| 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 | 94.3 | Very high | 89.1 | Confident | 136 Ų | 136 | 64.3 Ų | 64.3 | 67% | 0.67 | 32% | 0.321 | S | S | * | . | 0 | 136 | 0 | 178.5 | 174.4 | 178.3 | 0 | 0 | 108 | L37 L43 G45 | M1-L37 HydrophobicContact CB-CD1 4.05Å; M1-L37 HydrophobicContact CB-CD2 4Å; M1-L37 HydrophobicContact CG-CD1 4.49Å; M1-L37 HydrophobicContact SD-CD1 4.34Å; M1-L37 HydrophobicContact SD-CD2 3.76Å; M1-L43 PolarHBondContact N-O 2.8Å; M1-G45 PolarHBondContact O-N 3.48Å | |||
| 2 | V | 95.4 | Very high | 89.1 | Confident | 54 Ų | 54 | 61.8 Ų | 61.8 | 33% | 0.327 | 31% | 0.305 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.1 | 129.3 | -179.2 | -173.8 | 0 | 0 | 0 | 0 | 108.6 | G45 F79 | V2-G45 WeakPolarHBondContact CA-O 3.16Å; V2-F79 HydrophobicContact CG1-CD1 4.08Å; V2-F79 HydrophobicContact CG1-CE1 4.14Å; V2-F79 HydrophobicContact CG2-CD1 3.81Å; V2-F79 HydrophobicContact CG2-CE1 4.06Å; V2-F79 HydrophobicContact CG2-CG 4.39Å |
| 3 | I | 94.7 | Very high | 89 | Confident | 23 Ų | 23 | 60.9 Ų | 60.9 | 12% | 0.118 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.5 | 119.6 | 168.2 | -65.7 | 174 | 0 | 0 | 0 | 107.3 | W7 F26 I30 V33 F44 G45 I46 N47 | I3-W7 HydrophobicContact CG2-CB 3.6Å; I3-W7 HydrophobicContact CG2-CG 3.87Å; I3-F26 HydrophobicContact CD1-CE1 3.99Å; I3-F26 HydrophobicContact CD1-CZ 4.28Å; I3-I30 HydrophobicContact CD1-CD1 4.3Å; I3-V33 HydrophobicContact CD1-CG1 4.2Å; I3-F44 HydrophobicContact CD1-CE2 3.71Å; I3-F44 HydrophobicContact CD1-CZ 3.9Å; I3-F44 HydrophobicContact CG1-CE2 3.96Å; I3-G45 PolarHBondContact N-O 3.44Å; I3-I46 HydrophobicContact CB-CG1 4.46Å; I3-I46 CarbonylContact O-C 3.57Å; I3-I46 WeakPolarHBondContact O-CA 3.46Å; I3-N47 PolarHBondContact O-N 2.86Å |
| 4 | D | 91.1 | Very high | 88.9 | Confident | 64 Ų | 64 | 65.2 Ų | 65.2 | 34% | 0.342 | 34% | 0.341 | S | S | . | . | trans | -83 | -160.2 | 175.9 | -146.5 | -83.6 | 0 | 0 | 0 | 111.2 | W7 K81 | D4-W7 VanDerWaalsContact O-CD1 3.3Å; D4-K81 IonicContact OD1-NZ 3.55Å; D4-K81 PolarHBondContact OD1-NZ 3.36Å; D4-K81 VanDerWaalsContact OD2-CD 3.3Å; D4-K81 WeakPolarHBondContact OD2-CD 3.08Å; D4-K81 IonicContact OD2-NZ 2.68Å; D4-K81 PolarHBondContact OD2-NZ 3.45Å | ||
| 5 | D | 84.8 | Confident | 88.8 | Confident | 32 Ų | 32 | 73.5 Ų | 73.5 | 17% | 0.171 | 37% | 0.373 | C | S | . | . | S | Bend | trans | -58.5 | 170.9 | -176.7 | -152.1 | -4.4 | 0 | 0 | 0 | 114.1 | W7 S56 | D5-W7 PolarHBondContact O-N 3.01Å; D5-S56 VanDerWaalsContact CG-OG 3.27Å; D5-S56 PolarHBondContact OD1-OG 3.29Å; D5-S56 WeakPolarHBondContact OD2-CB 3.36Å; D5-S56 PolarHBondContact OD2-OG 2.89Å |
| 6 | F | 85.4 | Confident | 88.7 | Confident | 109 Ų | 109 | 76.8 Ų | 76.8 | 48% | 0.478 | 39% | 0.389 | S | S | . | . | S | Bend | trans | 72.6 | 12 | -179.9 | -53.4 | -85.8 | 0 | 0 | 0 | 115.5 | R25 Y58 | F6-R25 PolarHBondContact O-NH1 3.45Å; F6-R25 PolarHBondContact O-NH2 2.73Å; F6-Y58 HydrophobicContact CB-CE2 4.44Å; F6-Y58 AromaticContact CD1-CE2 3.46Å; F6-Y58 HydrophobicContact CD1-CE2 3.46Å; F6-Y58 VanDerWaalsContact CD1-CE2 3.46Å; F6-Y58 AromaticContact CD1-CZ 3.9Å; F6-Y58 AromaticContact CE1-CE2 3.95Å; F6-Y58 HydrophobicContact CE1-CE2 3.95Å; F6-Y58 HydrophobicContact CG-CE2 4.22Å |
| 7 | W | 90.6 | Very high | 88.6 | Confident | 1 Ų | 1 | 76.1 Ų | 76.1 | 0% | 0.004 | 39% | 0.386 | C | S | . | . | trans | -83.4 | -22.9 | 175.7 | 68.9 | -88.4 | 0 | 0 | 0 | 114.2 | I3 D4 D5 M19 A21 Y22 F26 I30 I46 N47 L48 W75 | I3-W7 HydrophobicContact CG2-CB 3.6Å; I3-W7 HydrophobicContact CG2-CG 3.87Å; D4-W7 VanDerWaalsContact O-CD1 3.3Å; D5-W7 PolarHBondContact O-N 3.01Å; W7-M19 HydrophobicContact CH2-CB 4.21Å; W7-M19 HydrophobicContact CH2-CE 4.45Å; W7-M19 HydrophobicContact CH2-SD 4.26Å; W7-M19 HydrophobicContact CZ2-SD 4.36Å; W7-A21 HydrophobicContact CE3-CB 4.26Å; W7-A21 HydrophobicContact CZ3-CB 4.49Å; W7-A21 WeakPolarHBondContact O-CA 3.41Å; W7-Y22 PolarHBondContact O-N 3.45Å; W7-F26 HydrophobicContact CB-CE2 3.79Å; W7-F26 HydrophobicContact CB-CZ 4.1Å; W7-I30 HydrophobicContact CD2-CD1 4.41Å; W7-I30 HydrophobicContact CD2-CG1 4.48Å; W7-I30 HydrophobicContact CE3-CD1 3.74Å; W7-I30 HydrophobicContact CE3-CG1 3.53Å; W7-I30 HydrophobicContact CH2-CG1 4.5Å; W7-I30 HydrophobicContact CZ3-CD1 4.29Å; W7-I30 HydrophobicContact CZ3-CG1 3.54Å; W7-I46 HydrophobicContact CD2-CD1 3.92Å; W7-I46 HydrophobicContact CD2-CG1 4.36Å; W7-I46 VanDerWaalsContact CE2-CD1 3.45Å; W7-I46 HydrophobicContact CE3-CD1 4.29Å; W7-I46 HydrophobicContact CH2-CD1 3.81Å; W7-I46 HydrophobicContact CZ2-CD1 3.39Å; W7-I46 HydrophobicContact CZ2-CG1 3.98Å; W7-I46 HydrophobicContact CZ3-CD1 4.24Å; W7-N47 PolarHBondContact NE1-O 3Å; W7-L48 HydrophobicContact CZ2-CD2 3.94Å; W7-W75 AromaticContact CH2-CH2 3.61Å; W7-W75 HydrophobicContact CH2-CH2 3.61Å; W7-W75 AromaticContact CH2-CZ3 3.61Å; W7-W75 HydrophobicContact CH2-CZ3 3.61Å; W7-W75 HydrophobicContact CZ2-CZ3 4.36Å; W7-W75 AromaticContact CZ3-CH2 3.99Å; W7-W75 HydrophobicContact CZ3-CH2 3.99Å; W7-W75 HydrophobicContact CZ3-CZ3 4.19Å | ||
| 8 | L | 88.3 | Confident | 88.6 | Confident | 5 Ų | 5 | 74.3 Ų | 74.3 | 3% | 0.026 | 38% | 0.378 | C | S | . | . | B | Isolated β-bridge | trans | -69.2 | 150.3 | -176.1 | -75.5 | 162.9 | 0 | 0 | 0 | 112.4 | M19 Y58 | L8-M19 HydrophobicContact CD2-CB 3.85Å; L8-M19 HydrophobicContact CD2-CG 4.02Å; L8-M19 HydrophobicContact CD2-SD 4.01Å; L8-Y58 HydrophobicContact CB-CD1 3.78Å; L8-Y58 HydrophobicContact CB-CG 4.02Å; L8-Y58 WeakPolarHBondContact O-CD1 3.21Å; L8-Y58 WeakPolarHBondContact O-CE1 3.45Å |
| 9 | A | 87.5 | Confident | 88.6 | Confident | 18 Ų | 18 | 70.9 Ų | 70.9 | 15% | 0.149 | 36% | 0.361 | C | S | . | . | trans | -71.7 | 157.1 | 160.1 | 0 | 0 | 0 | 0 | 0 | 110.3 | K11 T20 P59 | A9-K11 PolarHBondContact O-N 2.82Å; A9-K11 VanDerWaalsContact O-N 3.11Å; A9-T20 VanDerWaalsContact CB-OG1 3.29Å; A9-T20 WeakPolarHBondContact CB-OG1 3.31Å; A9-T20 PolarHBondContact N-O 3.06Å; A9-P59 WeakPolarHBondContact O-CD 3.45Å | ||
| 10 | N | 83.7 | Confident | 88.5 | Confident | 93 Ų | 93 | 69.8 Ų | 69.8 | 50% | 0.497 | 36% | 0.358 | S | S | . | . | S | Bend | trans | -64.3 | -18.4 | -179.4 | -68.3 | -12.1 | 0 | 0 | 0 | 113.6 | Y58 | N10-Y58 VanDerWaalsContact OD1-CE1 3.29Å; N10-Y58 WeakPolarHBondContact OD1-CE1 3.34Å |
| 11 | K | 84.3 | Confident | 88.7 | Confident | 172 Ų | 172 | 67.3 Ų | 67.3 | 75% | 0.748 | 35% | 0.348 | S | S | * | . | S | Bend | trans | -137 | 147.3 | -179.3 | -62.9 | -175.9 | -179.3 | -179.2 | 0 | 110.1 | A9 T20 | A9-K11 PolarHBondContact O-N 2.82Å; A9-K11 VanDerWaalsContact O-N 3.11Å; K11-T20 PolarHBondContact O-OG1 2.98Å |
| 12 | R | 88.8 | Confident | 88.6 | Confident | 35 Ų | 35 | 65 Ų | 65 | 13% | 0.132 | 33% | 0.332 | C | S | . | . | trans | -67.9 | 162.1 | 167.6 | -73.4 | 168.9 | 175.7 | -84 | -3.5 | 110.3 | S14 N17 N18 M19 P59 E60 D68 | R12-S14 PolarHBondContact O-N 2.9Å; R12-N17 VanDerWaalsContact CD-O 3.31Å; R12-N17 WeakPolarHBondContact CD-O 3.41Å; R12-N17 WeakPolarHBondContact CD-OD1 3.49Å; R12-N17 PolarHBondContact NH1-O 2.81Å; R12-N17 VanDerWaalsContact NH1-O 3.11Å; R12-N18 CarbonylContact C-O 3.32Å; R12-N18 WeakPolarHBondContact CA-O 3.48Å; R12-N18 WeakPolarHBondContact CB-O 3.32Å; R12-M19 VanDerWaalsContact NH1-CG 3.35Å; R12-P59 HydrophobicContact CG-CB 3.85Å; R12-P59 HydrophobicContact CG-CG 4.23Å; R12-E60 PolarHBondContact NH2-O 3.14Å; R12-D68 IonicContact CZ-OD1 2.78Å; R12-D68 IonicContact CZ-OD2 3.34Å; R12-D68 IonicContact NH1-OD1 3.29Å; R12-D68 PolarHBondContact NH1-OD1 3.47Å; R12-D68 IonicContact NH1-OD2 3.07Å; R12-D68 IonicContact NH2-OD1 2.87Å; R12-D68 PolarHBondContact NH2-OD1 2.89Å; R12-D68 IonicContact NH2-OD2 2.75Å; R12-D68 PolarHBondContact NH2-OD2 3.25Å | ||
| 13 | D | 88.2 | Confident | 88.5 | Confident | 50 Ų | 50 | 66.7 Ų | 66.7 | 27% | 0.267 | 35% | 0.346 | S | S | . | . | trans | -57 | 131.1 | 170.4 | 175.5 | 74.9 | 0 | 0 | 0 | 110.3 | K15 M16 N17 N18 T20 | D13-K15 VanDerWaalsContact C-N 3.27Å; D13-K15 PolarHBondContact O-N 2.87Å; D13-K15 WeakPolarHBondContact OD2-CA 3.48Å; D13-K15 WeakPolarHBondContact OD2-CB 3.5Å; D13-K15 PolarHBondContact OD2-N 3.23Å; D13-M16 PolarHBondContact OD2-N 3.27Å; D13-N17 WeakPolarHBondContact O-CA 3.45Å; D13-N17 PolarHBondContact O-N 3.19Å; D13-N18 HydrophobicContact CB-CB 4.36Å; D13-N18 PolarHBondContact N-O 3.44Å; D13-T20 HydrophobicContact CB-CG2 3.92Å | ||
| 14 | S | 87.2 | Confident | 88.4 | Confident | 121 Ų | 121 | 70.8 Ų | 70.8 | 85% | 0.846 | 37% | 0.372 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74.2 | -14.8 | -172.3 | 62.2 | 0 | 0 | 0 | 0 | 114.2 | R12 | R12-S14 PolarHBondContact O-N 2.9Š|
| 15 | K | 88 | Confident | 88.5 | Confident | 189 Ų | 189 | 73.1 Ų | 73.1 | 82% | 0.822 | 38% | 0.376 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -96.9 | -48.8 | -176.6 | -66.1 | -176.2 | 178.2 | -177.7 | 0 | 112 | D13 | D13-K15 VanDerWaalsContact C-N 3.27Å; D13-K15 PolarHBondContact O-N 2.87Å; D13-K15 WeakPolarHBondContact OD2-CA 3.48Å; D13-K15 WeakPolarHBondContact OD2-CB 3.5Å; D13-K15 PolarHBondContact OD2-N 3.23Å |
| 16 | M | 86.9 | Confident | 89.1 | Confident | 126 Ų | 126 | 73.8 Ų | 73.8 | 62% | 0.621 | 38% | 0.378 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -104.2 | -5.6 | -175.8 | -63.1 | -170.1 | -72.7 | 0 | 0 | 113.2 | D13 N18 | D13-M16 PolarHBondContact OD2-N 3.27Å; M16-N18 WeakPolarHBondContact CB-ND2 3.48Å; M16-N18 WeakPolarHBondContact CE-ND2 3.37Å; M16-N18 PolarHBondContact O-N 2.87Å; M16-N18 VanDerWaalsContact O-N 3.14Å |
| 17 | N | 87.1 | Confident | 89.5 | Confident | 65 Ų | 65 | 73.3 Ų | 73.3 | 35% | 0.348 | 39% | 0.386 | S | S | . | . | trans | 60.1 | 18.3 | -175.2 | -155.3 | 31.2 | 0 | 0 | 0 | 114.7 | R12 D13 Q64 L67 | R12-N17 VanDerWaalsContact CD-O 3.31Å; R12-N17 WeakPolarHBondContact CD-O 3.41Å; R12-N17 WeakPolarHBondContact CD-OD1 3.49Å; R12-N17 PolarHBondContact NH1-O 2.81Å; R12-N17 VanDerWaalsContact NH1-O 3.11Å; D13-N17 WeakPolarHBondContact O-CA 3.45Å; D13-N17 PolarHBondContact O-N 3.19Å; N17-Q64 PolarHBondContact ND2-NE2 3.01Å; N17-Q64 VanDerWaalsContact ND2-NE2 3.16Å; N17-Q64 PolarHBondContact ND2-OE1 2.88Å; N17-L67 HydrophobicContact CB-CD2 4.23Å; N17-L67 VanDerWaalsContact O-CD2 3.28Å; N17-L67 WeakPolarHBondContact O-CD2 3.36Å | ||
| 18 | N | 88.1 | Confident | 89.8 | Confident | 45 Ų | 45 | 79.6 Ų | 79.6 | 24% | 0.241 | 42% | 0.419 | C | S | . | . | trans | -68.8 | 147.1 | 178.8 | -75.7 | -30.6 | 0 | 0 | 0 | 111.6 | R12 D13 M16 T20 L67 | R12-N18 CarbonylContact C-O 3.32Å; R12-N18 WeakPolarHBondContact CA-O 3.48Å; R12-N18 WeakPolarHBondContact CB-O 3.32Å; D13-N18 HydrophobicContact CB-CB 4.36Å; D13-N18 PolarHBondContact N-O 3.44Å; M16-N18 WeakPolarHBondContact CB-ND2 3.48Å; M16-N18 WeakPolarHBondContact CE-ND2 3.37Å; M16-N18 PolarHBondContact O-N 2.87Å; M16-N18 VanDerWaalsContact O-N 3.14Å; N18-T20 PolarHBondContact O-N 2.9Å; N18-L67 WeakPolarHBondContact OD1-CD1 3.45Å; N18-L67 WeakPolarHBondContact OD1-CG 3.45Å | ||
| 19 | M | 88.6 | Confident | 90.1 | Very high | 9 Ų | 9 | 80.5 Ų | 80.5 | 4% | 0.044 | 43% | 0.43 | C | S | . | . | trans | -60.9 | 135.8 | 164 | -67.6 | -176.3 | -63.7 | 0 | 0 | 110.1 | W7 L8 R12 L48 D68 A71 W75 | W7-M19 HydrophobicContact CH2-CB 4.21Å; W7-M19 HydrophobicContact CH2-CE 4.45Å; W7-M19 HydrophobicContact CH2-SD 4.26Å; W7-M19 HydrophobicContact CZ2-SD 4.36Å; L8-M19 HydrophobicContact CD2-CB 3.85Å; L8-M19 HydrophobicContact CD2-CG 4.02Å; L8-M19 HydrophobicContact CD2-SD 4.01Å; R12-M19 VanDerWaalsContact NH1-CG 3.35Å; M19-L48 HydrophobicContact CE-CD2 3.78Å; M19-L48 HydrophobicContact SD-CD2 3.87Å; M19-D68 HydrophobicContact CE-CB 3.56Å; M19-D68 VanDerWaalsContact CE-CG 3.41Å; M19-D68 WeakPolarHBondContact CE-OD1 3.43Å; M19-D68 WeakPolarHBondContact CG-OD1 3.2Å; M19-D68 HydrophobicContact SD-CB 4.36Å; M19-A71 HydrophobicContact CE-CB 4.35Å; M19-W75 HydrophobicContact CB-CH2 4.23Å; M19-W75 HydrophobicContact CE-CH2 4.13Å; M19-W75 HydrophobicContact CE-CZ3 4.21Å | ||
| 20 | T | 88 | Confident | 90.4 | Very high | 49 Ų | 49 | 79.9 Ų | 79.9 | 30% | 0.301 | 42% | 0.424 | S | S | . | . | trans | -122 | 148.2 | 174.8 | 59.2 | 0 | 0 | 0 | 0 | 109.8 | A9 K11 D13 N18 | A9-T20 VanDerWaalsContact CB-OG1 3.29Å; A9-T20 WeakPolarHBondContact CB-OG1 3.31Å; A9-T20 PolarHBondContact N-O 3.06Å; K11-T20 PolarHBondContact O-OG1 2.98Å; D13-T20 HydrophobicContact CB-CG2 3.92Å; N18-T20 PolarHBondContact O-N 2.9Å | ||
| 21 | A | 92.3 | Very high | 91 | Very high | 18 Ų | 18 | 80.4 Ų | 80.4 | 15% | 0.149 | 42% | 0.422 | C | S | . | . | B | Isolated β-bridge | trans | -78.9 | 155 | 175.1 | 0 | 0 | 0 | 0 | 0 | 110.3 | W7 S23 F26 I30 | W7-A21 HydrophobicContact CE3-CB 4.26Å; W7-A21 HydrophobicContact CZ3-CB 4.49Å; W7-A21 WeakPolarHBondContact O-CA 3.41Å; A21-S23 PolarHBondContact O-N 3.44Å; A21-F26 HydrophobicContact CB-CB 3.64Å; A21-F26 HydrophobicContact CB-CD2 4.25Å; A21-F26 HydrophobicContact CB-CG 4.15Å; A21-I30 HydrophobicContact CB-CD1 4.04Å; A21-I30 HydrophobicContact CB-CG1 3.88Å |
| 22 | Y | 92 | Very high | 91.6 | Very high | 88 Ų | 88 | 74.2 Ų | 74.2 | 35% | 0.345 | 40% | 0.401 | S | S | . | . | trans | -63.9 | 107.2 | 171.5 | -160.6 | -94.3 | 0 | 0 | 0 | 110.2 | W7 T24 R25 F26 | W7-Y22 PolarHBondContact O-N 3.45Å; Y22-T24 VanDerWaalsContact C-N 3.32Å; Y22-T24 VanDerWaalsContact CD1-OG1 3.25Å; Y22-T24 WeakPolarHBondContact CD1-OG1 3.33Å; Y22-T24 WeakPolarHBondContact CE1-OG1 3.43Å; Y22-T24 PolarHBondContact O-N 2.76Å; Y22-R25 HydrophobicContact CD1-CB 4.23Å; Y22-R25 HydrophobicContact CD1-CG 3.93Å; Y22-R25 VanDerWaalsContact CD1-NE 3.25Å; Y22-R25 VanDerWaalsContact CG-NH2 3.3Å; Y22-R25 PolarHBondContact O-N 2.8Å; Y22-F26 PolarHBondContact O-N 3.08Å | ||
| 23 | S | 92.3 | Very high | 92 | Very high | 88 Ų | 88 | 74 Ų | 74 | 62% | 0.615 | 40% | 0.403 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61 | -33.5 | -163.5 | 55.7 | 0 | 0 | 0 | 0 | 114.4 | A21 R25 F26 P27 | A21-S23 PolarHBondContact O-N 3.44Å; S23-R25 VanDerWaalsContact C-N 3.3Å; S23-R25 PolarHBondContact O-N 2.91Å; S23-F26 CarbonylContact O-C 3.43Å; S23-P27 WeakPolarHBondContact O-CA 3.03Å; S23-P27 VanDerWaalsContact O-N 3.08Å |
| 24 | T | 94.1 | Very high | 92.4 | Very high | 109 Ų | 109 | 71.6 Ų | 71.6 | 67% | 0.669 | 39% | 0.39 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73.7 | -22.6 | 178.2 | 63.3 | 0 | 0 | 0 | 0 | 113.1 | Y22 | Y22-T24 VanDerWaalsContact C-N 3.32Å; Y22-T24 VanDerWaalsContact CD1-OG1 3.25Å; Y22-T24 WeakPolarHBondContact CD1-OG1 3.33Å; Y22-T24 WeakPolarHBondContact CE1-OG1 3.43Å; Y22-T24 PolarHBondContact O-N 2.76Å |
| 25 | R | 93.1 | Very high | 92.8 | Very high | 114 Ų | 114 | 72.7 Ų | 72.7 | 43% | 0.43 | 38% | 0.379 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -97.1 | -29.3 | 178.4 | -69.6 | -176 | -70.6 | 142.4 | 0.4 | 112.6 | F6 Y22 S23 P27 | F6-R25 PolarHBondContact O-NH1 3.45Å; F6-R25 PolarHBondContact O-NH2 2.73Å; Y22-R25 HydrophobicContact CD1-CB 4.23Å; Y22-R25 HydrophobicContact CD1-CG 3.93Å; Y22-R25 VanDerWaalsContact CD1-NE 3.25Å; Y22-R25 VanDerWaalsContact CG-NH2 3.3Å; Y22-R25 PolarHBondContact O-N 2.8Å; S23-R25 VanDerWaalsContact C-N 3.3Å; S23-R25 PolarHBondContact O-N 2.91Å; R25-P27 VanDerWaalsContact C-CD 3.44Å |
| 26 | F | 95.8 | Very high | 93.3 | Very high | 45 Ų | 45 | 70.5 Ų | 70.5 | 20% | 0.197 | 37% | 0.367 | C | S | . | . | trans | -127.5 | 65.1 | 177.3 | -62.5 | -85.2 | 0 | 0 | 0 | 110.3 | I3 W7 A21 Y22 S23 N28 G29 I30 V33 | I3-F26 HydrophobicContact CD1-CE1 3.99Å; I3-F26 HydrophobicContact CD1-CZ 4.28Å; W7-F26 HydrophobicContact CB-CE2 3.79Å; W7-F26 HydrophobicContact CB-CZ 4.1Å; A21-F26 HydrophobicContact CB-CB 3.64Å; A21-F26 HydrophobicContact CB-CD2 4.25Å; A21-F26 HydrophobicContact CB-CG 4.15Å; Y22-F26 PolarHBondContact O-N 3.08Å; S23-F26 CarbonylContact O-C 3.43Å; F26-N28 PolarHBondContact O-N 2.85Å; F26-N28 VanDerWaalsContact O-N 3.16Å; F26-G29 WeakPolarHBondContact O-CA 3.28Å; F26-G29 PolarHBondContact O-N 3.03Å; F26-I30 HydrophobicContact CD1-CD1 3.77Å; F26-I30 HydrophobicContact CD2-CD1 4.46Å; F26-I30 HydrophobicContact CE1-CD1 3.99Å; F26-I30 HydrophobicContact CG-CD1 4.02Å; F26-I30 HydrophobicContact CZ-CD1 4.43Å; F26-V33 HydrophobicContact CD1-CG2 4.02Å; F26-V33 HydrophobicContact CE1-CG2 4.29Å | ||
| 27 | P | 95.8 | Very high | 93.8 | Very high | 100 Ų | 100 | 64.9 Ų | 64.9 | 65% | 0.649 | 34% | 0.339 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.9 | -28.9 | -174.9 | 23.7 | -34.5 | 0 | 0 | 0 | 113.1 | S23 R25 | S23-P27 WeakPolarHBondContact O-CA 3.03Å; S23-P27 VanDerWaalsContact O-N 3.08Å; R25-P27 VanDerWaalsContact C-CD 3.44Å |
