| 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 | 32.6 | Very low | 62 | Low | 241 Ų | 241 | 98.9 Ų | 98.9 | 100% | 1.187 | 47% | 0.474 | S | S | * | . | 0 | 106.7 | 0 | -86.8 | 171.9 | 151.5 | 0 | 0 | 106.8 | K3 | M1-K3 PolarHBondContact O-N 3.39Š| |||
| 2 | E | 27.9 | Very low | 64.2 | Low | 195 Ų | 195 | 90.8 Ų | 90.8 | 91% | 0.911 | 44% | 0.435 | S | S | * | . | trans | -62.3 | 119.3 | 178.7 | -71.4 | 171.5 | 140.6 | 0 | 0 | 108.6 | E4 | E2-E4 PolarHBondContact O-N 2.99Š| ||
| 3 | K | 39.3 | Very low | 66 | Low | 183 Ų | 183 | 85.7 Ų | 85.7 | 80% | 0.796 | 42% | 0.417 | S | S | * | . | trans | -65.4 | 100.4 | 169.8 | -80.8 | -177.3 | 173.4 | -175.8 | 0 | 106.5 | M1 Q5 | M1-K3 PolarHBondContact O-N 3.39Å; K3-Q5 PolarHBondContact O-N 3.29Å; K3-Q5 VanDerWaalsContact O-N 3.11Å | ||
| 4 | E | 43.4 | Very low | 67.3 | Low | 132 Ų | 132 | 81.3 Ų | 81.3 | 62% | 0.617 | 40% | 0.399 | S | S | * | . | trans | -49.2 | 121 | 168.1 | -82.5 | -178.6 | 147.4 | 0 | 0 | 108.2 | E2 R6 | E2-E4 PolarHBondContact O-N 2.99Å; E4-R6 PolarHBondContact O-N 3.13Å | ||
| 5 | Q | 51.1 | Low | 68.6 | Low | 187 Ų | 187 | 77 Ų | 77 | 87% | 0.874 | 38% | 0.378 | S | S | * | . | trans | -68.6 | 83.9 | -179.7 | -87 | 178.2 | -23.1 | 0 | 0 | 109.7 | K3 S7 | K3-Q5 PolarHBondContact O-N 3.29Å; K3-Q5 VanDerWaalsContact O-N 3.11Å; Q5-S7 PolarHBondContact O-N 3.29Å; Q5-S7 VanDerWaalsContact O-N 3.15Å | ||
| 6 | R | 64 | Low | 69.6 | Low | 66 Ų | 66 | 84.1 Ų | 84.1 | 25% | 0.249 | 40% | 0.399 | C | S | . | . | trans | -62.4 | 112 | 167.8 | -66.5 | 175.7 | 179.4 | 179.2 | 3.3 | 107.8 | E4 W36 G52 V53 K54 G79 G80 G81 | E4-R6 PolarHBondContact O-N 3.13Å; R6-W36 WeakPolarHBondContact O-CZ3 3.37Å; R6-G52 WeakPolarHBondContact CA-O 3.46Å; R6-V53 WeakPolarHBondContact CD-O 3.05Å; R6-K54 HydrophobicContact CB-CB 3.87Å; R6-K54 HydrophobicContact CB-CD 4.11Å; R6-G79 PolarHBondContact NH1-O 3.33Å; R6-G79 PolarHBondContact NH2-O 2.97Å; R6-G80 PolarHBondContact NH1-O 3.14Å; R6-G81 VanDerWaalsContact NH1-N 3.14Å | ||
| 7 | S | 71.3 | Confident | 70.7 | Confident | 68 Ų | 68 | 79.9 Ų | 79.9 | 48% | 0.476 | 38% | 0.379 | S | S | . | . | trans | -129.6 | 3.2 | -169.8 | 56.3 | 0 | 0 | 0 | 0 | 113.9 | Q5 K37 G52 | Q5-S7 PolarHBondContact O-N 3.29Å; Q5-S7 VanDerWaalsContact O-N 3.15Å; S7-K37 PolarHBondContact O-N 3.42Å; S7-G52 PolarHBondContact N-O 3.27Å | ||
| 8 | S | 84.6 | Confident | 71.6 | Confident | 12 Ų | 12 | 77.7 Ų | 77.7 | 8% | 0.084 | 37% | 0.369 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.8 | 144.9 | 177.4 | 57.7 | 0 | 0 | 0 | 0 | 112.9 | K37 G52 V53 K54 | S8-K37 CarbonylContact C-O 3.57Å; S8-K37 VanDerWaalsContact CA-O 3.23Å; S8-K37 WeakPolarHBondContact CA-O 3.15Å; S8-G52 PolarHBondContact OG-O 3.39Å; S8-V53 WeakPolarHBondContact OG-CA 3.42Å; S8-K54 PolarHBondContact O-N 3.17Å |
| 9 | V | 88.1 | Confident | 72.4 | Confident | 0 Ų | 0 | 74.7 Ų | 74.7 | 0% | 0 | 36% | 0.355 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.6 | 126.1 | 170.1 | 178 | 0 | 0 | 0 | 0 | 107.7 | F11 W36 K37 I38 Q39 L55 I57 M240 | V9-F11 HydrophobicContact CG1-CE2 4.13Å; V9-W36 HydrophobicContact CG2-CB 3.81Å; V9-W36 HydrophobicContact CG2-CG 4.1Å; V9-K37 PolarHBondContact N-O 2.88Å; V9-I38 WeakPolarHBondContact O-CA 3.23Å; V9-Q39 PolarHBondContact O-N 3.32Å; V9-L55 WeakPolarHBondContact CA-O 3.41Å; V9-L55 HydrophobicContact CG1-CB 4.33Å; V9-L55 HydrophobicContact CG1-CD2 4.24Å; V9-L55 HydrophobicContact CG1-CG 4.35Å; V9-L55 HydrophobicContact CG2-CB 4.3Å; V9-I57 HydrophobicContact CG1-CD1 3.59Å; V9-I57 HydrophobicContact CG1-CG1 4.19Å; V9-M240 HydrophobicContact CG2-SD 4Å |
| 10 | V | 90.1 | Very high | 73 | Confident | 1 Ų | 1 | 72.5 Ų | 72.5 | 1% | 0.006 | 35% | 0.346 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.5 | 124.7 | -178.3 | 172.4 | 0 | 0 | 0 | 0 | 110.3 | Q39 M41 V53 L55 I57 | V10-Q39 WeakPolarHBondContact CA-O 3.31Å; V10-Q39 HydrophobicContact CG2-CB 4.25Å; V10-M41 HydrophobicContact CG1-CB 3.62Å; V10-M41 HydrophobicContact CG1-CE 4.06Å; V10-M41 HydrophobicContact CG1-SD 4.44Å; V10-V53 HydrophobicContact CB-CG1 3.95Å; V10-V53 HydrophobicContact CG2-CB 4.25Å; V10-V53 HydrophobicContact CG2-CG1 3.6Å; V10-V53 HydrophobicContact CG2-CG2 3.53Å; V10-L55 PolarHBondContact N-O 2.64Å; V10-I57 PolarHBondContact O-N 2.6Å |
| 11 | F | 89.6 | Confident | 73.3 | Confident | 3 Ų | 3 | 69.2 Ų | 69.2 | 1% | 0.013 | 33% | 0.331 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.3 | 119.7 | 166 | -74.7 | -97.7 | 0 | 0 | 0 | 109.5 | V9 A21 Y25 L28 L32 I38 Q39 S40 M41 I57 | V9-F11 HydrophobicContact CG1-CE2 4.13Å; F11-A21 HydrophobicContact CB-CB 4.12Å; F11-A21 HydrophobicContact CG-CB 4.42Å; F11-Y25 HydrophobicContact CD1-CD2 4.28Å; F11-Y25 AromaticContact CE1-CD2 3.84Å; F11-Y25 HydrophobicContact CE1-CD2 3.84Å; F11-Y25 HydrophobicContact CE1-CE2 4.37Å; F11-L28 HydrophobicContact CE1-CD2 4.03Å; F11-L28 HydrophobicContact CZ-CD2 3.96Å; F11-L28 HydrophobicContact CZ-CG 4.46Å; F11-L32 HydrophobicContact CE2-CD1 4.36Å; F11-L32 HydrophobicContact CZ-CD1 4.12Å; F11-I38 HydrophobicContact CD2-CG2 3.62Å; F11-I38 HydrophobicContact CE2-CG2 3.76Å; F11-Q39 PolarHBondContact N-O 3.23Å; F11-S40 WeakPolarHBondContact O-CA 3.47Å; F11-M41 PolarHBondContact O-N 3.44Å; F11-I57 HydrophobicContact CD1-CB 4.2Å; F11-I57 HydrophobicContact CD1-CD1 4.46Å; F11-I57 HydrophobicContact CD1-CG2 4.15Å; F11-I57 HydrophobicContact CE1-CB 4.36Å; F11-I57 HydrophobicContact CE1-CD1 3.92Å; F11-I57 HydrophobicContact CE1-CG2 4.08Å; F11-I57 HydrophobicContact CE2-CD1 4.05Å; F11-I57 HydrophobicContact CZ-CD1 3.7Å |
| 12 | N | 88.8 | Confident | 75.5 | Confident | 2 Ų | 2 | 63.1 Ų | 63.1 | 1% | 0.011 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.1 | 135.6 | 174.7 | -155.7 | 45 | 0 | 0 | 0 | 110.4 | S14 E17 W56 I57 | N12-S14 PolarHBondContact ND2-OG 3.46Å; N12-S14 PolarHBondContact OD1-OG 3.15Å; N12-E17 VanDerWaalsContact CB-OE1 3.31Å; N12-E17 WeakPolarHBondContact CB-OE1 3.45Å; N12-E17 VanDerWaalsContact CG-OE1 3.26Å; N12-E17 PolarHBondContact ND2-OE1 3.09Å; N12-E17 VanDerWaalsContact O-CD 3.22Å; N12-E17 WeakPolarHBondContact O-CG 3.31Å; N12-W56 HydrophobicContact CB-CZ2 3.76Å; N12-I57 WeakPolarHBondContact CB-O 3.36Å; N12-I57 PolarHBondContact N-O 3.36Å |
| 13 | A | 87.3 | Confident | 78 | Confident | 24 Ų | 24 | 58.8 Ų | 58.8 | 20% | 0.198 | 29% | 0.287 | C | S | . | . | trans | -135.9 | 11.2 | 176.1 | 0 | 0 | 0 | 0 | 0 | 111 | E17 T20 M41 K42 | A13-E17 WeakPolarHBondContact CA-OE2 3.4Å; A13-E17 PolarHBondContact N-OE2 3.24Å; A13-T20 HydrophobicContact CB-CG2 4.09Å; A13-M41 CarbonylContact C-O 3.59Å; A13-M41 WeakPolarHBondContact CA-O 3.47Å; A13-M41 WeakPolarHBondContact CB-O 3.42Å; A13-M41 PolarHBondContact N-O 2.85Å; A13-K42 HydrophobicContact CB-CG 4.08Å | ||
| 14 | S | 84.6 | Confident | 79.9 | Confident | 24 Ų | 24 | 50.8 Ų | 50.8 | 17% | 0.168 | 26% | 0.256 | C | S | . | . | S | Bend | trans | -82.4 | -23 | -176.5 | 60.7 | 0 | 0 | 0 | 0 | 113.1 | N12 E17 M41 E43 | N12-S14 PolarHBondContact ND2-OG 3.46Å; N12-S14 PolarHBondContact OD1-OG 3.15Å; S14-E17 PolarHBondContact N-OE2 2.91Å; S14-M41 PolarHBondContact N-O 3.01Å; S14-E43 WeakPolarHBondContact CB-O 3.18Å |
| 15 | K | 85.9 | Confident | 81.9 | Confident | 17 Ų | 17 | 44.5 Ų | 44.5 | 7% | 0.074 | 23% | 0.226 | C | C | . | . | S | Bend | trans | -109.7 | 31.1 | -175.3 | -60.8 | -61 | -176.6 | 177.8 | 0 | 112.6 | E17 P61 R62 E63 K64 F65 E69 | K15-E17 VanDerWaalsContact C-N 3.29Å; K15-E17 PolarHBondContact N-OE2 3.17Å; K15-E17 PolarHBondContact O-N 3.05Å; K15-P61 HydrophobicContact CB-CB 4.04Å; K15-R62 PolarHBondContact O-N 2.97Å; K15-E63 HydrophobicContact CB-CB 4.06Å; K15-E63 HydrophobicContact CD-CB 4.07Å; K15-E63 HydrophobicContact CD-CG 4.31Å; K15-E63 PolarHBondContact O-N 3.39Å; K15-K64 PolarHBondContact NZ-O 3.44Å; K15-F65 HydrophobicContact CB-CZ 4.34Å; K15-F65 HydrophobicContact CD-CE1 4.48Å; K15-F65 HydrophobicContact CG-CD1 4.2Å; K15-F65 HydrophobicContact CG-CE1 3.7Å; K15-F65 HydrophobicContact CG-CE2 4.25Å; K15-F65 HydrophobicContact CG-CZ 3.73Å; K15-E69 WeakPolarHBondContact CE-OE1 3.34Å; K15-E69 VanDerWaalsContact CE-OE2 3.3Å; K15-E69 WeakPolarHBondContact CE-OE2 3.42Å; K15-E69 VanDerWaalsContact NZ-CD 3.28Å; K15-E69 IonicContact NZ-OE1 2.9Å; K15-E69 PolarHBondContact NZ-OE1 2.9Å; K15-E69 IonicContact NZ-OE2 3.47Å; K15-E69 PolarHBondContact NZ-OE2 3.28Å |
| 16 | R | 85.8 | Confident | 83.5 | Confident | 191 Ų | 191 | 42.2 Ų | 42.2 | 72% | 0.721 | 21% | 0.214 | S | C | * | . | trans | 52.4 | 46.6 | 179.4 | -58.9 | 179.8 | 179.8 | -168.7 | -1 | 112.7 | R62 E63 | R16-R62 HydrophobicContact CB-CB 4.41Å; R16-R62 WeakPolarHBondContact O-CB 3.35Å; R16-E63 IonicContact NE-OE2 3.34Å | ||
| 17 | E | 87.1 | Confident | 84.5 | Confident | 13 Ų | 13 | 40.8 Ų | 40.8 | 6% | 0.061 | 21% | 0.214 | C | C | . | . | trans | -53.2 | 139.6 | 179.5 | -75.1 | 80.1 | 176.2 | 0 | 0 | 112.2 | N12 A13 S14 K15 F19 T20 T58 A59 G60 | N12-E17 VanDerWaalsContact CB-OE1 3.31Å; N12-E17 WeakPolarHBondContact CB-OE1 3.45Å; N12-E17 VanDerWaalsContact CG-OE1 3.26Å; N12-E17 PolarHBondContact ND2-OE1 3.09Å; N12-E17 VanDerWaalsContact O-CD 3.22Å; N12-E17 WeakPolarHBondContact O-CG 3.31Å; A13-E17 WeakPolarHBondContact CA-OE2 3.4Å; A13-E17 PolarHBondContact N-OE2 3.24Å; S14-E17 PolarHBondContact N-OE2 2.91Å; K15-E17 VanDerWaalsContact C-N 3.29Å; K15-E17 PolarHBondContact N-OE2 3.17Å; K15-E17 PolarHBondContact O-N 3.05Å; E17-F19 VanDerWaalsContact C-N 3.31Å; E17-F19 WeakPolarHBondContact CB-O 3.41Å; E17-F19 PolarHBondContact O-N 3.12Å; E17-T20 HydrophobicContact CB-CG2 4.14Å; E17-T58 PolarHBondContact OE1-OG1 2.97Å; E17-A59 WeakPolarHBondContact CB-O 3.44Å; E17-G60 WeakPolarHBondContact CA-O 3.23Å | ||
| 18 | L | 86.7 | Confident | 85.2 | Confident | 39 Ų | 39 | 37.6 Ų | 37.6 | 20% | 0.204 | 19% | 0.191 | C | C | . | . | S | Bend | trans | -60.9 | -43.8 | 175.9 | 174.3 | 58.8 | 0 | 0 | 0 | 111.4 | A59 G60 Y95 | L18-A59 PolarHBondContact N-O 3.22Å; L18-G60 PolarHBondContact N-O 3.34Å; L18-Y95 HydrophobicContact CB-CE1 4.35Å; L18-Y95 HydrophobicContact CD2-CE1 4.3Å; L18-Y95 WeakPolarHBondContact CD2-OH 3.41Å |
| 19 | F | 87.5 | Confident | 85.2 | Confident | 22 Ų | 22 | 37.6 Ų | 37.6 | 10% | 0.096 | 19% | 0.19 | C | C | . | . | S | Bend | trans | -114.9 | 133.3 | 176 | -64.4 | -63.3 | 0 | 0 | 0 | 110.1 | E17 Y25 A59 C215 H216 | E17-F19 VanDerWaalsContact C-N 3.31Å; E17-F19 WeakPolarHBondContact CB-O 3.41Å; E17-F19 PolarHBondContact O-N 3.12Å; F19-Y25 HydrophobicContact CB-CD2 3.8Å; F19-Y25 HydrophobicContact CB-CE1 4.19Å; F19-Y25 HydrophobicContact CB-CE2 3.36Å; F19-Y25 HydrophobicContact CB-CG 4.38Å; F19-Y25 HydrophobicContact CD2-CE1 4.39Å; F19-Y25 HydrophobicContact CG-CE1 4.23Å; F19-Y25 HydrophobicContact CG-CE2 4.24Å; F19-Y25 AromaticContact CG-CZ 3.93Å; F19-A59 HydrophobicContact CB-CB 4.01Å; F19-A59 PolarHBondContact N-O 3.32Å; F19-C215 HydrophobicContact CD2-CB 3.89Å; F19-C215 HydrophobicContact CE2-CB 4.23Å; F19-H216 AromaticContact CE2-CE1 3.84Å; F19-H216 AromaticContact CE2-CG 3.95Å; F19-H216 AromaticContact CE2-ND1 3.77Å; F19-H216 AromaticContact CZ-CE1 3.61Å; F19-H216 AromaticContact CZ-ND1 3.51Å |
| 20 | T | 84.9 | Confident | 85.1 | Confident | 29 Ų | 29 | 45.8 Ų | 45.8 | 18% | 0.178 | 23% | 0.226 | C | C | . | . | B | Isolated β-bridge | trans | -128.6 | 172 | 179.5 | 60.6 | 0 | 0 | 0 | 0 | 109.1 | A13 E17 N22 N23 | A13-T20 HydrophobicContact CB-CG2 4.09Å; E17-T20 HydrophobicContact CB-CG2 4.14Å; T20-N22 PolarHBondContact O-N 3.23Å; T20-N22 PolarHBondContact OG1-N 3.35Å; T20-N23 PolarHBondContact N-O 2.66Å; T20-N23 CarbonylContact O-C 3.56Å; T20-N23 PolarHBondContact O-N 3.11Å; T20-N23 PolarHBondContact OG1-N 3.06Å |
| 21 | A | 77.9 | Confident | 84.8 | Confident | 4 Ų | 4 | 50.3 Ų | 50.3 | 3% | 0.033 | 24% | 0.243 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -46.4 | -35.1 | 170.1 | 0 | 0 | 0 | 0 | 0 | 114.1 | F11 Q29 | F11-A21 HydrophobicContact CB-CB 4.12Å; F11-A21 HydrophobicContact CG-CB 4.42Å; A21-Q29 VanDerWaalsContact C-NE2 3.3Å; A21-Q29 PolarHBondContact O-NE2 2.97Å; A21-Q29 PolarHBondContact O-OE1 3.17Å |
| 22 | N | 78.6 | Confident | 84.5 | Confident | 114 Ų | 114 | 50.7 Ų | 50.7 | 61% | 0.61 | 25% | 0.245 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -94.5 | -16.2 | -176.2 | -64.6 | -25.2 | 0 | 0 | 0 | 113.3 | T20 | T20-N22 PolarHBondContact O-N 3.23Å; T20-N22 PolarHBondContact OG1-N 3.35Å |
| 23 | N | 81.4 | Confident | 84.2 | Confident | 104 Ų | 104 | 58.3 Ų | 58.3 | 56% | 0.556 | 27% | 0.273 | S | S | * | . | B | Isolated β-bridge | trans | -133.3 | 115.1 | -170.7 | -167 | 25.3 | 0 | 0 | 0 | 112.1 | T20 Y25 | T20-N23 PolarHBondContact N-O 2.66Å; T20-N23 CarbonylContact O-C 3.56Å; T20-N23 PolarHBondContact O-N 3.11Å; T20-N23 PolarHBondContact OG1-N 3.06Å; N23-Y25 PolarHBondContact O-N 3.32Å |
| 24 | G | 78.6 | Confident | 83.9 | Confident | 14 Ų | 14 | 61.3 Ų | 61.3 | 14% | 0.144 | 30% | 0.298 | C | S | . | . | B | Isolated β-bridge | trans | 85.4 | -9.6 | 171.6 | 0 | 0 | 0 | 0 | 0 | 117.3 | S219 D220 | G24-S219 WeakPolarHBondContact O-CA 3.38Å; G24-D220 PolarHBondContact O-N 3.5Å |
| 25 | Y | 86.4 | Confident | 83.6 | Confident | 0 Ų | 0 | 67.8 Ų | 67.8 | 0% | 0 | 33% | 0.326 | C | S | . | . | trans | -119.8 | 31.5 | 179.7 | -71.6 | -29.6 | 0 | 0 | 0 | 113.9 | F11 F19 N23 S27 L28 Q29 A59 M86 C215 F218 | F11-Y25 HydrophobicContact CD1-CD2 4.28Å; F11-Y25 AromaticContact CE1-CD2 3.84Å; F11-Y25 HydrophobicContact CE1-CD2 3.84Å; F11-Y25 HydrophobicContact CE1-CE2 4.37Å; F19-Y25 HydrophobicContact CB-CD2 3.8Å; F19-Y25 HydrophobicContact CB-CE1 4.19Å; F19-Y25 HydrophobicContact CB-CE2 3.36Å; F19-Y25 HydrophobicContact CB-CG 4.38Å; F19-Y25 HydrophobicContact CD2-CE1 4.39Å; F19-Y25 HydrophobicContact CG-CE1 4.23Å; F19-Y25 HydrophobicContact CG-CE2 4.24Å; F19-Y25 AromaticContact CG-CZ 3.93Å; N23-Y25 PolarHBondContact O-N 3.32Å; Y25-S27 VanDerWaalsContact C-N 3.34Å; Y25-S27 PolarHBondContact O-N 3.33Å; Y25-L28 HydrophobicContact CD1-CB 4.42Å; Y25-L28 HydrophobicContact CD1-CD2 3.94Å; Y25-L28 HydrophobicContact CD2-CD2 4.04Å; Y25-L28 HydrophobicContact CE1-CD2 4.42Å; Y25-L28 HydrophobicContact CE2-CD2 4.46Å; Y25-L28 HydrophobicContact CG-CB 4.43Å; Y25-L28 HydrophobicContact CG-CD2 3.77Å; Y25-L28 PolarHBondContact O-N 3.13Å; Y25-Q29 WeakPolarHBondContact O-CB 3.29Å; Y25-Q29 VanDerWaalsContact O-CG 3.27Å; Y25-Q29 WeakPolarHBondContact O-CG 3.49Å; Y25-Q29 PolarHBondContact O-N 3.11Å; Y25-A59 HydrophobicContact CE2-CB 3.5Å; Y25-A59 VanDerWaalsContact CE2-CB 3.5Å; Y25-M86 HydrophobicContact CE2-CE 3.97Å; Y25-M86 WeakPolarHBondContact OH-CE 3.29Å; Y25-C215 PolarHBondContact OH-O 3.1Å; Y25-F218 VanDerWaalsContact CD1-O 3.28Å; Y25-F218 WeakPolarHBondContact CD1-O 3.47Å; Y25-F218 HydrophobicContact CE1-CB 4.03Å; Y25-F218 WeakPolarHBondContact CE1-O 3.34Å | ||
| 26 | K | 84.9 | Confident | 83.5 | Confident | 140 Ų | 140 | 69.7 Ų | 69.7 | 61% | 0.609 | 33% | 0.332 | S | S | * | . | H | α-helix | trans | -63.6 | -40.8 | -179.3 | -66.7 | 178.3 | -179.2 | 173.8 | 0 | 111.9 | Q29 K30 D220 | K26-Q29 PolarHBondContact O-N 3.03Å; K26-K30 WeakPolarHBondContact O-CB 3.33Å; K26-K30 PolarHBondContact O-N 2.94Å; K26-D220 WeakPolarHBondContact CB-OD2 3.27Å; K26-D220 PolarHBondContact N-OD1 2.83Å; K26-D220 PolarHBondContact N-OD2 2.93Å; K26-D220 VanDerWaalsContact N-OD2 3.11Å |
| 27 | S | 84.8 | Confident | 83.5 | Confident | 36 Ų | 36 | 67.1 Ų | 67.1 | 25% | 0.252 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -68.5 | -43.7 | 177.9 | -67.3 | 0 | 0 | 0 | 0 | 111.3 | Y25 Q29 K30 R31 D220 | Y25-S27 VanDerWaalsContact C-N 3.34Å; Y25-S27 PolarHBondContact O-N 3.33Å; S27-Q29 PolarHBondContact O-N 3.06Å; S27-K30 PolarHBondContact O-N 3.46Å; S27-R31 PolarHBondContact O-N 2.88Å; S27-D220 WeakPolarHBondContact CB-OD1 3.31Å; S27-D220 PolarHBondContact N-OD1 3.38Å |
| 28 | L | 85.1 | Confident | 83.4 | Confident | 0 Ų | 0 | 67.9 Ų | 67.9 | 0% | 0 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -57.9 | -47.9 | 173.5 | 173.8 | 64.5 | 0 | 0 | 0 | 111 | F11 Y25 K30 R31 L32 F218 L223 M232 F236 | F11-L28 HydrophobicContact CE1-CD2 4.03Å; F11-L28 HydrophobicContact CZ-CD2 3.96Å; F11-L28 HydrophobicContact CZ-CG 4.46Å; Y25-L28 HydrophobicContact CD1-CB 4.42Å; Y25-L28 HydrophobicContact CD1-CD2 3.94Å; Y25-L28 HydrophobicContact CD2-CD2 4.04Å; Y25-L28 HydrophobicContact CE1-CD2 4.42Å; Y25-L28 HydrophobicContact CE2-CD2 4.46Å; Y25-L28 HydrophobicContact CG-CB 4.43Å; Y25-L28 HydrophobicContact CG-CD2 3.77Å; Y25-L28 PolarHBondContact O-N 3.13Å; L28-K30 PolarHBondContact O-N 3.19Å; L28-R31 PolarHBondContact O-N 3.3Å; L28-L32 HydrophobicContact CD1-CD1 3.88Å; L28-L32 HydrophobicContact CD1-CG 4.26Å; L28-L32 HydrophobicContact CG-CD1 3.97Å; L28-L32 WeakPolarHBondContact O-CG 3Å; L28-L32 PolarHBondContact O-N 2.89Å; L28-F218 HydrophobicContact CD2-CB 4.46Å; L28-L223 HydrophobicContact CB-CD2 4.32Å; L28-M232 HydrophobicContact CD1-CG 3.85Å; L28-M232 HydrophobicContact CD1-SD 3.27Å; L28-M232 WeakPolarHBondContact CD1-SD 3.37Å; L28-F236 HydrophobicContact CD1-CE2 3.68Å; L28-F236 HydrophobicContact CD1-CZ 3.92Å |
| 29 | Q | 85.7 | Confident | 83.4 | Confident | 12 Ų | 12 | 70.2 Ų | 70.2 | 6% | 0.056 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -62 | -42.6 | 177.1 | -77.4 | -157.2 | -7.8 | 0 | 0 | 113.2 | A21 Y25 K26 S27 R31 L32 R33 I38 | A21-Q29 VanDerWaalsContact C-NE2 3.3Å; A21-Q29 PolarHBondContact O-NE2 2.97Å; A21-Q29 PolarHBondContact O-OE1 3.17Å; Y25-Q29 WeakPolarHBondContact O-CB 3.29Å; Y25-Q29 VanDerWaalsContact O-CG 3.27Å; Y25-Q29 WeakPolarHBondContact O-CG 3.49Å; Y25-Q29 PolarHBondContact O-N 3.11Å; K26-Q29 PolarHBondContact O-N 3.03Å; S27-Q29 PolarHBondContact O-N 3.06Å; Q29-R31 PolarHBondContact O-N 3.39Å; Q29-L32 PolarHBondContact O-N 3.43Å; Q29-R33 WeakPolarHBondContact O-CB 3.48Å; Q29-R33 VanDerWaalsContact O-CG 3.27Å; Q29-R33 WeakPolarHBondContact O-CG 3.4Å; Q29-R33 PolarHBondContact O-N 3.33Å; Q29-I38 HydrophobicContact CB-CD1 3.8Å; Q29-I38 HydrophobicContact CG-CD1 3.79Å; Q29-I38 WeakPolarHBondContact O-CD1 3.31Å |
| 30 | K | 86.1 | Confident | 83.4 | Confident | 172 Ų | 172 | 71.4 Ų | 71.4 | 75% | 0.748 | 35% | 0.351 | S | S | * | . | H | α-helix | trans | -58 | -39.9 | 179.8 | -175.4 | -178.9 | 176.4 | -175 | 0 | 111.1 | K26 S27 L28 | K26-K30 WeakPolarHBondContact O-CB 3.33Å; K26-K30 PolarHBondContact O-N 2.94Å; S27-K30 PolarHBondContact O-N 3.46Å; L28-K30 PolarHBondContact O-N 3.19Å |
| 31 | R | 82.4 | Confident | 83.3 | Confident | 97 Ų | 97 | 71 Ų | 71 | 37% | 0.366 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -70 | -46.8 | 176 | -68.7 | -173.5 | -179.3 | -138.2 | 6.7 | 112.1 | S27 L28 Q29 R33 A34 D224 M232 D233 | S27-R31 PolarHBondContact O-N 2.88Å; L28-R31 PolarHBondContact O-N 3.3Å; Q29-R31 PolarHBondContact O-N 3.39Å; R31-R33 PolarHBondContact O-N 3.17Å; R31-A34 VanDerWaalsContact O-CB 3.31Å; R31-A34 WeakPolarHBondContact O-CB 3.31Å; R31-A34 PolarHBondContact O-N 2.89Å; R31-D224 IonicContact NH2-OD1 2.62Å; R31-M232 HydrophobicContact CB-CE 4.37Å; R31-D233 IonicContact NH1-OD2 2.65Å |
| 32 | L | 83.2 | Confident | 83.4 | Confident | 11 Ų | 11 | 78.3 Ų | 78.3 | 6% | 0.058 | 38% | 0.379 | C | S | . | . | H | α-helix | trans | -66.8 | -33.6 | -179.3 | -70.4 | 174 | 0 | 0 | 0 | 113.3 | F11 L28 Q29 A34 Q35 W36 I38 F236 M240 | F11-L32 HydrophobicContact CE2-CD1 4.36Å; F11-L32 HydrophobicContact CZ-CD1 4.12Å; L28-L32 HydrophobicContact CD1-CD1 3.88Å; L28-L32 HydrophobicContact CD1-CG 4.26Å; L28-L32 HydrophobicContact CG-CD1 3.97Å; L28-L32 WeakPolarHBondContact O-CG 3Å; L28-L32 PolarHBondContact O-N 2.89Å; Q29-L32 PolarHBondContact O-N 3.43Å; L32-A34 PolarHBondContact O-N 2.77Å; L32-A34 VanDerWaalsContact O-N 3.14Å; L32-Q35 PolarHBondContact O-N 2.69Å; L32-Q35 VanDerWaalsContact O-N 3.13Å; L32-W36 PolarHBondContact O-N 3.37Å; L32-I38 HydrophobicContact CB-CD1 3.76Å; L32-I38 HydrophobicContact CB-CG1 4.41Å; L32-F236 HydrophobicContact CD1-CD1 4.44Å; L32-F236 HydrophobicContact CD1-CE1 3.72Å; L32-F236 HydrophobicContact CD1-CZ 3.8Å; L32-F236 HydrophobicContact CD2-CD1 3.64Å; L32-F236 HydrophobicContact CD2-CD2 4.49Å; L32-F236 HydrophobicContact CD2-CE1 3.78Å; L32-F236 HydrophobicContact CD2-CG 4Å; L32-F236 HydrophobicContact CD2-CZ 4.31Å; L32-F236 HydrophobicContact CG-CE1 4.38Å; L32-M240 HydrophobicContact CD2-CE 4.02Å |
| 33 | R | 83.6 | Confident | 83.4 | Confident | 162 Ų | 162 | 78.9 Ų | 78.9 | 61% | 0.611 | 38% | 0.378 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.5 | -17.9 | 176.4 | -78.2 | -177.1 | -167 | -177.9 | 6.2 | 113.8 | Q29 R31 Q35 W36 I38 | Q29-R33 WeakPolarHBondContact O-CB 3.48Å; Q29-R33 VanDerWaalsContact O-CG 3.27Å; Q29-R33 WeakPolarHBondContact O-CG 3.4Å; Q29-R33 PolarHBondContact O-N 3.33Å; R31-R33 PolarHBondContact O-N 3.17Å; R33-Q35 PolarHBondContact O-N 3.02Å; R33-W36 WeakPolarHBondContact CA-O 3.48Å; R33-I38 HydrophobicContact CG-CD1 3.59Å; R33-I38 HydrophobicContact CG-CG1 3.93Å |
| 34 | A | 81.2 | Confident | 83.1 | Confident | 86 Ų | 86 | 81.2 Ų | 81.2 | 71% | 0.711 | 39% | 0.386 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.4 | -27.3 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | R31 L32 | R31-A34 VanDerWaalsContact O-CB 3.31Å; R31-A34 WeakPolarHBondContact O-CB 3.31Å; R31-A34 PolarHBondContact O-N 2.89Å; L32-A34 PolarHBondContact O-N 2.77Å; L32-A34 VanDerWaalsContact O-N 3.14Å |
| 35 | Q | 78.4 | Confident | 83.2 | Confident | 161 Ų | 161 | 81.1 Ų | 81.1 | 75% | 0.752 | 38% | 0.382 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -124.5 | -24 | -174.2 | -66 | -179.9 | -4.1 | 0 | 0 | 113.6 | L32 R33 | L32-Q35 PolarHBondContact O-N 2.69Å; L32-Q35 VanDerWaalsContact O-N 3.13Å; R33-Q35 PolarHBondContact O-N 3.02Å |
| 36 | W | 83.4 | Confident | 83 | Confident | 56 Ų | 56 | 82.9 Ų | 82.9 | 21% | 0.212 | 39% | 0.394 | C | S | . | . | S | Bend | trans | -135.1 | 152.2 | -170.1 | -56.7 | 92.4 | 0 | 0 | 0 | 113.2 | R6 V9 L32 R33 K54 M240 | R6-W36 WeakPolarHBondContact O-CZ3 3.37Å; V9-W36 HydrophobicContact CG2-CB 3.81Å; V9-W36 HydrophobicContact CG2-CG 4.1Å; L32-W36 PolarHBondContact O-N 3.37Å; R33-W36 WeakPolarHBondContact CA-O 3.48Å; W36-K54 HydrophobicContact CH2-CD 4.24Å; W36-K54 HydrophobicContact CH2-CG 4.28Å; W36-K54 HydrophobicContact CZ3-CB 4.22Å; W36-K54 HydrophobicContact CZ3-CD 4.26Å; W36-K54 HydrophobicContact CZ3-CG 4.08Å; W36-M240 HydrophobicContact CD2-SD 3.95Å; W36-M240 VanDerWaalsContact CE2-SD 3.59Å; W36-M240 HydrophobicContact CG-SD 4.14Å; W36-M240 HydrophobicContact CH2-CB 4.41Å; W36-M240 HydrophobicContact CZ2-CB 3.83Å; W36-M240 HydrophobicContact CZ2-CG 4.39Å; W36-M240 HydrophobicContact CZ2-SD 4.05Å |
| 37 | K | 85.6 | Confident | 82.7 | Confident | 138 Ų | 138 | 79.9 Ų | 79.9 | 60% | 0.6 | 38% | 0.384 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -84.1 | 117.3 | 174.6 | -171.5 | 178.7 | -178.9 | -178.4 | 0 | 110.1 | S7 S8 V9 | S7-K37 PolarHBondContact O-N 3.42Å; S8-K37 CarbonylContact C-O 3.57Å; S8-K37 VanDerWaalsContact CA-O 3.23Å; S8-K37 WeakPolarHBondContact CA-O 3.15Å; V9-K37 PolarHBondContact N-O 2.88Å |
| 38 | I | 86.1 | Confident | 82.4 | Confident | 29 Ų | 29 | 86.3 Ų | 86.3 | 15% | 0.149 | 41% | 0.41 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.3 | 129.7 | -179.8 | -53.6 | -175.9 | 0 | 0 | 0 | 110.5 | V9 F11 Q29 L32 R33 | V9-I38 WeakPolarHBondContact O-CA 3.23Å; F11-I38 HydrophobicContact CD2-CG2 3.62Å; F11-I38 HydrophobicContact CE2-CG2 3.76Å; Q29-I38 HydrophobicContact CB-CD1 3.8Å; Q29-I38 HydrophobicContact CG-CD1 3.79Å; Q29-I38 WeakPolarHBondContact O-CD1 3.31Å; L32-I38 HydrophobicContact CB-CD1 3.76Å; L32-I38 HydrophobicContact CB-CG1 4.41Å; R33-I38 HydrophobicContact CG-CD1 3.59Å; R33-I38 HydrophobicContact CG-CG1 3.93Å |
| 39 | Q | 86.3 | Confident | 82.1 | Confident | 87 Ų | 87 | 90 Ų | 90 | 41% | 0.407 | 43% | 0.426 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.5 | 152.5 | 172.7 | -69.7 | 176.5 | -33.2 | 0 | 0 | 110.1 | V9 V10 F11 | V9-Q39 PolarHBondContact O-N 3.32Å; V10-Q39 WeakPolarHBondContact CA-O 3.31Å; V10-Q39 HydrophobicContact CG2-CB 4.25Å; F11-Q39 PolarHBondContact N-O 3.23Å |
| 40 | S | 86.1 | Confident | 81.9 | Confident | 47 Ų | 47 | 89.6 Ų | 89.6 | 33% | 0.329 | 42% | 0.424 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.1 | 129.7 | 173.7 | -175.9 | 0 | 0 | 0 | 0 | 109 | F11 | F11-S40 WeakPolarHBondContact O-CA 3.47Å |
| 41 | M | 83.5 | Confident | 81.5 | Confident | 21 Ų | 21 | 86.2 Ų | 86.2 | 10% | 0.103 | 42% | 0.415 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.8 | 113 | -176.5 | -173.2 | 171.7 | -71.3 | 0 | 0 | 109.6 | V10 F11 A13 S14 K49 | V10-M41 HydrophobicContact CG1-CB 3.62Å; V10-M41 HydrophobicContact CG1-CE 4.06Å; V10-M41 HydrophobicContact CG1-SD 4.44Å; F11-M41 PolarHBondContact O-N 3.44Å; A13-M41 CarbonylContact C-O 3.59Å; A13-M41 WeakPolarHBondContact CA-O 3.47Å; A13-M41 WeakPolarHBondContact CB-O 3.42Å; A13-M41 PolarHBondContact N-O 2.85Å; S14-M41 PolarHBondContact N-O 3.01Å; M41-K49 HydrophobicContact CE-CB 3.63Å; M41-K49 HydrophobicContact CE-CD 4.43Å; M41-K49 HydrophobicContact SD-CB 4.49Å |
| 42 | K | 81 | Confident | 81.3 | Confident | 157 Ų | 157 | 82.9 Ų | 82.9 | 68% | 0.683 | 41% | 0.41 | S | S | * | . | trans | -100.6 | -14.7 | 178.2 | -65.9 | -177.6 | 178.9 | -178.6 | 0 | 113.5 | A13 | A13-K42 HydrophobicContact CB-CG 4.08Š| ||
| 43 | E | 77.8 | Confident | 81.4 | Confident | 126 Ų | 126 | 82.4 Ų | 82.4 | 59% | 0.589 | 41% | 0.408 | S | S | * | . | S | Bend | trans | -92.8 | 167.6 | -176.8 | -62 | 176 | -176.4 | 0 | 0 | 110.5 | S14 K49 | S14-E43 WeakPolarHBondContact CB-O 3.18Å; E43-K49 VanDerWaalsContact OE2-CE 3.31Å; E43-K49 WeakPolarHBondContact OE2-CE 3.13Å; E43-K49 IonicContact OE2-NZ 2.6Å; E43-K49 PolarHBondContact OE2-NZ 3.41Å |
| 44 | E | 75.4 | Confident | 81.6 | Confident | 154 Ų | 154 | 77 Ų | 77 | 72% | 0.72 | 39% | 0.388 | S | S | * | . | P | Polyproline II helix | trans | -58.1 | 145.9 | 177.4 | -67.5 | 179.4 | 174.2 | 0 | 0 | 112.1 | S46 K49 | E44-S46 PolarHBondContact O-N 3.37Å; E44-K49 PolarHBondContact O-NZ 3.3Å |
| 45 | L | 81.4 | Confident | 82 | Confident | 12 Ų | 12 | 72.9 Ų | 72.9 | 6% | 0.063 | 36% | 0.355 | C | S | . | . | P | Polyproline II helix | trans | -68 | 121.1 | -179.7 | -90 | 149.2 | 0 | 0 | 0 | 110.4 | L50 W56 F65 E69 L73 | L45-L50 HydrophobicContact CD2-CD1 3.92Å; L45-L50 HydrophobicContact CD2-CD2 4.26Å; L45-L50 HydrophobicContact CD2-CG 4.35Å; L45-W56 HydrophobicContact CD1-CZ2 3.94Å; L45-W56 HydrophobicContact CD2-CZ2 4.39Å; L45-F65 HydrophobicContact CD1-CD1 4.26Å; L45-F65 HydrophobicContact CD1-CE1 3.98Å; L45-E69 HydrophobicContact CB-CB 4.35Å; L45-E69 HydrophobicContact CB-CG 4.07Å; L45-E69 HydrophobicContact CD1-CB 4.43Å; L45-L73 HydrophobicContact CD2-CD2 4.11Å |
| 46 | S | 80.8 | Confident | 82.7 | Confident | 37 Ų | 37 | 65.2 Ų | 65.2 | 26% | 0.259 | 32% | 0.319 | S | S | . | . | trans | -136.3 | 150.4 | 171.4 | 70.5 | 0 | 0 | 0 | 0 | 110.9 | E44 E48 K49 L50 | E44-S46 PolarHBondContact O-N 3.37Å; S46-E48 PolarHBondContact O-N 3.15Å; S46-K49 PolarHBondContact O-N 3.43Å; S46-K49 VanDerWaalsContact O-N 3.17Å; S46-K49 WeakPolarHBondContact OG-CG 3.31Å; S46-L50 PolarHBondContact O-N 2.76Å | ||
| 47 | L | 78.1 | Confident | 83.2 | Confident | 77 Ų | 77 | 62.6 Ų | 62.6 | 40% | 0.403 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -57 | -37.9 | 179.6 | -74.8 | 152.5 | 0 | 0 | 0 | 112.3 | K49 L50 N51 V72 Q75 | L47-K49 VanDerWaalsContact C-N 3.3Å; L47-K49 PolarHBondContact O-N 3.28Å; L47-L50 PolarHBondContact O-N 3.23Å; L47-N51 PolarHBondContact O-N 3.37Å; L47-N51 VanDerWaalsContact O-N 3.15Å; L47-V72 HydrophobicContact CD1-CG2 4.3Å; L47-V72 HydrophobicContact CD2-CG1 4.22Å; L47-V72 HydrophobicContact CG-CB 4.45Å; L47-V72 HydrophobicContact CG-CG1 3.95Å; L47-V72 HydrophobicContact CG-CG2 4.12Å; L47-Q75 HydrophobicContact CD2-CB 4Å |
| 48 | E | 79.5 | Confident | 83.5 | Confident | 170 Ų | 170 | 56 Ų | 56 | 79% | 0.794 | 28% | 0.28 | S | S | * | . | H | α-helix | trans | -61.7 | -37.8 | -179.8 | -62.3 | -179 | 171.7 | 0 | 0 | 112.4 | S46 N51 | S46-E48 PolarHBondContact O-N 3.15Å; E48-N51 VanDerWaalsContact O-CB 3.29Å; E48-N51 WeakPolarHBondContact O-CB 3.43Å; E48-N51 PolarHBondContact O-N 2.93Å |
| 49 | K | 79.4 | Confident | 83.8 | Confident | 78 Ų | 78 | 54.7 Ų | 54.7 | 34% | 0.339 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -80 | -23.7 | 179.6 | -67.4 | -179.9 | -169.9 | 167.9 | 0 | 113.2 | M41 E43 E44 S46 L47 | M41-K49 HydrophobicContact CE-CB 3.63Å; M41-K49 HydrophobicContact CE-CD 4.43Å; M41-K49 HydrophobicContact SD-CB 4.49Å; E43-K49 VanDerWaalsContact OE2-CE 3.31Å; E43-K49 WeakPolarHBondContact OE2-CE 3.13Å; E43-K49 IonicContact OE2-NZ 2.6Å; E43-K49 PolarHBondContact OE2-NZ 3.41Å; E44-K49 PolarHBondContact O-NZ 3.3Å; S46-K49 PolarHBondContact O-N 3.43Å; S46-K49 VanDerWaalsContact O-N 3.17Å; S46-K49 WeakPolarHBondContact OG-CG 3.31Å; L47-K49 VanDerWaalsContact C-N 3.3Å; L47-K49 PolarHBondContact O-N 3.28Å |
| 50 | L | 80.4 | Confident | 84 | Confident | 3 Ų | 3 | 50.6 Ų | 50.6 | 2% | 0.016 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -80.3 | -8.1 | 172.4 | -69.9 | 170 | 0 | 0 | 0 | 111.8 | L45 S46 L47 G52 V53 W56 V72 Y76 | L45-L50 HydrophobicContact CD2-CD1 3.92Å; L45-L50 HydrophobicContact CD2-CD2 4.26Å; L45-L50 HydrophobicContact CD2-CG 4.35Å; S46-L50 PolarHBondContact O-N 2.76Å; L47-L50 PolarHBondContact O-N 3.23Å; L50-G52 PolarHBondContact O-N 3.01Å; L50-V53 WeakPolarHBondContact O-CB 3.49Å; L50-V53 PolarHBondContact O-N 3.18Å; L50-V53 VanDerWaalsContact O-N 3.15Å; L50-W56 HydrophobicContact CD2-CB 4.38Å; L50-W56 HydrophobicContact CD2-CG 4.33Å; L50-V72 HydrophobicContact CD1-CG1 3.69Å; L50-Y76 HydrophobicContact CB-CD2 3.78Å; L50-Y76 HydrophobicContact CB-CE2 4.01Å; L50-Y76 HydrophobicContact CD1-CD2 4.2Å; L50-Y76 HydrophobicContact CD1-CG 4.12Å; L50-Y76 HydrophobicContact CD2-CE2 4.43Å; L50-Y76 HydrophobicContact CG-CD2 4.4Å |
| 51 | N | 78.4 | Confident | 84.3 | Confident | 102 Ų | 102 | 48.3 Ų | 48.3 | 55% | 0.545 | 24% | 0.239 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -68 | 130.8 | 177.4 | -156.7 | 8.7 | 0 | 0 | 0 | 111.1 | L47 E48 V53 | L47-N51 PolarHBondContact O-N 3.37Å; L47-N51 VanDerWaalsContact O-N 3.15Å; E48-N51 VanDerWaalsContact O-CB 3.29Å; E48-N51 WeakPolarHBondContact O-CB 3.43Å; E48-N51 PolarHBondContact O-N 2.93Å; N51-V53 VanDerWaalsContact C-N 3.25Å; N51-V53 PolarHBondContact O-N 3.15Å |
| 52 | G | 78.3 | Confident | 84.6 | Confident | 26 Ų | 26 | 53.2 Ų | 53.2 | 27% | 0.268 | 26% | 0.256 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 77.9 | -1.9 | -173.2 | 0 | 0 | 0 | 0 | 0 | 115.8 | R6 S7 S8 L50 | R6-G52 WeakPolarHBondContact CA-O 3.46Å; S7-G52 PolarHBondContact N-O 3.27Å; S8-G52 PolarHBondContact OG-O 3.39Å; L50-G52 PolarHBondContact O-N 3.01Å |
| 53 | V | 85.9 | Confident | 85.1 | Confident | 1 Ų | 1 | 49.5 Ų | 49.5 | 1% | 0.006 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.7 | 130.9 | 174.3 | -177.1 | 0 | 0 | 0 | 0 | 109.6 | R6 S8 V10 L50 N51 L55 Y76 | R6-V53 WeakPolarHBondContact CD-O 3.05Å; S8-V53 WeakPolarHBondContact OG-CA 3.42Å; V10-V53 HydrophobicContact CB-CG1 3.95Å; V10-V53 HydrophobicContact CG2-CB 4.25Å; V10-V53 HydrophobicContact CG2-CG1 3.6Å; V10-V53 HydrophobicContact CG2-CG2 3.53Å; L50-V53 WeakPolarHBondContact O-CB 3.49Å; L50-V53 PolarHBondContact O-N 3.18Å; L50-V53 VanDerWaalsContact O-N 3.15Å; N51-V53 VanDerWaalsContact C-N 3.25Å; N51-V53 PolarHBondContact O-N 3.15Å; V53-L55 WeakPolarHBondContact CG1-O 3.37Å; V53-Y76 PolarHBondContact O-OH 3.41Å; V53-Y76 VanDerWaalsContact O-OH 3.12Å |
