 | Very high | 101 Ų | 101 | 26.7 Ų | 26.7 | 52% | 0.518 | 15% | 0.148 | S | C | . | . | H | α-helix | trans | -66.2 | -36 | -179.3 | -73.2 | 165.3 | 0 | 0 | 0 | 110.5 | Y201 D237 G238 | Y201-I241 HydrophobicContact CE1-CD1 4.39Å; Y201-I241 HydrophobicContact CE1-CG2 3.92Å; Y201-I241 HydrophobicContact CE2-CG2 4.44Å; Y201-I241 VanDerWaalsContact OH-CB 3.29Å; Y201-I241 WeakPolarHBondContact OH-CB 3.5Å; Y201-I241 WeakPolarHBondContact OH-CD1 2.9Å; D237-I241 WeakPolarHBondContact O-CB 3.49Å; D237-I241 WeakPolarHBondContact O-CG1 3.47Å; D237-I241 PolarHBondContact O-N 3.35Å; G238-I241 PolarHBondContact O-N 3.41Å |
| 242 | R | 95 | Very high | 96.1 | Very high | 6 Ų | 6 | 27.7 Ų | 27.7 | 2% | 0.023 | 15% | 0.154 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -103.7 | 27.4 | -178.1 | -57.8 | -51.9 | -58.1 | -86.8 | -23.6 | 114.4 | W200 Y201 P204 G238 Y239 K240 D244 V245 L246 | W200-R242 VanDerWaalsContact CE3-CZ 3.46Å; W200-R242 HydrophobicContact CH2-CB 4.12Å; W200-R242 HydrophobicContact CH2-CG 3.92Å; W200-R242 HydrophobicContact CZ3-CB 4.05Å; W200-R242 HydrophobicContact CZ3-CG 3.8Å; W200-R242 PolarHBondContact O-NH1 2.94Å; Y201-R242 HydrophobicContact CD2-CG 3.86Å; Y201-R242 HydrophobicContact CE2-CG 3.73Å; Y201-R242 PolarHBondContact O-NH1 3.49Å; P204-R242 VanDerWaalsContact CA-NH2 3.27Å; P204-R242 VanDerWaalsContact CG-NH2 3.28Å; G238-R242 PolarHBondContact O-N 3.47Å; Y239-R242 CarbonylContact O-C 3.56Å; Y239-R242 PolarHBondContact O-N 2.82Å; K240-R242 VanDerWaalsContact C-N 3.29Å; K240-R242 PolarHBondContact O-N 3.23Å; R242-D244 VanDerWaalsContact C-OD1 3.3Å; R242-D244 WeakPolarHBondContact CA-OD1 3.36Å; R242-D244 IonicContact NE-OD1 3.29Å; R242-D244 PolarHBondContact O-N 3.37Å; R242-V245 PolarHBondContact O-N 3.15Å; R242-L246 HydrophobicContact CB-CD1 3.97Å; R242-L246 HydrophobicContact CB-CG 4.08Å; R242-L246 PolarHBondContact O-N 2.93Å |
| 243 | N | 95.8 | Very high | 96.1 | Very high | 16 Ų | 16 | 28.2 Ų | 28.2 | 9% | 0.086 | 16% | 0.159 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -62.4 | -20.7 | 176.2 | -170.2 | 70.6 | 0 | 0 | 0 | 112.9 | Y239 K240 V245 P247 E322 F323 | Y239-N243 WeakPolarHBondContact O-CA 3.42Å; Y239-N243 PolarHBondContact O-N 3.07Å; K240-N243 VanDerWaalsContact O-CB 3.32Å; K240-N243 WeakPolarHBondContact O-CB 3.35Å; K240-N243 PolarHBondContact O-N 3.43Å; N243-V245 VanDerWaalsContact C-N 3.25Å; N243-V245 PolarHBondContact O-N 3.04Å; N243-P247 VanDerWaalsContact O-CD 3.27Å; N243-P247 WeakPolarHBondContact O-CD 3.23Å; N243-P247 WeakPolarHBondContact O-CG 2.98Å; N243-E322 WeakPolarHBondContact OD1-CA 3.17Å; N243-F323 HydrophobicContact CB-CB 4.27Å; N243-F323 PolarHBondContact OD1-N 2.76Å |
| 244 | D | 94.4 | Very high | 96.1 | Very high | 66 Ų | 66 | 29.2 Ų | 29.2 | 35% | 0.353 | 16% | 0.164 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -71.3 | -18 | 174.7 | 66.2 | -43.8 | 0 | 0 | 0 | 113.7 | R242 K248 | R242-D244 VanDerWaalsContact C-OD1 3.3Å; R242-D244 WeakPolarHBondContact CA-OD1 3.36Å; R242-D244 IonicContact NE-OD1 3.29Å; R242-D244 PolarHBondContact O-N 3.37Å; D244-K248 WeakPolarHBondContact O-CD 3.17Å; D244-K248 WeakPolarHBondContact O-CE 3.27Å; D244-K248 PolarHBondContact O-NZ 3.07Å |
| 245 | V | 95.2 | Very high | 96.2 | Very high | 17 Ų | 17 | 27.4 Ų | 27.4 | 10% | 0.103 | 14% | 0.144 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -122 | -57.5 | -171.7 | 170.3 | 0 | 0 | 0 | 0 | 112.4 | P204 W209 R242 N243 K248 V249 | P204-V245 HydrophobicContact CB-CG2 4.09Å; W209-V245 HydrophobicContact CD2-CG1 3.93Å; W209-V245 HydrophobicContact CG-CG1 4.34Å; W209-V245 HydrophobicContact CH2-CG1 4.43Å; W209-V245 HydrophobicContact CZ2-CG1 3.86Å; R242-V245 PolarHBondContact O-N 3.15Å; N243-V245 VanDerWaalsContact C-N 3.25Å; N243-V245 PolarHBondContact O-N 3.04Å; V245-K248 WeakPolarHBondContact O-CB 3.39Å; V245-K248 PolarHBondContact O-N 2.9Å; V245-K248 VanDerWaalsContact O-N 3.09Å; V245-V249 PolarHBondContact O-N 3.46Å |
| 246 | L | 95.8 | Very high | 96.2 | Very high | 2 Ų | 2 | 27.3 Ų | 27.3 | 1% | 0.01 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -58 | -44.9 | -167.3 | -62.6 | 172.7 | 0 | 0 | 0 | 113.4 | W200 W209 Y239 R242 K248 V249 A250 N256 Q320 | W200-L246 HydrophobicContact CH2-CD1 4.47Å; W200-L246 HydrophobicContact CH2-CD2 3.97Å; W200-L246 HydrophobicContact CH2-CG 4.43Å; W200-L246 HydrophobicContact CZ3-CD2 4.38Å; W209-L246 HydrophobicContact CH2-CD2 4.35Å; W209-L246 HydrophobicContact CZ3-CD2 4.43Å; Y239-L246 HydrophobicContact CD1-CB 4.5Å; Y239-L246 HydrophobicContact CD1-CD1 3.76Å; Y239-L246 HydrophobicContact CD2-CD1 4.25Å; Y239-L246 HydrophobicContact CE1-CD1 3.98Å; Y239-L246 HydrophobicContact CE2-CD1 4.43Å; Y239-L246 HydrophobicContact CG-CD1 3.9Å; R242-L246 HydrophobicContact CB-CD1 3.97Å; R242-L246 HydrophobicContact CB-CG 4.08Å; R242-L246 PolarHBondContact O-N 2.93Å; L246-K248 PolarHBondContact O-N 2.81Å; L246-V249 VanDerWaalsContact O-CG2 3.27Å; L246-V249 WeakPolarHBondContact O-CG2 3.48Å; L246-V249 PolarHBondContact O-N 2.97Å; L246-V249 VanDerWaalsContact O-N 3.16Å; L246-A250 PolarHBondContact O-N 2.86Å; L246-N256 PolarHBondContact O-ND2 2.02Å; L246-Q320 VanDerWaalsContact CB-NE2 3.26Å |
| 247 | P | 96.3 | Very high | 96.2 | Very high | 4 Ų | 4 | 27.7 Ų | 27.7 | 3% | 0.026 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -61.8 | -28.7 | 179.4 | -23.5 | 35.6 | 0 | 0 | 0 | 114.1 | N243 Q320 E322 | N243-P247 VanDerWaalsContact O-CD 3.27Å; N243-P247 WeakPolarHBondContact O-CD 3.23Å; N243-P247 WeakPolarHBondContact O-CG 2.98Å; P247-Q320 HydrophobicContact CB-CG 4.49Å; P247-E322 HydrophobicContact CB-CG 3.84Å; P247-E322 HydrophobicContact CG-CG 3.78Å |
| 248 | K | 94.6 | Very high | 96.3 | Very high | 111 Ų | 111 | 25.2 Ų | 25.2 | 48% | 0.483 | 13% | 0.132 | S | C | . | . | H | α-helix | trans | -79.2 | -21.4 | -179.1 | -62.8 | 173 | -174.4 | 157.4 | 0 | 112.9 | D244 V245 L246 M371 | D244-K248 WeakPolarHBondContact O-CD 3.17Å; D244-K248 WeakPolarHBondContact O-CE 3.27Å; D244-K248 PolarHBondContact O-NZ 3.07Å; V245-K248 WeakPolarHBondContact O-CB 3.39Å; V245-K248 PolarHBondContact O-N 2.9Å; V245-K248 VanDerWaalsContact O-N 3.09Å; L246-K248 PolarHBondContact O-N 2.81Å; K248-M371 HydrophobicContact CG-SD 3.89Å |
| 249 | V | 94.3 | Very high | 96.3 | Very high | 12 Ų | 12 | 25.2 Ų | 25.2 | 7% | 0.073 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -102.3 | -14.5 | -175.7 | -56.3 | 0 | 0 | 0 | 0 | 112.9 | W209 Q213 V245 L246 H254 | W209-V249 HydrophobicContact CB-CG1 3.66Å; W209-V249 HydrophobicContact CD2-CG1 4.27Å; W209-V249 HydrophobicContact CE3-CB 4.42Å; W209-V249 HydrophobicContact CE3-CG1 4.32Å; W209-V249 HydrophobicContact CE3-CG2 3.95Å; W209-V249 HydrophobicContact CG-CG1 4Å; W209-V249 HydrophobicContact CZ3-CG2 4.4Å; Q213-V249 HydrophobicContact CG-CB 4.41Å; Q213-V249 VanDerWaalsContact NE2-CA 3.27Å; Q213-V249 PolarHBondContact NE2-O 3.24Å; V245-V249 PolarHBondContact O-N 3.46Å; L246-V249 VanDerWaalsContact O-CG2 3.27Å; L246-V249 WeakPolarHBondContact O-CG2 3.48Å; L246-V249 PolarHBondContact O-N 2.97Å; L246-V249 VanDerWaalsContact O-N 3.16Å; V249-H254 PolarHBondContact O-CE1 3.32Å; V249-H254 PolarHBondContact O-ND1 3.41Å |
| 250 | A | 96.8 | Very high | 96.4 | Very high | 14 Ų | 14 | 25.1 Ų | 25.1 | 12% | 0.116 | 13% | 0.132 | C | C | . | . | trans | -81.4 | 145.7 | 172.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | L246 H254 Q320 | L246-A250 PolarHBondContact O-N 2.86Å; A250-H254 CarbonylContact C-O 3.53Å; A250-H254 WeakPolarHBondContact CA-O 3.41Å; A250-Q320 HydrophobicContact CB-CB 3.77Å | ||
| 251 | G | 96.7 | Very high | 96.4 | Very high | 5 Ų | 5 | 22.2 Ų | 22.2 | 5% | 0.052 | 12% | 0.119 | C | C | . | . | B | Isolated β-bridge | trans | 167.9 | 179.1 | 172.8 | 0 | 0 | 0 | 0 | 0 | 112.9 | G253 H254 | G251-G253 PolarHBondContact O-N 3.41Å; G251-H254 PolarHBondContact N-CE1 2.87Å; G251-H254 PolarHBondContact N-ND1 3.17Å; G251-H254 PolarHBondContact N-O 2.97Å; G251-H254 CarbonylContact O-C 3.58Å; G251-H254 PolarHBondContact O-N 3.47Å; G251-H254 VanDerWaalsContact O-O 3.04Å |
| 252 | P | 97.3 | Very high | 96.5 | Very high | 38 Ų | 38 | 17.5 Ų | 17.5 | 25% | 0.247 | 10% | 0.095 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -54.5 | 110.4 | -178.5 | -29.2 | 37.8 | 0 | 0 | 0 | 113.2 | R28 W255 | R28-P252 PolarHBondContact NH1-O 3.2Å; P252-W255 HydrophobicContact CG-CH2 4.45Å |
| 253 | G | 96.6 | Very high | 96.5 | Very high | 11 Ų | 11 | 17.2 Ų | 17.2 | 11% | 0.113 | 9% | 0.094 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 105.3 | -11.9 | -178.6 | 0 | 0 | 0 | 0 | 0 | 114.8 | A27 N217 G251 | A27-G253 WeakPolarHBondContact O-CA 3.44Å; A27-G253 PolarHBondContact O-N 3.18Å; N217-G253 VanDerWaalsContact CA-O 3.26Å; N217-G253 WeakPolarHBondContact CA-O 3.42Å; N217-G253 PolarHBondContact ND2-O 2.82Å; N217-G253 VanDerWaalsContact ND2-O 3.08Å; G251-G253 PolarHBondContact O-N 3.41Å |
| 254 | H | 96.5 | Very high | 96.3 | Very high | 45 Ų | 45 | 17 Ų | 17 | 21% | 0.208 | 10% | 0.096 | C | C | . | . | B | Isolated β-bridge | trans | -151.4 | 101 | -176.7 | 50.6 | 79.9 | 0 | 0 | 0 | 111.7 | Q213 N217 V249 A250 G251 | Q213-H254 HydrophobicContact CB-CB 4.45Å; Q213-H254 HydrophobicContact CG-CB 4.38Å; Q213-H254 PolarHBondContact NE2-CE1 3.05Å; Q213-H254 VanDerWaalsContact NE2-CE1 3.29Å; Q213-H254 PolarHBondContact NE2-ND1 3.13Å; N217-H254 CarbonylContact O-C 3.57Å; N217-H254 WeakPolarHBondContact O-CA 3.44Å; V249-H254 PolarHBondContact O-CE1 3.32Å; V249-H254 PolarHBondContact O-ND1 3.41Å; A250-H254 CarbonylContact C-O 3.53Å; A250-H254 WeakPolarHBondContact CA-O 3.41Å; G251-H254 PolarHBondContact N-CE1 2.87Å; G251-H254 PolarHBondContact N-ND1 3.17Å; G251-H254 PolarHBondContact N-O 2.97Å; G251-H254 CarbonylContact O-C 3.58Å; G251-H254 PolarHBondContact O-N 3.47Å; G251-H254 VanDerWaalsContact O-O 3.04Å |
| 255 | W | 98.2 | Very high | 96.1 | Very high | 1 Ų | 1 | 15.5 Ų | 15.5 | 0% | 0.004 | 9% | 0.088 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.4 | 148.3 | -176 | -47.9 | 92.3 | 0 | 0 | 0 | 113.3 | A27 T29 P30 N217 L218 I219 P252 A284 G318 | A27-W255 PolarHBondContact O-NE1 3.45Å; T29-W255 PolarHBondContact O-NE1 3.25Å; P30-W255 HydrophobicContact CB-CD2 4.4Å; P30-W255 HydrophobicContact CG-CD2 3.86Å; P30-W255 HydrophobicContact CG-CE3 3.85Å; P30-W255 HydrophobicContact CG-CG 4.49Å; P30-W255 HydrophobicContact CG-CH2 4.1Å; P30-W255 HydrophobicContact CG-CZ2 4.13Å; P30-W255 HydrophobicContact CG-CZ3 3.98Å; N217-W255 PolarHBondContact O-N 2.68Å; L218-W255 CarbonylContact C-O 3.56Å; L218-W255 VanDerWaalsContact CA-O 3.31Å; L218-W255 WeakPolarHBondContact CA-O 3.43Å; L218-W255 HydrophobicContact CD2-CB 3.63Å; L218-W255 HydrophobicContact CD2-CG 4.06Å; I219-W255 PolarHBondContact N-O 2.9Å; P252-W255 HydrophobicContact CG-CH2 4.45Å; W255-A284 HydrophobicContact CE3-CB 3.79Å; W255-A284 HydrophobicContact CZ3-CB 3.6Å; W255-G318 WeakPolarHBondContact CZ3-O 3.12Å |
| 256 | N | 97.8 | Very high | 95.7 | Very high | 2 Ų | 2 | 22 Ų | 22 | 1% | 0.011 | 12% | 0.122 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -76.5 | 132.1 | 165.6 | -61.4 | -55 | 0 | 0 | 0 | 108.9 | Y239 L246 P258 P286 Q320 | Y239-N256 HydrophobicContact CE1-CB 4.23Å; Y239-N256 VanDerWaalsContact OH-CB 3.31Å; Y239-N256 WeakPolarHBondContact OH-CB 3.28Å; L246-N256 PolarHBondContact O-ND2 2.02Å; N256-P258 WeakPolarHBondContact O-CD 3.45Å; N256-P286 WeakPolarHBondContact O-CD 3.31Å; N256-Q320 PolarHBondContact ND2-OE1 3Å |
| 257 | D | 98.2 | Very high | 95.5 | Very high | 9 Ų | 9 | 24.3 Ų | 24.3 | 5% | 0.048 | 15% | 0.146 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.1 | 110 | 179.3 | -176.9 | -2.6 | 0 | 0 | 0 | 108.5 | L191 I219 R220 D259 P286 | L191-D257 HydrophobicContact CD1-CB 4.28Å; L191-D257 WeakPolarHBondContact CD2-OD2 3.29Å; I219-D257 PolarHBondContact O-N 2.62Å; R220-D257 VanDerWaalsContact CD-O 3.27Å; R220-D257 WeakPolarHBondContact CD-O 3.25Å; R220-D257 WeakPolarHBondContact CD-OD1 3.16Å; R220-D257 WeakPolarHBondContact CD-OD2 3.27Å; R220-D257 HydrophobicContact CG-CB 3.81Å; R220-D257 VanDerWaalsContact CG-OD2 3.28Å; R220-D257 WeakPolarHBondContact CG-OD2 3.48Å; D257-D259 PolarHBondContact O-N 2.81Å; D257-D259 VanDerWaalsContact OD1-CA 3.29Å; D257-D259 WeakPolarHBondContact OD1-CA 3.44Å; D257-D259 PolarHBondContact OD1-N 2.75Å; D257-P286 HydrophobicContact CB-CG 4.13Å |
| 258 | P | 97.3 | Very high | 95.4 | Very high | 0 Ų | 0 | 24.9 Ų | 24.9 | 0% | 0 | 15% | 0.149 | C | C | . | . | trans | -79 | 8.6 | 172.3 | 32.3 | -34.9 | 0 | 0 | 0 | 113.9 | I235 Y239 N256 W280 A285 | I235-P258 HydrophobicContact CG2-CB 3.67Å; Y239-P258 HydrophobicContact CE2-CB 3.62Å; Y239-P258 WeakPolarHBondContact OH-CD 3.31Å; N256-P258 WeakPolarHBondContact O-CD 3.45Å; P258-W280 HydrophobicContact CB-CD2 4.41Å; P258-W280 HydrophobicContact CB-CH2 4.16Å; P258-W280 HydrophobicContact CB-CZ2 3.61Å; P258-W280 HydrophobicContact CG-CD2 3.95Å; P258-W280 VanDerWaalsContact CG-CE2 3.46Å; P258-W280 HydrophobicContact CG-CG 4.1Å; P258-W280 HydrophobicContact CG-CZ2 3.86Å; P258-W280 WeakPolarHBondContact O-CZ2 3.47Å; P258-A285 VanDerWaalsContact CD-CB 3.41Å; P258-A285 HydrophobicContact CG-CB 3.39Å | ||
| 259 | D | 97.5 | Very high | 95.5 | Very high | 2 Ų | 2 | 22 Ų | 22 | 1% | 0.011 | 14% | 0.143 | C | C | . | . | trans | 80 | 179.4 | -171.3 | -157.4 | 20.4 | 0 | 0 | 0 | 114.6 | R220 N224 S225 D257 W280 | R220-D259 VanDerWaalsContact CZ-CB 3.4Å; R220-D259 IonicContact CZ-OD1 2.71Å; R220-D259 IonicContact CZ-OD2 2.76Å; R220-D259 IonicContact NH1-OD1 3.61Å; R220-D259 PolarHBondContact NH1-OD1 2.64Å; R220-D259 IonicContact NH1-OD2 2.66Å; R220-D259 IonicContact NH2-OD1 3.5Å; R220-D259 PolarHBondContact NH2-OD1 3.16Å; R220-D259 IonicContact NH2-OD2 3.37Å; R220-D259 PolarHBondContact NH2-OD2 3.43Å; N224-D259 WeakPolarHBondContact CA-OD2 3.43Å; S225-D259 WeakPolarHBondContact CB-OD2 3.39Å; S225-D259 PolarHBondContact N-OD2 3.19Å; S225-D259 PolarHBondContact OG-OD2 3.03Å; D257-D259 PolarHBondContact O-N 2.81Å; D257-D259 VanDerWaalsContact OD1-CA 3.29Å; D257-D259 WeakPolarHBondContact OD1-CA 3.44Å; D257-D259 PolarHBondContact OD1-N 2.75Å; D259-W280 PolarHBondContact O-NE1 3.43Å | ||
| 260 | M | 98 | Very high | 95.6 | Very high | 5 Ų | 5 | 25.2 Ų | 25.2 | 3% | 0.025 | 16% | 0.16 | C | C | . | . | trans | -65.7 | 155.3 | -168.3 | -65.8 | 162.3 | -79.6 | 0 | 0 | 115.8 | N35 W37 Q38 S225 V262 I288 S290 | N35-M260 HydrophobicContact CB-CG 4.28Å; N35-M260 HydrophobicContact CB-SD 3.75Å; W37-M260 HydrophobicContact CB-CE 3.84Å; W37-M260 HydrophobicContact CB-SD 4.05Å; W37-M260 HydrophobicContact CG-CE 4.23Å; Q38-M260 HydrophobicContact CG-CB 4.32Å; Q38-M260 HydrophobicContact CG-CE 3.61Å; Q38-M260 HydrophobicContact CG-SD 3.97Å; S225-M260 PolarHBondContact OG-N 3.3Å; S225-M260 PolarHBondContact OG-O 3.27Å; M260-V262 PolarHBondContact O-N 3.28Å; M260-I288 CarbonylContact C-O 3.39Å; M260-I288 VanDerWaalsContact CA-O 3.31Å; M260-I288 WeakPolarHBondContact CA-O 3.43Å; M260-I288 WeakPolarHBondContact CB-O 3.47Å; M260-I288 HydrophobicContact CG-CB 4.41Å; M260-I288 HydrophobicContact CG-CG2 4.14Å; M260-S290 VanDerWaalsContact SD-CB 3.57Å | ||
| 261 | L | 98 | Very high | 95.6 | Very high | 0 Ų | 0 | 26.2 Ų | 26.2 | 0% | 0 | 16% | 0.163 | C | C | . | . | B | Isolated β-bridge | trans | -78.5 | 113.5 | 165.5 | -64.3 | 173.2 | 0 | 0 | 0 | 110.5 | L263 H276 M277 W280 L287 I288 S290 L304 | L261-L263 VanDerWaalsContact C-N 3.28Å; L261-L263 HydrophobicContact CD2-CD1 4.49Å; L261-L263 PolarHBondContact O-N 3.05Å; L261-H276 WeakPolarHBondContact CA-NE2 3.29Å; L261-M277 HydrophobicContact CD1-SD 3.99Å; L261-M277 HydrophobicContact CD2-SD 4.4Å; L261-W280 HydrophobicContact CD2-CB 4.01Å; L261-W280 HydrophobicContact CD2-CD2 4.23Å; L261-W280 HydrophobicContact CD2-CG 3.65Å; L261-L287 HydrophobicContact CD1-CB 3.88Å; L261-L287 HydrophobicContact CD1-CD2 4.02Å; L261-L287 HydrophobicContact CD1-CG 4.5Å; L261-I288 PolarHBondContact N-O 2.99Å; L261-S290 PolarHBondContact O-N 3.45Å; L261-L304 HydrophobicContact CD1-CD2 3.72Å |
| 262 | V | 95.5 | Very high | 95.7 | Very high | 1 Ų | 1 | 27.3 Ų | 27.3 | 1% | 0.006 | 17% | 0.167 | C | C | . | . | trans | -91.2 | 19.1 | 175.4 | -63.4 | 0 | 0 | 0 | 0 | 113.2 | Q38 M260 N265 L268 H276 | Q38-V262 HydrophobicContact CB-CG1 4.1Å; Q38-V262 HydrophobicContact CG-CG1 3.78Å; M260-V262 PolarHBondContact O-N 3.28Å; V262-N265 VanDerWaalsContact O-CB 3.31Å; V262-N265 WeakPolarHBondContact O-CB 3.34Å; V262-N265 PolarHBondContact O-N 2.76Å; V262-N265 VanDerWaalsContact O-N 3.14Å; V262-L268 HydrophobicContact CG2-CD1 4.06Å; V262-H276 PolarHBondContact N-NE2 3.47Å | ||
| 263 | L | 95.4 | Very high | 95.7 | Very high | 1 Ų | 1 | 26.2 Ų | 26.2 | 1% | 0.005 | 16% | 0.158 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -64.5 | 134.9 | 175.6 | -59.8 | 174.8 | 0 | 0 | 0 | 109.6 | L261 K273 H276 M277 T291 L304 | L261-L263 VanDerWaalsContact C-N 3.28Å; L261-L263 HydrophobicContact CD2-CD1 4.49Å; L261-L263 PolarHBondContact O-N 3.05Å; L263-K273 HydrophobicContact CD2-CB 3.73Å; L263-K273 HydrophobicContact CD2-CG 3.81Å; L263-H276 HydrophobicContact CD2-CB 4.33Å; L263-M277 HydrophobicContact CD1-CB 3.86Å; L263-M277 HydrophobicContact CD1-CG 4.31Å; L263-M277 HydrophobicContact CD1-SD 4.01Å; L263-T291 VanDerWaalsContact O-CB 3.31Å; L263-T291 WeakPolarHBondContact O-CB 3.49Å; L263-T291 VanDerWaalsContact O-CG2 3.31Å; L263-T291 WeakPolarHBondContact O-CG2 3.46Å; L263-L304 HydrophobicContact CB-CD1 4.19Å; L263-L304 HydrophobicContact CB-CG 4.35Å; L263-L304 HydrophobicContact CD1-CD2 3.76Å; L263-L304 HydrophobicContact CD1-CG 3.94Å |
| 264 | G | 92 | Very high | 95.8 | Very high | 12 Ų | 12 | 29.3 Ų | 29.3 | 12% | 0.124 | 17% | 0.167 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 94.5 | -16.8 | -170.8 | 0 | 0 | 0 | 0 | 0 | 113.8 | T291 S300 | G264-T291 PolarHBondContact O-OG1 2.62Å; G264-S300 PolarHBondContact N-OG 2.89Å |
| 265 | N | 90.4 | Very high | 95.9 | Very high | 34 Ų | 34 | 27.2 Ų | 27.2 | 18% | 0.182 | 16% | 0.157 | C | C | . | . | S | Bend | trans | -84 | 167.6 | 169.5 | -57.7 | -25.5 | 0 | 0 | 0 | 110.9 | S227 V262 S290 T291 | S227-N265 WeakPolarHBondContact OG-CB 3.37Å; V262-N265 VanDerWaalsContact O-CB 3.31Å; V262-N265 WeakPolarHBondContact O-CB 3.34Å; V262-N265 PolarHBondContact O-N 2.76Å; V262-N265 VanDerWaalsContact O-N 3.14Å; N265-S290 PolarHBondContact ND2-O 3.03Å; N265-T291 PolarHBondContact N-OG1 2.88Å; N265-T291 WeakPolarHBondContact OD1-CA 3.48Å; N265-T291 VanDerWaalsContact OD1-CB 3.25Å; N265-T291 WeakPolarHBondContact OD1-CB 3.34Å; N265-T291 PolarHBondContact OD1-OG1 2.86Å |
| 266 | N | 86.7 | Confident | 95.9 | Very high | 153 Ų | 153 | 27.1 Ų | 27.1 | 82% | 0.818 | 16% | 0.157 | S | C | * | . | S | Bend | trans | -83.6 | 146.3 | 176.2 | -63.3 | -41.5 | 0 | 0 | 0 | 111.2 | S227 | S227-N266 WeakPolarHBondContact CB-O 3.46Å; S227-N266 PolarHBondContact OG-O 3.42Å |