| 28 | N | 95.7 | Very high | 94.3 | Very high | 132 Ų | 132 | 65.1 Ų | 65.1 | 71% | 0.706 | 34% | 0.339 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -92.7 | 4.2 | 177.6 | -60.4 | -36.5 | 0 | 0 | 0 | 113.2 | F26 S32 | F26-N28 PolarHBondContact O-N 2.85Å; F26-N28 VanDerWaalsContact O-N 3.16Å; N28-S32 WeakPolarHBondContact CB-OG 2.84Å; N28-S32 VanDerWaalsContact O-CB 3.24Å; N28-S32 WeakPolarHBondContact O-CB 3.35Å; N28-S32 PolarHBondContact O-OG 2.88Å; N28-S32 VanDerWaalsContact O-OG 3.05Å |
| 29 | G | 93.9 | Very high | 94.7 | Very high | 25 Ų | 25 | 66.8 Ų | 66.8 | 26% | 0.258 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | 68.7 | 167.2 | -178.6 | 0 | 0 | 0 | 0 | 0 | 115 | F26 K31 S32 | F26-G29 WeakPolarHBondContact O-CA 3.28Å; F26-G29 PolarHBondContact O-N 3.03Å; G29-K31 VanDerWaalsContact C-N 3.33Å; G29-K31 PolarHBondContact O-N 3.1Å; G29-S32 PolarHBondContact O-N 3.43Å; G29-S32 PolarHBondContact O-OG 3.04Å |
| 30 | I | 95.4 | Very high | 95.2 | Very high | 5 Ų | 5 | 72 Ų | 72 | 3% | 0.026 | 38% | 0.376 | C | S | . | . | H | α-helix | trans | -64.5 | -34.1 | -176.3 | -65.3 | -49.3 | 0 | 0 | 0 | 113.2 | I3 W7 A21 F26 S32 V33 G34 F44 I46 W75 | I3-I30 HydrophobicContact CD1-CD1 4.3Å; W7-I30 HydrophobicContact CD2-CD1 4.41Å; W7-I30 HydrophobicContact CD2-CG1 4.48Å; W7-I30 HydrophobicContact CE3-CD1 3.74Å; W7-I30 HydrophobicContact CE3-CG1 3.53Å; W7-I30 HydrophobicContact CH2-CG1 4.5Å; W7-I30 HydrophobicContact CZ3-CD1 4.29Å; W7-I30 HydrophobicContact CZ3-CG1 3.54Å; A21-I30 HydrophobicContact CB-CD1 4.04Å; A21-I30 HydrophobicContact CB-CG1 3.88Å; F26-I30 HydrophobicContact CD1-CD1 3.77Å; F26-I30 HydrophobicContact CD2-CD1 4.46Å; F26-I30 HydrophobicContact CE1-CD1 3.99Å; F26-I30 HydrophobicContact CG-CD1 4.02Å; F26-I30 HydrophobicContact CZ-CD1 4.43Å; I30-S32 PolarHBondContact O-N 2.92Å; I30-V33 WeakPolarHBondContact O-CB 3.42Å; I30-V33 PolarHBondContact O-N 3.2Å; I30-G34 PolarHBondContact O-N 3.03Å; I30-F44 HydrophobicContact CG2-CE1 3.58Å; I30-F44 HydrophobicContact CG2-CZ 3.66Å; I30-I46 HydrophobicContact CG2-CD1 3.98Å; I30-W75 HydrophobicContact CB-CD2 3.99Å; I30-W75 HydrophobicContact CB-CE3 4.17Å; I30-W75 HydrophobicContact CB-CG 4.43Å; I30-W75 HydrophobicContact CB-CZ2 4.47Å; I30-W75 HydrophobicContact CB-CZ3 4.48Å; I30-W75 HydrophobicContact CG2-CB 4.27Å; I30-W75 HydrophobicContact CG2-CD2 3.63Å; I30-W75 HydrophobicContact CG2-CE3 3.55Å; I30-W75 HydrophobicContact CG2-CG 3.96Å; I30-W75 HydrophobicContact CG2-CZ3 4.17Å |
| 31 | K | 95.3 | Very high | 95.6 | Very high | 104 Ų | 104 | 77.2 Ų | 77.2 | 45% | 0.452 | 40% | 0.402 | S | S | . | . | H | α-helix | trans | -57.1 | -36.1 | 177.1 | -167.3 | 168 | -175.7 | 166.9 | 0 | 112.3 | G29 G34 K35 D74 W75 | G29-K31 VanDerWaalsContact C-N 3.33Å; G29-K31 PolarHBondContact O-N 3.1Å; K31-G34 PolarHBondContact O-N 3Å; K31-K35 WeakPolarHBondContact O-CG 3.38Å; K31-K35 PolarHBondContact O-N 2.96Å; K31-D74 VanDerWaalsContact CE-O 3.25Å; K31-D74 WeakPolarHBondContact CE-O 3.36Å; K31-W75 HydrophobicContact CB-CG 4.45Å |
| 32 | S | 96.9 | Very high | 95.8 | Very high | 42 Ų | 42 | 80.7 Ų | 80.7 | 29% | 0.294 | 42% | 0.418 | S | S | . | . | H | α-helix | trans | -66.8 | -37.5 | 176.9 | 72.9 | 0 | 0 | 0 | 0 | 112.1 | N28 G29 I30 K35 Y36 | N28-S32 WeakPolarHBondContact CB-OG 2.84Å; N28-S32 VanDerWaalsContact O-CB 3.24Å; N28-S32 WeakPolarHBondContact O-CB 3.35Å; N28-S32 PolarHBondContact O-OG 2.88Å; N28-S32 VanDerWaalsContact O-OG 3.05Å; G29-S32 PolarHBondContact O-N 3.43Å; G29-S32 PolarHBondContact O-OG 3.04Å; I30-S32 PolarHBondContact O-N 2.92Å; S32-K35 PolarHBondContact O-N 3.43Å; S32-Y36 WeakPolarHBondContact O-CB 3.36Å; S32-Y36 PolarHBondContact O-N 3.4Å |
| 33 | V | 96.9 | Very high | 96 | Very high | 30 Ų | 30 | 82.2 Ų | 82.2 | 18% | 0.182 | 43% | 0.431 | C | S | . | . | H | α-helix | trans | -64.3 | -46.9 | 175.9 | -176.9 | 0 | 0 | 0 | 0 | 110.5 | I3 F26 I30 K35 Y36 L37 F44 | I3-V33 HydrophobicContact CD1-CG1 4.2Å; F26-V33 HydrophobicContact CD1-CG2 4.02Å; F26-V33 HydrophobicContact CE1-CG2 4.29Å; I30-V33 WeakPolarHBondContact O-CB 3.42Å; I30-V33 PolarHBondContact O-N 3.2Å; V33-K35 PolarHBondContact O-N 3Å; V33-Y36 PolarHBondContact O-N 2.48Å; V33-L37 HydrophobicContact CG1-CD1 4.04Å; V33-L37 HydrophobicContact CG1-CG 4.42Å; V33-L37 WeakPolarHBondContact O-CG 3.42Å; V33-L37 PolarHBondContact O-N 2.89Å; V33-F44 HydrophobicContact CG1-CE2 4.38Å |
| 34 | G | 96.6 | Very high | 96.2 | Very high | 0 Ų | 0 | 78.1 Ų | 78.1 | 0% | 0 | 40% | 0.402 | C | S | . | . | H | α-helix | trans | -57.3 | -48.3 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | I30 K31 Y36 L37 H38 | I30-G34 PolarHBondContact O-N 3.03Å; K31-G34 PolarHBondContact O-N 3Å; G34-Y36 VanDerWaalsContact C-N 3.34Å; G34-Y36 PolarHBondContact O-N 2.85Å; G34-L37 PolarHBondContact O-N 3.01Å; G34-H38 VanDerWaalsContact O-CG 3.24Å; G34-H38 PolarHBondContact O-N 2.68Å; G34-H38 PolarHBondContact O-ND1 3.36Å |
| 35 | K | 97.3 | Very high | 96.3 | Very high | 143 Ų | 143 | 73 Ų | 73 | 62% | 0.622 | 37% | 0.371 | S | S | * | . | H | α-helix | trans | -57.3 | -44.9 | 174.9 | -76.1 | -177.8 | 175.7 | -172.9 | 0 | 112.5 | K31 S32 V33 H38 S39 | K31-K35 WeakPolarHBondContact O-CG 3.38Å; K31-K35 PolarHBondContact O-N 2.96Å; S32-K35 PolarHBondContact O-N 3.43Å; V33-K35 PolarHBondContact O-N 3Å; K35-H38 PolarHBondContact O-N 3.43Å; K35-S39 PolarHBondContact O-N 3.29Å |
| 36 | Y | 97.9 | Very high | 96.3 | Very high | 144 Ų | 144 | 67.5 Ų | 67.5 | 57% | 0.565 | 35% | 0.35 | S | S | * | . | H | α-helix | trans | -62.5 | -47.6 | 178.7 | 179.9 | -99.2 | 0 | 0 | 0 | 111.6 | S32 V33 G34 H38 S39 K40 | S32-Y36 WeakPolarHBondContact O-CB 3.36Å; S32-Y36 PolarHBondContact O-N 3.4Å; V33-Y36 PolarHBondContact O-N 2.48Å; G34-Y36 VanDerWaalsContact C-N 3.34Å; G34-Y36 PolarHBondContact O-N 2.85Å; Y36-H38 PolarHBondContact O-N 2.85Å; Y36-S39 WeakPolarHBondContact O-CB 3.11Å; Y36-S39 PolarHBondContact O-N 3.39Å; Y36-S39 PolarHBondContact O-OG 3.08Å; Y36-K40 HydrophobicContact CE1-CG 4.38Å; Y36-K40 PolarHBondContact O-N 2.63Å |
| 37 | L | 97.5 | Very high | 96.1 | Very high | 7 Ų | 7 | 65.5 Ų | 65.5 | 4% | 0.037 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -60.9 | -44.5 | 178.3 | -70.3 | 172.3 | 0 | 0 | 0 | 112 | M1 V33 G34 S39 K40 N41 L42 F44 | M1-L37 HydrophobicContact CB-CD1 4.05Å; M1-L37 HydrophobicContact CB-CD2 4Å; M1-L37 HydrophobicContact CG-CD1 4.49Å; M1-L37 HydrophobicContact SD-CD1 4.34Å; M1-L37 HydrophobicContact SD-CD2 3.76Å; V33-L37 HydrophobicContact CG1-CD1 4.04Å; V33-L37 HydrophobicContact CG1-CG 4.42Å; V33-L37 WeakPolarHBondContact O-CG 3.42Å; V33-L37 PolarHBondContact O-N 2.89Å; G34-L37 PolarHBondContact O-N 3.01Å; L37-S39 VanDerWaalsContact C-N 3.31Å; L37-S39 PolarHBondContact O-N 3.13Å; L37-K40 CarbonylContact O-C 3.44Å; L37-K40 WeakPolarHBondContact O-CA 3.41Å; L37-K40 PolarHBondContact O-N 2.93Å; L37-N41 PolarHBondContact O-N 3.17Å; L37-L42 CarbonylContact C-O 3.6Å; L37-L42 HydrophobicContact CB-CB 4.32Å; L37-L42 HydrophobicContact CD2-CB 4.33Å; L37-L42 HydrophobicContact CD2-CD1 4.04Å; L37-L42 PolarHBondContact O-N 3.1Å; L37-F44 HydrophobicContact CD1-CB 3.83Å; L37-F44 HydrophobicContact CD1-CD2 3.36Å; L37-F44 HydrophobicContact CD1-CE2 4.16Å; L37-F44 HydrophobicContact CD1-CG 3.75Å |
| 38 | H | 96.7 | Very high | 95.6 | Very high | 71 Ų | 71 | 60.8 Ų | 60.8 | 33% | 0.329 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -63.1 | -36.8 | 176 | -62.6 | 142.8 | 0 | 0 | 0 | 112.4 | G34 K35 Y36 K40 N41 L42 G76 | G34-H38 VanDerWaalsContact O-CG 3.24Å; G34-H38 PolarHBondContact O-N 2.68Å; G34-H38 PolarHBondContact O-ND1 3.36Å; K35-H38 PolarHBondContact O-N 3.43Å; Y36-H38 PolarHBondContact O-N 2.85Å; H38-K40 PolarHBondContact O-N 3.38Å; H38-K40 VanDerWaalsContact O-N 3.11Å; H38-N41 PolarHBondContact O-N 2.91Å; H38-L42 PolarHBondContact CD2-O 3.16Å; H38-L42 VanDerWaalsContact CD2-O 3.29Å; H38-G76 PolarHBondContact CE1-O 3Å; H38-G76 PolarHBondContact NE2-O 3.46Å |
| 39 | S | 97.8 | Very high | 94.7 | Very high | 80 Ų | 80 | 54.9 Ų | 54.9 | 56% | 0.559 | 28% | 0.281 | S | S | * | . | H | α-helix | trans | -62.5 | -16.8 | 173.7 | 81.7 | 0 | 0 | 0 | 0 | 113.7 | K35 Y36 L37 | K35-S39 PolarHBondContact O-N 3.29Å; Y36-S39 WeakPolarHBondContact O-CB 3.11Å; Y36-S39 PolarHBondContact O-N 3.39Å; Y36-S39 PolarHBondContact O-OG 3.08Å; L37-S39 VanDerWaalsContact C-N 3.31Å; L37-S39 PolarHBondContact O-N 3.13Å |
| 40 | K | 97.8 | Very high | 93.3 | Very high | 118 Ų | 118 | 53.8 Ų | 53.8 | 51% | 0.513 | 27% | 0.269 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -103.4 | 13.8 | 175 | -57.7 | -58.1 | -178.1 | -176.4 | 0 | 112.9 | Y36 L37 H38 L42 | Y36-K40 HydrophobicContact CE1-CG 4.38Å; Y36-K40 PolarHBondContact O-N 2.63Å; L37-K40 CarbonylContact O-C 3.44Å; L37-K40 WeakPolarHBondContact O-CA 3.41Å; L37-K40 PolarHBondContact O-N 2.93Å; H38-K40 PolarHBondContact O-N 3.38Å; H38-K40 VanDerWaalsContact O-N 3.11Å; K40-L42 HydrophobicContact CB-CD1 4.3Å; K40-L42 HydrophobicContact CB-CG 4.28Å; K40-L42 PolarHBondContact O-N 2.77Å |
| 41 | N | 96.6 | Very high | 91.6 | Very high | 159 Ų | 159 | 53.5 Ų | 53.5 | 85% | 0.85 | 27% | 0.268 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 56.6 | 30.1 | -175.1 | -60.1 | -41.1 | 0 | 0 | 0 | 113.6 | L37 H38 | L37-N41 PolarHBondContact O-N 3.17Å; H38-N41 PolarHBondContact O-N 2.91Å |
| 42 | L | 96.9 | Very high | 89.5 | Confident | 90 Ų | 90 | 52.6 Ų | 52.6 | 47% | 0.471 | 28% | 0.28 | S | S | . | . | trans | -104.4 | 144.5 | 176.1 | -63.3 | 176.3 | 0 | 0 | 0 | 110.6 | L37 H38 K40 | L37-L42 CarbonylContact C-O 3.6Å; L37-L42 HydrophobicContact CB-CB 4.32Å; L37-L42 HydrophobicContact CD2-CB 4.33Å; L37-L42 HydrophobicContact CD2-CD1 4.04Å; L37-L42 PolarHBondContact O-N 3.1Å; H38-L42 PolarHBondContact CD2-O 3.16Å; H38-L42 VanDerWaalsContact CD2-O 3.29Å; K40-L42 HydrophobicContact CB-CD1 4.3Å; K40-L42 HydrophobicContact CB-CG 4.28Å; K40-L42 PolarHBondContact O-N 2.77Å | ||
| 43 | L | 95.7 | Very high | 87.5 | Confident | 121 Ų | 121 | 54.4 Ų | 54.4 | 63% | 0.634 | 29% | 0.289 | S | S | * | . | trans | -80.8 | 147.2 | 171.3 | -60.3 | -178.4 | 0 | 0 | 0 | 111.1 | M1 V78 | M1-L43 PolarHBondContact N-O 2.8Å; L43-V78 HydrophobicContact CB-CG2 3.7Å; L43-V78 HydrophobicContact CD1-CG2 4.2Å; L43-V78 HydrophobicContact CD2-CG2 4.07Å; L43-V78 HydrophobicContact CG-CG2 4.19Å | ||
| 44 | F | 96.7 | Very high | 85.7 | Confident | 1 Ų | 1 | 58 Ų | 58 | 0% | 0.004 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110 | 132.3 | -179.4 | -177.4 | -144.7 | 0 | 0 | 0 | 112.2 | I3 I30 V33 L37 I46 V77 V78 F79 | I3-F44 HydrophobicContact CD1-CE2 3.71Å; I3-F44 HydrophobicContact CD1-CZ 3.9Å; I3-F44 HydrophobicContact CG1-CE2 3.96Å; I30-F44 HydrophobicContact CG2-CE1 3.58Å; I30-F44 HydrophobicContact CG2-CZ 3.66Å; V33-F44 HydrophobicContact CG1-CE2 4.38Å; L37-F44 HydrophobicContact CD1-CB 3.83Å; L37-F44 HydrophobicContact CD1-CD2 3.36Å; L37-F44 HydrophobicContact CD1-CE2 4.16Å; L37-F44 HydrophobicContact CD1-CG 3.75Å; F44-I46 HydrophobicContact CZ-CD1 4.37Å; F44-V77 HydrophobicContact CD1-CB 4.45Å; F44-V77 HydrophobicContact CD1-CG2 3.43Å; F44-V77 VanDerWaalsContact CD1-CG2 3.43Å; F44-V77 HydrophobicContact CE1-CG2 3.42Å; F44-V77 VanDerWaalsContact CE1-CG2 3.42Å; F44-V77 HydrophobicContact CG-CG2 4.22Å; F44-V77 HydrophobicContact CZ-CG2 4.19Å; F44-V77 WeakPolarHBondContact O-CA 3.44Å; F44-V78 PolarHBondContact O-N 2.97Å; F44-F79 PolarHBondContact O-N 2.8Å |
| 45 | G | 96 | Very high | 84 | Confident | 1 Ų | 1 | 59.8 Ų | 59.8 | 1% | 0.01 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.8 | 156.7 | 173.2 | 0 | 0 | 0 | 0 | 0 | 113 | M1 V2 I3 F79 | M1-G45 PolarHBondContact O-N 3.48Å; V2-G45 WeakPolarHBondContact CA-O 3.16Å; I3-G45 PolarHBondContact N-O 3.44Å; G45-F79 CarbonylContact C-O 3.32Å; G45-F79 WeakPolarHBondContact CA-O 3.03Å |
| 46 | I | 93.6 | Very high | 82.2 | Confident | 0 Ų | 0 | 54.5 Ų | 54.5 | 0% | 0 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.7 | 150.7 | -179.4 | -155.2 | 165.6 | 0 | 0 | 0 | 111.5 | I3 W7 I30 F44 L48 V72 W75 V77 F79 V80 K81 | I3-I46 HydrophobicContact CB-CG1 4.46Å; I3-I46 CarbonylContact O-C 3.57Å; I3-I46 WeakPolarHBondContact O-CA 3.46Å; W7-I46 HydrophobicContact CD2-CD1 3.92Å; W7-I46 HydrophobicContact CD2-CG1 4.36Å; W7-I46 VanDerWaalsContact CE2-CD1 3.45Å; W7-I46 HydrophobicContact CE3-CD1 4.29Å; W7-I46 HydrophobicContact CH2-CD1 3.81Å; W7-I46 HydrophobicContact CZ2-CD1 3.39Å; W7-I46 HydrophobicContact CZ2-CG1 3.98Å; W7-I46 HydrophobicContact CZ3-CD1 4.24Å; I30-I46 HydrophobicContact CG2-CD1 3.98Å; F44-I46 HydrophobicContact CZ-CD1 4.37Å; I46-L48 HydrophobicContact CG2-CD2 4.12Å; I46-L48 HydrophobicContact CG2-CG 4.21Å; I46-V72 HydrophobicContact CG2-CG2 4.48Å; I46-W75 HydrophobicContact CD1-CE3 4.18Å; I46-W75 HydrophobicContact CD1-CZ3 3.99Å; I46-V77 HydrophobicContact CB-CG1 4.45Å; I46-V77 HydrophobicContact CB-CG2 4.29Å; I46-V77 HydrophobicContact CG2-CG1 3.91Å; I46-V77 HydrophobicContact CG2-CG2 4.12Å; I46-F79 PolarHBondContact N-O 3.46Å; I46-V80 HydrophobicContact CG2-CG2 4.42Å; I46-V80 VanDerWaalsContact O-CA 3.31Å; I46-V80 WeakPolarHBondContact O-CA 3.24Å; I46-K81 PolarHBondContact O-N 2.86Å |
| 47 | N | 90.5 | Very high | 80.4 | Confident | 3 Ų | 3 | 49.3 Ų | 49.3 | 2% | 0.016 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.8 | 131.2 | 169.2 | -178.7 | 76 | 0 | 0 | 0 | 110.5 | I3 W7 K81 | I3-N47 PolarHBondContact O-N 2.86Å; W7-N47 PolarHBondContact NE1-O 3Å; N47-K81 CarbonylContact C-O 3.58Å; N47-K81 WeakPolarHBondContact CA-O 3.28Å; N47-K81 HydrophobicContact CB-CB 4.33Å; N47-K81 HydrophobicContact CB-CD 4.47Å; N47-K81 VanDerWaalsContact OD1-CD 3.31Å; N47-K81 WeakPolarHBondContact OD1-CD 3.48Å; N47-K81 VanDerWaalsContact OD1-CG 3.32Å; N47-K81 WeakPolarHBondContact OD1-CG 3.29Å; N47-K81 PolarHBondContact OD1-O 3.03Å |
| 48 | L | 85.9 | Confident | 78.7 | Confident | 1 Ų | 1 | 50.3 Ų | 50.3 | 1% | 0.005 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.2 | 143.4 | 169.8 | -57.4 | -178 | 0 | 0 | 0 | 109 | W7 M19 I46 V72 V80 K81 L82 H83 | W7-L48 HydrophobicContact CZ2-CD2 3.94Å; M19-L48 HydrophobicContact CE-CD2 3.78Å; M19-L48 HydrophobicContact SD-CD2 3.87Å; I46-L48 HydrophobicContact CG2-CD2 4.12Å; I46-L48 HydrophobicContact CG2-CG 4.21Å; L48-V72 HydrophobicContact CD1-CG2 3.86Å; L48-V80 HydrophobicContact CB-CG1 4.24Å; L48-V80 HydrophobicContact CD1-CG1 3.85Å; L48-V80 HydrophobicContact CG-CG1 3.91Å; L48-K81 PolarHBondContact N-O 3.3Å; L48-L82 HydrophobicContact CB-CD2 4.17Å; L48-L82 WeakPolarHBondContact O-CA 3.36Å; L48-H83 PolarHBondContact O-N 2.88Å |
| 49 | G | 76.4 | Confident | 77.1 | Confident | 8 Ų | 8 | 47.8 Ų | 47.8 | 8% | 0.082 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.1 | 146 | 173.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | E60 S61 | G49-E60 WeakPolarHBondContact CA-OE2 3.49Å; G49-S61 WeakPolarHBondContact O-CB 3.4Å; G49-S61 PolarHBondContact O-N 2.94Å |
| 50 | N | 64.9 | Low | 75.7 | Confident | 1 Ų | 1 | 45.1 Ų | 45.1 | 1% | 0.005 | 26% | 0.258 | C | S | . | . | trans | -112.5 | 0.3 | -178.1 | 77.9 | 3.3 | 0 | 0 | 0 | 115.9 | E60 I62 H83 A84 C87 F92 F95 | N50-E60 PolarHBondContact N-OE2 2.87Å; N50-I62 WeakPolarHBondContact O-CB 3.13Å; N50-I62 VanDerWaalsContact O-CD1 3.31Å; N50-I62 WeakPolarHBondContact O-CD1 3.3Å; N50-H83 WeakPolarHBondContact CB-O 3.38Å; N50-H83 PolarHBondContact N-O 3.2Å; N50-H83 PolarHBondContact OD1-O 3.38Å; N50-A84 VanDerWaalsContact CG-CA 3.45Å; N50-A84 VanDerWaalsContact ND2-CA 3.28Å; N50-A84 WeakPolarHBondContact ND2-CA 3.36Å; N50-A84 WeakPolarHBondContact ND2-CB 3.33Å; N50-A84 WeakPolarHBondContact OD1-CA 3.28Å; N50-C87 PolarHBondContact ND2-SG 2.99Å; N50-C87 PolarHBondContact O-SG 2.87Å; N50-C87 VanDerWaalsContact O-SG 3.4Å; N50-C87 PolarHBondContact OD1-SG 2.9Å; N50-F92 WeakPolarHBondContact ND2-CE1 3.42Å; N50-F95 HydrophobicContact CB-CE1 4.11Å; N50-F95 HydrophobicContact CB-CE2 3.62Å; N50-F95 HydrophobicContact CB-CZ 3.24Å | ||
| 51 | G | 59.4 | Low | 74.4 | Confident | 0 Ų | 0 | 39.6 Ų | 39.6 | 0% | 0 | 23% | 0.234 | C | C | . | . | trans | -80.1 | 155 | -170.7 | 0 | 0 | 0 | 0 | 0 | 113 | E60 C85 | G51-E60 PolarHBondContact N-OE2 2.99Å; G51-E60 WeakPolarHBondContact O-CB 3.46Å; G51-E60 WeakPolarHBondContact O-CG 3.32Å; G51-C85 WeakPolarHBondContact CA-O 3.41Å | ||
| 52 | A | 51.6 | Low | 73 | Confident | 84 Ų | 84 | 32.6 Ų | 32.6 | 69% | 0.694 | 20% | 0.196 | S | C | * | . | S | Bend | trans | -70.1 | -29.1 | 158.6 | 0 | 0 | 0 | 0 | 0 | 110.8 | ||