| 54 | K | 86.9 | Confident | 85.7 | Confident | 48 Ų | 48 | 48.8 Ų | 48.8 | 21% | 0.209 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84 | -50.5 | 175.5 | -178.4 | 91.7 | -176.2 | -169.7 | 0 | 110.1 | R6 S8 W36 Y76 D82 M240 | R6-K54 HydrophobicContact CB-CB 3.87Å; R6-K54 HydrophobicContact CB-CD 4.11Å; S8-K54 PolarHBondContact O-N 3.17Å; W36-K54 HydrophobicContact CH2-CD 4.24Å; W36-K54 HydrophobicContact CH2-CG 4.28Å; W36-K54 HydrophobicContact CZ3-CB 4.22Å; W36-K54 HydrophobicContact CZ3-CD 4.26Å; W36-K54 HydrophobicContact CZ3-CG 4.08Å; K54-Y76 VanDerWaalsContact C-OH 3.29Å; K54-Y76 PolarHBondContact O-OH 2.87Å; K54-D82 WeakPolarHBondContact CE-OD2 3.19Å; K54-D82 WeakPolarHBondContact O-CB 3.42Å; K54-D82 PolarHBondContact O-N 3.06Å; K54-M240 WeakPolarHBondContact CE-O 3.41Å; K54-M240 HydrophobicContact CG-CG 4.39Å; K54-M240 PolarHBondContact NZ-O 3.14Å; K54-M240 VanDerWaalsContact NZ-O 3.17Å |
| 55 | L | 90.3 | Very high | 86.5 | Confident | 0 Ų | 0 | 41.7 Ų | 41.7 | 0% | 0 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.4 | 126.3 | -173.4 | 175.5 | 62.5 | 0 | 0 | 0 | 110.8 | V9 V10 V53 I57 D82 L84 F236 L239 M240 | V9-L55 WeakPolarHBondContact CA-O 3.41Å; V9-L55 HydrophobicContact CG1-CB 4.33Å; V9-L55 HydrophobicContact CG1-CD2 4.24Å; V9-L55 HydrophobicContact CG1-CG 4.35Å; V9-L55 HydrophobicContact CG2-CB 4.3Å; V10-L55 PolarHBondContact N-O 2.64Å; V53-L55 WeakPolarHBondContact CG1-O 3.37Å; L55-I57 HydrophobicContact CD1-CG1 4.38Å; L55-I57 HydrophobicContact CD2-CD1 3.87Å; L55-I57 HydrophobicContact CD2-CG1 4Å; L55-I57 HydrophobicContact CG-CD1 4.2Å; L55-I57 HydrophobicContact CG-CG1 3.79Å; L55-D82 CarbonylContact C-O 2.83Å; L55-D82 WeakPolarHBondContact CA-O 3.42Å; L55-D82 HydrophobicContact CB-CB 4.39Å; L55-D82 HydrophobicContact CD1-CB 3.79Å; L55-L84 HydrophobicContact CD1-CB 4.07Å; L55-F236 HydrophobicContact CD2-CD1 3.72Å; L55-F236 HydrophobicContact CD2-CE1 3.51Å; L55-L239 HydrophobicContact CD1-CD1 3.9Å; L55-L239 HydrophobicContact CD1-CD2 4.49Å; L55-L239 HydrophobicContact CD2-CD1 4.25Å; L55-M240 HydrophobicContact CD2-CG 4.36Å; L55-M240 HydrophobicContact CD2-SD 4.21Å |
| 56 | W | 92.6 | Very high | 87 | Confident | 0 Ų | 0 | 44.8 Ų | 44.8 | 0% | 0 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.6 | 130.9 | 169.9 | 179.4 | 88.3 | 0 | 0 | 0 | 110.1 | N12 L45 L50 T58 F65 L73 Y76 D82 V83 L84 V85 | N12-W56 HydrophobicContact CB-CZ2 3.76Å; L45-W56 HydrophobicContact CD1-CZ2 3.94Å; L45-W56 HydrophobicContact CD2-CZ2 4.39Å; L50-W56 HydrophobicContact CD2-CB 4.38Å; L50-W56 HydrophobicContact CD2-CG 4.33Å; W56-T58 HydrophobicContact CH2-CG2 3.52Å; W56-T58 HydrophobicContact CZ2-CG2 4.43Å; W56-T58 HydrophobicContact CZ3-CG2 3.58Å; W56-F65 HydrophobicContact CH2-CE1 4.29Å; W56-F65 HydrophobicContact CH2-CZ 4.36Å; W56-F65 HydrophobicContact CZ2-CE1 4.43Å; W56-L73 HydrophobicContact CD2-CD2 4.07Å; W56-L73 HydrophobicContact CE3-CD2 4.02Å; W56-L73 HydrophobicContact CH2-CD1 4.02Å; W56-L73 HydrophobicContact CH2-CD2 4.23Å; W56-L73 HydrophobicContact CZ2-CD2 4.35Å; W56-L73 HydrophobicContact CZ3-CD1 4.26Å; W56-L73 HydrophobicContact CZ3-CD2 4.08Å; W56-Y76 HydrophobicContact CB-CE1 4.16Å; W56-D82 PolarHBondContact N-O 3.09Å; W56-V83 HydrophobicContact CE3-CG1 3.83Å; W56-V83 HydrophobicContact CZ3-CG1 4.03Å; W56-V83 WeakPolarHBondContact O-CA 3.45Å; W56-L84 PolarHBondContact O-N 3Å; W56-V85 HydrophobicContact CZ3-CG2 4.45Å |
| 57 | I | 92.9 | Very high | 87.4 | Confident | 1 Ų | 1 | 46.9 Ų | 46.9 | 1% | 0.005 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.8 | 128.1 | -174.9 | -51.6 | 179.5 | 0 | 0 | 0 | 109.6 | V9 V10 F11 N12 L55 L84 M86 F236 | V9-I57 HydrophobicContact CG1-CD1 3.59Å; V9-I57 HydrophobicContact CG1-CG1 4.19Å; V10-I57 PolarHBondContact O-N 2.6Å; F11-I57 HydrophobicContact CD1-CB 4.2Å; F11-I57 HydrophobicContact CD1-CD1 4.46Å; F11-I57 HydrophobicContact CD1-CG2 4.15Å; F11-I57 HydrophobicContact CE1-CB 4.36Å; F11-I57 HydrophobicContact CE1-CD1 3.92Å; F11-I57 HydrophobicContact CE1-CG2 4.08Å; F11-I57 HydrophobicContact CE2-CD1 4.05Å; F11-I57 HydrophobicContact CZ-CD1 3.7Å; N12-I57 WeakPolarHBondContact CB-O 3.36Å; N12-I57 PolarHBondContact N-O 3.36Å; L55-I57 HydrophobicContact CD1-CG1 4.38Å; L55-I57 HydrophobicContact CD2-CD1 3.87Å; L55-I57 HydrophobicContact CD2-CG1 4Å; L55-I57 HydrophobicContact CG-CD1 4.2Å; L55-I57 HydrophobicContact CG-CG1 3.79Å; I57-L84 WeakPolarHBondContact CA-O 3.37Å; I57-L84 HydrophobicContact CD1-CD2 4.39Å; I57-L84 HydrophobicContact CG1-CB 4.21Å; I57-L84 HydrophobicContact CG1-CD2 4.38Å; I57-L84 HydrophobicContact CG2-CB 4.4Å; I57-L84 HydrophobicContact CG2-CD2 4.08Å; I57-L84 HydrophobicContact CG2-CG 4.32Å; I57-M86 HydrophobicContact CG2-CE 3.64Å; I57-F236 HydrophobicContact CD1-CE1 3.86Å; I57-F236 HydrophobicContact CD1-CZ 4.04Å |
| 58 | T | 92.1 | Very high | 87.9 | Confident | 0 Ų | 0 | 46.3 Ų | 46.3 | 0% | 0 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.8 | 133.4 | 166.4 | -174 | 0 | 0 | 0 | 0 | 110.4 | E17 W56 L84 V85 M86 | E17-T58 PolarHBondContact OE1-OG1 2.97Å; W56-T58 HydrophobicContact CH2-CG2 3.52Å; W56-T58 HydrophobicContact CZ2-CG2 4.43Å; W56-T58 HydrophobicContact CZ3-CG2 3.58Å; T58-L84 PolarHBondContact N-O 2.78Å; T58-V85 HydrophobicContact CG2-CB 4.2Å; T58-V85 HydrophobicContact CG2-CG1 3.93Å; T58-V85 HydrophobicContact CG2-CG2 4.04Å; T58-M86 PolarHBondContact O-N 2.75Å |
| 59 | A | 92.4 | Very high | 88.4 | Confident | 2 Ų | 2 | 38.7 Ų | 38.7 | 2% | 0.017 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.9 | 91.8 | -172.2 | 0 | 0 | 0 | 0 | 0 | 111.7 | E17 L18 F19 Y25 M86 | E17-A59 WeakPolarHBondContact CB-O 3.44Å; L18-A59 PolarHBondContact N-O 3.22Å; F19-A59 HydrophobicContact CB-CB 4.01Å; F19-A59 PolarHBondContact N-O 3.32Å; Y25-A59 HydrophobicContact CE2-CB 3.5Å; Y25-A59 VanDerWaalsContact CE2-CB 3.5Å; A59-M86 HydrophobicContact CB-CE 3.78Å |
| 60 | G | 90.3 | Very high | 88.9 | Confident | 0 Ų | 0 | 35.7 Ų | 35.7 | 0% | 0 | 20% | 0.201 | C | C | . | . | S | Bend | trans | 64 | 62.2 | -176.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | E17 L18 M86 | E17-G60 WeakPolarHBondContact CA-O 3.23Å; L18-G60 PolarHBondContact N-O 3.34Å; G60-M86 PolarHBondContact N-O 3Å |
| 61 | P | 92.5 | Very high | 89.4 | Confident | 0 Ų | 0 | 41 Ų | 41 | 0% | 0 | 23% | 0.226 | C | C | . | . | trans | -59.7 | 136.5 | 174.4 | 27.1 | -33.3 | 0 | 0 | 0 | 109.8 | K15 F65 T97 | K15-P61 HydrophobicContact CB-CB 4.04Å; P61-F65 HydrophobicContact CB-CE2 3.82Å; P61-F65 HydrophobicContact CB-CZ 4.03Å; P61-F65 HydrophobicContact CG-CE2 4.01Å; P61-F65 HydrophobicContact CG-CZ 4.4Å; P61-T97 HydrophobicContact CG-CG2 4.36Å | ||
| 62 | R | 91.1 | Very high | 90 | Very high | 123 Ų | 123 | 37.2 Ų | 37.2 | 46% | 0.464 | 21% | 0.206 | S | C | . | . | trans | -116.3 | 17.9 | -176.6 | -66.7 | 179.8 | 172.4 | -176.3 | -5.7 | 113.7 | K15 R16 Y95 | K15-R62 PolarHBondContact O-N 2.97Å; R16-R62 HydrophobicContact CB-CB 4.41Å; R16-R62 WeakPolarHBondContact O-CB 3.35Å; R62-Y95 CarbonylContact C-O 3.55Å; R62-Y95 WeakPolarHBondContact CA-O 3.45Å; R62-Y95 HydrophobicContact CG-CD1 3.82Å; R62-Y95 HydrophobicContact CG-CE1 4.47Å | ||
| 63 | E | 91 | Very high | 90.5 | Very high | 80 Ų | 80 | 36.1 Ų | 36.1 | 37% | 0.374 | 19% | 0.194 | S | C | . | . | S | Bend | trans | -142.4 | 156.5 | -178.3 | -168 | 166.2 | 178.6 | 0 | 0 | 108.7 | K15 R16 T97 | K15-E63 HydrophobicContact CB-CB 4.06Å; K15-E63 HydrophobicContact CD-CB 4.07Å; K15-E63 HydrophobicContact CD-CG 4.31Å; K15-E63 PolarHBondContact O-N 3.39Å; R16-E63 IonicContact NE-OE2 3.34Å; E63-T97 PolarHBondContact O-OG1 2.87Å |
| 64 | K | 91.1 | Very high | 90.7 | Very high | 110 Ų | 110 | 38.6 Ų | 38.6 | 48% | 0.478 | 20% | 0.204 | S | C | . | . | P | Polyproline II helix | trans | -79.5 | 138.5 | -177.5 | -62.7 | 178 | -175.9 | 168.2 | 0 | 110.2 | K15 D96 N98 | K15-K64 PolarHBondContact NZ-O 3.44Å; K64-D96 WeakPolarHBondContact CE-OD1 3.46Å; K64-D96 IonicContact NZ-OD1 3.81Å; K64-D96 PolarHBondContact NZ-OD1 3.26Å; K64-N98 WeakPolarHBondContact CA-OD1 3.31Å; K64-N98 HydrophobicContact CG-CB 4.32Å |
| 65 | F | 91.2 | Very high | 90.8 | Very high | 5 Ų | 5 | 40.7 Ų | 40.7 | 2% | 0.022 | 22% | 0.215 | C | C | . | . | P | Polyproline II helix | trans | -80.4 | 139.7 | 167.5 | -64.9 | -93 | 0 | 0 | 0 | 109.6 | K15 L45 W56 P61 E69 L70 N98 I99 | K15-F65 HydrophobicContact CB-CZ 4.34Å; K15-F65 HydrophobicContact CD-CE1 4.48Å; K15-F65 HydrophobicContact CG-CD1 4.2Å; K15-F65 HydrophobicContact CG-CE1 3.7Å; K15-F65 HydrophobicContact CG-CE2 4.25Å; K15-F65 HydrophobicContact CG-CZ 3.73Å; L45-F65 HydrophobicContact CD1-CD1 4.26Å; L45-F65 HydrophobicContact CD1-CE1 3.98Å; W56-F65 HydrophobicContact CH2-CE1 4.29Å; W56-F65 HydrophobicContact CH2-CZ 4.36Å; W56-F65 HydrophobicContact CZ2-CE1 4.43Å; P61-F65 HydrophobicContact CB-CE2 3.82Å; P61-F65 HydrophobicContact CB-CZ 4.03Å; P61-F65 HydrophobicContact CG-CE2 4.01Å; P61-F65 HydrophobicContact CG-CZ 4.4Å; F65-E69 WeakPolarHBondContact CA-OE2 3.46Å; F65-E69 HydrophobicContact CD1-CB 4.41Å; F65-L70 HydrophobicContact CB-CD2 3.54Å; F65-L70 HydrophobicContact CB-CG 3.93Å; F65-L70 HydrophobicContact CD1-CD2 4.47Å; F65-L70 HydrophobicContact CG-CD2 4Å; F65-N98 PolarHBondContact N-OD1 2.62Å; F65-N98 PolarHBondContact O-ND2 2.85Å; F65-N98 PolarHBondContact O-OD1 2.99Å; F65-I99 HydrophobicContact CD2-CD1 4.1Å; F65-I99 HydrophobicContact CE2-CB 4.42Å; F65-I99 HydrophobicContact CE2-CD1 3.89Å; F65-I99 HydrophobicContact CZ-CD1 4.32Å |
| 66 | T | 91.3 | Very high | 90.7 | Very high | 77 Ų | 77 | 41.3 Ų | 41.3 | 47% | 0.472 | 22% | 0.217 | S | C | . | . | P | Polyproline II helix | trans | -78.5 | 156.6 | 171.2 | 62.6 | 0 | 0 | 0 | 0 | 109.9 | A68 E69 L70 | T66-A68 PolarHBondContact O-N 3.12Å; T66-E69 PolarHBondContact N-OE2 3.24Å; T66-E69 PolarHBondContact O-N 3.34Å; T66-E69 VanDerWaalsContact O-N 3.09Å; T66-E69 VanDerWaalsContact OG1-CG 3.23Å; T66-E69 WeakPolarHBondContact OG1-CG 3.42Å; T66-E69 PolarHBondContact OG1-N 2.95Å; T66-E69 PolarHBondContact OG1-OE2 3.17Å; T66-L70 PolarHBondContact O-N 3.3Å; T66-L70 VanDerWaalsContact O-N 3.11Å |
| 67 | A | 89.5 | Confident | 90.6 | Very high | 81 Ų | 81 | 41.4 Ų | 41.4 | 67% | 0.669 | 22% | 0.218 | S | C | * | . | H | α-helix | trans | -56.9 | -36.3 | 178.4 | 0 | 0 | 0 | 0 | 0 | 112.5 | L70 E71 | A67-L70 PolarHBondContact O-N 3.27Å; A67-E71 WeakPolarHBondContact O-CB 3.23Å; A67-E71 PolarHBondContact O-N 3.08Å |
| 68 | A | 89.9 | Confident | 90.3 | Very high | 66 Ų | 66 | 46.2 Ų | 46.2 | 55% | 0.545 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -63.7 | -42.1 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | T66 E71 V72 | T66-A68 PolarHBondContact O-N 3.12Å; A68-E71 PolarHBondContact O-N 2.91Å; A68-V72 VanDerWaalsContact O-CG2 3.31Å; A68-V72 WeakPolarHBondContact O-CG2 3.22Å; A68-V72 PolarHBondContact O-N 3.15Å |
| 69 | E | 89.6 | Confident | 89.9 | Confident | 9 Ų | 9 | 48.1 Ų | 48.1 | 4% | 0.042 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -65.7 | -39.5 | 176.9 | -68.1 | 169.6 | 128 | 0 | 0 | 111.7 | K15 L45 F65 T66 E71 V72 L73 | K15-E69 WeakPolarHBondContact CE-OE1 3.34Å; K15-E69 VanDerWaalsContact CE-OE2 3.3Å; K15-E69 WeakPolarHBondContact CE-OE2 3.42Å; K15-E69 VanDerWaalsContact NZ-CD 3.28Å; K15-E69 IonicContact NZ-OE1 2.9Å; K15-E69 PolarHBondContact NZ-OE1 2.9Å; K15-E69 IonicContact NZ-OE2 3.47Å; K15-E69 PolarHBondContact NZ-OE2 3.28Å; L45-E69 HydrophobicContact CB-CB 4.35Å; L45-E69 HydrophobicContact CB-CG 4.07Å; L45-E69 HydrophobicContact CD1-CB 4.43Å; F65-E69 WeakPolarHBondContact CA-OE2 3.46Å; F65-E69 HydrophobicContact CD1-CB 4.41Å; T66-E69 PolarHBondContact N-OE2 3.24Å; T66-E69 PolarHBondContact O-N 3.34Å; T66-E69 VanDerWaalsContact O-N 3.09Å; T66-E69 VanDerWaalsContact OG1-CG 3.23Å; T66-E69 WeakPolarHBondContact OG1-CG 3.42Å; T66-E69 PolarHBondContact OG1-N 2.95Å; T66-E69 PolarHBondContact OG1-OE2 3.17Å; E69-E71 VanDerWaalsContact C-N 3.35Å; E69-V72 PolarHBondContact O-N 2.86Å; E69-L73 WeakPolarHBondContact O-CG 3.34Å; E69-L73 PolarHBondContact O-N 3.43Å |
| 70 | L | 90.2 | Very high | 89.6 | Confident | 16 Ų | 16 | 49.1 Ų | 49.1 | 8% | 0.084 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -65.1 | -40 | 176.1 | -63.1 | -174.9 | 0 | 0 | 0 | 111.4 | F65 T66 A67 L73 K74 F101 L102 | F65-L70 HydrophobicContact CB-CD2 3.54Å; F65-L70 HydrophobicContact CB-CG 3.93Å; F65-L70 HydrophobicContact CD1-CD2 4.47Å; F65-L70 HydrophobicContact CG-CD2 4Å; T66-L70 PolarHBondContact O-N 3.3Å; T66-L70 VanDerWaalsContact O-N 3.11Å; A67-L70 PolarHBondContact O-N 3.27Å; L70-L73 PolarHBondContact O-N 2.77Å; L70-K74 WeakPolarHBondContact O-CG 3.46Å; L70-K74 PolarHBondContact O-N 2.7Å; L70-K74 VanDerWaalsContact O-N 3.08Å; L70-F101 HydrophobicContact CD1-CB 4.2Å; L70-L102 HydrophobicContact CD2-CB 3.96Å; L70-L102 HydrophobicContact CD2-CD2 4.26Å |
| 71 | E | 90.1 | Very high | 89.5 | Confident | 115 Ų | 115 | 49.1 Ų | 49.1 | 54% | 0.537 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -66.1 | -39.1 | 176.3 | -169.2 | 167.8 | -171.7 | 0 | 0 | 112.2 | A67 A68 E69 L73 K74 Q75 | A67-E71 WeakPolarHBondContact O-CB 3.23Å; A67-E71 PolarHBondContact O-N 3.08Å; A68-E71 PolarHBondContact O-N 2.91Å; E69-E71 VanDerWaalsContact C-N 3.35Å; E71-L73 VanDerWaalsContact C-N 3.32Å; E71-L73 PolarHBondContact O-N 3.02Å; E71-K74 PolarHBondContact O-N 3.12Å; E71-Q75 WeakPolarHBondContact O-CG 3.43Å; E71-Q75 PolarHBondContact O-N 2.87Å |
| 72 | V | 90.7 | Very high | 89.5 | Confident | 22 Ų | 22 | 49.4 Ų | 49.4 | 13% | 0.133 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -59.1 | -42.6 | 172 | 164.8 | 0 | 0 | 0 | 0 | 111.4 | L47 L50 A68 E69 Q75 Y76 | L47-V72 HydrophobicContact CD1-CG2 4.3Å; L47-V72 HydrophobicContact CD2-CG1 4.22Å; L47-V72 HydrophobicContact CG-CB 4.45Å; L47-V72 HydrophobicContact CG-CG1 3.95Å; L47-V72 HydrophobicContact CG-CG2 4.12Å; L50-V72 HydrophobicContact CD1-CG1 3.69Å; A68-V72 VanDerWaalsContact O-CG2 3.31Å; A68-V72 WeakPolarHBondContact O-CG2 3.22Å; A68-V72 PolarHBondContact O-N 3.15Å; E69-V72 PolarHBondContact O-N 2.86Å; V72-Q75 PolarHBondContact O-N 3.21Å; V72-Y76 VanDerWaalsContact O-CB 3.31Å; V72-Y76 WeakPolarHBondContact O-CB 3.15Å; V72-Y76 PolarHBondContact O-N 3.06Å |
| 73 | L | 89.6 | Confident | 89.6 | Confident | 3 Ų | 3 | 43.7 Ų | 43.7 | 2% | 0.016 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -65.9 | -37.2 | 178.1 | -72.7 | 171.6 | 0 | 0 | 0 | 112.4 | L45 W56 E69 L70 E71 Y76 L77 L102 | L45-L73 HydrophobicContact CD2-CD2 4.11Å; W56-L73 HydrophobicContact CD2-CD2 4.07Å; W56-L73 HydrophobicContact CE3-CD2 4.02Å; W56-L73 HydrophobicContact CH2-CD1 4.02Å; W56-L73 HydrophobicContact CH2-CD2 4.23Å; W56-L73 HydrophobicContact CZ2-CD2 4.35Å; W56-L73 HydrophobicContact CZ3-CD1 4.26Å; W56-L73 HydrophobicContact CZ3-CD2 4.08Å; E69-L73 WeakPolarHBondContact O-CG 3.34Å; E69-L73 PolarHBondContact O-N 3.43Å; L70-L73 PolarHBondContact O-N 2.77Å; E71-L73 VanDerWaalsContact C-N 3.32Å; E71-L73 PolarHBondContact O-N 3.02Å; L73-Y76 PolarHBondContact O-N 3.16Å; L73-L77 WeakPolarHBondContact O-CB 3.15Å; L73-L77 PolarHBondContact O-N 3.17Å; L73-L102 HydrophobicContact CB-CD2 4.06Å; L73-L102 HydrophobicContact CD1-CD2 3.81Å |
| 74 | K | 89.1 | Confident | 89.8 | Confident | 52 Ų | 52 | 39.9 Ų | 39.9 | 23% | 0.226 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -63.9 | -49.7 | 174.2 | -66.6 | 174.8 | -165.6 | -177.9 | 0 | 111.4 | L70 E71 Y76 L77 D78 L102 E105 F106 | L70-K74 WeakPolarHBondContact O-CG 3.46Å; L70-K74 PolarHBondContact O-N 2.7Å; L70-K74 VanDerWaalsContact O-N 3.08Å; E71-K74 PolarHBondContact O-N 3.12Å; K74-Y76 PolarHBondContact O-N 3.17Å; K74-L77 PolarHBondContact O-N 3.42Å; K74-L77 VanDerWaalsContact O-N 3.12Å; K74-D78 PolarHBondContact O-N 3.2Å; K74-L102 HydrophobicContact CD-CD1 4.27Å; K74-L102 HydrophobicContact CG-CD1 3.56Å; K74-E105 WeakPolarHBondContact CE-OE2 3.48Å; K74-E105 IonicContact NZ-OE1 2.82Å; K74-E105 PolarHBondContact NZ-OE1 2.9Å; K74-E105 IonicContact NZ-OE2 3.58Å; K74-E105 PolarHBondContact NZ-OE2 3.41Å; K74-F106 HydrophobicContact CG-CZ 4.25Å |
| 75 | Q | 89.2 | Confident | 90 | Very high | 93 Ų | 93 | 34.7 Ų | 34.7 | 44% | 0.435 | 21% | 0.214 | S | C | . | . | H | α-helix | trans | -60.6 | -35.6 | 176.9 | -69.4 | -179.5 | 15.3 | 0 | 0 | 112 | L47 E71 V72 G79 | L47-Q75 HydrophobicContact CD2-CB 4Å; E71-Q75 WeakPolarHBondContact O-CG 3.43Å; E71-Q75 PolarHBondContact O-N 2.87Å; V72-Q75 PolarHBondContact O-N 3.21Å; Q75-G79 PolarHBondContact O-N 3.21Å |
| 76 | Y | 89.4 | Confident | 90.1 | Very high | 12 Ų | 12 | 34.5 Ų | 34.5 | 5% | 0.047 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -66 | -43.4 | 174.4 | 174.3 | -104.6 | 0 | 0 | 0 | 112.3 | L50 V53 K54 W56 V72 L73 K74 G79 G80 G81 D82 V83 | L50-Y76 HydrophobicContact CB-CD2 3.78Å; L50-Y76 HydrophobicContact CB-CE2 4.01Å; L50-Y76 HydrophobicContact CD1-CD2 4.2Å; L50-Y76 HydrophobicContact CD1-CG 4.12Å; L50-Y76 HydrophobicContact CD2-CE2 4.43Å; L50-Y76 HydrophobicContact CG-CD2 4.4Å; V53-Y76 PolarHBondContact O-OH 3.41Å; V53-Y76 VanDerWaalsContact O-OH 3.12Å; K54-Y76 VanDerWaalsContact C-OH 3.29Å; K54-Y76 PolarHBondContact O-OH 2.87Å; W56-Y76 HydrophobicContact CB-CE1 4.16Å; V72-Y76 VanDerWaalsContact O-CB 3.31Å; V72-Y76 WeakPolarHBondContact O-CB 3.15Å; V72-Y76 PolarHBondContact O-N 3.06Å; L73-Y76 PolarHBondContact O-N 3.16Å; K74-Y76 PolarHBondContact O-N 3.17Å; Y76-G79 CarbonylContact O-C 3.57Å; Y76-G79 PolarHBondContact O-N 2.96Å; Y76-G80 PolarHBondContact O-N 3.03Å; Y76-G81 VanDerWaalsContact CZ-CA 3.45Å; Y76-G81 WeakPolarHBondContact O-CA 3.3Å; Y76-G81 PolarHBondContact O-N 3.11Å; Y76-D82 WeakPolarHBondContact CE1-O 3.42Å; Y76-V83 HydrophobicContact CD1-CG2 3.86Å; Y76-V83 HydrophobicContact CE1-CG2 3.9Å |
| 77 | L | 89 | Confident | 90.3 | Very high | 3 Ų | 3 | 30.8 Ų | 30.8 | 2% | 0.016 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -65.1 | -45.1 | 176.5 | -167.9 | 73.7 | 0 | 0 | 0 | 111.3 | L73 K74 G79 G80 G81 V83 F106 Y201 V203 G207 L209 | L73-L77 WeakPolarHBondContact O-CB 3.15Å; L73-L77 PolarHBondContact O-N 3.17Å; K74-L77 PolarHBondContact O-N 3.42Å; K74-L77 VanDerWaalsContact O-N 3.12Å; L77-G79 VanDerWaalsContact C-N 3.25Å; L77-G79 PolarHBondContact O-N 2.98Å; L77-G80 PolarHBondContact O-N 2.96Å; L77-G81 WeakPolarHBondContact CD1-O 3.34Å; L77-V83 HydrophobicContact CD1-CB 4.38Å; L77-V83 HydrophobicContact CD1-CG2 4.1Å; L77-F106 HydrophobicContact CD2-CD1 4.25Å; L77-F106 HydrophobicContact CD2-CE1 3.59Å; L77-F106 HydrophobicContact CD2-CE2 3.98Å; L77-F106 HydrophobicContact CD2-CZ 3.43Å; L77-F106 VanDerWaalsContact CD2-CZ 3.43Å; L77-Y201 HydrophobicContact CD2-CD1 4.18Å; L77-Y201 HydrophobicContact CD2-CE1 3.96Å; L77-V203 HydrophobicContact CD2-CG2 3.78Å; L77-V203 HydrophobicContact CG-CG2 3.87Å; L77-G207 VanDerWaalsContact O-CA 3.31Å; L77-G207 WeakPolarHBondContact O-CA 3.23Å; L77-L209 HydrophobicContact CD1-CB 4.06Å; L77-L209 HydrophobicContact CD2-CB 4.32Å |
| 78 | D | 87.8 | Confident | 90.4 | Very high | 101 Ų | 101 | 27 Ų | 27 | 54% | 0.54 | 16% | 0.159 | S | C | . | . | H | α-helix | trans | -63.9 | -32.9 | 175.4 | -70.4 | -23.8 | 0 | 0 | 0 | 111.9 | K74 G80 | K74-D78 PolarHBondContact O-N 3.2Å; D78-G80 PolarHBondContact O-N 3.27Å |
| 79 | G | 83.6 | Confident | 90.6 | Very high | 41 Ų | 41 | 24.9 Ų | 24.9 | 42% | 0.423 | 14% | 0.138 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -73.5 | 9.1 | 172.3 | 0 | 0 | 0 | 0 | 0 | 114.7 | R6 Q75 Y76 L77 | R6-G79 PolarHBondContact NH1-O 3.33Å; R6-G79 PolarHBondContact NH2-O 2.97Å; Q75-G79 PolarHBondContact O-N 3.21Å; Y76-G79 CarbonylContact O-C 3.57Å; Y76-G79 PolarHBondContact O-N 2.96Å; L77-G79 VanDerWaalsContact C-N 3.25Å; L77-G79 PolarHBondContact O-N 2.98Å |
| 80 | G | 85.7 | Confident | 90.6 | Very high | 22 Ų | 22 | 25.3 Ų | 25.3 | 23% | 0.227 | 14% | 0.144 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 79.8 | 18.7 | 177.5 | 0 | 0 | 0 | 0 | 0 | 114.8 | R6 Y76 L77 D78 | R6-G80 PolarHBondContact NH1-O 3.14Å; Y76-G80 PolarHBondContact O-N 3.03Å; L77-G80 PolarHBondContact O-N 2.96Å; D78-G80 PolarHBondContact O-N 3.27Å |
| 81 | G | 88.1 | Confident | 90.6 | Very high | 0 Ų | 0 | 24.5 Ų | 24.5 | 0% | 0 | 14% | 0.14 | C | C | . | . | trans | -79.5 | 147.7 | 172.9 | 0 | 0 | 0 | 0 | 0 | 111 | R6 Y76 L77 | R6-G81 VanDerWaalsContact NH1-N 3.14Å; Y76-G81 VanDerWaalsContact CZ-CA 3.45Å; Y76-G81 WeakPolarHBondContact O-CA 3.3Å; Y76-G81 PolarHBondContact O-N 3.11Å; L77-G81 WeakPolarHBondContact CD1-O 3.34Å | ||
| 82 | D | 92.3 | Very high | 90.6 | Very high | 6 Ų | 6 | 20.8 Ų | 20.8 | 3% | 0.032 | 12% | 0.123 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.5 | 141.6 | 178 | -55 | -48.9 | 0 | 0 | 0 | 110.7 | K54 L55 W56 Y76 K208 L239 | K54-D82 WeakPolarHBondContact CE-OD2 3.19Å; K54-D82 WeakPolarHBondContact O-CB 3.42Å; K54-D82 PolarHBondContact O-N 3.06Å; L55-D82 CarbonylContact C-O 2.83Å; L55-D82 WeakPolarHBondContact CA-O 3.42Å; L55-D82 HydrophobicContact CB-CB 4.39Å; L55-D82 HydrophobicContact CD1-CB 3.79Å; W56-D82 PolarHBondContact N-O 3.09Å; Y76-D82 WeakPolarHBondContact CE1-O 3.42Å; D82-K208 CarbonylContact C-O 3.46Å; D82-K208 VanDerWaalsContact CA-O 3.29Å; D82-K208 WeakPolarHBondContact CA-O 3.1Å; D82-K208 WeakPolarHBondContact OD1-CB 3.45Å; D82-K208 PolarHBondContact OD1-N 2.99Å; D82-L239 HydrophobicContact CB-CB 4.46Å; D82-L239 HydrophobicContact CB-CD2 4.23Å; D82-L239 VanDerWaalsContact OD2-O 3.06Å |
| 83 | V | 93.6 | Very high | 90.5 | Very high | 4 Ų | 4 | 27.2 Ų | 27.2 | 2% | 0.024 | 15% | 0.154 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.4 | 127.9 | -175.6 | 174.8 | 0 | 0 | 0 | 0 | 109.5 | W56 Y76 L77 V85 K208 L209 A210 | W56-V83 HydrophobicContact CE3-CG1 3.83Å; W56-V83 HydrophobicContact CZ3-CG1 4.03Å; W56-V83 WeakPolarHBondContact O-CA 3.45Å; Y76-V83 HydrophobicContact CD1-CG2 3.86Å; Y76-V83 HydrophobicContact CE1-CG2 3.9Å; L77-V83 HydrophobicContact CD1-CB 4.38Å; L77-V83 HydrophobicContact CD1-CG2 4.1Å; V83-V85 HydrophobicContact CG1-CG2 3.86Å; V83-K208 PolarHBondContact N-O 3.31Å; V83-L209 HydrophobicContact CB-CD1 3.72Å; V83-L209 HydrophobicContact CG1-CD1 3.43Å; V83-L209 VanDerWaalsContact CG1-CD1 3.43Å; V83-L209 CarbonylContact O-C 3.45Å; V83-L209 WeakPolarHBondContact O-CA 3.45Å; V83-A210 PolarHBondContact O-N 3.27Å |
| 84 | L | 94.5 | Very high | 90.5 | Very high | 0 Ų | 0 | 33.2 Ų | 33.2 | 0% | 0 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.8 | 114.2 | 171.3 | 176.3 | 64 | 0 | 0 | 0 | 109.8 | L55 W56 I57 T58 M86 A210 V235 F236 L239 | L55-L84 HydrophobicContact CD1-CB 4.07Å; W56-L84 PolarHBondContact O-N 3Å; I57-L84 WeakPolarHBondContact CA-O 3.37Å; I57-L84 HydrophobicContact CD1-CD2 4.39Å; I57-L84 HydrophobicContact CG1-CB 4.21Å; I57-L84 HydrophobicContact CG1-CD2 4.38Å; I57-L84 HydrophobicContact CG2-CB 4.4Å; I57-L84 HydrophobicContact CG2-CD2 4.08Å; I57-L84 HydrophobicContact CG2-CG 4.32Å; T58-L84 PolarHBondContact N-O 2.78Å; L84-M86 HydrophobicContact CD1-CG 4.24Å; L84-M86 HydrophobicContact CD2-CE 4.25Å; L84-M86 HydrophobicContact CD2-CG 4.5Å; L84-M86 HydrophobicContact CD2-SD 4.29Å; L84-M86 HydrophobicContact CG-CG 4.11Å; L84-A210 WeakPolarHBondContact CA-O 3.49Å; L84-A210 HydrophobicContact CD1-CB 3.75Å; L84-V235 HydrophobicContact CD1-CG1 4.35Å; L84-F236 HydrophobicContact CD2-CZ 4.07Å; L84-L239 HydrophobicContact CB-CD1 4.09Å; L84-L239 HydrophobicContact CD1-CD1 4.43Å |
| 85 | V | 95.1 | Very high | 90.5 | Very high | 0 Ų | 0 | 31.6 Ų | 31.6 | 0% | 0 | 17% | 0.172 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.6 | 122.9 | 176.1 | -177.3 | 0 | 0 | 0 | 0 | 109 | W56 T58 V83 L87 I99 L103 L209 A210 V211 M212 | W56-V85 HydrophobicContact CZ3-CG2 4.45Å; T58-V85 HydrophobicContact CG2-CB 4.2Å; T58-V85 HydrophobicContact CG2-CG1 3.93Å; T58-V85 HydrophobicContact CG2-CG2 4.04Å; V83-V85 HydrophobicContact CG1-CG2 3.86Å; V85-L87 HydrophobicContact CG1-CD1 3.63Å; V85-I99 HydrophobicContact CG1-CG1 3.95Å; V85-L103 HydrophobicContact CG1-CD1 4.33Å; V85-L103 HydrophobicContact CG2-CD2 4.2Å; V85-L209 HydrophobicContact CG2-CD1 4.26Å; V85-A210 PolarHBondContact N-O 3.47Å; V85-V211 HydrophobicContact CB-CG2 4.48Å; V85-V211 CarbonylContact O-C 3.19Å; V85-V211 WeakPolarHBondContact O-CA 3.47Å; V85-M212 PolarHBondContact O-N 2.95Å |
| 86 | M | 94.8 | Very high | 90.6 | Very high | 1 Ų | 1 | 31.8 Ų | 31.8 | 1% | 0.005 | 18% | 0.176 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120 | 127.7 | 174.1 | -55.5 | -177.5 | -81.1 | 0 | 0 | 109.7 | Y25 I57 T58 A59 G60 L84 M212 C215 F218 | Y25-M86 HydrophobicContact CE2-CE 3.97Å; Y25-M86 WeakPolarHBondContact OH-CE 3.29Å; I57-M86 HydrophobicContact CG2-CE 3.64Å; T58-M86 PolarHBondContact O-N 2.75Å; A59-M86 HydrophobicContact CB-CE 3.78Å; G60-M86 PolarHBondContact N-O 3Å; L84-M86 HydrophobicContact CD1-CG 4.24Å; L84-M86 HydrophobicContact CD2-CE 4.25Å; L84-M86 HydrophobicContact CD2-CG 4.5Å; L84-M86 HydrophobicContact CD2-SD 4.29Å; L84-M86 HydrophobicContact CG-CG 4.11Å; M86-M212 WeakPolarHBondContact CA-O 3.08Å; M86-M212 HydrophobicContact CG-CB 4.07Å; M86-C215 HydrophobicContact CB-CB 4.01Å; M86-F218 HydrophobicContact SD-CD2 3.72Å; M86-F218 HydrophobicContact SD-CE2 4.27Å |
| 87 | L | 94.1 | Very high | 90.7 | Very high | 0 Ų | 0 | 31.4 Ų | 31.4 | 0% | 0 | 18% | 0.175 | C | C | . | . | trans | -116.1 | -176.8 | 170.6 | -76.8 | 111.2 | 0 | 0 | 0 | 110.5 | V85 T97 I99 V110 M212 G213 S214 C215 | V85-L87 HydrophobicContact CG1-CD1 3.63Å; L87-T97 HydrophobicContact CD2-CG2 3.99Å; L87-I99 HydrophobicContact CD1-CG2 3.65Å; L87-I99 HydrophobicContact CD2-CG2 3.96Å; L87-I99 HydrophobicContact CG-CG2 4.39Å; L87-V110 HydrophobicContact CB-CG1 4.09Å; L87-V110 HydrophobicContact CB-CG2 4.45Å; L87-V110 HydrophobicContact CD1-CB 4.4Å; L87-V110 HydrophobicContact CD1-CG2 3.58Å; L87-M212 PolarHBondContact N-O 3.49Å; L87-G213 CarbonylContact C-O 3.15Å; L87-G213 CarbonylContact O-C 3.39Å; L87-G213 VanDerWaalsContact O-O 3.06Å; L87-S214 CarbonylContact O-C 3.38Å; L87-S214 WeakPolarHBondContact O-CA 3.21Å; L87-S214 PolarHBondContact O-N 3.3Å; L87-C215 PolarHBondContact O-N 3.43Å | ||
| 88 | G | 92.4 | Very high | 90.8 | Very high | 0 Ų | 0 | 32.5 Ų | 32.5 | 0% | 0 | 18% | 0.181 | C | C | . | . | trans | -130.2 | -169.2 | 175.1 | 0 | 0 | 0 | 0 | 0 | 111.6 | G91 A172 G213 | G88-G91 PolarHBondContact O-N 3.16Å; G88-A172 WeakPolarHBondContact O-CB 3.22Å; G88-G213 WeakPolarHBondContact CA-O 3.46Å | ||
| 89 | E | 93.3 | Very high | 91 | Very high | 22 Ų | 22 | 27.7 Ų | 27.7 | 10% | 0.103 | 16% | 0.155 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -51.7 | 147.9 | 176 | 59.5 | 163.3 | -152.3 | 0 | 0 | 113.7 | G91 K94 A114 K127 Y170 | E89-G91 PolarHBondContact O-N 2.88Å; E89-K94 WeakPolarHBondContact O-CD 3.35Å; E89-K94 IonicContact OE1-NZ 3.71Å; E89-K94 PolarHBondContact OE1-NZ 3.05Å; E89-A114 HydrophobicContact CB-CB 3.98Å; E89-K127 IonicContact OE1-NZ 3.74Å; E89-K127 WeakPolarHBondContact OE2-CD 3.11Å; E89-K127 VanDerWaalsContact OE2-CE 3.26Å; E89-K127 WeakPolarHBondContact OE2-CE 3.27Å; E89-K127 IonicContact OE2-NZ 2.62Å; E89-K127 PolarHBondContact OE2-NZ 2.82Å; E89-Y170 PolarHBondContact N-O 3.1Å |
| 90 | G | 89.4 | Confident | 91.5 | Very high | 18 Ų | 18 | 26.1 Ų | 26.1 | 19% | 0.186 | 14% | 0.137 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 72.6 | 3 | -177 | 0 | 0 | 0 | 0 | 0 | 113.8 | M93 K94 N112 D113 | G90-M93 PolarHBondContact O-N 2.82Å; G90-K94 PolarHBondContact O-N 3.5Å; G90-K94 VanDerWaalsContact O-N 3.1Å; G90-N112 PolarHBondContact O-OD1 3.07Å; G90-D113 PolarHBondContact N-O 3.23Å |
| 91 | G | 91.2 | Very high | 91.8 | Very high | 0 Ų | 0 | 31.4 Ų | 31.4 | 0% | 0 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | 55.2 | -141.9 | 169.5 | 0 | 0 | 0 | 0 | 0 | 113.6 | G88 E89 M93 Y95 N111 | G88-G91 PolarHBondContact O-N 3.16Å; E89-G91 PolarHBondContact O-N 2.88Å; G91-M93 VanDerWaalsContact C-N 3.34Å; G91-M93 PolarHBondContact O-N 3.32Å; G91-Y95 VanDerWaalsContact O-CD2 3.3Å; G91-Y95 WeakPolarHBondContact O-CD2 3.38Å; G91-Y95 PolarHBondContact O-N 2.81Å; G91-N111 WeakPolarHBondContact CA-O 3.47Å |
| 92 | E | 89.9 | Confident | 92 | Very high | 37 Ų | 37 | 31.6 Ų | 31.6 | 17% | 0.173 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -65.1 | -37.8 | -179.6 | -176.6 | 169.6 | 128.3 | 0 | 0 | 112.2 | K94 Y95 D96 T97 N98 I99 N100 N112 | E92-K94 PolarHBondContact O-N 3.25Å; E92-Y95 CarbonylContact O-C 3.56Å; E92-Y95 PolarHBondContact O-N 2.8Å; E92-D96 PolarHBondContact O-N 2.96Å; E92-T97 HydrophobicContact CG-CG2 4.01Å; E92-T97 WeakPolarHBondContact CG-O 3.43Å; E92-N98 VanDerWaalsContact CD-CA 3.46Å; E92-N98 WeakPolarHBondContact OE1-CA 3.47Å; E92-N98 WeakPolarHBondContact OE2-CA 3.37Å; E92-I99 PolarHBondContact OE2-N 3.21Å; E92-N100 WeakPolarHBondContact OE2-CB 3.11Å; E92-N100 VanDerWaalsContact OE2-CG 3.32Å; E92-N100 PolarHBondContact OE2-N 3.42Å; E92-N100 PolarHBondContact OE2-ND2 2.88Å; E92-N112 PolarHBondContact N-OD1 2.83Å; E92-N112 VanDerWaalsContact N-OD1 3.11Å |
| 93 | M | 88.8 | Confident | 92 | Very high | 157 Ų | 157 | 31.3 Ų | 31.3 | 77% | 0.773 | 15% | 0.154 | S | C | * | . | H | α-helix | trans | -65.3 | -38.5 | -174.9 | -171.5 | 177.7 | -178.1 | 0 | 0 | 112.6 | G90 G91 N112 | G90-M93 PolarHBondContact O-N 2.82Å; G91-M93 VanDerWaalsContact C-N 3.34Å; G91-M93 PolarHBondContact O-N 3.32Å; M93-N112 HydrophobicContact CB-CB 4.37Å; M93-N112 PolarHBondContact N-OD1 3.08Å |
| 94 | K | 90.5 | Very high | 91.9 | Very high | 129 Ų | 129 | 36 Ų | 36 | 56% | 0.561 | 18% | 0.175 | S | C | * | . | H | α-helix | trans | -76.9 | -31.4 | 177.6 | -174.1 | 173.6 | -178.8 | 172 | 0 | 112.6 | E89 G90 E92 | E89-K94 WeakPolarHBondContact O-CD 3.35Å; E89-K94 IonicContact OE1-NZ 3.71Å; E89-K94 PolarHBondContact OE1-NZ 3.05Å; G90-K94 PolarHBondContact O-N 3.5Å; G90-K94 VanDerWaalsContact O-N 3.1Å; E92-K94 PolarHBondContact O-N 3.25Å |
| 95 | Y | 88.5 | Confident | 91.7 | Very high | 17 Ų | 17 | 41.5 Ų | 41.5 | 7% | 0.067 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -88.5 | -9.2 | -178.9 | -79.5 | -105.1 | 0 | 0 | 0 | 113.1 | L18 R62 G91 E92 T97 | L18-Y95 HydrophobicContact CB-CE1 4.35Å; L18-Y95 HydrophobicContact CD2-CE1 4.3Å; L18-Y95 WeakPolarHBondContact CD2-OH 3.41Å; R62-Y95 CarbonylContact C-O 3.55Å; R62-Y95 WeakPolarHBondContact CA-O 3.45Å; R62-Y95 HydrophobicContact CG-CD1 3.82Å; R62-Y95 HydrophobicContact CG-CE1 4.47Å; G91-Y95 VanDerWaalsContact O-CD2 3.3Å; G91-Y95 WeakPolarHBondContact O-CD2 3.38Å; G91-Y95 PolarHBondContact O-N 2.81Å; E92-Y95 CarbonylContact O-C 3.56Å; E92-Y95 PolarHBondContact O-N 2.8Å; Y95-T97 PolarHBondContact O-N 2.87Å |
| 96 | D | 90.5 | Very high | 91.5 | Very high | 97 Ų | 97 | 42.4 Ų | 42.4 | 52% | 0.519 | 21% | 0.205 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 50.2 | 41.5 | -177.2 | -167 | 30 | 0 | 0 | 0 | 113.1 | K64 E92 | K64-D96 WeakPolarHBondContact CE-OD1 3.46Å; K64-D96 IonicContact NZ-OD1 3.81Å; K64-D96 PolarHBondContact NZ-OD1 3.26Å; E92-D96 PolarHBondContact O-N 2.96Å |
| 97 | T | 90.9 | Very high | 91.3 | Very high | 4 Ų | 4 | 42.6 Ų | 42.6 | 3% | 0.025 | 21% | 0.207 | C | C | . | . | trans | -106.2 | -175.5 | 173.9 | -167.5 | 0 | 0 | 0 | 0 | 109.9 | P61 E63 L87 E92 Y95 I99 | P61-T97 HydrophobicContact CG-CG2 4.36Å; E63-T97 PolarHBondContact O-OG1 2.87Å; L87-T97 HydrophobicContact CD2-CG2 3.99Å; E92-T97 HydrophobicContact CG-CG2 4.01Å; E92-T97 WeakPolarHBondContact CG-O 3.43Å; Y95-T97 PolarHBondContact O-N 2.87Å; T97-I99 HydrophobicContact CG2-CB 4.39Å; T97-I99 HydrophobicContact CG2-CG2 3.89Å | ||