| 267 | G | 91.4 | Very high | 95.9 | Very high | 51 Ų | 51 | 27 Ų | 27 | 53% | 0.526 | 16% | 0.156 | S | C | . | . | S | Bend | trans | 121.7 | -1.3 | 169.3 | 0 | 0 | 0 | 0 | 0 | 116.3 | S227 | S227-G267 WeakPolarHBondContact O-CA 3.46Š|
| 268 | L | 95.4 | Very high | 96 | Very high | 16 Ų | 16 | 26.6 Ų | 26.6 | 8% | 0.084 | 15% | 0.154 | C | C | . | . | trans | -120.8 | 135.8 | 171.1 | -60 | 178.1 | 0 | 0 | 0 | 110.5 | S228 W229 V232 V262 Q272 K273 H276 | S228-L268 VanDerWaalsContact C-CD2 3.46Å; W229-L268 HydrophobicContact CB-CD2 4.41Å; V232-L268 HydrophobicContact CG2-CD1 4Å; V232-L268 HydrophobicContact CG2-CD2 4.05Å; V262-L268 HydrophobicContact CG2-CD1 4.06Å; L268-Q272 HydrophobicContact CB-CB 4.1Å; L268-Q272 HydrophobicContact CD2-CB 4.2Å; L268-K273 HydrophobicContact CB-CG 3.84Å; L268-H276 HydrophobicContact CD1-CB 4.42Å | ||
| 269 | S | 95.8 | Very high | 96 | Very high | 51 Ų | 51 | 26.6 Ų | 26.6 | 36% | 0.357 | 15% | 0.154 | S | C | . | . | trans | -68.3 | 167 | 167.7 | 78.3 | 0 | 0 | 0 | 0 | 111.1 | D271 Q272 K273 | S269-D271 VanDerWaalsContact C-N 3.3Å; S269-D271 PolarHBondContact O-N 3.47Å; S269-Q272 PolarHBondContact O-N 3.1Å; S269-Q272 VanDerWaalsContact OG-CG 3.29Å; S269-Q272 WeakPolarHBondContact OG-CG 3.43Å; S269-Q272 PolarHBondContact OG-N 2.62Å; S269-K273 WeakPolarHBondContact O-CB 2.99Å; S269-K273 VanDerWaalsContact O-CG 3.29Å; S269-K273 WeakPolarHBondContact O-CG 3.39Å; S269-K273 PolarHBondContact O-N 3.07Å | ||
| 270 | N | 96.7 | Very high | 96.1 | Very high | 79 Ų | 79 | 26.5 Ų | 26.5 | 42% | 0.422 | 15% | 0.153 | S | C | . | . | H | α-helix | trans | -60.8 | -37.4 | 177.2 | -77.2 | -4 | 0 | 0 | 0 | 112.9 | K273 R274 F299 | N270-K273 PolarHBondContact O-N 2.82Å; N270-R274 PolarHBondContact O-N 3.21Å; N270-R274 VanDerWaalsContact O-N 3.08Å; N270-F299 HydrophobicContact CB-CD1 3.89Å; N270-F299 HydrophobicContact CB-CD2 4.36Å; N270-F299 HydrophobicContact CB-CE1 3.5Å; N270-F299 VanDerWaalsContact CB-CE1 3.5Å; N270-F299 HydrophobicContact CB-CE2 4Å; N270-F299 HydrophobicContact CB-CG 4.31Å; N270-F299 HydrophobicContact CB-CZ 3.55Å; N270-F299 VanDerWaalsContact CG-CD1 3.49Å; N270-F299 WeakPolarHBondContact O-CE1 3.37Å; N270-F299 WeakPolarHBondContact O-CZ 3.34Å; N270-F299 VanDerWaalsContact OD1-CD1 3.25Å; N270-F299 WeakPolarHBondContact OD1-CD1 3.2Å |
| 271 | D | 97.2 | Very high | 96.1 | Very high | 34 Ų | 34 | 26.3 Ų | 26.3 | 18% | 0.182 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -66.7 | -40.9 | 174.9 | -78.3 | -48.8 | 0 | 0 | 0 | 111.6 | S269 K273 R274 V275 N404 S406 | S269-D271 VanDerWaalsContact C-N 3.3Å; S269-D271 PolarHBondContact O-N 3.47Å; D271-K273 PolarHBondContact O-N 3.37Å; D271-R274 WeakPolarHBondContact O-CB 3.33Å; D271-R274 PolarHBondContact O-N 3.49Å; D271-R274 IonicContact OD1-NH1 2.93Å; D271-V275 WeakPolarHBondContact O-CG2 3.01Å; D271-V275 PolarHBondContact O-N 3.47Å; D271-N404 WeakPolarHBondContact OD2-CB 3.2Å; D271-N404 PolarHBondContact OD2-ND2 3.19Å; D271-S406 CarbonylContact C-O 3.49Å |
| 272 | Q | 97.5 | Very high | 96.2 | Very high | 29 Ų | 29 | 26.3 Ų | 26.3 | 14% | 0.136 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -67.9 | -35.6 | 175.9 | -66.2 | 166.4 | -5.6 | 0 | 0 | 112.4 | W229 L268 S269 R274 V275 H276 S406 | W229-Q272 HydrophobicContact CD2-CG 3.79Å; W229-Q272 HydrophobicContact CE3-CB 3.76Å; W229-Q272 HydrophobicContact CE3-CG 3.5Å; W229-Q272 VanDerWaalsContact CE3-CG 3.5Å; W229-Q272 HydrophobicContact CG-CG 4.26Å; W229-Q272 HydrophobicContact CZ3-CB 4.08Å; W229-Q272 HydrophobicContact CZ3-CG 3.94Å; L268-Q272 HydrophobicContact CB-CB 4.1Å; L268-Q272 HydrophobicContact CD2-CB 4.2Å; S269-Q272 PolarHBondContact O-N 3.1Å; S269-Q272 VanDerWaalsContact OG-CG 3.29Å; S269-Q272 WeakPolarHBondContact OG-CG 3.43Å; S269-Q272 PolarHBondContact OG-N 2.62Å; Q272-R274 VanDerWaalsContact C-N 3.32Å; Q272-R274 PolarHBondContact O-N 2.87Å; Q272-V275 WeakPolarHBondContact O-CB 2.99Å; Q272-V275 PolarHBondContact O-N 3.07Å; Q272-H276 WeakPolarHBondContact O-CB 3.29Å; Q272-H276 PolarHBondContact O-N 3.08Å; Q272-S406 PolarHBondContact NE2-OG 3.03Å |
| 273 | K | 98.1 | Very high | 96.3 | Very high | 15 Ų | 15 | 26.2 Ų | 26.2 | 7% | 0.065 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -61.7 | -39.2 | 172.1 | -74 | 174 | 177.4 | -169.1 | 0 | 111.4 | L263 L268 S269 N270 D271 H276 M277 D297 F299 S300 L303 | L263-K273 HydrophobicContact CD2-CB 3.73Å; L263-K273 HydrophobicContact CD2-CG 3.81Å; L268-K273 HydrophobicContact CB-CG 3.84Å; S269-K273 WeakPolarHBondContact O-CB 2.99Å; S269-K273 VanDerWaalsContact O-CG 3.29Å; S269-K273 WeakPolarHBondContact O-CG 3.39Å; S269-K273 PolarHBondContact O-N 3.07Å; N270-K273 PolarHBondContact O-N 2.82Å; D271-K273 PolarHBondContact O-N 3.37Å; K273-H276 PolarHBondContact O-N 3.31Å; K273-M277 PolarHBondContact O-N 3.25Å; K273-D297 IonicContact NZ-OD1 2.62Å; K273-D297 PolarHBondContact NZ-OD1 3.24Å; K273-D297 IonicContact NZ-OD2 3.42Å; K273-D297 PolarHBondContact NZ-OD2 3.24Å; K273-F299 HydrophobicContact CB-CD1 4.34Å; K273-F299 HydrophobicContact CB-CE1 3.98Å; K273-F299 HydrophobicContact CD-CD1 3.9Å; K273-F299 HydrophobicContact CD-CE1 4.32Å; K273-S300 WeakPolarHBondContact CD-OG 3.44Å; K273-S300 WeakPolarHBondContact CE-OG 3.39Å; K273-S300 PolarHBondContact NZ-OG 3.19Å; K273-L303 HydrophobicContact CB-CD1 3.85Å |
| 274 | R | 98.2 | Very high | 96.4 | Very high | 76 Ų | 76 | 26.2 Ų | 26.2 | 29% | 0.287 | 15% | 0.152 | S | C | . | . | H | α-helix | trans | -63.1 | -45 | 172.2 | -76.1 | 177.7 | 175.5 | 151.3 | -6.2 | 111.8 | N270 D271 Q272 H276 G278 F299 L303 F385 I408 | N270-R274 PolarHBondContact O-N 3.21Å; N270-R274 VanDerWaalsContact O-N 3.08Å; D271-R274 WeakPolarHBondContact O-CB 3.33Å; D271-R274 PolarHBondContact O-N 3.49Å; D271-R274 IonicContact OD1-NH1 2.93Å; Q272-R274 VanDerWaalsContact C-N 3.32Å; Q272-R274 PolarHBondContact O-N 2.87Å; R274-H276 VanDerWaalsContact C-N 3.31Å; R274-H276 PolarHBondContact O-N 2.83Å; R274-G278 WeakPolarHBondContact O-CA 3.3Å; R274-G278 PolarHBondContact O-N 2.89Å; R274-F299 HydrophobicContact CG-CE1 4.38Å; R274-F299 HydrophobicContact CG-CZ 3.96Å; R274-L303 HydrophobicContact CG-CD1 4.26Å; R274-L303 HydrophobicContact CG-CD2 3.92Å; R274-F385 HydrophobicContact CB-CD1 4.36Å; R274-F385 HydrophobicContact CB-CE1 3.73Å; R274-F385 HydrophobicContact CB-CZ 3.88Å; R274-F385 HydrophobicContact CG-CD1 3.91Å; R274-F385 HydrophobicContact CG-CE1 3.78Å; R274-F385 HydrophobicContact CG-CZ 4.29Å; R274-I408 VanDerWaalsContact C-CG2 3.47Å; R274-I408 HydrophobicContact CB-CG2 3.64Å |
| 275 | V | 98.6 | Very high | 96.8 | Very high | 0 Ų | 0 | 25.6 Ų | 25.6 | 0% | 0 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -57.4 | -48.2 | 175.8 | 177.7 | 0 | 0 | 0 | 0 | 110.2 | W229 I236 D271 Q272 G278 M279 I349 S406 I408 | W229-V275 HydrophobicContact CH2-CB 4.13Å; W229-V275 HydrophobicContact CH2-CG1 3.85Å; W229-V275 HydrophobicContact CH2-CG2 3.99Å; W229-V275 HydrophobicContact CZ3-CB 3.93Å; W229-V275 HydrophobicContact CZ3-CG1 3.86Å; W229-V275 HydrophobicContact CZ3-CG2 4.17Å; I236-V275 HydrophobicContact CD1-CG1 3.52Å; D271-V275 WeakPolarHBondContact O-CG2 3.01Å; D271-V275 PolarHBondContact O-N 3.47Å; Q272-V275 WeakPolarHBondContact O-CB 2.99Å; Q272-V275 PolarHBondContact O-N 3.07Å; V275-G278 PolarHBondContact O-N 2.88Å; V275-M279 HydrophobicContact CG1-CG 4.21Å; V275-M279 WeakPolarHBondContact O-CB 3.44Å; V275-M279 WeakPolarHBondContact O-CG 3.4Å; V275-M279 PolarHBondContact O-N 2.73Å; V275-I349 HydrophobicContact CG1-CD1 4.34Å; V275-I349 HydrophobicContact CG1-CG2 4.17Å; V275-I349 HydrophobicContact CG2-CG2 4.15Å; V275-S406 VanDerWaalsContact CG2-O 3.29Å; V275-S406 WeakPolarHBondContact CG2-O 3.18Å; V275-I408 HydrophobicContact CB-CB 4.48Å; V275-I408 HydrophobicContact CB-CG2 4.34Å; V275-I408 HydrophobicContact CG2-CB 3.79Å; V275-I408 HydrophobicContact CG2-CG2 3.89Å |
| 276 | H | 98.1 | Very high | 97.1 | Very high | 0 Ų | 0 | 24 Ų | 24 | 0% | 0 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -58.1 | -58.3 | -178.5 | -169.6 | 37.9 | 0 | 0 | 0 | 111.9 | V232 L261 V262 L263 L268 Q272 K273 R274 G278 W280 | V232-H276 HydrophobicContact CG1-CB 3.94Å; V232-H276 HydrophobicContact CG2-CB 4.4Å; L261-H276 WeakPolarHBondContact CA-NE2 3.29Å; V262-H276 PolarHBondContact N-NE2 3.47Å; L263-H276 HydrophobicContact CD2-CB 4.33Å; L268-H276 HydrophobicContact CD1-CB 4.42Å; Q272-H276 WeakPolarHBondContact O-CB 3.29Å; Q272-H276 PolarHBondContact O-N 3.08Å; K273-H276 PolarHBondContact O-N 3.31Å; R274-H276 VanDerWaalsContact C-N 3.31Å; R274-H276 PolarHBondContact O-N 2.83Å; H276-G278 PolarHBondContact O-N 3.18Å; H276-W280 AromaticContact CE1-CD2 3.73Å; H276-W280 AromaticContact CE1-CE2 3.5Å; H276-W280 VanDerWaalsContact CE1-CE2 3.5Å; H276-W280 AromaticContact CE1-CE3 3.73Å; H276-W280 AromaticContact CE1-CH2 3.39Å; H276-W280 WeakPolarHBondContact CE1-CH2 3.37Å; H276-W280 AromaticContact CE1-CZ2 3.36Å; H276-W280 WeakPolarHBondContact CE1-CZ2 3.23Å; H276-W280 AromaticContact CE1-CZ3 3.57Å; H276-W280 AromaticContact ND1-CD2 3.83Å; H276-W280 AromaticContact ND1-CE3 3.4Å; H276-W280 AromaticContact ND1-CH2 3.53Å; H276-W280 AromaticContact ND1-CZ2 3.93Å; H276-W280 AromaticContact ND1-CZ3 3.23Å; H276-W280 WeakPolarHBondContact ND1-CZ3 3.34Å; H276-W280 PolarHBondContact O-N 2.94Å |
| 277 | M | 98.6 | Very high | 97.7 | Very high | 0 Ų | 0 | 16.7 Ų | 16.7 | 0% | 0 | 10% | 0.098 | C | C | . | . | H | α-helix | trans | -60.5 | -46.6 | 178.4 | -173.2 | 61 | -178.3 | 0 | 0 | 111.8 | L261 L263 K273 M279 W280 C281 L287 L303 L304 L309 L310 | L261-M277 HydrophobicContact CD1-SD 3.99Å; L261-M277 HydrophobicContact CD2-SD 4.4Å; L263-M277 HydrophobicContact CD1-CB 3.86Å; L263-M277 HydrophobicContact CD1-CG 4.31Å; L263-M277 HydrophobicContact CD1-SD 4.01Å; K273-M277 PolarHBondContact O-N 3.25Å; M277-M279 PolarHBondContact O-N 2.98Å; M277-W280 PolarHBondContact O-N 3.34Å; M277-C281 PolarHBondContact O-N 2.56Å; M277-C281 PolarHBondContact O-SG 2.86Å; M277-L287 HydrophobicContact CE-CD1 4Å; M277-L303 HydrophobicContact CB-CB 4.34Å; M277-L303 HydrophobicContact CG-CB 4.23Å; M277-L304 HydrophobicContact SD-CD2 4.14Å; M277-L309 HydrophobicContact CB-CD1 4.45Å; M277-L309 HydrophobicContact CE-CB 4.29Å; M277-L309 HydrophobicContact CG-CD1 3.67Å; M277-L310 HydrophobicContact CE-CD2 4.05Å |
| 278 | G | 98.7 | Very high | 98.1 | Very high | 0 Ų | 0 | 14.5 Ų | 14.5 | 0% | 0 | 7% | 0.074 | C | C | . | . | H | α-helix | trans | -61.4 | -45.2 | -174.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | R274 V275 H276 C281 M282 M410 | R274-G278 WeakPolarHBondContact O-CA 3.3Å; R274-G278 PolarHBondContact O-N 2.89Å; V275-G278 PolarHBondContact O-N 2.88Å; H276-G278 PolarHBondContact O-N 3.18Å; G278-C281 WeakPolarHBondContact O-CB 3.45Å; G278-C281 PolarHBondContact O-N 3.43Å; G278-M282 WeakPolarHBondContact O-CG 3.5Å; G278-M282 PolarHBondContact O-N 3.22Å; G278-M410 WeakPolarHBondContact CA-SD 3.12Å; G278-M410 WeakPolarHBondContact O-CE 3.47Å |
| 279 | M | 98.8 | Very high | 98.2 | Very high | 0 Ų | 0 | 13.8 Ų | 13.8 | 0% | 0 | 7% | 0.07 | C | C | . | . | H | α-helix | trans | -74.4 | -33.9 | -179.6 | -69.2 | -51.3 | -61.3 | 0 | 0 | 113.1 | I236 V275 M277 C281 M282 F283 W333 A347 I349 I408 | I236-M279 HydrophobicContact CD1-CB 3.89Å; I236-M279 HydrophobicContact CD1-CG 3.79Å; I236-M279 HydrophobicContact CG1-CB 3.97Å; I236-M279 HydrophobicContact CG1-CG 4.17Å; I236-M279 HydrophobicContact CG2-CE 4.47Å; V275-M279 HydrophobicContact CG1-CG 4.21Å; V275-M279 WeakPolarHBondContact O-CB 3.44Å; V275-M279 WeakPolarHBondContact O-CG 3.4Å; V275-M279 PolarHBondContact O-N 2.73Å; M277-M279 PolarHBondContact O-N 2.98Å; M279-C281 VanDerWaalsContact C-N 3.3Å; M279-C281 PolarHBondContact O-N 3.46Å; M279-M282 HydrophobicContact CE-CB 4.18Å; M279-M282 CarbonylContact O-C 3.6Å; M279-M282 PolarHBondContact O-N 3.27Å; M279-M282 VanDerWaalsContact O-N 3.12Å; M279-M282 HydrophobicContact SD-CB 4.25Å; M279-M282 HydrophobicContact SD-CG 4.22Å; M279-F283 HydrophobicContact CB-CD2 4.45Å; M279-F283 HydrophobicContact CB-CE2 3.95Å; M279-F283 HydrophobicContact CB-CZ 4.24Å; M279-F283 HydrophobicContact CE-CD1 4.32Å; M279-F283 HydrophobicContact CE-CE1 3.44Å; M279-F283 VanDerWaalsContact CE-CE1 3.44Å; M279-F283 HydrophobicContact CE-CE2 4.2Å; M279-F283 HydrophobicContact CE-CZ 3.37Å; M279-F283 WeakPolarHBondContact O-CB 3.5Å; M279-F283 WeakPolarHBondContact O-CD2 3.41Å; M279-F283 WeakPolarHBondContact O-CG 3.44Å; M279-F283 PolarHBondContact O-N 3.46Å; M279-W333 HydrophobicContact CE-CB 4.48Å; M279-W333 HydrophobicContact CE-CD2 3.6Å; M279-W333 HydrophobicContact CE-CE3 4.04Å; M279-W333 HydrophobicContact CE-CG 3.81Å; M279-W333 HydrophobicContact CE-CZ2 4.18Å; M279-W333 HydrophobicContact CE-CZ3 4.5Å; M279-A347 HydrophobicContact SD-CB 4.18Å; M279-I349 HydrophobicContact CE-CD1 4.2Å; M279-I349 HydrophobicContact CG-CD1 3.61Å; M279-I349 HydrophobicContact CG-CG1 4.41Å; M279-I349 HydrophobicContact SD-CD1 3.59Å; M279-I349 VanDerWaalsContact SD-CD1 3.59Å; M279-I349 HydrophobicContact SD-CG1 4.16Å; M279-I408 HydrophobicContact CG-CD1 4.07Å; M279-I408 HydrophobicContact SD-CD1 3.87Å |
| 280 | W | 98.7 | Very high | 98.3 | Very high | 0 Ų | 0 | 11.3 Ų | 11.3 | 0% | 0 | 5% | 0.053 | C | C | . | . | H | α-helix | trans | -59.5 | -44.8 | 169.9 | -93.8 | -121.4 | 0 | 0 | 0 | 110.9 | V232 I235 I236 P258 D259 L261 H276 M277 M282 F283 A284 A285 L287 | V232-W280 HydrophobicContact CG1-CZ3 4.41Å; I235-W280 HydrophobicContact CB-CH2 4.06Å; I235-W280 HydrophobicContact CD1-CH2 4.06Å; I235-W280 HydrophobicContact CD1-CZ2 4.38Å; I235-W280 HydrophobicContact CG2-CH2 3.65Å; I235-W280 HydrophobicContact CG2-CZ2 4.21Å; I235-W280 HydrophobicContact CG2-CZ3 4.34Å; I236-W280 HydrophobicContact CG1-CZ3 4.35Å; P258-W280 HydrophobicContact CB-CD2 4.41Å; P258-W280 HydrophobicContact CB-CH2 4.16Å; P258-W280 HydrophobicContact CB-CZ2 3.61Å; P258-W280 HydrophobicContact CG-CD2 3.95Å; P258-W280 VanDerWaalsContact CG-CE2 3.46Å; P258-W280 HydrophobicContact CG-CG 4.1Å; P258-W280 HydrophobicContact CG-CZ2 3.86Å; P258-W280 WeakPolarHBondContact O-CZ2 3.47Å; D259-W280 PolarHBondContact O-NE1 3.43Å; L261-W280 HydrophobicContact CD2-CB 4.01Å; L261-W280 HydrophobicContact CD2-CD2 4.23Å; L261-W280 HydrophobicContact CD2-CG 3.65Å; H276-W280 AromaticContact CE1-CD2 3.73Å; H276-W280 AromaticContact CE1-CE2 3.5Å; H276-W280 VanDerWaalsContact CE1-CE2 3.5Å; H276-W280 AromaticContact CE1-CE3 3.73Å; H276-W280 AromaticContact CE1-CH2 3.39Å; H276-W280 WeakPolarHBondContact CE1-CH2 3.37Å; H276-W280 AromaticContact CE1-CZ2 3.36Å; H276-W280 WeakPolarHBondContact CE1-CZ2 3.23Å; H276-W280 AromaticContact CE1-CZ3 3.57Å; H276-W280 AromaticContact ND1-CD2 3.83Å; H276-W280 AromaticContact ND1-CE3 3.4Å; H276-W280 AromaticContact ND1-CH2 3.53Å; H276-W280 AromaticContact ND1-CZ2 3.93Å; H276-W280 AromaticContact ND1-CZ3 3.23Å; H276-W280 WeakPolarHBondContact ND1-CZ3 3.34Å; H276-W280 PolarHBondContact O-N 2.94Å; M277-W280 PolarHBondContact O-N 3.34Å; W280-M282 VanDerWaalsContact C-N 3.34Å; W280-M282 PolarHBondContact O-N 3.13Å; W280-F283 PolarHBondContact O-N 2.69Å; W280-F283 VanDerWaalsContact O-N 3.16Å; W280-A284 PolarHBondContact O-N 3.44Å; W280-A285 HydrophobicContact CB-CB 4.14Å; W280-A285 HydrophobicContact CG-CB 4.09Å; W280-A285 WeakPolarHBondContact O-CB 3.45Å; W280-A285 PolarHBondContact O-N 3.14Å; W280-A285 VanDerWaalsContact O-N 3.11Å; W280-L287 HydrophobicContact CB-CD2 4.03Å |
| 281 | C | 98.8 | Very high | 98.2 | Very high | 0 Ų | 0 | 7.7 Ų | 7.7 | 0% | 0 | 3% | 0.034 | C | C | . | . | H | α-helix | trans | -63.2 | -38.5 | 173.4 | -61.6 | 0 | 0 | 0 | 0 | 111.5 | M277 G278 M279 F283 A284 L309 I312 D313 R335 | M277-C281 PolarHBondContact O-N 2.56Å; M277-C281 PolarHBondContact O-SG 2.86Å; G278-C281 WeakPolarHBondContact O-CB 3.45Å; G278-C281 PolarHBondContact O-N 3.43Å; M279-C281 VanDerWaalsContact C-N 3.3Å; M279-C281 PolarHBondContact O-N 3.46Å; C281-F283 VanDerWaalsContact C-N 3.3Å; C281-F283 PolarHBondContact O-N 2.95Å; C281-A284 PolarHBondContact O-N 3.27Å; C281-L309 HydrophobicContact CB-CD2 4.46Å; C281-I312 HydrophobicContact CB-CG2 4.38Å; C281-D313 HydrophobicContact CB-CB 4.1Å; C281-R335 PolarHBondContact O-NH1 3.46Å |
| 282 | M | 98.7 | Very high | 98 | Very high | 0 Ų | 0 | 6.6 Ų | 6.6 | 0% | 0 | 3% | 0.028 | C | C | . | . | H | α-helix | trans | -66.7 | -32.5 | 175 | -72.7 | -65.3 | -73.7 | 0 | 0 | 112.1 | G278 M279 W280 A284 I312 A321 W333 R335 A345 A347 M410 | G278-M282 WeakPolarHBondContact O-CG 3.5Å; G278-M282 PolarHBondContact O-N 3.22Å; M279-M282 HydrophobicContact CE-CB 4.18Å; M279-M282 CarbonylContact O-C 3.6Å; M279-M282 PolarHBondContact O-N 3.27Å; M279-M282 VanDerWaalsContact O-N 3.12Å; M279-M282 HydrophobicContact SD-CB 4.25Å; M279-M282 HydrophobicContact SD-CG 4.22Å; W280-M282 VanDerWaalsContact C-N 3.34Å; W280-M282 PolarHBondContact O-N 3.13Å; M282-A284 PolarHBondContact O-N 3.26Å; M282-I312 HydrophobicContact SD-CG2 4.44Å; M282-A321 HydrophobicContact CB-CB 3.84Å; M282-A321 HydrophobicContact CE-CB 3.94Å; M282-A321 WeakPolarHBondContact O-CB 3.3Å; M282-A321 PolarHBondContact O-N 2.82Å; M282-W333 HydrophobicContact CE-CB 4.26Å; M282-R335 HydrophobicContact CE-CB 3.72Å; M282-R335 WeakPolarHBondContact O-CD 3.32Å; M282-R335 HydrophobicContact SD-CB 4.1Å; M282-A345 HydrophobicContact CE-CB 4.29Å; M282-A345 HydrophobicContact SD-CB 3.64Å; M282-A347 HydrophobicContact CE-CB 4.2Å; M282-A347 HydrophobicContact CG-CB 4.23Å; M282-M410 HydrophobicContact CG-CE 3.57Å; M282-M410 HydrophobicContact SD-CE 3.82Å |