| 53 | T | 54.6 | Low | 71.8 | Confident | 80 Ų | 80 | 34.3 Ų | 34.3 | 49% | 0.491 | 21% | 0.206 | S | C | . | . | S | Bend | trans | -112 | 143.9 | 175.4 | 19.3 | 0 | 0 | 0 | 0 | 110.5 | H86 | T53-H86 WeakPolarHBondContact OG1-CB 3.48Å; T53-H86 PolarHBondContact OG1-CD2 3.01Å; T53-H86 VanDerWaalsContact OG1-CG 3.27Å |
| 54 | K | 60.2 | Low | 71 | Confident | 106 Ų | 106 | 31.4 Ų | 31.4 | 46% | 0.461 | 19% | 0.189 | S | C | . | . | trans | -75.6 | 126.4 | -167.2 | -43.3 | -173.6 | 175.6 | -177.7 | 0 | 110.6 | S56 G57 Y58 E60 | K54-S56 PolarHBondContact O-N 2.97Å; K54-G57 VanDerWaalsContact CD-CA 3.45Å; K54-G57 WeakPolarHBondContact CD-O 3.48Å; K54-G57 WeakPolarHBondContact CE-O 3.11Å; K54-G57 PolarHBondContact NZ-O 2.81Å; K54-Y58 VanDerWaalsContact CD-O 3.32Å; K54-Y58 WeakPolarHBondContact CD-O 3.19Å; K54-Y58 WeakPolarHBondContact CG-O 3.36Å; K54-E60 WeakPolarHBondContact CA-OE1 3.38Å | ||
| 55 | C | 60.8 | Low | 70.1 | Confident | 38 Ų | 38 | 32.2 Ų | 32.2 | 26% | 0.257 | 19% | 0.193 | S | C | . | . | S | Bend | trans | -59.7 | -41.4 | 169.1 | -67.7 | 0 | 0 | 0 | 0 | 111.7 | E60 H83 C85 | C55-E60 PolarHBondContact N-OE1 3.46Å; C55-H83 WeakPolarHBondContact CB-ND1 3.45Å; C55-H83 PolarHBondContact SG-CE1 2.98Å; C55-H83 PolarHBondContact SG-ND1 3.24Å; C55-C85 VanDerWaalsContact CA-SG 3.51Å; C55-C85 HydrophobicContact CB-CB 3.98Å; C55-C85 WeakPolarHBondContact CB-SG 3.34Å; C55-C85 WeakPolarHBondContact SG-CB 3.49Å; C55-C85 CovalentContact SG-SG 2Å; C55-C85 PolarHBondContact SG-SG 2.97Å |
| 56 | S | 59.3 | Low | 69.2 | Low | 32 Ų | 32 | 39.6 Ų | 39.6 | 22% | 0.224 | 23% | 0.228 | C | C | . | . | S | Bend | trans | -132.2 | 7.2 | -165.1 | 44.5 | 0 | 0 | 0 | 0 | 112.9 | D5 K54 Y58 | D5-S56 VanDerWaalsContact CG-OG 3.27Å; D5-S56 PolarHBondContact OD1-OG 3.29Å; D5-S56 WeakPolarHBondContact OD2-CB 3.36Å; D5-S56 PolarHBondContact OD2-OG 2.89Å; K54-S56 PolarHBondContact O-N 2.97Å; S56-Y58 WeakPolarHBondContact O-CE2 3.18Å; S56-Y58 WeakPolarHBondContact OG-CD2 3.18Å |
| 57 | G | 59.4 | Low | 68.8 | Low | 34 Ų | 34 | 41.9 Ų | 41.9 | 35% | 0.351 | 24% | 0.24 | S | C | . | . | S | Bend | trans | 90.8 | 4.6 | -179.7 | 0 | 0 | 0 | 0 | 0 | 115.5 | K54 | K54-G57 VanDerWaalsContact CD-CA 3.45Å; K54-G57 WeakPolarHBondContact CD-O 3.48Å; K54-G57 WeakPolarHBondContact CE-O 3.11Å; K54-G57 PolarHBondContact NZ-O 2.81Å |
| 58 | Y | 62 | Low | 68.7 | Low | 29 Ų | 29 | 41.8 Ų | 41.8 | 11% | 0.114 | 24% | 0.239 | C | C | . | . | S | Bend | trans | -98.3 | 161 | 179.1 | -61.1 | -77.4 | 0 | 0 | 0 | 115.1 | F6 L8 N10 K54 S56 E60 | F6-Y58 HydrophobicContact CB-CE2 4.44Å; F6-Y58 AromaticContact CD1-CE2 3.46Å; F6-Y58 HydrophobicContact CD1-CE2 3.46Å; F6-Y58 VanDerWaalsContact CD1-CE2 3.46Å; F6-Y58 AromaticContact CD1-CZ 3.9Å; F6-Y58 AromaticContact CE1-CE2 3.95Å; F6-Y58 HydrophobicContact CE1-CE2 3.95Å; F6-Y58 HydrophobicContact CG-CE2 4.22Å; L8-Y58 HydrophobicContact CB-CD1 3.78Å; L8-Y58 HydrophobicContact CB-CG 4.02Å; L8-Y58 WeakPolarHBondContact O-CD1 3.21Å; L8-Y58 WeakPolarHBondContact O-CE1 3.45Å; N10-Y58 VanDerWaalsContact OD1-CE1 3.29Å; N10-Y58 WeakPolarHBondContact OD1-CE1 3.34Å; K54-Y58 VanDerWaalsContact CD-O 3.32Å; K54-Y58 WeakPolarHBondContact CD-O 3.19Å; K54-Y58 WeakPolarHBondContact CG-O 3.36Å; S56-Y58 WeakPolarHBondContact O-CE2 3.18Å; S56-Y58 WeakPolarHBondContact OG-CD2 3.18Å; Y58-E60 PolarHBondContact O-N 2.93Å |
| 59 | P | 62.3 | Low | 68.5 | Low | 18 Ų | 18 | 41.8 Ų | 41.8 | 12% | 0.117 | 24% | 0.239 | C | C | . | . | P | Polyproline II helix | trans | -60.4 | 130.6 | 175.2 | -21.5 | 33 | 0 | 0 | 0 | 112.2 | A9 R12 | A9-P59 WeakPolarHBondContact O-CD 3.45Å; R12-P59 HydrophobicContact CG-CB 3.85Å; R12-P59 HydrophobicContact CG-CG 4.23Å |
| 60 | E | 69.7 | Low | 69 | Low | 24 Ų | 24 | 47 Ų | 47 | 11% | 0.112 | 26% | 0.26 | C | S | . | . | P | Polyproline II helix | trans | -97.6 | 162.3 | -177.9 | -58.4 | -78.6 | 153.9 | 0 | 0 | 111.1 | R12 G49 N50 G51 K54 C55 Y58 | R12-E60 PolarHBondContact NH2-O 3.14Å; G49-E60 WeakPolarHBondContact CA-OE2 3.49Å; N50-E60 PolarHBondContact N-OE2 2.87Å; G51-E60 PolarHBondContact N-OE2 2.99Å; G51-E60 WeakPolarHBondContact O-CB 3.46Å; G51-E60 WeakPolarHBondContact O-CG 3.32Å; K54-E60 WeakPolarHBondContact CA-OE1 3.38Å; C55-E60 PolarHBondContact N-OE1 3.46Å; Y58-E60 PolarHBondContact O-N 2.93Å |
| 61 | S | 69.2 | Low | 70.1 | Confident | 1 Ų | 1 | 47.5 Ų | 47.5 | 1% | 0.007 | 26% | 0.264 | C | S | . | . | S | Bend | trans | -92.4 | -14.4 | -170.9 | -65.4 | 0 | 0 | 0 | 0 | 115.5 | G49 N63 Q64 L65 D68 | G49-S61 WeakPolarHBondContact O-CB 3.4Å; G49-S61 PolarHBondContact O-N 2.94Å; S61-N63 PolarHBondContact O-N 2.9Å; S61-Q64 CarbonylContact O-C 3.55Å; S61-Q64 WeakPolarHBondContact O-CA 3.25Å; S61-Q64 PolarHBondContact O-N 3.41Å; S61-L65 WeakPolarHBondContact O-CD2 3.14Å; S61-L65 VanDerWaalsContact O-CG 3.28Å; S61-L65 WeakPolarHBondContact O-CG 3.41Å; S61-L65 PolarHBondContact O-N 2.88Å; S61-D68 WeakPolarHBondContact CA-OD2 3.27Å; S61-D68 WeakPolarHBondContact CB-OD2 3.32Å; S61-D68 PolarHBondContact OG-OD2 3.13Å |
| 62 | I | 67.3 | Low | 71.6 | Confident | 13 Ų | 13 | 47.5 Ų | 47.5 | 7% | 0.067 | 26% | 0.264 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -52.1 | -33.5 | -165.2 | -164.8 | 164.3 | 0 | 0 | 0 | 116.1 | N50 D91 | N50-I62 WeakPolarHBondContact O-CB 3.13Å; N50-I62 VanDerWaalsContact O-CD1 3.31Å; N50-I62 WeakPolarHBondContact O-CD1 3.3Å; I62-D91 HydrophobicContact CD1-CB 3.65Å; I62-D91 WeakPolarHBondContact CD1-OD1 3.4Å; I62-D91 WeakPolarHBondContact CD1-OD2 3.38Å; I62-D91 HydrophobicContact CG1-CB 4.25Å |
| 63 | N | 72 | Confident | 73.3 | Confident | 125 Ų | 125 | 44.8 Ų | 44.8 | 67% | 0.668 | 24% | 0.239 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -102.1 | 0.4 | -179.9 | -66.6 | -27.1 | 0 | 0 | 0 | 113.2 | S61 | S61-N63 PolarHBondContact O-N 2.9Š|
| 64 | Q | 79.1 | Confident | 75 | Confident | 61 Ų | 61 | 44.5 Ų | 44.5 | 29% | 0.285 | 23% | 0.234 | S | C | . | . | trans | -134 | 25.6 | -173.8 | -59.6 | -61.1 | -47.3 | 0 | 0 | 111.2 | N17 S61 E66 L67 D68 | N17-Q64 PolarHBondContact ND2-NE2 3.01Å; N17-Q64 VanDerWaalsContact ND2-NE2 3.16Å; N17-Q64 PolarHBondContact ND2-OE1 2.88Å; S61-Q64 CarbonylContact O-C 3.55Å; S61-Q64 WeakPolarHBondContact O-CA 3.25Å; S61-Q64 PolarHBondContact O-N 3.41Å; Q64-E66 VanDerWaalsContact C-N 3.34Å; Q64-E66 PolarHBondContact O-N 2.81Å; Q64-L67 HydrophobicContact CB-CB 4.43Å; Q64-L67 WeakPolarHBondContact O-CB 3.4Å; Q64-L67 PolarHBondContact O-N 2.9Å; Q64-L67 VanDerWaalsContact O-N 3.14Å; Q64-D68 WeakPolarHBondContact O-CB 3.42Å; Q64-D68 VanDerWaalsContact O-CG 3.28Å; Q64-D68 PolarHBondContact O-N 2.62Å | ||
| 65 | L | 77.7 | Confident | 76.6 | Confident | 18 Ų | 18 | 41.1 Ų | 41.1 | 9% | 0.094 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -60.8 | -39.3 | -170.2 | -71.8 | 170.6 | 0 | 0 | 0 | 113.7 | S61 D68 A69 K94 F95 | S61-L65 WeakPolarHBondContact O-CD2 3.14Å; S61-L65 VanDerWaalsContact O-CG 3.28Å; S61-L65 WeakPolarHBondContact O-CG 3.41Å; S61-L65 PolarHBondContact O-N 2.88Å; L65-D68 PolarHBondContact O-N 3.22Å; L65-A69 WeakPolarHBondContact O-CB 3.22Å; L65-A69 PolarHBondContact O-N 2.95Å; L65-K94 HydrophobicContact CD1-CB 3.24Å; L65-K94 HydrophobicContact CD1-CD 4.16Å; L65-K94 HydrophobicContact CD1-CG 4.34Å; L65-F95 HydrophobicContact CD1-CD2 4.43Å; L65-F95 HydrophobicContact CD1-CE1 4.42Å; L65-F95 HydrophobicContact CD1-CE2 4.26Å; L65-F95 HydrophobicContact CD1-CZ 4.24Å; L65-F95 HydrophobicContact CD2-CD1 3.65Å; L65-F95 HydrophobicContact CD2-CE1 3.11Å; L65-F95 HydrophobicContact CD2-CE2 4.25Å; L65-F95 HydrophobicContact CD2-CG 4.41Å; L65-F95 HydrophobicContact CD2-CZ 3.44Å; L65-F95 VanDerWaalsContact CD2-CZ 3.44Å; L65-F95 HydrophobicContact CG-CE1 4.38Å; L65-F95 HydrophobicContact CG-CZ 4.43Å |
| 66 | E | 77.9 | Confident | 78.1 | Confident | 156 Ų | 156 | 39.8 Ų | 39.8 | 73% | 0.729 | 21% | 0.211 | S | C | * | . | H | α-helix | trans | -66.6 | -41.6 | 177.4 | -66.8 | 177.7 | 179.7 | 0 | 0 | 111.4 | Q64 A69 K70 | Q64-E66 VanDerWaalsContact C-N 3.34Å; Q64-E66 PolarHBondContact O-N 2.81Å; E66-A69 PolarHBondContact O-N 3.16Å; E66-K70 PolarHBondContact O-N 3.49Å |
| 67 | L | 85.2 | Confident | 79.8 | Confident | 48 Ų | 48 | 38.5 Ų | 38.5 | 25% | 0.251 | 20% | 0.202 | S | C | . | . | H | α-helix | trans | -64.1 | -43.9 | 176.3 | -170.9 | 66.2 | 0 | 0 | 0 | 111.2 | N17 N18 Q64 K70 A71 | N17-L67 HydrophobicContact CB-CD2 4.23Å; N17-L67 VanDerWaalsContact O-CD2 3.28Å; N17-L67 WeakPolarHBondContact O-CD2 3.36Å; N18-L67 WeakPolarHBondContact OD1-CD1 3.45Å; N18-L67 WeakPolarHBondContact OD1-CG 3.45Å; Q64-L67 HydrophobicContact CB-CB 4.43Å; Q64-L67 WeakPolarHBondContact O-CB 3.4Å; Q64-L67 PolarHBondContact O-N 2.9Å; Q64-L67 VanDerWaalsContact O-N 3.14Å; L67-K70 WeakPolarHBondContact O-CB 3.4Å; L67-K70 PolarHBondContact O-N 3.49Å; L67-A71 PolarHBondContact O-N 3.49Å |
| 68 | D | 87.3 | Confident | 81.4 | Confident | 0 Ų | 0 | 39 Ų | 39 | 0% | 0 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -72.2 | -35.4 | -179.5 | -67.6 | -7.3 | 0 | 0 | 0 | 111.5 | R12 M19 S61 Q64 L65 K70 A71 V72 | R12-D68 IonicContact CZ-OD1 2.78Å; R12-D68 IonicContact CZ-OD2 3.34Å; R12-D68 IonicContact NH1-OD1 3.29Å; R12-D68 PolarHBondContact NH1-OD1 3.47Å; R12-D68 IonicContact NH1-OD2 3.07Å; R12-D68 IonicContact NH2-OD1 2.87Å; R12-D68 PolarHBondContact NH2-OD1 2.89Å; R12-D68 IonicContact NH2-OD2 2.75Å; R12-D68 PolarHBondContact NH2-OD2 3.25Å; M19-D68 HydrophobicContact CE-CB 3.56Å; M19-D68 VanDerWaalsContact CE-CG 3.41Å; M19-D68 WeakPolarHBondContact CE-OD1 3.43Å; M19-D68 WeakPolarHBondContact CG-OD1 3.2Å; M19-D68 HydrophobicContact SD-CB 4.36Å; S61-D68 WeakPolarHBondContact CA-OD2 3.27Å; S61-D68 WeakPolarHBondContact CB-OD2 3.32Å; S61-D68 PolarHBondContact OG-OD2 3.13Å; Q64-D68 WeakPolarHBondContact O-CB 3.42Å; Q64-D68 VanDerWaalsContact O-CG 3.28Å; Q64-D68 PolarHBondContact O-N 2.62Å; L65-D68 PolarHBondContact O-N 3.22Å; D68-K70 VanDerWaalsContact C-N 3.32Å; D68-K70 PolarHBondContact O-N 3.36Å; D68-A71 PolarHBondContact O-N 3.07Å; D68-V72 WeakPolarHBondContact O-CB 3.34Å; D68-V72 VanDerWaalsContact O-CG2 3.27Å; D68-V72 WeakPolarHBondContact O-CG2 3.37Å; D68-V72 PolarHBondContact O-N 2.84Å |
| 69 | A | 83.2 | Confident | 82.9 | Confident | 2 Ų | 2 | 38.6 Ų | 38.6 | 2% | 0.017 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -59.8 | -43.2 | 170.2 | 0 | 0 | 0 | 0 | 0 | 111.4 | L65 E66 V72 T73 L98 T102 | L65-A69 WeakPolarHBondContact O-CB 3.22Å; L65-A69 PolarHBondContact O-N 2.95Å; E66-A69 PolarHBondContact O-N 3.16Å; A69-V72 PolarHBondContact O-N 2.94Å; A69-T73 PolarHBondContact O-N 3.02Å; A69-T73 PolarHBondContact O-OG1 3.39Å; A69-L98 HydrophobicContact CB-CD1 3.62Å; A69-L98 HydrophobicContact CB-CG 4.1Å; A69-T102 HydrophobicContact CB-CG2 4.44Å |
| 70 | K | 85 | Confident | 84.3 | Confident | 118 Ų | 118 | 37.8 Ų | 37.8 | 51% | 0.513 | 19% | 0.192 | S | C | . | . | H | α-helix | trans | -62.8 | -43.8 | 174.5 | 178.3 | 164.3 | 174.6 | 40 | 0 | 111.5 | E66 L67 D68 T73 D74 | E66-K70 PolarHBondContact O-N 3.49Å; L67-K70 WeakPolarHBondContact O-CB 3.4Å; L67-K70 PolarHBondContact O-N 3.49Å; D68-K70 VanDerWaalsContact C-N 3.32Å; D68-K70 PolarHBondContact O-N 3.36Å; K70-T73 WeakPolarHBondContact O-CB 3.2Å; K70-T73 PolarHBondContact O-N 3.23Å; K70-D74 IonicContact NZ-OD1 2.77Å; K70-D74 PolarHBondContact NZ-OD1 2.84Å; K70-D74 IonicContact NZ-OD2 3.88Å; K70-D74 PolarHBondContact NZ-OD2 3.26Å; K70-D74 WeakPolarHBondContact O-CB 3.44Å; K70-D74 VanDerWaalsContact O-CG 3.29Å; K70-D74 PolarHBondContact O-N 2.99Å |
| 71 | A | 89.1 | Confident | 85.3 | Confident | 10 Ų | 10 | 37.7 Ų | 37.7 | 8% | 0.083 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -61.3 | -46.2 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | M19 L67 D68 T73 D74 W75 | M19-A71 HydrophobicContact CE-CB 4.35Å; L67-A71 PolarHBondContact O-N 3.49Å; D68-A71 PolarHBondContact O-N 3.07Å; A71-T73 VanDerWaalsContact C-N 3.27Å; A71-T73 PolarHBondContact O-N 3.19Å; A71-D74 PolarHBondContact O-N 3.24Å; A71-W75 HydrophobicContact CB-CH2 3.94Å; A71-W75 HydrophobicContact CB-CZ2 3.91Å; A71-W75 HydrophobicContact CB-CZ3 4.27Å; A71-W75 WeakPolarHBondContact O-CB 3.43Å; A71-W75 VanDerWaalsContact O-CD2 3.22Å; A71-W75 PolarHBondContact O-N 3.39Å |
| 72 | V | 90 | Very high | 86.2 | Confident | 0 Ų | 0 | 37.9 Ų | 37.9 | 0% | 0 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -52.4 | -47 | 173.3 | 163.1 | 0 | 0 | 0 | 0 | 110.7 | I46 L48 D68 A69 W75 G76 V77 V80 T102 | I46-V72 HydrophobicContact CG2-CG2 4.48Å; L48-V72 HydrophobicContact CD1-CG2 3.86Å; D68-V72 WeakPolarHBondContact O-CB 3.34Å; D68-V72 VanDerWaalsContact O-CG2 3.27Å; D68-V72 WeakPolarHBondContact O-CG2 3.37Å; D68-V72 PolarHBondContact O-N 2.84Å; A69-V72 PolarHBondContact O-N 2.94Å; V72-W75 PolarHBondContact O-N 2.89Å; V72-G76 PolarHBondContact O-N 2.95Å; V72-V77 HydrophobicContact CB-CB 4.37Å; V72-V77 HydrophobicContact CG1-CB 3.67Å; V72-V77 HydrophobicContact CG1-CG1 3.77Å; V72-V77 WeakPolarHBondContact O-CB 3.27Å; V72-V77 PolarHBondContact O-N 3.14Å; V72-V80 HydrophobicContact CG1-CG2 4Å; V72-V80 HydrophobicContact CG2-CG2 4.31Å; V72-T102 HydrophobicContact CG1-CG2 4.36Å |
| 73 | T | 88 | Confident | 86.9 | Confident | 28 Ų | 28 | 38.8 Ų | 38.8 | 17% | 0.172 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -64.3 | -47.4 | 178.5 | -52.2 | 0 | 0 | 0 | 0 | 112.1 | A69 K70 A71 W75 G76 T102 | A69-T73 PolarHBondContact O-N 3.02Å; A69-T73 PolarHBondContact O-OG1 3.39Å; K70-T73 WeakPolarHBondContact O-CB 3.2Å; K70-T73 PolarHBondContact O-N 3.23Å; A71-T73 VanDerWaalsContact C-N 3.27Å; A71-T73 PolarHBondContact O-N 3.19Å; T73-W75 PolarHBondContact O-N 2.95Å; T73-G76 PolarHBondContact O-N 3.44Å; T73-T102 WeakPolarHBondContact CG2-O 3.18Å; T73-T102 WeakPolarHBondContact OG1-CA 3.31Å; T73-T102 WeakPolarHBondContact OG1-CB 3.08Å; T73-T102 WeakPolarHBondContact OG1-CG2 3.49Å |
| 74 | D | 90.1 | Very high | 87.1 | Confident | 73 Ų | 73 | 33 Ų | 33 | 39% | 0.39 | 17% | 0.165 | S | C | . | . | H | α-helix | trans | -66.3 | -24.2 | -178.3 | -72.5 | -19 | 0 | 0 | 0 | 112.3 | K31 K70 A71 | K31-D74 VanDerWaalsContact CE-O 3.25Å; K31-D74 WeakPolarHBondContact CE-O 3.36Å; K70-D74 IonicContact NZ-OD1 2.77Å; K70-D74 PolarHBondContact NZ-OD1 2.84Å; K70-D74 IonicContact NZ-OD2 3.88Å; K70-D74 PolarHBondContact NZ-OD2 3.26Å; K70-D74 WeakPolarHBondContact O-CB 3.44Å; K70-D74 VanDerWaalsContact O-CG 3.29Å; K70-D74 PolarHBondContact O-N 2.99Å; A71-D74 PolarHBondContact O-N 3.24Å |
| 75 | W | 93 | Very high | 86.6 | Confident | 35 Ų | 35 | 30.8 Ų | 30.8 | 13% | 0.133 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -86.9 | -10 | 172.5 | -59.2 | -18.1 | 0 | 0 | 0 | 113.5 | W7 M19 I30 K31 I46 A71 V72 T73 V77 | W7-W75 AromaticContact CH2-CH2 3.61Å; W7-W75 HydrophobicContact CH2-CH2 3.61Å; W7-W75 AromaticContact CH2-CZ3 3.61Å; W7-W75 HydrophobicContact CH2-CZ3 3.61Å; W7-W75 HydrophobicContact CZ2-CZ3 4.36Å; W7-W75 AromaticContact CZ3-CH2 3.99Å; W7-W75 HydrophobicContact CZ3-CH2 3.99Å; W7-W75 HydrophobicContact CZ3-CZ3 4.19Å; M19-W75 HydrophobicContact CB-CH2 4.23Å; M19-W75 HydrophobicContact CE-CH2 4.13Å; M19-W75 HydrophobicContact CE-CZ3 4.21Å; I30-W75 HydrophobicContact CB-CD2 3.99Å; I30-W75 HydrophobicContact CB-CE3 4.17Å; I30-W75 HydrophobicContact CB-CG 4.43Å; I30-W75 HydrophobicContact CB-CZ2 4.47Å; I30-W75 HydrophobicContact CB-CZ3 4.48Å; I30-W75 HydrophobicContact CG2-CB 4.27Å; I30-W75 HydrophobicContact CG2-CD2 3.63Å; I30-W75 HydrophobicContact CG2-CE3 3.55Å; I30-W75 HydrophobicContact CG2-CG 3.96Å; I30-W75 HydrophobicContact CG2-CZ3 4.17Å; K31-W75 HydrophobicContact CB-CG 4.45Å; I46-W75 HydrophobicContact CD1-CE3 4.18Å; I46-W75 HydrophobicContact CD1-CZ3 3.99Å; A71-W75 HydrophobicContact CB-CH2 3.94Å; A71-W75 HydrophobicContact CB-CZ2 3.91Å; A71-W75 HydrophobicContact CB-CZ3 4.27Å; A71-W75 WeakPolarHBondContact O-CB 3.43Å; A71-W75 VanDerWaalsContact O-CD2 3.22Å; A71-W75 PolarHBondContact O-N 3.39Å; V72-W75 PolarHBondContact O-N 2.89Å; T73-W75 PolarHBondContact O-N 2.95Å; W75-V77 VanDerWaalsContact C-N 3.35Å; W75-V77 HydrophobicContact CB-CG2 4.16Å |
| 76 | G | 92.8 | Very high | 86.1 | Confident | 11 Ų | 11 | 35.8 Ų | 35.8 | 11% | 0.113 | 18% | 0.179 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 70.1 | 29.8 | -176.5 | 0 | 0 | 0 | 0 | 0 | 113.4 | H38 V72 T73 | H38-G76 PolarHBondContact CE1-O 3Å; H38-G76 PolarHBondContact NE2-O 3.46Å; V72-G76 PolarHBondContact O-N 2.95Å; T73-G76 PolarHBondContact O-N 3.44Å |