| 98 | N | 93 | Very high | 91.3 | Very high | 27 Ų | 27 | 42.6 Ų | 42.6 | 14% | 0.144 | 21% | 0.207 | C | C | . | . | trans | -141.5 | 31.8 | 178.9 | 69.6 | -25.4 | 0 | 0 | 0 | 110.9 | K64 F65 E92 N100 F101 | K64-N98 WeakPolarHBondContact CA-OD1 3.31Å; K64-N98 HydrophobicContact CG-CB 4.32Å; F65-N98 PolarHBondContact N-OD1 2.62Å; F65-N98 PolarHBondContact O-ND2 2.85Å; F65-N98 PolarHBondContact O-OD1 2.99Å; E92-N98 VanDerWaalsContact CD-CA 3.46Å; E92-N98 WeakPolarHBondContact OE1-CA 3.47Å; E92-N98 WeakPolarHBondContact OE2-CA 3.37Å; N98-N100 VanDerWaalsContact C-N 3.28Å; N98-N100 PolarHBondContact O-N 3.32Å; N98-F101 HydrophobicContact CB-CD2 3.83Å; N98-F101 HydrophobicContact CB-CE2 4.15Å; N98-F101 WeakPolarHBondContact O-CD2 3.22Å; N98-F101 PolarHBondContact O-N 2.88Å | ||
| 99 | I | 91.4 | Very high | 91.4 | Very high | 0 Ų | 0 | 45.7 Ų | 45.7 | 0% | 0 | 22% | 0.222 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -71 | -23.7 | -175 | -165.9 | 60.5 | 0 | 0 | 0 | 112.2 | F65 V85 L87 E92 T97 F101 L102 L103 | F65-I99 HydrophobicContact CD2-CD1 4.1Å; F65-I99 HydrophobicContact CE2-CB 4.42Å; F65-I99 HydrophobicContact CE2-CD1 3.89Å; F65-I99 HydrophobicContact CZ-CD1 4.32Å; V85-I99 HydrophobicContact CG1-CG1 3.95Å; L87-I99 HydrophobicContact CD1-CG2 3.65Å; L87-I99 HydrophobicContact CD2-CG2 3.96Å; L87-I99 HydrophobicContact CG-CG2 4.39Å; E92-I99 PolarHBondContact OE2-N 3.21Å; T97-I99 HydrophobicContact CG2-CB 4.39Å; T97-I99 HydrophobicContact CG2-CG2 3.89Å; I99-F101 PolarHBondContact O-N 2.87Å; I99-L102 HydrophobicContact CD1-CB 4.47Å; I99-L102 HydrophobicContact CD1-CD2 4.12Å; I99-L102 WeakPolarHBondContact O-CB 3.48Å; I99-L102 PolarHBondContact O-N 3.38Å; I99-L103 HydrophobicContact CG1-CD1 4.4Å; I99-L103 HydrophobicContact CG1-CG 4.39Å; I99-L103 HydrophobicContact CG2-CD1 4.46Å; I99-L103 WeakPolarHBondContact O-CG 3.44Å; I99-L103 PolarHBondContact O-N 3Å |
| 100 | N | 93.6 | Very high | 91.4 | Very high | 8 Ų | 8 | 44.7 Ų | 44.7 | 4% | 0.043 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -61.4 | -29.8 | 177.2 | -73.9 | -24.7 | 0 | 0 | 0 | 112 | E92 N98 L102 L103 E104 M109 V110 | E92-N100 WeakPolarHBondContact OE2-CB 3.11Å; E92-N100 VanDerWaalsContact OE2-CG 3.32Å; E92-N100 PolarHBondContact OE2-N 3.42Å; E92-N100 PolarHBondContact OE2-ND2 2.88Å; N98-N100 VanDerWaalsContact C-N 3.28Å; N98-N100 PolarHBondContact O-N 3.32Å; N100-L102 PolarHBondContact O-N 2.86Å; N100-L102 VanDerWaalsContact O-N 3.14Å; N100-L103 PolarHBondContact O-N 3.38Å; N100-L103 VanDerWaalsContact O-N 3.08Å; N100-E104 VanDerWaalsContact O-CB 3.31Å; N100-E104 WeakPolarHBondContact O-CB 3.47Å; N100-E104 VanDerWaalsContact O-CG 3.24Å; N100-E104 WeakPolarHBondContact O-CG 3.4Å; N100-E104 PolarHBondContact O-N 2.9Å; N100-M109 HydrophobicContact CB-CG 4.48Å; N100-V110 PolarHBondContact ND2-O 2.97Å; N100-V110 VanDerWaalsContact ND2-O 3.12Å; N100-V110 PolarHBondContact OD1-N 3.42Å |
| 101 | F | 92.3 | Very high | 91.6 | Very high | 133 Ų | 133 | 44.5 Ų | 44.5 | 58% | 0.583 | 21% | 0.213 | S | C | * | . | H | α-helix | trans | -55.6 | -32.6 | 173.6 | -78.1 | -80.7 | 0 | 0 | 0 | 113.2 | L70 N98 I99 | L70-F101 HydrophobicContact CD1-CB 4.2Å; N98-F101 HydrophobicContact CB-CD2 3.83Å; N98-F101 HydrophobicContact CB-CE2 4.15Å; N98-F101 WeakPolarHBondContact O-CD2 3.22Å; N98-F101 PolarHBondContact O-N 2.88Å; I99-F101 PolarHBondContact O-N 2.87Å |
| 102 | L | 91.1 | Very high | 91.7 | Very high | 4 Ų | 4 | 48.7 Ų | 48.7 | 2% | 0.021 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -80.7 | -44.4 | 174.6 | 178.7 | 66.4 | 0 | 0 | 0 | 111.5 | L70 L73 K74 I99 N100 F106 | L70-L102 HydrophobicContact CD2-CB 3.96Å; L70-L102 HydrophobicContact CD2-CD2 4.26Å; L73-L102 HydrophobicContact CB-CD2 4.06Å; L73-L102 HydrophobicContact CD1-CD2 3.81Å; K74-L102 HydrophobicContact CD-CD1 4.27Å; K74-L102 HydrophobicContact CG-CD1 3.56Å; I99-L102 HydrophobicContact CD1-CB 4.47Å; I99-L102 HydrophobicContact CD1-CD2 4.12Å; I99-L102 WeakPolarHBondContact O-CB 3.48Å; I99-L102 PolarHBondContact O-N 3.38Å; N100-L102 PolarHBondContact O-N 2.86Å; N100-L102 VanDerWaalsContact O-N 3.14Å; L102-F106 HydrophobicContact CD1-CE2 3.75Å; L102-F106 HydrophobicContact CD1-CZ 4.46Å; L102-F106 HydrophobicContact CG-CE2 4Å; L102-F106 WeakPolarHBondContact O-CD2 3.24Å; L102-F106 WeakPolarHBondContact O-CE2 3.31Å |
| 103 | L | 92.8 | Very high | 91.7 | Very high | 0 Ų | 0 | 47.7 Ų | 47.7 | 0% | 0 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -69.8 | -34.9 | -173 | -59.5 | 179.9 | 0 | 0 | 0 | 112.1 | V85 I99 N100 E105 F106 G107 I108 V110 L209 V211 | V85-L103 HydrophobicContact CG1-CD1 4.33Å; V85-L103 HydrophobicContact CG2-CD2 4.2Å; I99-L103 HydrophobicContact CG1-CD1 4.4Å; I99-L103 HydrophobicContact CG1-CG 4.39Å; I99-L103 HydrophobicContact CG2-CD1 4.46Å; I99-L103 WeakPolarHBondContact O-CG 3.44Å; I99-L103 PolarHBondContact O-N 3Å; N100-L103 PolarHBondContact O-N 3.38Å; N100-L103 VanDerWaalsContact O-N 3.08Å; L103-E105 VanDerWaalsContact C-N 3.26Å; L103-E105 PolarHBondContact O-N 2.9Å; L103-F106 CarbonylContact O-C 3.52Å; L103-F106 WeakPolarHBondContact O-CA 3.47Å; L103-F106 PolarHBondContact O-N 2.97Å; L103-G107 PolarHBondContact O-N 3.25Å; L103-I108 CarbonylContact C-O 3.6Å; L103-I108 WeakPolarHBondContact CA-O 3.49Å; L103-I108 HydrophobicContact CB-CB 4.32Å; L103-I108 WeakPolarHBondContact CB-O 3.48Å; L103-I108 PolarHBondContact O-N 2.86Å; L103-V110 HydrophobicContact CD1-CG2 4.03Å; L103-L209 HydrophobicContact CD2-CD1 4.39Å; L103-L209 HydrophobicContact CD2-CD2 4.17Å; L103-V211 HydrophobicContact CD1-CG1 3.98Å; L103-V211 HydrophobicContact CD1-CG2 4.23Å; L103-V211 HydrophobicContact CD2-CG2 3.64Å; L103-V211 HydrophobicContact CG-CG2 4.5Å |
| 104 | E | 92.4 | Very high | 91.9 | Very high | 102 Ų | 102 | 41.7 Ų | 41.7 | 48% | 0.477 | 21% | 0.206 | S | C | . | . | G | 310 helix | trans | -61.5 | -34.6 | -179 | -78.6 | 174.1 | -167.3 | 0 | 0 | 111.8 | N100 F106 G107 I108 M109 | N100-E104 VanDerWaalsContact O-CB 3.31Å; N100-E104 WeakPolarHBondContact O-CB 3.47Å; N100-E104 VanDerWaalsContact O-CG 3.24Å; N100-E104 WeakPolarHBondContact O-CG 3.4Å; N100-E104 PolarHBondContact O-N 2.9Å; E104-F106 PolarHBondContact O-N 2.85Å; E104-G107 PolarHBondContact O-N 3.42Å; E104-I108 WeakPolarHBondContact CA-O 3.35Å; E104-I108 PolarHBondContact N-O 2.83Å; E104-M109 HydrophobicContact CG-CB 4.19Å; E104-M109 HydrophobicContact CG-CG 4.39Å |
| 105 | E | 89.8 | Confident | 92 | Very high | 116 Ų | 116 | 35.6 Ų | 35.6 | 54% | 0.542 | 18% | 0.18 | S | C | . | . | G | 310 helix | trans | -64.2 | -25.9 | 174.8 | -66.1 | -174.2 | -161.8 | 0 | 0 | 112.9 | K74 L103 | K74-E105 WeakPolarHBondContact CE-OE2 3.48Å; K74-E105 IonicContact NZ-OE1 2.82Å; K74-E105 PolarHBondContact NZ-OE1 2.9Å; K74-E105 IonicContact NZ-OE2 3.58Å; K74-E105 PolarHBondContact NZ-OE2 3.41Å; L103-E105 VanDerWaalsContact C-N 3.26Å; L103-E105 PolarHBondContact O-N 2.9Å |
| 106 | F | 90.3 | Very high | 92.2 | Very high | 18 Ų | 18 | 36.8 Ų | 36.8 | 8% | 0.079 | 19% | 0.189 | C | C | . | . | G | 310 helix | trans | -94.7 | 4.2 | 174.5 | -55.4 | -60.1 | 0 | 0 | 0 | 112.7 | K74 L77 L102 L103 E104 A180 Y201 L209 | K74-F106 HydrophobicContact CG-CZ 4.25Å; L77-F106 HydrophobicContact CD2-CD1 4.25Å; L77-F106 HydrophobicContact CD2-CE1 3.59Å; L77-F106 HydrophobicContact CD2-CE2 3.98Å; L77-F106 HydrophobicContact CD2-CZ 3.43Å; L77-F106 VanDerWaalsContact CD2-CZ 3.43Å; L102-F106 HydrophobicContact CD1-CE2 3.75Å; L102-F106 HydrophobicContact CD1-CZ 4.46Å; L102-F106 HydrophobicContact CG-CE2 4Å; L102-F106 WeakPolarHBondContact O-CD2 3.24Å; L102-F106 WeakPolarHBondContact O-CE2 3.31Å; L103-F106 CarbonylContact O-C 3.52Å; L103-F106 WeakPolarHBondContact O-CA 3.47Å; L103-F106 PolarHBondContact O-N 2.97Å; E104-F106 PolarHBondContact O-N 2.85Å; F106-A180 WeakPolarHBondContact O-CB 3.01Å; F106-Y201 HydrophobicContact CB-CD1 3.91Å; F106-Y201 HydrophobicContact CB-CD2 4.45Å; F106-Y201 HydrophobicContact CB-CE1 4.13Å; F106-Y201 HydrophobicContact CB-CG 4.06Å; F106-Y201 AromaticContact CD1-CD1 3.68Å; F106-Y201 HydrophobicContact CD1-CD1 3.68Å; F106-Y201 AromaticContact CD1-CE1 3.1Å; F106-Y201 HydrophobicContact CD1-CE1 3.1Å; F106-Y201 HydrophobicContact CD1-CE2 4.46Å; F106-Y201 AromaticContact CD1-CZ 3.57Å; F106-Y201 HydrophobicContact CE1-CD1 4.42Å; F106-Y201 AromaticContact CE1-CE1 3.64Å; F106-Y201 HydrophobicContact CE1-CE1 3.64Å; F106-Y201 AromaticContact CG-CD1 3.9Å; F106-Y201 HydrophobicContact CG-CD1 3.9Å; F106-Y201 AromaticContact CG-CE1 3.81Å; F106-Y201 HydrophobicContact CG-CE1 3.81Å; F106-L209 HydrophobicContact CB-CD2 3.92Å; F106-L209 HydrophobicContact CD2-CD2 3.51Å; F106-L209 HydrophobicContact CE2-CD2 4.23Å; F106-L209 HydrophobicContact CG-CD2 3.84Å |
| 107 | G | 90.1 | Very high | 92.1 | Very high | 5 Ų | 5 | 33.4 Ų | 33.4 | 5% | 0.052 | 17% | 0.169 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 78.2 | 23.2 | 180 | 0 | 0 | 0 | 0 | 0 | 114.2 | L103 E104 V176 M177 | L103-G107 PolarHBondContact O-N 3.25Å; E104-G107 PolarHBondContact O-N 3.42Å; G107-V176 CarbonylContact O-C 3.57Å; G107-V176 WeakPolarHBondContact O-CA 3.45Å; G107-M177 VanDerWaalsContact CA-CG 3.46Å; G107-M177 WeakPolarHBondContact O-CG 3.45Å; G107-M177 PolarHBondContact O-N 3.31Å |
| 108 | I | 94.8 | Very high | 91.9 | Very high | 1 Ų | 1 | 37.6 Ų | 37.6 | 1% | 0.005 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.4 | 136.8 | 177.2 | -54.1 | 169 | 0 | 0 | 0 | 109.2 | L103 E104 S175 A180 A199 L209 V211 | L103-I108 CarbonylContact C-O 3.6Å; L103-I108 WeakPolarHBondContact CA-O 3.49Å; L103-I108 HydrophobicContact CB-CB 4.32Å; L103-I108 WeakPolarHBondContact CB-O 3.48Å; L103-I108 PolarHBondContact O-N 2.86Å; E104-I108 WeakPolarHBondContact CA-O 3.35Å; E104-I108 PolarHBondContact N-O 2.83Å; I108-S175 CarbonylContact C-O 3.59Å; I108-S175 WeakPolarHBondContact CA-O 3.45Å; I108-A180 HydrophobicContact CD1-CB 3.73Å; I108-A180 HydrophobicContact CG1-CB 3.34Å; I108-A199 HydrophobicContact CD1-CB 3.82Å; I108-A199 HydrophobicContact CG1-CB 4.05Å; I108-A199 HydrophobicContact CG2-CB 4.16Å; I108-L209 HydrophobicContact CD1-CD2 4.42Å; I108-V211 HydrophobicContact CB-CG2 4.36Å; I108-V211 HydrophobicContact CD1-CB 4.28Å; I108-V211 HydrophobicContact CD1-CG2 3.69Å; I108-V211 HydrophobicContact CG2-CB 3.86Å; I108-V211 HydrophobicContact CG2-CG1 3.91Å; I108-V211 HydrophobicContact CG2-CG2 3.9Å |
| 109 | M | 94.6 | Very high | 91.4 | Very high | 65 Ų | 65 | 40.9 Ų | 40.9 | 32% | 0.32 | 21% | 0.212 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.4 | 134.5 | 174.4 | 177.8 | -167.9 | 146.7 | 0 | 0 | 109.6 | N100 E104 L174 S175 | N100-M109 HydrophobicContact CB-CG 4.48Å; E104-M109 HydrophobicContact CG-CB 4.19Å; E104-M109 HydrophobicContact CG-CG 4.39Å; M109-L174 CarbonylContact O-C 3.57Å; M109-L174 WeakPolarHBondContact O-CA 3.41Å; M109-S175 PolarHBondContact N-O 2.76Å; M109-S175 PolarHBondContact O-N 2.95Å |
| 110 | V | 94.3 | Very high | 91.1 | Very high | 0 Ų | 0 | 48.7 Ų | 48.7 | 0% | 0 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.2 | 123.1 | 173.6 | -172 | 0 | 0 | 0 | 0 | 109.4 | L87 N100 L103 A172 L174 V211 | L87-V110 HydrophobicContact CB-CG1 4.09Å; L87-V110 HydrophobicContact CB-CG2 4.45Å; L87-V110 HydrophobicContact CD1-CB 4.4Å; L87-V110 HydrophobicContact CD1-CG2 3.58Å; N100-V110 PolarHBondContact ND2-O 2.97Å; N100-V110 VanDerWaalsContact ND2-O 3.12Å; N100-V110 PolarHBondContact OD1-N 3.42Å; L103-V110 HydrophobicContact CD1-CG2 4.03Å; V110-A172 HydrophobicContact CG1-CB 3.94Å; V110-L174 HydrophobicContact CB-CD2 4.12Å; V110-L174 HydrophobicContact CG1-CD2 4.14Å; V110-L174 HydrophobicContact CG2-CD2 3.65Å; V110-V211 HydrophobicContact CG2-CG1 4.12Å |
| 111 | N | 93.3 | Very high | 90.4 | Very high | 15 Ų | 15 | 54.5 Ų | 54.5 | 8% | 0.08 | 27% | 0.265 | C | S | . | . | trans | -76.3 | 154.9 | 180 | -63.6 | -39.7 | 0 | 0 | 0 | 111.4 | G91 D113 A172 T173 S175 | G91-N111 WeakPolarHBondContact CA-O 3.47Å; N111-D113 PolarHBondContact O-N 2.86Å; N111-D113 VanDerWaalsContact O-N 3.16Å; N111-A172 WeakPolarHBondContact O-CB 3.34Å; N111-T173 WeakPolarHBondContact CB-O 3.31Å; N111-T173 PolarHBondContact N-O 2.8Å; N111-T173 PolarHBondContact ND2-OG1 2.89Å; N111-S175 PolarHBondContact ND2-OG 2.77Å; N111-S175 PolarHBondContact OD1-OG 2.86Å | ||
| 112 | N | 91.9 | Very high | 90 | Very high | 87 Ų | 87 | 53.9 Ų | 53.9 | 47% | 0.465 | 26% | 0.262 | S | S | . | . | S | Bend | trans | -89.8 | 49.5 | 177.3 | -61.3 | -34.4 | 0 | 0 | 0 | 111.2 | G90 E92 M93 | G90-N112 PolarHBondContact O-OD1 3.07Å; E92-N112 PolarHBondContact N-OD1 2.83Å; E92-N112 VanDerWaalsContact N-OD1 3.11Å; M93-N112 HydrophobicContact CB-CB 4.37Å; M93-N112 PolarHBondContact N-OD1 3.08Å |
| 113 | D | 91.8 | Very high | 89.8 | Confident | 16 Ų | 16 | 55 Ų | 55 | 9% | 0.086 | 27% | 0.266 | C | S | . | . | trans | -122.4 | -178.8 | -177.2 | 68.3 | -9.9 | 0 | 0 | 0 | 111.7 | G90 N111 A172 T173 Y259 | G90-D113 PolarHBondContact N-O 3.23Å; N111-D113 PolarHBondContact O-N 2.86Å; N111-D113 VanDerWaalsContact O-N 3.16Å; D113-A172 WeakPolarHBondContact OD1-CA 3.38Å; D113-T173 PolarHBondContact OD1-N 3.43Å; D113-T173 PolarHBondContact OD1-OG1 3.27Å; D113-T173 WeakPolarHBondContact OD2-CB 3.36Å; D113-T173 WeakPolarHBondContact OD2-CG2 3.47Å; D113-T173 PolarHBondContact OD2-OG1 3.34Å; D113-Y259 WeakPolarHBondContact CB-OH 3.04Å; D113-Y259 WeakPolarHBondContact OD2-CE2 3.46Å | ||
| 114 | A | 93 | Very high | 89.4 | Confident | 32 Ų | 32 | 63.8 Ų | 63.8 | 26% | 0.264 | 31% | 0.305 | S | S | . | . | trans | -139.3 | 126.9 | 175.1 | 0 | 0 | 0 | 0 | 0 | 109.1 | E89 V116 | E89-A114 HydrophobicContact CB-CB 3.98Å; A114-V116 PolarHBondContact O-N 2.96Å | ||
| 115 | V | 92.6 | Very high | 89.4 | Confident | 0 Ų | 0 | 62.1 Ų | 62.1 | 0% | 0 | 30% | 0.296 | C | S | . | . | trans | -73.6 | 126 | 175 | -177.9 | 0 | 0 | 0 | 0 | 108.9 | A129 Y168 G171 T173 T186 C190 F191 | V115-A129 HydrophobicContact CG1-CB 3.93Å; V115-Y168 HydrophobicContact CB-CD1 4.02Å; V115-Y168 HydrophobicContact CB-CE1 4.09Å; V115-Y168 HydrophobicContact CG1-CD1 4.25Å; V115-Y168 HydrophobicContact CG2-CD1 4.1Å; V115-Y168 HydrophobicContact CG2-CE1 3.72Å; V115-G171 PolarHBondContact N-O 3.12Å; V115-T173 HydrophobicContact CG2-CG2 3.55Å; V115-T186 HydrophobicContact CB-CG2 4.35Å; V115-T186 HydrophobicContact CG1-CG2 3.77Å; V115-T186 HydrophobicContact CG2-CG2 3.56Å; V115-C190 HydrophobicContact CG1-CB 3.78Å; V115-F191 WeakPolarHBondContact CA-O 3.5Å | ||
| 116 | V | 92.1 | Very high | 89.4 | Confident | 43 Ų | 43 | 60 Ų | 60 | 26% | 0.261 | 29% | 0.293 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121 | 150.9 | 175.3 | -64.7 | 0 | 0 | 0 | 0 | 109.3 | A114 K127 C190 F191 | A114-V116 PolarHBondContact O-N 2.96Å; V116-K127 HydrophobicContact CG1-CG 3.98Å; V116-C190 CarbonylContact O-C 3.52Å; V116-C190 WeakPolarHBondContact O-CA 3.27Å; V116-F191 HydrophobicContact CG2-CB 3.99Å; V116-F191 HydrophobicContact CG2-CD1 4.48Å; V116-F191 PolarHBondContact N-O 3.01Å; V116-F191 PolarHBondContact O-N 2.83Å |
| 117 | R | 88.4 | Confident | 89.5 | Confident | 25 Ų | 25 | 61.7 Ų | 61.7 | 9% | 0.094 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.1 | 149.9 | 170.1 | 72.9 | -173.3 | 77.3 | 166.7 | 22.3 | 111 | V119 Y121 Y123 H125 P126 E128 | R117-V119 WeakPolarHBondContact CD-O 3.37Å; R117-V119 WeakPolarHBondContact CG-O 3.31Å; R117-Y121 PolarHBondContact NH1-O 2.98Å; R117-Y123 PolarHBondContact NH1-O 2.88Å; R117-Y123 PolarHBondContact NH2-O 2.84Å; R117-H125 PolarHBondContact NH2-O 2.92Å; R117-P126 WeakPolarHBondContact CG-O 3.43Å; R117-P126 PolarHBondContact N-O 3.36Å; R117-P126 PolarHBondContact NE-O 2.98Å; R117-E128 PolarHBondContact NE-O 2.76Å; R117-E128 PolarHBondContact NH2-O 3.3Å |
| 118 | N | 85.6 | Confident | 89.6 | Confident | 92 Ų | 92 | 62.3 Ų | 62.3 | 49% | 0.492 | 30% | 0.302 | S | S | . | . | S | Bend | trans | -84.7 | -30.4 | 172.1 | -72.3 | -14.8 | 0 | 0 | 0 | 113 | V189 F191 | N118-V189 WeakPolarHBondContact CB-O 3.27Å; N118-V189 PolarHBondContact N-O 3.3Å; N118-F191 WeakPolarHBondContact OD1-CB 3.46Å |
| 119 | V | 83 | Confident | 89.4 | Confident | 96 Ų | 96 | 62.2 Ų | 62.2 | 58% | 0.582 | 30% | 0.301 | S | S | * | . | S | Bend | trans | -122.7 | 137.5 | -175.8 | -174.1 | 0 | 0 | 0 | 0 | 109.6 | R117 Y121 | R117-V119 WeakPolarHBondContact CD-O 3.37Å; R117-V119 WeakPolarHBondContact CG-O 3.31Å; V119-Y121 PolarHBondContact O-N 2.7Å |
| 120 | Y | 85.8 | Confident | 89.3 | Confident | 165 Ų | 165 | 60 Ų | 60 | 65% | 0.647 | 29% | 0.291 | S | S | * | . | trans | -64.4 | 128.8 | 173.9 | 175.3 | -94.5 | 0 | 0 | 0 | 110.8 | Y123 | Y120-Y123 WeakPolarHBondContact CE2-O 3.37Š| ||
| 121 | Y | 79.3 | Confident | 89.1 | Confident | 130 Ų | 130 | 60.1 Ų | 60.1 | 51% | 0.51 | 29% | 0.291 | S | S | . | . | trans | -161.2 | 122.1 | 179.2 | -168.1 | -98.2 | 0 | 0 | 0 | 112.3 | R117 V119 Y123 L130 | R117-Y121 PolarHBondContact NH1-O 2.98Å; V119-Y121 PolarHBondContact O-N 2.7Å; Y121-Y123 PolarHBondContact O-N 2.97Å; Y121-L130 HydrophobicContact CD1-CD2 3.37Å; Y121-L130 HydrophobicContact CE1-CD2 3.42Å; Y121-L130 VanDerWaalsContact CE1-CD2 3.42Å | ||
| 122 | K | 83.4 | Confident | 88.8 | Confident | 120 Ų | 120 | 61.6 Ų | 61.6 | 52% | 0.522 | 30% | 0.303 | S | S | . | . | S | Bend | trans | 56.4 | -49.4 | 179 | -70.7 | -177 | -175.7 | -179.4 | 0 | 117.8 | E226 | K122-E226 WeakPolarHBondContact CD-OE1 3.33Å; K122-E226 IonicContact NZ-OE1 2.86Å; K122-E226 PolarHBondContact NZ-OE1 2.95Å; K122-E226 IonicContact NZ-OE2 2.73Å; K122-E226 PolarHBondContact NZ-OE2 3.21Å |
| 123 | Y | 86.9 | Confident | 88.6 | Confident | 26 Ų | 26 | 59 Ų | 59 | 10% | 0.102 | 29% | 0.289 | C | S | . | . | trans | -98.7 | 147.6 | -171.2 | -65 | -75 | 0 | 0 | 0 | 111.8 | R117 Y120 Y121 E128 L130 V167 K225 | R117-Y123 PolarHBondContact NH1-O 2.88Å; R117-Y123 PolarHBondContact NH2-O 2.84Å; Y120-Y123 WeakPolarHBondContact CE2-O 3.37Å; Y121-Y123 PolarHBondContact O-N 2.97Å; Y123-E128 WeakPolarHBondContact CB-OE2 3.43Å; Y123-E128 HydrophobicContact CG-CB 4.14Å; Y123-L130 HydrophobicContact CE2-CD1 4.44Å; Y123-V167 HydrophobicContact CD2-CG1 4.5Å; Y123-V167 HydrophobicContact CE2-CG1 4.18Å; Y123-V167 HydrophobicContact CE2-CG2 3.64Å; Y123-V167 WeakPolarHBondContact OH-CG2 3.43Å; Y123-K225 HydrophobicContact CE1-CD 3.77Å | ||
| 124 | F | 84.6 | Confident | 88.3 | Confident | 186 Ų | 186 | 58.2 Ų | 58.2 | 82% | 0.816 | 29% | 0.285 | S | S | * | . | S | Bend | trans | -82.6 | -40.5 | -170.6 | -168.9 | -104.7 | 0 | 0 | 0 | 113.2 | E128 | F124-E128 PolarHBondContact N-OE2 3.5Š|
| 125 | H | 90.8 | Very high | 88.1 | Confident | 66 Ų | 66 | 56.8 Ų | 56.8 | 31% | 0.306 | 27% | 0.273 | S | S | . | . | S | Bend | trans | -88.7 | 127.1 | -175.6 | -169.2 | -44.7 | 0 | 0 | 0 | 110.7 | R117 K127 E128 Y170 | R117-H125 PolarHBondContact NH2-O 2.92Å; H125-K127 PolarHBondContact ND1-N 3Å; H125-K127 PolarHBondContact O-N 2.91Å; H125-E128 HydrophobicContact CB-CG 4.15Å; H125-E128 PolarHBondContact N-OE2 2.66Å; H125-E128 VanDerWaalsContact N-OE2 3.07Å; H125-E128 WeakPolarHBondContact O-CB 3.3Å; H125-E128 PolarHBondContact O-N 3.36Å; H125-Y170 AromaticContact CD2-CE1 3.7Å; H125-Y170 AromaticContact CD2-CZ 3.79Å; H125-Y170 PolarHBondContact CD2-OH 2.81Å; H125-Y170 AromaticContact CE1-CE1 3.95Å; H125-Y170 AromaticContact NE2-CE1 3.67Å |
| 126 | P | 89.9 | Confident | 87.9 | Confident | 73 Ų | 73 | 57 Ų | 57 | 47% | 0.474 | 27% | 0.274 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -50.3 | -27 | -177 | -31.3 | 35 | 0 | 0 | 0 | 116.5 | R117 E128 | R117-P126 WeakPolarHBondContact CG-O 3.43Å; R117-P126 PolarHBondContact N-O 3.36Å; R117-P126 PolarHBondContact NE-O 2.98Å; P126-E128 VanDerWaalsContact C-N 3.35Å |
| 127 | K | 93.1 | Very high | 87.6 | Confident | 53 Ų | 53 | 55 Ų | 55 | 23% | 0.23 | 26% | 0.262 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -82.9 | -5.6 | -179.8 | -60.5 | -176.3 | 178.1 | -178.2 | 0 | 114.5 | E89 V116 H125 A129 P169 Y170 | E89-K127 IonicContact OE1-NZ 3.74Å; E89-K127 WeakPolarHBondContact OE2-CD 3.11Å; E89-K127 VanDerWaalsContact OE2-CE 3.26Å; E89-K127 WeakPolarHBondContact OE2-CE 3.27Å; E89-K127 IonicContact OE2-NZ 2.62Å; E89-K127 PolarHBondContact OE2-NZ 2.82Å; V116-K127 HydrophobicContact CG1-CG 3.98Å; H125-K127 PolarHBondContact ND1-N 3Å; H125-K127 PolarHBondContact O-N 2.91Å; K127-A129 PolarHBondContact O-N 3.36Å; K127-A129 VanDerWaalsContact O-N 3.12Å; K127-P169 CarbonylContact O-C 3.53Å; K127-P169 WeakPolarHBondContact O-CA 3.36Å; K127-Y170 HydrophobicContact CB-CD1 3.85Å; K127-Y170 HydrophobicContact CB-CE1 4.08Å; K127-Y170 HydrophobicContact CB-CG 4.48Å; K127-Y170 HydrophobicContact CD-CD1 3.92Å; K127-Y170 HydrophobicContact CD-CE1 4.25Å; K127-Y170 PolarHBondContact O-N 3.07Å |
| 128 | E | 92.1 | Very high | 87.4 | Confident | 17 Ų | 17 | 57.2 Ų | 57.2 | 8% | 0.079 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.5 | 69.6 | 165.5 | -58.6 | 170.8 | 126.4 | 0 | 0 | 108.4 | R117 Y123 F124 H125 P126 L130 P169 Y170 Y222 | R117-E128 PolarHBondContact NE-O 2.76Å; R117-E128 PolarHBondContact NH2-O 3.3Å; Y123-E128 WeakPolarHBondContact CB-OE2 3.43Å; Y123-E128 HydrophobicContact CG-CB 4.14Å; F124-E128 PolarHBondContact N-OE2 3.5Å; H125-E128 HydrophobicContact CB-CG 4.15Å; H125-E128 PolarHBondContact N-OE2 2.66Å; H125-E128 VanDerWaalsContact N-OE2 3.07Å; H125-E128 WeakPolarHBondContact O-CB 3.3Å; H125-E128 PolarHBondContact O-N 3.36Å; P126-E128 VanDerWaalsContact C-N 3.35Å; E128-L130 PolarHBondContact O-N 2.86Å; E128-P169 HydrophobicContact CG-CB 4.36Å; E128-Y170 HydrophobicContact CG-CE2 4.28Å; E128-Y222 HydrophobicContact CG-CE1 4.15Å; E128-Y222 WeakPolarHBondContact OE1-CE1 3.46Å; E128-Y222 VanDerWaalsContact OE1-CZ 3.32Å; E128-Y222 PolarHBondContact OE1-OH 3.11Å |
| 129 | A | 90.9 | Very high | 87.2 | Confident | 0 Ų | 0 | 54.9 Ų | 54.9 | 0% | 0 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.1 | 125.7 | -172.8 | 0 | 0 | 0 | 0 | 0 | 110.5 | V115 K127 Y168 C190 | V115-A129 HydrophobicContact CG1-CB 3.93Å; K127-A129 PolarHBondContact O-N 3.36Å; K127-A129 VanDerWaalsContact O-N 3.12Å; A129-Y168 PolarHBondContact N-O 3.36Å; A129-Y168 PolarHBondContact O-N 3.25Å; A129-C190 HydrophobicContact CB-CB 4.46Å |
| 130 | L | 91.9 | Very high | 87.3 | Confident | 19 Ų | 19 | 50.7 Ų | 50.7 | 10% | 0.099 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.6 | 118.3 | 172.5 | -176.9 | 71.8 | 0 | 0 | 0 | 108.7 | Y121 Y123 E128 T165 V167 E226 | Y121-L130 HydrophobicContact CD1-CD2 3.37Å; Y121-L130 HydrophobicContact CE1-CD2 3.42Å; Y121-L130 VanDerWaalsContact CE1-CD2 3.42Å; Y123-L130 HydrophobicContact CE2-CD1 4.44Å; E128-L130 PolarHBondContact O-N 2.86Å; L130-T165 HydrophobicContact CD1-CG2 3.72Å; L130-T165 HydrophobicContact CD2-CG2 4.32Å; L130-T165 HydrophobicContact CG-CG2 4.06Å; L130-V167 HydrophobicContact CD1-CG2 3.91Å; L130-E226 HydrophobicContact CD1-CG 3.77Å |
| 131 | V | 91.1 | Very high | 87.2 | Confident | 1 Ų | 1 | 43.1 Ų | 43.1 | 1% | 0.006 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108 | 114.2 | -179 | -174.1 | 0 | 0 | 0 | 0 | 108.8 | T165 F166 | V131-T165 WeakPolarHBondContact O-CA 3.35Å; V131-F166 HydrophobicContact CB-CD1 4.47Å; V131-F166 HydrophobicContact CB-CD2 4.25Å; V131-F166 HydrophobicContact CB-CE1 4.05Å; V131-F166 HydrophobicContact CB-CE2 3.81Å; V131-F166 HydrophobicContact CB-CZ 3.71Å; V131-F166 HydrophobicContact CG1-CE1 3.96Å; V131-F166 HydrophobicContact CG1-CE2 4.3Å; V131-F166 HydrophobicContact CG1-CZ 3.69Å; V131-F166 HydrophobicContact CG2-CE2 3.99Å; V131-F166 HydrophobicContact CG2-CZ 4.22Å; V131-F166 PolarHBondContact N-O 3.14Å; V131-F166 PolarHBondContact O-N 3.14Å |
| 132 | S | 87.1 | Confident | 87.3 | Confident | 47 Ų | 47 | 44.6 Ų | 44.6 | 33% | 0.329 | 21% | 0.207 | S | C | . | . | S | Bend | trans | -101.2 | -19.9 | 179.6 | -52.7 | 0 | 0 | 0 | 0 | 113.5 | Q162 | S132-Q162 WeakPolarHBondContact O-CA 3.34Š|
| 133 | N | 86.9 | Confident | 87.1 | Confident | 31 Ų | 31 | 40.2 Ų | 40.2 | 17% | 0.166 | 19% | 0.193 | C | C | . | . | S | Bend | trans | -130.2 | 46.4 | -177.4 | 67.1 | -35.8 | 0 | 0 | 0 | 112.2 | A161 Q162 G187 S188 | N133-A161 CarbonylContact C-O 3.56Å; N133-A161 WeakPolarHBondContact CA-O 3.02Å; N133-Q162 HydrophobicContact CB-CG 3.88Å; N133-G187 WeakPolarHBondContact OD1-CA 3.42Å; N133-S188 WeakPolarHBondContact ND2-CB 3.41Å; N133-S188 PolarHBondContact ND2-N 2.87Å; N133-S188 PolarHBondContact ND2-OG 2.91Å; N133-S188 PolarHBondContact OD1-N 2.74Å |
| 134 | G | 85.4 | Confident | 86.6 | Confident | 0 Ų | 0 | 39.8 Ų | 39.8 | 0% | 0 | 20% | 0.195 | C | C | . | . | trans | -102.8 | 9.1 | -173.3 | 0 | 0 | 0 | 0 | 0 | 114.6 | L184 S185 | G134-L184 CarbonylContact O-C 3.53Å; G134-L184 WeakPolarHBondContact O-CA 3.49Å; G134-L184 WeakPolarHBondContact O-CD2 3.45Å; G134-S185 WeakPolarHBondContact CA-O 3.27Å; G134-S185 PolarHBondContact O-N 2.99Å | ||
| 135 | V | 89.4 | Confident | 85.9 | Confident | 2 Ų | 2 | 34 Ų | 34 | 1% | 0.012 | 19% | 0.187 | C | C | . | . | B | Isolated β-bridge | trans | -88.9 | 115.4 | -177.6 | 177.4 | 0 | 0 | 0 | 0 | 109.7 | N137 I140 A161 L164 L184 | V135-N137 VanDerWaalsContact CG1-O 3.3Å; V135-N137 WeakPolarHBondContact CG1-O 3.44Å; V135-I140 HydrophobicContact CG1-CB 4.25Å; V135-I140 HydrophobicContact CG1-CD1 4.2Å; V135-A161 PolarHBondContact N-O 2.82Å; V135-L164 HydrophobicContact CG2-CB 3.83Å; V135-L164 HydrophobicContact CG2-CD1 3.99Å; V135-L164 HydrophobicContact CG2-CG 4.39Å; V135-L184 HydrophobicContact CG2-CD2 4.15Å |
| 136 | L | 87.3 | Confident | 84.8 | Confident | 6 Ų | 6 | 34 Ų | 34 | 3% | 0.031 | 19% | 0.186 | C | C | . | . | trans | -91.5 | -30.9 | 178.7 | -63.2 | 176.2 | 0 | 0 | 0 | 112.7 | N159 A182 V183 P254 E255 I256 | L136-N159 PolarHBondContact O-ND2 3.34Å; L136-A182 HydrophobicContact CD1-CB 3.69Å; L136-V183 WeakPolarHBondContact CB-O 3.33Å; L136-V183 PolarHBondContact N-O 3.47Å; L136-P254 HydrophobicContact CD1-CB 4.36Å; L136-E255 HydrophobicContact CD2-CB 4.35Å; L136-I256 HydrophobicContact CD1-CG2 3.82Å; L136-I256 HydrophobicContact CD2-CG2 4.45Å | ||
| 137 | N | 86.2 | Confident | 83 | Confident | 1 Ų | 1 | 35.5 Ų | 35.5 | 1% | 0.005 | 19% | 0.194 | C | C | . | . | trans | -113.3 | 124.2 | 179 | -161.9 | -62.4 | 0 | 0 | 0 | 111 | V135 E139 I140 N247 | V135-N137 VanDerWaalsContact CG1-O 3.3Å; V135-N137 WeakPolarHBondContact CG1-O 3.44Å; N137-E139 PolarHBondContact O-N 2.75Å; N137-E139 VanDerWaalsContact O-N 3.14Å; N137-E139 WeakPolarHBondContact OD1-CB 3.28Å; N137-E139 PolarHBondContact OD1-N 3.15Å; N137-E139 VanDerWaalsContact OD1-N 3.11Å; N137-I140 HydrophobicContact CB-CD1 4.17Å; N137-I140 HydrophobicContact CB-CG1 4.26Å; N137-I140 WeakPolarHBondContact O-CB 3.36Å; N137-I140 WeakPolarHBondContact O-CG1 3.26Å; N137-I140 PolarHBondContact O-N 3.11Å; N137-I140 VanDerWaalsContact O-N 3.15Å; N137-N247 PolarHBondContact ND2-N 2.75Å; N137-N247 PolarHBondContact ND2-O 3.23Å; N137-N247 PolarHBondContact OD1-N 3.48Å | ||
| 138 | R | 84.4 | Confident | 80.8 | Confident | 70 Ų | 70 | 37.4 Ų | 37.4 | 26% | 0.264 | 21% | 0.21 | S | C | . | . | H | α-helix | trans | -62 | -23.3 | -176.9 | 71.9 | -171.7 | 71.3 | -163.4 | 2.5 | 114.1 | I140 S141 R142 N159 N247 D250 | R138-I140 PolarHBondContact O-N 2.95Å; R138-S141 WeakPolarHBondContact O-CB 3.46Å; R138-S141 PolarHBondContact O-N 3.34Å; R138-R142 PolarHBondContact O-N 3.14Å; R138-N159 WeakPolarHBondContact CB-OD1 3.49Å; R138-N247 HydrophobicContact CG-CB 4.22Å; R138-D250 WeakPolarHBondContact CG-OD2 3.39Å; R138-D250 IonicContact CZ-OD1 2.83Å; R138-D250 IonicContact CZ-OD2 3.79Å; R138-D250 PolarHBondContact N-OD2 3.47Å; R138-D250 VanDerWaalsContact N-OD2 3.14Å; R138-D250 IonicContact NE-OD1 3.68Å; R138-D250 PolarHBondContact NE-OD1 3.06Å; R138-D250 IonicContact NE-OD2 2.67Å; R138-D250 PolarHBondContact NE-OD2 3.39Å; R138-D250 IonicContact NH2-OD1 2.76Å; R138-D250 PolarHBondContact NH2-OD1 3.37Å; R138-D250 IonicContact NH2-OD2 3.81Å |
| 139 | E | 82.5 | Confident | 78.3 | Confident | 44 Ų | 44 | 43 Ų | 43 | 21% | 0.206 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -66.2 | -27.9 | 179.9 | -167.1 | 60 | -151 | 0 | 0 | 111.9 | N137 S141 R142 A143 I244 I245 | N137-E139 PolarHBondContact O-N 2.75Å; N137-E139 VanDerWaalsContact O-N 3.14Å; N137-E139 WeakPolarHBondContact OD1-CB 3.28Å; N137-E139 PolarHBondContact OD1-N 3.15Å; N137-E139 VanDerWaalsContact OD1-N 3.11Å; E139-S141 VanDerWaalsContact C-N 3.31Å; E139-S141 PolarHBondContact O-N 3.27Å; E139-R142 PolarHBondContact O-N 2.84Å; E139-R142 WeakPolarHBondContact OE2-CD 3.27Å; E139-A143 WeakPolarHBondContact O-CB 3.44Å; E139-A143 PolarHBondContact O-N 2.9Å; E139-I244 HydrophobicContact CG-CG2 3.87Å; E139-I245 WeakPolarHBondContact CG-O 3.38Å |
| 140 | I | 85.1 | Confident | 75.8 | Confident | 7 Ų | 7 | 46.3 Ų | 46.3 | 4% | 0.036 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -62.4 | -42.7 | 174.8 | -53.7 | 168.9 | 0 | 0 | 0 | 110.3 | V135 N137 R138 R142 A143 A144 L164 V183 L184 I231 V234 | V135-I140 HydrophobicContact CG1-CB 4.25Å; V135-I140 HydrophobicContact CG1-CD1 4.2Å; N137-I140 HydrophobicContact CB-CD1 4.17Å; N137-I140 HydrophobicContact CB-CG1 4.26Å; N137-I140 WeakPolarHBondContact O-CB 3.36Å; N137-I140 WeakPolarHBondContact O-CG1 3.26Å; N137-I140 PolarHBondContact O-N 3.11Å; N137-I140 VanDerWaalsContact O-N 3.15Å; R138-I140 PolarHBondContact O-N 2.95Å; I140-R142 VanDerWaalsContact C-N 3.32Å; I140-R142 PolarHBondContact O-N 2.81Å; I140-A143 PolarHBondContact O-N 3.43Å; I140-A144 VanDerWaalsContact O-CB 3.26Å; I140-A144 WeakPolarHBondContact O-CB 3.35Å; I140-A144 PolarHBondContact O-N 3.18Å; I140-L164 HydrophobicContact CG2-CD1 3.95Å; I140-V183 HydrophobicContact CD1-CB 4.18Å; I140-V183 HydrophobicContact CD1-CG1 3.1Å; I140-V183 WeakPolarHBondContact CD1-O 3.31Å; I140-V183 HydrophobicContact CG1-CG1 3.82Å; I140-L184 HydrophobicContact CD1-CD2 3.99Å; I140-L184 HydrophobicContact CD1-CG 4.49Å; I140-I231 HydrophobicContact CG2-CD1 4.42Å; I140-V234 HydrophobicContact CB-CG1 4.48Å; I140-V234 HydrophobicContact CG2-CG1 3.97Å |
| 141 | S | 83.5 | Confident | 73.2 | Confident | 7 Ų | 7 | 51.1 Ų | 51.1 | 5% | 0.049 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -64.5 | -39.4 | 178.8 | -52.3 | 0 | 0 | 0 | 0 | 111.5 | R138 E139 K146 A163 | R138-S141 WeakPolarHBondContact O-CB 3.46Å; R138-S141 PolarHBondContact O-N 3.34Å; E139-S141 VanDerWaalsContact C-N 3.31Å; E139-S141 PolarHBondContact O-N 3.27Å; S141-K146 PolarHBondContact O-N 2.83Å; S141-K146 VanDerWaalsContact O-N 3.11Å; S141-A163 WeakPolarHBondContact OG-CB 3.14Å |
| 142 | R | 81.4 | Confident | 70.7 | Confident | 161 Ų | 161 | 58 Ų | 58 | 61% | 0.608 | 34% | 0.339 | S | S | * | . | H | α-helix | trans | -65.7 | -49.4 | 175.4 | -68.9 | -177.2 | 174.7 | -156.5 | -1.7 | 111.3 | R138 E139 I140 A144 G145 | R138-R142 PolarHBondContact O-N 3.14Å; E139-R142 PolarHBondContact O-N 2.84Å; E139-R142 WeakPolarHBondContact OE2-CD 3.27Å; I140-R142 VanDerWaalsContact C-N 3.32Å; I140-R142 PolarHBondContact O-N 2.81Å; R142-A144 VanDerWaalsContact C-N 3.26Å; R142-A144 PolarHBondContact O-N 3.27Å; R142-G145 PolarHBondContact O-N 2.89Å |
| 143 | A | 78.9 | Confident | 68.4 | Low | 28 Ų | 28 | 65 Ų | 65 | 23% | 0.231 | 37% | 0.367 | C | S | . | . | H | α-helix | trans | -62.4 | -32.9 | 178.1 | 0 | 0 | 0 | 0 | 0 | 112.5 | E139 I140 G145 V234 I244 | E139-A143 WeakPolarHBondContact O-CB 3.44Å; E139-A143 PolarHBondContact O-N 2.9Å; I140-A143 PolarHBondContact O-N 3.43Å; A143-G145 PolarHBondContact O-N 3.43Å; A143-V234 HydrophobicContact CB-CB 4.49Å; A143-V234 HydrophobicContact CB-CG1 3.98Å; A143-V234 HydrophobicContact CB-CG2 3.8Å; A143-I244 HydrophobicContact CB-CD1 3.69Å; A143-I244 HydrophobicContact CB-CG1 4.24Å |