| 283 | F | 98.5 | Very high | 98 | Very high | 0 Ų | 0 | 5.5 Ų | 5.5 | 0% | 0 | 2% | 0.023 | C | C | . | . | H | α-helix | trans | -79.2 | -4.2 | -179.3 | -61.2 | -34 | 0 | 0 | 0 | 114.4 | I236 Y239 M279 W280 C281 A285 Q320 A321 W333 | I236-F283 HydrophobicContact CG1-CE2 4.06Å; I236-F283 HydrophobicContact CG1-CZ 4.33Å; I236-F283 HydrophobicContact CG2-CZ 4.3Å; Y239-F283 HydrophobicContact CD1-CB 4.26Å; Y239-F283 AromaticContact CD1-CD1 3.62Å; Y239-F283 HydrophobicContact CD1-CD1 3.62Å; Y239-F283 AromaticContact CD1-CD2 3.97Å; Y239-F283 HydrophobicContact CD1-CD2 3.97Å; Y239-F283 AromaticContact CD1-CE1 3.87Å; Y239-F283 HydrophobicContact CD1-CE1 3.87Å; Y239-F283 HydrophobicContact CD1-CE2 4.19Å; Y239-F283 AromaticContact CD1-CG 3.68Å; Y239-F283 HydrophobicContact CD1-CG 3.68Å; Y239-F283 HydrophobicContact CD1-CZ 4.14Å; Y239-F283 HydrophobicContact CD2-CD2 4.17Å; Y239-F283 AromaticContact CD2-CE2 3.99Å; Y239-F283 HydrophobicContact CD2-CE2 3.99Å; Y239-F283 HydrophobicContact CD2-CZ 4.36Å; Y239-F283 HydrophobicContact CE1-CB 3.88Å; Y239-F283 HydrophobicContact CE1-CD1 4.15Å; Y239-F283 HydrophobicContact CE1-CD2 4.09Å; Y239-F283 AromaticContact CE1-CG 3.79Å; Y239-F283 HydrophobicContact CE1-CG 3.79Å; Y239-F283 HydrophobicContact CE2-CD2 4.3Å; Y239-F283 HydrophobicContact CG-CD1 4.13Å; Y239-F283 HydrophobicContact CG-CD2 4.02Å; Y239-F283 AromaticContact CG-CE1 3.94Å; Y239-F283 HydrophobicContact CG-CE1 3.94Å; Y239-F283 AromaticContact CG-CE2 3.82Å; Y239-F283 HydrophobicContact CG-CE2 3.82Å; Y239-F283 HydrophobicContact CG-CG 4.18Å; Y239-F283 AromaticContact CG-CZ 3.78Å; Y239-F283 HydrophobicContact CG-CZ 3.78Å; M279-F283 HydrophobicContact CB-CD2 4.45Å; M279-F283 HydrophobicContact CB-CE2 3.95Å; M279-F283 HydrophobicContact CB-CZ 4.24Å; M279-F283 HydrophobicContact CE-CD1 4.32Å; M279-F283 HydrophobicContact CE-CE1 3.44Å; M279-F283 VanDerWaalsContact CE-CE1 3.44Å; M279-F283 HydrophobicContact CE-CE2 4.2Å; M279-F283 HydrophobicContact CE-CZ 3.37Å; M279-F283 WeakPolarHBondContact O-CB 3.5Å; M279-F283 WeakPolarHBondContact O-CD2 3.41Å; M279-F283 WeakPolarHBondContact O-CG 3.44Å; M279-F283 PolarHBondContact O-N 3.46Å; W280-F283 PolarHBondContact O-N 2.69Å; W280-F283 VanDerWaalsContact O-N 3.16Å; C281-F283 VanDerWaalsContact C-N 3.3Å; C281-F283 PolarHBondContact O-N 2.95Å; F283-A285 HydrophobicContact CB-CB 4.34Å; F283-A285 PolarHBondContact O-N 2.91Å; F283-Q320 VanDerWaalsContact O-CG 3.28Å; F283-Q320 WeakPolarHBondContact O-CG 3.39Å; F283-Q320 PolarHBondContact O-OE1 2.63Å; F283-A321 HydrophobicContact CD1-CB 4.37Å; F283-W333 HydrophobicContact CE1-CE3 4.02Å; F283-W333 AromaticContact CE1-CH2 3.92Å; F283-W333 HydrophobicContact CE1-CH2 3.92Å; F283-W333 AromaticContact CE1-CZ3 3.59Å; F283-W333 HydrophobicContact CE1-CZ3 3.59Å; F283-W333 HydrophobicContact CZ-CH2 4.06Å; F283-W333 HydrophobicContact CZ-CZ3 4.21Å |
| 284 | A | 98.4 | Very high | 97.7 | Very high | 0 Ų | 0 | 8.4 Ų | 8.4 | 0% | 0 | 4% | 0.039 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 54.3 | 43.6 | -167.9 | 0 | 0 | 0 | 0 | 0 | 110.8 | P30 W255 W280 C281 M282 R335 | P30-A284 HydrophobicContact CG-CB 4.1Å; P30-A284 WeakPolarHBondContact CG-O 2.96Å; W255-A284 HydrophobicContact CE3-CB 3.79Å; W255-A284 HydrophobicContact CZ3-CB 3.6Å; W280-A284 PolarHBondContact O-N 3.44Å; C281-A284 PolarHBondContact O-N 3.27Å; M282-A284 PolarHBondContact O-N 3.26Å; A284-R335 VanDerWaalsContact CA-NH1 3.3Å |
| 285 | A | 98.5 | Very high | 97.5 | Very high | 0 Ų | 0 | 11.3 Ų | 11.3 | 0% | 0 | 5% | 0.054 | C | C | . | . | trans | -82.9 | 152.5 | -175.4 | 0 | 0 | 0 | 0 | 0 | 111.5 | P30 P258 W280 F283 L287 D313 | P30-A285 VanDerWaalsContact CB-O 3.26Å; P30-A285 WeakPolarHBondContact CB-O 3.25Å; P258-A285 VanDerWaalsContact CD-CB 3.41Å; P258-A285 HydrophobicContact CG-CB 3.39Å; W280-A285 HydrophobicContact CB-CB 4.14Å; W280-A285 HydrophobicContact CG-CB 4.09Å; W280-A285 WeakPolarHBondContact O-CB 3.45Å; W280-A285 PolarHBondContact O-N 3.14Å; W280-A285 VanDerWaalsContact O-N 3.11Å; F283-A285 HydrophobicContact CB-CB 4.34Å; F283-A285 PolarHBondContact O-N 2.91Å; A285-L287 PolarHBondContact O-N 2.8Å; A285-D313 VanDerWaalsContact O-OD2 3.07Å | ||
| 286 | P | 98.6 | Very high | 97.3 | Very high | 0 Ų | 0 | 12.5 Ų | 12.5 | 0% | 0 | 6% | 0.061 | C | C | . | . | trans | -51.5 | 126.9 | 161.4 | -26.7 | 37 | 0 | 0 | 0 | 111.5 | P31 L218 N256 D257 I288 | P31-P286 HydrophobicContact CG-CB 4.01Å; P31-P286 HydrophobicContact CG-CG 4.19Å; P31-P286 CarbonylContact O-C 3.25Å; P31-P286 VanDerWaalsContact O-CA 3.28Å; P31-P286 WeakPolarHBondContact O-CA 3.38Å; L218-P286 HydrophobicContact CD1-CG 4.04Å; L218-P286 HydrophobicContact CD2-CG 3.5Å; L218-P286 VanDerWaalsContact CD2-CG 3.5Å; L218-P286 HydrophobicContact CG-CG 4.36Å; N256-P286 WeakPolarHBondContact O-CD 3.31Å; D257-P286 HydrophobicContact CB-CG 4.13Å; P286-I288 VanDerWaalsContact C-N 3.35Å; P286-I288 HydrophobicContact CB-CD1 4.38Å; P286-I288 HydrophobicContact CB-CG1 3.82Å; P286-I288 PolarHBondContact O-N 2.85Å | ||
| 287 | L | 98.8 | Very high | 97.2 | Very high | 0 Ų | 0 | 15 Ų | 15 | 0% | 0 | 8% | 0.075 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.7 | 73.4 | 173.8 | -53.6 | -177.1 | 0 | 0 | 0 | 109.3 | P31 M32 G33 Y76 L261 M277 W280 A285 L310 D313 | P31-L287 PolarHBondContact O-N 2.83Å; M32-L287 WeakPolarHBondContact CA-O 3.43Å; M32-L287 HydrophobicContact CB-CB 4.45Å; M32-L287 HydrophobicContact CE-CD1 4.22Å; M32-L287 HydrophobicContact CG-CB 4.07Å; M32-L287 HydrophobicContact CG-CD1 4.41Å; M32-L287 HydrophobicContact CG-CG 4.48Å; G33-L287 PolarHBondContact N-O 3.48Å; Y76-L287 HydrophobicContact CE1-CB 4.05Å; Y76-L287 WeakPolarHBondContact CE1-O 3.47Å; L261-L287 HydrophobicContact CD1-CB 3.88Å; L261-L287 HydrophobicContact CD1-CD2 4.02Å; L261-L287 HydrophobicContact CD1-CG 4.5Å; M277-L287 HydrophobicContact CE-CD1 4Å; W280-L287 HydrophobicContact CB-CD2 4.03Å; A285-L287 PolarHBondContact O-N 2.8Å; L287-L310 HydrophobicContact CD1-CD2 3.63Å; L287-D313 HydrophobicContact CD1-CB 3.91Å; L287-D313 VanDerWaalsContact CD1-OD1 3.32Å; L287-D313 WeakPolarHBondContact CD1-OD1 3.2Å; L287-D313 HydrophobicContact CG-CB 4.49Å; L287-D313 WeakPolarHBondContact CG-OD1 3.48Å |
| 288 | I | 98.6 | Very high | 97.1 | Very high | 5 Ų | 5 | 23.6 Ų | 23.6 | 3% | 0.026 | 12% | 0.115 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.2 | 105.4 | 179.5 | -52.9 | -54.5 | 0 | 0 | 0 | 109.6 | G33 N35 I80 M260 L261 P286 | G33-I288 WeakPolarHBondContact O-CA 3.43Å; N35-I288 HydrophobicContact CB-CG2 3.43Å; N35-I288 VanDerWaalsContact CB-CG2 3.43Å; I80-I288 HydrophobicContact CD1-CD1 4.12Å; I80-I288 HydrophobicContact CD1-CG1 4.46Å; I80-I288 HydrophobicContact CD1-CG2 4.09Å; M260-I288 CarbonylContact C-O 3.39Å; M260-I288 VanDerWaalsContact CA-O 3.31Å; M260-I288 WeakPolarHBondContact CA-O 3.43Å; M260-I288 WeakPolarHBondContact CB-O 3.47Å; M260-I288 HydrophobicContact CG-CB 4.41Å; M260-I288 HydrophobicContact CG-CG2 4.14Å; L261-I288 PolarHBondContact N-O 2.99Å; P286-I288 VanDerWaalsContact C-N 3.35Å; P286-I288 HydrophobicContact CB-CD1 4.38Å; P286-I288 HydrophobicContact CB-CG1 3.82Å; P286-I288 PolarHBondContact O-N 2.85Å |
| 289 | I | 98.3 | Very high | 97 | Very high | 0 Ų | 0 | 25.7 Ų | 25.7 | 0% | 0 | 12% | 0.124 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -71.8 | 141.1 | 178.9 | -59 | 166.7 | 0 | 0 | 0 | 110 | G33 W34 N35 Y76 T291 M293 L304 | G33-I289 PolarHBondContact O-N 3.39Å; W34-I289 CarbonylContact C-O 3.43Å; W34-I289 WeakPolarHBondContact CA-O 3.04Å; N35-I289 PolarHBondContact N-O 3.29Å; Y76-I289 HydrophobicContact CD1-CD1 3.56Å; Y76-I289 HydrophobicContact CD1-CG1 4.06Å; Y76-I289 HydrophobicContact CE1-CD1 3.44Å; Y76-I289 VanDerWaalsContact CE1-CD1 3.44Å; Y76-I289 HydrophobicContact CE1-CG1 3.75Å; Y76-I289 HydrophobicContact CE2-CD1 4.41Å; Y76-I289 HydrophobicContact CG-CD1 4.14Å; I289-T291 HydrophobicContact CG2-CG2 3.53Å; I289-M293 HydrophobicContact CD1-CE 4.46Å; I289-M293 HydrophobicContact CG2-SD 3.95Å; I289-L304 HydrophobicContact CD1-CD1 3.9Å; I289-L304 HydrophobicContact CD1-CD2 3.92Å; I289-L304 HydrophobicContact CD1-CG 4.41Å; I289-L304 HydrophobicContact CG1-CD1 4.25Å; I289-L304 HydrophobicContact CG1-CD2 3.79Å |
| 290 | S | 97.1 | Very high | 97 | Very high | 0 Ų | 0 | 25.7 Ų | 25.7 | 0% | 0 | 12% | 0.124 | C | C | . | . | trans | -138.5 | 85.7 | 167.8 | -167.3 | 0 | 0 | 0 | 0 | 110.5 | N35 Q38 Q39 M260 L261 N265 | N35-S290 WeakPolarHBondContact O-CA 3.25Å; N35-S290 WeakPolarHBondContact O-CB 3.4Å; N35-S290 PolarHBondContact O-OG 2.74Å; Q38-S290 WeakPolarHBondContact CA-OG 3.32Å; Q38-S290 WeakPolarHBondContact CB-OG 3.22Å; Q38-S290 PolarHBondContact N-OG 3.37Å; Q39-S290 PolarHBondContact N-OG 3.02Å; M260-S290 VanDerWaalsContact SD-CB 3.57Å; L261-S290 PolarHBondContact O-N 3.45Å; N265-S290 PolarHBondContact ND2-O 3.03Å | ||
| 291 | T | 94.9 | Very high | 97 | Very high | 2 Ų | 2 | 26.6 Ų | 26.6 | 1% | 0.012 | 13% | 0.131 | C | C | . | . | S | Bend | trans | -155.3 | 159.6 | -178.1 | -165.5 | 0 | 0 | 0 | 0 | 110.3 | W34 Q39 L263 G264 N265 I289 M293 V296 | W34-T291 PolarHBondContact NE1-O 3.19Å; Q39-T291 PolarHBondContact OE1-O 3.04Å; L263-T291 VanDerWaalsContact O-CB 3.31Å; L263-T291 WeakPolarHBondContact O-CB 3.49Å; L263-T291 VanDerWaalsContact O-CG2 3.31Å; L263-T291 WeakPolarHBondContact O-CG2 3.46Å; G264-T291 PolarHBondContact O-OG1 2.62Å; N265-T291 PolarHBondContact N-OG1 2.88Å; N265-T291 WeakPolarHBondContact OD1-CA 3.48Å; N265-T291 VanDerWaalsContact OD1-CB 3.25Å; N265-T291 WeakPolarHBondContact OD1-CB 3.34Å; N265-T291 PolarHBondContact OD1-OG1 2.86Å; I289-T291 HydrophobicContact CG2-CG2 3.53Å; T291-M293 HydrophobicContact CG2-SD 3.84Å; T291-M293 PolarHBondContact O-N 3.32Å; T291-M293 VanDerWaalsContact O-N 3.08Å; T291-V296 HydrophobicContact CG2-CG2 3.48Å; T291-V296 VanDerWaalsContact CG2-CG2 3.48Å |
| 292 | D | 94.5 | Very high | 96.9 | Very high | 12 Ų | 12 | 29.6 Ų | 29.6 | 6% | 0.064 | 15% | 0.152 | C | C | . | . | trans | -68 | 105.4 | 174.7 | -170.4 | 2.2 | 0 | 0 | 0 | 109.8 | Q39 R61 D294 K295 V296 | Q39-D292 HydrophobicContact CG-CB 4.24Å; Q39-D292 VanDerWaalsContact NE2-CA 3.27Å; R61-D292 IonicContact NH1-OD1 2.64Å; R61-D292 PolarHBondContact NH1-OD1 3.13Å; R61-D292 IonicContact NH2-OD1 3.14Å; D292-D294 PolarHBondContact O-N 2.73Å; D292-D294 PolarHBondContact OD1-N 2.69Å; D292-K295 HydrophobicContact CB-CB 4.27Å; D292-K295 HydrophobicContact CB-CD 4.5Å; D292-K295 CarbonylContact O-C 3.51Å; D292-K295 WeakPolarHBondContact O-CA 3.37Å; D292-K295 PolarHBondContact O-N 2.66Å; D292-K295 VanDerWaalsContact OD2-CD 3.3Å; D292-K295 WeakPolarHBondContact OD2-CD 3.24Å; D292-K295 WeakPolarHBondContact OD2-CE 3.38Å; D292-K295 IonicContact OD2-NZ 3.19Å; D292-K295 PolarHBondContact OD2-NZ 2.84Å; D292-V296 PolarHBondContact O-N 3.42Å | ||
| 293 | M | 95.5 | Very high | 96.9 | Very high | 5 Ų | 5 | 29.8 Ų | 29.8 | 3% | 0.025 | 15% | 0.153 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -63 | -17.3 | -174.5 | -62.6 | -52.7 | -67.5 | 0 | 0 | 113.2 | T62 K65 L66 W71 I289 T291 K295 V296 | T62-M293 HydrophobicContact CG2-CB 4.47Å; T62-M293 HydrophobicContact CG2-CG 3.81Å; K65-M293 HydrophobicContact CB-CB 4.11Å; K65-M293 WeakPolarHBondContact CE-O 3.44Å; K65-M293 HydrophobicContact CG-CB 3.68Å; L66-M293 HydrophobicContact CD2-CE 3.83Å; L66-M293 HydrophobicContact CD2-CG 4.41Å; W71-M293 HydrophobicContact CD2-CE 3.77Å; W71-M293 VanDerWaalsContact CE2-CE 3.45Å; W71-M293 HydrophobicContact CG-CE 3.89Å; W71-M293 HydrophobicContact CZ2-CE 3.99Å; I289-M293 HydrophobicContact CD1-CE 4.46Å; I289-M293 HydrophobicContact CG2-SD 3.95Å; T291-M293 HydrophobicContact CG2-SD 3.84Å; T291-M293 PolarHBondContact O-N 3.32Å; T291-M293 VanDerWaalsContact O-N 3.08Å; M293-K295 VanDerWaalsContact C-N 3.32Å; M293-V296 HydrophobicContact CE-CG2 4.39Å; M293-V296 HydrophobicContact SD-CG2 4.12Å |
| 294 | D | 93.1 | Very high | 96.9 | Very high | 77 Ų | 77 | 29.8 Ų | 29.8 | 41% | 0.412 | 15% | 0.153 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -79.8 | -12.3 | 172 | -72.3 | -42.5 | 0 | 0 | 0 | 113.7 | R61 K65 D292 | R61-D294 WeakPolarHBondContact CD-OD2 3.35Å; R61-D294 IonicContact CZ-OD2 3.43Å; R61-D294 IonicContact NE-OD2 2.7Å; R61-D294 IonicContact NH1-OD2 2.66Å; R61-D294 PolarHBondContact NH1-OD2 3.43Å; K65-D294 WeakPolarHBondContact CD-OD1 3.47Å; K65-D294 WeakPolarHBondContact CE-OD1 3.32Å; D292-D294 PolarHBondContact O-N 2.73Å; D292-D294 PolarHBondContact OD1-N 2.69Å |
| 295 | K | 93 | Very high | 96.9 | Very high | 136 Ų | 136 | 33.8 Ų | 33.8 | 59% | 0.591 | 17% | 0.168 | S | C | * | . | S | Bend | trans | -128.4 | 11.7 | -171.6 | -60.7 | -177.9 | -173 | 158.1 | 0 | 114.3 | D292 M293 D297 | D292-K295 HydrophobicContact CB-CB 4.27Å; D292-K295 HydrophobicContact CB-CD 4.5Å; D292-K295 CarbonylContact O-C 3.51Å; D292-K295 WeakPolarHBondContact O-CA 3.37Å; D292-K295 PolarHBondContact O-N 2.66Å; D292-K295 VanDerWaalsContact OD2-CD 3.3Å; D292-K295 WeakPolarHBondContact OD2-CD 3.24Å; D292-K295 WeakPolarHBondContact OD2-CE 3.38Å; D292-K295 IonicContact OD2-NZ 3.19Å; D292-K295 PolarHBondContact OD2-NZ 2.84Å; M293-K295 VanDerWaalsContact C-N 3.32Å; K295-D297 PolarHBondContact O-N 2.65Å; K295-D297 VanDerWaalsContact O-N 3.16Å |
| 296 | V | 94.9 | Very high | 96.9 | Very high | 26 Ų | 26 | 34.8 Ų | 34.8 | 16% | 0.158 | 17% | 0.174 | C | C | . | . | trans | -60.1 | 120.1 | 175.6 | -175 | 0 | 0 | 0 | 0 | 109.3 | T291 D292 M293 A301 L304 | T291-V296 HydrophobicContact CG2-CG2 3.48Å; T291-V296 VanDerWaalsContact CG2-CG2 3.48Å; D292-V296 PolarHBondContact O-N 3.42Å; M293-V296 HydrophobicContact CE-CG2 4.39Å; M293-V296 HydrophobicContact SD-CG2 4.12Å; V296-A301 HydrophobicContact CG1-CB 3.97Å; V296-L304 HydrophobicContact CG1-CD1 4.49Å | ||
| 297 | D | 95.6 | Very high | 96.9 | Very high | 52 Ų | 52 | 42.1 Ų | 42.1 | 28% | 0.278 | 21% | 0.206 | S | C | . | . | trans | -66.6 | 154 | 176.9 | 70.7 | 89.3 | 0 | 0 | 0 | 111.8 | K273 K295 F299 S300 A301 | K273-D297 IonicContact NZ-OD1 2.62Å; K273-D297 PolarHBondContact NZ-OD1 3.24Å; K273-D297 IonicContact NZ-OD2 3.42Å; K273-D297 PolarHBondContact NZ-OD2 3.24Å; K295-D297 PolarHBondContact O-N 2.65Å; K295-D297 VanDerWaalsContact O-N 3.16Å; D297-F299 PolarHBondContact O-N 3.18Å; D297-F299 WeakPolarHBondContact OD1-CB 3.18Å; D297-F299 PolarHBondContact OD1-N 3.43Å; D297-F299 VanDerWaalsContact OD1-N 3.14Å; D297-S300 PolarHBondContact O-N 3.34Å; D297-S300 PolarHBondContact OD1-N 3.35Å; D297-S300 WeakPolarHBondContact OD2-CB 3.36Å; D297-S300 PolarHBondContact OD2-OG 3.49Å; D297-A301 WeakPolarHBondContact O-CB 3.33Å; D297-A301 PolarHBondContact O-N 3.37Å | ||
| 298 | Q | 96.8 | Very high | 96.8 | Very high | 181 Ų | 181 | 44.9 Ų | 44.9 | 85% | 0.846 | 22% | 0.219 | S | C | * | . | H | α-helix | trans | -58.7 | -33.7 | -174.8 | -69.4 | -178.5 | -2.9 | 0 | 0 | 113.4 | S302 | Q298-S302 WeakPolarHBondContact O-CB 3.35Å; Q298-S302 PolarHBondContact O-N 2.85Å |
| 299 | F | 97.6 | Very high | 96.8 | Very high | 44 Ų | 44 | 44.7 Ų | 44.7 | 19% | 0.193 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -73.5 | -44.1 | -179.6 | -174.9 | -89.9 | 0 | 0 | 0 | 111.3 | N270 K273 R274 D297 A301 S302 L303 | N270-F299 HydrophobicContact CB-CD1 3.89Å; N270-F299 HydrophobicContact CB-CD2 4.36Å; N270-F299 HydrophobicContact CB-CE1 3.5Å; N270-F299 VanDerWaalsContact CB-CE1 3.5Å; N270-F299 HydrophobicContact CB-CE2 4Å; N270-F299 HydrophobicContact CB-CG 4.31Å; N270-F299 HydrophobicContact CB-CZ 3.55Å; N270-F299 VanDerWaalsContact CG-CD1 3.49Å; N270-F299 WeakPolarHBondContact O-CE1 3.37Å; N270-F299 WeakPolarHBondContact O-CZ 3.34Å; N270-F299 VanDerWaalsContact OD1-CD1 3.25Å; N270-F299 WeakPolarHBondContact OD1-CD1 3.2Å; K273-F299 HydrophobicContact CB-CD1 4.34Å; K273-F299 HydrophobicContact CB-CE1 3.98Å; K273-F299 HydrophobicContact CD-CD1 3.9Å; K273-F299 HydrophobicContact CD-CE1 4.32Å; R274-F299 HydrophobicContact CG-CE1 4.38Å; R274-F299 HydrophobicContact CG-CZ 3.96Å; D297-F299 PolarHBondContact O-N 3.18Å; D297-F299 WeakPolarHBondContact OD1-CB 3.18Å; D297-F299 PolarHBondContact OD1-N 3.43Å; D297-F299 VanDerWaalsContact OD1-N 3.14Å; F299-A301 VanDerWaalsContact C-N 3.3Å; F299-A301 PolarHBondContact O-N 3.13Å; F299-S302 PolarHBondContact O-N 2.89Å; F299-S302 PolarHBondContact O-OG 3.41Å; F299-L303 HydrophobicContact CD1-CD1 4.08Å; F299-L303 HydrophobicContact CE1-CD1 3.6Å; F299-L303 HydrophobicContact CE1-CG 4.2Å; F299-L303 HydrophobicContact CZ-CD1 4.32Å; F299-L303 WeakPolarHBondContact O-CG 3.36Å; F299-L303 PolarHBondContact O-N 3.28Å |
| 300 | S | 98 | Very high | 96.8 | Very high | 0 Ų | 0 | 45.4 Ų | 45.4 | 0% | 0 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -61.8 | -40.3 | 171.5 | -79.2 | 0 | 0 | 0 | 0 | 111.9 | G264 K273 D297 L303 L304 | G264-S300 PolarHBondContact N-OG 2.89Å; K273-S300 WeakPolarHBondContact CD-OG 3.44Å; K273-S300 WeakPolarHBondContact CE-OG 3.39Å; K273-S300 PolarHBondContact NZ-OG 3.19Å; D297-S300 PolarHBondContact O-N 3.34Å; D297-S300 PolarHBondContact OD1-N 3.35Å; D297-S300 WeakPolarHBondContact OD2-CB 3.36Å; D297-S300 PolarHBondContact OD2-OG 3.49Å; S300-L303 PolarHBondContact O-N 3.32Å; S300-L304 WeakPolarHBondContact O-CG 3.5Å; S300-L304 PolarHBondContact O-N 3.14Å |
| 301 | A | 98 | Very high | 96.8 | Very high | 18 Ų | 18 | 48.1 Ų | 48.1 | 15% | 0.149 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -64.3 | -40 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | W71 V296 D297 F299 L303 L304 R305 | W71-A301 HydrophobicContact CH2-CB 3.99Å; W71-A301 HydrophobicContact CZ2-CB 4.35Å; V296-A301 HydrophobicContact CG1-CB 3.97Å; D297-A301 WeakPolarHBondContact O-CB 3.33Å; D297-A301 PolarHBondContact O-N 3.37Å; F299-A301 VanDerWaalsContact C-N 3.3Å; F299-A301 PolarHBondContact O-N 3.13Å; A301-L303 VanDerWaalsContact C-N 3.31Å; A301-L303 PolarHBondContact O-N 2.93Å; A301-L304 PolarHBondContact O-N 2.92Å; A301-R305 WeakPolarHBondContact O-CB 3.49Å; A301-R305 WeakPolarHBondContact O-CG 3.15Å; A301-R305 PolarHBondContact O-N 3.01Å |
| 302 | S | 98.1 | Very high | 97 | Very high | 63 Ų | 63 | 48.2 Ų | 48.2 | 44% | 0.441 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -64.5 | -36.3 | 178.6 | 74.6 | 0 | 0 | 0 | 0 | 112.2 | Q298 F299 N306 | Q298-S302 WeakPolarHBondContact O-CB 3.35Å; Q298-S302 PolarHBondContact O-N 2.85Å; F299-S302 PolarHBondContact O-N 2.89Å; F299-S302 PolarHBondContact O-OG 3.41Å; S302-N306 WeakPolarHBondContact O-CB 3.45Å; S302-N306 PolarHBondContact O-N 3.45Å; S302-N306 VanDerWaalsContact O-N 3.13Å |
| 303 | L | 98.6 | Very high | 97.2 | Very high | 5 Ų | 5 | 47.6 Ų | 47.6 | 3% | 0.026 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -67.4 | -50.1 | 174.5 | -67.5 | 177.4 | 0 | 0 | 0 | 112.2 | K273 R274 M277 F299 S300 A301 R305 N306 L309 F385 | K273-L303 HydrophobicContact CB-CD1 3.85Å; R274-L303 HydrophobicContact CG-CD1 4.26Å; R274-L303 HydrophobicContact CG-CD2 3.92Å; M277-L303 HydrophobicContact CB-CB 4.34Å; M277-L303 HydrophobicContact CG-CB 4.23Å; F299-L303 HydrophobicContact CD1-CD1 4.08Å; F299-L303 HydrophobicContact CE1-CD1 3.6Å; F299-L303 HydrophobicContact CE1-CG 4.2Å; F299-L303 HydrophobicContact CZ-CD1 4.32Å; F299-L303 WeakPolarHBondContact O-CG 3.36Å; F299-L303 PolarHBondContact O-N 3.28Å; S300-L303 PolarHBondContact O-N 3.32Å; A301-L303 VanDerWaalsContact C-N 3.31Å; A301-L303 PolarHBondContact O-N 2.93Å; L303-R305 PolarHBondContact O-N 3.03Å; L303-N306 WeakPolarHBondContact O-CB 3.38Å; L303-N306 PolarHBondContact O-N 2.87Å; L303-N306 VanDerWaalsContact O-N 3.12Å; L303-L309 HydrophobicContact CD2-CD1 4.14Å; L303-F385 HydrophobicContact CD2-CD1 3.89Å; L303-F385 HydrophobicContact CD2-CE1 4.2Å |