| 77 | V | 94.4 | Very high | 85.6 | Confident | 5 Ų | 5 | 28.9 Ų | 28.9 | 3% | 0.03 | 15% | 0.148 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -70 | 137.2 | 173.1 | 169.9 | 0 | 0 | 0 | 0 | 109.5 | F44 I46 V72 W75 F79 V80 | F44-V77 HydrophobicContact CD1-CB 4.45Å; F44-V77 HydrophobicContact CD1-CG2 3.43Å; F44-V77 VanDerWaalsContact CD1-CG2 3.43Å; F44-V77 HydrophobicContact CE1-CG2 3.42Å; F44-V77 VanDerWaalsContact CE1-CG2 3.42Å; F44-V77 HydrophobicContact CG-CG2 4.22Å; F44-V77 HydrophobicContact CZ-CG2 4.19Å; F44-V77 WeakPolarHBondContact O-CA 3.44Å; I46-V77 HydrophobicContact CB-CG1 4.45Å; I46-V77 HydrophobicContact CB-CG2 4.29Å; I46-V77 HydrophobicContact CG2-CG1 3.91Å; I46-V77 HydrophobicContact CG2-CG2 4.12Å; V72-V77 HydrophobicContact CB-CB 4.37Å; V72-V77 HydrophobicContact CG1-CB 3.67Å; V72-V77 HydrophobicContact CG1-CG1 3.77Å; V72-V77 WeakPolarHBondContact O-CB 3.27Å; V72-V77 PolarHBondContact O-N 3.14Å; W75-V77 VanDerWaalsContact C-N 3.35Å; W75-V77 HydrophobicContact CB-CG2 4.16Å; V77-F79 WeakPolarHBondContact CG1-O 3.43Å; V77-V80 HydrophobicContact CG1-CG2 3.9Å |
| 78 | V | 93.6 | Very high | 84.7 | Confident | 43 Ų | 43 | 30.2 Ų | 30.2 | 26% | 0.261 | 16% | 0.158 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.5 | 1.9 | 178.2 | -59.9 | 0 | 0 | 0 | 0 | 113.1 | L43 F44 M107 | L43-V78 HydrophobicContact CB-CG2 3.7Å; L43-V78 HydrophobicContact CD1-CG2 4.2Å; L43-V78 HydrophobicContact CD2-CG2 4.07Å; L43-V78 HydrophobicContact CG-CG2 4.19Å; F44-V78 PolarHBondContact O-N 2.97Å; V78-M107 PolarHBondContact O-N 2.91Å |
| 79 | F | 94 | Very high | 83.6 | Confident | 22 Ų | 22 | 36 Ų | 36 | 10% | 0.096 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140 | 128 | 175.8 | 179.8 | -78.3 | 0 | 0 | 0 | 109.4 | V2 F44 G45 I46 V77 K81 M107 L109 L136 L206 | V2-F79 HydrophobicContact CG1-CD1 4.08Å; V2-F79 HydrophobicContact CG1-CE1 4.14Å; V2-F79 HydrophobicContact CG2-CD1 3.81Å; V2-F79 HydrophobicContact CG2-CE1 4.06Å; V2-F79 HydrophobicContact CG2-CG 4.39Å; F44-F79 PolarHBondContact O-N 2.8Å; G45-F79 CarbonylContact C-O 3.32Å; G45-F79 WeakPolarHBondContact CA-O 3.03Å; I46-F79 PolarHBondContact N-O 3.46Å; V77-F79 WeakPolarHBondContact CG1-O 3.43Å; F79-K81 HydrophobicContact CE1-CB 4.23Å; F79-M107 CarbonylContact C-O 3.58Å; F79-M107 WeakPolarHBondContact CA-O 3.31Å; F79-M107 HydrophobicContact CD2-CB 3.87Å; F79-M107 HydrophobicContact CD2-CG 3.83Å; F79-M107 HydrophobicContact CD2-SD 3.64Å; F79-M107 HydrophobicContact CE2-CG 4.11Å; F79-M107 HydrophobicContact CE2-SD 3.75Å; F79-L109 HydrophobicContact CE1-CB 4.2Å; F79-L109 HydrophobicContact CE1-CD2 4.5Å; F79-L109 HydrophobicContact CE2-CB 4.46Å; F79-L109 HydrophobicContact CZ-CB 3.69Å; F79-L109 HydrophobicContact CZ-CD2 4.06Å; F79-L136 HydrophobicContact CE2-CD1 4.25Å; F79-L136 HydrophobicContact CE2-CD2 3.88Å; F79-L136 HydrophobicContact CZ-CD1 4.27Å; F79-L136 HydrophobicContact CZ-CD2 4.41Å; F79-L206 HydrophobicContact CZ-CD1 4.39Å |
| 80 | V | 91.7 | Very high | 82.8 | Confident | 0 Ų | 0 | 41 Ų | 41 | 0% | 0 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.9 | 120.9 | 177.1 | 178 | 0 | 0 | 0 | 0 | 109.5 | I46 L48 V72 V77 L82 L98 V106 M107 L108 L109 | I46-V80 HydrophobicContact CG2-CG2 4.42Å; I46-V80 VanDerWaalsContact O-CA 3.31Å; I46-V80 WeakPolarHBondContact O-CA 3.24Å; L48-V80 HydrophobicContact CB-CG1 4.24Å; L48-V80 HydrophobicContact CD1-CG1 3.85Å; L48-V80 HydrophobicContact CG-CG1 3.91Å; V72-V80 HydrophobicContact CG1-CG2 4Å; V72-V80 HydrophobicContact CG2-CG2 4.31Å; V77-V80 HydrophobicContact CG1-CG2 3.9Å; V80-L82 HydrophobicContact CG1-CD2 3.54Å; V80-L82 HydrophobicContact CG1-CG 3.97Å; V80-L98 HydrophobicContact CB-CD2 4.24Å; V80-L98 HydrophobicContact CG1-CD2 4.1Å; V80-L98 HydrophobicContact CG2-CD2 4.04Å; V80-V106 HydrophobicContact CB-CG1 4.28Å; V80-V106 HydrophobicContact CG2-CG1 3.7Å; V80-M107 PolarHBondContact N-O 3.18Å; V80-L108 HydrophobicContact CB-CD2 3.81Å; V80-L108 HydrophobicContact CG1-CD2 4.41Å; V80-L109 PolarHBondContact O-N 2.94Å |
| 81 | K | 91.3 | Very high | 82 | Confident | 23 Ų | 23 | 36.3 Ų | 36.3 | 10% | 0.1 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.8 | 121.2 | 163.8 | 178.9 | -174.6 | 173.2 | -164 | 0 | 107.8 | D4 I46 N47 L48 F79 L109 T111 | D4-K81 IonicContact OD1-NZ 3.55Å; D4-K81 PolarHBondContact OD1-NZ 3.36Å; D4-K81 VanDerWaalsContact OD2-CD 3.3Å; D4-K81 WeakPolarHBondContact OD2-CD 3.08Å; D4-K81 IonicContact OD2-NZ 2.68Å; D4-K81 PolarHBondContact OD2-NZ 3.45Å; I46-K81 PolarHBondContact O-N 2.86Å; N47-K81 CarbonylContact C-O 3.58Å; N47-K81 WeakPolarHBondContact CA-O 3.28Å; N47-K81 HydrophobicContact CB-CB 4.33Å; N47-K81 HydrophobicContact CB-CD 4.47Å; N47-K81 VanDerWaalsContact OD1-CD 3.31Å; N47-K81 WeakPolarHBondContact OD1-CD 3.48Å; N47-K81 VanDerWaalsContact OD1-CG 3.32Å; N47-K81 WeakPolarHBondContact OD1-CG 3.29Å; N47-K81 PolarHBondContact OD1-O 3.03Å; L48-K81 PolarHBondContact N-O 3.3Å; F79-K81 HydrophobicContact CE1-CB 4.23Å; K81-L109 HydrophobicContact CB-CB 4.44Å; K81-L109 HydrophobicContact CB-CD2 4.25Å; K81-L109 HydrophobicContact CD-CD2 4.28Å; K81-L109 HydrophobicContact CG-CD2 3.88Å; K81-L109 HydrophobicContact CG-CG 4.17Å; K81-T111 HydrophobicContact CG-CG2 4.11Å |
| 82 | L | 86.7 | Confident | 80.8 | Confident | 5 Ų | 5 | 36.9 Ų | 36.9 | 3% | 0.026 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101 | 105.2 | 178.4 | -66.4 | 176.5 | 0 | 0 | 0 | 108.8 | L48 V80 F95 L108 L109 T111 | L48-L82 HydrophobicContact CB-CD2 4.17Å; L48-L82 WeakPolarHBondContact O-CA 3.36Å; V80-L82 HydrophobicContact CG1-CD2 3.54Å; V80-L82 HydrophobicContact CG1-CG 3.97Å; L82-F95 HydrophobicContact CD1-CB 4.04Å; L82-F95 HydrophobicContact CD1-CD1 3.53Å; L82-F95 HydrophobicContact CD1-CE1 4.21Å; L82-F95 HydrophobicContact CD1-CG 3.91Å; L82-F95 HydrophobicContact CD2-CD1 3.72Å; L82-F95 HydrophobicContact CD2-CE1 3.65Å; L82-F95 HydrophobicContact CG-CD1 4.25Å; L82-L108 HydrophobicContact CD1-CD1 4.43Å; L82-L108 HydrophobicContact CD1-CD2 4.29Å; L82-L109 PolarHBondContact N-O 2.99Å; L82-T111 WeakPolarHBondContact O-CB 3.37Å; L82-T111 WeakPolarHBondContact O-CG2 3.41Å; L82-T111 PolarHBondContact O-N 3.48Å; L82-T111 PolarHBondContact O-OG1 3.35Å |
| 83 | H | 82.4 | Confident | 79.6 | Confident | 32 Ų | 32 | 41.9 Ų | 41.9 | 15% | 0.148 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -80.8 | 127.6 | 179.7 | -160.1 | -142.3 | 0 | 0 | 0 | 110.6 | L48 N50 C55 T111 Y115 | L48-H83 PolarHBondContact O-N 2.88Å; N50-H83 WeakPolarHBondContact CB-O 3.38Å; N50-H83 PolarHBondContact N-O 3.2Å; N50-H83 PolarHBondContact OD1-O 3.38Å; C55-H83 WeakPolarHBondContact CB-ND1 3.45Å; C55-H83 PolarHBondContact SG-CE1 2.98Å; C55-H83 PolarHBondContact SG-ND1 3.24Å; H83-T111 VanDerWaalsContact CA-OG1 3.28Å; H83-T111 WeakPolarHBondContact CA-OG1 3.31Å; H83-Y115 PolarHBondContact CD2-OH 3.22Å; H83-Y115 PolarHBondContact CE1-OH 3.3Å; H83-Y115 PolarHBondContact NE2-OH 2.58Å |
| 84 | A | 75.7 | Confident | 78.7 | Confident | 2 Ų | 2 | 44.6 Ų | 44.6 | 2% | 0.017 | 22% | 0.223 | C | C | . | . | trans | -104 | 19.2 | -157.2 | 0 | 0 | 0 | 0 | 0 | 119 | N50 H86 C87 F92 T111 Y112 Y115 | N50-A84 VanDerWaalsContact CG-CA 3.45Å; N50-A84 VanDerWaalsContact ND2-CA 3.28Å; N50-A84 WeakPolarHBondContact ND2-CA 3.36Å; N50-A84 WeakPolarHBondContact ND2-CB 3.33Å; N50-A84 WeakPolarHBondContact OD1-CA 3.28Å; A84-H86 PolarHBondContact O-N 3.34Å; A84-C87 PolarHBondContact O-N 2.84Å; A84-F92 HydrophobicContact CB-CE1 4.43Å; A84-F92 HydrophobicContact CB-CZ 4.27Å; A84-T111 WeakPolarHBondContact CB-OG1 3.46Å; A84-T111 PolarHBondContact N-OG1 2.82Å; A84-Y112 VanDerWaalsContact CB-CB 3.45Å; A84-Y112 VanDerWaalsContact CB-N 3.33Å; A84-Y115 VanDerWaalsContact C-CZ 3.48Å; A84-Y115 HydrophobicContact CB-CD2 3.86Å; A84-Y115 HydrophobicContact CB-CE2 3.53Å; A84-Y115 PolarHBondContact N-OH 2.88Å | ||
| 85 | C | 69.2 | Low | 77.5 | Confident | 15 Ų | 15 | 41.2 Ų | 41.2 | 10% | 0.101 | 21% | 0.205 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -61.6 | 133.6 | -174.1 | -44 | 0 | 0 | 0 | 0 | 111.6 | G51 C55 C87 Y115 | G51-C85 WeakPolarHBondContact CA-O 3.41Å; C55-C85 VanDerWaalsContact CA-SG 3.51Å; C55-C85 HydrophobicContact CB-CB 3.98Å; C55-C85 WeakPolarHBondContact CB-SG 3.34Å; C55-C85 WeakPolarHBondContact SG-CB 3.49Å; C55-C85 CovalentContact SG-SG 2Å; C55-C85 PolarHBondContact SG-SG 2.97Å; C85-C87 PolarHBondContact O-N 3.14Å; C85-Y115 VanDerWaalsContact CA-CE1 3.47Å; C85-Y115 HydrophobicContact CB-CE1 3.92Å; C85-Y115 PolarHBondContact N-OH 3.26Å; C85-Y115 PolarHBondContact SG-OH 3.31Å |
| 86 | H | 67.3 | Low | 76.2 | Confident | 124 Ų | 124 | 41.8 Ų | 41.8 | 57% | 0.574 | 21% | 0.212 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 61.2 | 14.3 | 173.9 | -46 | -70.9 | 0 | 0 | 0 | 115.1 | T53 A84 | T53-H86 WeakPolarHBondContact OG1-CB 3.48Å; T53-H86 PolarHBondContact OG1-CD2 3.01Å; T53-H86 VanDerWaalsContact OG1-CG 3.27Å; A84-H86 PolarHBondContact O-N 3.34Å |
| 87 | C | 68 | Low | 75 | Confident | 11 Ų | 11 | 46.8 Ų | 46.8 | 7% | 0.074 | 23% | 0.231 | C | C | . | . | trans | -71.2 | 135.8 | 178 | -125.2 | 0 | 0 | 0 | 0 | 111.8 | N50 A84 C85 D91 F92 | N50-C87 PolarHBondContact ND2-SG 2.99Å; N50-C87 PolarHBondContact O-SG 2.87Å; N50-C87 VanDerWaalsContact O-SG 3.4Å; N50-C87 PolarHBondContact OD1-SG 2.9Å; A84-C87 PolarHBondContact O-N 2.84Å; C85-C87 PolarHBondContact O-N 3.14Å; C87-D91 WeakPolarHBondContact SG-CB 3.49Å; C87-F92 HydrophobicContact CB-CE1 4.33Å; C87-F92 HydrophobicContact CB-CE2 3.73Å; C87-F92 HydrophobicContact CB-CZ 3.45Å; C87-F92 VanDerWaalsContact CB-CZ 3.45Å | ||
| 88 | T | 66.2 | Low | 74 | Confident | 75 Ų | 75 | 46.7 Ų | 46.7 | 46% | 0.46 | 23% | 0.231 | S | C | . | . | trans | -87.9 | 167.7 | 170.8 | 73.7 | 0 | 0 | 0 | 0 | 110.9 | N90 D91 F92 | T88-N90 PolarHBondContact O-N 3.41Å; T88-D91 WeakPolarHBondContact CB-OD2 3.39Å; T88-D91 PolarHBondContact N-OD2 2.94Å; T88-D91 PolarHBondContact O-N 3.13Å; T88-D91 VanDerWaalsContact OG1-CG 3.26Å; T88-D91 PolarHBondContact OG1-OD2 2.97Å; T88-F92 VanDerWaalsContact O-CD2 3.26Å; T88-F92 WeakPolarHBondContact O-CD2 3.31Å; T88-F92 WeakPolarHBondContact O-CE2 3.48Å | ||
| 89 | K | 64.9 | Low | 72.8 | Confident | 121 Ų | 121 | 46.3 Ų | 46.3 | 53% | 0.526 | 23% | 0.229 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -54.7 | -36 | 176.4 | -175.2 | 179.2 | 177.1 | -178.5 | 0 | 112.9 | W118 R129 | K89-W118 HydrophobicContact CB-CH2 4.13Å; K89-W118 HydrophobicContact CG-CH2 4.36Å; K89-R129 PolarHBondContact O-NH2 2.92Å |
| 90 | N | 65.2 | Low | 71.8 | Confident | 109 Ų | 109 | 52.1 Ų | 52.1 | 58% | 0.583 | 26% | 0.256 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77.1 | -23.4 | -173.4 | -66.8 | -8.9 | 0 | 0 | 0 | 112.8 | T88 F92 E93 | T88-N90 PolarHBondContact O-N 3.41Å; N90-F92 VanDerWaalsContact C-N 3.3Å; N90-F92 PolarHBondContact O-N 2.93Å; N90-E93 PolarHBondContact O-N 2.7Å |
| 91 | D | 68.3 | Low | 70.5 | Confident | 19 Ų | 19 | 54.8 Ų | 54.8 | 10% | 0.102 | 28% | 0.284 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -70.2 | -31.6 | -175.4 | -61.2 | -41.8 | 0 | 0 | 0 | 112 | I62 C87 T88 E93 K94 F95 | I62-D91 HydrophobicContact CD1-CB 3.65Å; I62-D91 WeakPolarHBondContact CD1-OD1 3.4Å; I62-D91 WeakPolarHBondContact CD1-OD2 3.38Å; I62-D91 HydrophobicContact CG1-CB 4.25Å; C87-D91 WeakPolarHBondContact SG-CB 3.49Å; T88-D91 WeakPolarHBondContact CB-OD2 3.39Å; T88-D91 PolarHBondContact N-OD2 2.94Å; T88-D91 PolarHBondContact O-N 3.13Å; T88-D91 VanDerWaalsContact OG1-CG 3.26Å; T88-D91 PolarHBondContact OG1-OD2 2.97Å; D91-E93 VanDerWaalsContact C-N 3.32Å; D91-E93 PolarHBondContact O-N 2.77Å; D91-K94 WeakPolarHBondContact O-CB 3.26Å; D91-K94 PolarHBondContact O-N 3.01Å; D91-K94 VanDerWaalsContact O-N 3.12Å; D91-K94 IonicContact OD1-NZ 3.66Å; D91-F95 VanDerWaalsContact O-CD2 3.25Å; D91-F95 WeakPolarHBondContact O-CD2 3.43Å |
| 92 | F | 64.5 | Low | 69.6 | Low | 21 Ų | 21 | 54.1 Ų | 54.1 | 9% | 0.092 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -65.8 | -31.6 | -179 | -67.2 | -70.4 | 0 | 0 | 0 | 114.2 | N50 A84 C87 T88 N90 K94 F95 Y112 W118 | N50-F92 WeakPolarHBondContact ND2-CE1 3.42Å; A84-F92 HydrophobicContact CB-CE1 4.43Å; A84-F92 HydrophobicContact CB-CZ 4.27Å; C87-F92 HydrophobicContact CB-CE1 4.33Å; C87-F92 HydrophobicContact CB-CE2 3.73Å; C87-F92 HydrophobicContact CB-CZ 3.45Å; C87-F92 VanDerWaalsContact CB-CZ 3.45Å; T88-F92 VanDerWaalsContact O-CD2 3.26Å; T88-F92 WeakPolarHBondContact O-CD2 3.31Å; T88-F92 WeakPolarHBondContact O-CE2 3.48Å; N90-F92 VanDerWaalsContact C-N 3.3Å; N90-F92 PolarHBondContact O-N 2.93Å; F92-K94 PolarHBondContact O-N 2.86Å; F92-F95 PolarHBondContact O-N 3.4Å; F92-Y112 AromaticContact CD1-CD1 3.93Å; F92-Y112 HydrophobicContact CD1-CD1 3.93Å; F92-Y112 HydrophobicContact CD1-CE1 4.38Å; F92-Y112 HydrophobicContact CD1-CG 4.5Å; F92-Y112 AromaticContact CE1-CD1 3.5Å; F92-Y112 HydrophobicContact CE1-CD1 3.5Å; F92-Y112 HydrophobicContact CE1-CE1 4.37Å; F92-Y112 AromaticContact CE1-CG 3.76Å; F92-Y112 HydrophobicContact CE1-CG 3.76Å; F92-Y112 HydrophobicContact CE2-CD1 4.38Å; F92-Y112 HydrophobicContact CE2-CD2 4.39Å; F92-Y112 HydrophobicContact CE2-CG 4.06Å; F92-Y112 AromaticContact CZ-CD1 3.78Å; F92-Y112 HydrophobicContact CZ-CD1 3.78Å; F92-Y112 HydrophobicContact CZ-CD2 4.26Å; F92-Y112 AromaticContact CZ-CG 3.52Å; F92-Y112 HydrophobicContact CZ-CG 3.52Å; F92-W118 HydrophobicContact CD2-CZ2 4.41Å; F92-W118 AromaticContact CE2-CZ2 3.89Å; F92-W118 HydrophobicContact CE2-CZ2 3.89Å |
| 93 | E | 64.6 | Low | 68.9 | Low | 106 Ų | 106 | 57.4 Ų | 57.4 | 50% | 0.495 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -61 | -24.9 | 175.5 | -119.5 | 157.1 | -110.9 | 0 | 0 | 112.1 | N90 D91 T96 R129 | N90-E93 PolarHBondContact O-N 2.7Å; D91-E93 VanDerWaalsContact C-N 3.32Å; D91-E93 PolarHBondContact O-N 2.77Å; E93-T96 PolarHBondContact O-OG1 3.5Å; E93-R129 VanDerWaalsContact CD-NH2 3.32Å; E93-R129 IonicContact OE1-CZ 3.57Å; E93-R129 IonicContact OE1-NH1 3.49Å; E93-R129 PolarHBondContact OE1-NH1 3.41Å; E93-R129 IonicContact OE1-NH2 3.08Å; E93-R129 PolarHBondContact OE1-NH2 3.37Å |
| 94 | K | 68.8 | Low | 68.7 | Low | 85 Ų | 85 | 63.2 Ų | 63.2 | 37% | 0.37 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -78 | -23.6 | 177.5 | -54.5 | 174.2 | 179.4 | 165.8 | 0 | 112.1 | L65 D91 F92 K97 | L65-K94 HydrophobicContact CD1-CB 3.24Å; L65-K94 HydrophobicContact CD1-CD 4.16Å; L65-K94 HydrophobicContact CD1-CG 4.34Å; D91-K94 WeakPolarHBondContact O-CB 3.26Å; D91-K94 PolarHBondContact O-N 3.01Å; D91-K94 VanDerWaalsContact O-N 3.12Å; D91-K94 IonicContact OD1-NZ 3.66Å; F92-K94 PolarHBondContact O-N 2.86Å; K94-K97 WeakPolarHBondContact O-CB 3.43Å; K94-K97 PolarHBondContact O-N 2.88Å |
| 95 | F | 64.5 | Low | 69.1 | Low | 2 Ų | 2 | 68.9 Ų | 68.9 | 1% | 0.009 | 37% | 0.374 | C | S | . | . | H | α-helix | trans | -81.8 | -20.8 | -177.2 | -74.2 | -83.5 | 0 | 0 | 0 | 114.1 | N50 L65 L82 D91 F92 K97 L98 P99 | N50-F95 HydrophobicContact CB-CE1 4.11Å; N50-F95 HydrophobicContact CB-CE2 3.62Å; N50-F95 HydrophobicContact CB-CZ 3.24Å; L65-F95 HydrophobicContact CD1-CD2 4.43Å; L65-F95 HydrophobicContact CD1-CE1 4.42Å; L65-F95 HydrophobicContact CD1-CE2 4.26Å; L65-F95 HydrophobicContact CD1-CZ 4.24Å; L65-F95 HydrophobicContact CD2-CD1 3.65Å; L65-F95 HydrophobicContact CD2-CE1 3.11Å; L65-F95 HydrophobicContact CD2-CE2 4.25Å; L65-F95 HydrophobicContact CD2-CG 4.41Å; L65-F95 HydrophobicContact CD2-CZ 3.44Å; L65-F95 VanDerWaalsContact CD2-CZ 3.44Å; L65-F95 HydrophobicContact CG-CE1 4.38Å; L65-F95 HydrophobicContact CG-CZ 4.43Å; L82-F95 HydrophobicContact CD1-CB 4.04Å; L82-F95 HydrophobicContact CD1-CD1 3.53Å; L82-F95 HydrophobicContact CD1-CE1 4.21Å; L82-F95 HydrophobicContact CD1-CG 3.91Å; L82-F95 HydrophobicContact CD2-CD1 3.72Å; L82-F95 HydrophobicContact CD2-CE1 3.65Å; L82-F95 HydrophobicContact CG-CD1 4.25Å; D91-F95 VanDerWaalsContact O-CD2 3.25Å; D91-F95 WeakPolarHBondContact O-CD2 3.43Å; F92-F95 PolarHBondContact O-N 3.4Å; F95-K97 PolarHBondContact O-N 2.98Å; F95-K97 VanDerWaalsContact O-N 3.11Å; F95-L98 WeakPolarHBondContact O-CB 3.48Å; F95-L98 PolarHBondContact O-N 3.15Å; F95-P99 WeakPolarHBondContact O-CD 3.48Å |
| 96 | T | 66 | Low | 70 | Confident | 46 Ų | 46 | 68.7 Ų | 68.7 | 28% | 0.282 | 37% | 0.372 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -57.4 | -24.4 | 168.7 | 59.1 | 0 | 0 | 0 | 0 | 111.2 | E93 P99 T133 | E93-T96 PolarHBondContact O-OG1 3.5Å; T96-P99 WeakPolarHBondContact O-CD 3.48Å; T96-T133 HydrophobicContact CG2-CG2 3.39Å; T96-T133 WeakPolarHBondContact CG2-OG1 3.38Å |