| 144 | A | 76.6 | Confident | 66 | Low | 17 Ų | 17 | 68.7 Ų | 68.7 | 14% | 0.14 | 39% | 0.387 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -73.8 | 0.8 | 173.9 | 0 | 0 | 0 | 0 | 0 | 114.1 | I140 R142 K146 L164 K230 V234 | I140-A144 VanDerWaalsContact O-CB 3.26Å; I140-A144 WeakPolarHBondContact O-CB 3.35Å; I140-A144 PolarHBondContact O-N 3.18Å; R142-A144 VanDerWaalsContact C-N 3.26Å; R142-A144 PolarHBondContact O-N 3.27Å; A144-K146 VanDerWaalsContact C-N 3.25Å; A144-K146 PolarHBondContact O-N 3.48Å; A144-L164 HydrophobicContact CB-CD1 3.88Å; A144-L164 HydrophobicContact CB-CD2 3.85Å; A144-L164 HydrophobicContact CB-CG 4.42Å; A144-K230 HydrophobicContact CB-CB 4.26Å; A144-V234 HydrophobicContact CB-CG2 3.91Å |
| 145 | G | 69.7 | Low | 64 | Low | 63 Ų | 63 | 78.8 Ų | 78.8 | 65% | 0.649 | 43% | 0.433 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 73 | 14 | 178.7 | 0 | 0 | 0 | 0 | 0 | 114.2 | R142 A143 V147 | R142-G145 PolarHBondContact O-N 2.89Å; A143-G145 PolarHBondContact O-N 3.43Å; G145-V147 PolarHBondContact O-N 3.47Å |
| 146 | K | 66.6 | Low | 61.6 | Low | 66 Ų | 66 | 83.4 Ų | 83.4 | 29% | 0.287 | 47% | 0.466 | S | S | . | . | trans | -93.6 | 74.9 | 175 | -80.5 | -166.4 | 156.5 | 179.7 | 0 | 110.1 | S141 A144 A163 L164 E227 | S141-K146 PolarHBondContact O-N 2.83Å; S141-K146 VanDerWaalsContact O-N 3.11Å; A144-K146 VanDerWaalsContact C-N 3.25Å; A144-K146 PolarHBondContact O-N 3.48Å; K146-A163 WeakPolarHBondContact CD-O 3.39Å; K146-A163 WeakPolarHBondContact CE-O 3.35Å; K146-A163 PolarHBondContact NZ-O 3.02Å; K146-L164 HydrophobicContact CD-CD2 3.95Å; K146-L164 HydrophobicContact CD-CG 4.37Å; K146-E227 WeakPolarHBondContact CE-OE1 3.41Å; K146-E227 IonicContact NZ-OE1 3Å; K146-E227 PolarHBondContact NZ-OE1 2.95Å; K146-E227 IonicContact NZ-OE2 2.75Å; K146-E227 PolarHBondContact NZ-OE2 3.18Å | ||
| 147 | V | 52.8 | Low | 59.5 | Low | 106 Ų | 106 | 86.6 Ų | 86.6 | 64% | 0.642 | 49% | 0.485 | S | S | * | . | trans | -84.3 | 112.9 | 162.3 | -172.5 | 0 | 0 | 0 | 0 | 106.2 | G145 T149 | G145-V147 PolarHBondContact O-N 3.47Å; V147-T149 VanDerWaalsContact C-N 3.29Å; V147-T149 PolarHBondContact O-N 3.38Å | ||
| 148 | V | 48 | Very low | 57.7 | Low | 93 Ų | 93 | 89.2 Ų | 89.2 | 56% | 0.564 | 51% | 0.513 | S | S | * | . | trans | -70 | 93.7 | 172.1 | -179.9 | 0 | 0 | 0 | 0 | 107 | G150 | V148-G150 PolarHBondContact O-N 2.94Š| ||
| 149 | T | 38.2 | Very low | 56.3 | Low | 134 Ų | 134 | 87.3 Ų | 87.3 | 82% | 0.822 | 51% | 0.508 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.2 | 100.4 | 168.1 | 46.7 | 0 | 0 | 0 | 0 | 108.1 | V147 | V147-T149 VanDerWaalsContact C-N 3.29Å; V147-T149 PolarHBondContact O-N 3.38Å |
| 150 | G | 39 | Very low | 55.3 | Low | 70 Ų | 70 | 89.3 Ų | 89.3 | 72% | 0.722 | 52% | 0.52 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 165.5 | -8.8 | 176.5 | 0 | 0 | 0 | 0 | 0 | 117.3 | V148 | V148-G150 PolarHBondContact O-N 2.94Š|
| 151 | I | 37.9 | Very low | 54.1 | Low | 119 Ų | 119 | 90 Ų | 90 | 61% | 0.61 | 53% | 0.527 | S | S | * | . | S | Bend | trans | -121.8 | 125.1 | 171.5 | -53 | 175.8 | 0 | 0 | 0 | 106.9 | V157 | I151-V157 HydrophobicContact CG2-CG2 4.42Š|
| 152 | I | 36.9 | Very low | 53.4 | Low | 146 Ų | 146 | 97.1 Ų | 97.1 | 75% | 0.749 | 56% | 0.559 | S | S | * | * | trans | -44.3 | 147.3 | 176.1 | -63.5 | 156.4 | 0 | 0 | 0 | 109.6 | D154 | I152-D154 PolarHBondContact O-N 3.28Š| ||
| 153 | E | 40.3 | Very low | 52.8 | Low | 195 Ų | 195 | 90.1 Ų | 90.1 | 91% | 0.911 | 54% | 0.536 | S | S | * | . | trans | -54.4 | 75.2 | 169.2 | -64.6 | 174.8 | 154 | 0 | 0 | 111.3 | ||||
| 154 | D | 36.5 | Very low | 53 | Low | 108 Ų | 108 | 88.8 Ų | 88.8 | 58% | 0.578 | 53% | 0.525 | S | S | * | . | trans | -105.9 | 115.2 | 161.6 | -98.5 | -25.9 | 0 | 0 | 0 | 106.9 | I152 S156 V157 | I152-D154 PolarHBondContact O-N 3.28Å; D154-S156 PolarHBondContact O-N 2.97Å; D154-V157 HydrophobicContact CB-CG2 4.39Å | ||
| 155 | E | 42 | Very low | 53.6 | Low | 211 Ų | 211 | 89.7 Ų | 89.7 | 99% | 0.986 | 53% | 0.528 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.5 | 14.3 | 174.1 | -63.9 | -170.8 | 142.8 | 0 | 0 | 113.5 | ||
| 156 | S | 40.2 | Very low | 54.7 | Low | 99 Ų | 99 | 86.7 Ų | 86.7 | 69% | 0.692 | 50% | 0.497 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -121.1 | 8.9 | -172.7 | 75.5 | 0 | 0 | 0 | 0 | 115.5 | D154 | D154-S156 PolarHBondContact O-N 2.97Š|
| 157 | V | 41.8 | Very low | 56 | Low | 73 Ų | 73 | 83.5 Ų | 83.5 | 44% | 0.442 | 48% | 0.484 | S | S | . | . | P | Polyproline II helix | trans | -93.9 | 126.9 | 179.6 | -167.3 | 0 | 0 | 0 | 0 | 110.3 | I151 D154 | I151-V157 HydrophobicContact CG2-CG2 4.42Å; D154-V157 HydrophobicContact CB-CG2 4.39Å |
| 158 | G | 49.6 | Very low | 58 | Low | 56 Ų | 56 | 78.5 Ų | 78.5 | 58% | 0.577 | 45% | 0.453 | S | S | * | . | P | Polyproline II helix | trans | -53 | 167.5 | -174.6 | 0 | 0 | 0 | 0 | 0 | 115.3 | N160 | G158-N160 PolarHBondContact O-N 2.69Š|
| 159 | N | 55 | Low | 60.2 | Low | 30 Ų | 30 | 74 Ų | 74 | 16% | 0.16 | 43% | 0.426 | C | S | . | . | P | Polyproline II helix | trans | -55.6 | 125 | -178.7 | -159.7 | -1.4 | 0 | 0 | 0 | 110.6 | L136 R138 A161 | L136-N159 PolarHBondContact O-ND2 3.34Å; R138-N159 WeakPolarHBondContact CB-OD1 3.49Å; N159-A161 PolarHBondContact O-N 2.96Å |
| 160 | N | 60.5 | Low | 62.9 | Low | 87 Ų | 87 | 70.1 Ų | 70.1 | 47% | 0.465 | 40% | 0.397 | S | S | . | . | trans | -78.2 | 62.9 | -179.2 | -78.5 | -26.8 | 0 | 0 | 0 | 110.4 | G158 Q162 A163 | G158-N160 PolarHBondContact O-N 2.69Å; N160-Q162 PolarHBondContact O-N 3.11Å; N160-A163 HydrophobicContact CB-CB 4.31Å; N160-A163 VanDerWaalsContact O-CB 3.27Å; N160-A163 WeakPolarHBondContact O-CB 2.95Å; N160-A163 PolarHBondContact O-N 3.21Å | ||
| 161 | A | 61.6 | Low | 65.5 | Low | 21 Ų | 21 | 66.8 Ų | 66.8 | 17% | 0.174 | 36% | 0.362 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -54.8 | -27 | -177.5 | 0 | 0 | 0 | 0 | 0 | 112.8 | N133 V135 N159 | N133-A161 CarbonylContact C-O 3.56Å; N133-A161 WeakPolarHBondContact CA-O 3.02Å; V135-A161 PolarHBondContact N-O 2.82Å; N159-A161 PolarHBondContact O-N 2.96Å |
| 162 | Q | 68.3 | Low | 68.2 | Low | 156 Ų | 156 | 61.1 Ų | 61.1 | 73% | 0.729 | 33% | 0.333 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84.3 | 4.9 | 179.2 | -66.8 | -173.7 | -7.7 | 0 | 0 | 115.4 | S132 N133 N160 L164 | S132-Q162 WeakPolarHBondContact O-CA 3.34Å; N133-Q162 HydrophobicContact CB-CG 3.88Å; N160-Q162 PolarHBondContact O-N 3.11Å; Q162-L164 PolarHBondContact O-N 3.27Å |
| 163 | A | 69.2 | Low | 71 | Confident | 14 Ų | 14 | 54.1 Ų | 54.1 | 12% | 0.116 | 30% | 0.298 | C | S | . | . | S | Bend | trans | -66 | -35 | -172.3 | 0 | 0 | 0 | 0 | 0 | 113.5 | S141 K146 N160 | S141-A163 WeakPolarHBondContact OG-CB 3.14Å; K146-A163 WeakPolarHBondContact CD-O 3.39Å; K146-A163 WeakPolarHBondContact CE-O 3.35Å; K146-A163 PolarHBondContact NZ-O 3.02Å; N160-A163 HydrophobicContact CB-CB 4.31Å; N160-A163 VanDerWaalsContact O-CB 3.27Å; N160-A163 WeakPolarHBondContact O-CB 2.95Å; N160-A163 PolarHBondContact O-N 3.21Å |
| 164 | L | 82.9 | Confident | 73.5 | Confident | 0 Ų | 0 | 44.9 Ų | 44.9 | 0% | 0 | 25% | 0.254 | C | S | . | . | trans | -123.2 | 131.8 | -172.7 | -72.7 | 157.1 | 0 | 0 | 0 | 111.1 | V135 I140 A144 K146 Q162 E227 K230 I231 | V135-L164 HydrophobicContact CG2-CB 3.83Å; V135-L164 HydrophobicContact CG2-CD1 3.99Å; V135-L164 HydrophobicContact CG2-CG 4.39Å; I140-L164 HydrophobicContact CG2-CD1 3.95Å; A144-L164 HydrophobicContact CB-CD1 3.88Å; A144-L164 HydrophobicContact CB-CD2 3.85Å; A144-L164 HydrophobicContact CB-CG 4.42Å; K146-L164 HydrophobicContact CD-CD2 3.95Å; K146-L164 HydrophobicContact CD-CG 4.37Å; Q162-L164 PolarHBondContact O-N 3.27Å; L164-E227 WeakPolarHBondContact CA-OE2 3.5Å; L164-E227 HydrophobicContact CD2-CB 4.39Å; L164-E227 WeakPolarHBondContact CD2-OE2 3.37Å; L164-K230 HydrophobicContact CD2-CB 4.45Å; L164-K230 HydrophobicContact CD2-CD 4.24Å; L164-I231 HydrophobicContact CB-CD1 4.47Å; L164-I231 HydrophobicContact CD1-CD1 3.94Å | ||
| 165 | T | 89.3 | Confident | 76.2 | Confident | 36 Ų | 36 | 41.5 Ų | 41.5 | 22% | 0.221 | 24% | 0.239 | C | C | . | . | trans | -110.7 | 119.8 | 175.4 | -57.9 | 0 | 0 | 0 | 0 | 109.6 | L130 V131 E227 | L130-T165 HydrophobicContact CD1-CG2 3.72Å; L130-T165 HydrophobicContact CD2-CG2 4.32Å; L130-T165 HydrophobicContact CG-CG2 4.06Å; V131-T165 WeakPolarHBondContact O-CA 3.35Å; T165-E227 PolarHBondContact N-OE2 2.84Å; T165-E227 VanDerWaalsContact N-OE2 3.14Å; T165-E227 VanDerWaalsContact O-CB 3.31Å; T165-E227 WeakPolarHBondContact O-CB 3.33Å; T165-E227 PolarHBondContact O-N 3.43Å; T165-E227 VanDerWaalsContact O-N 3.13Å | ||
| 166 | F | 92.5 | Very high | 78.6 | Confident | 0 Ų | 0 | 32.8 Ų | 32.8 | 0% | 0 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.1 | 154.2 | -177.2 | 63.8 | -90.5 | 0 | 0 | 0 | 111.8 | V131 L184 M217 N228 I231 | V131-F166 HydrophobicContact CB-CD1 4.47Å; V131-F166 HydrophobicContact CB-CD2 4.25Å; V131-F166 HydrophobicContact CB-CE1 4.05Å; V131-F166 HydrophobicContact CB-CE2 3.81Å; V131-F166 HydrophobicContact CB-CZ 3.71Å; V131-F166 HydrophobicContact CG1-CE1 3.96Å; V131-F166 HydrophobicContact CG1-CE2 4.3Å; V131-F166 HydrophobicContact CG1-CZ 3.69Å; V131-F166 HydrophobicContact CG2-CE2 3.99Å; V131-F166 HydrophobicContact CG2-CZ 4.22Å; V131-F166 PolarHBondContact N-O 3.14Å; V131-F166 PolarHBondContact O-N 3.14Å; F166-L184 HydrophobicContact CE1-CD1 4.43Å; F166-L184 HydrophobicContact CE1-CD2 4.12Å; F166-L184 HydrophobicContact CZ-CB 4.33Å; F166-L184 HydrophobicContact CZ-CD1 4.2Å; F166-L184 HydrophobicContact CZ-CD2 4.41Å; F166-M217 HydrophobicContact CB-CE 3.96Å; F166-M217 HydrophobicContact CD2-CE 3.47Å; F166-M217 VanDerWaalsContact CD2-CE 3.47Å; F166-M217 HydrophobicContact CD2-SD 4.37Å; F166-M217 HydrophobicContact CE2-CE 4.19Å; F166-M217 HydrophobicContact CG-CE 3.9Å; F166-N228 WeakPolarHBondContact CA-OD1 2.99Å; F166-N228 VanDerWaalsContact CB-OD1 3.27Å; F166-N228 WeakPolarHBondContact CB-OD1 2.9Å; F166-I231 HydrophobicContact CB-CG1 4.17Å; F166-I231 HydrophobicContact CD1-CD1 4.41Å; F166-I231 HydrophobicContact CD1-CG1 4.43Å; F166-I231 HydrophobicContact CG-CG1 4.39Å |
| 167 | V | 93.7 | Very high | 81 | Confident | 0 Ų | 0 | 34.2 Ų | 34.2 | 0% | 0 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94 | 127.1 | 174.1 | -168.8 | 0 | 0 | 0 | 0 | 108.6 | Y123 L130 P169 Y222 K225 E226 N228 | Y123-V167 HydrophobicContact CD2-CG1 4.5Å; Y123-V167 HydrophobicContact CE2-CG1 4.18Å; Y123-V167 HydrophobicContact CE2-CG2 3.64Å; Y123-V167 WeakPolarHBondContact OH-CG2 3.43Å; L130-V167 HydrophobicContact CD1-CG2 3.91Å; V167-P169 VanDerWaalsContact C-CD 3.45Å; V167-P169 WeakPolarHBondContact O-CD 3.37Å; V167-Y222 HydrophobicContact CG1-CD1 4.13Å; V167-K225 HydrophobicContact CG2-CB 4.5Å; V167-E226 HydrophobicContact CG2-CB 4.21Å; V167-E226 HydrophobicContact CG2-CG 3.49Å; V167-E226 VanDerWaalsContact CG2-CG 3.49Å; V167-N228 PolarHBondContact N-OD1 3.41Å; V167-N228 PolarHBondContact O-ND2 3.13Å |
| 168 | Y | 94.9 | Very high | 83.1 | Confident | 0 Ų | 0 | 37.2 Ų | 37.2 | 0% | 0 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.7 | 82.4 | 175.5 | -168.3 | -108.7 | 0 | 0 | 0 | 110.6 | V115 A129 G171 A172 V197 G213 S214 M217 | V115-Y168 HydrophobicContact CB-CD1 4.02Å; V115-Y168 HydrophobicContact CB-CE1 4.09Å; V115-Y168 HydrophobicContact CG1-CD1 4.25Å; V115-Y168 HydrophobicContact CG2-CD1 4.1Å; V115-Y168 HydrophobicContact CG2-CE1 3.72Å; A129-Y168 PolarHBondContact N-O 3.36Å; A129-Y168 PolarHBondContact O-N 3.25Å; Y168-G171 VanDerWaalsContact CE1-CA 3.46Å; Y168-A172 PolarHBondContact OH-O 3.37Å; Y168-V197 HydrophobicContact CD1-CG1 4.26Å; Y168-V197 HydrophobicContact CD2-CB 4.41Å; Y168-V197 HydrophobicContact CE1-CB 4.22Å; Y168-V197 HydrophobicContact CE1-CG1 3.74Å; Y168-V197 HydrophobicContact CE2-CB 3.79Å; Y168-V197 HydrophobicContact CE2-CG1 4.22Å; Y168-V197 HydrophobicContact CE2-CG2 4.33Å; Y168-G213 WeakPolarHBondContact OH-CA 3.18Å; Y168-G213 PolarHBondContact OH-N 2.9Å; Y168-G213 PolarHBondContact OH-O 2.9Å; Y168-S214 PolarHBondContact OH-N 3.11Å; Y168-M217 HydrophobicContact CD2-SD 4.05Å |
| 169 | P | 94.3 | Very high | 85 | Confident | 0 Ų | 0 | 38.2 Ų | 38.2 | 0% | 0 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.3 | 136.7 | -175.6 | 33 | -35.1 | 0 | 0 | 0 | 112.5 | K127 E128 V167 G171 S214 H216 Y222 | K127-P169 CarbonylContact O-C 3.53Å; K127-P169 WeakPolarHBondContact O-CA 3.36Å; E128-P169 HydrophobicContact CG-CB 4.36Å; V167-P169 VanDerWaalsContact C-CD 3.45Å; V167-P169 WeakPolarHBondContact O-CD 3.37Å; P169-G171 PolarHBondContact O-N 2.82Å; P169-S214 PolarHBondContact O-OG 3.37Å; P169-H216 HydrophobicContact CB-CB 4.2Å; P169-H216 HydrophobicContact CG-CB 3.67Å; P169-Y222 HydrophobicContact CB-CD1 4.22Å; P169-Y222 HydrophobicContact CB-CD2 4.16Å; P169-Y222 HydrophobicContact CB-CE1 3.96Å; P169-Y222 HydrophobicContact CB-CE2 3.91Å; P169-Y222 HydrophobicContact CB-CG 4.32Å; P169-Y222 HydrophobicContact CG-CD1 4.06Å; P169-Y222 HydrophobicContact CG-CD2 3.68Å; P169-Y222 HydrophobicContact CG-CE1 4.3Å; P169-Y222 HydrophobicContact CG-CE2 3.94Å; P169-Y222 HydrophobicContact CG-CG 3.75Å |
| 170 | Y | 94.4 | Very high | 86.6 | Confident | 51 Ų | 51 | 37.1 Ų | 37.1 | 20% | 0.2 | 20% | 0.196 | C | C | . | . | S | Bend | trans | 45.7 | 43.2 | 171.2 | -55.2 | -79.9 | 0 | 0 | 0 | 113.6 | E89 H125 K127 E128 | E89-Y170 PolarHBondContact N-O 3.1Å; H125-Y170 AromaticContact CD2-CE1 3.7Å; H125-Y170 AromaticContact CD2-CZ 3.79Å; H125-Y170 PolarHBondContact CD2-OH 2.81Å; H125-Y170 AromaticContact CE1-CE1 3.95Å; H125-Y170 AromaticContact NE2-CE1 3.67Å; K127-Y170 HydrophobicContact CB-CD1 3.85Å; K127-Y170 HydrophobicContact CB-CE1 4.08Å; K127-Y170 HydrophobicContact CB-CG 4.48Å; K127-Y170 HydrophobicContact CD-CD1 3.92Å; K127-Y170 HydrophobicContact CD-CE1 4.25Å; K127-Y170 PolarHBondContact O-N 3.07Å; E128-Y170 HydrophobicContact CG-CE2 4.28Å |
| 171 | G | 94 | Very high | 88.1 | Confident | 0 Ų | 0 | 34.2 Ų | 34.2 | 0% | 0 | 18% | 0.181 | C | C | . | . | trans | -105.6 | 154.4 | -177.7 | 0 | 0 | 0 | 0 | 0 | 113.2 | V115 Y168 P169 G213 | V115-G171 PolarHBondContact N-O 3.12Å; Y168-G171 VanDerWaalsContact CE1-CA 3.46Å; P169-G171 PolarHBondContact O-N 2.82Å; G171-G213 CarbonylContact C-O 3.51Å; G171-G213 WeakPolarHBondContact CA-O 3.16Å | ||
| 172 | A | 94.6 | Very high | 89.6 | Confident | 0 Ų | 0 | 33.3 Ų | 33.3 | 0% | 0 | 17% | 0.174 | C | C | . | . | trans | -93.6 | 166.5 | 168.1 | 0 | 0 | 0 | 0 | 0 | 110.7 | G88 V110 N111 D113 Y168 G213 | G88-A172 WeakPolarHBondContact O-CB 3.22Å; V110-A172 HydrophobicContact CG1-CB 3.94Å; N111-A172 WeakPolarHBondContact O-CB 3.34Å; D113-A172 WeakPolarHBondContact OD1-CA 3.38Å; Y168-A172 PolarHBondContact OH-O 3.37Å; A172-G213 PolarHBondContact N-O 2.97Å | ||
| 173 | T | 94.9 | Very high | 90.6 | Very high | 0 Ų | 0 | 25.9 Ų | 25.9 | 0% | 0 | 14% | 0.139 | C | C | . | . | trans | -90.3 | 164.7 | 168.4 | 68.9 | 0 | 0 | 0 | 0 | 111.6 | N111 D113 V115 T186 P192 R195 P196 | N111-T173 WeakPolarHBondContact CB-O 3.31Å; N111-T173 PolarHBondContact N-O 2.8Å; N111-T173 PolarHBondContact ND2-OG1 2.89Å; D113-T173 PolarHBondContact OD1-N 3.43Å; D113-T173 PolarHBondContact OD1-OG1 3.27Å; D113-T173 WeakPolarHBondContact OD2-CB 3.36Å; D113-T173 WeakPolarHBondContact OD2-CG2 3.47Å; D113-T173 PolarHBondContact OD2-OG1 3.34Å; V115-T173 HydrophobicContact CG2-CG2 3.55Å; T173-T186 HydrophobicContact CG2-CG2 3.9Å; T173-P192 HydrophobicContact CG2-CG 3.62Å; T173-R195 HydrophobicContact CG2-CB 3.73Å; T173-R195 HydrophobicContact CG2-CG 4.47Å; T173-P196 CarbonylContact C-O 3.52Å; T173-P196 WeakPolarHBondContact CA-O 3.36Å | ||
| 174 | L | 94.4 | Very high | 91.8 | Very high | 0 Ų | 0 | 25.3 Ų | 25.3 | 0% | 0 | 13% | 0.134 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.8 | 141.7 | 177 | -52.1 | 179.3 | 0 | 0 | 0 | 109.8 | M109 V110 V176 P196 V197 A199 V211 | M109-L174 CarbonylContact O-C 3.57Å; M109-L174 WeakPolarHBondContact O-CA 3.41Å; V110-L174 HydrophobicContact CB-CD2 4.12Å; V110-L174 HydrophobicContact CG1-CD2 4.14Å; V110-L174 HydrophobicContact CG2-CD2 3.65Å; L174-V176 HydrophobicContact CB-CG2 4Å; L174-P196 HydrophobicContact CB-CB 4.18Å; L174-P196 PolarHBondContact N-O 2.87Å; L174-P196 WeakPolarHBondContact O-CD 3.3Å; L174-V197 WeakPolarHBondContact CD1-O 3.36Å; L174-A199 HydrophobicContact CD1-CB 3.99Å; L174-V211 HydrophobicContact CD1-CB 4.36Å; L174-V211 HydrophobicContact CD1-CG1 4.13Å; L174-V211 WeakPolarHBondContact CD1-O 3.32Å; L174-V211 HydrophobicContact CD2-CG1 4.03Å |
| 175 | S | 92.9 | Very high | 92.2 | Very high | 37 Ų | 37 | 25.4 Ų | 25.4 | 26% | 0.259 | 14% | 0.135 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.5 | 119.7 | 163.9 | -64.9 | 0 | 0 | 0 | 0 | 107.5 | I108 M109 N111 | I108-S175 CarbonylContact C-O 3.59Å; I108-S175 WeakPolarHBondContact CA-O 3.45Å; M109-S175 PolarHBondContact N-O 2.76Å; M109-S175 PolarHBondContact O-N 2.95Å; N111-S175 PolarHBondContact ND2-OG 2.77Å; N111-S175 PolarHBondContact OD1-OG 2.86Å |
| 176 | V | 92.1 | Very high | 92.4 | Very high | 28 Ų | 28 | 23.7 Ų | 23.7 | 17% | 0.17 | 13% | 0.125 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.6 | 129.3 | -172.6 | -172.9 | 0 | 0 | 0 | 0 | 108.7 | G107 L174 A180 A182 P196 A199 | G107-V176 CarbonylContact O-C 3.57Å; G107-V176 WeakPolarHBondContact O-CA 3.45Å; L174-V176 HydrophobicContact CB-CG2 4Å; V176-A180 HydrophobicContact CG1-CB 3.75Å; V176-A182 HydrophobicContact CB-CB 4.32Å; V176-A182 HydrophobicContact CG1-CB 4.36Å; V176-A182 HydrophobicContact CG2-CB 4.3Å; V176-P196 HydrophobicContact CG2-CB 3.78Å; V176-P196 HydrophobicContact CG2-CG 4.11Å; V176-A199 HydrophobicContact CG1-CB 4.16Å; V176-A199 HydrophobicContact CG2-CB 3.59Å |
| 177 | M | 90.1 | Very high | 92.2 | Very high | 129 Ų | 129 | 23.7 Ų | 23.7 | 64% | 0.635 | 13% | 0.125 | S | C | * | . | trans | -132.7 | 156.8 | 175.4 | 59.4 | 179.7 | -78.4 | 0 | 0 | 109.8 | G107 A180 | G107-M177 VanDerWaalsContact CA-CG 3.46Å; G107-M177 WeakPolarHBondContact O-CG 3.45Å; G107-M177 PolarHBondContact O-N 3.31Å; M177-A180 PolarHBondContact O-N 3.04Å | ||
| 178 | K | 86.8 | Confident | 91.8 | Very high | 136 Ų | 136 | 26.7 Ų | 26.7 | 59% | 0.591 | 15% | 0.145 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -57 | 132.5 | 174.9 | -67.8 | -169.6 | 179.2 | -177.2 | 0 | 108.9 | ||
| 179 | P | 87.9 | Confident | 91.4 | Very high | 78 Ų | 78 | 29.5 Ų | 29.5 | 51% | 0.506 | 16% | 0.162 | S | C | . | . | T | Hydrogen-bonded Turn | cis | -90.6 | -2.8 | 22.4 | 36 | -38.8 | 0 | 0 | 0 | 117.1 | Y201 | P179-Y201 HydrophobicContact CB-CD2 4.17Å; P179-Y201 HydrophobicContact CB-CE2 3.75Å; P179-Y201 HydrophobicContact CG-CD2 3.88Å; P179-Y201 HydrophobicContact CG-CE2 3.39Å |
| 180 | A | 90.5 | Very high | 91.2 | Very high | 6 Ų | 6 | 29.5 Ų | 29.5 | 5% | 0.05 | 16% | 0.162 | C | C | . | . | S | Bend | trans | -77.7 | 156.6 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.7 | F106 I108 V176 M177 | F106-A180 WeakPolarHBondContact O-CB 3.01Å; I108-A180 HydrophobicContact CD1-CB 3.73Å; I108-A180 HydrophobicContact CG1-CB 3.34Å; V176-A180 HydrophobicContact CG1-CB 3.75Å; M177-A180 PolarHBondContact O-N 3.04Å |
| 181 | V | 91.3 | Very high | 90.9 | Very high | 26 Ų | 26 | 30.1 Ų | 30.1 | 16% | 0.158 | 17% | 0.166 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.5 | 130.4 | -177.8 | 178.3 | 0 | 0 | 0 | 0 | 109.5 | V183 A199 F200 L246 A251 | V181-V183 HydrophobicContact CG1-CG2 4.38Å; V181-A199 CarbonylContact O-C 3.55Å; V181-A199 VanDerWaalsContact O-CA 3.31Å; V181-A199 WeakPolarHBondContact O-CA 3.04Å; V181-F200 PolarHBondContact N-O 3.29Å; V181-F200 PolarHBondContact O-N 2.83Å; V181-L246 HydrophobicContact CB-CD1 4.41Å; V181-L246 HydrophobicContact CG1-CD1 4.34Å; V181-A251 HydrophobicContact CB-CB 4.39Å; V181-A251 HydrophobicContact CG1-CB 3.56Å; V181-A251 HydrophobicContact CG2-CB 3.86Å |
| 182 | A | 92 | Very high | 90.8 | Very high | 2 Ų | 2 | 30.6 Ų | 30.6 | 2% | 0.017 | 17% | 0.169 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.5 | 134.4 | 173.4 | 0 | 0 | 0 | 0 | 0 | 110.5 | L136 V176 P196 P254 | L136-A182 HydrophobicContact CD1-CB 3.69Å; V176-A182 HydrophobicContact CB-CB 4.32Å; V176-A182 HydrophobicContact CG1-CB 4.36Å; V176-A182 HydrophobicContact CG2-CB 4.3Å; A182-P196 HydrophobicContact CB-CB 3.95Å; A182-P196 HydrophobicContact CB-CG 3.91Å; A182-P254 HydrophobicContact CB-CB 4.49Å |
| 183 | V | 91.1 | Very high | 90.5 | Very high | 1 Ų | 1 | 34 Ų | 34 | 1% | 0.006 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.8 | -39.6 | -164.4 | 169.4 | 0 | 0 | 0 | 0 | 110.8 | L136 I140 V181 L198 F200 | L136-V183 WeakPolarHBondContact CB-O 3.33Å; L136-V183 PolarHBondContact N-O 3.47Å; I140-V183 HydrophobicContact CD1-CB 4.18Å; I140-V183 HydrophobicContact CD1-CG1 3.1Å; I140-V183 WeakPolarHBondContact CD1-O 3.31Å; I140-V183 HydrophobicContact CG1-CG1 3.82Å; V181-V183 HydrophobicContact CG1-CG2 4.38Å; V183-L198 HydrophobicContact CB-CG 4.41Å; V183-L198 HydrophobicContact CG1-CD2 4.04Å; V183-L198 HydrophobicContact CG1-CG 4.41Å; V183-L198 PolarHBondContact N-O 2.78Å; V183-F200 HydrophobicContact CB-CD2 4.35Å; V183-F200 HydrophobicContact CB-CE2 4.49Å; V183-F200 HydrophobicContact CG1-CD2 4.02Å; V183-F200 HydrophobicContact CG1-CE2 3.71Å; V183-F200 HydrophobicContact CG1-CZ 4.03Å; V183-F200 HydrophobicContact CG2-CB 3.93Å; V183-F200 HydrophobicContact CG2-CD1 4.49Å; V183-F200 HydrophobicContact CG2-CD2 3.57Å; V183-F200 HydrophobicContact CG2-CE2 4.14Å; V183-F200 HydrophobicContact CG2-CG 3.75Å |
| 184 | L | 92.4 | Very high | 90.3 | Very high | 1 Ų | 1 | 36.2 Ų | 36.2 | 1% | 0.005 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.9 | 151.5 | 168.5 | -60.9 | 173.3 | 0 | 0 | 0 | 110.8 | G134 V135 I140 F166 P196 V197 L198 I231 | G134-L184 CarbonylContact O-C 3.53Å; G134-L184 WeakPolarHBondContact O-CA 3.49Å; G134-L184 WeakPolarHBondContact O-CD2 3.45Å; V135-L184 HydrophobicContact CG2-CD2 4.15Å; I140-L184 HydrophobicContact CD1-CD2 3.99Å; I140-L184 HydrophobicContact CD1-CG 4.49Å; F166-L184 HydrophobicContact CE1-CD1 4.43Å; F166-L184 HydrophobicContact CE1-CD2 4.12Å; F166-L184 HydrophobicContact CZ-CB 4.33Å; F166-L184 HydrophobicContact CZ-CD1 4.2Å; F166-L184 HydrophobicContact CZ-CD2 4.41Å; L184-P196 CarbonylContact O-C 3.38Å; L184-P196 WeakPolarHBondContact O-CA 3.33Å; L184-V197 HydrophobicContact CB-CG2 3.58Å; L184-V197 PolarHBondContact O-N 3.32Å; L184-L198 HydrophobicContact CB-CB 3.82Å; L184-L198 HydrophobicContact CD1-CB 4Å; L184-L198 HydrophobicContact CD1-CD2 3.68Å; L184-L198 HydrophobicContact CG-CB 4.03Å; L184-L198 HydrophobicContact CG-CD2 3.98Å; L184-L198 PolarHBondContact N-O 3.44Å; L184-L198 PolarHBondContact O-N 3.43Å; L184-I231 HydrophobicContact CD1-CD1 4.31Å; L184-I231 HydrophobicContact CD1-CG2 3.85Å; L184-I231 HydrophobicContact CD2-CD1 4.4Å |
| 185 | S | 93.2 | Very high | 90.1 | Very high | 3 Ų | 3 | 37.2 Ų | 37.2 | 2% | 0.021 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.2 | 170.3 | 173.3 | 75.5 | 0 | 0 | 0 | 0 | 112.5 | G134 G187 R195 | G134-S185 WeakPolarHBondContact CA-O 3.27Å; G134-S185 PolarHBondContact O-N 2.99Å; S185-G187 PolarHBondContact O-N 3.35Å; S185-G187 PolarHBondContact OG-N 2.99Å; S185-R195 CarbonylContact C-O 3.56Å; S185-R195 WeakPolarHBondContact CA-O 3.42Å; S185-R195 WeakPolarHBondContact CB-O 3.4Å |
| 186 | T | 91.6 | Very high | 90.2 | Very high | 0 Ų | 0 | 35.5 Ų | 35.5 | 0% | 0 | 19% | 0.191 | C | C | . | . | trans | -69.2 | -10.7 | 171.5 | 52.3 | 0 | 0 | 0 | 0 | 113.6 | V115 T173 C190 P192 N194 R195 V197 | V115-T186 HydrophobicContact CB-CG2 4.35Å; V115-T186 HydrophobicContact CG1-CG2 3.77Å; V115-T186 HydrophobicContact CG2-CG2 3.56Å; T173-T186 HydrophobicContact CG2-CG2 3.9Å; T186-C190 WeakPolarHBondContact O-CB 3.36Å; T186-C190 PolarHBondContact O-SG 3.23Å; T186-P192 WeakPolarHBondContact CB-O 3.49Å; T186-P192 PolarHBondContact OG1-O 3.48Å; T186-N194 PolarHBondContact OG1-N 3.03Å; T186-N194 VanDerWaalsContact OG1-N 3.15Å; T186-R195 HydrophobicContact CG2-CB 4.4Å; T186-R195 PolarHBondContact N-O 3.45Å; T186-R195 PolarHBondContact OG1-N 2.97Å; T186-R195 PolarHBondContact OG1-O 3.45Å; T186-V197 HydrophobicContact CG2-CG1 3.42Å; T186-V197 VanDerWaalsContact CG2-CG1 3.42Å | ||
| 187 | G | 89.4 | Confident | 90.3 | Very high | 0 Ų | 0 | 34.3 Ų | 34.3 | 0% | 0 | 18% | 0.183 | C | C | . | . | trans | 65.8 | -169.6 | -175.8 | 0 | 0 | 0 | 0 | 0 | 113.8 | N133 S185 N194 | N133-G187 WeakPolarHBondContact OD1-CA 3.42Å; S185-G187 PolarHBondContact O-N 3.35Å; S185-G187 PolarHBondContact OG-N 2.99Å; G187-N194 PolarHBondContact O-N 3.02Å; G187-N194 PolarHBondContact O-OD1 3.26Å | ||
| 188 | S | 86.2 | Confident | 90.5 | Very high | 62 Ų | 62 | 28.3 Ų | 28.3 | 43% | 0.434 | 15% | 0.154 | S | C | . | . | S | Bend | trans | -92 | 0.1 | -172.8 | 69.3 | 0 | 0 | 0 | 0 | 114.4 | N133 L193 N194 | N133-S188 WeakPolarHBondContact ND2-CB 3.41Å; N133-S188 PolarHBondContact ND2-N 2.87Å; N133-S188 PolarHBondContact ND2-OG 2.91Å; N133-S188 PolarHBondContact OD1-N 2.74Å; S188-L193 WeakPolarHBondContact O-CD2 3.18Å; S188-N194 PolarHBondContact N-OD1 3.01Å |
| 189 | V | 86.3 | Confident | 90.8 | Very high | 59 Ų | 59 | 21.8 Ų | 21.8 | 36% | 0.358 | 13% | 0.126 | S | C | . | . | S | Bend | trans | -111.2 | -6.4 | -174.4 | -167 | 0 | 0 | 0 | 0 | 112.1 | N118 | N118-V189 WeakPolarHBondContact CB-O 3.27Å; N118-V189 PolarHBondContact N-O 3.3Å |
| 190 | C | 89.4 | Confident | 91.1 | Very high | 0 Ų | 0 | 18.3 Ų | 18.3 | 0% | 0 | 10% | 0.102 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.3 | 156 | 179.2 | -51.1 | 0 | 0 | 0 | 0 | 110.6 | V115 V116 A129 T186 P192 L193 | V115-C190 HydrophobicContact CG1-CB 3.78Å; V116-C190 CarbonylContact O-C 3.52Å; V116-C190 WeakPolarHBondContact O-CA 3.27Å; A129-C190 HydrophobicContact CB-CB 4.46Å; T186-C190 WeakPolarHBondContact O-CB 3.36Å; T186-C190 PolarHBondContact O-SG 3.23Å; C190-P192 CarbonylContact O-C 3.44Å; C190-L193 VanDerWaalsContact O-CA 3.25Å; C190-L193 WeakPolarHBondContact O-CA 3.43Å; C190-L193 WeakPolarHBondContact O-CD2 3.45Å; C190-L193 WeakPolarHBondContact O-CG 3.2Å; C190-L193 PolarHBondContact O-N 3.46Å |
| 191 | F | 88.8 | Confident | 91.1 | Very high | 65 Ų | 65 | 19.7 Ų | 19.7 | 29% | 0.285 | 11% | 0.107 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.3 | 132.1 | 174.3 | -172.3 | -89.9 | 0 | 0 | 0 | 110 | V115 V116 N118 L262 | V115-F191 WeakPolarHBondContact CA-O 3.5Å; V116-F191 HydrophobicContact CG2-CB 3.99Å; V116-F191 HydrophobicContact CG2-CD1 4.48Å; V116-F191 PolarHBondContact N-O 3.01Å; V116-F191 PolarHBondContact O-N 2.83Å; N118-F191 WeakPolarHBondContact OD1-CB 3.46Å; F191-L262 HydrophobicContact CD1-CD1 4.46Å; F191-L262 HydrophobicContact CE1-CD1 3.57Å; F191-L262 HydrophobicContact CE1-CG 4.27Å; F191-L262 HydrophobicContact CE2-CD1 3.74Å; F191-L262 HydrophobicContact CE2-CG 4.3Å; F191-L262 HydrophobicContact CZ-CD1 3.16Å; F191-L262 HydrophobicContact CZ-CG 3.59Å |
| 192 | P | 90.5 | Very high | 90.9 | Very high | 9 Ų | 9 | 23 Ų | 23 | 6% | 0.058 | 12% | 0.121 | C | C | . | . | S | Bend | cis | -69.1 | 143.8 | -3.7 | 31.9 | -38 | 0 | 0 | 0 | 112.2 | T173 T186 C190 R195 | T173-P192 HydrophobicContact CG2-CG 3.62Å; T186-P192 WeakPolarHBondContact CB-O 3.49Å; T186-P192 PolarHBondContact OG1-O 3.48Å; C190-P192 CarbonylContact O-C 3.44Å; P192-R195 HydrophobicContact CB-CG 3.74Å; P192-R195 HydrophobicContact CG-CB 4.21Å; P192-R195 HydrophobicContact CG-CG 3.7Å |
| 193 | L | 89.3 | Confident | 90.4 | Very high | 72 Ų | 72 | 23.9 Ų | 23.9 | 38% | 0.377 | 13% | 0.125 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -70.3 | 143.5 | -174.7 | -65.6 | 158.9 | 0 | 0 | 0 | 110.8 | S188 C190 R195 T257 | S188-L193 WeakPolarHBondContact O-CD2 3.18Å; C190-L193 VanDerWaalsContact O-CA 3.25Å; C190-L193 WeakPolarHBondContact O-CA 3.43Å; C190-L193 WeakPolarHBondContact O-CD2 3.45Å; C190-L193 WeakPolarHBondContact O-CG 3.2Å; C190-L193 PolarHBondContact O-N 3.46Å; L193-R195 PolarHBondContact O-N 2.98Å; L193-R195 VanDerWaalsContact O-N 3.07Å; L193-T257 PolarHBondContact O-OG1 3.11Å |
| 194 | N | 89.4 | Confident | 89.4 | Confident | 46 Ų | 46 | 33.5 Ų | 33.5 | 25% | 0.246 | 17% | 0.167 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 47 | 36.4 | 171.8 | -64.9 | -13.5 | 0 | 0 | 0 | 115.4 | T186 G187 S188 I256 T257 | T186-N194 PolarHBondContact OG1-N 3.03Å; T186-N194 VanDerWaalsContact OG1-N 3.15Å; G187-N194 PolarHBondContact O-N 3.02Å; G187-N194 PolarHBondContact O-OD1 3.26Å; S188-N194 PolarHBondContact N-OD1 3.01Å; N194-I256 WeakPolarHBondContact O-CA 3.33Å; N194-T257 HydrophobicContact CB-CG2 3.8Å; N194-T257 PolarHBondContact O-N 3.17Å; N194-T257 VanDerWaalsContact O-N 3.11Å; N194-T257 PolarHBondContact O-OG1 2.88Å |
| 195 | R | 91.6 | Very high | 88 | Confident | 22 Ų | 22 | 42.2 Ų | 42.2 | 8% | 0.083 | 21% | 0.208 | C | C | . | . | trans | -96.3 | 143.5 | 175.7 | -66.6 | -65.5 | -74.6 | 169.8 | 1 | 110.8 | T173 S185 T186 P192 L193 T257 Y259 | T173-R195 HydrophobicContact CG2-CB 3.73Å; T173-R195 HydrophobicContact CG2-CG 4.47Å; S185-R195 CarbonylContact C-O 3.56Å; S185-R195 WeakPolarHBondContact CA-O 3.42Å; S185-R195 WeakPolarHBondContact CB-O 3.4Å; T186-R195 HydrophobicContact CG2-CB 4.4Å; T186-R195 PolarHBondContact N-O 3.45Å; T186-R195 PolarHBondContact OG1-N 2.97Å; T186-R195 PolarHBondContact OG1-O 3.45Å; P192-R195 HydrophobicContact CB-CG 3.74Å; P192-R195 HydrophobicContact CG-CB 4.21Å; P192-R195 HydrophobicContact CG-CG 3.7Å; L193-R195 PolarHBondContact O-N 2.98Å; L193-R195 VanDerWaalsContact O-N 3.07Å; R195-T257 WeakPolarHBondContact CD-O 3.34Å; R195-T257 PolarHBondContact NH1-O 3.4Å; R195-Y259 VanDerWaalsContact CZ-CB 3.49Å; R195-Y259 VanDerWaalsContact NH1-N 3.18Å; R195-Y259 VanDerWaalsContact NH2-CD2 3.32Å | ||
| 196 | P | 93.7 | Very high | 87.1 | Confident | 1 Ų | 1 | 44.2 Ų | 44.2 | 1% | 0.006 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -57.5 | 140.9 | 177 | -25 | 33.9 | 0 | 0 | 0 | 112.9 | T173 L174 V176 A182 L184 I256 | T173-P196 CarbonylContact C-O 3.52Å; T173-P196 WeakPolarHBondContact CA-O 3.36Å; L174-P196 HydrophobicContact CB-CB 4.18Å; L174-P196 PolarHBondContact N-O 2.87Å; L174-P196 WeakPolarHBondContact O-CD 3.3Å; V176-P196 HydrophobicContact CG2-CB 3.78Å; V176-P196 HydrophobicContact CG2-CG 4.11Å; A182-P196 HydrophobicContact CB-CB 3.95Å; A182-P196 HydrophobicContact CB-CG 3.91Å; L184-P196 CarbonylContact O-C 3.38Å; L184-P196 WeakPolarHBondContact O-CA 3.33Å; P196-I256 HydrophobicContact CG-CG2 3.83Å |
| 197 | V | 93.9 | Very high | 86.7 | Confident | 2 Ų | 2 | 44.2 Ų | 44.2 | 1% | 0.012 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.7 | -21.3 | 174.1 | -64.7 | 0 | 0 | 0 | 0 | 113.2 | Y168 L174 L184 T186 G213 | Y168-V197 HydrophobicContact CD1-CG1 4.26Å; Y168-V197 HydrophobicContact CD2-CB 4.41Å; Y168-V197 HydrophobicContact CE1-CB 4.22Å; Y168-V197 HydrophobicContact CE1-CG1 3.74Å; Y168-V197 HydrophobicContact CE2-CB 3.79Å; Y168-V197 HydrophobicContact CE2-CG1 4.22Å; Y168-V197 HydrophobicContact CE2-CG2 4.33Å; L174-V197 WeakPolarHBondContact CD1-O 3.36Å; L184-V197 HydrophobicContact CB-CG2 3.58Å; L184-V197 PolarHBondContact O-N 3.32Å; T186-V197 HydrophobicContact CG2-CG1 3.42Å; T186-V197 VanDerWaalsContact CG2-CG1 3.42Å; V197-G213 PolarHBondContact O-N 3.28Å |