| 304 | L | 98.5 | Very high | 97.3 | Very high | 0 Ų | 0 | 49.7 Ų | 49.7 | 0% | 0 | 25% | 0.25 | C | S | . | . | H | α-helix | trans | -62.3 | -26.7 | -180 | -70.3 | 167.3 | 0 | 0 | 0 | 112.7 | W71 Y76 L261 L263 M277 I289 V296 S300 A301 | W71-L304 HydrophobicContact CH2-CB 4.05Å; W71-L304 HydrophobicContact CH2-CD1 4.18Å; W71-L304 HydrophobicContact CZ3-CB 3.6Å; W71-L304 HydrophobicContact CZ3-CD1 4.27Å; Y76-L304 PolarHBondContact OH-O 3.43Å; L261-L304 HydrophobicContact CD1-CD2 3.72Å; L263-L304 HydrophobicContact CB-CD1 4.19Å; L263-L304 HydrophobicContact CB-CG 4.35Å; L263-L304 HydrophobicContact CD1-CD2 3.76Å; L263-L304 HydrophobicContact CD1-CG 3.94Å; M277-L304 HydrophobicContact SD-CD2 4.14Å; I289-L304 HydrophobicContact CD1-CD1 3.9Å; I289-L304 HydrophobicContact CD1-CD2 3.92Å; I289-L304 HydrophobicContact CD1-CG 4.41Å; I289-L304 HydrophobicContact CG1-CD1 4.25Å; I289-L304 HydrophobicContact CG1-CD2 3.79Å; V296-L304 HydrophobicContact CG1-CD1 4.49Å; S300-L304 WeakPolarHBondContact O-CG 3.5Å; S300-L304 PolarHBondContact O-N 3.14Å; A301-L304 PolarHBondContact O-N 2.92Å |
| 305 | R | 98.4 | Very high | 97.5 | Very high | 83 Ų | 83 | 46 Ų | 46 | 31% | 0.313 | 23% | 0.231 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -95.7 | -3.9 | 178.5 | -60.8 | 179.4 | 177 | -98.9 | 2.3 | 113.9 | D69 W71 L74 A301 L303 K307 | D69-R305 VanDerWaalsContact O-CZ 3.24Å; D69-R305 PolarHBondContact O-NH1 2.84Å; D69-R305 PolarHBondContact O-NH2 2.99Å; W71-R305 HydrophobicContact CE3-CG 4.23Å; W71-R305 HydrophobicContact CH2-CG 3.89Å; W71-R305 VanDerWaalsContact CZ2-NH2 3.31Å; W71-R305 HydrophobicContact CZ3-CG 3.51Å; L74-R305 HydrophobicContact CD1-CB 3.96Å; L74-R305 HydrophobicContact CD1-CG 3.55Å; A301-R305 WeakPolarHBondContact O-CB 3.49Å; A301-R305 WeakPolarHBondContact O-CG 3.15Å; A301-R305 PolarHBondContact O-N 3.01Å; L303-R305 PolarHBondContact O-N 3.03Å; R305-K307 PolarHBondContact O-N 3.2Å |
| 306 | N | 98.5 | Very high | 97.6 | Very high | 22 Ų | 22 | 48.8 Ų | 48.8 | 12% | 0.118 | 24% | 0.238 | C | C | . | . | trans | -67.3 | 111.2 | -171.8 | -177.6 | -39.7 | 0 | 0 | 0 | 110.3 | S302 L303 H308 L309 L310 V384 F385 | S302-N306 WeakPolarHBondContact O-CB 3.45Å; S302-N306 PolarHBondContact O-N 3.45Å; S302-N306 VanDerWaalsContact O-N 3.13Å; L303-N306 WeakPolarHBondContact O-CB 3.38Å; L303-N306 PolarHBondContact O-N 2.87Å; L303-N306 VanDerWaalsContact O-N 3.12Å; N306-H308 PolarHBondContact O-N 2.7Å; N306-H308 VanDerWaalsContact O-N 3.13Å; N306-H308 WeakPolarHBondContact OD1-CA 3.49Å; N306-H308 WeakPolarHBondContact OD1-CB 3.16Å; N306-H308 PolarHBondContact OD1-N 3.25Å; N306-L309 HydrophobicContact CB-CB 4.13Å; N306-L309 HydrophobicContact CB-CD1 3.86Å; N306-L309 HydrophobicContact CB-CG 4.16Å; N306-L309 PolarHBondContact O-N 3.36Å; N306-L309 VanDerWaalsContact O-N 3.13Å; N306-L309 PolarHBondContact OD1-N 2.92Å; N306-L310 WeakPolarHBondContact O-CG 3.23Å; N306-L310 PolarHBondContact O-N 2.9Å; N306-V384 PolarHBondContact ND2-O 3.4Å; N306-V384 VanDerWaalsContact ND2-O 3.16Å; N306-V384 PolarHBondContact OD1-O 3.05Å; N306-F385 PolarHBondContact ND2-O 3.43Å | ||
| 307 | K | 97.8 | Very high | 97.6 | Very high | 154 Ų | 154 | 48.2 Ų | 48.2 | 67% | 0.67 | 24% | 0.237 | S | C | * | . | H | α-helix | trans | -55.7 | -30.2 | -179.1 | 67.9 | -177.1 | -177.6 | -179.1 | 0 | 114.1 | R305 A311 | R305-K307 PolarHBondContact O-N 3.2Å; K307-A311 WeakPolarHBondContact O-CB 3.39Å; K307-A311 PolarHBondContact O-N 2.9Å |
| 308 | H | 97.5 | Very high | 97.6 | Very high | 58 Ų | 58 | 45.8 Ų | 45.8 | 27% | 0.269 | 23% | 0.225 | S | C | . | . | H | α-helix | trans | -77.8 | -39.5 | 179.8 | -58.7 | -79.9 | 0 | 0 | 0 | 111.5 | N306 I312 V384 G387 | N306-H308 PolarHBondContact O-N 2.7Å; N306-H308 VanDerWaalsContact O-N 3.13Å; N306-H308 WeakPolarHBondContact OD1-CA 3.49Å; N306-H308 WeakPolarHBondContact OD1-CB 3.16Å; N306-H308 PolarHBondContact OD1-N 3.25Å; H308-I312 WeakPolarHBondContact O-CG1 3.5Å; H308-I312 PolarHBondContact O-N 3.09Å; H308-V384 HydrophobicContact CB-CG1 4.02Å; H308-V384 WeakPolarHBondContact CB-O 3.13Å; H308-G387 VanDerWaalsContact NE2-CA 3.34Å; H308-G387 WeakPolarHBondContact NE2-CA 3.47Å |
| 309 | L | 98.6 | Very high | 97.6 | Very high | 0 Ų | 0 | 39.4 Ų | 39.4 | 0% | 0 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -63.5 | -49.6 | 171.7 | -73.7 | 170.1 | 0 | 0 | 0 | 110.5 | M277 C281 L303 N306 A311 I312 D313 V384 F385 M410 | M277-L309 HydrophobicContact CB-CD1 4.45Å; M277-L309 HydrophobicContact CE-CB 4.29Å; M277-L309 HydrophobicContact CG-CD1 3.67Å; C281-L309 HydrophobicContact CB-CD2 4.46Å; L303-L309 HydrophobicContact CD2-CD1 4.14Å; N306-L309 HydrophobicContact CB-CB 4.13Å; N306-L309 HydrophobicContact CB-CD1 3.86Å; N306-L309 HydrophobicContact CB-CG 4.16Å; N306-L309 PolarHBondContact O-N 3.36Å; N306-L309 VanDerWaalsContact O-N 3.13Å; N306-L309 PolarHBondContact OD1-N 2.92Å; L309-A311 VanDerWaalsContact C-N 3.3Å; L309-A311 PolarHBondContact O-N 3.35Å; L309-I312 PolarHBondContact O-N 3.24Å; L309-I312 VanDerWaalsContact O-N 3.09Å; L309-D313 PolarHBondContact O-N 3.24Å; L309-V384 HydrophobicContact CD2-CG1 3.5Å; L309-V384 VanDerWaalsContact CD2-CG1 3.5Å; L309-V384 HydrophobicContact CG-CG1 3.78Å; L309-F385 HydrophobicContact CD1-CD1 4.07Å; L309-F385 HydrophobicContact CD1-CE1 4.01Å; L309-F385 HydrophobicContact CD2-CE1 4.12Å; L309-M410 HydrophobicContact CD2-CE 4.16Å; L309-M410 HydrophobicContact CD2-SD 4.17Å |
| 310 | L | 98.3 | Very high | 97.6 | Very high | 15 Ų | 15 | 37.4 Ų | 37.4 | 8% | 0.079 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -61.3 | -37.3 | 178.8 | -64.7 | -177.3 | 0 | 0 | 0 | 112.4 | M32 L74 M277 L287 N306 I312 D313 Q314 | M32-L310 HydrophobicContact CE-CD1 4.35Å; M32-L310 HydrophobicContact CE-CD2 3.54Å; L74-L310 HydrophobicContact CB-CD1 4.44Å; L74-L310 HydrophobicContact CD2-CD1 4.36Å; M277-L310 HydrophobicContact CE-CD2 4.05Å; L287-L310 HydrophobicContact CD1-CD2 3.63Å; N306-L310 WeakPolarHBondContact O-CG 3.23Å; N306-L310 PolarHBondContact O-N 2.9Å; L310-I312 VanDerWaalsContact C-N 3.32Å; L310-I312 PolarHBondContact O-N 2.88Å; L310-D313 PolarHBondContact O-N 3.16Å; L310-Q314 VanDerWaalsContact O-CB 3.26Å; L310-Q314 WeakPolarHBondContact O-CB 3.47Å; L310-Q314 WeakPolarHBondContact O-CG 3.41Å; L310-Q314 PolarHBondContact O-N 3.27Å |
| 311 | A | 97.3 | Very high | 97.7 | Very high | 58 Ų | 58 | 37.4 Ų | 37.4 | 48% | 0.479 | 19% | 0.186 | S | C | . | . | H | α-helix | trans | -66.7 | -31 | 175.9 | 0 | 0 | 0 | 0 | 0 | 113.3 | K307 L309 D315 | K307-A311 WeakPolarHBondContact O-CB 3.39Å; K307-A311 PolarHBondContact O-N 2.9Å; L309-A311 VanDerWaalsContact C-N 3.3Å; L309-A311 PolarHBondContact O-N 3.35Å; A311-D315 PolarHBondContact O-N 2.76Å |
| 312 | I | 98.1 | Very high | 97.7 | Very high | 3 Ų | 3 | 36.6 Ų | 36.6 | 2% | 0.015 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -71.6 | -46.9 | 173.2 | -69.8 | 172.1 | 0 | 0 | 0 | 109.9 | C281 M282 H308 L309 L310 D315 R335 L337 A345 V384 M410 | C281-I312 HydrophobicContact CB-CG2 4.38Å; M282-I312 HydrophobicContact SD-CG2 4.44Å; H308-I312 WeakPolarHBondContact O-CG1 3.5Å; H308-I312 PolarHBondContact O-N 3.09Å; L309-I312 PolarHBondContact O-N 3.24Å; L309-I312 VanDerWaalsContact O-N 3.09Å; L310-I312 VanDerWaalsContact C-N 3.32Å; L310-I312 PolarHBondContact O-N 2.88Å; I312-D315 WeakPolarHBondContact O-CB 3.31Å; I312-D315 PolarHBondContact O-N 3.37Å; I312-R335 PolarHBondContact O-NH1 3.35Å; I312-R335 PolarHBondContact O-NH2 3.33Å; I312-R335 VanDerWaalsContact O-NH2 3.11Å; I312-L337 HydrophobicContact CG1-CD1 4.02Å; I312-L337 HydrophobicContact CG2-CD2 4.31Å; I312-A345 HydrophobicContact CD1-CB 3.85Å; I312-A345 HydrophobicContact CG1-CB 4.31Å; I312-A345 HydrophobicContact CG2-CB 4.22Å; I312-V384 HydrophobicContact CD1-CB 4.32Å; I312-V384 HydrophobicContact CD1-CG1 3.69Å; I312-V384 HydrophobicContact CD1-CG2 3.57Å; I312-M410 HydrophobicContact CD1-CE 4.31Å |
| 313 | D | 98.3 | Very high | 97.7 | Very high | 0 Ų | 0 | 35.3 Ų | 35.3 | 0% | 0 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -59.4 | -52 | -179.9 | -177.4 | -106.7 | 0 | 0 | 0 | 111.9 | C281 A285 L287 L309 L310 D315 R335 | C281-D313 HydrophobicContact CB-CB 4.1Å; A285-D313 VanDerWaalsContact O-OD2 3.07Å; L287-D313 HydrophobicContact CD1-CB 3.91Å; L287-D313 VanDerWaalsContact CD1-OD1 3.32Å; L287-D313 WeakPolarHBondContact CD1-OD1 3.2Å; L287-D313 HydrophobicContact CG-CB 4.49Å; L287-D313 WeakPolarHBondContact CG-OD1 3.48Å; L309-D313 PolarHBondContact O-N 3.24Å; L310-D313 PolarHBondContact O-N 3.16Å; D313-D315 PolarHBondContact O-N 2.66Å; D313-R335 PolarHBondContact O-NH2 3.1Å |
| 314 | Q | 97.9 | Very high | 97.7 | Very high | 48 Ų | 48 | 36.5 Ų | 36.5 | 22% | 0.224 | 17% | 0.172 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -82.9 | 13 | -175 | -62.4 | -65.3 | -63.9 | 0 | 0 | 114.2 | T29 P30 M32 L310 R316 | T29-Q314 VanDerWaalsContact CB-OE1 3.29Å; T29-Q314 WeakPolarHBondContact CG2-O 3.35Å; T29-Q314 PolarHBondContact OG1-OE1 2.64Å; P30-Q314 PolarHBondContact O-NE2 3.08Å; M32-Q314 HydrophobicContact SD-CG 3.93Å; L310-Q314 VanDerWaalsContact O-CB 3.26Å; L310-Q314 WeakPolarHBondContact O-CB 3.47Å; L310-Q314 WeakPolarHBondContact O-CG 3.41Å; L310-Q314 PolarHBondContact O-N 3.27Å; Q314-R316 PolarHBondContact O-N 3.06Å |
| 315 | D | 97.9 | Very high | 97.6 | Very high | 1 Ų | 1 | 40 Ų | 40 | 1% | 0.005 | 19% | 0.187 | C | C | . | . | trans | -57.1 | 124.7 | 177 | 178.3 | 88.4 | 0 | 0 | 0 | 111.5 | A311 I312 D313 G317 G318 L337 N338 D339 | A311-D315 PolarHBondContact O-N 2.76Å; I312-D315 WeakPolarHBondContact O-CB 3.31Å; I312-D315 PolarHBondContact O-N 3.37Å; D313-D315 PolarHBondContact O-N 2.66Å; D315-G317 PolarHBondContact O-N 2.82Å; D315-G317 VanDerWaalsContact O-N 3.15Å; D315-G317 VanDerWaalsContact OD2-CA 3.28Å; D315-G317 WeakPolarHBondContact OD2-CA 3.39Å; D315-G317 PolarHBondContact OD2-N 3.19Å; D315-G318 PolarHBondContact O-N 3.08Å; D315-L337 HydrophobicContact CB-CD2 3.62Å; D315-L337 WeakPolarHBondContact OD1-CA 3.32Å; D315-N338 PolarHBondContact OD1-N 3.42Å; D315-N338 PolarHBondContact OD2-N 2.95Å; D315-N338 VanDerWaalsContact OD2-N 3.16Å; D315-D339 WeakPolarHBondContact CA-OD2 3.27Å; D315-D339 WeakPolarHBondContact OD1-CB 3.45Å; D315-D339 PolarHBondContact OD1-N 2.85Å | ||
| 316 | R | 95.7 | Very high | 97.6 | Very high | 193 Ų | 193 | 38.8 Ų | 38.8 | 73% | 0.728 | 19% | 0.191 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -65.8 | -16.3 | -175.8 | -66.7 | 177.7 | 177.9 | -170.8 | 0.4 | 114.5 | Q314 G318 D339 | Q314-R316 PolarHBondContact O-N 3.06Å; R316-G318 PolarHBondContact O-N 3.32Å; R316-D339 WeakPolarHBondContact CB-OD1 3.5Å; R316-D339 WeakPolarHBondContact CD-OD1 3.28Å; R316-D339 WeakPolarHBondContact CG-OD2 3.48Å; R316-D339 PolarHBondContact N-OD2 3.27Å |
| 317 | G | 94 | Very high | 97.5 | Very high | 14 Ų | 14 | 41.2 Ų | 41.2 | 14% | 0.144 | 20% | 0.199 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -65.1 | -29.7 | 171.8 | 0 | 0 | 0 | 0 | 0 | 112 | D315 H319 N338 | D315-G317 PolarHBondContact O-N 2.82Å; D315-G317 VanDerWaalsContact O-N 3.15Å; D315-G317 VanDerWaalsContact OD2-CA 3.28Å; D315-G317 WeakPolarHBondContact OD2-CA 3.39Å; D315-G317 PolarHBondContact OD2-N 3.19Å; G317-H319 PolarHBondContact O-N 3.45Å; G317-N338 WeakPolarHBondContact CA-ND2 3.47Å |
| 318 | G | 95.8 | Very high | 97.4 | Very high | 2 Ų | 2 | 39 Ų | 39 | 2% | 0.021 | 19% | 0.194 | C | C | . | . | trans | 63.9 | 23.6 | 175.7 | 0 | 0 | 0 | 0 | 0 | 114.6 | W255 D315 R316 Q320 | W255-G318 WeakPolarHBondContact CZ3-O 3.12Å; D315-G318 PolarHBondContact O-N 3.08Å; R316-G318 PolarHBondContact O-N 3.32Å; G318-Q320 PolarHBondContact O-N 3.41Å | ||
| 319 | H | 97.3 | Very high | 97.4 | Very high | 47 Ų | 47 | 40.3 Ų | 40.3 | 22% | 0.218 | 20% | 0.203 | C | C | . | . | P | Polyproline II helix | trans | -77.5 | 119.2 | 178.2 | -63.2 | -52.9 | 0 | 0 | 0 | 110 | G317 R335 Q336 N338 Y372 | G317-H319 PolarHBondContact O-N 3.45Å; H319-R335 VanDerWaalsContact O-CD 3.25Å; H319-R335 WeakPolarHBondContact O-CD 3.3Å; H319-R335 VanDerWaalsContact O-CG 3.3Å; H319-R335 WeakPolarHBondContact O-CG 3.47Å; H319-R335 VanDerWaalsContact O-CZ 3.25Å; H319-R335 PolarHBondContact O-NE 3.39Å; H319-Q336 HydrophobicContact CB-CB 4.3Å; H319-Q336 WeakPolarHBondContact CB-O 3.5Å; H319-N338 PolarHBondContact NE2-ND2 2.8Å; H319-Y372 HydrophobicContact CB-CE1 4.29Å; H319-Y372 WeakPolarHBondContact CB-OH 3.39Å |
| 320 | Q | 98.1 | Very high | 97.4 | Very high | 2 Ų | 2 | 40.3 Ų | 40.3 | 1% | 0.009 | 20% | 0.203 | C | C | . | . | P | Polyproline II helix | trans | -74.4 | 147.1 | 170.8 | 169.2 | 172 | -44.8 | 0 | 0 | 110.7 | L246 P247 A250 N256 F283 G318 Y372 | L246-Q320 VanDerWaalsContact CB-NE2 3.26Å; P247-Q320 HydrophobicContact CB-CG 4.49Å; A250-Q320 HydrophobicContact CB-CB 3.77Å; N256-Q320 PolarHBondContact ND2-OE1 3Å; F283-Q320 VanDerWaalsContact O-CG 3.28Å; F283-Q320 WeakPolarHBondContact O-CG 3.39Å; F283-Q320 PolarHBondContact O-OE1 2.63Å; G318-Q320 PolarHBondContact O-N 3.41Å; Q320-Y372 VanDerWaalsContact O-CE2 3.26Å; Q320-Y372 WeakPolarHBondContact O-CE2 3.25Å; Q320-Y372 PolarHBondContact O-OH 3.09Å |
| 321 | A | 98.5 | Very high | 97.4 | Very high | 0 Ų | 0 | 39.8 Ų | 39.8 | 0% | 0 | 20% | 0.2 | C | C | . | . | P | Polyproline II helix | trans | -62.5 | 150.5 | 176.4 | 0 | 0 | 0 | 0 | 0 | 113.9 | M282 F283 I334 R335 | M282-A321 HydrophobicContact CB-CB 3.84Å; M282-A321 HydrophobicContact CE-CB 3.94Å; M282-A321 WeakPolarHBondContact O-CB 3.3Å; M282-A321 PolarHBondContact O-N 2.82Å; F283-A321 HydrophobicContact CD1-CB 4.37Å; A321-I334 CarbonylContact C-O 3.5Å; A321-I334 WeakPolarHBondContact CA-O 3.13Å; A321-I334 WeakPolarHBondContact CB-O 3.11Å; A321-R335 HydrophobicContact CB-CB 4.01Å |
| 322 | E | 98.5 | Very high | 97.5 | Very high | 0 Ų | 0 | 37 Ų | 37 | 0% | 0 | 18% | 0.177 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.4 | 141.3 | 169.2 | -72.8 | -167.7 | 177.4 | 0 | 0 | 112.3 | N243 P247 W333 I334 S369 Q370 M371 Y372 | N243-E322 WeakPolarHBondContact OD1-CA 3.17Å; P247-E322 HydrophobicContact CB-CG 3.84Å; P247-E322 HydrophobicContact CG-CG 3.78Å; E322-W333 VanDerWaalsContact C-CE3 3.5Å; E322-W333 WeakPolarHBondContact O-CA 3.47Å; E322-I334 PolarHBondContact N-O 2.82Å; E322-I334 PolarHBondContact O-N 2.77Å; E322-S369 WeakPolarHBondContact OE2-CB 3.28Å; E322-S369 PolarHBondContact OE2-OG 2.77Å; E322-Q370 PolarHBondContact OE2-N 3.16Å; E322-M371 VanDerWaalsContact OE1-CB 3.25Å; E322-M371 WeakPolarHBondContact OE1-CB 3.3Å; E322-M371 WeakPolarHBondContact OE1-CG 3.38Å; E322-M371 PolarHBondContact OE2-N 3.47Å; E322-M371 VanDerWaalsContact OE2-N 3.08Å; E322-Y372 HydrophobicContact CB-CD2 4.27Å; E322-Y372 HydrophobicContact CB-CE2 4.34Å; E322-Y372 HydrophobicContact CG-CD2 4.13Å; E322-Y372 HydrophobicContact CG-CE2 3.84Å |
| 323 | F | 98.5 | Very high | 97.5 | Very high | 36 Ų | 36 | 36.9 Ų | 36.9 | 16% | 0.158 | 18% | 0.177 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -70.1 | 136.7 | 167.4 | 177.5 | -106.1 | 0 | 0 | 0 | 110.3 | K240 N243 K325 S326 Q331 W333 | K240-F323 HydrophobicContact CB-CD2 4.31Å; K240-F323 HydrophobicContact CB-CG 4.3Å; K240-F323 HydrophobicContact CD-CD1 4.46Å; K240-F323 HydrophobicContact CD-CD2 3.91Å; K240-F323 HydrophobicContact CD-CE1 4.18Å; K240-F323 HydrophobicContact CD-CE2 3.59Å; K240-F323 HydrophobicContact CD-CG 4.33Å; K240-F323 HydrophobicContact CD-CZ 3.72Å; K240-F323 HydrophobicContact CG-CB 4.4Å; K240-F323 HydrophobicContact CG-CD1 3.86Å; K240-F323 HydrophobicContact CG-CD2 3.81Å; K240-F323 HydrophobicContact CG-CE1 3.99Å; K240-F323 HydrophobicContact CG-CE2 3.95Å; K240-F323 HydrophobicContact CG-CG 3.75Å; K240-F323 HydrophobicContact CG-CZ 4.02Å; N243-F323 HydrophobicContact CB-CB 4.27Å; N243-F323 PolarHBondContact OD1-N 2.76Å; F323-K325 WeakPolarHBondContact CE2-O 3.28Å; F323-K325 VanDerWaalsContact CZ-CA 3.41Å; F323-S326 WeakPolarHBondContact CZ-OG 3.39Å; F323-Q331 HydrophobicContact CE2-CB 4.09Å; F323-Q331 HydrophobicContact CE2-CG 4.28Å; F323-W333 VanDerWaalsContact CA-CE3 3.43Å; F323-W333 HydrophobicContact CB-CD2 4.23Å; F323-W333 HydrophobicContact CB-CE3 3.79Å; F323-W333 HydrophobicContact CB-CH2 3.83Å; F323-W333 HydrophobicContact CB-CZ2 4.25Å; F323-W333 HydrophobicContact CB-CZ3 3.57Å; F323-W333 HydrophobicContact CD2-CD2 4.18Å; F323-W333 AromaticContact CD2-CE2 3.76Å; F323-W333 HydrophobicContact CD2-CH2 4.26Å; F323-W333 AromaticContact CD2-CZ2 3.82Å; F323-W333 HydrophobicContact CD2-CZ2 3.82Å; F323-W333 HydrophobicContact CG-CH2 4.46Å; F323-W333 HydrophobicContact CG-CZ2 4.45Å; F323-W333 VanDerWaalsContact N-CE3 3.27Å |
| 324 | I | 98 | Very high | 97.5 | Very high | 30 Ų | 30 | 36.9 Ų | 36.9 | 15% | 0.154 | 18% | 0.177 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.8 | -68.2 | 177.4 | -52.9 | -65.8 | 0 | 0 | 0 | 110.3 | M332 I334 E366 K368 | I324-M332 HydrophobicContact CB-CB 4.01Å; I324-M332 WeakPolarHBondContact CB-O 3.26Å; I324-M332 HydrophobicContact CG1-CB 4.34Å; I324-M332 WeakPolarHBondContact CG1-O 3.49Å; I324-M332 PolarHBondContact N-O 2.97Å; I324-I334 HydrophobicContact CD1-CB 4.19Å; I324-I334 HydrophobicContact CD1-CG2 3.57Å; I324-I334 HydrophobicContact CG1-CG2 4.38Å; I324-E366 WeakPolarHBondContact CG2-O 3.2Å; I324-K368 VanDerWaalsContact CD1-C 3.4Å; I324-K368 WeakPolarHBondContact CD1-O 3.4Å |
| 325 | K | 97.6 | Very high | 97.5 | Very high | 74 Ų | 74 | 34.6 Ų | 34.6 | 32% | 0.322 | 17% | 0.166 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -169 | 167 | -174.9 | 64.2 | -163.4 | 171.2 | -178.3 | 0 | 110.3 | F323 M332 E366 | F323-K325 WeakPolarHBondContact CE2-O 3.28Å; F323-K325 VanDerWaalsContact CZ-CA 3.41Å; K325-M332 HydrophobicContact CG-SD 4.01Å; K325-M332 PolarHBondContact O-N 3.44Å; K325-E366 WeakPolarHBondContact CE-OE2 3.49Å; K325-E366 IonicContact NZ-OE2 3.51Å; K325-E366 PolarHBondContact NZ-OE2 2.85Å |
| 326 | S | 97.4 | Very high | 97.5 | Very high | 57 Ų | 57 | 37.5 Ų | 37.5 | 40% | 0.399 | 18% | 0.179 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.8 | 135.6 | 167.8 | -64.7 | 0 | 0 | 0 | 0 | 109.7 | K240 F323 V330 | K240-S326 PolarHBondContact NZ-OG 3.15Å; F323-S326 WeakPolarHBondContact CZ-OG 3.39Å; S326-V330 CarbonylContact C-O 3.6Å; S326-V330 VanDerWaalsContact CA-O 3.25Å; S326-V330 WeakPolarHBondContact CA-O 3.16Å |
| 327 | R | 97.3 | Very high | 97.5 | Very high | 73 Ų | 73 | 28.3 Ų | 28.3 | 28% | 0.275 | 15% | 0.145 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.5 | 126.9 | 173.7 | 175.8 | 172.2 | 69.8 | -151.4 | 0.2 | 109.3 | D329 V330 F360 T361 E366 | R327-D329 VanDerWaalsContact C-N 3.29Å; R327-D329 PolarHBondContact O-N 2.55Å; R327-V330 PolarHBondContact N-O 2.83Å; R327-V330 WeakPolarHBondContact O-CB 3.1Å; R327-V330 PolarHBondContact O-N 3.13Å; R327-F360 HydrophobicContact CB-CE2 4.13Å; R327-F360 HydrophobicContact CG-CE2 4.24Å; R327-T361 PolarHBondContact NH2-O 3.23Å; R327-E366 IonicContact CZ-OE1 3.78Å; R327-E366 IonicContact CZ-OE2 2.87Å; R327-E366 IonicContact NH1-OE1 3.79Å; R327-E366 PolarHBondContact NH1-OE1 3Å; R327-E366 IonicContact NH1-OE2 2.81Å; R327-E366 PolarHBondContact NH1-OE2 3.28Å; R327-E366 IonicContact NH2-OE1 3.74Å; R327-E366 PolarHBondContact NH2-OE1 2.99Å; R327-E366 IonicContact NH2-OE2 2.72Å |