| 97 | K | 67.7 | Low | 71.1 | Confident | 117 Ų | 117 | 67.1 Ų | 67.1 | 51% | 0.509 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -79 | -13.7 | 176.5 | -54.3 | -174.2 | 175.4 | -172.9 | 0 | 113.8 | K94 F95 E100 G101 | K94-K97 WeakPolarHBondContact O-CB 3.43Å; K94-K97 PolarHBondContact O-N 2.88Å; F95-K97 PolarHBondContact O-N 2.98Å; F95-K97 VanDerWaalsContact O-N 3.11Å; K97-E100 PolarHBondContact O-N 3.39Å; K97-G101 PolarHBondContact O-N 3.13Å |
| 98 | L | 72.7 | Confident | 72.2 | Confident | 3 Ų | 3 | 66.6 Ų | 66.6 | 2% | 0.016 | 36% | 0.363 | C | S | . | . | H | α-helix | trans | -63 | -52.1 | -179.1 | -164.3 | 91.8 | 0 | 0 | 0 | 110.8 | A69 V80 F95 G101 T102 L108 | A69-L98 HydrophobicContact CB-CD1 3.62Å; A69-L98 HydrophobicContact CB-CG 4.1Å; V80-L98 HydrophobicContact CB-CD2 4.24Å; V80-L98 HydrophobicContact CG1-CD2 4.1Å; V80-L98 HydrophobicContact CG2-CD2 4.04Å; F95-L98 WeakPolarHBondContact O-CB 3.48Å; F95-L98 PolarHBondContact O-N 3.15Å; L98-G101 PolarHBondContact O-N 2.82Å; L98-T102 WeakPolarHBondContact O-CG2 3.28Å; L98-T102 PolarHBondContact O-N 3.01Å; L98-L108 HydrophobicContact CD2-CD2 3.97Å |
| 99 | P | 70.1 | Confident | 73.4 | Confident | 34 Ų | 34 | 63.1 Ų | 63.1 | 22% | 0.221 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -64.1 | -41.4 | 175.9 | -19.9 | 35.2 | 0 | 0 | 0 | 112 | F95 T96 G101 T102 L108 | F95-P99 WeakPolarHBondContact O-CD 3.48Å; T96-P99 WeakPolarHBondContact O-CD 3.48Å; P99-G101 VanDerWaalsContact C-N 3.35Å; P99-G101 PolarHBondContact O-N 3.3Å; P99-T102 PolarHBondContact O-N 3.13Å; P99-T102 VanDerWaalsContact O-N 3.14Å; P99-T102 PolarHBondContact O-OG1 2.92Å; P99-L108 HydrophobicContact CG-CD1 3.62Å; P99-L108 HydrophobicContact CG-CD2 4.47Å; P99-L108 HydrophobicContact CG-CG 3.98Å |
| 100 | E | 71.3 | Confident | 74.5 | Confident | 144 Ų | 144 | 57.6 Ų | 57.6 | 67% | 0.673 | 32% | 0.318 | S | S | * | . | H | α-helix | trans | -57.7 | -46 | 177.8 | -64.6 | 175.4 | 171.2 | 0 | 0 | 111.7 | K97 T102 G103 | K97-E100 PolarHBondContact O-N 3.39Å; E100-T102 PolarHBondContact O-N 3.08Å; E100-G103 PolarHBondContact O-N 2.94Å |
| 101 | G | 65.8 | Low | 75.5 | Confident | 56 Ų | 56 | 52.4 Ų | 52.4 | 58% | 0.577 | 29% | 0.29 | S | S | * | . | H | α-helix | trans | -69 | -17.3 | 179.6 | 0 | 0 | 0 | 0 | 0 | 114.3 | K97 L98 P99 | K97-G101 PolarHBondContact O-N 3.13Å; L98-G101 PolarHBondContact O-N 2.82Å; P99-G101 VanDerWaalsContact C-N 3.35Å; P99-G101 PolarHBondContact O-N 3.3Å |
| 102 | T | 72 | Confident | 76.1 | Confident | 10 Ų | 10 | 52.3 Ų | 52.3 | 6% | 0.061 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -82.8 | -20.8 | 178 | 69.4 | 0 | 0 | 0 | 0 | 113.8 | A69 V72 T73 L98 P99 E100 R104 V106 | A69-T102 HydrophobicContact CB-CG2 4.44Å; V72-T102 HydrophobicContact CG1-CG2 4.36Å; T73-T102 WeakPolarHBondContact CG2-O 3.18Å; T73-T102 WeakPolarHBondContact OG1-CA 3.31Å; T73-T102 WeakPolarHBondContact OG1-CB 3.08Å; T73-T102 WeakPolarHBondContact OG1-CG2 3.49Å; L98-T102 WeakPolarHBondContact O-CG2 3.28Å; L98-T102 PolarHBondContact O-N 3.01Å; P99-T102 PolarHBondContact O-N 3.13Å; P99-T102 VanDerWaalsContact O-N 3.14Å; P99-T102 PolarHBondContact O-OG1 2.92Å; E100-T102 PolarHBondContact O-N 3.08Å; T102-R104 PolarHBondContact O-N 3.29Å; T102-R104 VanDerWaalsContact O-N 3.13Å; T102-R104 PolarHBondContact OG1-N 3.43Å; T102-R104 VanDerWaalsContact OG1-N 3.16Å; T102-R104 PolarHBondContact OG1-O 3.34Å; T102-V106 HydrophobicContact CG2-CG2 3.85Å |
| 103 | G | 72.8 | Confident | 76.9 | Confident | 74 Ų | 74 | 51.4 Ų | 51.4 | 76% | 0.763 | 29% | 0.285 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 60.4 | 14.6 | -169.7 | 0 | 0 | 0 | 0 | 0 | 113.9 | E100 | E100-G103 PolarHBondContact O-N 2.94Š|
| 104 | R | 77 | Confident | 77.6 | Confident | 154 Ų | 154 | 47.2 Ų | 47.2 | 58% | 0.581 | 27% | 0.265 | S | S | * | . | S | Bend | trans | -137.7 | 152.2 | -178.3 | -67.5 | -175.7 | 177 | -173 | -1.4 | 110.7 | T102 V106 | T102-R104 PolarHBondContact O-N 3.29Å; T102-R104 VanDerWaalsContact O-N 3.13Å; T102-R104 PolarHBondContact OG1-N 3.43Å; T102-R104 VanDerWaalsContact OG1-N 3.16Å; T102-R104 PolarHBondContact OG1-O 3.34Å; R104-V106 PolarHBondContact O-N 3.45Å; R104-V106 VanDerWaalsContact O-N 3.12Å |
| 105 | P | 83.9 | Confident | 78 | Confident | 121 Ų | 121 | 45.4 Ų | 45.4 | 79% | 0.786 | 26% | 0.256 | S | S | * | . | trans | -63.5 | 116 | 171.8 | -22.1 | 33.9 | 0 | 0 | 0 | 111 | ||||
| 106 | V | 88.7 | Confident | 78.4 | Confident | 10 Ų | 10 | 53.3 Ų | 53.3 | 6% | 0.061 | 29% | 0.291 | C | S | . | . | trans | -117.7 | 124.9 | 172 | 176.9 | 0 | 0 | 0 | 0 | 108.5 | V80 T102 R104 L108 | V80-V106 HydrophobicContact CB-CG1 4.28Å; V80-V106 HydrophobicContact CG2-CG1 3.7Å; T102-V106 HydrophobicContact CG2-CG2 3.85Å; R104-V106 PolarHBondContact O-N 3.45Å; R104-V106 VanDerWaalsContact O-N 3.12Å; V106-L108 HydrophobicContact CG1-CD2 4.14Å | ||
| 107 | M | 91.3 | Very high | 78.8 | Confident | 92 Ų | 92 | 57 Ų | 57 | 45% | 0.453 | 30% | 0.3 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.3 | 127.2 | 175.6 | -173.8 | 177.9 | -68.9 | 0 | 0 | 110.3 | V78 F79 V80 N135 L136 | V78-M107 PolarHBondContact O-N 2.91Å; F79-M107 CarbonylContact C-O 3.58Å; F79-M107 WeakPolarHBondContact CA-O 3.31Å; F79-M107 HydrophobicContact CD2-CB 3.87Å; F79-M107 HydrophobicContact CD2-CG 3.83Å; F79-M107 HydrophobicContact CD2-SD 3.64Å; F79-M107 HydrophobicContact CE2-CG 4.11Å; F79-M107 HydrophobicContact CE2-SD 3.75Å; V80-M107 PolarHBondContact N-O 3.18Å; M107-N135 VanDerWaalsContact CA-OD1 3.31Å; M107-N135 WeakPolarHBondContact CA-OD1 3.42Å; M107-N135 HydrophobicContact CG-CB 3.62Å; M107-L136 HydrophobicContact CG-CD2 3.65Å; M107-L136 HydrophobicContact SD-CD2 3.69Å |
| 108 | L | 90.3 | Very high | 79.1 | Confident | 0 Ų | 0 | 52.3 Ų | 52.3 | 0% | 0 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106 | 123.8 | 179.6 | -64.6 | -174.1 | 0 | 0 | 0 | 112.4 | V80 L82 L98 P99 V106 N135 L136 | V80-L108 HydrophobicContact CB-CD2 3.81Å; V80-L108 HydrophobicContact CG1-CD2 4.41Å; L82-L108 HydrophobicContact CD1-CD1 4.43Å; L82-L108 HydrophobicContact CD1-CD2 4.29Å; L98-L108 HydrophobicContact CD2-CD2 3.97Å; P99-L108 HydrophobicContact CG-CD1 3.62Å; P99-L108 HydrophobicContact CG-CD2 4.47Å; P99-L108 HydrophobicContact CG-CG 3.98Å; V106-L108 HydrophobicContact CG1-CD2 4.14Å; L108-N135 PolarHBondContact N-OD1 3.12Å; L108-N135 PolarHBondContact O-N 3.35Å; L108-L136 WeakPolarHBondContact O-CD2 3.11Å; L108-L136 PolarHBondContact O-N 3.31Å; L108-L136 VanDerWaalsContact O-N 3.13Å |
| 109 | L | 91.3 | Very high | 79.3 | Confident | 2 Ų | 2 | 54.2 Ų | 54.2 | 1% | 0.01 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.2 | 111.8 | 165.6 | 168.3 | 56.3 | 0 | 0 | 0 | 110.2 | F79 V80 K81 L82 L136 D175 | F79-L109 HydrophobicContact CE1-CB 4.2Å; F79-L109 HydrophobicContact CE1-CD2 4.5Å; F79-L109 HydrophobicContact CE2-CB 4.46Å; F79-L109 HydrophobicContact CZ-CB 3.69Å; F79-L109 HydrophobicContact CZ-CD2 4.06Å; V80-L109 PolarHBondContact O-N 2.94Å; K81-L109 HydrophobicContact CB-CB 4.44Å; K81-L109 HydrophobicContact CB-CD2 4.25Å; K81-L109 HydrophobicContact CD-CD2 4.28Å; K81-L109 HydrophobicContact CG-CD2 3.88Å; K81-L109 HydrophobicContact CG-CG 4.17Å; L82-L109 PolarHBondContact N-O 2.99Å; L109-L136 WeakPolarHBondContact CA-O 3.43Å; L109-L136 HydrophobicContact CB-CD1 3.9Å; L109-L136 HydrophobicContact CB-CD2 4.05Å; L109-L136 HydrophobicContact CB-CG 3.7Å; L109-L136 HydrophobicContact CD1-CB 4.38Å; L109-L136 HydrophobicContact CD1-CD1 3.69Å; L109-L136 HydrophobicContact CD1-CG 3.67Å; L109-L136 HydrophobicContact CD2-CD1 4.15Å; L109-L136 HydrophobicContact CG-CD1 4.09Å; L109-L136 HydrophobicContact CG-CG 4.18Å; L109-D175 HydrophobicContact CD1-CB 4.15Å; L109-D175 VanDerWaalsContact CD1-OD2 3.28Å; L109-D175 WeakPolarHBondContact CD1-OD2 3.45Å; L109-D175 WeakPolarHBondContact CD2-OD2 3.47Å |
| 110 | C | 87.8 | Confident | 79.6 | Confident | 4 Ų | 4 | 57 Ų | 57 | 3% | 0.027 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.5 | 121.2 | -179 | -64.2 | 0 | 0 | 0 | 0 | 111.2 | Y112 L130 C134 L136 W137 R138 | C110-Y112 HydrophobicContact CB-CD1 4.24Å; C110-Y112 HydrophobicContact CB-CE1 4.45Å; C110-L130 HydrophobicContact CB-CD1 4.03Å; C110-C134 HydrophobicContact CB-CB 3.78Å; C110-C134 WeakPolarHBondContact CB-SG 3.48Å; C110-C134 WeakPolarHBondContact SG-CB 3.24Å; C110-C134 CovalentContact SG-SG 2.02Å; C110-C134 PolarHBondContact SG-SG 2.87Å; C110-L136 PolarHBondContact N-O 2.81Å; C110-W137 HydrophobicContact CB-CB 4.44Å; C110-W137 CarbonylContact O-C 3.45Å; C110-W137 WeakPolarHBondContact O-CA 3.08Å; C110-W137 WeakPolarHBondContact O-CB 3.46Å; C110-R138 PolarHBondContact O-N 3.43Å |
| 111 | T | 86.8 | Confident | 79.7 | Confident | 1 Ų | 1 | 52.9 Ų | 52.9 | 1% | 0.006 | 29% | 0.288 | C | S | . | . | trans | -95 | -12 | -175 | 61 | 0 | 0 | 0 | 0 | 114.3 | K81 L82 H83 A84 P113 E114 | K81-T111 HydrophobicContact CG-CG2 4.11Å; L82-T111 WeakPolarHBondContact O-CB 3.37Å; L82-T111 WeakPolarHBondContact O-CG2 3.41Å; L82-T111 PolarHBondContact O-N 3.48Å; L82-T111 PolarHBondContact O-OG1 3.35Å; H83-T111 VanDerWaalsContact CA-OG1 3.28Å; H83-T111 WeakPolarHBondContact CA-OG1 3.31Å; A84-T111 WeakPolarHBondContact CB-OG1 3.46Å; A84-T111 PolarHBondContact N-OG1 2.82Å; T111-P113 VanDerWaalsContact C-N 3.3Å; T111-P113 VanDerWaalsContact O-CD 3.31Å; T111-P113 WeakPolarHBondContact O-CD 3.48Å; T111-E114 WeakPolarHBondContact CB-OE1 3.46Å; T111-E114 VanDerWaalsContact O-CB 3.29Å; T111-E114 WeakPolarHBondContact O-CB 3.41Å; T111-E114 WeakPolarHBondContact O-CG 3.33Å; T111-E114 PolarHBondContact O-N 3.46Å | ||
| 112 | Y | 79.7 | Confident | 80.1 | Confident | 16 Ų | 16 | 53 Ų | 53 | 6% | 0.063 | 28% | 0.281 | C | S | . | . | G | 310 helix | trans | -52.8 | -32.7 | -174.1 | 84.2 | -96.7 | 0 | 0 | 0 | 116.7 | A84 F92 C110 E114 Y115 W118 F125 L130 | A84-Y112 VanDerWaalsContact CB-CB 3.45Å; A84-Y112 VanDerWaalsContact CB-N 3.33Å; F92-Y112 AromaticContact CD1-CD1 3.93Å; F92-Y112 HydrophobicContact CD1-CD1 3.93Å; F92-Y112 HydrophobicContact CD1-CE1 4.38Å; F92-Y112 HydrophobicContact CD1-CG 4.5Å; F92-Y112 AromaticContact CE1-CD1 3.5Å; F92-Y112 HydrophobicContact CE1-CD1 3.5Å; F92-Y112 HydrophobicContact CE1-CE1 4.37Å; F92-Y112 AromaticContact CE1-CG 3.76Å; F92-Y112 HydrophobicContact CE1-CG 3.76Å; F92-Y112 HydrophobicContact CE2-CD1 4.38Å; F92-Y112 HydrophobicContact CE2-CD2 4.39Å; F92-Y112 HydrophobicContact CE2-CG 4.06Å; F92-Y112 AromaticContact CZ-CD1 3.78Å; F92-Y112 HydrophobicContact CZ-CD1 3.78Å; F92-Y112 HydrophobicContact CZ-CD2 4.26Å; F92-Y112 AromaticContact CZ-CG 3.52Å; F92-Y112 HydrophobicContact CZ-CG 3.52Å; C110-Y112 HydrophobicContact CB-CD1 4.24Å; C110-Y112 HydrophobicContact CB-CE1 4.45Å; Y112-E114 PolarHBondContact O-N 3.23Å; Y112-E114 VanDerWaalsContact O-N 3.11Å; Y112-Y115 PolarHBondContact O-N 3.48Å; Y112-W118 HydrophobicContact CD2-CB 4.5Å; Y112-W118 AromaticContact CD2-CD1 3.68Å; Y112-W118 AromaticContact CD2-CD2 3.63Å; Y112-W118 HydrophobicContact CD2-CD2 3.63Å; Y112-W118 AromaticContact CD2-CE2 3.57Å; Y112-W118 HydrophobicContact CD2-CE3 4.31Å; Y112-W118 AromaticContact CD2-CG 3.7Å; Y112-W118 HydrophobicContact CD2-CG 3.7Å; Y112-W118 HydrophobicContact CD2-CZ2 4.19Å; Y112-W118 AromaticContact CD2-NE1 3.59Å; Y112-W118 AromaticContact CE2-CD2 3.96Å; Y112-W118 HydrophobicContact CE2-CD2 3.96Å; Y112-W118 HydrophobicContact CE2-CE3 4.16Å; Y112-W118 HydrophobicContact CE2-CG 4.34Å; Y112-W118 HydrophobicContact CE2-CZ2 4.44Å; Y112-W118 HydrophobicContact CE2-CZ3 4.48Å; Y112-F125 AromaticContact CD2-CE2 3.84Å; Y112-F125 HydrophobicContact CD2-CE2 3.84Å; Y112-F125 AromaticContact CE2-CD2 3.75Å; Y112-F125 HydrophobicContact CE2-CD2 3.75Å; Y112-F125 AromaticContact CE2-CE2 3.03Å; Y112-F125 HydrophobicContact CE2-CE2 3.03Å; Y112-F125 AromaticContact CE2-CZ 3.54Å; Y112-F125 HydrophobicContact CE2-CZ 3.54Å; Y112-F125 AromaticContact CZ-CE2 3.55Å; Y112-F125 AromaticContact CZ-CZ 3.49Å; Y112-F125 VanDerWaalsContact CZ-CZ 3.49Å; Y112-F125 WeakPolarHBondContact OH-CZ 3.39Å; Y112-L130 HydrophobicContact CD1-CD1 4.36Å; Y112-L130 HydrophobicContact CE1-CD1 3.34Å; Y112-L130 WeakPolarHBondContact OH-CD1 3.38Å |
| 113 | P | 81.1 | Confident | 80.2 | Confident | 2 Ų | 2 | 62.3 Ų | 62.3 | 1% | 0.013 | 32% | 0.32 | C | S | . | . | G | 310 helix | trans | -63.9 | -19.9 | 178.9 | -17.9 | 33.3 | 0 | 0 | 0 | 112.6 | T111 Y115 I119 F125 L130 W137 | T111-P113 VanDerWaalsContact C-N 3.3Å; T111-P113 VanDerWaalsContact O-CD 3.31Å; T111-P113 WeakPolarHBondContact O-CD 3.48Å; P113-Y115 VanDerWaalsContact C-N 3.3Å; P113-Y115 PolarHBondContact O-N 2.86Å; P113-I119 WeakPolarHBondContact O-CG1 3.33Å; P113-F125 HydrophobicContact CB-CE2 3.57Å; P113-F125 HydrophobicContact CB-CZ 3.83Å; P113-F125 HydrophobicContact CG-CE2 3.6Å; P113-F125 HydrophobicContact CG-CZ 3.51Å; P113-L130 HydrophobicContact CG-CD2 4.41Å; P113-W137 HydrophobicContact CG-CB 4.15Å |
| 114 | E | 79.9 | Confident | 80.3 | Confident | 18 Ų | 18 | 63.3 Ų | 63.3 | 8% | 0.084 | 31% | 0.307 | C | S | . | . | G | 310 helix | trans | -75.2 | -17 | 177.2 | 91.9 | -163.9 | 173.8 | 0 | 0 | 113.5 | T111 Y112 I119 R138 R144 | T111-E114 WeakPolarHBondContact CB-OE1 3.46Å; T111-E114 VanDerWaalsContact O-CB 3.29Å; T111-E114 WeakPolarHBondContact O-CB 3.41Å; T111-E114 WeakPolarHBondContact O-CG 3.33Å; T111-E114 PolarHBondContact O-N 3.46Å; Y112-E114 PolarHBondContact O-N 3.23Å; Y112-E114 VanDerWaalsContact O-N 3.11Å; E114-I119 WeakPolarHBondContact O-CD1 3.38Å; E114-R138 HydrophobicContact CB-CB 4.09Å; E114-R138 HydrophobicContact CB-CG 3.9Å; E114-R138 WeakPolarHBondContact OE2-CB 3.36Å; E114-R138 WeakPolarHBondContact OE2-CD 3.41Å; E114-R138 WeakPolarHBondContact OE2-CG 3.41Å; E114-R144 IonicContact OE1-NH2 2.89Å; E114-R144 IonicContact OE2-CZ 3.4Å; E114-R144 IonicContact OE2-NH2 3.78Å; E114-R144 PolarHBondContact OE2-NH2 2.77Å |
| 115 | Y | 76.8 | Confident | 80.2 | Confident | 47 Ų | 47 | 57 Ų | 57 | 18% | 0.184 | 28% | 0.284 | C | S | . | . | S | Bend | trans | -81.8 | 138.5 | -172.9 | -75.9 | -96.5 | 0 | 0 | 0 | 111 | H83 A84 C85 Y112 P113 Y117 W118 I119 | H83-Y115 PolarHBondContact CD2-OH 3.22Å; H83-Y115 PolarHBondContact CE1-OH 3.3Å; H83-Y115 PolarHBondContact NE2-OH 2.58Å; A84-Y115 VanDerWaalsContact C-CZ 3.48Å; A84-Y115 HydrophobicContact CB-CD2 3.86Å; A84-Y115 HydrophobicContact CB-CE2 3.53Å; A84-Y115 PolarHBondContact N-OH 2.88Å; C85-Y115 VanDerWaalsContact CA-CE1 3.47Å; C85-Y115 HydrophobicContact CB-CE1 3.92Å; C85-Y115 PolarHBondContact N-OH 3.26Å; C85-Y115 PolarHBondContact SG-OH 3.31Å; Y112-Y115 PolarHBondContact O-N 3.48Å; P113-Y115 VanDerWaalsContact C-N 3.3Å; P113-Y115 PolarHBondContact O-N 2.86Å; Y115-Y117 PolarHBondContact O-N 3.34Å; Y115-W118 PolarHBondContact O-N 3.47Å; Y115-I119 PolarHBondContact O-N 2.9Å; Y115-I119 VanDerWaalsContact O-N 3.08Å |
| 116 | K | 73.9 | Confident | 80 | Confident | 169 Ų | 169 | 55 Ų | 55 | 74% | 0.735 | 27% | 0.267 | S | S | * | . | H | α-helix | trans | -46 | -42.8 | -176.1 | -173.4 | 174.9 | -178.3 | 176.9 | 0 | 113.4 | W118 I119 T120 | K116-W118 VanDerWaalsContact C-N 3.33Å; K116-W118 PolarHBondContact O-N 3.12Å; K116-I119 PolarHBondContact O-N 2.8Å; K116-T120 HydrophobicContact CG-CG2 4.18Å; K116-T120 WeakPolarHBondContact O-CG2 3.31Å; K116-T120 PolarHBondContact O-N 3.07Å; K116-T120 PolarHBondContact O-OG1 3.43Å |
| 117 | Y | 74.4 | Confident | 79.6 | Confident | 124 Ų | 124 | 56.1 Ų | 56.1 | 49% | 0.486 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -55.2 | -46.3 | 177.3 | 175.4 | -95.8 | 0 | 0 | 0 | 112.6 | Y115 T120 N121 | Y115-Y117 PolarHBondContact O-N 3.34Å; Y117-T120 PolarHBondContact O-OG1 3.33Å; Y117-T120 VanDerWaalsContact O-OG1 3.1Å; Y117-N121 VanDerWaalsContact O-CB 3.26Å; Y117-N121 WeakPolarHBondContact O-CB 3.44Å; Y117-N121 PolarHBondContact O-N 2.81Å; Y117-N121 PolarHBondContact O-ND2 3.34Å |