| 198 | L | 94.3 | Very high | 86.9 | Confident | 3 Ų | 3 | 44.9 Ų | 44.9 | 2% | 0.016 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.9 | 130.3 | 173.1 | 179.1 | 62.6 | 0 | 0 | 0 | 108.9 | V183 L184 F200 V211 M212 V235 | V183-L198 HydrophobicContact CB-CG 4.41Å; V183-L198 HydrophobicContact CG1-CD2 4.04Å; V183-L198 HydrophobicContact CG1-CG 4.41Å; V183-L198 PolarHBondContact N-O 2.78Å; L184-L198 HydrophobicContact CB-CB 3.82Å; L184-L198 HydrophobicContact CD1-CB 4Å; L184-L198 HydrophobicContact CD1-CD2 3.68Å; L184-L198 HydrophobicContact CG-CB 4.03Å; L184-L198 HydrophobicContact CG-CD2 3.98Å; L184-L198 PolarHBondContact N-O 3.44Å; L184-L198 PolarHBondContact O-N 3.43Å; L198-F200 HydrophobicContact CD1-CD1 4.43Å; L198-F200 HydrophobicContact CD1-CE1 3.93Å; L198-F200 HydrophobicContact CD2-CE1 3.93Å; L198-F200 HydrophobicContact CD2-CZ 4.05Å; L198-F200 HydrophobicContact CG-CD1 4.45Å; L198-F200 HydrophobicContact CG-CE1 3.96Å; L198-V211 WeakPolarHBondContact CA-O 3.44Å; L198-V211 WeakPolarHBondContact CD1-O 3Å; L198-M212 HydrophobicContact CD1-CB 4.05Å; L198-M212 HydrophobicContact CD1-CE 3.67Å; L198-M212 HydrophobicContact CD1-CG 4.35Å; L198-M212 HydrophobicContact CD2-CE 4.23Å; L198-M212 HydrophobicContact CG-CE 4.47Å; L198-V235 HydrophobicContact CD2-CG2 3.67Å |
| 199 | A | 94 | Very high | 87.2 | Confident | 0 Ų | 0 | 42 Ų | 42 | 0% | 0 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.2 | 142.5 | 177.6 | 0 | 0 | 0 | 0 | 0 | 110.5 | I108 L174 V176 V181 A210 V211 | I108-A199 HydrophobicContact CD1-CB 3.82Å; I108-A199 HydrophobicContact CG1-CB 4.05Å; I108-A199 HydrophobicContact CG2-CB 4.16Å; L174-A199 HydrophobicContact CD1-CB 3.99Å; V176-A199 HydrophobicContact CG1-CB 4.16Å; V176-A199 HydrophobicContact CG2-CB 3.59Å; V181-A199 CarbonylContact O-C 3.55Å; V181-A199 VanDerWaalsContact O-CA 3.31Å; V181-A199 WeakPolarHBondContact O-CA 3.04Å; A199-A210 WeakPolarHBondContact O-CA 3.19Å; A199-V211 PolarHBondContact N-O 2.86Å; A199-V211 PolarHBondContact O-N 3.41Å |
| 200 | F | 93.6 | Very high | 87.6 | Confident | 4 Ų | 4 | 39.2 Ų | 39.2 | 2% | 0.018 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.2 | 143.2 | 175.2 | -72.2 | -12.3 | 0 | 0 | 0 | 110.2 | V181 V183 L198 L209 A210 V235 W238 L246 | V181-F200 PolarHBondContact N-O 3.29Å; V181-F200 PolarHBondContact O-N 2.83Å; V183-F200 HydrophobicContact CB-CD2 4.35Å; V183-F200 HydrophobicContact CB-CE2 4.49Å; V183-F200 HydrophobicContact CG1-CD2 4.02Å; V183-F200 HydrophobicContact CG1-CE2 3.71Å; V183-F200 HydrophobicContact CG1-CZ 4.03Å; V183-F200 HydrophobicContact CG2-CB 3.93Å; V183-F200 HydrophobicContact CG2-CD1 4.49Å; V183-F200 HydrophobicContact CG2-CD2 3.57Å; V183-F200 HydrophobicContact CG2-CE2 4.14Å; V183-F200 HydrophobicContact CG2-CG 3.75Å; L198-F200 HydrophobicContact CD1-CD1 4.43Å; L198-F200 HydrophobicContact CD1-CE1 3.93Å; L198-F200 HydrophobicContact CD2-CE1 3.93Å; L198-F200 HydrophobicContact CD2-CZ 4.05Å; L198-F200 HydrophobicContact CG-CD1 4.45Å; L198-F200 HydrophobicContact CG-CE1 3.96Å; F200-L209 CarbonylContact C-O 3.53Å; F200-L209 WeakPolarHBondContact CA-O 3.41Å; F200-A210 HydrophobicContact CD1-CB 3.68Å; F200-A210 HydrophobicContact CE1-CB 3.69Å; F200-V235 HydrophobicContact CE1-CG2 4.38Å; F200-V235 HydrophobicContact CZ-CG2 4.12Å; F200-W238 HydrophobicContact CB-CH2 3.54Å; F200-W238 HydrophobicContact CB-CZ2 3.7Å; F200-W238 HydrophobicContact CB-CZ3 3.97Å; F200-W238 HydrophobicContact CD1-CD2 4.38Å; F200-W238 AromaticContact CD1-CE3 3.78Å; F200-W238 HydrophobicContact CD1-CE3 3.78Å; F200-W238 HydrophobicContact CD1-CH2 4.16Å; F200-W238 AromaticContact CD1-CZ3 3.64Å; F200-W238 HydrophobicContact CD1-CZ3 3.64Å; F200-W238 AromaticContact CD2-CD2 3.51Å; F200-W238 HydrophobicContact CD2-CD2 3.51Å; F200-W238 AromaticContact CD2-CE2 3.57Å; F200-W238 AromaticContact CD2-CE3 3.77Å; F200-W238 HydrophobicContact CD2-CE3 3.77Å; F200-W238 AromaticContact CD2-CG 4Å; F200-W238 HydrophobicContact CD2-CG 4Å; F200-W238 HydrophobicContact CD2-CH2 4.16Å; F200-W238 AromaticContact CD2-CZ2 3.92Å; F200-W238 HydrophobicContact CD2-CZ2 3.92Å; F200-W238 HydrophobicContact CD2-CZ3 4.08Å; F200-W238 AromaticContact CD2-NE1 3.99Å; F200-W238 HydrophobicContact CE1-CD2 4.44Å; F200-W238 AromaticContact CE1-CE3 3.86Å; F200-W238 HydrophobicContact CE1-CE3 3.86Å; F200-W238 HydrophobicContact CE1-CZ3 4.16Å; F200-W238 HydrophobicContact CE2-CB 4.14Å; F200-W238 AromaticContact CE2-CD2 3.59Å; F200-W238 HydrophobicContact CE2-CD2 3.59Å; F200-W238 AromaticContact CE2-CE3 3.86Å; F200-W238 HydrophobicContact CE2-CE3 3.86Å; F200-W238 AromaticContact CE2-CG 3.68Å; F200-W238 HydrophobicContact CE2-CG 3.68Å; F200-W238 AromaticContact CG-CD2 3.96Å; F200-W238 HydrophobicContact CG-CD2 3.96Å; F200-W238 AromaticContact CG-CE2 3.98Å; F200-W238 AromaticContact CG-CE3 3.76Å; F200-W238 HydrophobicContact CG-CE3 3.76Å; F200-W238 AromaticContact CG-CH2 3.7Å; F200-W238 HydrophobicContact CG-CH2 3.7Å; F200-W238 AromaticContact CG-CZ2 3.89Å; F200-W238 HydrophobicContact CG-CZ2 3.89Å; F200-W238 AromaticContact CG-CZ3 3.62Å; F200-W238 HydrophobicContact CG-CZ3 3.62Å; F200-W238 HydrophobicContact CZ-CB 4.39Å; F200-W238 HydrophobicContact CZ-CD2 4.08Å; F200-W238 AromaticContact CZ-CE3 3.91Å; F200-W238 HydrophobicContact CZ-CE3 3.91Å; F200-W238 HydrophobicContact CZ-CG 4.28Å; F200-L246 HydrophobicContact CB-CD1 4.26Å; F200-L246 HydrophobicContact CD2-CD1 4.11Å; F200-L246 HydrophobicContact CD2-CD2 4.09Å; F200-L246 HydrophobicContact CE2-CD2 4.45Å |
| 201 | Y | 91.5 | Very high | 87.9 | Confident | 36 Ų | 36 | 39.2 Ų | 39.2 | 14% | 0.141 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.5 | 131.7 | 172.3 | 169.5 | -106.2 | 0 | 0 | 0 | 108.8 | L77 F106 P179 V203 L209 | L77-Y201 HydrophobicContact CD2-CD1 4.18Å; L77-Y201 HydrophobicContact CD2-CE1 3.96Å; F106-Y201 HydrophobicContact CB-CD1 3.91Å; F106-Y201 HydrophobicContact CB-CD2 4.45Å; F106-Y201 HydrophobicContact CB-CE1 4.13Å; F106-Y201 HydrophobicContact CB-CG 4.06Å; F106-Y201 AromaticContact CD1-CD1 3.68Å; F106-Y201 HydrophobicContact CD1-CD1 3.68Å; F106-Y201 AromaticContact CD1-CE1 3.1Å; F106-Y201 HydrophobicContact CD1-CE1 3.1Å; F106-Y201 HydrophobicContact CD1-CE2 4.46Å; F106-Y201 AromaticContact CD1-CZ 3.57Å; F106-Y201 HydrophobicContact CE1-CD1 4.42Å; F106-Y201 AromaticContact CE1-CE1 3.64Å; F106-Y201 HydrophobicContact CE1-CE1 3.64Å; F106-Y201 AromaticContact CG-CD1 3.9Å; F106-Y201 HydrophobicContact CG-CD1 3.9Å; F106-Y201 AromaticContact CG-CE1 3.81Å; F106-Y201 HydrophobicContact CG-CE1 3.81Å; P179-Y201 HydrophobicContact CB-CD2 4.17Å; P179-Y201 HydrophobicContact CB-CE2 3.75Å; P179-Y201 HydrophobicContact CG-CD2 3.88Å; P179-Y201 HydrophobicContact CG-CE2 3.39Å; Y201-V203 HydrophobicContact CD1-CG2 4.21Å; Y201-V203 HydrophobicContact CE1-CB 4.46Å; Y201-V203 HydrophobicContact CE1-CG2 3.29Å; Y201-L209 HydrophobicContact CD1-CB 4.03Å; Y201-L209 HydrophobicContact CD1-CD2 4.22Å; Y201-L209 PolarHBondContact N-O 3.45Å; Y201-L209 PolarHBondContact O-N 2.9Å |
| 202 | Q | 86.6 | Confident | 88.2 | Confident | 96 Ų | 96 | 36.2 Ų | 36.2 | 45% | 0.449 | 18% | 0.177 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.6 | 117.8 | 179.1 | -175 | 174 | 2.9 | 0 | 0 | 109 | K204 K208 W238 | Q202-K204 PolarHBondContact O-N 3.35Å; Q202-K208 HydrophobicContact CG-CG 4.3Å; Q202-W238 HydrophobicContact CB-CZ2 4.38Å |
| 203 | V | 82.5 | Confident | 88.4 | Confident | 19 Ų | 19 | 35.8 Ų | 35.8 | 12% | 0.115 | 17% | 0.174 | C | C | . | . | trans | -75 | 114 | 173.3 | 179.4 | 0 | 0 | 0 | 0 | 107.6 | L77 Y201 E205 A206 G207 | L77-V203 HydrophobicContact CD2-CG2 3.78Å; L77-V203 HydrophobicContact CG-CG2 3.87Å; Y201-V203 HydrophobicContact CD1-CG2 4.21Å; Y201-V203 HydrophobicContact CE1-CB 4.46Å; Y201-V203 HydrophobicContact CE1-CG2 3.29Å; V203-E205 CarbonylContact O-C 3.56Å; V203-E205 PolarHBondContact O-N 3.21Å; V203-A206 PolarHBondContact O-N 2.98Å; V203-G207 PolarHBondContact N-O 3.3Å | ||
| 204 | K | 69.1 | Low | 88.6 | Confident | 203 Ų | 203 | 32.3 Ų | 32.3 | 88% | 0.883 | 16% | 0.156 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 12 | 59.6 | 165.3 | -65.1 | -179.1 | 179 | 176.8 | 0 | 115.7 | Q202 | Q202-K204 PolarHBondContact O-N 3.35Š|
| 205 | E | 63.2 | Low | 88.7 | Confident | 185 Ų | 185 | 30.1 Ų | 30.1 | 86% | 0.864 | 15% | 0.145 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 70.3 | 13.2 | 179.2 | -51.1 | -176.2 | 162 | 0 | 0 | 119.4 | V203 | V203-E205 CarbonylContact O-C 3.56Å; V203-E205 PolarHBondContact O-N 3.21Å |
| 206 | A | 73.9 | Confident | 88.8 | Confident | 45 Ų | 45 | 30.9 Ų | 30.9 | 37% | 0.372 | 15% | 0.149 | S | C | . | . | S | Bend | trans | -112.1 | -86.3 | 177.1 | 0 | 0 | 0 | 0 | 0 | 113.1 | V203 | V203-A206 PolarHBondContact O-N 2.98Š|
| 207 | G | 84.6 | Confident | 88.7 | Confident | 0 Ų | 0 | 31 Ų | 31 | 0% | 0 | 15% | 0.149 | C | C | . | . | trans | -94.8 | 148.1 | -172 | 0 | 0 | 0 | 0 | 0 | 113.6 | L77 V203 | L77-G207 VanDerWaalsContact O-CA 3.31Å; L77-G207 WeakPolarHBondContact O-CA 3.23Å; V203-G207 PolarHBondContact N-O 3.3Å | ||
| 208 | K | 91.8 | Very high | 88.6 | Confident | 14 Ų | 14 | 30.9 Ų | 30.9 | 6% | 0.061 | 15% | 0.149 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.7 | 132.6 | 177.8 | -62.7 | 173.9 | -170.6 | 160.9 | 0 | 111 | D82 V83 Q202 W238 L239 G241 D242 | D82-K208 CarbonylContact C-O 3.46Å; D82-K208 VanDerWaalsContact CA-O 3.29Å; D82-K208 WeakPolarHBondContact CA-O 3.1Å; D82-K208 WeakPolarHBondContact OD1-CB 3.45Å; D82-K208 PolarHBondContact OD1-N 2.99Å; V83-K208 PolarHBondContact N-O 3.31Å; Q202-K208 HydrophobicContact CG-CG 4.3Å; K208-W238 HydrophobicContact CB-CE3 4.45Å; K208-W238 HydrophobicContact CB-CH2 3.66Å; K208-W238 HydrophobicContact CB-CZ2 4.35Å; K208-W238 HydrophobicContact CB-CZ3 3.73Å; K208-W238 HydrophobicContact CD-CD2 4.38Å; K208-W238 HydrophobicContact CD-CE3 4.43Å; K208-W238 HydrophobicContact CD-CH2 4.32Å; K208-W238 HydrophobicContact CD-CZ2 4.26Å; K208-W238 HydrophobicContact CD-CZ3 4.41Å; K208-W238 WeakPolarHBondContact CD-O 3.42Å; K208-W238 WeakPolarHBondContact CE-O 3.44Å; K208-W238 HydrophobicContact CG-CH2 4.02Å; K208-W238 HydrophobicContact CG-CZ2 4.21Å; K208-W238 HydrophobicContact CG-CZ3 4.39Å; K208-W238 PolarHBondContact NZ-O 3.21Å; K208-L239 HydrophobicContact CB-CD2 3.96Å; K208-G241 PolarHBondContact NZ-O 3.33Å; K208-D242 IonicContact NZ-OD1 2.64Å |
| 209 | L | 93.4 | Very high | 88.4 | Confident | 2 Ų | 2 | 31 Ų | 31 | 1% | 0.01 | 15% | 0.149 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.8 | 126.4 | 174.8 | 171.7 | 66.9 | 0 | 0 | 0 | 108.7 | L77 V83 V85 L103 F106 I108 F200 Y201 V211 | L77-L209 HydrophobicContact CD1-CB 4.06Å; L77-L209 HydrophobicContact CD2-CB 4.32Å; V83-L209 HydrophobicContact CB-CD1 3.72Å; V83-L209 HydrophobicContact CG1-CD1 3.43Å; V83-L209 VanDerWaalsContact CG1-CD1 3.43Å; V83-L209 CarbonylContact O-C 3.45Å; V83-L209 WeakPolarHBondContact O-CA 3.45Å; V85-L209 HydrophobicContact CG2-CD1 4.26Å; L103-L209 HydrophobicContact CD2-CD1 4.39Å; L103-L209 HydrophobicContact CD2-CD2 4.17Å; F106-L209 HydrophobicContact CB-CD2 3.92Å; F106-L209 HydrophobicContact CD2-CD2 3.51Å; F106-L209 HydrophobicContact CE2-CD2 4.23Å; F106-L209 HydrophobicContact CG-CD2 3.84Å; I108-L209 HydrophobicContact CD1-CD2 4.42Å; F200-L209 CarbonylContact C-O 3.53Å; F200-L209 WeakPolarHBondContact CA-O 3.41Å; Y201-L209 HydrophobicContact CD1-CB 4.03Å; Y201-L209 HydrophobicContact CD1-CD2 4.22Å; Y201-L209 PolarHBondContact N-O 3.45Å; Y201-L209 PolarHBondContact O-N 2.9Å; L209-V211 HydrophobicContact CD1-CG2 4.25Å; L209-V211 HydrophobicContact CD2-CG2 4.43Å; L209-V211 HydrophobicContact CG-CG2 4.15Å |
| 210 | A | 94.9 | Very high | 88.2 | Confident | 0 Ų | 0 | 33.4 Ų | 33.4 | 0% | 0 | 16% | 0.162 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.2 | 133.2 | 169.4 | 0 | 0 | 0 | 0 | 0 | 109.7 | V83 L84 V85 A199 F200 W238 L239 | V83-A210 PolarHBondContact O-N 3.27Å; L84-A210 WeakPolarHBondContact CA-O 3.49Å; L84-A210 HydrophobicContact CD1-CB 3.75Å; V85-A210 PolarHBondContact N-O 3.47Å; A199-A210 WeakPolarHBondContact O-CA 3.19Å; F200-A210 HydrophobicContact CD1-CB 3.68Å; F200-A210 HydrophobicContact CE1-CB 3.69Å; A210-W238 HydrophobicContact CB-CZ3 4.21Å; A210-L239 HydrophobicContact CB-CD1 4.12Å; A210-L239 HydrophobicContact CB-CD2 3.93Å; A210-L239 HydrophobicContact CB-CG 4.3Å |
| 211 | V | 95.4 | Very high | 88 | Confident | 0 Ų | 0 | 38.7 Ų | 38.7 | 0% | 0 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.8 | 127.3 | 177.4 | -176.8 | 0 | 0 | 0 | 0 | 109.2 | V85 L103 I108 V110 L174 L198 A199 L209 | V85-V211 HydrophobicContact CB-CG2 4.48Å; V85-V211 CarbonylContact O-C 3.19Å; V85-V211 WeakPolarHBondContact O-CA 3.47Å; L103-V211 HydrophobicContact CD1-CG1 3.98Å; L103-V211 HydrophobicContact CD1-CG2 4.23Å; L103-V211 HydrophobicContact CD2-CG2 3.64Å; L103-V211 HydrophobicContact CG-CG2 4.5Å; I108-V211 HydrophobicContact CB-CG2 4.36Å; I108-V211 HydrophobicContact CD1-CB 4.28Å; I108-V211 HydrophobicContact CD1-CG2 3.69Å; I108-V211 HydrophobicContact CG2-CB 3.86Å; I108-V211 HydrophobicContact CG2-CG1 3.91Å; I108-V211 HydrophobicContact CG2-CG2 3.9Å; V110-V211 HydrophobicContact CG2-CG1 4.12Å; L174-V211 HydrophobicContact CD1-CB 4.36Å; L174-V211 HydrophobicContact CD1-CG1 4.13Å; L174-V211 WeakPolarHBondContact CD1-O 3.32Å; L174-V211 HydrophobicContact CD2-CG1 4.03Å; L198-V211 WeakPolarHBondContact CA-O 3.44Å; L198-V211 WeakPolarHBondContact CD1-O 3Å; A199-V211 PolarHBondContact N-O 2.86Å; A199-V211 PolarHBondContact O-N 3.41Å; L209-V211 HydrophobicContact CD1-CG2 4.25Å; L209-V211 HydrophobicContact CD2-CG2 4.43Å; L209-V211 HydrophobicContact CG-CG2 4.15Å |
| 212 | M | 95.1 | Very high | 88 | Confident | 1 Ų | 1 | 37.1 Ų | 37.1 | 1% | 0.005 | 18% | 0.181 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.5 | 132.8 | 178.4 | -164.9 | 172.9 | -67.4 | 0 | 0 | 110.4 | V85 M86 L87 L198 S214 M217 F218 V235 | V85-M212 PolarHBondContact O-N 2.95Å; M86-M212 WeakPolarHBondContact CA-O 3.08Å; M86-M212 HydrophobicContact CG-CB 4.07Å; L87-M212 PolarHBondContact N-O 3.49Å; L198-M212 HydrophobicContact CD1-CB 4.05Å; L198-M212 HydrophobicContact CD1-CE 3.67Å; L198-M212 HydrophobicContact CD1-CG 4.35Å; L198-M212 HydrophobicContact CD2-CE 4.23Å; L198-M212 HydrophobicContact CG-CE 4.47Å; M212-S214 VanDerWaalsContact C-N 3.26Å; M212-S214 PolarHBondContact O-N 3.07Å; M212-M217 HydrophobicContact SD-CB 4.36Å; M212-M217 HydrophobicContact SD-SD 3.92Å; M212-F218 HydrophobicContact CE-CE1 4.44Å; M212-F218 HydrophobicContact CE-CE2 3.54Å; M212-F218 HydrophobicContact CE-CZ 3.48Å; M212-F218 VanDerWaalsContact CE-CZ 3.48Å; M212-F218 HydrophobicContact SD-CD2 4.31Å; M212-F218 HydrophobicContact SD-CE2 3.82Å; M212-F218 HydrophobicContact SD-CZ 3.97Å; M212-V235 HydrophobicContact CE-CG2 4.16Å |
| 213 | G | 93.8 | Very high | 88.1 | Confident | 0 Ų | 0 | 32.6 Ų | 32.6 | 0% | 0 | 16% | 0.16 | C | C | . | . | S | Bend | trans | -80.3 | 0.3 | 179.8 | 0 | 0 | 0 | 0 | 0 | 114.9 | L87 G88 Y168 G171 A172 V197 | L87-G213 CarbonylContact C-O 3.15Å; L87-G213 CarbonylContact O-C 3.39Å; L87-G213 VanDerWaalsContact O-O 3.06Å; G88-G213 WeakPolarHBondContact CA-O 3.46Å; Y168-G213 WeakPolarHBondContact OH-CA 3.18Å; Y168-G213 PolarHBondContact OH-N 2.9Å; Y168-G213 PolarHBondContact OH-O 2.9Å; G171-G213 CarbonylContact C-O 3.51Å; G171-G213 WeakPolarHBondContact CA-O 3.16Å; A172-G213 PolarHBondContact N-O 2.97Å; V197-G213 PolarHBondContact O-N 3.28Å |
| 214 | S | 94.4 | Very high | 88.4 | Confident | 0 Ų | 0 | 36.6 Ų | 36.6 | 0% | 0 | 18% | 0.181 | C | C | . | . | trans | -134.1 | 114.7 | 175.3 | 178.7 | 0 | 0 | 0 | 0 | 112.6 | L87 Y168 P169 M212 H216 M217 | L87-S214 CarbonylContact O-C 3.38Å; L87-S214 WeakPolarHBondContact O-CA 3.21Å; L87-S214 PolarHBondContact O-N 3.3Å; Y168-S214 PolarHBondContact OH-N 3.11Å; P169-S214 PolarHBondContact O-OG 3.37Å; M212-S214 VanDerWaalsContact C-N 3.26Å; M212-S214 PolarHBondContact O-N 3.07Å; S214-H216 VanDerWaalsContact C-N 3.34Å; S214-H216 PolarHBondContact OG-N 3.42Å; S214-M217 PolarHBondContact OG-N 3.1Å; S214-M217 VanDerWaalsContact OG-N 3.14Å | ||
| 215 | C | 92 | Very high | 89.4 | Confident | 0 Ų | 0 | 30.1 Ų | 30.1 | 0% | 0 | 15% | 0.153 | C | C | . | . | S | Bend | trans | -77.5 | -21.7 | 169.3 | 58.3 | 0 | 0 | 0 | 0 | 112.4 | F19 Y25 M86 L87 M217 | F19-C215 HydrophobicContact CD2-CB 3.89Å; F19-C215 HydrophobicContact CE2-CB 4.23Å; Y25-C215 PolarHBondContact OH-O 3.1Å; M86-C215 HydrophobicContact CB-CB 4.01Å; L87-C215 PolarHBondContact O-N 3.43Å; C215-M217 VanDerWaalsContact C-N 3.34Å |
| 216 | H | 92.3 | Very high | 90.6 | Very high | 38 Ų | 38 | 24.5 Ų | 24.5 | 18% | 0.176 | 13% | 0.126 | C | C | . | . | S | Bend | trans | -74.9 | -23.7 | 178.1 | -71.8 | -89.5 | 0 | 0 | 0 | 112.7 | F19 P169 S214 F218 S219 Y222 | F19-H216 AromaticContact CE2-CE1 3.84Å; F19-H216 AromaticContact CE2-CG 3.95Å; F19-H216 AromaticContact CE2-ND1 3.77Å; F19-H216 AromaticContact CZ-CE1 3.61Å; F19-H216 AromaticContact CZ-ND1 3.51Å; P169-H216 HydrophobicContact CB-CB 4.2Å; P169-H216 HydrophobicContact CG-CB 3.67Å; S214-H216 VanDerWaalsContact C-N 3.34Å; S214-H216 PolarHBondContact OG-N 3.42Å; H216-F218 PolarHBondContact O-N 2.58Å; H216-S219 WeakPolarHBondContact O-CB 3.48Å; H216-S219 PolarHBondContact O-N 3.31Å; H216-S219 PolarHBondContact O-OG 3.44Å; H216-Y222 WeakPolarHBondContact O-CD2 3.32Å |
| 217 | M | 92.4 | Very high | 91.4 | Very high | 2 Ų | 2 | 23.7 Ų | 23.7 | 1% | 0.01 | 12% | 0.115 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -55.4 | -37.5 | -179.3 | -174.2 | 172.1 | 179.3 | 0 | 0 | 113.3 | F166 Y168 M212 S214 C215 N228 I231 | F166-M217 HydrophobicContact CB-CE 3.96Å; F166-M217 HydrophobicContact CD2-CE 3.47Å; F166-M217 VanDerWaalsContact CD2-CE 3.47Å; F166-M217 HydrophobicContact CD2-SD 4.37Å; F166-M217 HydrophobicContact CE2-CE 4.19Å; F166-M217 HydrophobicContact CG-CE 3.9Å; Y168-M217 HydrophobicContact CD2-SD 4.05Å; M212-M217 HydrophobicContact SD-CB 4.36Å; M212-M217 HydrophobicContact SD-SD 3.92Å; S214-M217 PolarHBondContact OG-N 3.1Å; S214-M217 VanDerWaalsContact OG-N 3.14Å; C215-M217 VanDerWaalsContact C-N 3.34Å; M217-N228 PolarHBondContact O-ND2 3.39Å; M217-I231 HydrophobicContact CE-CB 3.94Å; M217-I231 HydrophobicContact CE-CG1 4.06Å; M217-I231 HydrophobicContact CE-CG2 3.68Å |
| 218 | F | 92.1 | Very high | 91.7 | Very high | 0 Ų | 0 | 23.7 Ų | 23.7 | 0% | 0 | 12% | 0.115 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -98.9 | 7.2 | 177.8 | -63.4 | -28.1 | 0 | 0 | 0 | 114.5 | Y25 L28 M86 M212 H216 L223 M232 F236 | Y25-F218 VanDerWaalsContact CD1-O 3.28Å; Y25-F218 WeakPolarHBondContact CD1-O 3.47Å; Y25-F218 HydrophobicContact CE1-CB 4.03Å; Y25-F218 WeakPolarHBondContact CE1-O 3.34Å; L28-F218 HydrophobicContact CD2-CB 4.46Å; M86-F218 HydrophobicContact SD-CD2 3.72Å; M86-F218 HydrophobicContact SD-CE2 4.27Å; M212-F218 HydrophobicContact CE-CE1 4.44Å; M212-F218 HydrophobicContact CE-CE2 3.54Å; M212-F218 HydrophobicContact CE-CZ 3.48Å; M212-F218 VanDerWaalsContact CE-CZ 3.48Å; M212-F218 HydrophobicContact SD-CD2 4.31Å; M212-F218 HydrophobicContact SD-CE2 3.82Å; M212-F218 HydrophobicContact SD-CZ 3.97Å; H216-F218 PolarHBondContact O-N 2.58Å; F218-L223 HydrophobicContact CD1-CD1 4.04Å; F218-M232 HydrophobicContact CD1-CB 3.91Å; F218-M232 HydrophobicContact CD1-CG 4.22Å; F218-M232 HydrophobicContact CE1-CB 3.47Å; F218-M232 VanDerWaalsContact CE1-CB 3.47Å; F218-M232 HydrophobicContact CE1-CG 4.07Å; F218-M232 HydrophobicContact CZ-CB 3.91Å; F218-M232 HydrophobicContact CZ-CG 4.25Å; F218-F236 HydrophobicContact CE2-CE2 4.46Å |
| 219 | S | 90.8 | Very high | 91.6 | Very high | 5 Ų | 5 | 24.2 Ų | 24.2 | 4% | 0.035 | 12% | 0.12 | C | C | . | . | S | Bend | trans | -68.6 | 156.9 | 176 | 70 | 0 | 0 | 0 | 0 | 111.3 | G24 H216 Q221 Y222 L223 | G24-S219 WeakPolarHBondContact O-CA 3.38Å; H216-S219 WeakPolarHBondContact O-CB 3.48Å; H216-S219 PolarHBondContact O-N 3.31Å; H216-S219 PolarHBondContact O-OG 3.44Å; S219-Q221 PolarHBondContact O-N 2.59Å; S219-Y222 PolarHBondContact O-N 2.92Å; S219-Y222 WeakPolarHBondContact OG-CD2 3.28Å; S219-L223 WeakPolarHBondContact O-CB 3.38Å; S219-L223 PolarHBondContact O-N 3.16Å |
| 220 | D | 89.4 | Confident | 91.5 | Very high | 51 Ų | 51 | 27.3 Ų | 27.3 | 27% | 0.273 | 13% | 0.133 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -54.1 | -25.4 | -178.9 | -61.8 | -26.2 | 0 | 0 | 0 | 113 | G24 K26 S27 | G24-D220 PolarHBondContact O-N 3.5Å; K26-D220 WeakPolarHBondContact CB-OD2 3.27Å; K26-D220 PolarHBondContact N-OD1 2.83Å; K26-D220 PolarHBondContact N-OD2 2.93Å; K26-D220 VanDerWaalsContact N-OD2 3.11Å; S27-D220 WeakPolarHBondContact CB-OD1 3.31Å; S27-D220 PolarHBondContact N-OD1 3.38Å |
| 221 | Q | 89.6 | Confident | 91.3 | Very high | 116 Ų | 116 | 27.4 Ų | 27.4 | 54% | 0.542 | 13% | 0.134 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -76.8 | -27.7 | -180 | -173.5 | 177.2 | 9.9 | 0 | 0 | 114.1 | S219 K225 | S219-Q221 PolarHBondContact O-N 2.59Å; Q221-K225 WeakPolarHBondContact O-CD 3.33Å; Q221-K225 WeakPolarHBondContact O-CE 3.47Å; Q221-K225 PolarHBondContact O-NZ 2.79Å |
| 222 | Y | 90.6 | Very high | 91 | Very high | 3 Ų | 3 | 27.6 Ų | 27.6 | 1% | 0.012 | 14% | 0.135 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -120.8 | -15.2 | -172.4 | -58.2 | -83.8 | 0 | 0 | 0 | 113.8 | E128 V167 P169 H216 S219 D224 K225 N228 | E128-Y222 HydrophobicContact CG-CE1 4.15Å; E128-Y222 WeakPolarHBondContact OE1-CE1 3.46Å; E128-Y222 VanDerWaalsContact OE1-CZ 3.32Å; E128-Y222 PolarHBondContact OE1-OH 3.11Å; V167-Y222 HydrophobicContact CG1-CD1 4.13Å; P169-Y222 HydrophobicContact CB-CD1 4.22Å; P169-Y222 HydrophobicContact CB-CD2 4.16Å; P169-Y222 HydrophobicContact CB-CE1 3.96Å; P169-Y222 HydrophobicContact CB-CE2 3.91Å; P169-Y222 HydrophobicContact CB-CG 4.32Å; P169-Y222 HydrophobicContact CG-CD1 4.06Å; P169-Y222 HydrophobicContact CG-CD2 3.68Å; P169-Y222 HydrophobicContact CG-CE1 4.3Å; P169-Y222 HydrophobicContact CG-CE2 3.94Å; P169-Y222 HydrophobicContact CG-CG 3.75Å; H216-Y222 WeakPolarHBondContact O-CD2 3.32Å; S219-Y222 PolarHBondContact O-N 2.92Å; S219-Y222 WeakPolarHBondContact OG-CD2 3.28Å; Y222-D224 VanDerWaalsContact C-N 3.3Å; Y222-D224 PolarHBondContact O-N 3.33Å; Y222-K225 HydrophobicContact CD1-CD 4.06Å; Y222-K225 WeakPolarHBondContact O-CB 3.41Å; Y222-K225 PolarHBondContact O-N 3.26Å; Y222-N228 WeakPolarHBondContact O-CB 3.43Å; Y222-N228 PolarHBondContact O-ND2 3.49Å |
| 223 | L | 89.4 | Confident | 90.7 | Very high | 0 Ų | 0 | 30.6 Ų | 30.6 | 0% | 0 | 15% | 0.151 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -61.1 | -38.9 | -177.5 | -175.3 | 64.5 | 0 | 0 | 0 | 113 | L28 F218 S219 K225 S229 M232 | L28-L223 HydrophobicContact CB-CD2 4.32Å; F218-L223 HydrophobicContact CD1-CD1 4.04Å; S219-L223 WeakPolarHBondContact O-CB 3.38Å; S219-L223 PolarHBondContact O-N 3.16Å; L223-K225 VanDerWaalsContact C-N 3.28Å; L223-S229 PolarHBondContact O-N 2.86Å; L223-M232 HydrophobicContact CD1-CB 4.03Å; L223-M232 HydrophobicContact CD1-CG 4.23Å; L223-M232 HydrophobicContact CD1-SD 3.61Å; L223-M232 HydrophobicContact CD2-SD 4Å; L223-M232 HydrophobicContact CG-SD 4.39Å |
| 224 | D | 89.1 | Confident | 90.5 | Very high | 104 Ų | 104 | 30.8 Ų | 30.8 | 56% | 0.556 | 15% | 0.152 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -87.3 | 3.6 | 179.1 | -63.2 | -41.4 | 0 | 0 | 0 | 112.9 | R31 Y222 | R31-D224 IonicContact NH2-OD1 2.62Å; Y222-D224 VanDerWaalsContact C-N 3.3Å; Y222-D224 PolarHBondContact O-N 3.33Å |
| 225 | K | 88.3 | Confident | 90.4 | Very high | 66 Ų | 66 | 30.9 Ų | 30.9 | 29% | 0.287 | 15% | 0.153 | S | C | . | . | S | Bend | trans | -96.1 | 140 | 178.6 | -63.2 | -173.6 | 175.7 | 167.1 | 0 | 111.2 | Y123 V167 Q221 Y222 L223 E227 N228 | Y123-K225 HydrophobicContact CE1-CD 3.77Å; V167-K225 HydrophobicContact CG2-CB 4.5Å; Q221-K225 WeakPolarHBondContact O-CD 3.33Å; Q221-K225 WeakPolarHBondContact O-CE 3.47Å; Q221-K225 PolarHBondContact O-NZ 2.79Å; Y222-K225 HydrophobicContact CD1-CD 4.06Å; Y222-K225 WeakPolarHBondContact O-CB 3.41Å; Y222-K225 PolarHBondContact O-N 3.26Å; L223-K225 VanDerWaalsContact C-N 3.28Å; K225-E227 PolarHBondContact O-N 3.27Å; K225-N228 PolarHBondContact O-N 3.45Å |
| 226 | E | 89.2 | Confident | 90.3 | Very high | 67 Ų | 67 | 31.3 Ų | 31.3 | 31% | 0.313 | 16% | 0.155 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 48.6 | -127.4 | -177.1 | -48.9 | -67.5 | 176.9 | 0 | 0 | 110.6 | K122 L130 V167 | K122-E226 WeakPolarHBondContact CD-OE1 3.33Å; K122-E226 IonicContact NZ-OE1 2.86Å; K122-E226 PolarHBondContact NZ-OE1 2.95Å; K122-E226 IonicContact NZ-OE2 2.73Å; K122-E226 PolarHBondContact NZ-OE2 3.21Å; L130-E226 HydrophobicContact CD1-CG 3.77Å; V167-E226 HydrophobicContact CG2-CB 4.21Å; V167-E226 HydrophobicContact CG2-CG 3.49Å; V167-E226 VanDerWaalsContact CG2-CG 3.49Å |
| 227 | E | 90 | Very high | 90.1 | Very high | 29 Ų | 29 | 34.3 Ų | 34.3 | 14% | 0.136 | 17% | 0.169 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -113.7 | 23.8 | -179.8 | -53.4 | -171.5 | 119.7 | 0 | 0 | 113.7 | K146 L164 T165 K225 S229 K230 I231 | K146-E227 WeakPolarHBondContact CE-OE1 3.41Å; K146-E227 IonicContact NZ-OE1 3Å; K146-E227 PolarHBondContact NZ-OE1 2.95Å; K146-E227 IonicContact NZ-OE2 2.75Å; K146-E227 PolarHBondContact NZ-OE2 3.18Å; L164-E227 WeakPolarHBondContact CA-OE2 3.5Å; L164-E227 HydrophobicContact CD2-CB 4.39Å; L164-E227 WeakPolarHBondContact CD2-OE2 3.37Å; T165-E227 PolarHBondContact N-OE2 2.84Å; T165-E227 VanDerWaalsContact N-OE2 3.14Å; T165-E227 VanDerWaalsContact O-CB 3.31Å; T165-E227 WeakPolarHBondContact O-CB 3.33Å; T165-E227 PolarHBondContact O-N 3.43Å; T165-E227 VanDerWaalsContact O-N 3.13Å; K225-E227 PolarHBondContact O-N 3.27Å; E227-S229 PolarHBondContact O-N 3.33Å; E227-K230 HydrophobicContact CB-CD 4.24Å; E227-K230 HydrophobicContact CB-CG 4.48Å; E227-K230 WeakPolarHBondContact O-CB 3.28Å; E227-K230 PolarHBondContact O-N 3.11Å; E227-K230 IonicContact OE1-NZ 3.55Å; E227-K230 PolarHBondContact OE1-NZ 3.1Å; E227-I231 PolarHBondContact O-N 2.95Å |
| 228 | N | 91.9 | Very high | 89.9 | Confident | 0 Ų | 0 | 34.2 Ų | 34.2 | 0% | 0 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -57.1 | -34.7 | 178.1 | -76.5 | 28.3 | 0 | 0 | 0 | 112.3 | F166 V167 M217 Y222 K225 K230 I231 M232 | F166-N228 WeakPolarHBondContact CA-OD1 2.99Å; F166-N228 VanDerWaalsContact CB-OD1 3.27Å; F166-N228 WeakPolarHBondContact CB-OD1 2.9Å; V167-N228 PolarHBondContact N-OD1 3.41Å; V167-N228 PolarHBondContact O-ND2 3.13Å; M217-N228 PolarHBondContact O-ND2 3.39Å; Y222-N228 WeakPolarHBondContact O-CB 3.43Å; Y222-N228 PolarHBondContact O-ND2 3.49Å; K225-N228 PolarHBondContact O-N 3.45Å; N228-K230 VanDerWaalsContact C-N 3.32Å; N228-K230 PolarHBondContact O-N 3.27Å; N228-I231 PolarHBondContact O-N 2.93Å; N228-M232 PolarHBondContact O-N 3.15Å |
| 229 | S | 90.4 | Very high | 89.6 | Confident | 24 Ų | 24 | 34.2 Ų | 34.2 | 17% | 0.168 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -60.4 | -37.3 | 174.8 | 58.6 | 0 | 0 | 0 | 0 | 113.4 | L223 E227 M232 D233 | L223-S229 PolarHBondContact O-N 2.86Å; E227-S229 PolarHBondContact O-N 3.33Å; S229-M232 WeakPolarHBondContact O-CB 3.41Å; S229-M232 PolarHBondContact O-N 3.48Å; S229-D233 PolarHBondContact O-N 2.61Å |
| 230 | K | 89.6 | Confident | 89.2 | Confident | 67 Ų | 67 | 34.8 Ų | 34.8 | 29% | 0.291 | 17% | 0.171 | S | C | . | . | H | α-helix | trans | -70.8 | -40.6 | 176.9 | -62 | -177 | -175.2 | 170 | 0 | 111.5 | A144 L164 E227 N228 M232 D233 V234 | A144-K230 HydrophobicContact CB-CB 4.26Å; L164-K230 HydrophobicContact CD2-CB 4.45Å; L164-K230 HydrophobicContact CD2-CD 4.24Å; E227-K230 HydrophobicContact CB-CD 4.24Å; E227-K230 HydrophobicContact CB-CG 4.48Å; E227-K230 WeakPolarHBondContact O-CB 3.28Å; E227-K230 PolarHBondContact O-N 3.11Å; E227-K230 IonicContact OE1-NZ 3.55Å; E227-K230 PolarHBondContact OE1-NZ 3.1Å; N228-K230 VanDerWaalsContact C-N 3.32Å; N228-K230 PolarHBondContact O-N 3.27Å; K230-M232 VanDerWaalsContact C-N 3.29Å; K230-M232 PolarHBondContact O-N 2.82Å; K230-D233 PolarHBondContact O-N 3.07Å; K230-V234 WeakPolarHBondContact O-CG2 3.44Å; K230-V234 PolarHBondContact O-N 2.62Å |
| 231 | I | 90.7 | Very high | 88.4 | Confident | 3 Ų | 3 | 33.5 Ų | 33.5 | 2% | 0.015 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -60.3 | -43.6 | 175 | -60.6 | -61.9 | 0 | 0 | 0 | 110.3 | I140 L164 F166 L184 M217 E227 N228 V234 V235 | I140-I231 HydrophobicContact CG2-CD1 4.42Å; L164-I231 HydrophobicContact CB-CD1 4.47Å; L164-I231 HydrophobicContact CD1-CD1 3.94Å; F166-I231 HydrophobicContact CB-CG1 4.17Å; F166-I231 HydrophobicContact CD1-CD1 4.41Å; F166-I231 HydrophobicContact CD1-CG1 4.43Å; F166-I231 HydrophobicContact CG-CG1 4.39Å; L184-I231 HydrophobicContact CD1-CD1 4.31Å; L184-I231 HydrophobicContact CD1-CG2 3.85Å; L184-I231 HydrophobicContact CD2-CD1 4.4Å; M217-I231 HydrophobicContact CE-CB 3.94Å; M217-I231 HydrophobicContact CE-CG1 4.06Å; M217-I231 HydrophobicContact CE-CG2 3.68Å; E227-I231 PolarHBondContact O-N 2.95Å; N228-I231 PolarHBondContact O-N 2.93Å; I231-V234 PolarHBondContact O-N 2.57Å; I231-V235 HydrophobicContact CG2-CG2 4.32Å; I231-V235 VanDerWaalsContact O-CG2 3.27Å; I231-V235 WeakPolarHBondContact O-CG2 3.36Å; I231-V235 PolarHBondContact O-N 2.89Å |
| 232 | M | 90.4 | Very high | 87.3 | Confident | 3 Ų | 3 | 33.4 Ų | 33.4 | 2% | 0.015 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -56.4 | -53.7 | 173.2 | -175.7 | -157 | 67.4 | 0 | 0 | 110.6 | L28 R31 F218 L223 N228 S229 K230 V234 V235 F236 | L28-M232 HydrophobicContact CD1-CG 3.85Å; L28-M232 HydrophobicContact CD1-SD 3.27Å; L28-M232 WeakPolarHBondContact CD1-SD 3.37Å; R31-M232 HydrophobicContact CB-CE 4.37Å; F218-M232 HydrophobicContact CD1-CB 3.91Å; F218-M232 HydrophobicContact CD1-CG 4.22Å; F218-M232 HydrophobicContact CE1-CB 3.47Å; F218-M232 VanDerWaalsContact CE1-CB 3.47Å; F218-M232 HydrophobicContact CE1-CG 4.07Å; F218-M232 HydrophobicContact CZ-CB 3.91Å; F218-M232 HydrophobicContact CZ-CG 4.25Å; L223-M232 HydrophobicContact CD1-CB 4.03Å; L223-M232 HydrophobicContact CD1-CG 4.23Å; L223-M232 HydrophobicContact CD1-SD 3.61Å; L223-M232 HydrophobicContact CD2-SD 4Å; L223-M232 HydrophobicContact CG-SD 4.39Å; N228-M232 PolarHBondContact O-N 3.15Å; S229-M232 WeakPolarHBondContact O-CB 3.41Å; S229-M232 PolarHBondContact O-N 3.48Å; K230-M232 VanDerWaalsContact C-N 3.29Å; K230-M232 PolarHBondContact O-N 2.82Å; M232-V234 VanDerWaalsContact C-N 3.29Å; M232-V234 PolarHBondContact O-N 2.88Å; M232-V235 PolarHBondContact O-N 3.29Å; M232-F236 HydrophobicContact CG-CD2 3.61Å; M232-F236 HydrophobicContact CG-CE2 3.69Å; M232-F236 VanDerWaalsContact O-CD2 3.28Å; M232-F236 WeakPolarHBondContact O-CD2 3.42Å; M232-F236 PolarHBondContact O-N 3.44Å |
| 233 | D | 89.1 | Confident | 86.1 | Confident | 64 Ų | 64 | 40.4 Ų | 40.4 | 34% | 0.342 | 21% | 0.21 | S | C | . | . | H | α-helix | trans | -56.3 | -43 | -179 | -66.5 | -28.7 | 0 | 0 | 0 | 111.5 | R31 S229 K230 Q237 | R31-D233 IonicContact NH1-OD2 2.65Å; S229-D233 PolarHBondContact O-N 2.61Å; K230-D233 PolarHBondContact O-N 3.07Å; D233-Q237 VanDerWaalsContact O-CB 3.22Å; D233-Q237 WeakPolarHBondContact O-CB 3.19Å; D233-Q237 WeakPolarHBondContact O-CG 3.07Å; D233-Q237 PolarHBondContact O-N 3.2Å |
| 234 | V | 89.8 | Confident | 85.4 | Confident | 4 Ų | 4 | 41.2 Ų | 41.2 | 2% | 0.024 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -65.1 | -45.5 | 177 | 175.3 | 0 | 0 | 0 | 0 | 112.5 | I140 A143 A144 K230 I231 M232 F236 Q237 W238 I244 | I140-V234 HydrophobicContact CB-CG1 4.48Å; I140-V234 HydrophobicContact CG2-CG1 3.97Å; A143-V234 HydrophobicContact CB-CB 4.49Å; A143-V234 HydrophobicContact CB-CG1 3.98Å; A143-V234 HydrophobicContact CB-CG2 3.8Å; A144-V234 HydrophobicContact CB-CG2 3.91Å; K230-V234 WeakPolarHBondContact O-CG2 3.44Å; K230-V234 PolarHBondContact O-N 2.62Å; I231-V234 PolarHBondContact O-N 2.57Å; M232-V234 VanDerWaalsContact C-N 3.29Å; M232-V234 PolarHBondContact O-N 2.88Å; V234-F236 PolarHBondContact O-N 3.03Å; V234-Q237 PolarHBondContact O-N 3.24Å; V234-W238 WeakPolarHBondContact O-CB 3.47Å; V234-W238 PolarHBondContact O-N 3.35Å; V234-I244 HydrophobicContact CG1-CD1 4.27Å |