| 328 | N | 95.6 | Very high | 97.4 | Very high | 109 Ų | 109 | 30.7 Ų | 30.7 | 58% | 0.583 | 15% | 0.154 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 52.4 | 46.2 | -179.4 | -53.3 | -21.7 | 0 | 0 | 0 | 112.4 | V330 I358 | N328-V330 PolarHBondContact O-N 3.24Å; N328-V330 VanDerWaalsContact O-N 3.08Å; N328-I358 HydrophobicContact CB-CD1 3.99Å |
| 329 | D | 96.7 | Very high | 96.8 | Very high | 84 Ų | 84 | 33 Ų | 33 | 45% | 0.449 | 17% | 0.166 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 58.4 | 16.3 | -174 | -45.7 | -50.6 | 0 | 0 | 0 | 115.1 | R327 Y350 T351 R352 | R327-D329 VanDerWaalsContact C-N 3.29Å; R327-D329 PolarHBondContact O-N 2.55Å; D329-Y350 HydrophobicContact CB-CD2 4.16Å; D329-Y350 HydrophobicContact CB-CE2 3.91Å; D329-T351 PolarHBondContact O-N 3.16Å; D329-T351 PolarHBondContact O-OG1 3.15Å; D329-R352 HydrophobicContact CB-CB 4.3Å |
| 330 | V | 98.4 | Very high | 95.6 | Very high | 0 Ų | 0 | 36.5 Ų | 36.5 | 0% | 0 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.3 | 118.6 | 171.7 | -178.4 | 0 | 0 | 0 | 0 | 109.7 | S326 R327 N328 C348 I349 Y350 I358 F360 I403 | S326-V330 CarbonylContact C-O 3.6Å; S326-V330 VanDerWaalsContact CA-O 3.25Å; S326-V330 WeakPolarHBondContact CA-O 3.16Å; R327-V330 PolarHBondContact N-O 2.83Å; R327-V330 WeakPolarHBondContact O-CB 3.1Å; R327-V330 PolarHBondContact O-N 3.13Å; N328-V330 PolarHBondContact O-N 3.24Å; N328-V330 VanDerWaalsContact O-N 3.08Å; V330-C348 HydrophobicContact CG1-CB 3.8Å; V330-I349 CarbonylContact C-O 3.5Å; V330-I349 WeakPolarHBondContact CA-O 3.39Å; V330-Y350 HydrophobicContact CG2-CD2 3.9Å; V330-Y350 HydrophobicContact CG2-CG 4.47Å; V330-I358 HydrophobicContact CG2-CD1 4.3Å; V330-I358 HydrophobicContact CG2-CG2 4.08Å; V330-F360 HydrophobicContact CB-CD2 3.79Å; V330-F360 HydrophobicContact CB-CE2 3.77Å; V330-F360 HydrophobicContact CB-CG 4.23Å; V330-F360 HydrophobicContact CB-CZ 4.21Å; V330-F360 HydrophobicContact CG1-CD1 4.05Å; V330-F360 HydrophobicContact CG1-CD2 4.1Å; V330-F360 HydrophobicContact CG1-CE1 4.05Å; V330-F360 HydrophobicContact CG1-CE2 4.1Å; V330-F360 HydrophobicContact CG1-CG 4.07Å; V330-F360 HydrophobicContact CG1-CZ 4.08Å; V330-F360 HydrophobicContact CG2-CB 4.28Å; V330-F360 HydrophobicContact CG2-CD2 3.66Å; V330-F360 HydrophobicContact CG2-CE2 4.17Å; V330-F360 HydrophobicContact CG2-CG 4.02Å; V330-I403 HydrophobicContact CG1-CD1 4.02Å; V330-I403 HydrophobicContact CG2-CD1 4.37Å |
| 331 | Q | 98.4 | Very high | 94.7 | Very high | 4 Ų | 4 | 39.4 Ų | 39.4 | 2% | 0.019 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.8 | 129.9 | 169.3 | -59.2 | -168.6 | 10.9 | 0 | 0 | 110.1 | D237 F323 C348 I349 T351 | D237-Q331 PolarHBondContact OD1-NE2 3.21Å; F323-Q331 HydrophobicContact CE2-CB 4.09Å; F323-Q331 HydrophobicContact CE2-CG 4.28Å; Q331-C348 CarbonylContact O-C 3.54Å; Q331-C348 VanDerWaalsContact O-CA 3.3Å; Q331-C348 WeakPolarHBondContact O-CA 3.43Å; Q331-I349 HydrophobicContact CB-CB 4.36Å; Q331-I349 PolarHBondContact N-O 2.77Å; Q331-I349 PolarHBondContact O-N 2.77Å; Q331-T351 HydrophobicContact CG-CG2 3.68Å |
| 332 | M | 98.7 | Very high | 94.1 | Very high | 0 Ų | 0 | 43.4 Ų | 43.4 | 0% | 0 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.5 | 133.9 | 176.6 | -62.2 | 171.8 | 73.1 | 0 | 0 | 110.4 | I324 K325 A347 F360 T362 E366 F367 | I324-M332 HydrophobicContact CB-CB 4.01Å; I324-M332 WeakPolarHBondContact CB-O 3.26Å; I324-M332 HydrophobicContact CG1-CB 4.34Å; I324-M332 WeakPolarHBondContact CG1-O 3.49Å; I324-M332 PolarHBondContact N-O 2.97Å; K325-M332 HydrophobicContact CG-SD 4.01Å; K325-M332 PolarHBondContact O-N 3.44Å; M332-A347 WeakPolarHBondContact CA-O 3.47Å; M332-F360 HydrophobicContact CE-CE1 4.43Å; M332-F360 HydrophobicContact CG-CE1 4.11Å; M332-F360 HydrophobicContact CG-CZ 4Å; M332-F360 HydrophobicContact SD-CE1 4.07Å; M332-F360 HydrophobicContact SD-CZ 3.71Å; M332-T362 VanDerWaalsContact CE-OG1 3.3Å; M332-T362 WeakPolarHBondContact CE-OG1 3.31Å; M332-E366 HydrophobicContact CE-CB 3.94Å; M332-F367 HydrophobicContact CB-CE1 4.06Å; M332-F367 HydrophobicContact CE-CD1 4.12Å; M332-F367 HydrophobicContact CE-CD2 3.89Å; M332-F367 HydrophobicContact CE-CE1 3.76Å; M332-F367 HydrophobicContact CE-CE2 3.53Å; M332-F367 HydrophobicContact CE-CG 4.19Å; M332-F367 HydrophobicContact CE-CZ 3.46Å; M332-F367 VanDerWaalsContact CE-CZ 3.46Å; M332-F367 HydrophobicContact CG-CE1 4.43Å |
| 333 | W | 98.8 | Very high | 93.8 | Very high | 1 Ų | 1 | 43.4 Ų | 43.4 | 0% | 0.004 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.4 | 151 | -178.7 | -60.2 | 82.5 | 0 | 0 | 0 | 111.1 | I236 K240 M279 M282 F283 E322 F323 I346 A347 | I236-W333 HydrophobicContact CG2-CZ2 3.83Å; K240-W333 HydrophobicContact CB-CH2 3.68Å; K240-W333 HydrophobicContact CB-CZ2 3.86Å; M279-W333 HydrophobicContact CE-CB 4.48Å; M279-W333 HydrophobicContact CE-CD2 3.6Å; M279-W333 HydrophobicContact CE-CE3 4.04Å; M279-W333 HydrophobicContact CE-CG 3.81Å; M279-W333 HydrophobicContact CE-CZ2 4.18Å; M279-W333 HydrophobicContact CE-CZ3 4.5Å; M282-W333 HydrophobicContact CE-CB 4.26Å; F283-W333 HydrophobicContact CE1-CE3 4.02Å; F283-W333 AromaticContact CE1-CH2 3.92Å; F283-W333 HydrophobicContact CE1-CH2 3.92Å; F283-W333 AromaticContact CE1-CZ3 3.59Å; F283-W333 HydrophobicContact CE1-CZ3 3.59Å; F283-W333 HydrophobicContact CZ-CH2 4.06Å; F283-W333 HydrophobicContact CZ-CZ3 4.21Å; E322-W333 VanDerWaalsContact C-CE3 3.5Å; E322-W333 WeakPolarHBondContact O-CA 3.47Å; F323-W333 VanDerWaalsContact CA-CE3 3.43Å; F323-W333 HydrophobicContact CB-CD2 4.23Å; F323-W333 HydrophobicContact CB-CE3 3.79Å; F323-W333 HydrophobicContact CB-CH2 3.83Å; F323-W333 HydrophobicContact CB-CZ2 4.25Å; F323-W333 HydrophobicContact CB-CZ3 3.57Å; F323-W333 HydrophobicContact CD2-CD2 4.18Å; F323-W333 AromaticContact CD2-CE2 3.76Å; F323-W333 HydrophobicContact CD2-CH2 4.26Å; F323-W333 AromaticContact CD2-CZ2 3.82Å; F323-W333 HydrophobicContact CD2-CZ2 3.82Å; F323-W333 HydrophobicContact CG-CH2 4.46Å; F323-W333 HydrophobicContact CG-CZ2 4.45Å; F323-W333 VanDerWaalsContact N-CE3 3.27Å; W333-I346 WeakPolarHBondContact O-CA 3.39Å; W333-A347 HydrophobicContact CB-CB 4.24Å; W333-A347 PolarHBondContact N-O 3.24Å; W333-A347 PolarHBondContact O-N 3.11Å |
| 334 | I | 98.6 | Very high | 93.8 | Very high | 0 Ų | 0 | 42.7 Ų | 42.7 | 0% | 0 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.7 | 145.4 | 173.5 | -169.4 | 170.4 | 0 | 0 | 0 | 111.2 | A321 E322 I324 W344 A345 I346 F367 Y372 I374 | A321-I334 CarbonylContact C-O 3.5Å; A321-I334 WeakPolarHBondContact CA-O 3.13Å; A321-I334 WeakPolarHBondContact CB-O 3.11Å; E322-I334 PolarHBondContact N-O 2.82Å; E322-I334 PolarHBondContact O-N 2.77Å; I324-I334 HydrophobicContact CD1-CB 4.19Å; I324-I334 HydrophobicContact CD1-CG2 3.57Å; I324-I334 HydrophobicContact CG1-CG2 4.38Å; I334-W344 HydrophobicContact CD1-CB 4.44Å; I334-W344 HydrophobicContact CD1-CG 4.28Å; I334-W344 HydrophobicContact CG1-CB 4.4Å; I334-A345 CarbonylContact C-O 3.54Å; I334-A345 WeakPolarHBondContact CA-O 3.49Å; I334-I346 HydrophobicContact CB-CG2 4.49Å; I334-I346 HydrophobicContact CG1-CG2 4.12Å; I334-F367 HydrophobicContact CB-CB 4.5Å; I334-F367 HydrophobicContact CD1-CB 4.07Å; I334-F367 WeakPolarHBondContact CD1-O 3.27Å; I334-Y372 HydrophobicContact CG2-CD2 4Å; I334-I374 HydrophobicContact CD1-CD1 3.87Å; I334-I374 HydrophobicContact CD1-CG1 3.51Å |
| 335 | R | 98.1 | Very high | 93.8 | Very high | 0 Ų | 0 | 41.2 Ų | 41.2 | 0% | 0 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.8 | 133.5 | 169.2 | 176 | 171.6 | 174.9 | 170.3 | 3.4 | 109.5 | C281 M282 A284 I312 D313 H319 A321 L337 W344 A345 | C281-R335 PolarHBondContact O-NH1 3.46Å; M282-R335 HydrophobicContact CE-CB 3.72Å; M282-R335 WeakPolarHBondContact O-CD 3.32Å; M282-R335 HydrophobicContact SD-CB 4.1Å; A284-R335 VanDerWaalsContact CA-NH1 3.3Å; I312-R335 PolarHBondContact O-NH1 3.35Å; I312-R335 PolarHBondContact O-NH2 3.33Å; I312-R335 VanDerWaalsContact O-NH2 3.11Å; D313-R335 PolarHBondContact O-NH2 3.1Å; H319-R335 VanDerWaalsContact O-CD 3.25Å; H319-R335 WeakPolarHBondContact O-CD 3.3Å; H319-R335 VanDerWaalsContact O-CG 3.3Å; H319-R335 WeakPolarHBondContact O-CG 3.47Å; H319-R335 VanDerWaalsContact O-CZ 3.25Å; H319-R335 PolarHBondContact O-NE 3.39Å; A321-R335 HydrophobicContact CB-CB 4.01Å; R335-L337 HydrophobicContact CG-CD2 3.95Å; R335-L337 HydrophobicContact CG-CG 4.49Å; R335-W344 CarbonylContact O-C 3.58Å; R335-W344 WeakPolarHBondContact O-CA 3.47Å; R335-W344 WeakPolarHBondContact O-CB 3.43Å; R335-A345 HydrophobicContact CB-CB 4.44Å; R335-A345 PolarHBondContact N-O 2.84Å; R335-A345 PolarHBondContact O-N 2.89Å |
| 336 | Q | 97.1 | Very high | 93.9 | Very high | 61 Ų | 61 | 37.8 Ų | 37.8 | 29% | 0.285 | 21% | 0.212 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -77.9 | 143.1 | 167.9 | -178.4 | 172.9 | 12.7 | 0 | 0 | 110.3 | H319 Y372 | H319-Q336 HydrophobicContact CB-CB 4.3Å; H319-Q336 WeakPolarHBondContact CB-O 3.5Å; Q336-Y372 HydrophobicContact CB-CD1 3.58Å; Q336-Y372 HydrophobicContact CB-CE1 3.74Å; Q336-Y372 HydrophobicContact CB-CG 4.16Å |
| 337 | L | 96.7 | Very high | 93.9 | Very high | 1 Ų | 1 | 35 Ų | 35 | 1% | 0.005 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.4 | 132.3 | -179.6 | -61.7 | 175.5 | 0 | 0 | 0 | 110.2 | I312 D315 R335 G343 A345 | I312-L337 HydrophobicContact CG1-CD1 4.02Å; I312-L337 HydrophobicContact CG2-CD2 4.31Å; D315-L337 HydrophobicContact CB-CD2 3.62Å; D315-L337 WeakPolarHBondContact OD1-CA 3.32Å; R335-L337 HydrophobicContact CG-CD2 3.95Å; R335-L337 HydrophobicContact CG-CG 4.49Å; L337-G343 PolarHBondContact N-O 2.98Å; L337-G343 PolarHBondContact O-N 3.01Å; L337-A345 HydrophobicContact CD1-CB 3.76Å |
| 338 | N | 92.1 | Very high | 94 | Very high | 64 Ų | 64 | 31.6 Ų | 31.6 | 34% | 0.342 | 18% | 0.18 | S | C | . | . | trans | -108.6 | -10.3 | -174 | -66 | 0.4 | 0 | 0 | 0 | 113.6 | D315 G317 H319 | D315-N338 PolarHBondContact OD1-N 3.42Å; D315-N338 PolarHBondContact OD2-N 2.95Å; D315-N338 VanDerWaalsContact OD2-N 3.16Å; G317-N338 WeakPolarHBondContact CA-ND2 3.47Å; H319-N338 PolarHBondContact NE2-ND2 2.8Å | ||
| 339 | D | 83 | Confident | 94.1 | Very high | 50 Ų | 50 | 26.4 Ų | 26.4 | 27% | 0.267 | 15% | 0.152 | S | C | . | . | S | Bend | trans | -79.4 | 151 | 172 | -76.6 | -29.6 | 0 | 0 | 0 | 111.5 | D315 R316 P341 V342 R412 | D315-D339 WeakPolarHBondContact CA-OD2 3.27Å; D315-D339 WeakPolarHBondContact OD1-CB 3.45Å; D315-D339 PolarHBondContact OD1-N 2.85Å; R316-D339 WeakPolarHBondContact CB-OD1 3.5Å; R316-D339 WeakPolarHBondContact CD-OD1 3.28Å; R316-D339 WeakPolarHBondContact CG-OD2 3.48Å; R316-D339 PolarHBondContact N-OD2 3.27Å; D339-P341 CarbonylContact O-C 3.57Å; D339-V342 PolarHBondContact O-N 3.29Å; D339-R412 PolarHBondContact O-NH2 2.71Å; D339-R412 VanDerWaalsContact O-NH2 3.14Å |
| 340 | C | 72.5 | Confident | 94.2 | Very high | 121 Ų | 121 | 23.3 Ų | 23.3 | 82% | 0.818 | 13% | 0.134 | S | C | * | . | S | Bend | trans | -66.5 | 129.8 | -174 | -74.6 | 0 | 0 | 0 | 0 | 112.4 | ||
| 341 | P | 77.9 | Confident | 94.1 | Very high | 63 Ų | 63 | 25.3 Ų | 25.3 | 41% | 0.409 | 15% | 0.146 | S | C | . | . | S | Bend | cis | -73.4 | 132.2 | -6 | 31.3 | -35.1 | 0 | 0 | 0 | 111.9 | D339 G343 R412 N414 | D339-P341 CarbonylContact O-C 3.57Å; P341-G343 PolarHBondContact O-N 3.5Å; P341-R412 VanDerWaalsContact O-CZ 3.25Å; P341-R412 PolarHBondContact O-NH1 2.79Å; P341-R412 PolarHBondContact O-NH2 2.87Å; P341-N414 HydrophobicContact CG-CB 4.45Å; P341-N414 WeakPolarHBondContact CG-OD1 3.03Å |
| 342 | V | 85.5 | Confident | 93.9 | Very high | 83 Ų | 83 | 30.1 Ų | 30.1 | 50% | 0.503 | 17% | 0.165 | S | C | . | . | P | Polyproline II helix | trans | -55.8 | 136.6 | 171.4 | -179.8 | 0 | 0 | 0 | 0 | 108.4 | D339 P415 | D339-V342 PolarHBondContact O-N 3.29Å; V342-P415 VanDerWaalsContact O-CD 3.27Å; V342-P415 WeakPolarHBondContact O-CD 3.49Å; V342-P415 WeakPolarHBondContact O-CG 3.49Å |
| 343 | G | 93.5 | Very high | 93.3 | Very high | 1 Ų | 1 | 32.8 Ų | 32.8 | 1% | 0.01 | 19% | 0.192 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 173.2 | -139 | -177.3 | 0 | 0 | 0 | 0 | 0 | 111.5 | L337 P341 | L337-G343 PolarHBondContact N-O 2.98Å; L337-G343 PolarHBondContact O-N 3.01Å; P341-G343 PolarHBondContact O-N 3.5Å |
| 344 | W | 97.7 | Very high | 92.8 | Very high | 20 Ų | 20 | 37.1 Ų | 37.1 | 8% | 0.076 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.4 | 161.9 | -176.8 | -54.4 | -95.7 | 0 | 0 | 0 | 111.3 | I334 R335 T373 I374 S375 F379 V413 P415 | I334-W344 HydrophobicContact CD1-CB 4.44Å; I334-W344 HydrophobicContact CD1-CG 4.28Å; I334-W344 HydrophobicContact CG1-CB 4.4Å; R335-W344 CarbonylContact O-C 3.58Å; R335-W344 WeakPolarHBondContact O-CA 3.47Å; R335-W344 WeakPolarHBondContact O-CB 3.43Å; W344-T373 PolarHBondContact NE1-O 2.89Å; W344-I374 HydrophobicContact CB-CG1 4.47Å; W344-I374 HydrophobicContact CD2-CB 4.32Å; W344-I374 HydrophobicContact CD2-CG1 3.91Å; W344-I374 HydrophobicContact CD2-CG2 4.21Å; W344-I374 HydrophobicContact CE3-CB 4.5Å; W344-I374 HydrophobicContact CE3-CG1 4.38Å; W344-I374 HydrophobicContact CE3-CG2 3.89Å; W344-I374 HydrophobicContact CG-CG1 3.92Å; W344-I374 HydrophobicContact CH2-CG2 4.27Å; W344-I374 HydrophobicContact CZ3-CG2 3.94Å; W344-S375 VanDerWaalsContact CH2-N 3.35Å; W344-S375 VanDerWaalsContact CH2-O 3.25Å; W344-S375 WeakPolarHBondContact CH2-O 3.46Å; W344-F379 HydrophobicContact CE3-CE1 4.49Å; W344-F379 HydrophobicContact CZ3-CD1 4.41Å; W344-F379 AromaticContact CZ3-CE1 3.81Å; W344-F379 HydrophobicContact CZ3-CE1 3.81Å; W344-V413 HydrophobicContact CB-CB 4.18Å; W344-V413 HydrophobicContact CB-CG2 4.48Å; W344-V413 HydrophobicContact CE3-CB 4.45Å; W344-V413 HydrophobicContact CE3-CG1 4.25Å; W344-V413 PolarHBondContact N-O 2.78Å; W344-V413 PolarHBondContact O-N 3.3Å; W344-P415 HydrophobicContact CZ3-CB 4.43Å; W344-P415 HydrophobicContact CZ3-CG 4.19Å |
| 345 | A | 98.3 | Very high | 92.3 | Very high | 0 Ų | 0 | 40.1 Ų | 40.1 | 0% | 0 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.5 | 141.1 | 156.8 | 0 | 0 | 0 | 0 | 0 | 108.8 | M282 I312 I334 R335 L337 F411 | M282-A345 HydrophobicContact CE-CB 4.29Å; M282-A345 HydrophobicContact SD-CB 3.64Å; I312-A345 HydrophobicContact CD1-CB 3.85Å; I312-A345 HydrophobicContact CG1-CB 4.31Å; I312-A345 HydrophobicContact CG2-CB 4.22Å; I334-A345 CarbonylContact C-O 3.54Å; I334-A345 WeakPolarHBondContact CA-O 3.49Å; R335-A345 HydrophobicContact CB-CB 4.44Å; R335-A345 PolarHBondContact N-O 2.84Å; R335-A345 PolarHBondContact O-N 2.89Å; L337-A345 HydrophobicContact CD1-CB 3.76Å; A345-F411 VanDerWaalsContact CA-O 3.32Å; A345-F411 WeakPolarHBondContact CA-O 3.43Å |
| 346 | I | 98.6 | Very high | 92.1 | Very high | 1 Ų | 1 | 42.2 Ų | 42.2 | 1% | 0.005 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.6 | 146.9 | 173.2 | 59.9 | 173.1 | 0 | 0 | 0 | 109.4 | W333 I334 L364 F367 I374 F399 M410 F411 V413 | W333-I346 WeakPolarHBondContact O-CA 3.39Å; I334-I346 HydrophobicContact CB-CG2 4.49Å; I334-I346 HydrophobicContact CG1-CG2 4.12Å; I346-L364 HydrophobicContact CD1-CD2 3.79Å; I346-F367 HydrophobicContact CB-CD1 3.71Å; I346-F367 HydrophobicContact CB-CE1 3.65Å; I346-F367 HydrophobicContact CB-CG 4.29Å; I346-F367 HydrophobicContact CB-CZ 4.17Å; I346-F367 HydrophobicContact CD1-CD2 4.3Å; I346-F367 HydrophobicContact CD1-CE1 4.25Å; I346-F367 HydrophobicContact CD1-CE2 3.9Å; I346-F367 HydrophobicContact CD1-CZ 3.86Å; I346-F367 HydrophobicContact CG1-CE1 4.43Å; I346-F367 HydrophobicContact CG1-CZ 4.48Å; I346-F367 HydrophobicContact CG2-CB 4.03Å; I346-F367 HydrophobicContact CG2-CD1 3.52Å; I346-F367 HydrophobicContact CG2-CD2 4.38Å; I346-F367 HydrophobicContact CG2-CE1 4.01Å; I346-F367 HydrophobicContact CG2-CG 3.73Å; I346-I374 HydrophobicContact CG2-CD1 4.18Å; I346-F399 HydrophobicContact CD1-CZ 4.45Å; I346-M410 VanDerWaalsContact O-CA 3.31Å; I346-M410 WeakPolarHBondContact O-CA 3.39Å; I346-F411 HydrophobicContact CD1-CB 4.23Å; I346-F411 HydrophobicContact CD1-CD2 4.08Å; I346-F411 HydrophobicContact CG1-CB 3.84Å; I346-F411 HydrophobicContact CG1-CD2 4.14Å; I346-F411 PolarHBondContact N-O 3.4Å; I346-F411 PolarHBondContact O-N 3.19Å; I346-V413 HydrophobicContact CB-CG2 4.46Å; I346-V413 HydrophobicContact CD1-CG2 3.95Å; I346-V413 HydrophobicContact CG1-CG2 3.83Å; I346-V413 HydrophobicContact CG2-CG2 3.97Å |
| 347 | A | 98.8 | Very high | 92.1 | Very high | 0 Ų | 0 | 43.4 Ų | 43.4 | 0% | 0 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.9 | 139.2 | 176.3 | 0 | 0 | 0 | 0 | 0 | 111.5 | M279 M282 M332 W333 I408 M409 M410 | M279-A347 HydrophobicContact SD-CB 4.18Å; M282-A347 HydrophobicContact CE-CB 4.2Å; M282-A347 HydrophobicContact CG-CB 4.23Å; M332-A347 WeakPolarHBondContact CA-O 3.47Å; W333-A347 HydrophobicContact CB-CB 4.24Å; W333-A347 PolarHBondContact N-O 3.24Å; W333-A347 PolarHBondContact O-N 3.11Å; A347-I408 HydrophobicContact CB-CD1 4.06Å; A347-I408 HydrophobicContact CB-CG1 4.39Å; A347-M409 WeakPolarHBondContact CA-O 3.23Å; A347-M410 HydrophobicContact CB-CG 3.86Å |
| 348 | C | 98.7 | Very high | 92.2 | Very high | 0 Ų | 0 | 44.7 Ų | 44.7 | 0% | 0 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.5 | 113.3 | 172.6 | -68.1 | 0 | 0 | 0 | 0 | 108.8 | V330 Q331 I401 I403 I408 M409 | V330-C348 HydrophobicContact CG1-CB 3.8Å; Q331-C348 CarbonylContact O-C 3.54Å; Q331-C348 VanDerWaalsContact O-CA 3.3Å; Q331-C348 WeakPolarHBondContact O-CA 3.43Å; C348-I401 HydrophobicContact CB-CD1 4.39Å; C348-I403 HydrophobicContact CB-CD1 3.52Å; C348-I408 CarbonylContact O-C 3.42Å; C348-I408 VanDerWaalsContact O-CA 3.3Å; C348-I408 WeakPolarHBondContact O-CA 3.46Å; C348-M409 PolarHBondContact N-O 2.95Å; C348-M409 PolarHBondContact O-N 3.44Å |
| 349 | I | 98.6 | Very high | 92.4 | Very high | 0 Ų | 0 | 47.3 Ų | 47.3 | 0% | 0 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.9 | 122.2 | 178.8 | -50.8 | 169.6 | 0 | 0 | 0 | 108.7 | I236 V275 M279 V330 Q331 T351 G407 I408 | I236-I349 HydrophobicContact CG2-CD1 4.04Å; V275-I349 HydrophobicContact CG1-CD1 4.34Å; V275-I349 HydrophobicContact CG1-CG2 4.17Å; V275-I349 HydrophobicContact CG2-CG2 4.15Å; M279-I349 HydrophobicContact CE-CD1 4.2Å; M279-I349 HydrophobicContact CG-CD1 3.61Å; M279-I349 HydrophobicContact CG-CG1 4.41Å; M279-I349 HydrophobicContact SD-CD1 3.59Å; M279-I349 VanDerWaalsContact SD-CD1 3.59Å; M279-I349 HydrophobicContact SD-CG1 4.16Å; V330-I349 CarbonylContact C-O 3.5Å; V330-I349 WeakPolarHBondContact CA-O 3.39Å; Q331-I349 HydrophobicContact CB-CB 4.36Å; Q331-I349 PolarHBondContact N-O 2.77Å; Q331-I349 PolarHBondContact O-N 2.77Å; I349-T351 HydrophobicContact CG2-CG2 4.06Å; I349-T351 PolarHBondContact O-N 2.84Å; I349-G407 WeakPolarHBondContact CA-O 3.1Å; I349-I408 HydrophobicContact CG1-CB 4.41Å; I349-I408 HydrophobicContact CG1-CD1 3.91Å; I349-I408 HydrophobicContact CG1-CG1 3.93Å |