| 118 | W | 74.6 | Confident | 79.1 | Confident | 17 Ų | 17 | 58.9 Ų | 58.9 | 6% | 0.064 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -75.5 | -33.9 | -179.2 | -66.1 | 104.8 | 0 | 0 | 0 | 112.2 | K89 F92 Y112 Y115 K116 N121 S122 F125 | K89-W118 HydrophobicContact CB-CH2 4.13Å; K89-W118 HydrophobicContact CG-CH2 4.36Å; F92-W118 HydrophobicContact CD2-CZ2 4.41Å; F92-W118 AromaticContact CE2-CZ2 3.89Å; F92-W118 HydrophobicContact CE2-CZ2 3.89Å; Y112-W118 HydrophobicContact CD2-CB 4.5Å; Y112-W118 AromaticContact CD2-CD1 3.68Å; Y112-W118 AromaticContact CD2-CD2 3.63Å; Y112-W118 HydrophobicContact CD2-CD2 3.63Å; Y112-W118 AromaticContact CD2-CE2 3.57Å; Y112-W118 HydrophobicContact CD2-CE3 4.31Å; Y112-W118 AromaticContact CD2-CG 3.7Å; Y112-W118 HydrophobicContact CD2-CG 3.7Å; Y112-W118 HydrophobicContact CD2-CZ2 4.19Å; Y112-W118 AromaticContact CD2-NE1 3.59Å; Y112-W118 AromaticContact CE2-CD2 3.96Å; Y112-W118 HydrophobicContact CE2-CD2 3.96Å; Y112-W118 HydrophobicContact CE2-CE3 4.16Å; Y112-W118 HydrophobicContact CE2-CG 4.34Å; Y112-W118 HydrophobicContact CE2-CZ2 4.44Å; Y112-W118 HydrophobicContact CE2-CZ3 4.48Å; Y115-W118 PolarHBondContact O-N 3.47Å; K116-W118 VanDerWaalsContact C-N 3.33Å; K116-W118 PolarHBondContact O-N 3.12Å; W118-N121 CarbonylContact O-C 3.48Å; W118-N121 VanDerWaalsContact O-C 3.32Å; W118-N121 PolarHBondContact O-N 3.44Å; W118-S122 VanDerWaalsContact O-CA 3.31Å; W118-S122 WeakPolarHBondContact O-CA 3.35Å; W118-S122 PolarHBondContact O-N 3.23Å; W118-F125 HydrophobicContact CB-CD2 4.5Å; W118-F125 HydrophobicContact CE3-CD2 4.06Å |
| 119 | I | 75.1 | Confident | 78.7 | Confident | 43 Ų | 43 | 61.5 Ų | 61.5 | 22% | 0.221 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -62.4 | -48.1 | 173.1 | -58.9 | -177.1 | 0 | 0 | 0 | 110.4 | P113 E114 Y115 K116 N121 P140 | P113-I119 WeakPolarHBondContact O-CG1 3.33Å; E114-I119 WeakPolarHBondContact O-CD1 3.38Å; Y115-I119 PolarHBondContact O-N 2.9Å; Y115-I119 VanDerWaalsContact O-N 3.08Å; K116-I119 PolarHBondContact O-N 2.8Å; I119-N121 VanDerWaalsContact C-N 3.32Å; I119-N121 PolarHBondContact O-N 3.41Å; I119-P140 HydrophobicContact CD1-CB 4.03Å; I119-P140 HydrophobicContact CG1-CB 4.01Å |
| 120 | T | 76.5 | Confident | 78.2 | Confident | 94 Ų | 94 | 61.5 Ų | 61.5 | 58% | 0.577 | 29% | 0.289 | S | S | * | . | H | α-helix | trans | -72.7 | -25.9 | -179.4 | 57.4 | 0 | 0 | 0 | 0 | 113.1 | K116 Y117 | K116-T120 HydrophobicContact CG-CG2 4.18Å; K116-T120 WeakPolarHBondContact O-CG2 3.31Å; K116-T120 PolarHBondContact O-N 3.07Å; K116-T120 PolarHBondContact O-OG1 3.43Å; Y117-T120 PolarHBondContact O-OG1 3.33Å; Y117-T120 VanDerWaalsContact O-OG1 3.1Å |
| 121 | N | 74.4 | Confident | 78 | Confident | 57 Ų | 57 | 65 Ų | 65 | 31% | 0.305 | 31% | 0.305 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -111.3 | 38.9 | 179.1 | -61.6 | -84.6 | 0 | 0 | 0 | 111.5 | Y117 W118 I119 K123 L124 | Y117-N121 VanDerWaalsContact O-CB 3.26Å; Y117-N121 WeakPolarHBondContact O-CB 3.44Å; Y117-N121 PolarHBondContact O-N 2.81Å; Y117-N121 PolarHBondContact O-ND2 3.34Å; W118-N121 CarbonylContact O-C 3.48Å; W118-N121 VanDerWaalsContact O-C 3.32Å; W118-N121 PolarHBondContact O-N 3.44Å; I119-N121 VanDerWaalsContact C-N 3.32Å; I119-N121 PolarHBondContact O-N 3.41Å; N121-K123 PolarHBondContact O-N 3.12Å; N121-L124 HydrophobicContact CB-CB 4.39Å; N121-L124 HydrophobicContact CB-CD1 3.71Å; N121-L124 HydrophobicContact CB-CG 3.97Å; N121-L124 VanDerWaalsContact O-CB 3.32Å; N121-L124 WeakPolarHBondContact O-CB 3.31Å; N121-L124 PolarHBondContact O-N 2.91Å |
| 122 | S | 74.2 | Confident | 77.8 | Confident | 59 Ų | 59 | 73.7 Ų | 73.7 | 41% | 0.413 | 34% | 0.343 | S | S | . | . | G | 310 helix | trans | -55.8 | -27 | -176 | 62.2 | 0 | 0 | 0 | 0 | 113.5 | W118 L124 F125 | W118-S122 VanDerWaalsContact O-CA 3.31Å; W118-S122 WeakPolarHBondContact O-CA 3.35Å; W118-S122 PolarHBondContact O-N 3.23Å; S122-L124 PolarHBondContact O-N 3.36Å; S122-F125 WeakPolarHBondContact O-CB 3.3Å; S122-F125 PolarHBondContact O-N 3.25Å |
| 123 | K | 74.9 | Confident | 77.9 | Confident | 205 Ų | 205 | 74 Ų | 74 | 89% | 0.891 | 35% | 0.347 | S | S | * | . | G | 310 helix | trans | -65.2 | -23.9 | 173.4 | -63.9 | -176 | -179.4 | -179.7 | 0 | 114.1 | N121 | N121-K123 PolarHBondContact O-N 3.12Š|
| 124 | L | 73.4 | Confident | 78.2 | Confident | 95 Ų | 95 | 74.2 Ų | 74.2 | 50% | 0.497 | 35% | 0.348 | S | S | . | . | G | 310 helix | trans | -80.6 | -6.1 | 174.8 | -57.5 | -176.2 | 0 | 0 | 0 | 112.2 | N121 S122 D126 | N121-L124 HydrophobicContact CB-CB 4.39Å; N121-L124 HydrophobicContact CB-CD1 3.71Å; N121-L124 HydrophobicContact CB-CG 3.97Å; N121-L124 VanDerWaalsContact O-CB 3.32Å; N121-L124 WeakPolarHBondContact O-CB 3.31Å; N121-L124 PolarHBondContact O-N 2.91Å; S122-L124 PolarHBondContact O-N 3.36Å; L124-D126 PolarHBondContact O-N 2.79Å |
| 125 | F | 75.1 | Confident | 78.7 | Confident | 22 Ų | 22 | 76 Ų | 76 | 10% | 0.096 | 36% | 0.358 | C | S | . | . | trans | -79.1 | 116.3 | -171.6 | -160 | -78.2 | 0 | 0 | 0 | 111.2 | Y112 P113 W118 S122 W127 L130 | Y112-F125 AromaticContact CD2-CE2 3.84Å; Y112-F125 HydrophobicContact CD2-CE2 3.84Å; Y112-F125 AromaticContact CE2-CD2 3.75Å; Y112-F125 HydrophobicContact CE2-CD2 3.75Å; Y112-F125 AromaticContact CE2-CE2 3.03Å; Y112-F125 HydrophobicContact CE2-CE2 3.03Å; Y112-F125 AromaticContact CE2-CZ 3.54Å; Y112-F125 HydrophobicContact CE2-CZ 3.54Å; Y112-F125 AromaticContact CZ-CE2 3.55Å; Y112-F125 AromaticContact CZ-CZ 3.49Å; Y112-F125 VanDerWaalsContact CZ-CZ 3.49Å; Y112-F125 WeakPolarHBondContact OH-CZ 3.39Å; P113-F125 HydrophobicContact CB-CE2 3.57Å; P113-F125 HydrophobicContact CB-CZ 3.83Å; P113-F125 HydrophobicContact CG-CE2 3.6Å; P113-F125 HydrophobicContact CG-CZ 3.51Å; W118-F125 HydrophobicContact CB-CD2 4.5Å; W118-F125 HydrophobicContact CE3-CD2 4.06Å; S122-F125 WeakPolarHBondContact O-CB 3.3Å; S122-F125 PolarHBondContact O-N 3.25Å; F125-W127 HydrophobicContact CD1-CB 4.17Å; F125-W127 AromaticContact CD1-CD1 3.49Å; F125-W127 VanDerWaalsContact CD1-CD1 3.49Å; F125-W127 AromaticContact CD1-CD2 3.31Å; F125-W127 HydrophobicContact CD1-CD2 3.31Å; F125-W127 AromaticContact CD1-CE2 3.43Å; F125-W127 VanDerWaalsContact CD1-CE2 3.43Å; F125-W127 AromaticContact CD1-CE3 3.94Å; F125-W127 HydrophobicContact CD1-CE3 3.94Å; F125-W127 AromaticContact CD1-CG 3.38Å; F125-W127 HydrophobicContact CD1-CG 3.38Å; F125-W127 HydrophobicContact CD1-CZ2 4.12Å; F125-W127 AromaticContact CD1-NE1 3.53Å; F125-W127 HydrophobicContact CE1-CB 4.25Å; F125-W127 AromaticContact CE1-CD2 3.26Å; F125-W127 HydrophobicContact CE1-CD2 3.26Å; F125-W127 AromaticContact CE1-CE2 3.72Å; F125-W127 AromaticContact CE1-CE3 3.36Å; F125-W127 HydrophobicContact CE1-CE3 3.36Å; F125-W127 AromaticContact CE1-CG 3.66Å; F125-W127 HydrophobicContact CE1-CG 3.66Å; F125-W127 HydrophobicContact CE1-CH2 4.25Å; F125-W127 HydrophobicContact CE1-CZ2 4.2Å; F125-W127 AromaticContact CE1-CZ3 3.86Å; F125-W127 HydrophobicContact CE1-CZ3 3.86Å; F125-W127 HydrophobicContact CG-CD2 4.4Å; F125-W127 HydrophobicContact CZ-CD2 4.32Å; F125-W127 HydrophobicContact CZ-CE3 4.13Å; F125-W127 HydrophobicContact CZ-CH2 4.48Å; F125-W127 HydrophobicContact CZ-CZ3 4.2Å; F125-W127 PolarHBondContact O-N 2.9Å; F125-L130 HydrophobicContact CE1-CB 4.22Å; F125-L130 HydrophobicContact CE1-CD2 3.82Å; F125-L130 HydrophobicContact CZ-CD2 3.71Å | ||
| 126 | D | 80.3 | Confident | 79.4 | Confident | 79 Ų | 79 | 74 Ų | 74 | 42% | 0.422 | 35% | 0.35 | S | S | . | . | trans | -90.9 | 91.8 | 171.4 | -173.3 | -13.8 | 0 | 0 | 0 | 110.3 | L124 K128 R129 L130 | L124-D126 PolarHBondContact O-N 2.79Å; D126-K128 VanDerWaalsContact C-N 3.32Å; D126-K128 PolarHBondContact O-N 2.85Å; D126-K128 PolarHBondContact OD1-N 2.71Å; D126-K128 VanDerWaalsContact OD1-N 3.08Å; D126-R129 HydrophobicContact CB-CB 3.83Å; D126-R129 WeakPolarHBondContact O-CB 3.47Å; D126-R129 PolarHBondContact O-N 3.02Å; D126-R129 PolarHBondContact OD1-N 3.18Å; D126-R129 WeakPolarHBondContact OD2-CB 3.31Å; D126-L130 PolarHBondContact O-N 3.42Å; D126-L130 VanDerWaalsContact O-N 3.12Å | ||
| 127 | W | 79.7 | Confident | 80.1 | Confident | 33 Ų | 33 | 65.9 Ų | 65.9 | 13% | 0.125 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -67.9 | -28.7 | 179.2 | -67.7 | 99.4 | 0 | 0 | 0 | 114 | F125 R129 L130 Q131 W137 D163 P165 V167 | F125-W127 HydrophobicContact CD1-CB 4.17Å; F125-W127 AromaticContact CD1-CD1 3.49Å; F125-W127 VanDerWaalsContact CD1-CD1 3.49Å; F125-W127 AromaticContact CD1-CD2 3.31Å; F125-W127 HydrophobicContact CD1-CD2 3.31Å; F125-W127 AromaticContact CD1-CE2 3.43Å; F125-W127 VanDerWaalsContact CD1-CE2 3.43Å; F125-W127 AromaticContact CD1-CE3 3.94Å; F125-W127 HydrophobicContact CD1-CE3 3.94Å; F125-W127 AromaticContact CD1-CG 3.38Å; F125-W127 HydrophobicContact CD1-CG 3.38Å; F125-W127 HydrophobicContact CD1-CZ2 4.12Å; F125-W127 AromaticContact CD1-NE1 3.53Å; F125-W127 HydrophobicContact CE1-CB 4.25Å; F125-W127 AromaticContact CE1-CD2 3.26Å; F125-W127 HydrophobicContact CE1-CD2 3.26Å; F125-W127 AromaticContact CE1-CE2 3.72Å; F125-W127 AromaticContact CE1-CE3 3.36Å; F125-W127 HydrophobicContact CE1-CE3 3.36Å; F125-W127 AromaticContact CE1-CG 3.66Å; F125-W127 HydrophobicContact CE1-CG 3.66Å; F125-W127 HydrophobicContact CE1-CH2 4.25Å; F125-W127 HydrophobicContact CE1-CZ2 4.2Å; F125-W127 AromaticContact CE1-CZ3 3.86Å; F125-W127 HydrophobicContact CE1-CZ3 3.86Å; F125-W127 HydrophobicContact CG-CD2 4.4Å; F125-W127 HydrophobicContact CZ-CD2 4.32Å; F125-W127 HydrophobicContact CZ-CE3 4.13Å; F125-W127 HydrophobicContact CZ-CH2 4.48Å; F125-W127 HydrophobicContact CZ-CZ3 4.2Å; F125-W127 PolarHBondContact O-N 2.9Å; W127-R129 VanDerWaalsContact C-N 3.34Å; W127-L130 HydrophobicContact CE3-CD2 4.01Å; W127-L130 HydrophobicContact CZ3-CD2 4.23Å; W127-L130 WeakPolarHBondContact O-CB 3.5Å; W127-L130 PolarHBondContact O-N 2.82Å; W127-Q131 PolarHBondContact O-N 2.78Å; W127-W137 AromaticContact CZ3-NE1 3.69Å; W127-D163 PolarHBondContact NE1-O 2.75Å; W127-P165 HydrophobicContact CB-CG 3.08Å; W127-P165 VanDerWaalsContact CD1-CG 3.42Å; W127-P165 HydrophobicContact CD2-CG 3.97Å; W127-P165 HydrophobicContact CG-CG 3.2Å; W127-V167 HydrophobicContact CB-CG1 4.15Å; W127-V167 HydrophobicContact CB-CG2 4.05Å; W127-V167 HydrophobicContact CE3-CG2 4.1Å |
| 128 | K | 81.6 | Confident | 80.8 | Confident | 150 Ų | 150 | 60.3 Ų | 60.3 | 65% | 0.652 | 29% | 0.293 | S | S | * | . | H | α-helix | trans | -69.8 | -38.1 | 176 | -72.7 | -175.9 | 178 | 178.8 | 0 | 110.2 | D126 Q131 K132 V167 | D126-K128 VanDerWaalsContact C-N 3.32Å; D126-K128 PolarHBondContact O-N 2.85Å; D126-K128 PolarHBondContact OD1-N 2.71Å; D126-K128 VanDerWaalsContact OD1-N 3.08Å; K128-Q131 WeakPolarHBondContact O-CB 3.33Å; K128-Q131 PolarHBondContact O-N 3.13Å; K128-K132 WeakPolarHBondContact O-CG 3.37Å; K128-K132 PolarHBondContact O-N 2.93Å; K128-K132 VanDerWaalsContact O-N 3.14Å; K128-V167 HydrophobicContact CG-CG1 4.5Å |
| 129 | R | 80.6 | Confident | 81.2 | Confident | 55 Ų | 55 | 60 Ų | 60 | 21% | 0.208 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -62.7 | -42.8 | 172.5 | 176.6 | 177.8 | 172.8 | 154.2 | -2.8 | 111.8 | K89 E93 D126 W127 Q131 K132 T133 | K89-R129 PolarHBondContact O-NH2 2.92Å; E93-R129 VanDerWaalsContact CD-NH2 3.32Å; E93-R129 IonicContact OE1-CZ 3.57Å; E93-R129 IonicContact OE1-NH1 3.49Å; E93-R129 PolarHBondContact OE1-NH1 3.41Å; E93-R129 IonicContact OE1-NH2 3.08Å; E93-R129 PolarHBondContact OE1-NH2 3.37Å; D126-R129 HydrophobicContact CB-CB 3.83Å; D126-R129 WeakPolarHBondContact O-CB 3.47Å; D126-R129 PolarHBondContact O-N 3.02Å; D126-R129 PolarHBondContact OD1-N 3.18Å; D126-R129 WeakPolarHBondContact OD2-CB 3.31Å; W127-R129 VanDerWaalsContact C-N 3.34Å; R129-Q131 PolarHBondContact O-N 3.29Å; R129-K132 PolarHBondContact O-N 3.04Å; R129-T133 WeakPolarHBondContact O-CB 3.35Å; R129-T133 PolarHBondContact O-N 3.3Å; R129-T133 PolarHBondContact O-OG1 3.06Å |
| 130 | L | 81.5 | Confident | 81.1 | Confident | 1 Ų | 1 | 58.8 Ų | 58.8 | 1% | 0.005 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -58.3 | -47.6 | 174.2 | -177.1 | 74 | 0 | 0 | 0 | 111.6 | C110 Y112 P113 F125 D126 W127 K132 T133 C134 W137 | C110-L130 HydrophobicContact CB-CD1 4.03Å; Y112-L130 HydrophobicContact CD1-CD1 4.36Å; Y112-L130 HydrophobicContact CE1-CD1 3.34Å; Y112-L130 WeakPolarHBondContact OH-CD1 3.38Å; P113-L130 HydrophobicContact CG-CD2 4.41Å; F125-L130 HydrophobicContact CE1-CB 4.22Å; F125-L130 HydrophobicContact CE1-CD2 3.82Å; F125-L130 HydrophobicContact CZ-CD2 3.71Å; D126-L130 PolarHBondContact O-N 3.42Å; D126-L130 VanDerWaalsContact O-N 3.12Å; W127-L130 HydrophobicContact CE3-CD2 4.01Å; W127-L130 HydrophobicContact CZ3-CD2 4.23Å; W127-L130 WeakPolarHBondContact O-CB 3.5Å; W127-L130 PolarHBondContact O-N 2.82Å; L130-K132 VanDerWaalsContact C-N 3.25Å; L130-K132 PolarHBondContact O-N 3.11Å; L130-T133 PolarHBondContact O-N 3.29Å; L130-C134 HydrophobicContact CD1-CB 3.95Å; L130-C134 WeakPolarHBondContact CD1-SG 3.43Å; L130-C134 HydrophobicContact CG-CB 4.41Å; L130-C134 PolarHBondContact O-N 3.48Å; L130-W137 HydrophobicContact CD1-CB 4.07Å; L130-W137 HydrophobicContact CD1-CE3 4.43Å; L130-W137 HydrophobicContact CD2-CB 3.76Å; L130-W137 HydrophobicContact CD2-CD2 3.2Å; L130-W137 HydrophobicContact CD2-CE3 3.46Å; L130-W137 VanDerWaalsContact CD2-CE3 3.46Å; L130-W137 HydrophobicContact CD2-CG 3.33Å; L130-W137 HydrophobicContact CD2-CZ2 4.39Å; L130-W137 HydrophobicContact CD2-CZ3 4.13Å; L130-W137 HydrophobicContact CG-CB 4.3Å; L130-W137 HydrophobicContact CG-CD2 3.92Å; L130-W137 HydrophobicContact CG-CE3 3.64Å; L130-W137 HydrophobicContact CG-CG 4.21Å; L130-W137 HydrophobicContact CG-CZ3 4.22Å |
| 131 | Q | 84.1 | Confident | 80.8 | Confident | 77 Ų | 77 | 54.8 Ų | 54.8 | 36% | 0.36 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -57.3 | -36.7 | 177.9 | -164.7 | -173.9 | 31.4 | 0 | 0 | 112.8 | W127 K128 R129 T133 V167 C172 | W127-Q131 PolarHBondContact O-N 2.78Å; K128-Q131 WeakPolarHBondContact O-CB 3.33Å; K128-Q131 PolarHBondContact O-N 3.13Å; R129-Q131 PolarHBondContact O-N 3.29Å; Q131-T133 VanDerWaalsContact C-N 3.33Å; Q131-V167 HydrophobicContact CB-CB 4.12Å; Q131-V167 HydrophobicContact CB-CG1 4.42Å; Q131-V167 HydrophobicContact CG-CB 4.17Å; Q131-V167 PolarHBondContact NE2-O 3.29Å; Q131-C172 HydrophobicContact CG-CB 3.92Å; Q131-C172 WeakPolarHBondContact CG-SG 3.4Å; Q131-C172 PolarHBondContact O-SG 3.46Å |
| 132 | K | 83 | Confident | 79.9 | Confident | 185 Ų | 185 | 56.4 Ų | 56.4 | 80% | 0.804 | 27% | 0.274 | S | S | * | . | H | α-helix | trans | -74.4 | -22.5 | 177 | -71 | 178.3 | 179.3 | -175.2 | 0 | 113.8 | K128 R129 L130 | K128-K132 WeakPolarHBondContact O-CG 3.37Å; K128-K132 PolarHBondContact O-N 2.93Å; K128-K132 VanDerWaalsContact O-N 3.14Å; R129-K132 PolarHBondContact O-N 3.04Å; L130-K132 VanDerWaalsContact C-N 3.25Å; L130-K132 PolarHBondContact O-N 3.11Å |
| 133 | T | 80.8 | Confident | 79 | Confident | 23 Ų | 23 | 60.2 Ų | 60.2 | 14% | 0.141 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -105.3 | -36.3 | -170 | -52.2 | 0 | 0 | 0 | 0 | 112.5 | T96 R129 L130 Q131 | T96-T133 HydrophobicContact CG2-CG2 3.39Å; T96-T133 WeakPolarHBondContact CG2-OG1 3.38Å; R129-T133 WeakPolarHBondContact O-CB 3.35Å; R129-T133 PolarHBondContact O-N 3.3Å; R129-T133 PolarHBondContact O-OG1 3.06Å; L130-T133 PolarHBondContact O-N 3.29Å; Q131-T133 VanDerWaalsContact C-N 3.33Å |
| 134 | C | 87.3 | Confident | 77.9 | Confident | 5 Ų | 5 | 55.7 Ų | 55.7 | 3% | 0.034 | 26% | 0.263 | C | S | . | . | trans | -123.3 | 138.3 | -167.4 | -51.4 | 0 | 0 | 0 | 0 | 110.5 | C110 L130 | C110-C134 HydrophobicContact CB-CB 3.78Å; C110-C134 WeakPolarHBondContact CB-SG 3.48Å; C110-C134 WeakPolarHBondContact SG-CB 3.24Å; C110-C134 CovalentContact SG-SG 2.02Å; C110-C134 PolarHBondContact SG-SG 2.87Å; L130-C134 HydrophobicContact CD1-CB 3.95Å; L130-C134 WeakPolarHBondContact CD1-SG 3.43Å; L130-C134 HydrophobicContact CG-CB 4.41Å; L130-C134 PolarHBondContact O-N 3.48Å | ||
| 135 | N | 90.6 | Very high | 76.5 | Confident | 56 Ų | 56 | 59.2 Ų | 59.2 | 30% | 0.299 | 28% | 0.282 | S | S | . | . | S | Bend | trans | -81.9 | -23.7 | 175.2 | -59.8 | 102.1 | 0 | 0 | 0 | 112.5 | M107 L108 G171 C172 W173 | M107-N135 VanDerWaalsContact CA-OD1 3.31Å; M107-N135 WeakPolarHBondContact CA-OD1 3.42Å; M107-N135 HydrophobicContact CG-CB 3.62Å; L108-N135 PolarHBondContact N-OD1 3.12Å; L108-N135 PolarHBondContact O-N 3.35Å; N135-G171 VanDerWaalsContact CA-O 3.27Å; N135-G171 WeakPolarHBondContact CA-O 3.14Å; N135-G171 PolarHBondContact ND2-O 3.4Å; N135-C172 CarbonylContact O-C 3.58Å; N135-C172 WeakPolarHBondContact O-CA 2.97Å; N135-W173 PolarHBondContact O-N 3.02Å |