| 235 | V | 91.2 | Very high | 84.9 | Confident | 2 Ų | 2 | 42.7 Ų | 42.7 | 1% | 0.012 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -61.3 | -45.7 | 179.1 | 170.6 | 0 | 0 | 0 | 0 | 110.9 | L84 L198 F200 M212 I231 M232 W238 L239 | L84-V235 HydrophobicContact CD1-CG1 4.35Å; L198-V235 HydrophobicContact CD2-CG2 3.67Å; F200-V235 HydrophobicContact CE1-CG2 4.38Å; F200-V235 HydrophobicContact CZ-CG2 4.12Å; M212-V235 HydrophobicContact CE-CG2 4.16Å; I231-V235 HydrophobicContact CG2-CG2 4.32Å; I231-V235 VanDerWaalsContact O-CG2 3.27Å; I231-V235 WeakPolarHBondContact O-CG2 3.36Å; I231-V235 PolarHBondContact O-N 2.89Å; M232-V235 PolarHBondContact O-N 3.29Å; V235-W238 PolarHBondContact O-N 3.25Å; V235-L239 HydrophobicContact CG1-CD1 3.97Å; V235-L239 WeakPolarHBondContact O-CG 3.25Å; V235-L239 PolarHBondContact O-N 3.25Å |
| 236 | F | 89.3 | Confident | 84.6 | Confident | 10 Ų | 10 | 40.8 Ų | 40.8 | 4% | 0.044 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -71.7 | -34.9 | 179.8 | -83 | -79 | 0 | 0 | 0 | 112.4 | L28 L32 L55 I57 L84 F218 M232 V234 M240 | L28-F236 HydrophobicContact CD1-CE2 3.68Å; L28-F236 HydrophobicContact CD1-CZ 3.92Å; L32-F236 HydrophobicContact CD1-CD1 4.44Å; L32-F236 HydrophobicContact CD1-CE1 3.72Å; L32-F236 HydrophobicContact CD1-CZ 3.8Å; L32-F236 HydrophobicContact CD2-CD1 3.64Å; L32-F236 HydrophobicContact CD2-CD2 4.49Å; L32-F236 HydrophobicContact CD2-CE1 3.78Å; L32-F236 HydrophobicContact CD2-CG 4Å; L32-F236 HydrophobicContact CD2-CZ 4.31Å; L32-F236 HydrophobicContact CG-CE1 4.38Å; L55-F236 HydrophobicContact CD2-CD1 3.72Å; L55-F236 HydrophobicContact CD2-CE1 3.51Å; I57-F236 HydrophobicContact CD1-CE1 3.86Å; I57-F236 HydrophobicContact CD1-CZ 4.04Å; L84-F236 HydrophobicContact CD2-CZ 4.07Å; F218-F236 HydrophobicContact CE2-CE2 4.46Å; M232-F236 HydrophobicContact CG-CD2 3.61Å; M232-F236 HydrophobicContact CG-CE2 3.69Å; M232-F236 VanDerWaalsContact O-CD2 3.28Å; M232-F236 WeakPolarHBondContact O-CD2 3.42Å; M232-F236 PolarHBondContact O-N 3.44Å; V234-F236 PolarHBondContact O-N 3.03Å; F236-M240 HydrophobicContact CB-CE 3.62Å; F236-M240 HydrophobicContact CD1-CE 3.47Å; F236-M240 VanDerWaalsContact CD1-CE 3.47Å; F236-M240 HydrophobicContact CD1-SD 4.36Å; F236-M240 HydrophobicContact CG-CE 3.97Å; F236-M240 VanDerWaalsContact O-CB 3.31Å; F236-M240 WeakPolarHBondContact O-CB 3.35Å; F236-M240 PolarHBondContact O-N 2.64Å |
| 237 | Q | 88 | Confident | 84.3 | Confident | 100 Ų | 100 | 39.7 Ų | 39.7 | 47% | 0.467 | 21% | 0.21 | S | C | . | . | H | α-helix | trans | -65.2 | -38.9 | 171.7 | -77.4 | 173.7 | 5.5 | 0 | 0 | 112 | D233 V234 G241 I244 | D233-Q237 VanDerWaalsContact O-CB 3.22Å; D233-Q237 WeakPolarHBondContact O-CB 3.19Å; D233-Q237 WeakPolarHBondContact O-CG 3.07Å; D233-Q237 PolarHBondContact O-N 3.2Å; V234-Q237 PolarHBondContact O-N 3.24Å; Q237-G241 VanDerWaalsContact O-CA 3.23Å; Q237-G241 WeakPolarHBondContact O-CA 3.47Å; Q237-G241 PolarHBondContact O-N 3.28Å; Q237-I244 HydrophobicContact CB-CD1 3.71Å |
| 238 | W | 89.3 | Confident | 83.8 | Confident | 1 Ų | 1 | 45.6 Ų | 45.6 | 0% | 0.004 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -67.8 | -44.5 | 177.7 | 179.9 | 80.8 | 0 | 0 | 0 | 111.5 | F200 Q202 K208 A210 V234 V235 I244 | F200-W238 HydrophobicContact CB-CH2 3.54Å; F200-W238 HydrophobicContact CB-CZ2 3.7Å; F200-W238 HydrophobicContact CB-CZ3 3.97Å; F200-W238 HydrophobicContact CD1-CD2 4.38Å; F200-W238 AromaticContact CD1-CE3 3.78Å; F200-W238 HydrophobicContact CD1-CE3 3.78Å; F200-W238 HydrophobicContact CD1-CH2 4.16Å; F200-W238 AromaticContact CD1-CZ3 3.64Å; F200-W238 HydrophobicContact CD1-CZ3 3.64Å; F200-W238 AromaticContact CD2-CD2 3.51Å; F200-W238 HydrophobicContact CD2-CD2 3.51Å; F200-W238 AromaticContact CD2-CE2 3.57Å; F200-W238 AromaticContact CD2-CE3 3.77Å; F200-W238 HydrophobicContact CD2-CE3 3.77Å; F200-W238 AromaticContact CD2-CG 4Å; F200-W238 HydrophobicContact CD2-CG 4Å; F200-W238 HydrophobicContact CD2-CH2 4.16Å; F200-W238 AromaticContact CD2-CZ2 3.92Å; F200-W238 HydrophobicContact CD2-CZ2 3.92Å; F200-W238 HydrophobicContact CD2-CZ3 4.08Å; F200-W238 AromaticContact CD2-NE1 3.99Å; F200-W238 HydrophobicContact CE1-CD2 4.44Å; F200-W238 AromaticContact CE1-CE3 3.86Å; F200-W238 HydrophobicContact CE1-CE3 3.86Å; F200-W238 HydrophobicContact CE1-CZ3 4.16Å; F200-W238 HydrophobicContact CE2-CB 4.14Å; F200-W238 AromaticContact CE2-CD2 3.59Å; F200-W238 HydrophobicContact CE2-CD2 3.59Å; F200-W238 AromaticContact CE2-CE3 3.86Å; F200-W238 HydrophobicContact CE2-CE3 3.86Å; F200-W238 AromaticContact CE2-CG 3.68Å; F200-W238 HydrophobicContact CE2-CG 3.68Å; F200-W238 AromaticContact CG-CD2 3.96Å; F200-W238 HydrophobicContact CG-CD2 3.96Å; F200-W238 AromaticContact CG-CE2 3.98Å; F200-W238 AromaticContact CG-CE3 3.76Å; F200-W238 HydrophobicContact CG-CE3 3.76Å; F200-W238 AromaticContact CG-CH2 3.7Å; F200-W238 HydrophobicContact CG-CH2 3.7Å; F200-W238 AromaticContact CG-CZ2 3.89Å; F200-W238 HydrophobicContact CG-CZ2 3.89Å; F200-W238 AromaticContact CG-CZ3 3.62Å; F200-W238 HydrophobicContact CG-CZ3 3.62Å; F200-W238 HydrophobicContact CZ-CB 4.39Å; F200-W238 HydrophobicContact CZ-CD2 4.08Å; F200-W238 AromaticContact CZ-CE3 3.91Å; F200-W238 HydrophobicContact CZ-CE3 3.91Å; F200-W238 HydrophobicContact CZ-CG 4.28Å; Q202-W238 HydrophobicContact CB-CZ2 4.38Å; K208-W238 HydrophobicContact CB-CE3 4.45Å; K208-W238 HydrophobicContact CB-CH2 3.66Å; K208-W238 HydrophobicContact CB-CZ2 4.35Å; K208-W238 HydrophobicContact CB-CZ3 3.73Å; K208-W238 HydrophobicContact CD-CD2 4.38Å; K208-W238 HydrophobicContact CD-CE3 4.43Å; K208-W238 HydrophobicContact CD-CH2 4.32Å; K208-W238 HydrophobicContact CD-CZ2 4.26Å; K208-W238 HydrophobicContact CD-CZ3 4.41Å; K208-W238 WeakPolarHBondContact CD-O 3.42Å; K208-W238 WeakPolarHBondContact CE-O 3.44Å; K208-W238 HydrophobicContact CG-CH2 4.02Å; K208-W238 HydrophobicContact CG-CZ2 4.21Å; K208-W238 HydrophobicContact CG-CZ3 4.39Å; K208-W238 PolarHBondContact NZ-O 3.21Å; A210-W238 HydrophobicContact CB-CZ3 4.21Å; V234-W238 WeakPolarHBondContact O-CB 3.47Å; V234-W238 PolarHBondContact O-N 3.35Å; V235-W238 PolarHBondContact O-N 3.25Å; W238-I244 HydrophobicContact CB-CB 4.4Å; W238-I244 HydrophobicContact CB-CD1 4.21Å |
| 239 | L | 86.5 | Confident | 83.3 | Confident | 0 Ų | 0 | 51.3 Ų | 51.3 | 0% | 0 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -64.3 | -55.7 | 175.7 | -71 | 165.9 | 0 | 0 | 0 | 110.9 | L55 D82 L84 K208 A210 V235 | L55-L239 HydrophobicContact CD1-CD1 3.9Å; L55-L239 HydrophobicContact CD1-CD2 4.49Å; L55-L239 HydrophobicContact CD2-CD1 4.25Å; D82-L239 HydrophobicContact CB-CB 4.46Å; D82-L239 HydrophobicContact CB-CD2 4.23Å; D82-L239 VanDerWaalsContact OD2-O 3.06Å; L84-L239 HydrophobicContact CB-CD1 4.09Å; L84-L239 HydrophobicContact CD1-CD1 4.43Å; K208-L239 HydrophobicContact CB-CD2 3.96Å; A210-L239 HydrophobicContact CB-CD1 4.12Å; A210-L239 HydrophobicContact CB-CD2 3.93Å; A210-L239 HydrophobicContact CB-CG 4.3Å; V235-L239 HydrophobicContact CG1-CD1 3.97Å; V235-L239 WeakPolarHBondContact O-CG 3.25Å; V235-L239 PolarHBondContact O-N 3.25Å |
| 240 | M | 81.9 | Confident | 82.9 | Confident | 17 Ų | 17 | 50.7 Ų | 50.7 | 8% | 0.084 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -88.9 | -16.9 | -167 | -61.6 | -175.2 | -68.3 | 0 | 0 | 114.7 | V9 L32 W36 K54 L55 F236 | V9-M240 HydrophobicContact CG2-SD 4Å; L32-M240 HydrophobicContact CD2-CE 4.02Å; W36-M240 HydrophobicContact CD2-SD 3.95Å; W36-M240 VanDerWaalsContact CE2-SD 3.59Å; W36-M240 HydrophobicContact CG-SD 4.14Å; W36-M240 HydrophobicContact CH2-CB 4.41Å; W36-M240 HydrophobicContact CZ2-CB 3.83Å; W36-M240 HydrophobicContact CZ2-CG 4.39Å; W36-M240 HydrophobicContact CZ2-SD 4.05Å; K54-M240 WeakPolarHBondContact CE-O 3.41Å; K54-M240 HydrophobicContact CG-CG 4.39Å; K54-M240 PolarHBondContact NZ-O 3.14Å; K54-M240 VanDerWaalsContact NZ-O 3.17Å; L55-M240 HydrophobicContact CD2-CG 4.36Å; L55-M240 HydrophobicContact CD2-SD 4.21Å; F236-M240 HydrophobicContact CB-CE 3.62Å; F236-M240 HydrophobicContact CD1-CE 3.47Å; F236-M240 VanDerWaalsContact CD1-CE 3.47Å; F236-M240 HydrophobicContact CD1-SD 4.36Å; F236-M240 HydrophobicContact CG-CE 3.97Å; F236-M240 VanDerWaalsContact O-CB 3.31Å; F236-M240 WeakPolarHBondContact O-CB 3.35Å; F236-M240 PolarHBondContact O-N 2.64Å |
| 241 | G | 73.2 | Confident | 82.4 | Confident | 23 Ų | 23 | 48.4 Ų | 48.4 | 24% | 0.237 | 26% | 0.255 | C | S | . | . | trans | -116.4 | 161.4 | -179 | 0 | 0 | 0 | 0 | 0 | 113.6 | K208 Q237 | K208-G241 PolarHBondContact NZ-O 3.33Å; Q237-G241 VanDerWaalsContact O-CA 3.23Å; Q237-G241 WeakPolarHBondContact O-CA 3.47Å; Q237-G241 PolarHBondContact O-N 3.28Å | ||
| 242 | D | 65.6 | Low | 81.9 | Confident | 115 Ų | 115 | 54.5 Ų | 54.5 | 62% | 0.615 | 28% | 0.284 | S | S | * | . | S | Bend | trans | -98.1 | 7.6 | -178.9 | -63.9 | -25.3 | 0 | 0 | 0 | 112.7 | K208 | K208-D242 IonicContact NZ-OD1 2.64Š|
| 243 | N | 64.6 | Low | 81.3 | Confident | 149 Ų | 149 | 60.9 Ų | 60.9 | 80% | 0.797 | 32% | 0.318 | S | S | * | . | trans | -89.3 | -14.7 | -165.7 | -65.4 | -0.4 | 0 | 0 | 0 | 114.4 | ||||
| 244 | I | 75.3 | Confident | 80.8 | Confident | 17 Ų | 17 | 59 Ų | 59 | 9% | 0.087 | 31% | 0.309 | C | S | . | . | trans | -108.1 | 103.6 | -173.8 | -57.8 | 179.2 | 0 | 0 | 0 | 108.7 | E139 A143 V234 Q237 W238 | E139-I244 HydrophobicContact CG-CG2 3.87Å; A143-I244 HydrophobicContact CB-CD1 3.69Å; A143-I244 HydrophobicContact CB-CG1 4.24Å; V234-I244 HydrophobicContact CG1-CD1 4.27Å; Q237-I244 HydrophobicContact CB-CD1 3.71Å; W238-I244 HydrophobicContact CB-CB 4.4Å; W238-I244 HydrophobicContact CB-CD1 4.21Å | ||
| 245 | I | 79.8 | Confident | 80.1 | Confident | 135 Ų | 135 | 64.8 Ų | 64.8 | 69% | 0.692 | 34% | 0.336 | S | S | * | . | P | Polyproline II helix | trans | -101.3 | 117.8 | 174 | -59.3 | 172.7 | 0 | 0 | 0 | 107.5 | E139 | E139-I245 WeakPolarHBondContact CG-O 3.38Š|
| 246 | L | 81.3 | Confident | 79.6 | Confident | 27 Ų | 27 | 67.8 Ų | 67.8 | 14% | 0.141 | 35% | 0.351 | C | S | . | . | P | Polyproline II helix | trans | -61.8 | 141 | -179.9 | -61.6 | 176.2 | 0 | 0 | 0 | 110.7 | V181 F200 Q248 | V181-L246 HydrophobicContact CB-CD1 4.41Å; V181-L246 HydrophobicContact CG1-CD1 4.34Å; F200-L246 HydrophobicContact CB-CD1 4.26Å; F200-L246 HydrophobicContact CD2-CD1 4.11Å; F200-L246 HydrophobicContact CD2-CD2 4.09Å; F200-L246 HydrophobicContact CE2-CD2 4.45Å; L246-Q248 PolarHBondContact O-N 3.18Å |
| 247 | N | 82.7 | Confident | 79.1 | Confident | 44 Ų | 44 | 69.8 Ų | 69.8 | 24% | 0.235 | 36% | 0.364 | C | S | . | . | P | Polyproline II helix | trans | -64.4 | 125.8 | 173 | -169.8 | -60.7 | 0 | 0 | 0 | 109.8 | N137 R138 I249 D250 A251 | N137-N247 PolarHBondContact ND2-N 2.75Å; N137-N247 PolarHBondContact ND2-O 3.23Å; N137-N247 PolarHBondContact OD1-N 3.48Å; R138-N247 HydrophobicContact CG-CB 4.22Å; N247-I249 WeakPolarHBondContact OD1-CB 3.33Å; N247-I249 PolarHBondContact OD1-N 2.72Å; N247-D250 HydrophobicContact CB-CB 4.34Å; N247-A251 WeakPolarHBondContact O-CB 3.15Å; N247-A251 PolarHBondContact O-N 3.13Å |
| 248 | Q | 80.2 | Confident | 78.4 | Confident | 152 Ų | 152 | 72 Ų | 72 | 71% | 0.71 | 38% | 0.379 | S | S | * | . | H | α-helix | trans | -68.5 | -33.7 | -175.9 | -68.7 | -177.3 | -3.5 | 0 | 0 | 113 | L246 A251 E252 | L246-Q248 PolarHBondContact O-N 3.18Å; Q248-A251 PolarHBondContact O-N 3.23Å; Q248-E252 WeakPolarHBondContact O-CB 3.4Å; Q248-E252 WeakPolarHBondContact O-CG 3.47Å; Q248-E252 PolarHBondContact O-N 3.14Å |
| 249 | I | 81.1 | Confident | 77.6 | Confident | 121 Ų | 121 | 75.6 Ų | 75.6 | 62% | 0.621 | 39% | 0.393 | S | S | * | . | H | α-helix | trans | -66.1 | -52.7 | -179.5 | -58.3 | 170.2 | 0 | 0 | 0 | 109.2 | N247 A251 E252 D253 | N247-I249 WeakPolarHBondContact OD1-CB 3.33Å; N247-I249 PolarHBondContact OD1-N 2.72Å; I249-A251 PolarHBondContact O-N 3.47Å; I249-E252 PolarHBondContact O-N 2.81Å; I249-E252 VanDerWaalsContact O-N 3.16Å; I249-D253 PolarHBondContact O-N 3.42Å; I249-D253 VanDerWaalsContact O-N 3.1Å |
| 250 | D | 80.6 | Confident | 76.7 | Confident | 11 Ų | 11 | 80.2 Ų | 80.2 | 6% | 0.059 | 42% | 0.422 | C | S | . | . | H | α-helix | trans | -66.2 | -24.2 | 179 | -55.9 | -17.3 | 0 | 0 | 0 | 111.7 | R138 N247 | R138-D250 WeakPolarHBondContact CG-OD2 3.39Å; R138-D250 IonicContact CZ-OD1 2.83Å; R138-D250 IonicContact CZ-OD2 3.79Å; R138-D250 PolarHBondContact N-OD2 3.47Å; R138-D250 VanDerWaalsContact N-OD2 3.14Å; R138-D250 IonicContact NE-OD1 3.68Å; R138-D250 PolarHBondContact NE-OD1 3.06Å; R138-D250 IonicContact NE-OD2 2.67Å; R138-D250 PolarHBondContact NE-OD2 3.39Å; R138-D250 IonicContact NH2-OD1 2.76Å; R138-D250 PolarHBondContact NH2-OD1 3.37Å; R138-D250 IonicContact NH2-OD2 3.81Å; N247-D250 HydrophobicContact CB-CB 4.34Å |
| 251 | A | 80.6 | Confident | 76 | Confident | 19 Ų | 19 | 86.4 Ų | 86.4 | 16% | 0.157 | 45% | 0.452 | C | S | . | . | H | α-helix | trans | -80.2 | -30.7 | 175.7 | 0 | 0 | 0 | 0 | 0 | 113.4 | V181 N247 Q248 I249 | V181-A251 HydrophobicContact CB-CB 4.39Å; V181-A251 HydrophobicContact CG1-CB 3.56Å; V181-A251 HydrophobicContact CG2-CB 3.86Å; N247-A251 WeakPolarHBondContact O-CB 3.15Å; N247-A251 PolarHBondContact O-N 3.13Å; Q248-A251 PolarHBondContact O-N 3.23Å; I249-A251 PolarHBondContact O-N 3.47Å |
| 252 | E | 78.8 | Confident | 75.7 | Confident | 131 Ų | 131 | 91 Ų | 91 | 61% | 0.612 | 47% | 0.471 | S | S | * | . | H | α-helix | trans | -79.1 | -36.7 | 178.5 | -78.9 | -172.5 | 167.1 | 0 | 0 | 112.7 | Q248 I249 | Q248-E252 WeakPolarHBondContact O-CB 3.4Å; Q248-E252 WeakPolarHBondContact O-CG 3.47Å; Q248-E252 PolarHBondContact O-N 3.14Å; I249-E252 PolarHBondContact O-N 2.81Å; I249-E252 VanDerWaalsContact O-N 3.16Å |
| 253 | D | 78.1 | Confident | 75.8 | Confident | 136 Ų | 136 | 89.4 Ų | 89.4 | 73% | 0.727 | 47% | 0.467 | S | S | * | . | S | Bend | trans | -134.1 | 74.9 | -179 | -165 | 24.2 | 0 | 0 | 0 | 111.5 | I249 | I249-D253 PolarHBondContact O-N 3.42Å; I249-D253 VanDerWaalsContact O-N 3.1Å |
| 254 | P | 78.4 | Confident | 76.1 | Confident | 25 Ų | 25 | 87.4 Ų | 87.4 | 16% | 0.162 | 46% | 0.456 | C | S | . | . | trans | -71.6 | 141.4 | 176.1 | 29.6 | -33.8 | 0 | 0 | 0 | 111 | L136 A182 I256 | L136-P254 HydrophobicContact CD1-CB 4.36Å; A182-P254 HydrophobicContact CB-CB 4.49Å; P254-I256 HydrophobicContact CB-CG2 4.17Å; P254-I256 HydrophobicContact CG-CD1 4.35Å; P254-I256 HydrophobicContact CG-CG1 4.34Å; P254-I256 HydrophobicContact CG-CG2 4.41Å; P254-I256 PolarHBondContact O-N 3.33Å | ||
| 255 | E | 76.2 | Confident | 75.9 | Confident | 125 Ų | 125 | 91.8 Ų | 91.8 | 58% | 0.584 | 48% | 0.483 | S | S | * | . | trans | -70.8 | 70 | 176.8 | -66.5 | -178.2 | -170.5 | 0 | 0 | 112.5 | L136 | L136-E255 HydrophobicContact CD2-CB 4.35Š| ||
| 256 | I | 80.4 | Confident | 75.7 | Confident | 66 Ų | 66 | 86.8 Ų | 86.8 | 34% | 0.338 | 47% | 0.466 | S | S | . | . | trans | -110 | 149.9 | 179.8 | 61.8 | 169.9 | 0 | 0 | 0 | 111 | L136 N194 P196 P254 | L136-I256 HydrophobicContact CD1-CG2 3.82Å; L136-I256 HydrophobicContact CD2-CG2 4.45Å; N194-I256 WeakPolarHBondContact O-CA 3.33Å; P196-I256 HydrophobicContact CG-CG2 3.83Å; P254-I256 HydrophobicContact CB-CG2 4.17Å; P254-I256 HydrophobicContact CG-CD1 4.35Å; P254-I256 HydrophobicContact CG-CG1 4.34Å; P254-I256 HydrophobicContact CG-CG2 4.41Å; P254-I256 PolarHBondContact O-N 3.33Å | ||
| 257 | T | 78.5 | Confident | 75.4 | Confident | 51 Ų | 51 | 88.4 Ų | 88.4 | 31% | 0.313 | 48% | 0.479 | S | S | . | . | trans | -104.5 | 152.6 | 175.2 | 47.9 | 0 | 0 | 0 | 0 | 111.4 | L193 N194 R195 | L193-T257 PolarHBondContact O-OG1 3.11Å; N194-T257 HydrophobicContact CB-CG2 3.8Å; N194-T257 PolarHBondContact O-N 3.17Å; N194-T257 VanDerWaalsContact O-N 3.11Å; N194-T257 PolarHBondContact O-OG1 2.88Å; R195-T257 WeakPolarHBondContact CD-O 3.34Å; R195-T257 PolarHBondContact NH1-O 3.4Å | ||
| 258 | D | 74.2 | Confident | 74.8 | Confident | 146 Ų | 146 | 89.4 Ų | 89.4 | 78% | 0.781 | 48% | 0.484 | S | S | * | . | trans | -64.9 | 147.7 | 174.4 | -72 | -32.6 | 0 | 0 | 0 | 112.1 | T260 | D258-T260 PolarHBondContact O-N 2.95Š| ||
| 259 | Y | 71.2 | Confident | 74.7 | Confident | 77 Ų | 77 | 86.5 Ų | 86.5 | 30% | 0.302 | 48% | 0.48 | S | S | . | . | trans | -69.4 | 106.8 | 179.8 | -161.7 | -81.8 | 0 | 0 | 0 | 109.5 | D113 R195 M261 | D113-Y259 WeakPolarHBondContact CB-OH 3.04Å; D113-Y259 WeakPolarHBondContact OD2-CE2 3.46Å; R195-Y259 VanDerWaalsContact CZ-CB 3.49Å; R195-Y259 VanDerWaalsContact NH1-N 3.18Å; R195-Y259 VanDerWaalsContact NH2-CD2 3.32Å; Y259-M261 HydrophobicContact CD1-CE 3.46Å; Y259-M261 VanDerWaalsContact CD1-CE 3.46Å; Y259-M261 HydrophobicContact CD1-CG 3.83Å; Y259-M261 HydrophobicContact CD1-SD 3.8Å; Y259-M261 HydrophobicContact CE1-CE 3.28Å; Y259-M261 HydrophobicContact CE1-CG 3.86Å; Y259-M261 HydrophobicContact CE1-SD 3.28Å; Y259-M261 WeakPolarHBondContact CE1-SD 3.33Å; Y259-M261 HydrophobicContact CG-CE 4.43Å; Y259-M261 PolarHBondContact O-N 2.77Å | ||
| 260 | T | 68.1 | Low | 74.6 | Confident | 98 Ų | 98 | 88.3 Ų | 88.3 | 60% | 0.601 | 49% | 0.486 | S | S | * | . | trans | -90.4 | 104.4 | 173.1 | -52.7 | 0 | 0 | 0 | 0 | 108.8 | D258 L262 | D258-T260 PolarHBondContact O-N 2.95Å; T260-L262 PolarHBondContact O-N 2.75Å; T260-L262 VanDerWaalsContact O-N 3.12Å | ||
| 261 | M | 68.2 | Low | 74.3 | Confident | 147 Ų | 147 | 95.9 Ų | 95.9 | 72% | 0.724 | 51% | 0.513 | S | S | * | . | trans | -65.7 | 109.1 | 171 | -67.7 | -78.1 | 169.9 | 0 | 0 | 108.5 | Y259 | Y259-M261 HydrophobicContact CD1-CE 3.46Å; Y259-M261 VanDerWaalsContact CD1-CE 3.46Å; Y259-M261 HydrophobicContact CD1-CG 3.83Å; Y259-M261 HydrophobicContact CD1-SD 3.8Å; Y259-M261 HydrophobicContact CE1-CE 3.28Å; Y259-M261 HydrophobicContact CE1-CG 3.86Å; Y259-M261 HydrophobicContact CE1-SD 3.28Å; Y259-M261 WeakPolarHBondContact CE1-SD 3.33Å; Y259-M261 HydrophobicContact CG-CE 4.43Å; Y259-M261 PolarHBondContact O-N 2.77Å | ||
| 262 | L | 66.3 | Low | 73.4 | Confident | 119 Ų | 119 | 102.8 Ų | 102.8 | 62% | 0.623 | 55% | 0.547 | S | S | * | . | trans | -74.3 | 125.7 | 166.4 | -75.8 | 176.5 | 0 | 0 | 0 | 108.3 | F191 T260 | F191-L262 HydrophobicContact CD1-CD1 4.46Å; F191-L262 HydrophobicContact CE1-CD1 3.57Å; F191-L262 HydrophobicContact CE1-CG 4.27Å; F191-L262 HydrophobicContact CE2-CD1 3.74Å; F191-L262 HydrophobicContact CE2-CG 4.3Å; F191-L262 HydrophobicContact CZ-CD1 3.16Å; F191-L262 HydrophobicContact CZ-CG 3.59Å; T260-L262 PolarHBondContact O-N 2.75Å; T260-L262 VanDerWaalsContact O-N 3.12Å | ||
| 263 | P | 67 | Low | 72.5 | Confident | 82 Ų | 82 | 107.1 Ų | 107.1 | 53% | 0.532 | 56% | 0.557 | S | S | . | * | trans | -65.7 | 144.4 | 172.5 | 29.3 | -33.8 | 0 | 0 | 0 | 109.5 | T265 L268 | P263-T265 PolarHBondContact O-N 3.23Å; P263-L268 HydrophobicContact CB-CD1 3.73Å; P263-L268 HydrophobicContact CG-CD1 4.16Å | ||
| 264 | D | 71.1 | Confident | 71.6 | Confident | 106 Ų | 106 | 106.9 Ų | 106.9 | 57% | 0.567 | 56% | 0.561 | S | S | * | * | trans | -64.8 | 97.7 | 176.9 | -176.7 | -13.7 | 0 | 0 | 0 | 109.7 | G266 C267 L268 | D264-G266 PolarHBondContact O-N 2.67Å; D264-G266 WeakPolarHBondContact OD1-CA 3.38Å; D264-G266 PolarHBondContact OD1-N 3.19Å; D264-C267 HydrophobicContact CB-CB 3.94Å; D264-C267 PolarHBondContact O-N 2.83Å; D264-C267 PolarHBondContact OD1-N 3.34Å; D264-C267 WeakPolarHBondContact OD2-CB 3.21Å; D264-L268 WeakPolarHBondContact O-CB 3.49Å; D264-L268 VanDerWaalsContact O-CG 3.27Å; D264-L268 WeakPolarHBondContact O-CG 3.32Å; D264-L268 PolarHBondContact O-N 2.76Å | ||
| 265 | T | 70.4 | Confident | 70.3 | Confident | 109 Ų | 109 | 111 Ų | 111 | 67% | 0.669 | 59% | 0.589 | S | S | * | * | H | α-helix | trans | -65.3 | -26.4 | -179.2 | 53.4 | 0 | 0 | 0 | 0 | 111.8 | P263 S269 | P263-T265 PolarHBondContact O-N 3.23Å; T265-S269 WeakPolarHBondContact O-CB 3.26Å; T265-S269 PolarHBondContact O-N 3.4Å; T265-S269 PolarHBondContact O-OG 2.83Å; T265-S269 VanDerWaalsContact O-OG 3.11Å |
| 266 | G | 76.4 | Confident | 69.3 | Low | 31 Ų | 31 | 113.1 Ų | 113.1 | 32% | 0.32 | 60% | 0.603 | S | S | . | * | H | α-helix | trans | -65.6 | -59.1 | 173.4 | 0 | 0 | 0 | 0 | 0 | 110.3 | D264 L268 S269 E270 | D264-G266 PolarHBondContact O-N 2.67Å; D264-G266 WeakPolarHBondContact OD1-CA 3.38Å; D264-G266 PolarHBondContact OD1-N 3.19Å; G266-L268 VanDerWaalsContact C-N 3.27Å; G266-L268 PolarHBondContact O-N 2.92Å; G266-S269 PolarHBondContact O-N 3.01Å; G266-S269 PolarHBondContact O-OG 3.29Å; G266-E270 PolarHBondContact O-N 2.94Å |
| 267 | C | 74.3 | Confident | 67.9 | Low | 61 Ų | 61 | 118.6 Ų | 118.6 | 41% | 0.412 | 63% | 0.628 | S | S | . | * | H | α-helix | trans | -58.1 | -38.6 | 175.9 | -173.4 | 0 | 0 | 0 | 0 | 112.4 | D264 S269 E270 R271 | D264-C267 HydrophobicContact CB-CB 3.94Å; D264-C267 PolarHBondContact O-N 2.83Å; D264-C267 PolarHBondContact OD1-N 3.34Å; D264-C267 WeakPolarHBondContact OD2-CB 3.21Å; C267-S269 VanDerWaalsContact C-N 3.32Å; C267-S269 PolarHBondContact O-N 3.12Å; C267-E270 PolarHBondContact O-N 2.89Å; C267-R271 PolarHBondContact O-N 3.44Å |
| 268 | L | 71.9 | Confident | 66.8 | Low | 65 Ų | 65 | 124.6 Ų | 124.6 | 34% | 0.34 | 65% | 0.652 | S | S | . | * | H | α-helix | trans | -68.6 | -27.1 | 175.1 | -74.5 | 179.4 | 0 | 0 | 0 | 113.8 | P263 D264 G266 | P263-L268 HydrophobicContact CB-CD1 3.73Å; P263-L268 HydrophobicContact CG-CD1 4.16Å; D264-L268 WeakPolarHBondContact O-CB 3.49Å; D264-L268 VanDerWaalsContact O-CG 3.27Å; D264-L268 WeakPolarHBondContact O-CG 3.32Å; D264-L268 PolarHBondContact O-N 2.76Å; G266-L268 VanDerWaalsContact C-N 3.27Å; G266-L268 PolarHBondContact O-N 2.92Å |
| 269 | S | 76.9 | Confident | 66.2 | Low | 90 Ų | 90 | 120.6 Ų | 120.6 | 63% | 0.629 | 65% | 0.646 | S | S | * | * | H | α-helix | trans | -81.7 | -27.6 | 176.3 | 66.1 | 0 | 0 | 0 | 0 | 112.5 | T265 G266 C267 R271 | T265-S269 WeakPolarHBondContact O-CB 3.26Å; T265-S269 PolarHBondContact O-N 3.4Å; T265-S269 PolarHBondContact O-OG 2.83Å; T265-S269 VanDerWaalsContact O-OG 3.11Å; G266-S269 PolarHBondContact O-N 3.01Å; G266-S269 PolarHBondContact O-OG 3.29Å; C267-S269 VanDerWaalsContact C-N 3.32Å; C267-S269 PolarHBondContact O-N 3.12Å; S269-R271 VanDerWaalsContact C-N 3.28Å |
| 270 | E | 79.9 | Confident | 65.8 | Low | 160 Ų | 160 | 125.7 Ų | 125.7 | 75% | 0.748 | 67% | 0.672 | S | S | * | * | H | α-helix | trans | -71.5 | -21.5 | 170 | -71.2 | 179.4 | 179 | 0 | 0 | 112.9 | G266 C267 L272 | G266-E270 PolarHBondContact O-N 2.94Å; C267-E270 PolarHBondContact O-N 2.89Å; E270-L272 PolarHBondContact O-N 2.84Å |
| 271 | R | 72.8 | Confident | 65.6 | Low | 169 Ų | 169 | 129.1 Ų | 129.1 | 64% | 0.638 | 68% | 0.681 | S | S | * | * | S | Bend | trans | -63.2 | 107.2 | 167.7 | -71.2 | -176 | -177.7 | -176.4 | 0 | 108.3 | C267 S269 R273 | C267-R271 PolarHBondContact O-N 3.44Å; S269-R271 VanDerWaalsContact C-N 3.28Å; R271-R273 PolarHBondContact O-N 3.03Å |
| 272 | L | 63.2 | Low | 65.4 | Low | 164 Ų | 164 | 128.2 Ų | 128.2 | 86% | 0.859 | 68% | 0.68 | S | S | * | * | trans | -47.7 | 101.9 | 168.1 | -85 | 157.5 | 0 | 0 | 0 | 108.7 | E270 V274 | E270-L272 PolarHBondContact O-N 2.84Å; L272-V274 VanDerWaalsContact C-N 3.26Å; L272-V274 PolarHBondContact O-N 2.84Å | ||
| 273 | R | 59.7 | Low | 65.4 | Low | 222 Ų | 222 | 125.5 Ų | 125.5 | 84% | 0.838 | 67% | 0.669 | S | S | * | * | trans | -70.3 | 94 | 166.2 | -66.9 | -170.3 | -177.4 | -169.6 | 0.9 | 105.3 | R271 C275 | R271-R273 PolarHBondContact O-N 3.03Å; R273-C275 PolarHBondContact O-N 3.44Å; R273-C275 VanDerWaalsContact O-N 3.14Å | ||
| 274 | V | 59.3 | Low | 65.6 | Low | 131 Ų | 131 | 133 Ų | 133 | 79% | 0.794 | 69% | 0.687 | S | S | * | * | trans | -54.1 | 123.5 | 170.2 | -174.9 | 0 | 0 | 0 | 0 | 105.9 | L272 L276 | L272-V274 VanDerWaalsContact C-N 3.26Å; L272-V274 PolarHBondContact O-N 2.84Å; V274-L276 PolarHBondContact O-N 3.32Å | ||
| 275 | C | 50.9 | Low | 65.4 | Low | 113 Ų | 113 | 132.6 Ų | 132.6 | 76% | 0.764 | 68% | 0.684 | S | S | * | * | S | Bend | trans | -35.5 | 135.1 | -179.9 | -56.8 | 0 | 0 | 0 | 0 | 111.2 | R273 Q277 | R273-C275 PolarHBondContact O-N 3.44Å; R273-C275 VanDerWaalsContact O-N 3.14Å; C275-Q277 PolarHBondContact O-N 3.26Å |
| 276 | L | 55.4 | Low | 65.5 | Low | 168 Ų | 168 | 134.1 Ų | 134.1 | 88% | 0.88 | 68% | 0.682 | S | S | * | * | trans | 11.8 | 82.2 | 162.5 | -75.9 | 156 | 0 | 0 | 0 | 111.7 | V274 E278 | V274-L276 PolarHBondContact O-N 3.32Å; L276-E278 PolarHBondContact O-N 3.06Å | ||
| 277 | Q | 50.4 | Low | 65.3 | Low | 182 Ų | 182 | 136.2 Ų | 136.2 | 85% | 0.85 | 69% | 0.689 | S | S | * | * | trans | -61.2 | 100.5 | 160.9 | -164.5 | 171.7 | 8.5 | 0 | 0 | 102.8 | C275 G279 | C275-Q277 PolarHBondContact O-N 3.26Å; Q277-G279 PolarHBondContact O-N 2.89Å | ||
| 278 | E | 56.1 | Low | 64.9 | Low | 176 Ų | 176 | 136.9 Ų | 136.9 | 82% | 0.822 | 69% | 0.694 | S | S | * | * | trans | -45.5 | 115.2 | 160.6 | -74.5 | -179.4 | 160.8 | 0 | 0 | 103.5 | L276 E280 | L276-E278 PolarHBondContact O-N 3.06Å; E278-E280 PolarHBondContact O-N 2.84Å | ||
| 279 | G | 60.2 | Low | 64.7 | Low | 63 Ų | 63 | 138.9 Ų | 138.9 | 65% | 0.649 | 71% | 0.705 | S | S | * | * | trans | -49.7 | 143.3 | 174.3 | 0 | 0 | 0 | 0 | 0 | 107.1 | Q277 E281 | Q277-G279 PolarHBondContact O-N 2.89Å; G279-E281 PolarHBondContact O-N 2.94Å; G279-E281 VanDerWaalsContact O-N 3.1Å | ||
| 280 | E | 63 | Low | 64.1 | Low | 184 Ų | 184 | 140.7 Ų | 140.7 | 86% | 0.86 | 70% | 0.701 | S | S | * | * | trans | -42.5 | 127.6 | 174.8 | -70.8 | -175 | 156.1 | 0 | 0 | 108.5 | E278 N282 | E278-E280 PolarHBondContact O-N 2.84Å; E280-N282 PolarHBondContact O-N 2.75Å | ||
| 281 | E | 63.3 | Low | 63.2 | Low | 169 Ų | 169 | 137.7 Ų | 137.7 | 79% | 0.79 | 69% | 0.691 | S | S | * | * | trans | -47.5 | 115.3 | -179.3 | -93.6 | -167.7 | 150.4 | 0 | 0 | 107.5 | G279 P283 | G279-E281 PolarHBondContact O-N 2.94Å; G279-E281 VanDerWaalsContact O-N 3.1Å; E281-P283 VanDerWaalsContact O-N 3.11Å | ||
| 282 | N | 65.8 | Low | 62.7 | Low | 129 Ų | 129 | 137 Ų | 137 | 69% | 0.69 | 70% | 0.696 | S | S | * | * | trans | -50 | 128.3 | 176.8 | -77.3 | -15.3 | 0 | 0 | 0 | 107 | E280 R284 | E280-N282 PolarHBondContact O-N 2.75Å; N282-R284 PolarHBondContact O-N 2.92Å; N282-R284 VanDerWaalsContact O-N 3.15Å | ||
| 283 | P | 66.5 | Low | 62.6 | Low | 61 Ų | 61 | 133.1 Ų | 133.1 | 40% | 0.396 | 68% | 0.683 | S | S | . | * | trans | -52.8 | 129.4 | -178.8 | 17.9 | -29.5 | 0 | 0 | 0 | 108.7 | E281 D285 S288 L289 | E281-P283 VanDerWaalsContact O-N 3.11Å; P283-D285 CarbonylContact O-C 3.48Å; P283-D285 PolarHBondContact O-N 2.69Å; P283-S288 VanDerWaalsContact CB-OG 3.24Å; P283-S288 WeakPolarHBondContact CB-OG 3.49Å; P283-S288 WeakPolarHBondContact CG-OG 3.36Å; P283-L289 HydrophobicContact CG-CD2 3.99Å; P283-L289 HydrophobicContact CG-CG 4.06Å | ||
| 284 | R | 69.8 | Low | 62.5 | Low | 241 Ų | 241 | 129.5 Ų | 129.5 | 91% | 0.909 | 68% | 0.68 | S | S | * | * | S | Bend | trans | -54 | -24.1 | -176.1 | -67.9 | -177.8 | 179.8 | -179.9 | -0.1 | 112.7 | N282 | N282-R284 PolarHBondContact O-N 2.92Å; N282-R284 VanDerWaalsContact O-N 3.15Å |
| 285 | D | 67.1 | Low | 62.4 | Low | 96 Ų | 96 | 130.3 Ų | 130.3 | 51% | 0.513 | 68% | 0.679 | S | S | . | * | S | Bend | trans | -97.2 | 97.8 | 173.3 | -154.1 | -17.7 | 0 | 0 | 0 | 110.3 | P283 T287 S288 | P283-D285 CarbonylContact O-C 3.48Å; P283-D285 PolarHBondContact O-N 2.69Å; D285-T287 PolarHBondContact O-N 2.93Å; D285-T287 PolarHBondContact OD1-OG1 3.05Å; D285-S288 WeakPolarHBondContact O-CB 2.97Å; D285-S288 PolarHBondContact O-N 3.33Å; D285-S288 PolarHBondContact O-OG 3Å |
| 286 | F | 72.9 | Confident | 62.8 | Low | 141 Ų | 141 | 132.8 Ų | 132.8 | 62% | 0.618 | 68% | 0.676 | S | S | * | * | G | 310 helix | trans | -57 | -19.2 | -179 | 68.2 | -86.3 | 0 | 0 | 0 | 113 | S288 L289 F290 | F286-S288 VanDerWaalsContact C-N 3.27Å; F286-S288 PolarHBondContact O-N 3.01Å; F286-L289 WeakPolarHBondContact O-CB 3.35Å; F286-L289 PolarHBondContact O-N 3.38Å; F286-F290 AromaticContact CD2-CE2 3.98Å; F286-F290 HydrophobicContact CD2-CE2 3.98Å; F286-F290 WeakPolarHBondContact O-CD2 3.42Å; F286-F290 WeakPolarHBondContact O-CE2 3.33Å |
| 287 | T | 71.4 | Confident | 63 | Low | 75 Ų | 75 | 132.9 Ų | 132.9 | 46% | 0.46 | 68% | 0.677 | S | S | . | * | G | 310 helix | trans | -67.3 | -24.8 | 176.7 | 53.1 | 0 | 0 | 0 | 0 | 113.6 | D285 L289 F290 | D285-T287 PolarHBondContact O-N 2.93Å; D285-T287 PolarHBondContact OD1-OG1 3.05Å; T287-L289 PolarHBondContact O-N 2.97Å; T287-F290 PolarHBondContact O-N 3.34Å; T287-F290 VanDerWaalsContact O-N 3.17Å |
| 288 | S | 67.2 | Low | 63.5 | Low | 75 Ų | 75 | 126.8 Ų | 126.8 | 52% | 0.524 | 65% | 0.654 | S | S | . | * | G | 310 helix | trans | -71.4 | -17.2 | 176.3 | 62.1 | 0 | 0 | 0 | 0 | 114.2 | P283 D285 F286 F290 | P283-S288 VanDerWaalsContact CB-OG 3.24Å; P283-S288 WeakPolarHBondContact CB-OG 3.49Å; P283-S288 WeakPolarHBondContact CG-OG 3.36Å; D285-S288 WeakPolarHBondContact O-CB 2.97Å; D285-S288 PolarHBondContact O-N 3.33Å; D285-S288 PolarHBondContact O-OG 3Å; F286-S288 VanDerWaalsContact C-N 3.27Å; F286-S288 PolarHBondContact O-N 3.01Å; S288-F290 VanDerWaalsContact C-N 3.28Å |
| 289 | L | 66.9 | Low | 64.3 | Low | 108 Ų | 108 | 123.4 Ų | 123.4 | 57% | 0.565 | 65% | 0.646 | S | S | * | * | G | 310 helix | trans | -79.5 | -13.9 | 173.1 | -63.8 | 167.8 | 0 | 0 | 0 | 112.1 | P283 F286 T287 D291 | P283-L289 HydrophobicContact CG-CD2 3.99Å; P283-L289 HydrophobicContact CG-CG 4.06Å; F286-L289 WeakPolarHBondContact O-CB 3.35Å; F286-L289 PolarHBondContact O-N 3.38Å; T287-L289 PolarHBondContact O-N 2.97Å; L289-D291 PolarHBondContact O-N 3.26Å |
| 290 | F | 63.8 | Low | 65.3 | Low | 127 Ų | 127 | 126.8 Ų | 126.8 | 56% | 0.557 | 65% | 0.649 | S | S | * | * | trans | -92 | 93.7 | 176.4 | -66.1 | -88.3 | 0 | 0 | 0 | 109.6 | F286 T287 S288 M292 | F286-F290 AromaticContact CD2-CE2 3.98Å; F286-F290 HydrophobicContact CD2-CE2 3.98Å; F286-F290 WeakPolarHBondContact O-CD2 3.42Å; F286-F290 WeakPolarHBondContact O-CE2 3.33Å; T287-F290 PolarHBondContact O-N 3.34Å; T287-F290 VanDerWaalsContact O-N 3.17Å; S288-F290 VanDerWaalsContact C-N 3.28Å; F290-M292 VanDerWaalsContact C-N 3.29Å; F290-M292 HydrophobicContact CB-CE 4.24Å; F290-M292 PolarHBondContact O-N 3.05Å | ||
| 291 | D | 60.6 | Low | 66 | Low | 98 Ų | 98 | 122 Ų | 122 | 52% | 0.524 | 63% | 0.633 | S | S | . | * | trans | -72.3 | 88.3 | 167.5 | -167.8 | -3.8 | 0 | 0 | 0 | 109.9 | L289 S293 L294 | L289-D291 PolarHBondContact O-N 3.26Å; D291-S293 VanDerWaalsContact CG-OG 3.24Å; D291-S293 PolarHBondContact O-N 3.05Å; D291-S293 VanDerWaalsContact O-N 3.1Å; D291-S293 WeakPolarHBondContact OD1-CB 3.42Å; D291-S293 PolarHBondContact OD1-N 3.17Å; D291-S293 VanDerWaalsContact OD1-N 3.1Å; D291-S293 PolarHBondContact OD1-OG 3.38Å; D291-S293 PolarHBondContact OD2-OG 3.32Å; D291-L294 HydrophobicContact CB-CD1 4.25Å; D291-L294 PolarHBondContact O-N 2.75Å | ||
| 292 | M | 62.3 | Low | 66.9 | Low | 154 Ų | 154 | 118.5 Ų | 118.5 | 76% | 0.759 | 62% | 0.619 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -66.5 | -4.2 | 177.4 | -67.2 | -79.3 | -176.3 | 0 | 0 | 112.9 | F290 | F290-M292 VanDerWaalsContact C-N 3.29Å; F290-M292 HydrophobicContact CB-CE 4.24Å; F290-M292 PolarHBondContact O-N 3.05Å |
| 293 | S | 61.5 | Low | 67.7 | Low | 83 Ų | 83 | 116.4 Ų | 116.4 | 58% | 0.58 | 61% | 0.612 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -77.1 | -28.1 | 177.7 | 77.5 | 0 | 0 | 0 | 0 | 113.1 | D291 L295 | D291-S293 VanDerWaalsContact CG-OG 3.24Å; D291-S293 PolarHBondContact O-N 3.05Å; D291-S293 VanDerWaalsContact O-N 3.1Å; D291-S293 WeakPolarHBondContact OD1-CB 3.42Å; D291-S293 PolarHBondContact OD1-N 3.17Å; D291-S293 VanDerWaalsContact OD1-N 3.1Å; D291-S293 PolarHBondContact OD1-OG 3.38Å; D291-S293 PolarHBondContact OD2-OG 3.32Å; S293-L295 VanDerWaalsContact C-N 3.27Å; S293-L295 PolarHBondContact O-N 2.65Å |