| 350 | Y | 98.2 | Very high | 93.1 | Very high | 19 Ų | 19 | 45.1 Ų | 45.1 | 8% | 0.075 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.8 | 103.1 | 170.4 | -173.4 | -148.1 | 0 | 0 | 0 | 109.4 | D329 V330 R352 I358 P405 S406 G407 | D329-Y350 HydrophobicContact CB-CD2 4.16Å; D329-Y350 HydrophobicContact CB-CE2 3.91Å; V330-Y350 HydrophobicContact CG2-CD2 3.9Å; V330-Y350 HydrophobicContact CG2-CG 4.47Å; Y350-R352 VanDerWaalsContact C-N 3.25Å; Y350-R352 HydrophobicContact CD2-CB 4.08Å; Y350-R352 HydrophobicContact CE1-CB 4.1Å; Y350-R352 HydrophobicContact CE2-CB 3.57Å; Y350-R352 PolarHBondContact O-N 3.19Å; Y350-R352 WeakPolarHBondContact OH-CD 3.39Å; Y350-I358 HydrophobicContact CD1-CB 4.24Å; Y350-I358 HydrophobicContact CD1-CG2 3.6Å; Y350-I358 HydrophobicContact CD2-CG2 3.8Å; Y350-I358 HydrophobicContact CE1-CB 3.97Å; Y350-I358 HydrophobicContact CE1-CG2 3.84Å; Y350-I358 HydrophobicContact CE2-CB 4.27Å; Y350-I358 HydrophobicContact CE2-CD1 4.18Å; Y350-I358 HydrophobicContact CE2-CG2 4Å; Y350-I358 HydrophobicContact CG-CG2 3.6Å; Y350-P405 HydrophobicContact CE1-CG 4.36Å; Y350-S406 VanDerWaalsContact O-CA 3.24Å; Y350-S406 WeakPolarHBondContact O-CA 3.05Å; Y350-S406 PolarHBondContact O-N 2.6Å; Y350-G407 PolarHBondContact N-O 3.02Å |
| 351 | T | 96.2 | Very high | 94.4 | Very high | 42 Ų | 42 | 42.4 Ų | 42.4 | 26% | 0.258 | 27% | 0.269 | S | S | . | . | trans | -79.7 | -9.1 | -169.9 | 56.5 | 0 | 0 | 0 | 0 | 113.8 | I233 D329 Q331 I349 G353 | I233-T351 HydrophobicContact CD1-CG2 4.08Å; D329-T351 PolarHBondContact O-N 3.16Å; D329-T351 PolarHBondContact O-OG1 3.15Å; Q331-T351 HydrophobicContact CG-CG2 3.68Å; I349-T351 HydrophobicContact CG2-CG2 4.06Å; I349-T351 PolarHBondContact O-N 2.84Å; T351-G353 PolarHBondContact O-N 2.91Å | ||
| 352 | R | 93.8 | Very high | 95.3 | Very high | 106 Ų | 106 | 39.4 Ų | 39.4 | 40% | 0.4 | 25% | 0.25 | S | S | . | . | trans | -70 | 127.2 | 174.1 | -166.5 | 174.3 | -176.5 | 162.6 | -4.8 | 109.7 | D329 Y350 D354 P405 S406 | D329-R352 HydrophobicContact CB-CB 4.3Å; Y350-R352 VanDerWaalsContact C-N 3.25Å; Y350-R352 HydrophobicContact CD2-CB 4.08Å; Y350-R352 HydrophobicContact CE1-CB 4.1Å; Y350-R352 HydrophobicContact CE2-CB 3.57Å; Y350-R352 PolarHBondContact O-N 3.19Å; Y350-R352 WeakPolarHBondContact OH-CD 3.39Å; R352-D354 WeakPolarHBondContact CD-OD1 3.33Å; R352-D354 WeakPolarHBondContact CG-O 3.43Å; R352-D354 WeakPolarHBondContact CG-OD1 3.38Å; R352-D354 IonicContact CZ-OD1 2.64Å; R352-D354 IonicContact CZ-OD2 3.85Å; R352-D354 VanDerWaalsContact NE-CG 3.33Å; R352-D354 IonicContact NE-OD1 2.62Å; R352-D354 PolarHBondContact NE-OD1 2.98Å; R352-D354 IonicContact NE-OD2 3.31Å; R352-D354 PolarHBondContact NE-OD2 2.99Å; R352-D354 IonicContact NH2-OD1 3.55Å; R352-D354 IonicContact NH2-OD2 3.92Å; R352-D354 PolarHBondContact NH2-OD2 3.26Å; R352-P405 CarbonylContact O-C 3Å; R352-P405 VanDerWaalsContact O-CA 3.25Å; R352-P405 WeakPolarHBondContact O-CA 3.5Å; R352-P405 WeakPolarHBondContact O-CB 3.12Å; R352-S406 PolarHBondContact O-N 2.03Å | ||
| 353 | G | 87.2 | Confident | 95.9 | Very high | 56 Ų | 56 | 36.5 Ų | 36.5 | 58% | 0.577 | 23% | 0.232 | S | C | * | . | trans | -91.4 | -14.9 | -179.3 | 0 | 0 | 0 | 0 | 0 | 114.4 | T351 | T351-G353 PolarHBondContact O-N 2.91Š| ||
| 354 | D | 87.7 | Confident | 96.2 | Very high | 91 Ų | 91 | 36.5 Ų | 36.5 | 49% | 0.487 | 23% | 0.231 | S | C | . | . | S | Bend | trans | -109.7 | 167.8 | 178.8 | 67 | -46.5 | 0 | 0 | 0 | 111.8 | R352 | R352-D354 WeakPolarHBondContact CD-OD1 3.33Å; R352-D354 WeakPolarHBondContact CG-O 3.43Å; R352-D354 WeakPolarHBondContact CG-OD1 3.38Å; R352-D354 IonicContact CZ-OD1 2.64Å; R352-D354 IonicContact CZ-OD2 3.85Å; R352-D354 VanDerWaalsContact NE-CG 3.33Å; R352-D354 IonicContact NE-OD1 2.62Å; R352-D354 PolarHBondContact NE-OD1 2.98Å; R352-D354 IonicContact NE-OD2 3.31Å; R352-D354 PolarHBondContact NE-OD2 2.99Å; R352-D354 IonicContact NH2-OD1 3.55Å; R352-D354 IonicContact NH2-OD2 3.92Å; R352-D354 PolarHBondContact NH2-OD2 3.26Å |
| 355 | G | 88.4 | Confident | 96.1 | Very high | 64 Ų | 64 | 39.5 Ų | 39.5 | 66% | 0.66 | 25% | 0.249 | S | C | * | . | S | Bend | trans | 86.9 | -160.4 | 177.4 | 0 | 0 | 0 | 0 | 0 | 114 | P405 | G355-P405 WeakPolarHBondContact O-CG 3.15Š|
| 356 | G | 94.2 | Very high | 96.1 | Very high | 44 Ų | 44 | 41.1 Ų | 41.1 | 45% | 0.454 | 26% | 0.257 | S | S | . | . | S | Bend | trans | -106.9 | 178.8 | 178.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | ||
| 357 | P | 96.4 | Very high | 96.1 | Very high | 85 Ų | 85 | 41.1 Ų | 41.1 | 55% | 0.552 | 26% | 0.257 | S | S | * | . | trans | -57.8 | 146.7 | 176.2 | -22.3 | 33.4 | 0 | 0 | 0 | 112.4 | I403 N404 | P357-I403 CarbonylContact C-O 3.57Å; P357-I403 VanDerWaalsContact CA-O 3.23Å; P357-I403 WeakPolarHBondContact CA-O 3.26Å; P357-N404 WeakPolarHBondContact CG-OD1 3.34Å | ||
| 358 | I | 97.7 | Very high | 96 | Very high | 29 Ų | 29 | 47.3 Ų | 47.3 | 15% | 0.149 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.3 | 138.2 | 171.2 | -171.8 | 168.6 | 0 | 0 | 0 | 110.3 | N328 V330 Y350 F360 P402 I403 | N328-I358 HydrophobicContact CB-CD1 3.99Å; V330-I358 HydrophobicContact CG2-CD1 4.3Å; V330-I358 HydrophobicContact CG2-CG2 4.08Å; Y350-I358 HydrophobicContact CD1-CB 4.24Å; Y350-I358 HydrophobicContact CD1-CG2 3.6Å; Y350-I358 HydrophobicContact CD2-CG2 3.8Å; Y350-I358 HydrophobicContact CE1-CB 3.97Å; Y350-I358 HydrophobicContact CE1-CG2 3.84Å; Y350-I358 HydrophobicContact CE2-CB 4.27Å; Y350-I358 HydrophobicContact CE2-CD1 4.18Å; Y350-I358 HydrophobicContact CE2-CG2 4Å; Y350-I358 HydrophobicContact CG-CG2 3.6Å; I358-F360 PolarHBondContact O-N 3.14Å; I358-P402 WeakPolarHBondContact O-CA 3.42Å; I358-I403 HydrophobicContact CG2-CB 4.04Å; I358-I403 PolarHBondContact N-O 3.24Å; I358-I403 PolarHBondContact O-N 2.97Å |
| 359 | N | 97.9 | Very high | 95.8 | Very high | 119 Ų | 119 | 48.1 Ų | 48.1 | 64% | 0.636 | 29% | 0.289 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -91.2 | 92.1 | 166.4 | -78.3 | -29.4 | 0 | 0 | 0 | 108.9 | T400 | N359-T400 HydrophobicContact CB-CG2 3.68Å |
| 360 | F | 98.1 | Very high | 95.6 | Very high | 3 Ų | 3 | 54.5 Ų | 54.5 | 1% | 0.013 | 32% | 0.319 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.7 | 110 | -175.7 | -177.4 | -106.4 | 0 | 0 | 0 | 111.4 | R327 V330 M332 I358 T362 T400 I401 I403 | R327-F360 HydrophobicContact CB-CE2 4.13Å; R327-F360 HydrophobicContact CG-CE2 4.24Å; V330-F360 HydrophobicContact CB-CD2 3.79Å; V330-F360 HydrophobicContact CB-CE2 3.77Å; V330-F360 HydrophobicContact CB-CG 4.23Å; V330-F360 HydrophobicContact CB-CZ 4.21Å; V330-F360 HydrophobicContact CG1-CD1 4.05Å; V330-F360 HydrophobicContact CG1-CD2 4.1Å; V330-F360 HydrophobicContact CG1-CE1 4.05Å; V330-F360 HydrophobicContact CG1-CE2 4.1Å; V330-F360 HydrophobicContact CG1-CG 4.07Å; V330-F360 HydrophobicContact CG1-CZ 4.08Å; V330-F360 HydrophobicContact CG2-CB 4.28Å; V330-F360 HydrophobicContact CG2-CD2 3.66Å; V330-F360 HydrophobicContact CG2-CE2 4.17Å; V330-F360 HydrophobicContact CG2-CG 4.02Å; M332-F360 HydrophobicContact CE-CE1 4.43Å; M332-F360 HydrophobicContact CG-CE1 4.11Å; M332-F360 HydrophobicContact CG-CZ 4Å; M332-F360 HydrophobicContact SD-CE1 4.07Å; M332-F360 HydrophobicContact SD-CZ 3.71Å; I358-F360 PolarHBondContact O-N 3.14Å; F360-T362 HydrophobicContact CD1-CG2 4.21Å; F360-T362 HydrophobicContact CE1-CG2 3.88Å; F360-T400 WeakPolarHBondContact O-CA 3.43Å; F360-I401 HydrophobicContact CD1-CD1 4.29Å; F360-I401 PolarHBondContact N-O 3.23Å; F360-I401 PolarHBondContact O-N 3.31Å; F360-I403 HydrophobicContact CB-CD1 4.02Å |
| 361 | T | 98.3 | Very high | 95.4 | Very high | 64 Ų | 64 | 57.8 Ų | 57.8 | 39% | 0.393 | 34% | 0.336 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.7 | 133.2 | 176.2 | -59.2 | 0 | 0 | 0 | 0 | 111.4 | R327 N398 F399 T400 | R327-T361 PolarHBondContact NH2-O 3.23Å; T361-N398 HydrophobicContact CG2-CB 4.06Å; T361-F399 WeakPolarHBondContact CA-O 3.5Å; T361-T400 PolarHBondContact OG1-OG1 3.21Å |
| 362 | T | 98.2 | Very high | 95.4 | Very high | 1 Ų | 1 | 56 Ų | 56 | 1% | 0.006 | 33% | 0.325 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -156 | -177.6 | 176.6 | -168.4 | 0 | 0 | 0 | 0 | 111.2 | M332 F360 E366 F367 N398 F399 I401 | M332-T362 VanDerWaalsContact CE-OG1 3.3Å; M332-T362 WeakPolarHBondContact CE-OG1 3.31Å; F360-T362 HydrophobicContact CD1-CG2 4.21Å; F360-T362 HydrophobicContact CE1-CG2 3.88Å; T362-E366 WeakPolarHBondContact CA-OE1 3.46Å; T362-E366 WeakPolarHBondContact CB-OE1 3.43Å; T362-E366 PolarHBondContact OG1-OE1 3.37Å; T362-F367 HydrophobicContact CG2-CE2 3.76Å; T362-F367 HydrophobicContact CG2-CZ 4.19Å; T362-N398 CarbonylContact O-C 3.42Å; T362-N398 VanDerWaalsContact O-CA 3.29Å; T362-N398 WeakPolarHBondContact O-CA 3.05Å; T362-F399 HydrophobicContact CG2-CE2 4.01Å; T362-F399 HydrophobicContact CG2-CZ 3.95Å; T362-F399 PolarHBondContact N-O 2.99Å; T362-F399 PolarHBondContact O-N 3.14Å; T362-I401 HydrophobicContact CG2-CD1 4.07Å |
| 363 | N | 98 | Very high | 95.4 | Very high | 22 Ų | 22 | 54.5 Ų | 54.5 | 12% | 0.118 | 33% | 0.327 | C | S | . | . | trans | -141.2 | 162.8 | 169.8 | 59.2 | 70.9 | 0 | 0 | 0 | 110.7 | N365 E366 E397 N398 | N363-N365 VanDerWaalsContact C-N 3.28Å; N363-N365 PolarHBondContact O-N 3.15Å; N363-N365 WeakPolarHBondContact OD1-CB 3.11Å; N363-N365 PolarHBondContact OD1-N 2.82Å; N363-E366 WeakPolarHBondContact O-CB 3.47Å; N363-E366 PolarHBondContact O-N 3.1Å; N363-E366 PolarHBondContact OD1-N 2.99Å; N363-E397 WeakPolarHBondContact CB-O 3.25Å; N363-N398 PolarHBondContact ND2-OD1 3.49Å | ||
| 364 | L | 98.2 | Very high | 95.8 | Very high | 0 Ų | 0 | 52.1 Ų | 52.1 | 0% | 0 | 30% | 0.301 | C | S | . | . | G | 310 helix | trans | -64.2 | -30 | -175 | -68.3 | 179.7 | 0 | 0 | 0 | 113.6 | I346 E366 F367 I374 F379 L381 V393 L395 F399 V413 | I346-L364 HydrophobicContact CD1-CD2 3.79Å; L364-E366 PolarHBondContact O-N 3.19Å; L364-F367 PolarHBondContact O-N 2.96Å; L364-I374 HydrophobicContact CB-CD1 4.15Å; L364-I374 HydrophobicContact CD2-CD1 3.99Å; L364-F379 HydrophobicContact CD1-CB 3.7Å; L364-F379 HydrophobicContact CD1-CD1 4.33Å; L364-F379 HydrophobicContact CD1-CD2 3.37Å; L364-F379 HydrophobicContact CD1-CE2 4.07Å; L364-F379 HydrophobicContact CD1-CG 3.53Å; L364-L381 HydrophobicContact CD1-CD2 4.26Å; L364-L381 HydrophobicContact CD2-CD2 4.04Å; L364-V393 HydrophobicContact CD1-CG2 3.61Å; L364-V393 HydrophobicContact CG-CG2 4.06Å; L364-L395 CarbonylContact C-O 2.89Å; L364-L395 HydrophobicContact CB-CD1 3.95Å; L364-L395 PolarHBondContact N-O 3.47Å; L364-F399 HydrophobicContact CD2-CE1 4.21Å; L364-F399 HydrophobicContact CD2-CZ 4.12Å; L364-F399 HydrophobicContact CG-CE1 4.1Å; L364-V413 HydrophobicContact CD1-CG1 3.86Å; L364-V413 HydrophobicContact CD2-CG1 4.22Å; L364-V413 HydrophobicContact CD2-CG2 4.09Å |
| 365 | N | 97.3 | Very high | 96 | Very high | 83 Ų | 83 | 51.5 Ų | 51.5 | 44% | 0.444 | 30% | 0.304 | S | S | . | . | G | 310 helix | trans | -62.7 | -21.9 | 175.2 | -174.4 | 79.8 | 0 | 0 | 0 | 112.6 | N363 F367 L395 K396 | N363-N365 VanDerWaalsContact C-N 3.28Å; N363-N365 PolarHBondContact O-N 3.15Å; N363-N365 WeakPolarHBondContact OD1-CB 3.11Å; N363-N365 PolarHBondContact OD1-N 2.82Å; N365-F367 VanDerWaalsContact C-N 3.34Å; N365-L395 HydrophobicContact CB-CD1 4.42Å; N365-L395 HydrophobicContact CB-CG 4.12Å; N365-L395 WeakPolarHBondContact CB-O 3.2Å; N365-L395 PolarHBondContact N-O 2.94Å; N365-K396 HydrophobicContact CB-CG 4.05Å |
| 366 | E | 97.7 | Very high | 96.2 | Very high | 35 Ų | 35 | 50.2 Ų | 50.2 | 16% | 0.164 | 29% | 0.291 | C | S | . | . | G | 310 helix | trans | -74.9 | -21.4 | 173.6 | -60.5 | -161.7 | -99.9 | 0 | 0 | 113.4 | I324 K325 R327 M332 T362 N363 L364 K368 | I324-E366 WeakPolarHBondContact CG2-O 3.2Å; K325-E366 WeakPolarHBondContact CE-OE2 3.49Å; K325-E366 IonicContact NZ-OE2 3.51Å; K325-E366 PolarHBondContact NZ-OE2 2.85Å; R327-E366 IonicContact CZ-OE1 3.78Å; R327-E366 IonicContact CZ-OE2 2.87Å; R327-E366 IonicContact NH1-OE1 3.79Å; R327-E366 PolarHBondContact NH1-OE1 3Å; R327-E366 IonicContact NH1-OE2 2.81Å; R327-E366 PolarHBondContact NH1-OE2 3.28Å; R327-E366 IonicContact NH2-OE1 3.74Å; R327-E366 PolarHBondContact NH2-OE1 2.99Å; R327-E366 IonicContact NH2-OE2 2.72Å; M332-E366 HydrophobicContact CE-CB 3.94Å; T362-E366 WeakPolarHBondContact CA-OE1 3.46Å; T362-E366 WeakPolarHBondContact CB-OE1 3.43Å; T362-E366 PolarHBondContact OG1-OE1 3.37Å; N363-E366 WeakPolarHBondContact O-CB 3.47Å; N363-E366 PolarHBondContact O-N 3.1Å; N363-E366 PolarHBondContact OD1-N 2.99Å; L364-E366 PolarHBondContact O-N 3.19Å; E366-K368 PolarHBondContact O-N 2.78Å |
| 367 | F | 98 | Very high | 96 | Very high | 1 Ų | 1 | 54.6 Ų | 54.6 | 0% | 0.004 | 30% | 0.304 | C | S | . | . | trans | -84.3 | 66.6 | 177.3 | -67.5 | -94.5 | 0 | 0 | 0 | 110.3 | M332 I334 I346 T362 L364 N365 I374 | M332-F367 HydrophobicContact CB-CE1 4.06Å; M332-F367 HydrophobicContact CE-CD1 4.12Å; M332-F367 HydrophobicContact CE-CD2 3.89Å; M332-F367 HydrophobicContact CE-CE1 3.76Å; M332-F367 HydrophobicContact CE-CE2 3.53Å; M332-F367 HydrophobicContact CE-CG 4.19Å; M332-F367 HydrophobicContact CE-CZ 3.46Å; M332-F367 VanDerWaalsContact CE-CZ 3.46Å; M332-F367 HydrophobicContact CG-CE1 4.43Å; I334-F367 HydrophobicContact CB-CB 4.5Å; I334-F367 HydrophobicContact CD1-CB 4.07Å; I334-F367 WeakPolarHBondContact CD1-O 3.27Å; I346-F367 HydrophobicContact CB-CD1 3.71Å; I346-F367 HydrophobicContact CB-CE1 3.65Å; I346-F367 HydrophobicContact CB-CG 4.29Å; I346-F367 HydrophobicContact CB-CZ 4.17Å; I346-F367 HydrophobicContact CD1-CD2 4.3Å; I346-F367 HydrophobicContact CD1-CE1 4.25Å; I346-F367 HydrophobicContact CD1-CE2 3.9Å; I346-F367 HydrophobicContact CD1-CZ 3.86Å; I346-F367 HydrophobicContact CG1-CE1 4.43Å; I346-F367 HydrophobicContact CG1-CZ 4.48Å; I346-F367 HydrophobicContact CG2-CB 4.03Å; I346-F367 HydrophobicContact CG2-CD1 3.52Å; I346-F367 HydrophobicContact CG2-CD2 4.38Å; I346-F367 HydrophobicContact CG2-CE1 4.01Å; I346-F367 HydrophobicContact CG2-CG 3.73Å; T362-F367 HydrophobicContact CG2-CE2 3.76Å; T362-F367 HydrophobicContact CG2-CZ 4.19Å; L364-F367 PolarHBondContact O-N 2.96Å; N365-F367 VanDerWaalsContact C-N 3.34Å; F367-I374 HydrophobicContact CB-CD1 3.95Å | ||
| 368 | K | 96.3 | Very high | 96 | Very high | 129 Ų | 129 | 55.7 Ų | 55.7 | 56% | 0.561 | 30% | 0.3 | S | S | * | . | B | Isolated β-bridge | trans | -122.4 | 125.2 | 175 | 179.9 | 175.8 | 179.9 | -179.5 | 0 | 110.1 | I324 E366 T373 | I324-K368 VanDerWaalsContact CD1-C 3.4Å; I324-K368 WeakPolarHBondContact CD1-O 3.4Å; E366-K368 PolarHBondContact O-N 2.78Å; K368-T373 HydrophobicContact CD-CG2 4.29Å; K368-T373 WeakPolarHBondContact CE-OG1 3.48Å; K368-T373 HydrophobicContact CG-CG2 4.45Å |
| 369 | S | 96 | Very high | 96 | Very high | 17 Ų | 17 | 54.3 Ų | 54.3 | 12% | 0.119 | 29% | 0.293 | C | S | . | . | trans | -112.8 | -167.6 | -179.4 | 81.8 | 0 | 0 | 0 | 0 | 110.9 | E322 M371 Y372 | E322-S369 WeakPolarHBondContact OE2-CB 3.28Å; E322-S369 PolarHBondContact OE2-OG 2.77Å; S369-M371 PolarHBondContact OG-N 2.76Å; S369-Y372 PolarHBondContact N-O 3.43Å; S369-Y372 PolarHBondContact OG-N 2.02Å | ||
| 370 | Q | 93.1 | Very high | 96 | Very high | 135 Ų | 135 | 51.4 Ų | 51.4 | 63% | 0.631 | 28% | 0.275 | S | S | * | . | S | Bend | trans | -69.5 | -44.4 | 175.9 | -63 | -176.4 | 4.3 | 0 | 0 | 110.9 | E322 | E322-Q370 PolarHBondContact OE2-N 3.16Š|
| 371 | M | 94.2 | Very high | 96 | Very high | 88 Ų | 88 | 51.2 Ų | 51.2 | 43% | 0.433 | 28% | 0.275 | S | S | . | . | S | Bend | trans | -95.2 | -24.6 | -177.3 | -67.5 | 178 | 58.4 | 0 | 0 | 113.9 | K248 E322 S369 | K248-M371 HydrophobicContact CG-SD 3.89Å; E322-M371 VanDerWaalsContact OE1-CB 3.25Å; E322-M371 WeakPolarHBondContact OE1-CB 3.3Å; E322-M371 WeakPolarHBondContact OE1-CG 3.38Å; E322-M371 PolarHBondContact OE2-N 3.47Å; E322-M371 VanDerWaalsContact OE2-N 3.08Å; S369-M371 PolarHBondContact OG-N 2.76Å |
| 372 | Y | 95.9 | Very high | 95.9 | Very high | 4 Ų | 4 | 49 Ų | 49 | 2% | 0.016 | 26% | 0.261 | C | S | . | . | trans | -121.3 | 136.9 | -168.6 | -48.3 | -51.1 | 0 | 0 | 0 | 112.6 | H319 Q320 E322 I334 Q336 S369 | H319-Y372 HydrophobicContact CB-CE1 4.29Å; H319-Y372 WeakPolarHBondContact CB-OH 3.39Å; Q320-Y372 VanDerWaalsContact O-CE2 3.26Å; Q320-Y372 WeakPolarHBondContact O-CE2 3.25Å; Q320-Y372 PolarHBondContact O-OH 3.09Å; E322-Y372 HydrophobicContact CB-CD2 4.27Å; E322-Y372 HydrophobicContact CB-CE2 4.34Å; E322-Y372 HydrophobicContact CG-CD2 4.13Å; E322-Y372 HydrophobicContact CG-CE2 3.84Å; I334-Y372 HydrophobicContact CG2-CD2 4Å; Q336-Y372 HydrophobicContact CB-CD1 3.58Å; Q336-Y372 HydrophobicContact CB-CE1 3.74Å; Q336-Y372 HydrophobicContact CB-CG 4.16Å; S369-Y372 PolarHBondContact N-O 3.43Å; S369-Y372 PolarHBondContact OG-N 2.02Å | ||
| 373 | T | 94.8 | Very high | 95.9 | Very high | 74 Ų | 74 | 49.8 Ų | 49.8 | 45% | 0.454 | 27% | 0.265 | S | S | . | . | B | Isolated β-bridge | trans | -136.1 | 133.4 | 170.5 | -60.6 | 0 | 0 | 0 | 0 | 108.3 | W344 K368 | W344-T373 PolarHBondContact NE1-O 2.89Å; K368-T373 HydrophobicContact CD-CG2 4.29Å; K368-T373 WeakPolarHBondContact CE-OG1 3.48Å; K368-T373 HydrophobicContact CG-CG2 4.45Å |
| 374 | I | 95.9 | Very high | 96 | Very high | 7 Ų | 7 | 48.9 Ų | 48.9 | 4% | 0.036 | 26% | 0.26 | C | S | . | . | trans | -73.8 | 127 | 172 | -59.1 | -177.9 | 0 | 0 | 0 | 108.6 | I334 W344 I346 L364 F367 F379 L395 V413 | I334-I374 HydrophobicContact CD1-CD1 3.87Å; I334-I374 HydrophobicContact CD1-CG1 3.51Å; W344-I374 HydrophobicContact CB-CG1 4.47Å; W344-I374 HydrophobicContact CD2-CB 4.32Å; W344-I374 HydrophobicContact CD2-CG1 3.91Å; W344-I374 HydrophobicContact CD2-CG2 4.21Å; W344-I374 HydrophobicContact CE3-CB 4.5Å; W344-I374 HydrophobicContact CE3-CG1 4.38Å; W344-I374 HydrophobicContact CE3-CG2 3.89Å; W344-I374 HydrophobicContact CG-CG1 3.92Å; W344-I374 HydrophobicContact CH2-CG2 4.27Å; W344-I374 HydrophobicContact CZ3-CG2 3.94Å; I346-I374 HydrophobicContact CG2-CD1 4.18Å; L364-I374 HydrophobicContact CB-CD1 4.15Å; L364-I374 HydrophobicContact CD2-CD1 3.99Å; F367-I374 HydrophobicContact CB-CD1 3.95Å; I374-F379 HydrophobicContact CG2-CD1 4.27Å; I374-F379 HydrophobicContact CG2-CE1 3.54Å; I374-F379 HydrophobicContact CG2-CE2 4.25Å; I374-F379 HydrophobicContact CG2-CZ 3.52Å; I374-L395 HydrophobicContact CB-CD1 4.15Å; I374-L395 HydrophobicContact CG2-CD1 3.93Å; I374-V413 HydrophobicContact CD1-CG1 4.49Å | ||