| 136 | L | 90.7 | Very high | 75.2 | Confident | 4 Ų | 4 | 60.7 Ų | 60.7 | 2% | 0.021 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -152.4 | 158.9 | 173.1 | 59.9 | 158.9 | 0 | 0 | 0 | 109.4 | F79 M107 L108 L109 C110 W173 D175 P204 | F79-L136 HydrophobicContact CE2-CD1 4.25Å; F79-L136 HydrophobicContact CE2-CD2 3.88Å; F79-L136 HydrophobicContact CZ-CD1 4.27Å; F79-L136 HydrophobicContact CZ-CD2 4.41Å; M107-L136 HydrophobicContact CG-CD2 3.65Å; M107-L136 HydrophobicContact SD-CD2 3.69Å; L108-L136 WeakPolarHBondContact O-CD2 3.11Å; L108-L136 PolarHBondContact O-N 3.31Å; L108-L136 VanDerWaalsContact O-N 3.13Å; L109-L136 WeakPolarHBondContact CA-O 3.43Å; L109-L136 HydrophobicContact CB-CD1 3.9Å; L109-L136 HydrophobicContact CB-CD2 4.05Å; L109-L136 HydrophobicContact CB-CG 3.7Å; L109-L136 HydrophobicContact CD1-CB 4.38Å; L109-L136 HydrophobicContact CD1-CD1 3.69Å; L109-L136 HydrophobicContact CD1-CG 3.67Å; L109-L136 HydrophobicContact CD2-CD1 4.15Å; L109-L136 HydrophobicContact CG-CD1 4.09Å; L109-L136 HydrophobicContact CG-CG 4.18Å; C110-L136 PolarHBondContact N-O 2.81Å; L136-W173 CarbonylContact C-O 3.5Å; L136-W173 WeakPolarHBondContact CA-O 3.39Å; L136-W173 HydrophobicContact CB-CB 4.23Å; L136-W173 WeakPolarHBondContact CB-O 3.1Å; L136-D175 HydrophobicContact CD1-CB 4.26Å; L136-D175 WeakPolarHBondContact CD1-OD2 3.39Å; L136-P204 HydrophobicContact CB-CG 4.27Å; L136-P204 HydrophobicContact CD1-CB 4.07Å; L136-P204 HydrophobicContact CD1-CG 3.51Å; L136-P204 HydrophobicContact CG-CG 4.5Å |
| 137 | W | 89 | Confident | 73.6 | Confident | 0 Ų | 0 | 61.3 Ų | 61.3 | 0% | 0 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.4 | 143.6 | 178.9 | 53.8 | 83.7 | 0 | 0 | 0 | 111.3 | C110 P113 W127 L130 A139 V167 A168 C172 W173 N174 D175 | C110-W137 HydrophobicContact CB-CB 4.44Å; C110-W137 CarbonylContact O-C 3.45Å; C110-W137 WeakPolarHBondContact O-CA 3.08Å; C110-W137 WeakPolarHBondContact O-CB 3.46Å; P113-W137 HydrophobicContact CG-CB 4.15Å; W127-W137 AromaticContact CZ3-NE1 3.69Å; L130-W137 HydrophobicContact CD1-CB 4.07Å; L130-W137 HydrophobicContact CD1-CE3 4.43Å; L130-W137 HydrophobicContact CD2-CB 3.76Å; L130-W137 HydrophobicContact CD2-CD2 3.2Å; L130-W137 HydrophobicContact CD2-CE3 3.46Å; L130-W137 VanDerWaalsContact CD2-CE3 3.46Å; L130-W137 HydrophobicContact CD2-CG 3.33Å; L130-W137 HydrophobicContact CD2-CZ2 4.39Å; L130-W137 HydrophobicContact CD2-CZ3 4.13Å; L130-W137 HydrophobicContact CG-CB 4.3Å; L130-W137 HydrophobicContact CG-CD2 3.92Å; L130-W137 HydrophobicContact CG-CE3 3.64Å; L130-W137 HydrophobicContact CG-CG 4.21Å; L130-W137 HydrophobicContact CG-CZ3 4.22Å; W137-A139 PolarHBondContact O-N 3.36Å; W137-V167 HydrophobicContact CH2-CB 4.45Å; W137-V167 HydrophobicContact CH2-CG2 3.92Å; W137-V167 HydrophobicContact CZ2-CG2 3.87Å; W137-A168 HydrophobicContact CH2-CB 4.46Å; W137-A168 HydrophobicContact CZ2-CB 4.05Å; W137-C172 HydrophobicContact CH2-CB 3.79Å; W137-C172 HydrophobicContact CZ3-CB 3.69Å; W137-W173 PolarHBondContact N-O 3.42Å; W137-N174 PolarHBondContact NE1-OD1 3.18Å; W137-D175 WeakPolarHBondContact O-CA 3.4Å; W137-D175 WeakPolarHBondContact O-CB 3.48Å; W137-D175 PolarHBondContact O-N 2.75Å |
| 138 | R | 89.1 | Confident | 72.9 | Confident | 6 Ų | 6 | 66.7 Ų | 66.7 | 2% | 0.023 | 32% | 0.322 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -65.5 | 127.7 | 178.7 | -168 | 111.5 | -66.8 | -179.7 | 4.3 | 110.3 | C110 E114 D175 D177 | C110-R138 PolarHBondContact O-N 3.43Å; E114-R138 HydrophobicContact CB-CB 4.09Å; E114-R138 HydrophobicContact CB-CG 3.9Å; E114-R138 WeakPolarHBondContact OE2-CB 3.36Å; E114-R138 WeakPolarHBondContact OE2-CD 3.41Å; E114-R138 WeakPolarHBondContact OE2-CG 3.41Å; R138-D175 CarbonylContact C-O 3.6Å; R138-D175 WeakPolarHBondContact CA-O 3.46Å; R138-D175 IonicContact CZ-OD1 2.7Å; R138-D175 IonicContact CZ-OD2 3.15Å; R138-D175 PolarHBondContact NE-O 2.62Å; R138-D175 IonicContact NE-OD1 2.75Å; R138-D175 IonicContact NE-OD2 2.66Å; R138-D175 IonicContact NH2-OD1 3.55Å; R138-D175 PolarHBondContact NH2-OD1 2.87Å; R138-D175 IonicContact NH2-OD2 3.92Å; R138-D175 PolarHBondContact NH2-OD2 2.7Å; R138-D177 IonicContact CZ-OD1 2.71Å; R138-D177 IonicContact CZ-OD2 3.77Å; R138-D177 IonicContact NH1-OD1 3.63Å; R138-D177 PolarHBondContact NH1-OD1 3.5Å; R138-D177 IonicContact NH1-OD2 3.67Å; R138-D177 PolarHBondContact NH1-OD2 2.64Å; R138-D177 VanDerWaalsContact NH2-CA 3.25Å; R138-D177 IonicContact NH2-OD1 2.7Å |
| 139 | A | 82.6 | Confident | 72.7 | Confident | 12 Ų | 12 | 62.4 Ų | 62.4 | 10% | 0.099 | 30% | 0.302 | C | S | . | . | P | Polyproline II helix | trans | -63.4 | 138.7 | 172.7 | 0 | 0 | 0 | 0 | 0 | 110.4 | W137 S141 D175 | W137-A139 PolarHBondContact O-N 3.36Å; A139-S141 PolarHBondContact O-N 3.19Å; A139-D175 PolarHBondContact N-O 2.99Å |
| 140 | P | 73.8 | Confident | 72.9 | Confident | 16 Ų | 16 | 60.3 Ų | 60.3 | 10% | 0.104 | 30% | 0.295 | C | S | . | . | P | Polyproline II helix | trans | -50.5 | 136.5 | 167.2 | -27.7 | 35.7 | 0 | 0 | 0 | 111.6 | I119 S156 | I119-P140 HydrophobicContact CD1-CB 4.03Å; I119-P140 HydrophobicContact CG1-CB 4.01Å; P140-S156 PolarHBondContact O-OG 2.77Å |
| 141 | S | 69.3 | Low | 73.1 | Confident | 11 Ų | 11 | 61.5 Ų | 61.5 | 8% | 0.077 | 30% | 0.301 | C | S | . | . | trans | -138.5 | 125.5 | 172.6 | 70.4 | 0 | 0 | 0 | 0 | 109.4 | A139 E143 | A139-S141 PolarHBondContact O-N 3.19Å; S141-E143 VanDerWaalsContact C-N 3.32Å; S141-E143 PolarHBondContact O-N 3.19Å | ||
| 142 | N | 56.1 | Low | 73.1 | Confident | 91 Ų | 91 | 59.7 Ų | 59.7 | 49% | 0.487 | 29% | 0.292 | S | S | . | . | S | Bend | trans | -72.7 | -25.3 | -172.2 | -51.5 | -7.9 | 0 | 0 | 0 | 112.6 | H152 | N142-H152 PolarHBondContact N-NE2 2.98Š|
| 143 | E | 54.4 | Low | 73.2 | Confident | 139 Ų | 139 | 51 Ų | 51 | 65% | 0.65 | 26% | 0.255 | S | S | * | . | trans | -154.3 | 132.1 | -177.1 | -60.6 | -177.6 | 177.4 | 0 | 0 | 110.4 | S141 H152 | S141-E143 VanDerWaalsContact C-N 3.32Å; S141-E143 PolarHBondContact O-N 3.19Å; E143-H152 PolarHBondContact N-NE2 3.1Å; E143-H152 PolarHBondContact O-CD2 3.22Å; E143-H152 PolarHBondContact O-NE2 2.83Å | ||
| 144 | R | 53.4 | Low | 73.6 | Confident | 110 Ų | 110 | 49.9 Ų | 49.9 | 42% | 0.415 | 25% | 0.248 | S | C | . | . | S | Bend | trans | -101.4 | -6.7 | -179.4 | -74.7 | -174.1 | -178.6 | -177 | -1.7 | 114.9 | E114 | E114-R144 IonicContact OE1-NH2 2.89Å; E114-R144 IonicContact OE2-CZ 3.4Å; E114-R144 IonicContact OE2-NH2 3.78Å; E114-R144 PolarHBondContact OE2-NH2 2.77Å |
| 145 | N | 43 | Very low | 73.7 | Confident | 169 Ų | 169 | 52.2 Ų | 52.2 | 90% | 0.904 | 26% | 0.26 | S | S | * | . | trans | -105.3 | 25.5 | -161.5 | -84.4 | -0.2 | 0 | 0 | 0 | 116 | ||||
| 146 | D | 48.2 | Very low | 73.3 | Confident | 53 Ų | 53 | 49.8 Ų | 49.8 | 28% | 0.283 | 25% | 0.247 | S | C | . | . | S | Bend | trans | -115.6 | 139.9 | 179.5 | -163.8 | -28.9 | 0 | 0 | 0 | 112 | R148 Y149 | D146-R148 HydrophobicContact CB-CB 4.37Å; D146-R148 PolarHBondContact O-N 3.08Å; D146-R148 PolarHBondContact OD1-N 3.06Å; D146-R148 IonicContact OD1-NE 2.64Å; D146-R148 IonicContact OD2-CZ 3.5Å; D146-R148 IonicContact OD2-NE 3.6Å; D146-R148 PolarHBondContact OD2-NE 3.14Å; D146-R148 IonicContact OD2-NH2 2.73Å; D146-R148 PolarHBondContact OD2-NH2 3.39Å; D146-Y149 WeakPolarHBondContact O-CA 2.99Å; D146-Y149 WeakPolarHBondContact O-CB 3.41Å; D146-Y149 PolarHBondContact O-N 3.23Å |
| 147 | S | 47.6 | Very low | 73 | Confident | 92 Ų | 92 | 50.6 Ų | 50.6 | 64% | 0.643 | 25% | 0.251 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -44.4 | -19.7 | 160.6 | 67.4 | 0 | 0 | 0 | 0 | 114.6 | Y149 | S147-Y149 VanDerWaalsContact C-N 3.32Š|
| 148 | R | 63.7 | Low | 72.8 | Confident | 146 Ų | 146 | 54 Ų | 54 | 55% | 0.551 | 27% | 0.266 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -88.7 | 14.2 | 173.6 | -63.9 | 179.7 | -69.8 | 177.6 | -0.3 | 114.3 | D146 I150 I151 H152 | D146-R148 HydrophobicContact CB-CB 4.37Å; D146-R148 PolarHBondContact O-N 3.08Å; D146-R148 PolarHBondContact OD1-N 3.06Å; D146-R148 IonicContact OD1-NE 2.64Å; D146-R148 IonicContact OD2-CZ 3.5Å; D146-R148 IonicContact OD2-NE 3.6Å; D146-R148 PolarHBondContact OD2-NE 3.14Å; D146-R148 IonicContact OD2-NH2 2.73Å; D146-R148 PolarHBondContact OD2-NH2 3.39Å; R148-I150 PolarHBondContact O-N 2.85Å; R148-I151 PolarHBondContact O-N 3.26Å; R148-H152 PolarHBondContact O-N 3.18Å |
| 149 | Y | 77.2 | Confident | 72.3 | Confident | 59 Ų | 59 | 58.6 Ų | 58.6 | 23% | 0.231 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -36.4 | -50.6 | -179.8 | -178.9 | -89.1 | 0 | 0 | 0 | 113.7 | D146 S147 I151 H152 F153 D177 | D146-Y149 WeakPolarHBondContact O-CA 2.99Å; D146-Y149 WeakPolarHBondContact O-CB 3.41Å; D146-Y149 PolarHBondContact O-N 3.23Å; S147-Y149 VanDerWaalsContact C-N 3.32Å; Y149-I151 PolarHBondContact O-N 3.36Å; Y149-H152 WeakPolarHBondContact O-CB 3.23Å; Y149-H152 PolarHBondContact O-N 2.67Å; Y149-F153 AromaticContact CD1-CD2 3.95Å; Y149-F153 HydrophobicContact CD1-CD2 3.95Å; Y149-F153 HydrophobicContact CD1-CE2 4.17Å; Y149-F153 HydrophobicContact CD2-CD2 4.29Å; Y149-F153 AromaticContact CD2-CE2 3.82Å; Y149-F153 HydrophobicContact CD2-CE2 3.82Å; Y149-F153 AromaticContact CE1-CD2 3.61Å; Y149-F153 HydrophobicContact CE1-CD2 3.61Å; Y149-F153 AromaticContact CE1-CE2 3.62Å; Y149-F153 HydrophobicContact CE1-CE2 3.62Å; Y149-F153 HydrophobicContact CE2-CD2 4.04Å; Y149-F153 AromaticContact CE2-CE2 3.27Å; Y149-F153 HydrophobicContact CE2-CE2 3.27Å; Y149-F153 HydrophobicContact CE2-CZ 4.13Å; Y149-F153 HydrophobicContact CG-CD2 4.26Å; Y149-F153 HydrophobicContact CG-CE2 4.24Å; Y149-F153 AromaticContact CZ-CD2 3.65Å; Y149-F153 AromaticContact CZ-CE2 3.11Å; Y149-F153 AromaticContact CZ-CZ 3.91Å; Y149-F153 VanDerWaalsContact O-CD2 3.31Å; Y149-F153 WeakPolarHBondContact O-CD2 3.45Å; Y149-F153 PolarHBondContact O-N 3.21Å; Y149-F153 VanDerWaalsContact OH-CE2 3.29Å; Y149-F153 WeakPolarHBondContact OH-CE2 3.5Å; Y149-D177 WeakPolarHBondContact OH-CB 3.24Å; Y149-D177 PolarHBondContact OH-OD2 2.97Å |
| 150 | I | 85.1 | Confident | 71.8 | Confident | 12 Ų | 12 | 59.9 Ų | 59.9 | 6% | 0.062 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -62.7 | -49.4 | -176.4 | -50.5 | 179.6 | 0 | 0 | 0 | 111.6 | R148 H152 F153 I154 L186 R190 V193 H194 W198 | R148-I150 PolarHBondContact O-N 2.85Å; I150-H152 VanDerWaalsContact C-N 3.26Å; I150-H152 PolarHBondContact O-N 3.45Å; I150-F153 PolarHBondContact O-N 3.46Å; I150-I154 HydrophobicContact CG2-CD1 3.99Å; I150-I154 WeakPolarHBondContact O-CD1 3.32Å; I150-I154 VanDerWaalsContact O-CG1 3.31Å; I150-I154 WeakPolarHBondContact O-CG1 3.44Å; I150-I154 PolarHBondContact O-N 2.98Å; I150-I154 VanDerWaalsContact O-N 3.12Å; I150-L186 HydrophobicContact CD1-CD1 3.83Å; I150-L186 HydrophobicContact CD1-CD2 4.21Å; I150-R190 HydrophobicContact CD1-CB 4.36Å; I150-V193 HydrophobicContact CG2-CB 4.48Å; I150-V193 HydrophobicContact CG2-CG1 3.79Å; I150-H194 HydrophobicContact CD1-CB 3.87Å; I150-H194 WeakPolarHBondContact CD1-ND1 3.37Å; I150-H194 VanDerWaalsContact CG1-ND1 3.28Å; I150-H194 WeakPolarHBondContact CG1-ND1 3.47Å; I150-H194 HydrophobicContact CG2-CB 4.27Å; I150-W198 HydrophobicContact CG2-CZ3 4.22Å |
| 151 | I | 86.4 | Confident | 71.7 | Confident | 25 Ų | 25 | 59.9 Ų | 59.9 | 13% | 0.128 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -66.9 | -33.5 | 179.2 | -63.6 | -61.4 | 0 | 0 | 0 | 110.4 | R148 Y149 I154 N155 V193 V267 T269 | R148-I151 PolarHBondContact O-N 3.26Å; Y149-I151 PolarHBondContact O-N 3.36Å; I151-I154 HydrophobicContact CD1-CD1 4.16Å; I151-I154 PolarHBondContact O-N 3.13Å; I151-N155 WeakPolarHBondContact O-CB 2.97Å; I151-N155 VanDerWaalsContact O-CG 3.28Å; I151-N155 PolarHBondContact O-N 2.89Å; I151-N155 PolarHBondContact O-ND2 3.2Å; I151-V193 HydrophobicContact CD1-CG1 4.3Å; I151-V267 HydrophobicContact CD1-CG1 4.13Å; I151-T269 HydrophobicContact CG2-CG2 4.39Å |
| 152 | H | 83.9 | Confident | 71.6 | Confident | 39 Ų | 39 | 65.1 Ų | 65.1 | 18% | 0.181 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -60 | -49.1 | 174.6 | -176.1 | 73.6 | 0 | 0 | 0 | 112.1 | N142 E143 R148 Y149 I150 I154 N155 S156 | N142-H152 PolarHBondContact N-NE2 2.98Å; E143-H152 PolarHBondContact N-NE2 3.1Å; E143-H152 PolarHBondContact O-CD2 3.22Å; E143-H152 PolarHBondContact O-NE2 2.83Å; R148-H152 PolarHBondContact O-N 3.18Å; Y149-H152 WeakPolarHBondContact O-CB 3.23Å; Y149-H152 PolarHBondContact O-N 2.67Å; I150-H152 VanDerWaalsContact C-N 3.26Å; I150-H152 PolarHBondContact O-N 3.45Å; H152-I154 VanDerWaalsContact C-N 3.33Å; H152-I154 PolarHBondContact O-N 3Å; H152-N155 PolarHBondContact O-N 3.37Å; H152-S156 WeakPolarHBondContact O-CB 3.39Å; H152-S156 PolarHBondContact O-N 3.23Å |
| 153 | F | 85.2 | Confident | 71.9 | Confident | 3 Ų | 3 | 64.8 Ų | 64.8 | 1% | 0.013 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -63.3 | -38.5 | 176 | -83.8 | -80.7 | 0 | 0 | 0 | 112.7 | Y149 I150 S156 H157 P176 D177 W198 | Y149-F153 AromaticContact CD1-CD2 3.95Å; Y149-F153 HydrophobicContact CD1-CD2 3.95Å; Y149-F153 HydrophobicContact CD1-CE2 4.17Å; Y149-F153 HydrophobicContact CD2-CD2 4.29Å; Y149-F153 AromaticContact CD2-CE2 3.82Å; Y149-F153 HydrophobicContact CD2-CE2 3.82Å; Y149-F153 AromaticContact CE1-CD2 3.61Å; Y149-F153 HydrophobicContact CE1-CD2 3.61Å; Y149-F153 AromaticContact CE1-CE2 3.62Å; Y149-F153 HydrophobicContact CE1-CE2 3.62Å; Y149-F153 HydrophobicContact CE2-CD2 4.04Å; Y149-F153 AromaticContact CE2-CE2 3.27Å; Y149-F153 HydrophobicContact CE2-CE2 3.27Å; Y149-F153 HydrophobicContact CE2-CZ 4.13Å; Y149-F153 HydrophobicContact CG-CD2 4.26Å; Y149-F153 HydrophobicContact CG-CE2 4.24Å; Y149-F153 AromaticContact CZ-CD2 3.65Å; Y149-F153 AromaticContact CZ-CE2 3.11Å; Y149-F153 AromaticContact CZ-CZ 3.91Å; Y149-F153 VanDerWaalsContact O-CD2 3.31Å; Y149-F153 WeakPolarHBondContact O-CD2 3.45Å; Y149-F153 PolarHBondContact O-N 3.21Å; Y149-F153 VanDerWaalsContact OH-CE2 3.29Å; Y149-F153 WeakPolarHBondContact OH-CE2 3.5Å; I150-F153 PolarHBondContact O-N 3.46Å; F153-S156 PolarHBondContact O-N 3.45Å; F153-H157 WeakPolarHBondContact O-CB 3.44Å; F153-H157 PolarHBondContact O-N 3.27Å; F153-P176 HydrophobicContact CD1-CB 3.97Å; F153-P176 WeakPolarHBondContact CD1-O 3.38Å; F153-P176 VanDerWaalsContact CE1-O 3.27Å; F153-P176 WeakPolarHBondContact CE1-O 3.38Å; F153-P176 WeakPolarHBondContact CG-O 3.4Å; F153-D177 HydrophobicContact CE1-CB 4.38Å; F153-D177 HydrophobicContact CZ-CB 4.17Å; F153-W198 HydrophobicContact CB-CH2 3.87Å; F153-W198 HydrophobicContact CB-CZ3 4.47Å; F153-W198 HydrophobicContact CG-CH2 4.28Å |
| 154 | I | 89.6 | Confident | 72.1 | Confident | 0 Ų | 0 | 58.5 Ų | 58.5 | 0% | 0 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -62.1 | -44.3 | 175.3 | -67.5 | 160.8 | 0 | 0 | 0 | 111 | I150 I151 H152 H157 K158 V193 M197 F201 W251 | I150-I154 HydrophobicContact CG2-CD1 3.99Å; I150-I154 WeakPolarHBondContact O-CD1 3.32Å; I150-I154 VanDerWaalsContact O-CG1 3.31Å; I150-I154 WeakPolarHBondContact O-CG1 3.44Å; I150-I154 PolarHBondContact O-N 2.98Å; I150-I154 VanDerWaalsContact O-N 3.12Å; I151-I154 HydrophobicContact CD1-CD1 4.16Å; I151-I154 PolarHBondContact O-N 3.13Å; H152-I154 VanDerWaalsContact C-N 3.33Å; H152-I154 PolarHBondContact O-N 3Å; I154-H157 PolarHBondContact O-N 2.68Å; I154-K158 PolarHBondContact O-N 2.66Å; I154-V193 HydrophobicContact CD1-CG1 3.52Å; I154-M197 HydrophobicContact CD1-CB 3.94Å; I154-M197 HydrophobicContact CD1-CG 3.62Å; I154-M197 HydrophobicContact CG1-CB 3.95Å; I154-M197 HydrophobicContact CG1-CE 4.49Å; I154-M197 HydrophobicContact CG1-CG 3.99Å; I154-M197 HydrophobicContact CG2-CE 4.22Å; I154-F201 HydrophobicContact CB-CZ 4.28Å; I154-F201 HydrophobicContact CG1-CE2 4.01Å; I154-F201 HydrophobicContact CG1-CZ 3.93Å; I154-F201 HydrophobicContact CG2-CZ 4.36Å; I154-W251 HydrophobicContact CG2-CH2 4.3Å; I154-W251 HydrophobicContact CG2-CZ2 3.52Å |
| 155 | N | 88.1 | Confident | 72.2 | Confident | 53 Ų | 53 | 55.5 Ų | 55.5 | 28% | 0.283 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -69.2 | -36.7 | 177 | -73.2 | -22.3 | 0 | 0 | 0 | 112.3 | I151 H152 H157 K158 I159 Q249 | I151-N155 WeakPolarHBondContact O-CB 2.97Å; I151-N155 VanDerWaalsContact O-CG 3.28Å; I151-N155 PolarHBondContact O-N 2.89Å; I151-N155 PolarHBondContact O-ND2 3.2Å; H152-N155 PolarHBondContact O-N 3.37Å; N155-H157 VanDerWaalsContact C-N 3.34Å; N155-K158 WeakPolarHBondContact O-CB 3.48Å; N155-K158 PolarHBondContact O-N 2.91Å; N155-I159 WeakPolarHBondContact O-CG1 3.35Å; N155-I159 PolarHBondContact O-N 2.75Å; N155-Q249 PolarHBondContact OD1-NE2 3.13Å |
| 156 | S | 82.5 | Confident | 73.1 | Confident | 5 Ų | 5 | 53.5 Ų | 53.5 | 4% | 0.035 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -61.7 | -45.3 | 174.1 | -167.2 | 0 | 0 | 0 | 0 | 110.6 | P140 H152 F153 K158 I159 H160 | P140-S156 PolarHBondContact O-OG 2.77Å; H152-S156 WeakPolarHBondContact O-CB 3.39Å; H152-S156 PolarHBondContact O-N 3.23Å; F153-S156 PolarHBondContact O-N 3.45Å; S156-K158 VanDerWaalsContact C-N 3.3Å; S156-K158 PolarHBondContact O-N 3.35Å; S156-I159 PolarHBondContact O-N 3.23Å; S156-I159 VanDerWaalsContact O-N 3.13Å; S156-H160 PolarHBondContact O-CD2 3.08Å; S156-H160 VanDerWaalsContact O-CD2 3.27Å; S156-H160 PolarHBondContact O-N 2.85Å; S156-H160 PolarHBondContact OG-CD2 3.15Å |