| 294 | L | 59 | Low | 68.5 | Low | 146 Ų | 146 | 119.7 Ų | 119.7 | 76% | 0.764 | 62% | 0.622 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -73.3 | -17.7 | -178.5 | -72.8 | 165.8 | 0 | 0 | 0 | 113.2 | D291 | D291-L294 HydrophobicContact CB-CD1 4.25Å; D291-L294 PolarHBondContact O-N 2.75Å |
| 295 | L | 56.2 | Low | 69.1 | Low | 148 Ų | 148 | 111.7 Ų | 111.7 | 78% | 0.775 | 60% | 0.6 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -130.1 | 55.4 | -174.5 | -117.9 | 147.1 | 0 | 0 | 0 | 112 | S293 L297 | S293-L295 VanDerWaalsContact C-N 3.27Å; S293-L295 PolarHBondContact O-N 2.65Å; L295-L297 PolarHBondContact O-N 2.62Å |
| 296 | K | 60 | Low | 69.9 | Low | 164 Ų | 164 | 110.5 Ų | 110.5 | 71% | 0.713 | 59% | 0.593 | S | S | * | * | trans | -87.5 | 94.6 | 172.1 | -162.4 | 176.7 | -177 | 174.4 | 0 | 110.8 | S298 | K296-S298 VanDerWaalsContact C-N 3.31Å; K296-S298 PolarHBondContact O-N 3.07Å; K296-S298 PolarHBondContact O-OG 2.94Å | ||
| 297 | L | 59.5 | Low | 70.5 | Confident | 171 Ų | 171 | 106.4 Ų | 106.4 | 90% | 0.895 | 58% | 0.582 | S | S | * | * | trans | -61.3 | 92.5 | 165.5 | -88.7 | 155.8 | 0 | 0 | 0 | 109.3 | L295 | L295-L297 PolarHBondContact O-N 2.62Š| ||
| 298 | S | 61.3 | Low | 71 | Confident | 54 Ų | 54 | 105.3 Ų | 105.3 | 38% | 0.378 | 58% | 0.577 | S | S | . | * | trans | -98.2 | 114.1 | -175 | -50.7 | 0 | 0 | 0 | 0 | 109.4 | K296 N300 | K296-S298 VanDerWaalsContact C-N 3.31Å; K296-S298 PolarHBondContact O-N 3.07Å; K296-S298 PolarHBondContact O-OG 2.94Å; S298-N300 PolarHBondContact O-N 2.84Å | ||
| 299 | T | 72.8 | Confident | 71.9 | Confident | 105 Ų | 105 | 105.5 Ų | 105.5 | 64% | 0.644 | 57% | 0.567 | S | S | * | * | G | 310 helix | trans | -76.6 | 9.8 | 174.4 | 33.5 | 0 | 0 | 0 | 0 | 113.8 | T301 L302 | T299-T301 PolarHBondContact O-N 3.12Å; T299-T301 VanDerWaalsContact O-N 3.16Å; T299-L302 WeakPolarHBondContact O-CB 3.48Å; T299-L302 PolarHBondContact O-N 2.85Å |
| 300 | N | 79.6 | Confident | 72.7 | Confident | 133 Ų | 133 | 108.8 Ų | 108.8 | 71% | 0.711 | 58% | 0.577 | S | S | * | * | G | 310 helix | trans | -60.1 | -27.5 | -177 | -64.1 | -5.8 | 0 | 0 | 0 | 113.4 | S298 P303 | S298-N300 PolarHBondContact O-N 2.84Å; N300-P303 WeakPolarHBondContact O-CD 3.19Å |
| 301 | T | 78.1 | Confident | 73.8 | Confident | 84 Ų | 84 | 110.2 Ų | 110.2 | 52% | 0.515 | 59% | 0.585 | S | S | . | * | G | 310 helix | trans | -88.1 | -10.9 | 179.6 | 43.8 | 0 | 0 | 0 | 0 | 113.6 | T299 P303 Q304 V305 | T299-T301 PolarHBondContact O-N 3.12Å; T299-T301 VanDerWaalsContact O-N 3.16Å; T301-P303 VanDerWaalsContact C-CD 3.44Å; T301-Q304 WeakPolarHBondContact O-CB 3.26Å; T301-Q304 PolarHBondContact O-N 3.46Å; T301-V305 PolarHBondContact O-N 3.24Å; T301-V305 VanDerWaalsContact O-N 3.17Å |
| 302 | L | 81.8 | Confident | 74.9 | Confident | 95 Ų | 95 | 112.2 Ų | 112.2 | 50% | 0.497 | 59% | 0.593 | S | S | . | * | H | α-helix | trans | -57.6 | -40.8 | -179.9 | -164 | 79 | 0 | 0 | 0 | 113.7 | T299 Q304 V305 I306 | T299-L302 WeakPolarHBondContact O-CB 3.48Å; T299-L302 PolarHBondContact O-N 2.85Å; L302-Q304 VanDerWaalsContact C-N 3.31Å; L302-Q304 PolarHBondContact O-N 3.23Å; L302-V305 PolarHBondContact O-N 3.31Å; L302-I306 HydrophobicContact CD2-CD1 4.36Å; L302-I306 HydrophobicContact CG-CD1 4.1Å; L302-I306 WeakPolarHBondContact O-CG1 3.49Å; L302-I306 PolarHBondContact O-N 3.06Å |
| 303 | P | 84.1 | Confident | 75.9 | Confident | 86 Ų | 86 | 112.3 Ų | 112.3 | 56% | 0.558 | 60% | 0.596 | S | S | * | * | H | α-helix | trans | -63.3 | -36.4 | 178 | -21.1 | 33.6 | 0 | 0 | 0 | 112.9 | N300 T301 S307 | N300-P303 WeakPolarHBondContact O-CD 3.19Å; T301-P303 VanDerWaalsContact C-CD 3.44Å; P303-S307 PolarHBondContact O-N 3.18Å |
| 304 | Q | 82.9 | Confident | 76.8 | Confident | 130 Ų | 130 | 112 Ų | 112 | 61% | 0.607 | 59% | 0.591 | S | S | * | * | H | α-helix | trans | -65.8 | -45.1 | 176.4 | -68.8 | 178.8 | -18.8 | 0 | 0 | 110.4 | T301 L302 I306 S307 S308 | T301-Q304 WeakPolarHBondContact O-CB 3.26Å; T301-Q304 PolarHBondContact O-N 3.46Å; L302-Q304 VanDerWaalsContact C-N 3.31Å; L302-Q304 PolarHBondContact O-N 3.23Å; Q304-I306 PolarHBondContact O-N 2.86Å; Q304-S307 PolarHBondContact O-N 2.73Å; Q304-S307 VanDerWaalsContact O-N 3.17Å; Q304-S307 PolarHBondContact O-OG 3.24Å; Q304-S308 PolarHBondContact O-N 3.02Å; Q304-S308 PolarHBondContact O-OG 3Å; Q304-S308 VanDerWaalsContact O-OG 3.11Å |
| 305 | V | 81.8 | Confident | 77.8 | Confident | 73 Ų | 73 | 112.4 Ų | 112.4 | 44% | 0.442 | 59% | 0.587 | S | S | . | * | H | α-helix | trans | -59.7 | -46.7 | 177.2 | 176 | 0 | 0 | 0 | 0 | 111.5 | T301 L302 S307 S308 Y309 | T301-V305 PolarHBondContact O-N 3.24Å; T301-V305 VanDerWaalsContact O-N 3.17Å; L302-V305 PolarHBondContact O-N 3.31Å; V305-S307 VanDerWaalsContact C-N 3.27Å; V305-S307 PolarHBondContact O-N 2.6Å; V305-S308 WeakPolarHBondContact O-CB 3.37Å; V305-S308 PolarHBondContact O-N 2.52Å; V305-S308 VanDerWaalsContact O-N 3.13Å; V305-Y309 HydrophobicContact CG1-CD2 4.38Å; V305-Y309 HydrophobicContact CG1-CE2 3.95Å; V305-Y309 VanDerWaalsContact O-CD2 3.31Å; V305-Y309 WeakPolarHBondContact O-CD2 3.27Å; V305-Y309 PolarHBondContact O-N 3.41Å |
| 306 | I | 83.4 | Confident | 78.8 | Confident | 70 Ų | 70 | 111.4 Ų | 111.4 | 36% | 0.359 | 58% | 0.578 | S | S | . | * | H | α-helix | trans | -61.8 | -36.6 | 177.7 | -65.5 | 166.8 | 0 | 0 | 0 | 111.4 | L302 Q304 S308 Y309 | L302-I306 HydrophobicContact CD2-CD1 4.36Å; L302-I306 HydrophobicContact CG-CD1 4.1Å; L302-I306 WeakPolarHBondContact O-CG1 3.49Å; L302-I306 PolarHBondContact O-N 3.06Å; Q304-I306 PolarHBondContact O-N 2.86Å; I306-S308 VanDerWaalsContact C-N 3.34Å; I306-Y309 PolarHBondContact O-N 2.67Å |
| 307 | S | 85.4 | Confident | 79.7 | Confident | 55 Ų | 55 | 108.9 Ų | 108.9 | 39% | 0.385 | 57% | 0.568 | S | S | . | * | H | α-helix | trans | -66.5 | -35.5 | 176.2 | 77.4 | 0 | 0 | 0 | 0 | 112.7 | P303 Q304 V305 Y309 K310 Q311 | P303-S307 PolarHBondContact O-N 3.18Å; Q304-S307 PolarHBondContact O-N 2.73Å; Q304-S307 VanDerWaalsContact O-N 3.17Å; Q304-S307 PolarHBondContact O-OG 3.24Å; V305-S307 VanDerWaalsContact C-N 3.27Å; V305-S307 PolarHBondContact O-N 2.6Å; S307-Y309 PolarHBondContact O-N 3.06Å; S307-K310 PolarHBondContact O-N 2.87Å; S307-Q311 PolarHBondContact O-N 2.98Å |
| 308 | S | 83.5 | Confident | 80.5 | Confident | 52 Ų | 52 | 105.9 Ų | 105.9 | 36% | 0.364 | 56% | 0.559 | S | S | . | * | H | α-helix | trans | -66.5 | -33.8 | 178.7 | -57.6 | 0 | 0 | 0 | 0 | 112.9 | Q304 V305 I306 K310 Q311 M312 | Q304-S308 PolarHBondContact O-N 3.02Å; Q304-S308 PolarHBondContact O-OG 3Å; Q304-S308 VanDerWaalsContact O-OG 3.11Å; V305-S308 WeakPolarHBondContact O-CB 3.37Å; V305-S308 PolarHBondContact O-N 2.52Å; V305-S308 VanDerWaalsContact O-N 3.13Å; I306-S308 VanDerWaalsContact C-N 3.34Å; S308-K310 VanDerWaalsContact C-N 3.26Å; S308-K310 PolarHBondContact O-N 3.39Å; S308-Q311 PolarHBondContact O-N 2.88Å; S308-Q311 VanDerWaalsContact O-N 3.13Å; S308-M312 WeakPolarHBondContact O-CB 3.1Å; S308-M312 WeakPolarHBondContact O-CG 3.24Å; S308-M312 PolarHBondContact O-N 2.68Å |
| 309 | Y | 84.5 | Confident | 80.9 | Confident | 80 Ų | 80 | 111.4 Ų | 111.4 | 31% | 0.314 | 58% | 0.584 | S | S | . | * | H | α-helix | trans | -57.2 | -40.2 | 173.8 | -84.3 | -86.9 | 0 | 0 | 0 | 112 | V305 I306 S307 N313 V314 H316 | V305-Y309 HydrophobicContact CG1-CD2 4.38Å; V305-Y309 HydrophobicContact CG1-CE2 3.95Å; V305-Y309 VanDerWaalsContact O-CD2 3.31Å; V305-Y309 WeakPolarHBondContact O-CD2 3.27Å; V305-Y309 PolarHBondContact O-N 3.41Å; I306-Y309 PolarHBondContact O-N 2.67Å; S307-Y309 PolarHBondContact O-N 3.06Å; Y309-N313 PolarHBondContact O-N 3.04Å; Y309-V314 HydrophobicContact CD1-CB 4.04Å; Y309-V314 HydrophobicContact CD1-CG1 3.9Å; Y309-V314 HydrophobicContact CE1-CG1 4.01Å; Y309-V314 PolarHBondContact O-N 3.33Å; Y309-V314 VanDerWaalsContact O-N 3.09Å; Y309-H316 HydrophobicContact CD1-CB 4.2Å; Y309-H316 AromaticContact CD2-CD2 3.65Å; Y309-H316 AromaticContact CE2-CD2 3.83Å; Y309-H316 HydrophobicContact CG-CB 4.14Å; Y309-H316 AromaticContact CG-CD2 3.93Å |
| 310 | K | 84.4 | Confident | 80.7 | Confident | 177 Ų | 177 | 114.2 Ų | 114.2 | 77% | 0.77 | 59% | 0.589 | S | S | * | * | H | α-helix | trans | -67.7 | -39.9 | 175.8 | -67.6 | -176.7 | 179 | 179.2 | 0 | 112.3 | S307 S308 N313 | S307-K310 PolarHBondContact O-N 2.87Å; S308-K310 VanDerWaalsContact C-N 3.26Å; S308-K310 PolarHBondContact O-N 3.39Å; K310-N313 PolarHBondContact O-N 3.28Å |
| 311 | Q | 86.9 | Confident | 80.1 | Confident | 157 Ų | 157 | 115.5 Ų | 115.5 | 73% | 0.734 | 60% | 0.596 | S | S | * | * | H | α-helix | trans | -67.4 | -39.6 | 178.9 | -69.3 | 179.7 | -8.2 | 0 | 0 | 112.2 | S307 S308 N313 | S307-Q311 PolarHBondContact O-N 2.98Å; S308-Q311 PolarHBondContact O-N 2.88Å; S308-Q311 VanDerWaalsContact O-N 3.13Å; Q311-N313 PolarHBondContact O-N 2.94Å |
| 312 | M | 84.6 | Confident | 79.6 | Confident | 140 Ų | 140 | 119.1 Ų | 119.1 | 69% | 0.69 | 61% | 0.61 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -81.8 | -0.8 | -179.2 | -64.4 | -67.2 | -73 | 0 | 0 | 113.2 | S308 V314 | S308-M312 WeakPolarHBondContact O-CB 3.1Å; S308-M312 WeakPolarHBondContact O-CG 3.24Å; S308-M312 PolarHBondContact O-N 2.68Å; M312-V314 HydrophobicContact CB-CG2 3.91Å; M312-V314 PolarHBondContact O-N 2.62Å; M312-V314 VanDerWaalsContact O-N 3.15Å |
| 313 | N | 82.5 | Confident | 78.7 | Confident | 155 Ų | 155 | 119.6 Ų | 119.6 | 83% | 0.829 | 62% | 0.617 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 52.2 | 32.4 | -174.8 | -152.3 | 23.2 | 0 | 0 | 0 | 113.1 | Y309 K310 Q311 | Y309-N313 PolarHBondContact O-N 3.04Å; K310-N313 PolarHBondContact O-N 3.28Å; Q311-N313 PolarHBondContact O-N 2.94Å |
| 314 | V | 80.9 | Confident | 77.6 | Confident | 78 Ų | 78 | 119.6 Ų | 119.6 | 47% | 0.473 | 62% | 0.617 | S | S | . | * | trans | -96.9 | 131.5 | 176.8 | 178.9 | 0 | 0 | 0 | 0 | 107.7 | Y309 M312 H316 | Y309-V314 HydrophobicContact CD1-CB 4.04Å; Y309-V314 HydrophobicContact CD1-CG1 3.9Å; Y309-V314 HydrophobicContact CE1-CG1 4.01Å; Y309-V314 PolarHBondContact O-N 3.33Å; Y309-V314 VanDerWaalsContact O-N 3.09Å; M312-V314 HydrophobicContact CB-CG2 3.91Å; M312-V314 PolarHBondContact O-N 2.62Å; M312-V314 VanDerWaalsContact O-N 3.15Å; V314-H316 PolarHBondContact O-N 2.72Å | ||
| 315 | K | 78.7 | Confident | 76.5 | Confident | 154 Ų | 154 | 122.9 Ų | 122.9 | 67% | 0.67 | 63% | 0.632 | S | S | * | * | trans | -63.4 | 128.2 | 176.6 | -71.9 | 178.8 | 177.6 | 178.9 | 0 | 109.8 | E317 | K315-E317 VanDerWaalsContact C-N 3.26Å; K315-E317 HydrophobicContact CB-CG 3.9Å; K315-E317 WeakPolarHBondContact CB-OE1 3.34Å; K315-E317 WeakPolarHBondContact CD-OE1 3.46Å; K315-E317 PolarHBondContact O-N 2.76Å | ||
| 316 | H | 78.8 | Confident | 75.5 | Confident | 126 Ų | 126 | 127 Ų | 127 | 58% | 0.583 | 65% | 0.645 | S | S | * | * | trans | -81.6 | 78 | 174.2 | -178.6 | -94.1 | 0 | 0 | 0 | 109.2 | Y309 V314 | Y309-H316 HydrophobicContact CD1-CB 4.2Å; Y309-H316 AromaticContact CD2-CD2 3.65Å; Y309-H316 AromaticContact CE2-CD2 3.83Å; Y309-H316 HydrophobicContact CG-CB 4.14Å; Y309-H316 AromaticContact CG-CD2 3.93Å; V314-H316 PolarHBondContact O-N 2.72Å | ||
| 317 | E | 78.6 | Confident | 74.4 | Confident | 111 Ų | 111 | 133.1 Ų | 133.1 | 52% | 0.519 | 67% | 0.672 | S | S | . | * | S | Bend | trans | -127.6 | 148.4 | 177.6 | 52.9 | -166.2 | 157.1 | 0 | 0 | 109.6 | K315 L319 | K315-E317 VanDerWaalsContact C-N 3.26Å; K315-E317 HydrophobicContact CB-CG 3.9Å; K315-E317 WeakPolarHBondContact CB-OE1 3.34Å; K315-E317 WeakPolarHBondContact CD-OE1 3.46Å; K315-E317 PolarHBondContact O-N 2.76Å; E317-L319 PolarHBondContact O-N 3.41Å |
| 318 | P | 75.6 | Confident | 73.2 | Confident | 108 Ų | 108 | 135.4 Ų | 135.4 | 70% | 0.701 | 68% | 0.683 | S | S | * | * | trans | -55.7 | 126.6 | 176.6 | 22.7 | -31.9 | 0 | 0 | 0 | 108.6 | Q320 | P318-Q320 PolarHBondContact O-N 3.18Š| ||
| 319 | L | 69.8 | Low | 72.1 | Confident | 171 Ų | 171 | 139 Ų | 139 | 90% | 0.895 | 71% | 0.706 | S | S | * | * | trans | -54.1 | 106.5 | -179 | -75.3 | 166.7 | 0 | 0 | 0 | 109 | E317 | E317-L319 PolarHBondContact O-N 3.41Š| ||
| 320 | Q | 69.5 | Low | 70.9 | Confident | 163 Ų | 163 | 141.9 Ų | 141.9 | 76% | 0.762 | 73% | 0.726 | S | S | * | * | trans | -83.1 | 137.7 | 169.4 | -65.8 | -174.2 | -7.2 | 0 | 0 | 107.4 | P318 I322 | P318-Q320 PolarHBondContact O-N 3.18Å; Q320-I322 PolarHBondContact O-N 3.07Å | ||
| 321 | L | 66.6 | Low | 70 | Confident | 161 Ų | 161 | 139 Ų | 139 | 84% | 0.843 | 73% | 0.725 | S | S | * | * | trans | -60 | 108.4 | 170.9 | -126.2 | 103 | 0 | 0 | 0 | 107 | T323 | L321-T323 VanDerWaalsContact C-N 3.32Å; L321-T323 PolarHBondContact O-N 2.8Å | ||
| 322 | I | 66.6 | Low | 69 | Low | 160 Ų | 160 | 140.3 Ų | 140.3 | 82% | 0.821 | 73% | 0.731 | S | S | * | * | trans | -68.9 | 100.8 | 167.2 | -60.5 | 170.6 | 0 | 0 | 0 | 104.6 | Q320 P324 | Q320-I322 PolarHBondContact O-N 3.07Å; I322-P324 WeakPolarHBondContact O-CD 3.36Å | ||
| 323 | T | 63 | Low | 67.9 | Low | 104 Ų | 104 | 141.9 Ų | 141.9 | 64% | 0.638 | 74% | 0.742 | S | S | * | * | trans | -69.6 | 114 | 172.1 | 42.5 | 0 | 0 | 0 | 0 | 107.4 | L321 Q325 | L321-T323 VanDerWaalsContact C-N 3.32Å; L321-T323 PolarHBondContact O-N 2.8Å; T323-Q325 PolarHBondContact O-N 3.38Å | ||
| 324 | P | 61.8 | Low | 67.3 | Low | 87 Ų | 87 | 143.1 Ų | 143.1 | 57% | 0.565 | 74% | 0.742 | S | S | * | * | trans | -60.6 | 123.6 | 175.1 | 25.8 | -34 | 0 | 0 | 0 | 108.6 | I322 F326 | I322-P324 WeakPolarHBondContact O-CD 3.36Å; P324-F326 HydrophobicContact CB-CD2 3.92Å; P324-F326 HydrophobicContact CB-CE2 3.46Å; P324-F326 VanDerWaalsContact CB-CE2 3.46Å; P324-F326 HydrophobicContact CB-CZ 3.99Å; P324-F326 HydrophobicContact CG-CD2 3.91Å; P324-F326 HydrophobicContact CG-CE2 3.34Å; P324-F326 HydrophobicContact CG-CZ 4.19Å; P324-F326 PolarHBondContact O-N 2.7Å; P324-F326 VanDerWaalsContact O-N 3.12Å | ||
| 325 | Q | 59.1 | Low | 66.3 | Low | 198 Ų | 198 | 144.9 Ų | 144.9 | 93% | 0.925 | 76% | 0.755 | S | S | * | * | trans | -77.6 | 96.1 | 172.6 | -72.8 | -174.9 | -10.6 | 0 | 0 | 108.1 | T323 | T323-Q325 PolarHBondContact O-N 3.38Š| ||
| 326 | F | 61.2 | Low | 65.5 | Low | 160 Ų | 160 | 141.8 Ų | 141.8 | 70% | 0.702 | 76% | 0.758 | S | S | * | * | trans | -88.7 | 128 | 168.3 | -68.6 | -75.5 | 0 | 0 | 0 | 108.8 | P324 T328 | P324-F326 HydrophobicContact CB-CD2 3.92Å; P324-F326 HydrophobicContact CB-CE2 3.46Å; P324-F326 VanDerWaalsContact CB-CE2 3.46Å; P324-F326 HydrophobicContact CB-CZ 3.99Å; P324-F326 HydrophobicContact CG-CD2 3.91Å; P324-F326 HydrophobicContact CG-CE2 3.34Å; P324-F326 HydrophobicContact CG-CZ 4.19Å; P324-F326 PolarHBondContact O-N 2.7Å; P324-F326 VanDerWaalsContact O-N 3.12Å; F326-T328 HydrophobicContact CB-CG2 4.43Å; F326-T328 PolarHBondContact O-N 3.04Å | ||
| 327 | E | 61.2 | Low | 65.2 | Low | 199 Ų | 199 | 142.1 Ų | 142.1 | 93% | 0.93 | 77% | 0.769 | S | S | * | * | trans | -66.4 | 104.6 | 166.6 | -70.2 | -175 | 168.4 | 0 | 0 | 108.2 | P329 | E327-P329 VanDerWaalsContact O-CD 3.23Å; E327-P329 WeakPolarHBondContact O-CD 3.37Å | ||
| 328 | T | 59.2 | Low | 64.7 | Low | 102 Ų | 102 | 145 Ų | 145 | 63% | 0.626 | 78% | 0.78 | S | S | * | * | trans | -100.4 | 99.2 | 177.3 | 50.8 | 0 | 0 | 0 | 0 | 109.3 | F326 L330 | F326-T328 HydrophobicContact CB-CG2 4.43Å; F326-T328 PolarHBondContact O-N 3.04Å; T328-L330 PolarHBondContact O-N 3.16Å | ||
| 329 | P | 61.1 | Low | 64.2 | Low | 129 Ų | 129 | 145 Ų | 145 | 84% | 0.838 | 78% | 0.781 | S | S | * | * | trans | -72.2 | -8.9 | -177.2 | 28.9 | -35.5 | 0 | 0 | 0 | 113.6 | E327 | E327-P329 VanDerWaalsContact O-CD 3.23Å; E327-P329 WeakPolarHBondContact O-CD 3.37Å | ||
| 330 | L | 58.8 | Low | 63.9 | Low | 140 Ų | 140 | 141.4 Ų | 141.4 | 73% | 0.733 | 77% | 0.767 | S | S | * | * | S | Bend | trans | -104.4 | 144.5 | 179.8 | -67.7 | 164.9 | 0 | 0 | 0 | 110.2 | T328 | T328-L330 PolarHBondContact O-N 3.16Š|
| 331 | P | 66.6 | Low | 63.6 | Low | 115 Ų | 115 | 138.5 Ų | 138.5 | 75% | 0.747 | 77% | 0.771 | S | S | * | * | P | Polyproline II helix | trans | -60 | 151.7 | 175.7 | 25.3 | -32.7 | 0 | 0 | 0 | 111.1 | L333 | P331-L333 PolarHBondContact O-N 3Š|
| 332 | Q | 64.8 | Low | 63.6 | Low | 185 Ų | 185 | 138.8 Ų | 138.8 | 86% | 0.864 | 77% | 0.766 | S | S | * | * | P | Polyproline II helix | trans | -61.6 | 128.4 | -178.4 | -69.6 | -177.9 | -12.4 | 0 | 0 | 110.6 | E334 | Q332-E334 PolarHBondContact O-N 3.28Š|
| 333 | L | 62 | Low | 63.5 | Low | 174 Ų | 174 | 142.9 Ų | 142.9 | 91% | 0.911 | 77% | 0.771 | S | S | * | * | P | Polyproline II helix | trans | -65.8 | 118.4 | 175 | -84 | 146.5 | 0 | 0 | 0 | 109.7 | P331 | P331-L333 PolarHBondContact O-N 3Š|
| 334 | E | 69.1 | Low | 63.5 | Low | 181 Ų | 181 | 145 Ų | 145 | 85% | 0.846 | 78% | 0.778 | S | S | * | * | P | Polyproline II helix | trans | -77 | 126.6 | 171.2 | -68.7 | -175.1 | 165.1 | 0 | 0 | 109.7 | Q332 A336 | Q332-E334 PolarHBondContact O-N 3.28Å; E334-A336 PolarHBondContact O-N 3.36Å |
| 335 | P | 60.6 | Low | 63.4 | Low | 115 Ų | 115 | 148.3 Ų | 148.3 | 75% | 0.747 | 79% | 0.79 | S | S | * | * | P | Polyproline II helix | trans | -66.4 | 131.7 | 177 | 26 | -31.3 | 0 | 0 | 0 | 109.8 | V337 | P335-V337 PolarHBondContact O-N 3.39Š|
| 336 | A | 62.8 | Low | 63.9 | Low | 88 Ų | 88 | 144 Ų | 144 | 73% | 0.727 | 78% | 0.779 | S | S | * | * | trans | -61.8 | 106.8 | 173.5 | 0 | 0 | 0 | 0 | 0 | 109.2 | E334 F338 | E334-A336 PolarHBondContact O-N 3.36Å; A336-F338 PolarHBondContact O-N 3.11Å; A336-F338 VanDerWaalsContact O-N 3.11Å | ||
| 337 | V | 71.6 | Confident | 64.3 | Low | 134 Ų | 134 | 141.4 Ų | 141.4 | 81% | 0.812 | 78% | 0.778 | S | S | * | * | S | Bend | trans | -67.4 | -7.3 | 178 | -136.4 | 0 | 0 | 0 | 0 | 112.4 | P335 | P335-V337 PolarHBondContact O-N 3.39Š|
| 338 | F | 68.8 | Low | 64.4 | Low | 170 Ų | 170 | 136.7 Ų | 136.7 | 75% | 0.746 | 77% | 0.765 | S | S | * | * | S | Bend | trans | -116.5 | 131.4 | 174.3 | -59.6 | -78 | 0 | 0 | 0 | 108.6 | A336 | A336-F338 PolarHBondContact O-N 3.11Å; A336-F338 VanDerWaalsContact O-N 3.11Å |
| 339 | P | 64.9 | Low | 64.9 | Low | 110 Ų | 110 | 138 Ų | 138 | 71% | 0.714 | 77% | 0.766 | S | S | * | * | trans | -56 | 142.3 | 169.1 | 23.9 | -31.3 | 0 | 0 | 0 | 108.8 | A341 | P339-A341 PolarHBondContact O-N 3.48Š| ||
| 340 | P | 62.7 | Low | 64.8 | Low | 95 Ų | 95 | 136.7 Ų | 136.7 | 62% | 0.617 | 75% | 0.751 | S | S | * | * | trans | -55.6 | 113.6 | 173.8 | 21.4 | -30.3 | 0 | 0 | 0 | 108.2 | F342 | P340-F342 HydrophobicContact CB-CE2 4.16Å; P340-F342 HydrophobicContact CB-CZ 4.46Å; P340-F342 HydrophobicContact CG-CE2 3.84Å; P340-F342 HydrophobicContact CG-CZ 4.33Å; P340-F342 WeakPolarHBondContact O-CD2 3.47Å; P340-F342 PolarHBondContact O-N 3.25Å | ||
| 341 | A | 62.6 | Low | 65 | Low | 101 Ų | 101 | 138.1 Ų | 138.1 | 84% | 0.835 | 76% | 0.76 | S | S | * | * | trans | -71.2 | 87.5 | 174.8 | 0 | 0 | 0 | 0 | 0 | 107.7 | P339 R343 | P339-A341 PolarHBondContact O-N 3.48Å; A341-R343 PolarHBondContact O-N 3.04Å | ||
| 342 | F | 68.4 | Low | 64.9 | Low | 168 Ų | 168 | 138.7 Ų | 138.7 | 74% | 0.737 | 76% | 0.756 | S | S | * | * | trans | -59.2 | 126.3 | 162.2 | -65.8 | -78.4 | 0 | 0 | 0 | 106.5 | P340 D344 | P340-F342 HydrophobicContact CB-CE2 4.16Å; P340-F342 HydrophobicContact CB-CZ 4.46Å; P340-F342 HydrophobicContact CG-CE2 3.84Å; P340-F342 HydrophobicContact CG-CZ 4.33Å; P340-F342 WeakPolarHBondContact O-CD2 3.47Å; P340-F342 PolarHBondContact O-N 3.25Å; F342-D344 VanDerWaalsContact C-N 3.3Å; F342-D344 PolarHBondContact O-N 3.3Å | ||
| 343 | R | 64 | Low | 64.6 | Low | 246 Ų | 246 | 136 Ų | 136 | 93% | 0.928 | 74% | 0.742 | S | S | * | * | trans | -63 | 101.5 | 167.5 | -87.2 | -178.8 | 169.9 | 174.6 | -3.2 | 106.1 | A341 L345 | A341-R343 PolarHBondContact O-N 3.04Å; R343-L345 PolarHBondContact O-N 3.48Å | ||
| 344 | D | 62.7 | Low | 64.9 | Low | 147 Ų | 147 | 132.4 Ų | 132.4 | 79% | 0.786 | 72% | 0.723 | S | S | * | * | P | Polyproline II helix | trans | -52.2 | 128.4 | 163.7 | -72.1 | -34.7 | 0 | 0 | 0 | 107 | F342 | F342-D344 VanDerWaalsContact C-N 3.3Å; F342-D344 PolarHBondContact O-N 3.3Å |
| 345 | L | 60.3 | Low | 64.8 | Low | 158 Ų | 158 | 127.7 Ų | 127.7 | 83% | 0.827 | 70% | 0.703 | S | S | * | * | P | Polyproline II helix | trans | -54.3 | 133 | 172.8 | -75.1 | 158.9 | 0 | 0 | 0 | 106.7 | R343 | R343-L345 PolarHBondContact O-N 3.48Š|
| 346 | P | 69.4 | Low | 65.2 | Low | 106 Ų | 106 | 128.6 Ų | 128.6 | 69% | 0.688 | 70% | 0.702 | S | S | * | * | P | Polyproline II helix | trans | -52.5 | 136.3 | 175 | 22 | -31.1 | 0 | 0 | 0 | 107.8 | ||
| 347 | P | 68.9 | Low | 65.4 | Low | 106 Ų | 106 | 128.9 Ų | 128.9 | 69% | 0.688 | 69% | 0.688 | S | S | * | * | P | Polyproline II helix | trans | -52.1 | 139.1 | 178.5 | 21.9 | -32.1 | 0 | 0 | 0 | 108.3 | M349 | P347-M349 PolarHBondContact O-N 3.22Š|
| 348 | P | 63.9 | Low | 65.2 | Low | 101 Ų | 101 | 126 Ų | 126 | 66% | 0.656 | 67% | 0.671 | S | S | * | * | P | Polyproline II helix | trans | -52.3 | 130.8 | 177.4 | 21.9 | -31.6 | 0 | 0 | 0 | 107.8 | L350 | P348-L350 HydrophobicContact CG-CD1 4.12Å; P348-L350 PolarHBondContact O-N 3.25Å |
| 349 | M | 69.1 | Low | 65.2 | Low | 129 Ų | 129 | 126.1 Ų | 126.1 | 64% | 0.635 | 67% | 0.672 | S | S | * | * | trans | -71.7 | 69.9 | -177.1 | -61.6 | -161.5 | -65.8 | 0 | 0 | 109.8 | P347 D351 L352 F353 | P347-M349 PolarHBondContact O-N 3.22Å; M349-D351 PolarHBondContact O-N 2.93Å; M349-L352 HydrophobicContact CB-CB 4.39Å; M349-L352 HydrophobicContact CB-CD1 3.86Å; M349-L352 HydrophobicContact CB-CG 4.25Å; M349-L352 HydrophobicContact CE-CD1 3.24Å; M349-L352 HydrophobicContact CG-CD1 4.4Å; M349-L352 PolarHBondContact O-N 3.13Å; M349-L352 HydrophobicContact SD-CD1 3.7Å; M349-F353 WeakPolarHBondContact O-CD2 3.09Å | ||
| 350 | L | 58.2 | Low | 65.8 | Low | 101 Ų | 101 | 122 Ų | 122 | 53% | 0.529 | 65% | 0.646 | S | S | . | * | G | 310 helix | trans | -59.2 | -29.2 | 178.3 | -87.1 | 145.3 | 0 | 0 | 0 | 111.4 | P348 L352 F353 L355 | P348-L350 HydrophobicContact CG-CD1 4.12Å; P348-L350 PolarHBondContact O-N 3.25Å; L350-L352 PolarHBondContact O-N 3.46Å; L350-L352 VanDerWaalsContact O-N 3.16Å; L350-F353 PolarHBondContact O-N 3.46Å; L350-L355 HydrophobicContact CD2-CD2 4.06Å |
| 351 | D | 64 | Low | 66.5 | Low | 171 Ų | 171 | 120.9 Ų | 120.9 | 91% | 0.914 | 64% | 0.64 | S | S | * | * | G | 310 helix | trans | -65.4 | -13.6 | 174.9 | -68.8 | -12.9 | 0 | 0 | 0 | 113.8 | M349 | M349-D351 PolarHBondContact O-N 2.93Š|
| 352 | L | 63.3 | Low | 67.2 | Low | 126 Ų | 126 | 121.6 Ų | 121.6 | 66% | 0.66 | 63% | 0.626 | S | S | * | * | G | 310 helix | trans | -100.3 | -5.2 | 175.4 | -67.3 | 173.5 | 0 | 0 | 0 | 113.3 | M349 L350 | M349-L352 HydrophobicContact CB-CB 4.39Å; M349-L352 HydrophobicContact CB-CD1 3.86Å; M349-L352 HydrophobicContact CB-CG 4.25Å; M349-L352 HydrophobicContact CE-CD1 3.24Å; M349-L352 HydrophobicContact CG-CD1 4.4Å; M349-L352 PolarHBondContact O-N 3.13Å; M349-L352 HydrophobicContact SD-CD1 3.7Å; L350-L352 PolarHBondContact O-N 3.46Å; L350-L352 VanDerWaalsContact O-N 3.16Å |
| 353 | F | 58.9 | Low | 67.8 | Low | 130 Ų | 130 | 122 Ų | 122 | 57% | 0.57 | 63% | 0.627 | S | S | * | * | S | Bend | trans | -100.7 | 117.7 | 174.7 | -75.4 | -85.3 | 0 | 0 | 0 | 109.3 | M349 L350 L355 | M349-F353 WeakPolarHBondContact O-CD2 3.09Å; L350-F353 PolarHBondContact O-N 3.46Å; F353-L355 VanDerWaalsContact C-N 3.34Å; F353-L355 PolarHBondContact O-N 3.25Å |
| 354 | D | 69.1 | Low | 68.5 | Low | 97 Ų | 97 | 113.4 Ų | 113.4 | 52% | 0.519 | 60% | 0.602 | S | S | . | * | trans | -69.1 | 97 | 168.1 | -168.9 | -21.7 | 0 | 0 | 0 | 108.3 | D356 E357 T358 | D354-D356 PolarHBondContact O-N 3.45Å; D354-D356 WeakPolarHBondContact OD1-CB 3.42Å; D354-D356 PolarHBondContact OD1-N 3.34Å; D354-D356 VanDerWaalsContact OD1-N 3.13Å; D354-E357 HydrophobicContact CB-CB 3.98Å; D354-E357 PolarHBondContact O-N 3.08Å; D354-E357 PolarHBondContact OD1-N 3.46Å; D354-T358 PolarHBondContact O-N 3.02Å | ||
| 355 | L | 67.6 | Low | 69.2 | Low | 83 Ų | 83 | 109.9 Ų | 109.9 | 44% | 0.435 | 58% | 0.578 | S | S | . | * | H | α-helix | trans | -60.2 | -33.8 | -177.8 | -62.8 | 177.5 | 0 | 0 | 0 | 110.7 | L350 F353 E357 T358 F359 | L350-L355 HydrophobicContact CD2-CD2 4.06Å; F353-L355 VanDerWaalsContact C-N 3.34Å; F353-L355 PolarHBondContact O-N 3.25Å; L355-E357 VanDerWaalsContact C-N 3.32Å; L355-E357 PolarHBondContact O-N 3.18Å; L355-T358 WeakPolarHBondContact CA-OG1 3.5Å; L355-T358 PolarHBondContact O-N 3.02Å; L355-T358 PolarHBondContact O-OG1 2.85Å; L355-T358 VanDerWaalsContact O-OG1 3.07Å; L355-F359 HydrophobicContact CB-CD2 4.18Å; L355-F359 HydrophobicContact CB-CE2 4.41Å; L355-F359 HydrophobicContact CD2-CE2 4.09Å; L355-F359 WeakPolarHBondContact O-CB 3.49Å; L355-F359 VanDerWaalsContact O-CD2 3.22Å; L355-F359 WeakPolarHBondContact O-CD2 3.34Å; L355-F359 PolarHBondContact O-N 3.42Å |
| 356 | D | 67.7 | Low | 70.2 | Confident | 133 Ų | 133 | 104.3 Ų | 104.3 | 71% | 0.711 | 55% | 0.548 | S | S | * | . | H | α-helix | trans | -67.2 | -34.8 | 176.8 | -71.3 | -24.5 | 0 | 0 | 0 | 111.1 | D354 S360 | D354-D356 PolarHBondContact O-N 3.45Å; D354-D356 WeakPolarHBondContact OD1-CB 3.42Å; D354-D356 PolarHBondContact OD1-N 3.34Å; D354-D356 VanDerWaalsContact OD1-N 3.13Å; D356-S360 WeakPolarHBondContact O-CB 3.39Å; D356-S360 PolarHBondContact O-N 3.34Å; D356-S360 VanDerWaalsContact O-N 3.07Å; D356-S360 PolarHBondContact O-OG 3.02Å |
| 357 | E | 67.4 | Low | 70.7 | Confident | 94 Ų | 94 | 101.5 Ų | 101.5 | 44% | 0.439 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -69.7 | -39.9 | 173.5 | -159.7 | -168.7 | 152.2 | 0 | 0 | 112.3 | D354 L355 S360 R365 | D354-E357 HydrophobicContact CB-CB 3.98Å; D354-E357 PolarHBondContact O-N 3.08Å; D354-E357 PolarHBondContact OD1-N 3.46Å; L355-E357 VanDerWaalsContact C-N 3.32Å; L355-E357 PolarHBondContact O-N 3.18Å; E357-S360 PolarHBondContact O-OG 2.92Å; E357-R365 PolarHBondContact O-NE 3.1Å; E357-R365 IonicContact OE1-NH2 3.04Å; E357-R365 PolarHBondContact OE1-NH2 3.42Å |
| 358 | T | 67.1 | Low | 71.2 | Confident | 75 Ų | 75 | 100.6 Ų | 100.6 | 46% | 0.46 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -76 | -31.7 | -177.3 | 60.2 | 0 | 0 | 0 | 0 | 113.9 | D354 L355 | D354-T358 PolarHBondContact O-N 3.02Å; L355-T358 WeakPolarHBondContact CA-OG1 3.5Å; L355-T358 PolarHBondContact O-N 3.02Å; L355-T358 PolarHBondContact O-OG1 2.85Å; L355-T358 VanDerWaalsContact O-OG1 3.07Å |
| 359 | F | 69 | Low | 72 | Confident | 172 Ų | 172 | 97 Ų | 97 | 75% | 0.754 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -96.7 | -6.3 | 179 | -70 | -68.7 | 0 | 0 | 0 | 113.9 | L355 | L355-F359 HydrophobicContact CB-CD2 4.18Å; L355-F359 HydrophobicContact CB-CE2 4.41Å; L355-F359 HydrophobicContact CD2-CE2 4.09Å; L355-F359 WeakPolarHBondContact O-CB 3.49Å; L355-F359 VanDerWaalsContact O-CD2 3.22Å; L355-F359 WeakPolarHBondContact O-CD2 3.34Å; L355-F359 PolarHBondContact O-N 3.42Å |
| 360 | S | 76.7 | Confident | 72.5 | Confident | 24 Ų | 24 | 93.2 Ų | 93.2 | 17% | 0.168 | 48% | 0.482 | C | S | . | . | S | Bend | trans | -70.2 | 134.7 | 177.2 | 49.9 | 0 | 0 | 0 | 0 | 111.9 | D356 E357 R365 | D356-S360 WeakPolarHBondContact O-CB 3.39Å; D356-S360 PolarHBondContact O-N 3.34Å; D356-S360 VanDerWaalsContact O-N 3.07Å; D356-S360 PolarHBondContact O-OG 3.02Å; E357-S360 PolarHBondContact O-OG 2.92Å; S360-R365 WeakPolarHBondContact O-CD 3.46Å; S360-R365 WeakPolarHBondContact OG-CD 3.42Å; S360-R365 WeakPolarHBondContact OG-CG 3.04Å |
| 361 | S | 77.9 | Confident | 73.6 | Confident | 70 Ų | 70 | 95.2 Ų | 95.2 | 49% | 0.49 | 49% | 0.494 | S | S | . | . | trans | -59.9 | 150.7 | 174.9 | 68 | 0 | 0 | 0 | 0 | 111.7 | K363 V364 R365 | S361-K363 PolarHBondContact O-N 2.81Å; S361-V364 PolarHBondContact O-N 3.21Å; S361-V364 WeakPolarHBondContact OG-CG2 3.49Å; S361-R365 PolarHBondContact O-N 2.86Å; S361-R365 VanDerWaalsContact O-N 3.16Å | ||
| 362 | E | 78.5 | Confident | 74.2 | Confident | 116 Ų | 116 | 95 Ų | 95 | 54% | 0.542 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -49.1 | -38.5 | -178.8 | -63.4 | 170.8 | -177.1 | 0 | 0 | 112.8 | V364 R365 L366 I388 | E362-V364 PolarHBondContact O-N 3.43Å; E362-R365 PolarHBondContact O-N 3.15Å; E362-L366 VanDerWaalsContact O-CG 3.31Å; E362-L366 WeakPolarHBondContact O-CG 3.41Å; E362-L366 PolarHBondContact O-N 3.39Å; E362-I388 HydrophobicContact CB-CG2 4.25Å |
| 363 | K | 79.3 | Confident | 74.9 | Confident | 176 Ų | 176 | 90.3 Ų | 90.3 | 77% | 0.765 | 46% | 0.462 | S | S | * | . | H | α-helix | trans | -65.1 | -39.5 | 178.7 | -66 | -176.8 | 178.8 | -179.9 | 0 | 113.2 | S361 A367 | S361-K363 PolarHBondContact O-N 2.81Å; K363-A367 PolarHBondContact O-N 3.19Å; K363-A367 VanDerWaalsContact O-N 3.15Å |
| 364 | V | 80.2 | Confident | 75.6 | Confident | 67 Ų | 67 | 88.6 Ų | 88.6 | 41% | 0.406 | 46% | 0.462 | S | S | . | . | H | α-helix | trans | -72.5 | -38.7 | -179.9 | 175.5 | 0 | 0 | 0 | 0 | 110.2 | S361 E362 A367 Q368 | S361-V364 PolarHBondContact O-N 3.21Å; S361-V364 WeakPolarHBondContact OG-CG2 3.49Å; E362-V364 PolarHBondContact O-N 3.43Å; V364-A367 PolarHBondContact O-N 2.98Å; V364-Q368 WeakPolarHBondContact O-CG 3.43Å; V364-Q368 PolarHBondContact O-N 2.93Å |
| 365 | R | 77.4 | Confident | 75.7 | Confident | 73 Ų | 73 | 90.8 Ų | 90.8 | 28% | 0.275 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -64 | -41.7 | 176.3 | -64.3 | -177.1 | 76.3 | -176.1 | 6.9 | 112 | E357 S360 S361 E362 Q368 L369 I388 | E357-R365 PolarHBondContact O-NE 3.1Å; E357-R365 IonicContact OE1-NH2 3.04Å; E357-R365 PolarHBondContact OE1-NH2 3.42Å; S360-R365 WeakPolarHBondContact O-CD 3.46Å; S360-R365 WeakPolarHBondContact OG-CD 3.42Å; S360-R365 WeakPolarHBondContact OG-CG 3.04Å; S361-R365 PolarHBondContact O-N 2.86Å; S361-R365 VanDerWaalsContact O-N 3.16Å; E362-R365 PolarHBondContact O-N 3.15Å; R365-Q368 PolarHBondContact O-N 2.89Å; R365-L369 WeakPolarHBondContact O-CB 3.37Å; R365-L369 PolarHBondContact O-N 2.97Å; R365-I388 HydrophobicContact CB-CD1 4.04Å; R365-I388 HydrophobicContact CB-CG1 4.49Å; R365-I388 HydrophobicContact CB-CG2 4.08Å |
| 366 | L | 80.4 | Confident | 75.9 | Confident | 40 Ų | 40 | 94.3 Ų | 94.3 | 21% | 0.209 | 49% | 0.493 | C | S | . | . | H | α-helix | trans | -63 | -42.9 | 174.3 | -70.8 | 172.1 | 0 | 0 | 0 | 112.2 | E362 Q368 L369 S370 C385 I388 L389 | E362-L366 VanDerWaalsContact O-CG 3.31Å; E362-L366 WeakPolarHBondContact O-CG 3.41Å; E362-L366 PolarHBondContact O-N 3.39Å; L366-Q368 PolarHBondContact O-N 2.7Å; L366-L369 PolarHBondContact O-N 3.41Å; L366-S370 PolarHBondContact O-N 2.93Å; L366-S370 PolarHBondContact O-OG 2.93Å; L366-C385 HydrophobicContact CD2-CB 3.84Å; L366-C385 WeakPolarHBondContact CD2-SG 3.47Å; L366-I388 HydrophobicContact CD2-CB 4.38Å; L366-I388 HydrophobicContact CD2-CD1 4.18Å; L366-I388 HydrophobicContact CD2-CG2 4.32Å; L366-I388 HydrophobicContact CG-CG2 4.18Å; L366-L389 HydrophobicContact CD1-CD2 4.21Å; L366-L389 HydrophobicContact CD1-CG 4.43Å |
| 367 | A | 80.4 | Confident | 76.4 | Confident | 48 Ų | 48 | 91.7 Ų | 91.7 | 40% | 0.397 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -66.7 | -34.8 | 178.2 | 0 | 0 | 0 | 0 | 0 | 113.1 | K363 V364 S370 N371 | K363-A367 PolarHBondContact O-N 3.19Å; K363-A367 VanDerWaalsContact O-N 3.15Å; V364-A367 PolarHBondContact O-N 2.98Å; A367-S370 WeakPolarHBondContact CA-OG 3.34Å; A367-S370 PolarHBondContact O-OG 2.96Å; A367-N371 VanDerWaalsContact O-CG 3.3Å; A367-N371 PolarHBondContact O-N 3.25Å; A367-N371 PolarHBondContact O-ND2 3.11Å; A367-N371 VanDerWaalsContact O-ND2 3.15Å |