| 375 | S | 91.6 | Very high | 96 | Very high | 77 Ų | 77 | 50 Ų | 50 | 54% | 0.538 | 27% | 0.265 | S | S | . | . | trans | -121.5 | 146.5 | 179.7 | 60.6 | 0 | 0 | 0 | 0 | 111.7 | W344 F379 | W344-S375 VanDerWaalsContact CH2-N 3.35Å; W344-S375 VanDerWaalsContact CH2-O 3.25Å; W344-S375 WeakPolarHBondContact CH2-O 3.46Å; S375-F379 VanDerWaalsContact O-CE1 3.26Å; S375-F379 WeakPolarHBondContact O-CE1 3.25Å; S375-F379 VanDerWaalsContact O-CZ 3.29Å; S375-F379 WeakPolarHBondContact O-CZ 3.31Å | ||
| 376 | G | 91.6 | Very high | 96 | Very high | 38 Ų | 38 | 49.8 Ų | 49.8 | 39% | 0.392 | 27% | 0.267 | S | S | . | . | S | Bend | trans | 114.3 | 170.4 | -172.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | F379 | G376-F379 VanDerWaalsContact C-CZ 3.41Å; G376-F379 WeakPolarHBondContact O-CE2 3.36Å; G376-F379 VanDerWaalsContact O-CZ 3.25Å; G376-F379 WeakPolarHBondContact O-CZ 3.37Å |
| 377 | D | 91.5 | Very high | 95.9 | Very high | 135 Ų | 135 | 49.1 Ų | 49.1 | 72% | 0.722 | 27% | 0.269 | S | S | * | . | S | Bend | trans | -102.6 | -36.1 | -171.3 | -64.1 | -35.1 | 0 | 0 | 0 | 113.4 | G394 L395 | D377-G394 VanDerWaalsContact O-CA 3.25Å; D377-G394 WeakPolarHBondContact O-CA 3.49Å; D377-L395 PolarHBondContact O-N 2.91Å; D377-L395 VanDerWaalsContact O-N 3.16Å |
| 378 | K | 96.3 | Very high | 95.9 | Very high | 109 Ų | 109 | 54 Ų | 54 | 47% | 0.474 | 30% | 0.296 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.3 | 138.4 | -175.5 | -167.6 | 178.3 | 179.8 | 178.2 | 0 | 110.7 | F416 | K378-F416 HydrophobicContact CB-CB 4.49Å; K378-F416 HydrophobicContact CB-CD2 4.1Å; K378-F416 HydrophobicContact CB-CG 4.42Å; K378-F416 HydrophobicContact CD-CD2 4.18Å; K378-F416 HydrophobicContact CD-CE2 4.21Å; K378-F416 HydrophobicContact CD-CG 4.35Å; K378-F416 HydrophobicContact CD-CZ 4.44Å; K378-F416 HydrophobicContact CG-CD2 3.72Å; K378-F416 HydrophobicContact CG-CE2 3.9Å; K378-F416 HydrophobicContact CG-CG 4.26Å; K378-F416 WeakPolarHBondContact O-CD2 3.17Å; K378-F416 PolarHBondContact O-N 3.41Å |
| 379 | F | 97 | Very high | 96 | Very high | 0 Ų | 0 | 52.8 Ų | 52.8 | 0% | 0 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.6 | 144.9 | -173.7 | -53.4 | -92.6 | 0 | 0 | 0 | 111.3 | W344 L364 I374 S375 G376 D392 V393 L395 V413 N414 P415 F416 | W344-F379 HydrophobicContact CE3-CE1 4.49Å; W344-F379 HydrophobicContact CZ3-CD1 4.41Å; W344-F379 AromaticContact CZ3-CE1 3.81Å; W344-F379 HydrophobicContact CZ3-CE1 3.81Å; L364-F379 HydrophobicContact CD1-CB 3.7Å; L364-F379 HydrophobicContact CD1-CD1 4.33Å; L364-F379 HydrophobicContact CD1-CD2 3.37Å; L364-F379 HydrophobicContact CD1-CE2 4.07Å; L364-F379 HydrophobicContact CD1-CG 3.53Å; I374-F379 HydrophobicContact CG2-CD1 4.27Å; I374-F379 HydrophobicContact CG2-CE1 3.54Å; I374-F379 HydrophobicContact CG2-CE2 4.25Å; I374-F379 HydrophobicContact CG2-CZ 3.52Å; S375-F379 VanDerWaalsContact O-CE1 3.26Å; S375-F379 WeakPolarHBondContact O-CE1 3.25Å; S375-F379 VanDerWaalsContact O-CZ 3.29Å; S375-F379 WeakPolarHBondContact O-CZ 3.31Å; G376-F379 VanDerWaalsContact C-CZ 3.41Å; G376-F379 WeakPolarHBondContact O-CE2 3.36Å; G376-F379 VanDerWaalsContact O-CZ 3.25Å; G376-F379 WeakPolarHBondContact O-CZ 3.37Å; F379-D392 CarbonylContact O-C 3.57Å; F379-D392 VanDerWaalsContact O-CA 3.32Å; F379-D392 WeakPolarHBondContact O-CA 3.39Å; F379-V393 HydrophobicContact CB-CG2 4.46Å; F379-V393 PolarHBondContact N-O 3.13Å; F379-V393 PolarHBondContact O-N 2.71Å; F379-L395 HydrophobicContact CE2-CB 4Å; F379-L395 HydrophobicContact CE2-CD1 4.1Å; F379-L395 HydrophobicContact CZ-CD1 4.32Å; F379-V413 HydrophobicContact CB-CG1 3.92Å; F379-V413 HydrophobicContact CD1-CG1 3.63Å; F379-V413 HydrophobicContact CE1-CG1 4.44Å; F379-V413 HydrophobicContact CG-CG1 3.94Å; F379-N414 CarbonylContact C-O 3.54Å; F379-N414 VanDerWaalsContact CA-O 3.25Å; F379-N414 WeakPolarHBondContact CA-O 3.31Å; F379-P415 HydrophobicContact CD1-CB 3.99Å; F379-P415 HydrophobicContact CE1-CB 3.95Å; F379-F416 VanDerWaalsContact C-CE2 3.43Å |
| 380 | E | 97.3 | Very high | 96 | Very high | 57 Ų | 57 | 55.2 Ų | 55.2 | 27% | 0.266 | 30% | 0.299 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.9 | 126.3 | 164.5 | 179.2 | 177.5 | 82.9 | 0 | 0 | 108.3 | V382 K389 N414 F416 | E380-V382 HydrophobicContact CG-CG2 4.06Å; E380-K389 HydrophobicContact CG-CD 4.17Å; E380-K389 HydrophobicContact CG-CG 4.02Å; E380-K389 WeakPolarHBondContact OE2-CD 3.5Å; E380-K389 WeakPolarHBondContact OE2-CE 3.42Å; E380-K389 IonicContact OE2-NZ 3.71Å; E380-K389 PolarHBondContact OE2-NZ 3.1Å; E380-N414 HydrophobicContact CB-CB 4.34Å; E380-N414 PolarHBondContact N-O 3.27Å; E380-N414 PolarHBondContact O-N 2.93Å; E380-F416 HydrophobicContact CB-CE2 3.95Å; E380-F416 HydrophobicContact CB-CZ 4.42Å |
| 381 | L | 97.9 | Very high | 96.2 | Very high | 0 Ų | 0 | 52.4 Ų | 52.4 | 0% | 0 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.1 | 120.8 | 171.1 | -54.6 | -174.5 | 0 | 0 | 0 | 108.8 | L364 F390 K391 V393 F399 F411 R412 V413 | L364-L381 HydrophobicContact CD1-CD2 4.26Å; L364-L381 HydrophobicContact CD2-CD2 4.04Å; L381-F390 HydrophobicContact CB-CB 4.32Å; L381-F390 HydrophobicContact CB-CD1 4.31Å; L381-F390 HydrophobicContact CD1-CD1 4.26Å; L381-F390 WeakPolarHBondContact O-CB 3.09Å; L381-F390 PolarHBondContact O-N 3.14Å; L381-K391 WeakPolarHBondContact CB-O 3.23Å; L381-K391 PolarHBondContact N-O 2.94Å; L381-K391 PolarHBondContact O-N 3.12Å; L381-V393 HydrophobicContact CD1-CG1 4.2Å; L381-V393 HydrophobicContact CD1-CG2 3.87Å; L381-V393 HydrophobicContact CD2-CG2 4.19Å; L381-V393 HydrophobicContact CG-CG2 3.9Å; L381-F399 HydrophobicContact CD1-CD1 4.44Å; L381-F399 HydrophobicContact CD1-CD2 4.15Å; L381-F399 HydrophobicContact CD1-CE1 4.16Å; L381-F399 HydrophobicContact CD1-CE2 3.83Å; L381-F399 HydrophobicContact CD1-CG 4.44Å; L381-F399 HydrophobicContact CD1-CZ 3.85Å; L381-F411 HydrophobicContact CB-CB 4.37Å; L381-F411 HydrophobicContact CB-CD1 4.33Å; L381-F411 HydrophobicContact CB-CG 4.43Å; L381-R412 WeakPolarHBondContact CA-O 3.44Å; L381-V413 HydrophobicContact CD2-CB 4.28Å; L381-V413 HydrophobicContact CD2-CG1 4.07Å; L381-V413 HydrophobicContact CD2-CG2 3.87Å |
| 382 | V | 98 | Very high | 96.4 | Very high | 17 Ų | 17 | 50.5 Ų | 50.5 | 10% | 0.103 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.4 | 124.2 | 174.7 | -179.2 | 0 | 0 | 0 | 0 | 108.5 | E380 V384 G387 D388 F411 R412 | E380-V382 HydrophobicContact CG-CG2 4.06Å; V382-V384 PolarHBondContact O-N 3.03Å; V382-G387 WeakPolarHBondContact CG1-O 3.03Å; V382-D388 CarbonylContact C-O 3.56Å; V382-D388 WeakPolarHBondContact CA-O 2.99Å; V382-F411 CarbonylContact O-C 3.57Å; V382-F411 VanDerWaalsContact O-CA 3.24Å; V382-F411 WeakPolarHBondContact O-CA 3.34Å; V382-R412 HydrophobicContact CB-CB 4.29Å; V382-R412 PolarHBondContact N-O 3.44Å; V382-R412 PolarHBondContact O-N 2.04Å |
| 383 | D | 98.3 | Very high | 96.5 | Very high | 18 Ų | 18 | 50.4 Ų | 50.4 | 10% | 0.096 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -63.9 | 122.2 | 174.1 | -175.1 | -39.2 | 0 | 0 | 0 | 109.1 | F385 T386 G387 D388 M409 F411 | D383-F385 VanDerWaalsContact C-N 3.31Å; D383-F385 PolarHBondContact O-N 3.19Å; D383-F385 WeakPolarHBondContact OD1-CA 3.27Å; D383-F385 WeakPolarHBondContact OD1-CB 3.24Å; D383-F385 PolarHBondContact OD1-N 2.97Å; D383-T386 PolarHBondContact OD1-N 2.71Å; D383-G387 WeakPolarHBondContact O-CA 3.46Å; D383-G387 PolarHBondContact O-N 3.4Å; D383-D388 PolarHBondContact N-O 2.95Å; D383-M409 WeakPolarHBondContact OD2-CE 3.35Å; D383-F411 HydrophobicContact CB-CD1 4.44Å; D383-F411 HydrophobicContact CB-CE1 4.33Å |
| 384 | V | 98.2 | Very high | 96.7 | Very high | 2 Ų | 2 | 47.7 Ų | 47.7 | 1% | 0.012 | 26% | 0.263 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -70.9 | -28.8 | -175.6 | 176.8 | 0 | 0 | 0 | 0 | 111.8 | N306 H308 L309 I312 V382 M410 R412 | N306-V384 PolarHBondContact ND2-O 3.4Å; N306-V384 VanDerWaalsContact ND2-O 3.16Å; N306-V384 PolarHBondContact OD1-O 3.05Å; H308-V384 HydrophobicContact CB-CG1 4.02Å; H308-V384 WeakPolarHBondContact CB-O 3.13Å; L309-V384 HydrophobicContact CD2-CG1 3.5Å; L309-V384 VanDerWaalsContact CD2-CG1 3.5Å; L309-V384 HydrophobicContact CG-CG1 3.78Å; I312-V384 HydrophobicContact CD1-CB 4.32Å; I312-V384 HydrophobicContact CD1-CG1 3.69Å; I312-V384 HydrophobicContact CD1-CG2 3.57Å; V382-V384 PolarHBondContact O-N 3.03Å; V384-M410 HydrophobicContact CB-CB 3.87Å; V384-M410 HydrophobicContact CG1-CE 4.5Å; V384-M410 HydrophobicContact CG2-CB 3.92Å; V384-M410 PolarHBondContact N-O 2.96Å; V384-R412 HydrophobicContact CG2-CB 4.46Å |
| 385 | F | 98.3 | Very high | 96.7 | Very high | 25 Ų | 25 | 49.1 Ų | 49.1 | 11% | 0.11 | 27% | 0.27 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -79.5 | -32.6 | -177.7 | -62.7 | -72.3 | 0 | 0 | 0 | 112.7 | R274 L303 N306 L309 D383 I408 M410 | R274-F385 HydrophobicContact CB-CD1 4.36Å; R274-F385 HydrophobicContact CB-CE1 3.73Å; R274-F385 HydrophobicContact CB-CZ 3.88Å; R274-F385 HydrophobicContact CG-CD1 3.91Å; R274-F385 HydrophobicContact CG-CE1 3.78Å; R274-F385 HydrophobicContact CG-CZ 4.29Å; L303-F385 HydrophobicContact CD2-CD1 3.89Å; L303-F385 HydrophobicContact CD2-CE1 4.2Å; N306-F385 PolarHBondContact ND2-O 3.43Å; L309-F385 HydrophobicContact CD1-CD1 4.07Å; L309-F385 HydrophobicContact CD1-CE1 4.01Å; L309-F385 HydrophobicContact CD2-CE1 4.12Å; D383-F385 VanDerWaalsContact C-N 3.31Å; D383-F385 PolarHBondContact O-N 3.19Å; D383-F385 WeakPolarHBondContact OD1-CA 3.27Å; D383-F385 WeakPolarHBondContact OD1-CB 3.24Å; D383-F385 PolarHBondContact OD1-N 2.97Å; F385-I408 HydrophobicContact CE2-CG2 3.82Å; F385-I408 HydrophobicContact CZ-CG2 3.52Å; F385-M410 HydrophobicContact CD2-CB 4.46Å; F385-M410 HydrophobicContact CE1-SD 4.49Å; F385-M410 HydrophobicContact CE2-CB 3.79Å; F385-M410 HydrophobicContact CE2-CG 3.8Å; F385-M410 HydrophobicContact CE2-SD 4.09Å; F385-M410 HydrophobicContact CZ-CB 4.32Å; F385-M410 HydrophobicContact CZ-CG 3.97Å; F385-M410 HydrophobicContact CZ-SD 3.64Å |
| 386 | T | 97.2 | Very high | 97 | Very high | 77 Ų | 77 | 53 Ų | 53 | 47% | 0.472 | 28% | 0.278 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -101 | -27.7 | 178.5 | 70 | 0 | 0 | 0 | 0 | 113.2 | D383 D388 | D383-T386 PolarHBondContact OD1-N 2.71Å; T386-D388 VanDerWaalsContact CB-OD2 3.3Å; T386-D388 WeakPolarHBondContact CB-OD2 3.31Å; T386-D388 WeakPolarHBondContact OG1-CB 3.45Å; T386-D388 PolarHBondContact OG1-N 2.78Å; T386-D388 VanDerWaalsContact OG1-N 3.1Å; T386-D388 PolarHBondContact OG1-OD2 2.74Å; T386-D388 VanDerWaalsContact OG1-OD2 3.08Å |
| 387 | G | 96.5 | Very high | 97.3 | Very high | 21 Ų | 21 | 55.2 Ų | 55.2 | 22% | 0.216 | 28% | 0.278 | C | S | . | . | trans | 80.7 | 0.7 | -169.6 | 0 | 0 | 0 | 0 | 0 | 113.6 | H308 V382 D383 | H308-G387 VanDerWaalsContact NE2-CA 3.34Å; H308-G387 WeakPolarHBondContact NE2-CA 3.47Å; V382-G387 WeakPolarHBondContact CG1-O 3.03Å; D383-G387 WeakPolarHBondContact O-CA 3.46Å; D383-G387 PolarHBondContact O-N 3.4Å | ||
| 388 | D | 97.8 | Very high | 97.6 | Very high | 105 Ų | 105 | 53.4 Ų | 53.4 | 56% | 0.561 | 27% | 0.268 | S | S | * | . | trans | -82.5 | 148.4 | -178 | -60.6 | -44.3 | 0 | 0 | 0 | 111.3 | V382 D383 T386 F390 | V382-D388 CarbonylContact C-O 3.56Å; V382-D388 WeakPolarHBondContact CA-O 2.99Å; D383-D388 PolarHBondContact N-O 2.95Å; T386-D388 VanDerWaalsContact CB-OD2 3.3Å; T386-D388 WeakPolarHBondContact CB-OD2 3.31Å; T386-D388 WeakPolarHBondContact OG1-CB 3.45Å; T386-D388 PolarHBondContact OG1-N 2.78Å; T386-D388 VanDerWaalsContact OG1-N 3.1Å; T386-D388 PolarHBondContact OG1-OD2 2.74Å; T386-D388 VanDerWaalsContact OG1-OD2 3.08Å; D388-F390 PolarHBondContact O-N 2.8Å | ||
| 389 | K | 97.9 | Very high | 97.7 | Very high | 103 Ų | 103 | 48.5 Ų | 48.5 | 45% | 0.448 | 25% | 0.247 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -62.9 | 119.9 | 167.8 | -179.7 | 176 | -175.5 | 141 | 0 | 109.5 | E380 D392 | E380-K389 HydrophobicContact CG-CD 4.17Å; E380-K389 HydrophobicContact CG-CG 4.02Å; E380-K389 WeakPolarHBondContact OE2-CD 3.5Å; E380-K389 WeakPolarHBondContact OE2-CE 3.42Å; E380-K389 IonicContact OE2-NZ 3.71Å; E380-K389 PolarHBondContact OE2-NZ 3.1Å; K389-D392 WeakPolarHBondContact CE-OD1 3.38Å; K389-D392 WeakPolarHBondContact CE-OD2 3.45Å; K389-D392 IonicContact NZ-OD1 2.68Å; K389-D392 PolarHBondContact NZ-OD1 3.04Å; K389-D392 IonicContact NZ-OD2 3.58Å; K389-D392 PolarHBondContact NZ-OD2 2.86Å |
| 390 | F | 97.7 | Very high | 97.8 | Very high | 68 Ų | 68 | 51.6 Ų | 51.6 | 30% | 0.298 | 27% | 0.266 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.7 | -56.4 | 175.4 | 178 | -107.5 | 0 | 0 | 0 | 111.3 | L381 D388 F399 F411 | L381-F390 HydrophobicContact CB-CB 4.32Å; L381-F390 HydrophobicContact CB-CD1 4.31Å; L381-F390 HydrophobicContact CD1-CD1 4.26Å; L381-F390 WeakPolarHBondContact O-CB 3.09Å; L381-F390 PolarHBondContact O-N 3.14Å; D388-F390 PolarHBondContact O-N 2.8Å; F390-F399 HydrophobicContact CE1-CD2 4.3Å; F390-F411 HydrophobicContact CB-CD1 3.99Å; F390-F411 HydrophobicContact CB-CE1 3.67Å; F390-F411 HydrophobicContact CD1-CD1 4.23Å; F390-F411 AromaticContact CD1-CE1 3.6Å; F390-F411 HydrophobicContact CD1-CE1 3.6Å; F390-F411 AromaticContact CD1-CZ 3.85Å; F390-F411 HydrophobicContact CD1-CZ 3.85Å; F390-F411 AromaticContact CD2-CE1 3.82Å; F390-F411 HydrophobicContact CD2-CE1 3.82Å; F390-F411 HydrophobicContact CD2-CZ 4.21Å; F390-F411 HydrophobicContact CE1-CE1 4.17Å; F390-F411 AromaticContact CE1-CZ 3.94Å; F390-F411 HydrophobicContact CE1-CZ 3.94Å; F390-F411 HydrophobicContact CE2-CE1 4.36Å; F390-F411 HydrophobicContact CE2-CZ 4.29Å; F390-F411 HydrophobicContact CG-CD1 4.14Å; F390-F411 AromaticContact CG-CE1 3.4Å; F390-F411 HydrophobicContact CG-CE1 3.4Å; F390-F411 AromaticContact CG-CZ 3.99Å; F390-F411 HydrophobicContact CG-CZ 3.99Å; F390-F411 HydrophobicContact CZ-CZ 4.16Å |
| 391 | K | 97.3 | Very high | 97.8 | Very high | 75 Ų | 75 | 48.9 Ų | 48.9 | 33% | 0.326 | 25% | 0.253 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -164.6 | 150.4 | -177.3 | -160 | -179.9 | 169.2 | -165.5 | 0 | 111.9 | L381 V393 E397 F399 | L381-K391 WeakPolarHBondContact CB-O 3.23Å; L381-K391 PolarHBondContact N-O 2.94Å; L381-K391 PolarHBondContact O-N 3.12Å; K391-V393 HydrophobicContact CB-CG1 4.21Å; K391-V393 HydrophobicContact CD-CG1 3.76Å; K391-V393 HydrophobicContact CG-CG1 3.96Å; K391-E397 IonicContact NZ-OE1 2.79Å; K391-E397 PolarHBondContact NZ-OE1 3.18Å; K391-F399 HydrophobicContact CD-CB 4.16Å |
| 392 | D | 97.9 | Very high | 97.8 | Very high | 49 Ų | 49 | 52 Ų | 52 | 26% | 0.262 | 27% | 0.273 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.1 | 132.8 | 160.1 | -70 | -24 | 0 | 0 | 0 | 109.9 | F379 K389 F416 | F379-D392 CarbonylContact O-C 3.57Å; F379-D392 VanDerWaalsContact O-CA 3.32Å; F379-D392 WeakPolarHBondContact O-CA 3.39Å; K389-D392 WeakPolarHBondContact CE-OD1 3.38Å; K389-D392 WeakPolarHBondContact CE-OD2 3.45Å; K389-D392 IonicContact NZ-OD1 2.68Å; K389-D392 PolarHBondContact NZ-OD1 3.04Å; K389-D392 IonicContact NZ-OD2 3.58Å; K389-D392 PolarHBondContact NZ-OD2 2.86Å; D392-F416 HydrophobicContact CB-CE2 4.46Å; D392-F416 HydrophobicContact CB-CZ 4.48Å; D392-F416 WeakPolarHBondContact OD1-CZ 3.08Å |
| 393 | V | 97.9 | Very high | 97.8 | Very high | 1 Ų | 1 | 51.2 Ų | 51.2 | 1% | 0.006 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.4 | 150.1 | -177 | -61.4 | 0 | 0 | 0 | 0 | 112.2 | L364 F379 L381 K391 E397 F399 | L364-V393 HydrophobicContact CD1-CG2 3.61Å; L364-V393 HydrophobicContact CG-CG2 4.06Å; F379-V393 HydrophobicContact CB-CG2 4.46Å; F379-V393 PolarHBondContact N-O 3.13Å; F379-V393 PolarHBondContact O-N 2.71Å; L381-V393 HydrophobicContact CD1-CG1 4.2Å; L381-V393 HydrophobicContact CD1-CG2 3.87Å; L381-V393 HydrophobicContact CD2-CG2 4.19Å; L381-V393 HydrophobicContact CG-CG2 3.9Å; K391-V393 HydrophobicContact CB-CG1 4.21Å; K391-V393 HydrophobicContact CD-CG1 3.76Å; K391-V393 HydrophobicContact CG-CG1 3.96Å; V393-E397 WeakPolarHBondContact CA-OE2 3.06Å; V393-E397 HydrophobicContact CB-CB 4.49Å; V393-F399 HydrophobicContact CB-CD1 4.36Å; V393-F399 HydrophobicContact CG1-CB 4.15Å; V393-F399 HydrophobicContact CG1-CD1 3.89Å; V393-F399 HydrophobicContact CG1-CG 4.2Å; V393-F399 HydrophobicContact CG2-CD1 4.41Å; V393-F399 HydrophobicContact CG2-CE1 4.4Å |
| 394 | G | 97.6 | Very high | 97.7 | Very high | 18 Ų | 18 | 53.6 Ų | 53.6 | 19% | 0.186 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.3 | 160.8 | 162.5 | 0 | 0 | 0 | 0 | 0 | 113 | D377 K396 E397 | D377-G394 VanDerWaalsContact O-CA 3.25Å; D377-G394 WeakPolarHBondContact O-CA 3.49Å; G394-K396 VanDerWaalsContact C-N 3.25Å; G394-K396 PolarHBondContact O-N 3.08Å; G394-E397 PolarHBondContact N-OE2 3.07Å; G394-E397 PolarHBondContact O-N 2.96Å; G394-E397 VanDerWaalsContact O-N 3.09Å |
| 395 | L | 97 | Very high | 97.7 | Very high | 36 Ų | 36 | 54.7 Ų | 54.7 | 19% | 0.188 | 29% | 0.288 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -53 | -41.2 | 179.7 | -175.5 | 60.2 | 0 | 0 | 0 | 113.2 | L364 N365 I374 D377 F379 | L364-L395 CarbonylContact C-O 2.89Å; L364-L395 HydrophobicContact CB-CD1 3.95Å; L364-L395 PolarHBondContact N-O 3.47Å; N365-L395 HydrophobicContact CB-CD1 4.42Å; N365-L395 HydrophobicContact CB-CG 4.12Å; N365-L395 WeakPolarHBondContact CB-O 3.2Å; N365-L395 PolarHBondContact N-O 2.94Å; I374-L395 HydrophobicContact CB-CD1 4.15Å; I374-L395 HydrophobicContact CG2-CD1 3.93Å; D377-L395 PolarHBondContact O-N 2.91Å; D377-L395 VanDerWaalsContact O-N 3.16Å; F379-L395 HydrophobicContact CE2-CB 4Å; F379-L395 HydrophobicContact CE2-CD1 4.1Å; F379-L395 HydrophobicContact CZ-CD1 4.32Å |
| 396 | K | 97.5 | Very high | 97.7 | Very high | 159 Ų | 159 | 53.9 Ų | 53.9 | 69% | 0.691 | 29% | 0.286 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -104 | 4 | -179.7 | -62.4 | 179.5 | -178.3 | 175.5 | 0 | 113.3 | N365 G394 | N365-K396 HydrophobicContact CB-CG 4.05Å; G394-K396 VanDerWaalsContact C-N 3.25Å; G394-K396 PolarHBondContact O-N 3.08Å |
| 397 | E | 98.1 | Very high | 97.7 | Very high | 84 Ų | 84 | 50.2 Ų | 50.2 | 39% | 0.393 | 26% | 0.264 | S | S | . | . | trans | -74.5 | 128 | 179.3 | -172 | -168.1 | 148.6 | 0 | 0 | 109.8 | N363 K391 V393 G394 | N363-E397 WeakPolarHBondContact CB-O 3.25Å; K391-E397 IonicContact NZ-OE1 2.79Å; K391-E397 PolarHBondContact NZ-OE1 3.18Å; V393-E397 WeakPolarHBondContact CA-OE2 3.06Å; V393-E397 HydrophobicContact CB-CB 4.49Å; G394-E397 PolarHBondContact N-OE2 3.07Å; G394-E397 PolarHBondContact O-N 2.96Å; G394-E397 VanDerWaalsContact O-N 3.09Å | ||
| 398 | N | 98.2 | Very high | 97.9 | Very high | 98 Ų | 98 | 49.4 Ų | 49.4 | 52% | 0.524 | 25% | 0.254 | S | S | . | . | trans | -73.3 | 140.2 | 176.4 | -71.6 | -26.9 | 0 | 0 | 0 | 111.3 | T361 T362 N363 | T361-N398 HydrophobicContact CG2-CB 4.06Å; T362-N398 CarbonylContact O-C 3.42Å; T362-N398 VanDerWaalsContact O-CA 3.29Å; T362-N398 WeakPolarHBondContact O-CA 3.05Å; N363-N398 PolarHBondContact ND2-OD1 3.49Å | ||
| 399 | F | 98.2 | Very high | 97.9 | Very high | 5 Ų | 5 | 45.9 Ų | 45.9 | 2% | 0.022 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.7 | 154.9 | 170.7 | 58.5 | -87.1 | 0 | 0 | 0 | 109.9 | I346 T361 T362 L364 L381 F390 K391 V393 I401 | I346-F399 HydrophobicContact CD1-CZ 4.45Å; T361-F399 WeakPolarHBondContact CA-O 3.5Å; T362-F399 HydrophobicContact CG2-CE2 4.01Å; T362-F399 HydrophobicContact CG2-CZ 3.95Å; T362-F399 PolarHBondContact N-O 2.99Å; T362-F399 PolarHBondContact O-N 3.14Å; L364-F399 HydrophobicContact CD2-CE1 4.21Å; L364-F399 HydrophobicContact CD2-CZ 4.12Å; L364-F399 HydrophobicContact CG-CE1 4.1Å; L381-F399 HydrophobicContact CD1-CD1 4.44Å; L381-F399 HydrophobicContact CD1-CD2 4.15Å; L381-F399 HydrophobicContact CD1-CE1 4.16Å; L381-F399 HydrophobicContact CD1-CE2 3.83Å; L381-F399 HydrophobicContact CD1-CG 4.44Å; L381-F399 HydrophobicContact CD1-CZ 3.85Å; F390-F399 HydrophobicContact CE1-CD2 4.3Å; K391-F399 HydrophobicContact CD-CB 4.16Å; V393-F399 HydrophobicContact CB-CD1 4.36Å; V393-F399 HydrophobicContact CG1-CB 4.15Å; V393-F399 HydrophobicContact CG1-CD1 3.89Å; V393-F399 HydrophobicContact CG1-CG 4.2Å; V393-F399 HydrophobicContact CG2-CD1 4.41Å; V393-F399 HydrophobicContact CG2-CE1 4.4Å; F399-I401 HydrophobicContact CD2-CD1 4.31Å; F399-I401 HydrophobicContact CD2-CG1 3.88Å; F399-I401 HydrophobicContact CE2-CD1 3.77Å; F399-I401 HydrophobicContact CE2-CG1 3.83Å |
| 400 | T | 98.3 | Very high | 97.9 | Very high | 65 Ų | 65 | 41 Ų | 41 | 40% | 0.399 | 21% | 0.213 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.8 | 129.9 | -176.1 | -58.3 | 0 | 0 | 0 | 0 | 109.6 | N359 F360 T361 | N359-T400 HydrophobicContact CB-CG2 3.68Å; F360-T400 WeakPolarHBondContact O-CA 3.43Å; T361-T400 PolarHBondContact OG1-OG1 3.21Å |
| 401 | I | 97.8 | Very high | 98 | Very high | 0 Ų | 0 | 37.7 Ų | 37.7 | 0% | 0 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.9 | 118.7 | -179 | -53.6 | 161.3 | 0 | 0 | 0 | 108.3 | C348 F360 T362 F399 I403 M409 F411 | C348-I401 HydrophobicContact CB-CD1 4.39Å; F360-I401 HydrophobicContact CD1-CD1 4.29Å; F360-I401 PolarHBondContact N-O 3.23Å; F360-I401 PolarHBondContact O-N 3.31Å; T362-I401 HydrophobicContact CG2-CD1 4.07Å; F399-I401 HydrophobicContact CD2-CD1 4.31Å; F399-I401 HydrophobicContact CD2-CG1 3.88Å; F399-I401 HydrophobicContact CE2-CD1 3.77Å; F399-I401 HydrophobicContact CE2-CG1 3.83Å; I401-I403 HydrophobicContact CB-CG1 4.32Å; I401-I403 HydrophobicContact CG2-CD1 4.15Å; I401-I403 HydrophobicContact CG2-CG1 3.71Å; I401-M409 HydrophobicContact CG2-CB 3.47Å; I401-M409 VanDerWaalsContact CG2-CB 3.47Å; I401-M409 HydrophobicContact CG2-CG 3.47Å; I401-M409 VanDerWaalsContact CG2-CG 3.47Å; I401-F411 HydrophobicContact CD1-CE2 3.85Å; I401-F411 HydrophobicContact CG1-CE2 3.87Å; I401-F411 HydrophobicContact CG1-CZ 4.31Å; I401-F411 HydrophobicContact CG2-CE2 4.01Å; I401-F411 HydrophobicContact CG2-CZ 4.05Å |
| 402 | P | 97.3 | Very high | 98 | Very high | 66 Ų | 66 | 35.8 Ų | 35.8 | 43% | 0.429 | 19% | 0.19 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -76.4 | 124.1 | 169.6 | 30.4 | -31.4 | 0 | 0 | 0 | 109.8 | I358 M409 | I358-P402 WeakPolarHBondContact O-CA 3.42Å; P402-M409 WeakPolarHBondContact O-CG 3.43Å |
| 403 | I | 98.2 | Very high | 98 | Very high | 1 Ų | 1 | 33.5 Ų | 33.5 | 1% | 0.005 | 18% | 0.177 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.9 | 124.4 | -178.9 | -43.5 | 173.9 | 0 | 0 | 0 | 109.5 | V330 C348 P357 I358 F360 I401 M409 | V330-I403 HydrophobicContact CG1-CD1 4.02Å; V330-I403 HydrophobicContact CG2-CD1 4.37Å; C348-I403 HydrophobicContact CB-CD1 3.52Å; P357-I403 CarbonylContact C-O 3.57Å; P357-I403 VanDerWaalsContact CA-O 3.23Å; P357-I403 WeakPolarHBondContact CA-O 3.26Å; I358-I403 HydrophobicContact CG2-CB 4.04Å; I358-I403 PolarHBondContact N-O 3.24Å; I358-I403 PolarHBondContact O-N 2.97Å; F360-I403 HydrophobicContact CB-CD1 4.02Å; I401-I403 HydrophobicContact CB-CG1 4.32Å; I401-I403 HydrophobicContact CG2-CD1 4.15Å; I401-I403 HydrophobicContact CG2-CG1 3.71Å; I403-M409 HydrophobicContact CG1-CG 3.9Å; I403-M409 HydrophobicContact CG1-CB 4.41Å; I403-M409 HydrophobicContact CG2-CG 4.47Å |
| 404 | N | 97.9 | Very high | 97.8 | Very high | 67 Ų | 67 | 34.5 Ų | 34.5 | 36% | 0.358 | 18% | 0.183 | S | C | . | . | trans | -69.9 | 155.2 | 175.1 | -70.9 | -12.4 | 0 | 0 | 0 | 111.8 | D271 P357 S406 G407 | D271-N404 WeakPolarHBondContact OD2-CB 3.2Å; D271-N404 PolarHBondContact OD2-ND2 3.19Å; P357-N404 WeakPolarHBondContact CG-OD1 3.34Å; N404-S406 PolarHBondContact O-N 3.23Å; N404-G407 WeakPolarHBondContact O-CA 3.23Å; N404-G407 PolarHBondContact O-N 3.2Å | ||
| 405 | P | 97.8 | Very high | 97.6 | Very high | 25 Ų | 25 | 35.7 Ų | 35.7 | 16% | 0.162 | 19% | 0.187 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -53.4 | 135.3 | 170.6 | -24.2 | 33.5 | 0 | 0 | 0 | 111.8 | Y350 R352 G355 G407 | Y350-P405 HydrophobicContact CE1-CG 4.36Å; R352-P405 CarbonylContact O-C 3Å; R352-P405 VanDerWaalsContact O-CA 3.25Å; R352-P405 WeakPolarHBondContact O-CA 3.5Å; R352-P405 WeakPolarHBondContact O-CB 3.12Å; G355-P405 WeakPolarHBondContact O-CG 3.15Å; P405-G407 PolarHBondContact O-N 3.17Å; P405-G407 VanDerWaalsContact O-N 3.11Å |
| 406 | S | 97.6 | Very high | 97.3 | Very high | 9 Ų | 9 | 38.3 Ų | 38.3 | 6% | 0.063 | 20% | 0.197 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 53.4 | 23.9 | -172.6 | 65.5 | 0 | 0 | 0 | 0 | 114.2 | D271 Q272 V275 Y350 R352 N404 | D271-S406 CarbonylContact C-O 3.49Å; Q272-S406 PolarHBondContact NE2-OG 3.03Å; V275-S406 VanDerWaalsContact CG2-O 3.29Å; V275-S406 WeakPolarHBondContact CG2-O 3.18Å; Y350-S406 VanDerWaalsContact O-CA 3.24Å; Y350-S406 WeakPolarHBondContact O-CA 3.05Å; Y350-S406 PolarHBondContact O-N 2.6Å; R352-S406 PolarHBondContact O-N 2.03Å; N404-S406 PolarHBondContact O-N 3.23Å |
| 407 | G | 98.3 | Very high | 96 | Very high | 0 Ų | 0 | 39.3 Ų | 39.3 | 0% | 0 | 20% | 0.202 | C | C | . | . | trans | -105.6 | 171.7 | 179.8 | 0 | 0 | 0 | 0 | 0 | 112.8 | I349 Y350 N404 P405 | I349-G407 WeakPolarHBondContact CA-O 3.1Å; Y350-G407 PolarHBondContact N-O 3.02Å; N404-G407 WeakPolarHBondContact O-CA 3.23Å; N404-G407 PolarHBondContact O-N 3.2Å; P405-G407 PolarHBondContact O-N 3.17Å; P405-G407 VanDerWaalsContact O-N 3.11Å | ||
| 408 | I | 98.7 | Very high | 93.8 | Very high | 4 Ų | 4 | 41.2 Ų | 41.2 | 2% | 0.021 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.7 | 144.9 | 179.4 | -171.9 | 174.8 | 0 | 0 | 0 | 109.3 | R274 V275 M279 A347 C348 I349 F385 M410 | R274-I408 VanDerWaalsContact C-CG2 3.47Å; R274-I408 HydrophobicContact CB-CG2 3.64Å; V275-I408 HydrophobicContact CB-CB 4.48Å; V275-I408 HydrophobicContact CB-CG2 4.34Å; V275-I408 HydrophobicContact CG2-CB 3.79Å; V275-I408 HydrophobicContact CG2-CG2 3.89Å; M279-I408 HydrophobicContact CG-CD1 4.07Å; M279-I408 HydrophobicContact SD-CD1 3.87Å; A347-I408 HydrophobicContact CB-CD1 4.06Å; A347-I408 HydrophobicContact CB-CG1 4.39Å; C348-I408 CarbonylContact O-C 3.42Å; C348-I408 VanDerWaalsContact O-CA 3.3Å; C348-I408 WeakPolarHBondContact O-CA 3.46Å; I349-I408 HydrophobicContact CG1-CB 4.41Å; I349-I408 HydrophobicContact CG1-CD1 3.91Å; I349-I408 HydrophobicContact CG1-CG1 3.93Å; F385-I408 HydrophobicContact CE2-CG2 3.82Å; F385-I408 HydrophobicContact CZ-CG2 3.52Å; I408-M410 HydrophobicContact CD1-CG 3.63Å; I408-M410 HydrophobicContact CD1-SD 3.73Å; I408-M410 HydrophobicContact CG1-CG 3.82Å; I408-M410 HydrophobicContact CG1-SD 4.49Å |
| 409 | M | 98.6 | Very high | 90.8 | Very high | 30 Ų | 30 | 42.7 Ų | 42.7 | 15% | 0.148 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.9 | 135.1 | 160.9 | -67.7 | -60 | -63.6 | 0 | 0 | 108.7 | A347 C348 D383 I401 P402 I403 F411 | A347-M409 WeakPolarHBondContact CA-O 3.23Å; C348-M409 PolarHBondContact N-O 2.95Å; C348-M409 PolarHBondContact O-N 3.44Å; D383-M409 WeakPolarHBondContact OD2-CE 3.35Å; I401-M409 HydrophobicContact CG2-CB 3.47Å; I401-M409 VanDerWaalsContact CG2-CB 3.47Å; I401-M409 HydrophobicContact CG2-CG 3.47Å; I401-M409 VanDerWaalsContact CG2-CG 3.47Å; P402-M409 WeakPolarHBondContact O-CG 3.43Å; I403-M409 HydrophobicContact CG1-CG 3.9Å; I403-M409 HydrophobicContact CG1-CB 4.41Å; I403-M409 HydrophobicContact CG2-CG 4.47Å; M409-F411 HydrophobicContact CB-CE2 4.13Å; M409-F411 HydrophobicContact CB-CZ 4.19Å; M409-F411 HydrophobicContact CE-CE1 4.29Å; M409-F411 HydrophobicContact CE-CZ 4.03Å |
| 410 | M | 98.6 | Very high | 87.9 | Confident | 0 Ų | 0 | 51.5 Ų | 51.5 | 0% | 0 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.7 | 134.9 | -178.7 | -69.7 | -179.5 | 62.2 | 0 | 0 | 109.7 | G278 M282 L309 I312 I346 A347 V384 F385 I408 | G278-M410 WeakPolarHBondContact CA-SD 3.12Å; G278-M410 WeakPolarHBondContact O-CE 3.47Å; M282-M410 HydrophobicContact CG-CE 3.57Å; M282-M410 HydrophobicContact SD-CE 3.82Å; L309-M410 HydrophobicContact CD2-CE 4.16Å; L309-M410 HydrophobicContact CD2-SD 4.17Å; I312-M410 HydrophobicContact CD1-CE 4.31Å; I346-M410 VanDerWaalsContact O-CA 3.31Å; I346-M410 WeakPolarHBondContact O-CA 3.39Å; A347-M410 HydrophobicContact CB-CG 3.86Å; V384-M410 HydrophobicContact CB-CB 3.87Å; V384-M410 HydrophobicContact CG1-CE 4.5Å; V384-M410 HydrophobicContact CG2-CB 3.92Å; V384-M410 PolarHBondContact N-O 2.96Å; F385-M410 HydrophobicContact CD2-CB 4.46Å; F385-M410 HydrophobicContact CE1-SD 4.49Å; F385-M410 HydrophobicContact CE2-CB 3.79Å; F385-M410 HydrophobicContact CE2-CG 3.8Å; F385-M410 HydrophobicContact CE2-SD 4.09Å; F385-M410 HydrophobicContact CZ-CB 4.32Å; F385-M410 HydrophobicContact CZ-CG 3.97Å; F385-M410 HydrophobicContact CZ-SD 3.64Å; I408-M410 HydrophobicContact CD1-CG 3.63Å; I408-M410 HydrophobicContact CD1-SD 3.73Å; I408-M410 HydrophobicContact CG1-CG 3.82Å; I408-M410 HydrophobicContact CG1-SD 4.49Å |
| 411 | F | 98.5 | Very high | 84.7 | Confident | 0 Ų | 0 | 52.9 Ų | 52.9 | 0% | 0 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.3 | 135.4 | 177.7 | -55.5 | -72.9 | 0 | 0 | 0 | 111 | A345 I346 L381 V382 D383 F390 I401 M409 | A345-F411 VanDerWaalsContact CA-O 3.32Å; A345-F411 WeakPolarHBondContact CA-O 3.43Å; I346-F411 HydrophobicContact CD1-CB 4.23Å; I346-F411 HydrophobicContact CD1-CD2 4.08Å; I346-F411 HydrophobicContact CG1-CB 3.84Å; I346-F411 HydrophobicContact CG1-CD2 4.14Å; I346-F411 PolarHBondContact N-O 3.4Å; I346-F411 PolarHBondContact O-N 3.19Å; L381-F411 HydrophobicContact CB-CB 4.37Å; L381-F411 HydrophobicContact CB-CD1 4.33Å; L381-F411 HydrophobicContact CB-CG 4.43Å; V382-F411 CarbonylContact O-C 3.57Å; V382-F411 VanDerWaalsContact O-CA 3.24Å; V382-F411 WeakPolarHBondContact O-CA 3.34Å; D383-F411 HydrophobicContact CB-CD1 4.44Å; D383-F411 HydrophobicContact CB-CE1 4.33Å; F390-F411 HydrophobicContact CB-CD1 3.99Å; F390-F411 HydrophobicContact CB-CE1 3.67Å; F390-F411 HydrophobicContact CD1-CD1 4.23Å; F390-F411 AromaticContact CD1-CE1 3.6Å; F390-F411 HydrophobicContact CD1-CE1 3.6Å; F390-F411 AromaticContact CD1-CZ 3.85Å; F390-F411 HydrophobicContact CD1-CZ 3.85Å; F390-F411 AromaticContact CD2-CE1 3.82Å; F390-F411 HydrophobicContact CD2-CE1 3.82Å; F390-F411 HydrophobicContact CD2-CZ 4.21Å; F390-F411 HydrophobicContact CE1-CE1 4.17Å; F390-F411 AromaticContact CE1-CZ 3.94Å; F390-F411 HydrophobicContact CE1-CZ 3.94Å; F390-F411 HydrophobicContact CE2-CE1 4.36Å; F390-F411 HydrophobicContact CE2-CZ 4.29Å; F390-F411 HydrophobicContact CG-CD1 4.14Å; F390-F411 AromaticContact CG-CE1 3.4Å; F390-F411 HydrophobicContact CG-CE1 3.4Å; F390-F411 AromaticContact CG-CZ 3.99Å; F390-F411 HydrophobicContact CG-CZ 3.99Å; F390-F411 HydrophobicContact CZ-CZ 4.16Å; I401-F411 HydrophobicContact CD1-CE2 3.85Å; I401-F411 HydrophobicContact CG1-CE2 3.87Å; I401-F411 HydrophobicContact CG1-CZ 4.31Å; I401-F411 HydrophobicContact CG2-CE2 4.01Å; I401-F411 HydrophobicContact CG2-CZ 4.05Å; M409-F411 HydrophobicContact CB-CE2 4.13Å; M409-F411 HydrophobicContact CB-CZ 4.19Å; M409-F411 HydrophobicContact CE-CE1 4.29Å; M409-F411 HydrophobicContact CE-CZ 4.03Å |
| 412 | R | 97.6 | Very high | 81.8 | Confident | 35 Ų | 35 | 59.7 Ų | 59.7 | 13% | 0.132 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.1 | 124.3 | 157.5 | -170.1 | 72.4 | 158.9 | 105 | -7.3 | 107.2 | D339 P341 L381 V382 V384 N414 | D339-R412 PolarHBondContact O-NH2 2.71Å; D339-R412 VanDerWaalsContact O-NH2 3.14Å; P341-R412 VanDerWaalsContact O-CZ 3.25Å; P341-R412 PolarHBondContact O-NH1 2.79Å; P341-R412 PolarHBondContact O-NH2 2.87Å; L381-R412 WeakPolarHBondContact CA-O 3.44Å; V382-R412 HydrophobicContact CB-CB 4.29Å; V382-R412 PolarHBondContact N-O 3.44Å; V382-R412 PolarHBondContact O-N 2.04Å; V384-R412 HydrophobicContact CG2-CB 4.46Å; R412-N414 VanDerWaalsContact CG-OD1 3.24Å; R412-N414 WeakPolarHBondContact CG-OD1 3.28Å |
| 413 | V | 97.8 | Very high | 78.8 | Confident | 0 Ų | 0 | 68.2 Ų | 68.2 | 0% | 0 | 35% | 0.348 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.8 | 103.3 | 178 | -173.6 | 0 | 0 | 0 | 0 | 108.1 | W344 I346 L364 I374 F379 L381 | W344-V413 HydrophobicContact CB-CB 4.18Å; W344-V413 HydrophobicContact CB-CG2 4.48Å; W344-V413 HydrophobicContact CE3-CB 4.45Å; W344-V413 HydrophobicContact CE3-CG1 4.25Å; W344-V413 PolarHBondContact N-O 2.78Å; W344-V413 PolarHBondContact O-N 3.3Å; I346-V413 HydrophobicContact CB-CG2 4.46Å; I346-V413 HydrophobicContact CD1-CG2 3.95Å; I346-V413 HydrophobicContact CG1-CG2 3.83Å; I346-V413 HydrophobicContact CG2-CG2 3.97Å; L364-V413 HydrophobicContact CD1-CG1 3.86Å; L364-V413 HydrophobicContact CD2-CG1 4.22Å; L364-V413 HydrophobicContact CD2-CG2 4.09Å; I374-V413 HydrophobicContact CD1-CG1 4.49Å; F379-V413 HydrophobicContact CB-CG1 3.92Å; F379-V413 HydrophobicContact CD1-CG1 3.63Å; F379-V413 HydrophobicContact CE1-CG1 4.44Å; F379-V413 HydrophobicContact CG-CG1 3.94Å; L381-V413 HydrophobicContact CD2-CB 4.28Å; L381-V413 HydrophobicContact CD2-CG1 4.07Å; L381-V413 HydrophobicContact CD2-CG2 3.87Å |
| 414 | N | 95 | Very high | 77.9 | Confident | 23 Ų | 23 | 71.6 Ų | 71.6 | 12% | 0.123 | 37% | 0.365 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.7 | 113 | -178.8 | -63.1 | -32.8 | 0 | 0 | 0 | 109.1 | P341 F379 E380 R412 F416 | P341-N414 HydrophobicContact CG-CB 4.45Å; P341-N414 WeakPolarHBondContact CG-OD1 3.03Å; F379-N414 CarbonylContact C-O 3.54Å; F379-N414 VanDerWaalsContact CA-O 3.25Å; F379-N414 WeakPolarHBondContact CA-O 3.31Å; E380-N414 HydrophobicContact CB-CB 4.34Å; E380-N414 PolarHBondContact N-O 3.27Å; E380-N414 PolarHBondContact O-N 2.93Å; R412-N414 VanDerWaalsContact CG-OD1 3.24Å; R412-N414 WeakPolarHBondContact CG-OD1 3.28Å; N414-F416 PolarHBondContact O-N 2.94Å |
| 415 | P | 93.5 | Very high | 76.8 | Confident | 42 Ų | 42 | 71.8 Ų | 71.8 | 27% | 0.273 | 37% | 0.366 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -63.5 | 134.9 | 171.8 | 26.8 | -31.8 | 0 | 0 | 0 | 109.2 | V342 W344 F379 K417 | V342-P415 VanDerWaalsContact O-CD 3.27Å; V342-P415 WeakPolarHBondContact O-CD 3.49Å; V342-P415 WeakPolarHBondContact O-CG 3.49Å; W344-P415 HydrophobicContact CZ3-CB 4.43Å; W344-P415 HydrophobicContact CZ3-CG 4.19Å; F379-P415 HydrophobicContact CD1-CB 3.99Å; F379-P415 HydrophobicContact CE1-CB 3.95Å; P415-K417 PolarHBondContact O-N 2.81Å |
| 416 | F | 89.6 | Confident | 75.6 | Confident | 91 Ų | 91 | 74.4 Ų | 74.4 | 40% | 0.399 | 38% | 0.377 | S | S | . | . | P | Polyproline II helix | trans | -61.5 | 116.2 | 164.1 | -79.4 | -107.3 | 0 | 0 | 0 | 106.1 | K378 F379 E380 D392 N414 L418 | K378-F416 HydrophobicContact CB-CB 4.49Å; K378-F416 HydrophobicContact CB-CD2 4.1Å; K378-F416 HydrophobicContact CB-CG 4.42Å; K378-F416 HydrophobicContact CD-CD2 4.18Å; K378-F416 HydrophobicContact CD-CE2 4.21Å; K378-F416 HydrophobicContact CD-CG 4.35Å; K378-F416 HydrophobicContact CD-CZ 4.44Å; K378-F416 HydrophobicContact CG-CD2 3.72Å; K378-F416 HydrophobicContact CG-CE2 3.9Å; K378-F416 HydrophobicContact CG-CG 4.26Å; K378-F416 WeakPolarHBondContact O-CD2 3.17Å; K378-F416 PolarHBondContact O-N 3.41Å; F379-F416 VanDerWaalsContact C-CE2 3.43Å; E380-F416 HydrophobicContact CB-CE2 3.95Å; E380-F416 HydrophobicContact CB-CZ 4.42Å; D392-F416 HydrophobicContact CB-CE2 4.46Å; D392-F416 HydrophobicContact CB-CZ 4.48Å; D392-F416 WeakPolarHBondContact OD1-CZ 3.08Å; N414-F416 PolarHBondContact O-N 2.94Å; F416-L418 PolarHBondContact O-N 3.34Å; F416-L418 VanDerWaalsContact O-N 3.13Å |
| 417 | K | 70.9 | Confident | 74.4 | Confident | 181 Ų | 181 | 78.3 Ų | 78.3 | 79% | 0.787 | 40% | 0.395 | S | S | * | . | P | Polyproline II helix | trans | -52.7 | 127.5 | 173.3 | -74.5 | -174.9 | 178.5 | -179 | 0 | 107 | P415 V419 | P415-K417 PolarHBondContact O-N 2.81Å; K417-V419 VanDerWaalsContact C-N 3.25Å; K417-V419 PolarHBondContact O-N 2.98Å |
| 418 | L | 50.7 | Low | 72.9 | Confident | 124 Ų | 124 | 83.2 Ų | 83.2 | 65% | 0.649 | 42% | 0.42 | S | S | * | . | trans | -56.3 | 105 | 156.3 | -75.7 | 166 | 0 | 0 | 0 | 104.5 | F416 Y420 | F416-L418 PolarHBondContact O-N 3.34Å; F416-L418 VanDerWaalsContact O-N 3.13Å; L418-Y420 HydrophobicContact CB-CD2 4.3Å; L418-Y420 HydrophobicContact CB-CE2 4.14Å; L418-Y420 HydrophobicContact CD1-CE2 4.48Å; L418-Y420 PolarHBondContact O-N 3.27Å | ||
| 419 | V | 36.4 | Very low | 71.1 | Confident | 128 Ų | 128 | 88.5 Ų | 88.5 | 78% | 0.776 | 45% | 0.447 | S | S | * | . | trans | -61.4 | 93.1 | 157.6 | 180 | 0 | 0 | 0 | 0 | 102.8 | K417 S421 | K417-V419 VanDerWaalsContact C-N 3.25Å; K417-V419 PolarHBondContact O-N 2.98Å; V419-S421 PolarHBondContact O-N 3.42Å | ||
| 420 | Y | 36.9 | Very low | 69.2 | Low | 191 Ų | 191 | 92.6 Ų | 92.6 | 75% | 0.749 | 47% | 0.468 | S | S | * | . | trans | -61.9 | 94.9 | 158.2 | -74.4 | -78.2 | 0 | 0 | 0 | 103.9 | L418 V422 | L418-Y420 HydrophobicContact CB-CD2 4.3Å; L418-Y420 HydrophobicContact CB-CE2 4.14Å; L418-Y420 HydrophobicContact CD1-CE2 4.48Å; L418-Y420 PolarHBondContact O-N 3.27Å; Y420-V422 VanDerWaalsContact C-N 3.25Å; Y420-V422 PolarHBondContact O-N 2.94Å | ||
| 421 | S | 30.8 | Very low | 66.9 | Low | 93 Ų | 93 | 99.8 Ų | 99.8 | 65% | 0.65 | 50% | 0.504 | S | S | * | . | trans | -56 | 102.3 | 158.4 | 50.6 | 0 | 0 | 0 | 0 | 105.1 | V419 Q423 | V419-S421 PolarHBondContact O-N 3.42Å; S421-Q423 VanDerWaalsContact C-N 3.29Å; S421-Q423 PolarHBondContact O-N 3.26Å | ||
| 422 | V | 37.1 | Very low | 64.3 | Low | 143 Ų | 143 | 108.1 Ų | 108.1 | 87% | 0.867 | 55% | 0.546 | S | S | * | . | trans | -64.2 | 102.7 | 158.6 | -177.7 | 0 | 0 | 0 | 0 | 104.5 | Y420 | Y420-V422 VanDerWaalsContact C-N 3.25Å; Y420-V422 PolarHBondContact O-N 2.94Å | ||
| 423 | Q | 35.3 | Very low | 61.3 | Low | 246 Ų | 246 | 114.7 Ų | 114.7 | 100% | 1.15 | 58% | 0.584 | S | S | * | * | trans | -81.5 | 0 | 154.2 | -89 | -173.6 | -31 | 0 | 0 | 108.5 | S421 | S421-Q423 VanDerWaalsContact C-N 3.29Å; S421-Q423 PolarHBondContact O-N 3.26Å |
Retrieved 423 of 423 residues in 310.2 ms
(Link to these results)