| 368 | Q | 79.1 | Confident | 76.9 | Confident | 87 Ų | 87 | 92.3 Ų | 92.3 | 41% | 0.407 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -69.8 | -38.9 | 173.2 | -72.3 | 178.4 | -0.4 | 0 | 0 | 111.8 | V364 R365 L366 N371 K372 | V364-Q368 WeakPolarHBondContact O-CG 3.43Å; V364-Q368 PolarHBondContact O-N 2.93Å; R365-Q368 PolarHBondContact O-N 2.89Å; L366-Q368 PolarHBondContact O-N 2.7Å; Q368-N371 PolarHBondContact O-N 2.89Å; Q368-K372 WeakPolarHBondContact O-CG 3.21Å; Q368-K372 PolarHBondContact O-N 3.46Å |
| 369 | L | 80.9 | Confident | 77.4 | Confident | 24 Ų | 24 | 95 Ų | 95 | 13% | 0.126 | 49% | 0.492 | C | S | . | . | H | α-helix | trans | -65.6 | -40.6 | 177.1 | -171.1 | 71.4 | 0 | 0 | 0 | 111.3 | R365 L366 N371 K372 C373 Y381 K384 I388 | R365-L369 WeakPolarHBondContact O-CB 3.37Å; R365-L369 PolarHBondContact O-N 2.97Å; L366-L369 PolarHBondContact O-N 3.41Å; L369-N371 PolarHBondContact O-N 3Å; L369-K372 PolarHBondContact O-N 2.93Å; L369-K372 VanDerWaalsContact O-N 3.1Å; L369-C373 PolarHBondContact O-N 3.07Å; L369-Y381 HydrophobicContact CB-CE2 4.34Å; L369-Y381 HydrophobicContact CD2-CD2 3.9Å; L369-Y381 HydrophobicContact CD2-CE2 4Å; L369-Y381 HydrophobicContact CG-CD2 3.83Å; L369-Y381 HydrophobicContact CG-CE2 3.93Å; L369-K384 HydrophobicContact CD1-CB 4.18Å; L369-K384 HydrophobicContact CD2-CB 3.59Å; L369-I388 HydrophobicContact CD2-CD1 4.13Å |
| 370 | S | 79.3 | Confident | 77.9 | Confident | 51 Ų | 51 | 92 Ų | 92 | 36% | 0.357 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -64.6 | -29 | 177.7 | 63.8 | 0 | 0 | 0 | 0 | 113.2 | L366 A367 | L366-S370 PolarHBondContact O-N 2.93Å; L366-S370 PolarHBondContact O-OG 2.93Å; A367-S370 WeakPolarHBondContact CA-OG 3.34Å; A367-S370 PolarHBondContact O-OG 2.96Å |
| 371 | N | 80.9 | Confident | 78.1 | Confident | 143 Ų | 143 | 94.3 Ų | 94.3 | 77% | 0.765 | 49% | 0.485 | S | S | * | . | H | α-helix | trans | -81.2 | -17.2 | 176.4 | -68.2 | -23.7 | 0 | 0 | 0 | 113.2 | A367 Q368 L369 | A367-N371 VanDerWaalsContact O-CG 3.3Å; A367-N371 PolarHBondContact O-N 3.25Å; A367-N371 PolarHBondContact O-ND2 3.11Å; A367-N371 VanDerWaalsContact O-ND2 3.15Å; Q368-N371 PolarHBondContact O-N 2.89Å; L369-N371 PolarHBondContact O-N 3Å |
| 372 | K | 77.8 | Confident | 78.3 | Confident | 166 Ų | 166 | 92.2 Ų | 92.2 | 72% | 0.722 | 47% | 0.469 | S | S | * | . | H | α-helix | trans | -94.1 | -24.3 | -177.8 | -76.7 | 177.2 | -179.7 | 177.2 | 0 | 113.4 | Q368 L369 | Q368-K372 WeakPolarHBondContact O-CG 3.21Å; Q368-K372 PolarHBondContact O-N 3.46Å; L369-K372 PolarHBondContact O-N 2.93Å; L369-K372 VanDerWaalsContact O-N 3.1Å |
| 373 | C | 76.4 | Confident | 78.4 | Confident | 27 Ų | 27 | 92.4 Ų | 92.4 | 18% | 0.182 | 47% | 0.465 | C | S | . | . | trans | -98 | 145.3 | -177.1 | -67.3 | 0 | 0 | 0 | 0 | 112.2 | L369 Y381 | L369-C373 PolarHBondContact O-N 3.07Å; C373-Y381 HydrophobicContact CB-CD2 4.05Å | ||
| 374 | T | 73.9 | Confident | 78.3 | Confident | 95 Ų | 95 | 88.2 Ų | 88.2 | 58% | 0.583 | 45% | 0.446 | S | S | * | . | trans | -107.6 | 169.8 | 171.2 | 45 | 0 | 0 | 0 | 0 | 110.9 | D376 D377 | T374-D376 PolarHBondContact O-N 3.06Å; T374-D377 PolarHBondContact O-N 3.3Å | ||
| 375 | D | 72.1 | Confident | 78.3 | Confident | 143 Ų | 143 | 85.9 Ų | 85.9 | 77% | 0.765 | 43% | 0.433 | S | S | * | . | G | 310 helix | trans | -57.1 | -22.3 | -175.5 | -71.6 | -17.2 | 0 | 0 | 0 | 114.3 | D377 L378 | D375-D377 VanDerWaalsContact C-N 3.33Å; D375-D377 PolarHBondContact O-N 3.05Å; D375-L378 WeakPolarHBondContact O-CD1 3.43Å; D375-L378 VanDerWaalsContact O-CG 3.31Å; D375-L378 WeakPolarHBondContact O-CG 3.22Å |
| 376 | D | 71.8 | Confident | 78.4 | Confident | 156 Ų | 156 | 82.4 Ų | 82.4 | 83% | 0.834 | 42% | 0.42 | S | S | * | . | G | 310 helix | trans | -76.1 | -14.9 | 177.6 | -64.6 | -37.2 | 0 | 0 | 0 | 113.9 | T374 | T374-D376 PolarHBondContact O-N 3.06Š|
| 377 | D | 78.2 | Confident | 78.3 | Confident | 79 Ų | 79 | 83.8 Ų | 83.8 | 42% | 0.422 | 43% | 0.428 | S | S | . | . | G | 310 helix | trans | -109.1 | 22.5 | -174.7 | -67.6 | -41.5 | 0 | 0 | 0 | 113.8 | T374 D375 E379 F380 Y381 | T374-D377 PolarHBondContact O-N 3.3Å; D375-D377 VanDerWaalsContact C-N 3.33Å; D375-D377 PolarHBondContact O-N 3.05Å; D377-E379 VanDerWaalsContact C-N 3.27Å; D377-E379 PolarHBondContact O-N 2.91Å; D377-E379 VanDerWaalsContact O-N 3.17Å; D377-F380 PolarHBondContact O-N 3.27Å; D377-F380 VanDerWaalsContact O-N 3.08Å; D377-Y381 PolarHBondContact O-N 3.04Å |
| 378 | L | 77.2 | Confident | 78.2 | Confident | 107 Ų | 107 | 83 Ų | 83 | 56% | 0.56 | 42% | 0.416 | S | S | * | . | H | α-helix | trans | -53.5 | -39.1 | -174.2 | -82.2 | 160.4 | 0 | 0 | 0 | 114 | D375 Y381 V382 | D375-L378 WeakPolarHBondContact O-CD1 3.43Å; D375-L378 VanDerWaalsContact O-CG 3.31Å; D375-L378 WeakPolarHBondContact O-CG 3.22Å; L378-Y381 PolarHBondContact O-N 3.35Å; L378-V382 VanDerWaalsContact O-CG2 3.32Å; L378-V382 WeakPolarHBondContact O-CG2 3.44Å; L378-V382 PolarHBondContact O-N 2.98Å |
| 379 | E | 77.9 | Confident | 78.1 | Confident | 130 Ų | 130 | 82.4 Ų | 82.4 | 61% | 0.607 | 42% | 0.416 | S | S | * | . | H | α-helix | trans | -67.9 | -40.6 | -179.8 | -172.8 | 171.8 | -179.2 | 0 | 0 | 112.1 | D377 R383 A402 | D377-E379 VanDerWaalsContact C-N 3.27Å; D377-E379 PolarHBondContact O-N 2.91Å; D377-E379 VanDerWaalsContact O-N 3.17Å; E379-R383 WeakPolarHBondContact O-CB 3.48Å; E379-R383 PolarHBondContact O-N 3.07Å; E379-A402 HydrophobicContact CG-CB 3.97Å |
| 380 | F | 78.7 | Confident | 77.8 | Confident | 110 Ų | 110 | 83.3 Ų | 83.3 | 48% | 0.482 | 43% | 0.43 | S | S | . | . | H | α-helix | trans | -66.5 | -41.5 | 175.5 | 178.3 | -98.3 | 0 | 0 | 0 | 111.3 | D377 R383 K384 | D377-F380 PolarHBondContact O-N 3.27Å; D377-F380 VanDerWaalsContact O-N 3.08Å; F380-R383 PolarHBondContact O-N 3.45Å; F380-K384 HydrophobicContact CD1-CG 4.34Å; F380-K384 HydrophobicContact CD2-CG 4.45Å; F380-K384 HydrophobicContact CE1-CG 3.93Å; F380-K384 HydrophobicContact CE2-CG 4.06Å; F380-K384 HydrophobicContact CZ-CD 4.34Å; F380-K384 HydrophobicContact CZ-CG 3.78Å; F380-K384 WeakPolarHBondContact O-CB 3.32Å; F380-K384 WeakPolarHBondContact O-CG 3.48Å; F380-K384 PolarHBondContact O-N 3.22Å |
| 381 | Y | 81.8 | Confident | 77.5 | Confident | 73 Ų | 73 | 81.4 Ų | 81.4 | 29% | 0.286 | 42% | 0.416 | S | S | . | . | H | α-helix | trans | -58.7 | -50.2 | 177 | 179.5 | -105 | 0 | 0 | 0 | 111.9 | L369 C373 D377 L378 R383 K384 C385 | L369-Y381 HydrophobicContact CB-CE2 4.34Å; L369-Y381 HydrophobicContact CD2-CD2 3.9Å; L369-Y381 HydrophobicContact CD2-CE2 4Å; L369-Y381 HydrophobicContact CG-CD2 3.83Å; L369-Y381 HydrophobicContact CG-CE2 3.93Å; C373-Y381 HydrophobicContact CB-CD2 4.05Å; D377-Y381 PolarHBondContact O-N 3.04Å; L378-Y381 PolarHBondContact O-N 3.35Å; Y381-R383 VanDerWaalsContact C-N 3.34Å; Y381-R383 PolarHBondContact O-N 3.06Å; Y381-K384 PolarHBondContact O-N 3.48Å; Y381-C385 WeakPolarHBondContact O-CB 3.47Å; Y381-C385 PolarHBondContact O-N 2.95Å; Y381-C385 PolarHBondContact O-SG 3.02Å |
| 382 | V | 81.9 | Confident | 76.7 | Confident | 26 Ų | 26 | 75.2 Ų | 75.2 | 16% | 0.158 | 38% | 0.384 | C | S | . | . | H | α-helix | trans | -63.8 | -40 | -179.1 | 173.2 | 0 | 0 | 0 | 0 | 111.7 | L378 C385 G386 A402 I405 L406 | L378-V382 VanDerWaalsContact O-CG2 3.32Å; L378-V382 WeakPolarHBondContact O-CG2 3.44Å; L378-V382 PolarHBondContact O-N 2.98Å; V382-C385 PolarHBondContact O-N 3.38Å; V382-G386 PolarHBondContact O-N 2.97Å; V382-A402 HydrophobicContact CB-CB 3.86Å; V382-A402 HydrophobicContact CG1-CB 3.7Å; V382-A402 WeakPolarHBondContact CG1-O 3.42Å; V382-I405 HydrophobicContact CG1-CG2 4.49Å; V382-L406 HydrophobicContact CG1-CD1 4.11Å; V382-L406 HydrophobicContact CG1-CD2 4.24Å; V382-L406 HydrophobicContact CG1-CG 3.8Å; V382-L406 HydrophobicContact CG2-CD1 4.37Å |
| 383 | R | 80.4 | Confident | 76 | Confident | 120 Ų | 120 | 70.5 Ų | 70.5 | 45% | 0.453 | 38% | 0.382 | S | S | . | . | H | α-helix | trans | -65.5 | -44.6 | 178.8 | -170.7 | 173.8 | 178.1 | 166.2 | 2.5 | 112.2 | E379 F380 Y381 G386 D387 I405 | E379-R383 WeakPolarHBondContact O-CB 3.48Å; E379-R383 PolarHBondContact O-N 3.07Å; F380-R383 PolarHBondContact O-N 3.45Å; Y381-R383 VanDerWaalsContact C-N 3.34Å; Y381-R383 PolarHBondContact O-N 3.06Å; R383-G386 PolarHBondContact O-N 3.02Å; R383-D387 PolarHBondContact O-N 3.42Å; R383-I405 HydrophobicContact CG-CD1 4.39Å |
| 384 | K | 78.7 | Confident | 75.3 | Confident | 87 Ų | 87 | 76.7 Ų | 76.7 | 38% | 0.378 | 41% | 0.406 | S | S | . | . | H | α-helix | trans | -67.8 | -36.3 | 177.6 | -75.3 | -66.3 | -172.8 | -178.6 | 0 | 112.8 | L369 F380 Y381 G386 D387 I388 | L369-K384 HydrophobicContact CD1-CB 4.18Å; L369-K384 HydrophobicContact CD2-CB 3.59Å; F380-K384 HydrophobicContact CD1-CG 4.34Å; F380-K384 HydrophobicContact CD2-CG 4.45Å; F380-K384 HydrophobicContact CE1-CG 3.93Å; F380-K384 HydrophobicContact CE2-CG 4.06Å; F380-K384 HydrophobicContact CZ-CD 4.34Å; F380-K384 HydrophobicContact CZ-CG 3.78Å; F380-K384 WeakPolarHBondContact O-CB 3.32Å; F380-K384 WeakPolarHBondContact O-CG 3.48Å; F380-K384 PolarHBondContact O-N 3.22Å; Y381-K384 PolarHBondContact O-N 3.48Å; K384-G386 VanDerWaalsContact C-N 3.32Å; K384-D387 PolarHBondContact O-N 3.4Å; K384-I388 WeakPolarHBondContact O-CG1 3.44Å; K384-I388 PolarHBondContact O-N 3.42Å |
| 385 | C | 80.1 | Confident | 74.9 | Confident | 18 Ų | 18 | 73.5 Ų | 73.5 | 12% | 0.122 | 39% | 0.386 | C | S | . | . | H | α-helix | trans | -60.7 | -41.8 | 170.2 | -72.4 | 0 | 0 | 0 | 0 | 111.8 | L366 Y381 V382 D387 I388 L389 | L366-C385 HydrophobicContact CD2-CB 3.84Å; L366-C385 WeakPolarHBondContact CD2-SG 3.47Å; Y381-C385 WeakPolarHBondContact O-CB 3.47Å; Y381-C385 PolarHBondContact O-N 2.95Å; Y381-C385 PolarHBondContact O-SG 3.02Å; V382-C385 PolarHBondContact O-N 3.38Å; C385-D387 VanDerWaalsContact C-N 3.34Å; C385-D387 PolarHBondContact O-N 3.08Å; C385-I388 PolarHBondContact O-N 3.05Å; C385-L389 WeakPolarHBondContact O-CB 3.41Å; C385-L389 WeakPolarHBondContact O-CG 3.49Å; C385-L389 PolarHBondContact O-N 3.43Å |
| 386 | G | 78.4 | Confident | 74.5 | Confident | 0 Ų | 0 | 73.1 Ų | 73.1 | 0% | 0 | 38% | 0.384 | C | S | . | . | H | α-helix | trans | -63.3 | -36.2 | 175.5 | 0 | 0 | 0 | 0 | 0 | 113.7 | V382 R383 K384 G390 V391 | V382-G386 PolarHBondContact O-N 2.97Å; R383-G386 PolarHBondContact O-N 3.02Å; K384-G386 VanDerWaalsContact C-N 3.32Å; G386-G390 PolarHBondContact O-N 3.26Å; G386-V391 PolarHBondContact O-N 3.31Å |
| 387 | D | 77.8 | Confident | 74 | Confident | 70 Ų | 70 | 74 Ų | 74 | 37% | 0.374 | 38% | 0.38 | S | S | . | . | H | α-helix | trans | -67.7 | -45 | 173.6 | -73 | -24.9 | 0 | 0 | 0 | 112 | R383 K384 C385 L389 G390 T392 | R383-D387 PolarHBondContact O-N 3.42Å; K384-D387 PolarHBondContact O-N 3.4Å; C385-D387 VanDerWaalsContact C-N 3.34Å; C385-D387 PolarHBondContact O-N 3.08Å; D387-L389 VanDerWaalsContact C-N 3.28Å; D387-L389 PolarHBondContact O-N 3.18Å; D387-G390 PolarHBondContact O-N 3.17Å; D387-G390 VanDerWaalsContact O-N 3.11Å; D387-T392 WeakPolarHBondContact CA-OG1 3.26Å; D387-T392 VanDerWaalsContact OD1-CB 3.26Å; D387-T392 WeakPolarHBondContact OD1-CB 3.48Å; D387-T392 WeakPolarHBondContact OD1-CG2 3.33Å; D387-T392 PolarHBondContact OD1-OG1 3.44Å |
| 388 | I | 79.4 | Confident | 73.1 | Confident | 31 Ų | 31 | 77.8 Ų | 77.8 | 16% | 0.159 | 40% | 0.4 | C | S | . | . | H | α-helix | trans | -62.3 | -37.8 | 179.1 | -67.8 | 164.1 | 0 | 0 | 0 | 111 | E362 R365 L366 L369 K384 C385 G390 | E362-I388 HydrophobicContact CB-CG2 4.25Å; R365-I388 HydrophobicContact CB-CD1 4.04Å; R365-I388 HydrophobicContact CB-CG1 4.49Å; R365-I388 HydrophobicContact CB-CG2 4.08Å; L366-I388 HydrophobicContact CD2-CB 4.38Å; L366-I388 HydrophobicContact CD2-CD1 4.18Å; L366-I388 HydrophobicContact CD2-CG2 4.32Å; L366-I388 HydrophobicContact CG-CG2 4.18Å; L369-I388 HydrophobicContact CD2-CD1 4.13Å; K384-I388 WeakPolarHBondContact O-CG1 3.44Å; K384-I388 PolarHBondContact O-N 3.42Å; C385-I388 PolarHBondContact O-N 3.05Å; I388-G390 VanDerWaalsContact C-N 3.28Å; I388-G390 PolarHBondContact O-N 2.91Å |
| 389 | L | 77.1 | Confident | 72.4 | Confident | 75 Ų | 75 | 77.6 Ų | 77.6 | 39% | 0.393 | 40% | 0.396 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -83.9 | 1.5 | 178.7 | -67.4 | 168.5 | 0 | 0 | 0 | 113.6 | L366 C385 D387 V391 | L366-L389 HydrophobicContact CD1-CD2 4.21Å; L366-L389 HydrophobicContact CD1-CG 4.43Å; C385-L389 WeakPolarHBondContact O-CB 3.41Å; C385-L389 WeakPolarHBondContact O-CG 3.49Å; C385-L389 PolarHBondContact O-N 3.43Å; D387-L389 VanDerWaalsContact C-N 3.28Å; D387-L389 PolarHBondContact O-N 3.18Å; L389-V391 HydrophobicContact CB-CG2 3.96Å; L389-V391 PolarHBondContact O-N 3.44Å |
| 390 | G | 74 | Confident | 71.8 | Confident | 42 Ų | 42 | 75.6 Ų | 75.6 | 43% | 0.433 | 38% | 0.383 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 67.2 | 18.4 | 178.6 | 0 | 0 | 0 | 0 | 0 | 114.9 | G386 D387 I388 | G386-G390 PolarHBondContact O-N 3.26Å; D387-G390 PolarHBondContact O-N 3.17Å; D387-G390 VanDerWaalsContact O-N 3.11Å; I388-G390 VanDerWaalsContact C-N 3.28Å; I388-G390 PolarHBondContact O-N 2.91Å |
| 391 | V | 72.2 | Confident | 71.6 | Confident | 11 Ų | 11 | 74.4 Ų | 74.4 | 7% | 0.067 | 38% | 0.382 | C | S | . | . | trans | -77.1 | -31.7 | -177.4 | 179.8 | 0 | 0 | 0 | 0 | 111.1 | G386 L389 G393 K394 L395 H408 | G386-V391 PolarHBondContact O-N 3.31Å; L389-V391 HydrophobicContact CB-CG2 3.96Å; L389-V391 PolarHBondContact O-N 3.44Å; V391-G393 PolarHBondContact O-N 2.85Å; V391-K394 PolarHBondContact O-N 3.38Å; V391-L395 HydrophobicContact CG1-CD1 3.98Å; V391-H408 HydrophobicContact CG1-CB 4.41Å | ||
| 392 | T | 64.5 | Low | 71.2 | Confident | 13 Ų | 13 | 71.6 Ų | 71.6 | 8% | 0.08 | 37% | 0.374 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -68 | -16.7 | 179.2 | 44.4 | 0 | 0 | 0 | 0 | 114.5 | D387 K394 R400 I405 | D387-T392 WeakPolarHBondContact CA-OG1 3.26Å; D387-T392 VanDerWaalsContact OD1-CB 3.26Å; D387-T392 WeakPolarHBondContact OD1-CB 3.48Å; D387-T392 WeakPolarHBondContact OD1-CG2 3.33Å; D387-T392 PolarHBondContact OD1-OG1 3.44Å; T392-K394 VanDerWaalsContact C-N 3.33Å; T392-R400 PolarHBondContact O-NH2 2.87Å; T392-I405 HydrophobicContact CG2-CD1 3.84Å; T392-I405 HydrophobicContact CG2-CG1 4.42Å |
| 393 | G | 62.7 | Low | 71.1 | Confident | 67 Ų | 67 | 78.7 Ų | 78.7 | 69% | 0.691 | 40% | 0.402 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76.9 | -17.2 | 171.3 | 0 | 0 | 0 | 0 | 0 | 114.1 | V391 | V391-G393 PolarHBondContact O-N 2.85Š|
| 394 | K | 63.4 | Low | 70.9 | Confident | 158 Ų | 158 | 75.5 Ų | 75.5 | 69% | 0.687 | 39% | 0.393 | S | S | * | . | S | Bend | trans | -100 | -3.4 | -178.8 | -61.2 | 179.3 | -178.6 | 175.5 | 0 | 113.5 | V391 T392 | V391-K394 PolarHBondContact O-N 3.38Å; T392-K394 VanDerWaalsContact C-N 3.33Å |
| 395 | L | 63.7 | Low | 70.8 | Confident | 28 Ų | 28 | 71.4 Ų | 71.4 | 15% | 0.147 | 38% | 0.375 | C | S | . | . | S | Bend | trans | -108.5 | 142.3 | -179.2 | -73.6 | 153 | 0 | 0 | 0 | 110.3 | V391 I405 | V391-L395 HydrophobicContact CG1-CD1 3.98Å; L395-I405 HydrophobicContact CD1-CG1 4.03Å |
| 396 | D | 64.6 | Low | 70.8 | Confident | 135 Ų | 135 | 73.8 Ų | 73.8 | 72% | 0.722 | 39% | 0.386 | S | S | * | . | trans | -62 | 151.5 | 178.4 | -105.1 | -33.5 | 0 | 0 | 0 | 112.3 | D398 Q399 | D396-D398 PolarHBondContact O-N 3.46Å; D396-Q399 PolarHBondContact O-N 3.18Å | ||
| 397 | K | 60.8 | Low | 70.9 | Confident | 173 Ų | 173 | 79.9 Ų | 79.9 | 75% | 0.752 | 42% | 0.415 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.7 | -25.7 | -169.6 | -73.1 | 179.7 | -179.9 | 175 | 0 | 114.3 | ||
| 398 | D | 60.7 | Low | 71 | Confident | 160 Ų | 160 | 79.2 Ų | 79.2 | 86% | 0.856 | 41% | 0.409 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -95.5 | -1.2 | -177.7 | -63.6 | -32 | 0 | 0 | 0 | 114 | D396 | D396-D398 PolarHBondContact O-N 3.46Š|
| 399 | Q | 61.5 | Low | 70.9 | Confident | 102 Ų | 102 | 80.2 Ų | 80.2 | 48% | 0.477 | 41% | 0.414 | S | S | . | . | trans | -123.1 | 46.7 | -178.8 | -64.7 | -168.3 | -2.9 | 0 | 0 | 112.9 | D396 | D396-Q399 PolarHBondContact O-N 3.18Š| ||
| 400 | R | 66.3 | Low | 71.1 | Confident | 89 Ų | 89 | 82.8 Ų | 82.8 | 34% | 0.336 | 42% | 0.423 | S | S | . | . | trans | -100.2 | 27.5 | -179.8 | -65.5 | -179.1 | 172.3 | -171.6 | -6.2 | 113.8 | T392 | T392-R400 PolarHBondContact O-NH2 2.87Š| ||
| 401 | D | 74.4 | Confident | 71.5 | Confident | 85 Ų | 85 | 86.7 Ų | 86.7 | 46% | 0.455 | 43% | 0.428 | S | S | . | . | S | Bend | trans | -80.4 | 152.3 | 175.2 | -69.8 | -15.1 | 0 | 0 | 0 | 111.2 | K403 H404 I405 | D401-K403 PolarHBondContact O-N 3.35Å; D401-H404 PolarHBondContact O-N 2.91Å; D401-I405 PolarHBondContact O-N 2.89Å |
| 402 | A | 72.7 | Confident | 71.7 | Confident | 14 Ų | 14 | 90.2 Ų | 90.2 | 12% | 0.116 | 44% | 0.443 | C | S | . | . | H | α-helix | trans | -52.7 | -31.9 | -177.7 | 0 | 0 | 0 | 0 | 0 | 113.5 | E379 V382 L406 | E379-A402 HydrophobicContact CG-CB 3.97Å; V382-A402 HydrophobicContact CB-CB 3.86Å; V382-A402 HydrophobicContact CG1-CB 3.7Å; V382-A402 WeakPolarHBondContact CG1-O 3.42Å; A402-L406 WeakPolarHBondContact O-CG 3.32Å; A402-L406 PolarHBondContact O-N 3.37Å |
| 403 | K | 79.3 | Confident | 72.4 | Confident | 174 Ų | 174 | 92.9 Ų | 92.9 | 76% | 0.757 | 46% | 0.46 | S | S | * | . | H | α-helix | trans | -65.6 | -43 | 178.2 | -65.8 | -178.7 | -177.8 | 175.3 | 0 | 113 | D401 L406 E407 | D401-K403 PolarHBondContact O-N 3.35Å; K403-L406 PolarHBondContact O-N 2.92Å; K403-E407 WeakPolarHBondContact O-CB 3.04Å; K403-E407 PolarHBondContact O-N 3.14Å |
| 404 | H | 76.3 | Confident | 73.3 | Confident | 54 Ų | 54 | 93.2 Ų | 93.2 | 25% | 0.25 | 45% | 0.448 | C | S | . | . | H | α-helix | trans | -73.1 | -33.8 | -177.9 | -61.9 | 97 | 0 | 0 | 0 | 111.8 | D401 E407 H408 | D401-H404 PolarHBondContact O-N 2.91Å; H404-E407 PolarHBondContact O-N 2.81Å; H404-H408 WeakPolarHBondContact O-CB 3.47Å; H404-H408 PolarHBondContact O-N 3.25Å |
| 405 | I | 78.1 | Confident | 74 | Confident | 1 Ų | 1 | 90.7 Ų | 90.7 | 1% | 0.005 | 44% | 0.439 | C | S | . | . | H | α-helix | trans | -64 | -45.4 | 173.8 | -63.2 | 172 | 0 | 0 | 0 | 110.1 | V382 R383 T392 L395 D401 H408 I409 | V382-I405 HydrophobicContact CG1-CG2 4.49Å; R383-I405 HydrophobicContact CG-CD1 4.39Å; T392-I405 HydrophobicContact CG2-CD1 3.84Å; T392-I405 HydrophobicContact CG2-CG1 4.42Å; L395-I405 HydrophobicContact CD1-CG1 4.03Å; D401-I405 PolarHBondContact O-N 2.89Å; I405-H408 PolarHBondContact O-N 3.43Å; I405-I409 HydrophobicContact CG2-CD1 4.09Å; I405-I409 WeakPolarHBondContact O-CG1 3.43Å; I405-I409 PolarHBondContact O-N 2.79Å; I405-I409 VanDerWaalsContact O-N 3.13Å |
| 406 | L | 80.1 | Confident | 74.5 | Confident | 68 Ų | 68 | 95.7 Ų | 95.7 | 36% | 0.356 | 46% | 0.46 | S | S | . | . | H | α-helix | trans | -66.2 | -42.2 | 176.6 | -73.4 | 172.1 | 0 | 0 | 0 | 112.1 | V382 A402 K403 H408 I409 F410 | V382-L406 HydrophobicContact CG1-CD1 4.11Å; V382-L406 HydrophobicContact CG1-CD2 4.24Å; V382-L406 HydrophobicContact CG1-CG 3.8Å; V382-L406 HydrophobicContact CG2-CD1 4.37Å; A402-L406 WeakPolarHBondContact O-CG 3.32Å; A402-L406 PolarHBondContact O-N 3.37Å; K403-L406 PolarHBondContact O-N 2.92Å; L406-H408 VanDerWaalsContact C-N 3.32Å; L406-H408 PolarHBondContact O-N 3.13Å; L406-I409 PolarHBondContact O-N 3.05Å; L406-F410 HydrophobicContact CB-CD2 4.16Å; L406-F410 HydrophobicContact CB-CE2 4.05Å; L406-F410 HydrophobicContact CD2-CE2 4.31Å; L406-F410 WeakPolarHBondContact O-CB 3.42Å; L406-F410 WeakPolarHBondContact O-CD2 3.46Å; L406-F410 WeakPolarHBondContact O-CG 3.25Å; L406-F410 PolarHBondContact O-N 3.45Å |
| 407 | E | 80.5 | Confident | 74.9 | Confident | 128 Ų | 128 | 96.1 Ų | 96.1 | 60% | 0.598 | 46% | 0.455 | S | S | * | . | H | α-helix | trans | -56.7 | -46 | 175.6 | -177.2 | 176.2 | -161.4 | 0 | 0 | 111.6 | K403 H404 I409 F410 F411 | K403-E407 WeakPolarHBondContact O-CB 3.04Å; K403-E407 PolarHBondContact O-N 3.14Å; H404-E407 PolarHBondContact O-N 2.81Å; E407-I409 PolarHBondContact O-N 3.16Å; E407-F410 PolarHBondContact O-N 3.34Å; E407-F411 WeakPolarHBondContact O-CB 3.03Å; E407-F411 PolarHBondContact O-N 3.42Å |
| 408 | H | 78.1 | Confident | 75.5 | Confident | 56 Ų | 56 | 94.2 Ų | 94.2 | 26% | 0.259 | 45% | 0.447 | S | S | . | . | H | α-helix | trans | -62.5 | -42.4 | 177.8 | -170.1 | 77.5 | 0 | 0 | 0 | 112.4 | V391 H404 I405 L406 F411 Q412 | V391-H408 HydrophobicContact CG1-CB 4.41Å; H404-H408 WeakPolarHBondContact O-CB 3.47Å; H404-H408 PolarHBondContact O-N 3.25Å; I405-H408 PolarHBondContact O-N 3.43Å; L406-H408 VanDerWaalsContact C-N 3.32Å; L406-H408 PolarHBondContact O-N 3.13Å; H408-F411 PolarHBondContact O-N 3.07Å; H408-Q412 PolarHBondContact NE2-NE2 2.92Å; H408-Q412 PolarHBondContact O-N 2.87Å; H408-Q412 VanDerWaalsContact O-N 3.08Å |
| 409 | I | 79.1 | Confident | 75.4 | Confident | 51 Ų | 51 | 92.9 Ų | 92.9 | 26% | 0.262 | 44% | 0.439 | S | S | . | . | H | α-helix | trans | -66.4 | -44.8 | 177 | -67.7 | 169.4 | 0 | 0 | 0 | 110.5 | I405 L406 E407 F411 Q412 V413 | I405-I409 HydrophobicContact CG2-CD1 4.09Å; I405-I409 WeakPolarHBondContact O-CG1 3.43Å; I405-I409 PolarHBondContact O-N 2.79Å; I405-I409 VanDerWaalsContact O-N 3.13Å; L406-I409 PolarHBondContact O-N 3.05Å; E407-I409 PolarHBondContact O-N 3.16Å; I409-F411 VanDerWaalsContact C-N 3.31Å; I409-F411 PolarHBondContact O-N 3.28Å; I409-Q412 PolarHBondContact O-N 2.99Å; I409-V413 HydrophobicContact CG2-CG2 4.43Å; I409-V413 WeakPolarHBondContact O-CG2 3.4Å; I409-V413 PolarHBondContact O-N 3.05Å |
| 410 | F | 81 | Confident | 75.3 | Confident | 130 Ų | 130 | 91 Ų | 91 | 57% | 0.57 | 43% | 0.432 | S | S | * | . | H | α-helix | trans | -64.3 | -37.1 | 178 | -76.6 | -56.3 | 0 | 0 | 0 | 111.9 | L406 E407 V413 V414 | L406-F410 HydrophobicContact CB-CD2 4.16Å; L406-F410 HydrophobicContact CB-CE2 4.05Å; L406-F410 HydrophobicContact CD2-CE2 4.31Å; L406-F410 WeakPolarHBondContact O-CB 3.42Å; L406-F410 WeakPolarHBondContact O-CD2 3.46Å; L406-F410 WeakPolarHBondContact O-CG 3.25Å; L406-F410 PolarHBondContact O-N 3.45Å; E407-F410 PolarHBondContact O-N 3.34Å; F410-V413 PolarHBondContact O-N 3.15Å; F410-V414 WeakPolarHBondContact O-CB 3.31Å; F410-V414 VanDerWaalsContact O-CG2 3.25Å; F410-V414 WeakPolarHBondContact O-CG2 3.39Å; F410-V414 PolarHBondContact O-N 3.32Å |
| 411 | F | 81.1 | Confident | 74.7 | Confident | 123 Ų | 123 | 93.1 Ų | 93.1 | 54% | 0.539 | 45% | 0.446 | S | S | . | . | H | α-helix | trans | -61.8 | -46.3 | 174.1 | -164.9 | -92.2 | 0 | 0 | 0 | 111.4 | E407 H408 I409 V413 V414 E415 | E407-F411 WeakPolarHBondContact O-CB 3.03Å; E407-F411 PolarHBondContact O-N 3.42Å; H408-F411 PolarHBondContact O-N 3.07Å; I409-F411 VanDerWaalsContact C-N 3.31Å; I409-F411 PolarHBondContact O-N 3.28Å; F411-V413 VanDerWaalsContact C-N 3.35Å; F411-V413 PolarHBondContact O-N 3.22Å; F411-V414 PolarHBondContact O-N 3.43Å; F411-E415 HydrophobicContact CD1-CG 4.15Å; F411-E415 HydrophobicContact CE1-CG 3.87Å; F411-E415 WeakPolarHBondContact CE1-OE1 3.31Å; F411-E415 PolarHBondContact O-N 2.97Å |
| 412 | Q | 76.4 | Confident | 73.5 | Confident | 85 Ų | 85 | 96.4 Ų | 96.4 | 40% | 0.397 | 46% | 0.458 | S | S | . | . | H | α-helix | trans | -62.1 | -39.4 | 174.8 | -75.1 | -176.3 | -0.3 | 0 | 0 | 112.8 | H408 I409 V414 E415 F416 | H408-Q412 PolarHBondContact NE2-NE2 2.92Å; H408-Q412 PolarHBondContact O-N 2.87Å; H408-Q412 VanDerWaalsContact O-N 3.08Å; I409-Q412 PolarHBondContact O-N 2.99Å; Q412-V414 VanDerWaalsContact C-N 3.34Å; Q412-E415 PolarHBondContact O-N 3.3Å; Q412-F416 VanDerWaalsContact O-CB 3.26Å; Q412-F416 WeakPolarHBondContact O-CB 3.3Å; Q412-F416 PolarHBondContact O-N 3.5Å |
| 413 | V | 79.6 | Confident | 72.2 | Confident | 70 Ų | 70 | 102.6 Ų | 102.6 | 42% | 0.424 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -66.4 | -38.1 | 176 | 171.6 | 0 | 0 | 0 | 0 | 111.3 | I409 F410 F411 K417 | I409-V413 HydrophobicContact CG2-CG2 4.43Å; I409-V413 WeakPolarHBondContact O-CG2 3.4Å; I409-V413 PolarHBondContact O-N 3.05Å; F410-V413 PolarHBondContact O-N 3.15Å; F411-V413 VanDerWaalsContact C-N 3.35Å; F411-V413 PolarHBondContact O-N 3.22Å; V413-K417 WeakPolarHBondContact O-CB 3.17Å; V413-K417 PolarHBondContact O-N 3.1Å |
| 414 | V | 82.9 | Confident | 70.6 | Confident | 73 Ų | 73 | 100.5 Ų | 100.5 | 44% | 0.442 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -67.8 | -43.5 | 175.7 | 169 | 0 | 0 | 0 | 0 | 111 | F410 F411 Q412 K417 K418 | F410-V414 WeakPolarHBondContact O-CB 3.31Å; F410-V414 VanDerWaalsContact O-CG2 3.25Å; F410-V414 WeakPolarHBondContact O-CG2 3.39Å; F410-V414 PolarHBondContact O-N 3.32Å; F411-V414 PolarHBondContact O-N 3.43Å; Q412-V414 VanDerWaalsContact C-N 3.34Å; V414-K417 PolarHBondContact O-N 3.23Å; V414-K418 HydrophobicContact CG1-CD 4.36Å; V414-K418 WeakPolarHBondContact O-CG 3.47Å; V414-K418 PolarHBondContact O-N 3.48Å |
| 415 | E | 76.4 | Confident | 69 | Low | 106 Ų | 106 | 104.9 Ų | 104.9 | 50% | 0.495 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -61.3 | -44.8 | 173.1 | -78.9 | -167.2 | 148.5 | 0 | 0 | 111.9 | F411 Q412 K417 K418 L419 | F411-E415 HydrophobicContact CD1-CG 4.15Å; F411-E415 HydrophobicContact CE1-CG 3.87Å; F411-E415 WeakPolarHBondContact CE1-OE1 3.31Å; F411-E415 PolarHBondContact O-N 2.97Å; Q412-E415 PolarHBondContact O-N 3.3Å; E415-K417 VanDerWaalsContact C-N 3.34Å; E415-K417 PolarHBondContact O-N 3.46Å; E415-K418 PolarHBondContact O-N 2.93Å; E415-L419 PolarHBondContact O-N 2.98Å |
| 416 | F | 75 | Confident | 67.3 | Low | 133 Ų | 133 | 111.5 Ų | 111.5 | 58% | 0.583 | 54% | 0.542 | S | S | * | . | H | α-helix | trans | -61.1 | -41.8 | 176.5 | -175.1 | -98.5 | 0 | 0 | 0 | 112 | Q412 L419 N420 | Q412-F416 VanDerWaalsContact O-CB 3.26Å; Q412-F416 WeakPolarHBondContact O-CB 3.3Å; Q412-F416 PolarHBondContact O-N 3.5Å; F416-L419 PolarHBondContact O-N 3.02Å; F416-N420 VanDerWaalsContact CE1-ND2 3.3Å; F416-N420 WeakPolarHBondContact CE1-ND2 3.4Å; F416-N420 PolarHBondContact O-N 3.5Å |
| 417 | K | 73.3 | Confident | 65.4 | Low | 144 Ų | 144 | 113.3 Ų | 113.3 | 63% | 0.626 | 56% | 0.555 | S | S | * | * | H | α-helix | trans | -69.2 | -33 | 174.8 | -85.6 | -168.8 | 172.4 | -173.6 | 0 | 113.5 | V413 V414 E415 L419 N420 Q421 | V413-K417 WeakPolarHBondContact O-CB 3.17Å; V413-K417 PolarHBondContact O-N 3.1Å; V414-K417 PolarHBondContact O-N 3.23Å; E415-K417 VanDerWaalsContact C-N 3.34Å; E415-K417 PolarHBondContact O-N 3.46Å; K417-L419 VanDerWaalsContact C-N 3.35Å; K417-N420 PolarHBondContact O-N 3.38Å; K417-Q421 PolarHBondContact O-N 3.38Å |
| 418 | K | 73.1 | Confident | 63.3 | Low | 133 Ų | 133 | 116 Ų | 116 | 58% | 0.578 | 57% | 0.568 | S | S | * | * | H | α-helix | trans | -65.2 | -39.4 | 172.8 | -77.8 | 176.6 | 179.5 | 179.3 | 0 | 111.4 | V414 E415 N420 Q421 | V414-K418 HydrophobicContact CG1-CD 4.36Å; V414-K418 WeakPolarHBondContact O-CG 3.47Å; V414-K418 PolarHBondContact O-N 3.48Å; E415-K418 PolarHBondContact O-N 2.93Å; K418-N420 VanDerWaalsContact C-N 3.35Å; K418-Q421 PolarHBondContact O-N 3.49Å |
| 419 | L | 58.4 | Low | 61.2 | Low | 131 Ų | 131 | 119.1 Ų | 119.1 | 69% | 0.686 | 59% | 0.591 | S | S | * | * | H | α-helix | trans | -65.1 | -37.1 | 176.7 | -138.4 | 84.7 | 0 | 0 | 0 | 112.3 | E415 F416 K417 | E415-L419 PolarHBondContact O-N 2.98Å; F416-L419 PolarHBondContact O-N 3.02Å; K417-L419 VanDerWaalsContact C-N 3.35Å |
| 420 | N | 58.5 | Low | 59.5 | Low | 64 Ų | 64 | 127.6 Ų | 127.6 | 34% | 0.342 | 62% | 0.62 | S | S | . | * | H | α-helix | trans | -79.3 | -11.7 | 178.6 | -75.4 | -12.9 | 0 | 0 | 0 | 114.4 | F416 K417 K418 E422 H423 D424 | F416-N420 VanDerWaalsContact CE1-ND2 3.3Å; F416-N420 WeakPolarHBondContact CE1-ND2 3.4Å; F416-N420 PolarHBondContact O-N 3.5Å; K417-N420 PolarHBondContact O-N 3.38Å; K418-N420 VanDerWaalsContact C-N 3.35Å; N420-E422 VanDerWaalsContact C-N 3.26Å; N420-E422 PolarHBondContact O-N 2.87Å; N420-H423 PolarHBondContact O-N 3.15Å; N420-D424 PolarHBondContact O-N 3.3Å |
| 421 | Q | 54.8 | Low | 57.1 | Low | 132 Ų | 132 | 131.2 Ų | 131.2 | 62% | 0.617 | 64% | 0.636 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -68.4 | -24 | 173.2 | -84.4 | -179.7 | -13.9 | 0 | 0 | 112.9 | K417 K418 H423 | K417-Q421 PolarHBondContact O-N 3.38Å; K418-Q421 PolarHBondContact O-N 3.49Å; Q421-H423 VanDerWaalsContact C-N 3.34Å |
| 422 | E | 48.8 | Very low | 54.8 | Low | 155 Ų | 155 | 130.6 Ų | 130.6 | 72% | 0.724 | 65% | 0.647 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -76.3 | -21.2 | 173.2 | -71.5 | -171.5 | 161.2 | 0 | 0 | 112.7 | N420 | N420-E422 VanDerWaalsContact C-N 3.26Å; N420-E422 PolarHBondContact O-N 2.87Å |
| 423 | H | 46.3 | Very low | 52.9 | Low | 144 Ų | 144 | 131.5 Ų | 131.5 | 67% | 0.667 | 66% | 0.66 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -87.6 | -26.5 | 178.1 | -95.1 | -15.5 | 0 | 0 | 0 | 114.4 | N420 Q421 L425 | N420-H423 PolarHBondContact O-N 3.15Å; Q421-H423 VanDerWaalsContact C-N 3.34Å; H423-L425 VanDerWaalsContact C-N 3.34Å; H423-L425 PolarHBondContact O-N 3.37Å |
| 424 | D | 44 | Very low | 50.8 | Low | 130 Ų | 130 | 141.8 Ų | 141.8 | 70% | 0.695 | 70% | 0.7 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80.6 | -9.9 | 179.1 | -81.5 | -27.7 | 0 | 0 | 0 | 113.9 | N420 | N420-D424 PolarHBondContact O-N 3.3Š|
| 425 | L | 43.2 | Very low | 49.2 | Very low | 146 Ų | 146 | 145.3 Ų | 145.3 | 76% | 0.764 | 71% | 0.713 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -86.3 | -16.8 | 178.3 | -78 | 163.4 | 0 | 0 | 0 | 114.3 | H423 | H423-L425 VanDerWaalsContact C-N 3.34Å; H423-L425 PolarHBondContact O-N 3.37Å |
| 426 | D | 43.3 | Very low | 47.8 | Very low | 140 Ų | 140 | 147.3 Ų | 147.3 | 75% | 0.749 | 72% | 0.724 | S | S | * | * | S | Bend | trans | -101.7 | 1.4 | -174.2 | -80.6 | -21.6 | 0 | 0 | 0 | 114.6 | ||
| 427 | T | 39.3 | Very low | 46.3 | Very low | 105 Ų | 105 | 148.1 Ų | 148.1 | 64% | 0.644 | 73% | 0.732 | S | S | * | * | trans | -107.9 | 5.5 | -179.2 | 25.1 | 0 | 0 | 0 | 0 | 116.4 | T429 | T427-T429 VanDerWaalsContact C-N 3.3Å; T427-T429 PolarHBondContact O-N 3.18Å | ||
| 428 | E | 36.1 | Very low | 44.7 | Very low | 185 Ų | 185 | 148.4 Ų | 148.4 | 86% | 0.864 | 74% | 0.738 | S | S | * | * | trans | -88.8 | 61.8 | 168.5 | -72.5 | -162.2 | 164.6 | 0 | 0 | 112.4 | R430 | E428-R430 PolarHBondContact O-N 3.15Å; E428-R430 VanDerWaalsContact O-N 3.15Å | ||
| 429 | T | 34.9 | Very low | 42.9 | Very low | 122 Ų | 122 | 149.3 Ų | 149.3 | 75% | 0.748 | 75% | 0.748 | S | S | * | * | trans | -73.8 | 100.6 | 158.6 | 40.1 | 0 | 0 | 0 | 0 | 110.1 | T427 | T427-T429 VanDerWaalsContact C-N 3.3Å; T427-T429 PolarHBondContact O-N 3.18Å | ||
| 430 | R | 43.5 | Very low | 41.9 | Very low | 229 Ų | 229 | 150.5 Ų | 150.5 | 86% | 0.864 | 75% | 0.752 | S | S | * | * | trans | 16 | 105.2 | 149.2 | -67.7 | -179.4 | 177.8 | 175.8 | -0.4 | 116.4 | E428 | E428-R430 PolarHBondContact O-N 3.15Å; E428-R430 VanDerWaalsContact O-N 3.15Å | ||
| 431 | F | 30.4 | Very low | 40.7 | Very low | 206 Ų | 206 | 156.7 Ų | 156.7 | 90% | 0.904 | 78% | 0.781 | S | S | * | * | trans | -123.7 | 103.3 | 144.3 | -97.6 | -87.9 | 0 | 0 | 0 | 108.9 | ||||
| 432 | S | 32.6 | Very low | 39.6 | Very low | 109 Ų | 109 | 158.6 Ų | 158.6 | 76% | 0.762 | 79% | 0.794 | S | S | * | * | trans | -83.8 | 134.9 | 163.8 | -52.1 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 433 | P | 37.2 | Very low | 38.9 | Very low | 105 Ų | 105 | 158.9 Ų | 158.9 | 68% | 0.682 | 80% | 0.8 | S | S | * | * | trans | -132.7 | 117.2 | 142.3 | 31.9 | -16 | 0 | 0 | 0 | 110.7 | ||||
| 434 | F | 35.7 | Very low | 38.2 | Very low | 286 Ų | 286 | 160.3 Ų | 160.3 | 100% | 1.254 | 81% | 0.812 | S | S | * | * | trans | 70.2 | 0 | 168.9 | -61.6 | -77.8 | 0 | 0 | 0 | 118.8 |
Retrieved 434 of 434 residues in 901.2 ms
(Link to these results)