| 157 | H | 84.2 | Confident | 74.4 | Confident | 21 Ų | 21 | 51.3 Ų | 51.3 | 10% | 0.097 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -60.1 | -41.1 | 174.9 | -160.4 | 84.4 | 0 | 0 | 0 | 111.7 | F153 I154 N155 I159 H160 D161 F201 V239 | F153-H157 WeakPolarHBondContact O-CB 3.44Å; F153-H157 PolarHBondContact O-N 3.27Å; I154-H157 PolarHBondContact O-N 2.68Å; N155-H157 VanDerWaalsContact C-N 3.34Å; H157-I159 VanDerWaalsContact C-N 3.34Å; H157-I159 PolarHBondContact O-N 2.77Å; H157-H160 PolarHBondContact O-N 3.05Å; H157-D161 WeakPolarHBondContact O-CA 3.29Å; H157-D161 WeakPolarHBondContact O-CB 3.27Å; H157-D161 PolarHBondContact O-N 3.32Å; H157-F201 HydrophobicContact CB-CE1 3.97Å; H157-F201 HydrophobicContact CB-CE2 4.48Å; H157-F201 HydrophobicContact CB-CZ 3.95Å; H157-F201 AromaticContact CD2-CD1 3.51Å; H157-F201 AromaticContact CD2-CE1 3.43Å; H157-F201 VanDerWaalsContact CD2-CE1 3.43Å; H157-F201 WeakPolarHBondContact CD2-CE1 3.14Å; H157-F201 AromaticContact CE1-CD1 3.98Å; H157-F201 AromaticContact CG-CD1 3.82Å; H157-F201 AromaticContact CG-CE1 3.67Å; H157-F201 AromaticContact NE2-CD1 3.61Å; H157-V239 WeakPolarHBondContact NE2-CG1 3.12Å |
| 158 | K | 84.5 | Confident | 75.7 | Confident | 73 Ų | 73 | 47.6 Ų | 47.6 | 32% | 0.317 | 24% | 0.237 | S | C | . | . | H | α-helix | trans | -58.8 | -42.8 | 174.5 | 176.6 | -176.1 | 165.4 | -175.7 | 0 | 112.4 | I154 N155 S156 F241 W251 | I154-K158 PolarHBondContact O-N 2.66Å; N155-K158 WeakPolarHBondContact O-CB 3.48Å; N155-K158 PolarHBondContact O-N 2.91Å; S156-K158 VanDerWaalsContact C-N 3.3Å; S156-K158 PolarHBondContact O-N 3.35Å; K158-F241 HydrophobicContact CD-CD1 4.17Å; K158-F241 HydrophobicContact CD-CD2 3.86Å; K158-F241 HydrophobicContact CD-CE1 4.12Å; K158-F241 HydrophobicContact CD-CE2 3.79Å; K158-F241 HydrophobicContact CD-CG 4.04Å; K158-F241 HydrophobicContact CD-CZ 3.91Å; K158-F241 VanDerWaalsContact CE-CE1 3.43Å; K158-F241 VanDerWaalsContact CE-CZ 3.4Å; K158-F241 HydrophobicContact CG-CB 4.18Å; K158-F241 HydrophobicContact CG-CD1 4.04Å; K158-F241 HydrophobicContact CG-CD2 4.08Å; K158-F241 HydrophobicContact CG-CE1 4.45Å; K158-F241 HydrophobicContact CG-CE2 4.48Å; K158-F241 HydrophobicContact CG-CG 3.83Å; K158-W251 HydrophobicContact CB-CH2 3.67Å; K158-W251 HydrophobicContact CB-CZ2 4.11Å; K158-W251 HydrophobicContact CG-CH2 4.5Å |
| 159 | I | 78.9 | Confident | 76.3 | Confident | 102 Ų | 102 | 41.3 Ų | 41.3 | 52% | 0.523 | 22% | 0.218 | S | C | . | . | H | α-helix | trans | -70.9 | -40.9 | -177.5 | -68.1 | 163.8 | 0 | 0 | 0 | 110.7 | N155 S156 H157 | N155-I159 WeakPolarHBondContact O-CG1 3.35Å; N155-I159 PolarHBondContact O-N 2.75Å; S156-I159 PolarHBondContact O-N 3.23Å; S156-I159 VanDerWaalsContact O-N 3.13Å; H157-I159 VanDerWaalsContact C-N 3.34Å; H157-I159 PolarHBondContact O-N 2.77Å |
| 160 | H | 72.5 | Confident | 76.6 | Confident | 39 Ų | 39 | 45.5 Ų | 45.5 | 18% | 0.181 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -95 | 6.9 | -175.1 | -63 | -57.2 | 0 | 0 | 0 | 114.5 | S156 H157 D162 D163 S164 | S156-H160 PolarHBondContact O-CD2 3.08Å; S156-H160 VanDerWaalsContact O-CD2 3.27Å; S156-H160 PolarHBondContact O-N 2.85Å; S156-H160 PolarHBondContact OG-CD2 3.15Å; H157-H160 PolarHBondContact O-N 3.05Å; H160-D162 PolarHBondContact O-N 2.63Å; H160-D163 HydrophobicContact CB-CB 4.41Å; H160-D163 IonicContact CE1-OD2 3.8Å; H160-D163 IonicContact ND1-OD2 3.8Å; H160-D163 PolarHBondContact ND1-OD2 3.32Å; H160-D163 PolarHBondContact O-N 3.18Å; H160-S164 PolarHBondContact O-N 2.97Å |
| 161 | D | 71.7 | Confident | 76.6 | Confident | 16 Ų | 16 | 46.5 Ų | 46.5 | 9% | 0.086 | 26% | 0.256 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -59.4 | -28.3 | -178.8 | -168.6 | 20.1 | 0 | 0 | 0 | 112.5 | H157 K240 | H157-D161 WeakPolarHBondContact O-CA 3.29Å; H157-D161 WeakPolarHBondContact O-CB 3.27Å; H157-D161 PolarHBondContact O-N 3.32Å; D161-K240 PolarHBondContact O-NZ 3.06Å; D161-K240 VanDerWaalsContact O-NZ 3.15Å; D161-K240 IonicContact OD1-NZ 3.5Å; D161-K240 PolarHBondContact OD1-NZ 3.11Å; D161-K240 WeakPolarHBondContact OD2-CD 3.49Å; D161-K240 IonicContact OD2-NZ 3.66Å; D161-K240 PolarHBondContact OD2-NZ 2.99Å; D161-K240 VanDerWaalsContact OD2-NZ 3.08Å |
| 162 | D | 66.9 | Low | 76.7 | Confident | 120 Ų | 120 | 46 Ų | 46 | 64% | 0.642 | 26% | 0.255 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -98.5 | -25.8 | 177 | -65.3 | -23.2 | 0 | 0 | 0 | 112.9 | H160 K240 | H160-D162 PolarHBondContact O-N 2.63Å; D162-K240 IonicContact OD1-NZ 2.77Å |
| 163 | D | 63 | Low | 77 | Confident | 84 Ų | 84 | 47.2 Ų | 47.2 | 45% | 0.449 | 26% | 0.258 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -77 | -35.8 | -180 | -69.7 | -26.6 | 0 | 0 | 0 | 112.7 | W127 H160 P165 | W127-D163 PolarHBondContact NE1-O 2.75Å; H160-D163 HydrophobicContact CB-CB 4.41Å; H160-D163 IonicContact CE1-OD2 3.8Å; H160-D163 IonicContact ND1-OD2 3.8Å; H160-D163 PolarHBondContact ND1-OD2 3.32Å; H160-D163 PolarHBondContact O-N 3.18Å; D163-P165 WeakPolarHBondContact O-CD 3.42Å |
| 164 | S | 58.3 | Low | 77.2 | Confident | 7 Ų | 7 | 47.9 Ų | 47.9 | 5% | 0.049 | 26% | 0.262 | C | S | . | . | S | Bend | trans | -72.2 | 109.6 | 169.5 | -169.4 | 0 | 0 | 0 | 0 | 106.1 | H160 R238 | H160-S164 PolarHBondContact O-N 2.97Å; S164-R238 PolarHBondContact O-NH1 3.41Å |
| 165 | P | 55 | Low | 77.3 | Confident | 47 Ų | 47 | 47.9 Ų | 47.9 | 31% | 0.305 | 26% | 0.262 | S | S | . | . | trans | -59.2 | 171.6 | 176.5 | 21.4 | -21.4 | 0 | 0 | 0 | 108.3 | W127 D163 V167 R238 | W127-P165 HydrophobicContact CB-CG 3.08Å; W127-P165 VanDerWaalsContact CD1-CG 3.42Å; W127-P165 HydrophobicContact CD2-CG 3.97Å; W127-P165 HydrophobicContact CG-CG 3.2Å; D163-P165 WeakPolarHBondContact O-CD 3.42Å; P165-V167 HydrophobicContact CB-CG1 4.21Å; P165-V167 HydrophobicContact CG-CG1 3.88Å; P165-V167 HydrophobicContact CG-CG2 4.11Å; P165-V167 WeakPolarHBondContact O-CG2 3.34Å; P165-V167 PolarHBondContact O-N 3.45Å; P165-R238 PolarHBondContact O-NH1 3.45Å | ||
| 166 | N | 63.3 | Low | 77.3 | Confident | 128 Ų | 128 | 45.5 Ų | 45.5 | 68% | 0.684 | 25% | 0.249 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -65.7 | 38.6 | -179.2 | -56.7 | -18.9 | 0 | 0 | 0 | 113.3 | R238 | N166-R238 VanDerWaalsContact OD1-CZ 3.25Å; N166-R238 PolarHBondContact OD1-NH1 2.88Å; N166-R238 PolarHBondContact OD1-NH2 2.89Å |
| 167 | V | 74 | Confident | 77.7 | Confident | 6 Ų | 6 | 46 Ų | 46 | 4% | 0.036 | 25% | 0.251 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -92.6 | -26 | -177.2 | -63.3 | 0 | 0 | 0 | 0 | 112.6 | W127 K128 Q131 W137 P165 G169 | W127-V167 HydrophobicContact CB-CG1 4.15Å; W127-V167 HydrophobicContact CB-CG2 4.05Å; W127-V167 HydrophobicContact CE3-CG2 4.1Å; K128-V167 HydrophobicContact CG-CG1 4.5Å; Q131-V167 HydrophobicContact CB-CB 4.12Å; Q131-V167 HydrophobicContact CB-CG1 4.42Å; Q131-V167 HydrophobicContact CG-CB 4.17Å; Q131-V167 PolarHBondContact NE2-O 3.29Å; W137-V167 HydrophobicContact CH2-CB 4.45Å; W137-V167 HydrophobicContact CH2-CG2 3.92Å; W137-V167 HydrophobicContact CZ2-CG2 3.87Å; P165-V167 HydrophobicContact CB-CG1 4.21Å; P165-V167 HydrophobicContact CG-CG1 3.88Å; P165-V167 HydrophobicContact CG-CG2 4.11Å; P165-V167 WeakPolarHBondContact O-CG2 3.34Å; P165-V167 PolarHBondContact O-N 3.45Å; V167-G169 PolarHBondContact O-N 2.99Å |
| 168 | A | 74.8 | Confident | 78 | Confident | 14 Ų | 14 | 47.7 Ų | 47.7 | 12% | 0.116 | 26% | 0.26 | C | S | . | . | trans | -71.7 | 126.9 | 171.9 | 0 | 0 | 0 | 0 | 0 | 109.7 | W137 C172 N174 | W137-A168 HydrophobicContact CH2-CB 4.46Å; W137-A168 HydrophobicContact CZ2-CB 4.05Å; A168-C172 CarbonylContact C-O 2.98Å; A168-C172 VanDerWaalsContact CA-O 3.23Å; A168-C172 WeakPolarHBondContact CA-O 3.47Å; A168-N174 VanDerWaalsContact CB-ND2 3.31Å; A168-N174 WeakPolarHBondContact CB-ND2 3.07Å | ||
| 169 | G | 77.6 | Confident | 78.4 | Confident | 15 Ų | 15 | 44.2 Ų | 44.2 | 16% | 0.155 | 25% | 0.245 | C | C | . | . | B | Isolated β-bridge | trans | 171.1 | -160.8 | -173.6 | 0 | 0 | 0 | 0 | 0 | 110.9 | V167 G171 C172 | V167-G169 PolarHBondContact O-N 2.99Å; G169-G171 PolarHBondContact O-N 2.96Å; G169-C172 PolarHBondContact N-O 2.64Å; G169-C172 CarbonylContact O-C 3.52Å; G169-C172 PolarHBondContact O-N 3.48Å |
| 170 | L | 83.1 | Confident | 78.7 | Confident | 146 Ų | 146 | 40.5 Ų | 40.5 | 76% | 0.764 | 23% | 0.23 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -54.6 | 115.1 | -175.1 | -171.4 | 66.6 | 0 | 0 | 0 | 111.9 | ||
| 171 | G | 84.8 | Confident | 79.2 | Confident | 33 Ų | 33 | 38.7 Ų | 38.7 | 34% | 0.34 | 22% | 0.221 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 90 | -5.7 | 179.6 | 0 | 0 | 0 | 0 | 0 | 115.7 | N135 G169 | N135-G171 VanDerWaalsContact CA-O 3.27Å; N135-G171 WeakPolarHBondContact CA-O 3.14Å; N135-G171 PolarHBondContact ND2-O 3.4Å; G169-G171 PolarHBondContact O-N 2.96Å |
| 172 | C | 89.1 | Confident | 79.1 | Confident | 14 Ų | 14 | 39 Ų | 39 | 10% | 0.095 | 23% | 0.229 | C | C | . | . | B | Isolated β-bridge | trans | -142.2 | 103.7 | -173.2 | -65.3 | 0 | 0 | 0 | 0 | 110.7 | Q131 N135 W137 A168 G169 | Q131-C172 HydrophobicContact CG-CB 3.92Å; Q131-C172 WeakPolarHBondContact CG-SG 3.4Å; Q131-C172 PolarHBondContact O-SG 3.46Å; N135-C172 CarbonylContact O-C 3.58Å; N135-C172 WeakPolarHBondContact O-CA 2.97Å; W137-C172 HydrophobicContact CH2-CB 3.79Å; W137-C172 HydrophobicContact CZ3-CB 3.69Å; A168-C172 CarbonylContact C-O 2.98Å; A168-C172 VanDerWaalsContact CA-O 3.23Å; A168-C172 WeakPolarHBondContact CA-O 3.47Å; G169-C172 PolarHBondContact N-O 2.64Å; G169-C172 CarbonylContact O-C 3.52Å; G169-C172 PolarHBondContact O-N 3.48Å |
| 173 | W | 90.5 | Very high | 78.8 | Confident | 66 Ų | 66 | 37.2 Ų | 37.2 | 25% | 0.25 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.8 | 139.2 | -168.8 | -52.1 | 100.5 | 0 | 0 | 0 | 113.9 | N135 L136 W137 A202 P204 | N135-W173 PolarHBondContact O-N 3.02Å; L136-W173 CarbonylContact C-O 3.5Å; L136-W173 WeakPolarHBondContact CA-O 3.39Å; L136-W173 HydrophobicContact CB-CB 4.23Å; L136-W173 WeakPolarHBondContact CB-O 3.1Å; W137-W173 PolarHBondContact N-O 3.42Å; W173-A202 HydrophobicContact CE3-CB 3.88Å; W173-A202 HydrophobicContact CZ3-CB 3.66Å; W173-P204 HydrophobicContact CB-CG 4.33Å |
| 174 | N | 89.2 | Confident | 78.9 | Confident | 17 Ų | 17 | 37.7 Ų | 37.7 | 9% | 0.091 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -68.3 | 131.6 | 164.4 | -75.3 | -51.9 | 0 | 0 | 0 | 109 | W137 A168 P176 P204 | W137-N174 PolarHBondContact NE1-OD1 3.18Å; A168-N174 VanDerWaalsContact CB-ND2 3.31Å; A168-N174 WeakPolarHBondContact CB-ND2 3.07Å; N174-P176 WeakPolarHBondContact O-CD 3.46Å; N174-P204 WeakPolarHBondContact O-CD 3.37Å |
| 175 | D | 90.9 | Very high | 79.5 | Confident | 0 Ų | 0 | 41.3 Ų | 41.3 | 0% | 0 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.4 | 97.5 | -177 | -174.6 | -3.8 | 0 | 0 | 0 | 111.4 | L109 L136 W137 R138 A139 D177 P204 | L109-D175 HydrophobicContact CD1-CB 4.15Å; L109-D175 VanDerWaalsContact CD1-OD2 3.28Å; L109-D175 WeakPolarHBondContact CD1-OD2 3.45Å; L109-D175 WeakPolarHBondContact CD2-OD2 3.47Å; L136-D175 HydrophobicContact CD1-CB 4.26Å; L136-D175 WeakPolarHBondContact CD1-OD2 3.39Å; W137-D175 WeakPolarHBondContact O-CA 3.4Å; W137-D175 WeakPolarHBondContact O-CB 3.48Å; W137-D175 PolarHBondContact O-N 2.75Å; R138-D175 CarbonylContact C-O 3.6Å; R138-D175 WeakPolarHBondContact CA-O 3.46Å; R138-D175 IonicContact CZ-OD1 2.7Å; R138-D175 IonicContact CZ-OD2 3.15Å; R138-D175 PolarHBondContact NE-O 2.62Å; R138-D175 IonicContact NE-OD1 2.75Å; R138-D175 IonicContact NE-OD2 2.66Å; R138-D175 IonicContact NH2-OD1 3.55Å; R138-D175 PolarHBondContact NH2-OD1 2.87Å; R138-D175 IonicContact NH2-OD2 3.92Å; R138-D175 PolarHBondContact NH2-OD2 2.7Å; A139-D175 PolarHBondContact N-O 2.99Å; D175-D177 PolarHBondContact O-N 3.45Å; D175-D177 PolarHBondContact OD1-N 2.65Å; D175-D177 VanDerWaalsContact OD1-N 3.13Å; D175-P204 HydrophobicContact CB-CG 4.12Å |
| 176 | P | 89.1 | Confident | 80.8 | Confident | 3 Ų | 3 | 41 Ų | 41 | 2% | 0.019 | 26% | 0.256 | C | S | . | . | trans | -80.7 | 19.4 | -179 | 34.6 | -34.6 | 0 | 0 | 0 | 114 | F153 N174 W198 F201 A203 | F153-P176 HydrophobicContact CD1-CB 3.97Å; F153-P176 WeakPolarHBondContact CD1-O 3.38Å; F153-P176 VanDerWaalsContact CE1-O 3.27Å; F153-P176 WeakPolarHBondContact CE1-O 3.38Å; F153-P176 WeakPolarHBondContact CG-O 3.4Å; N174-P176 WeakPolarHBondContact O-CD 3.46Å; P176-W198 HydrophobicContact CB-CH2 4.44Å; P176-W198 HydrophobicContact CB-CZ2 4Å; P176-W198 HydrophobicContact CG-CD2 4.09Å; P176-W198 HydrophobicContact CG-CG 4.35Å; P176-W198 HydrophobicContact CG-CZ2 4Å; P176-W198 WeakPolarHBondContact O-CZ2 3.23Å; P176-F201 HydrophobicContact CG-CD2 4.19Å; P176-A203 VanDerWaalsContact CD-CB 3.48Å; P176-A203 HydrophobicContact CG-CB 3.66Å | ||
| 177 | D | 90.4 | Very high | 82 | Confident | 14 Ų | 14 | 37.6 Ų | 37.6 | 8% | 0.075 | 24% | 0.242 | C | C | . | . | trans | 89.9 | 177.2 | -177.7 | -136 | -35.6 | 0 | 0 | 0 | 116.5 | R138 Y149 F153 D175 W198 | R138-D177 IonicContact CZ-OD1 2.71Å; R138-D177 IonicContact CZ-OD2 3.77Å; R138-D177 IonicContact NH1-OD1 3.63Å; R138-D177 PolarHBondContact NH1-OD1 3.5Å; R138-D177 IonicContact NH1-OD2 3.67Å; R138-D177 PolarHBondContact NH1-OD2 2.64Å; R138-D177 VanDerWaalsContact NH2-CA 3.25Å; R138-D177 IonicContact NH2-OD1 2.7Å; Y149-D177 WeakPolarHBondContact OH-CB 3.24Å; Y149-D177 PolarHBondContact OH-OD2 2.97Å; F153-D177 HydrophobicContact CE1-CB 4.38Å; F153-D177 HydrophobicContact CZ-CB 4.17Å; D175-D177 PolarHBondContact O-N 3.45Å; D175-D177 PolarHBondContact OD1-N 2.65Å; D175-D177 VanDerWaalsContact OD1-N 3.13Å; D177-W198 PolarHBondContact O-NE1 3.01Å | ||
| 178 | M | 91.6 | Very high | 82.8 | Confident | 58 Ų | 58 | 41.3 Ų | 41.3 | 29% | 0.286 | 26% | 0.261 | S | S | . | . | trans | -77.1 | 154.9 | -168 | -63.1 | 176.8 | -64.8 | 0 | 0 | 112.3 | A180 H194 L206 S208 | M178-A180 PolarHBondContact O-N 2.82Å; M178-H194 PolarHBondContact O-NE2 3.47Å; M178-H194 VanDerWaalsContact O-NE2 3.13Å; M178-L206 CarbonylContact C-O 3.6Å; M178-L206 VanDerWaalsContact CA-O 3.24Å; M178-L206 WeakPolarHBondContact CA-O 3.45Å; M178-L206 WeakPolarHBondContact CB-O 3.32Å; M178-L206 HydrophobicContact CG-CB 4.16Å; M178-S208 VanDerWaalsContact SD-CB 3.6Å | ||
| 179 | L | 91.5 | Very high | 83.7 | Confident | 0 Ų | 0 | 42.2 Ų | 42.2 | 0% | 0 | 26% | 0.264 | C | S | . | . | B | Isolated β-bridge | trans | -77.7 | 109 | 166.3 | -60.5 | 177.9 | 0 | 0 | 0 | 109.6 | L181 H194 W198 L205 L206 I207 S208 L222 | L179-L181 HydrophobicContact CB-CG 4.49Å; L179-H194 WeakPolarHBondContact CA-NE2 3.42Å; L179-H194 WeakPolarHBondContact CD2-CD2 3.45Å; L179-W198 HydrophobicContact CD2-CB 3.98Å; L179-W198 HydrophobicContact CD2-CD2 4.16Å; L179-W198 HydrophobicContact CD2-CG 3.66Å; L179-L205 HydrophobicContact CD1-CB 3.96Å; L179-L205 HydrophobicContact CD1-CD2 4.07Å; L179-L206 PolarHBondContact N-O 2.92Å; L179-I207 HydrophobicContact CB-CG1 4.41Å; L179-I207 HydrophobicContact CD1-CG1 4.38Å; L179-S208 PolarHBondContact O-N 3.28Å; L179-L222 HydrophobicContact CD1-CD2 3.59Å |
| 180 | A | 85.2 | Confident | 84.3 | Confident | 24 Ų | 24 | 44.7 Ų | 44.7 | 20% | 0.198 | 27% | 0.269 | C | S | . | . | trans | -105.9 | 62 | -177.6 | 0 | 0 | 0 | 0 | 0 | 110.4 | M178 N184 | M178-A180 PolarHBondContact O-N 2.82Å; A180-N184 WeakPolarHBondContact CB-ND2 3.03Å; A180-N184 PolarHBondContact O-ND2 3.18Å | ||
| 181 | L | 83.5 | Confident | 84.8 | Confident | 0 Ų | 0 | 38 Ų | 38 | 0% | 0 | 23% | 0.234 | C | C | . | . | trans | -89.3 | 157.9 | -178.7 | -55.8 | 171.5 | 0 | 0 | 0 | 110.9 | L179 N183 N191 H194 V195 A209 M214 L222 | L179-L181 HydrophobicContact CB-CG 4.49Å; L181-N183 VanDerWaalsContact C-N 3.25Å; L181-N183 PolarHBondContact O-N 2.68Å; L181-N183 VanDerWaalsContact O-N 3.16Å; L181-N191 HydrophobicContact CD2-CB 4.01Å; L181-N191 VanDerWaalsContact CD2-OD1 3.31Å; L181-N191 WeakPolarHBondContact CD2-OD1 3.31Å; L181-H194 HydrophobicContact CD2-CB 4.43Å; L181-V195 HydrophobicContact CD1-CG2 3.52Å; L181-V195 HydrophobicContact CD2-CG2 3.92Å; L181-V195 HydrophobicContact CG-CG2 4.26Å; L181-A209 WeakPolarHBondContact O-CB 3.16Å; L181-M214 HydrophobicContact CB-CE 4.48Å; L181-L222 HydrophobicContact CD1-CD1 3.89Å; L181-L222 HydrophobicContact CD1-CD2 3.44Å; L181-L222 VanDerWaalsContact CD1-CD2 3.44Å; L181-L222 HydrophobicContact CD1-CG 3.48Å; L181-L222 VanDerWaalsContact CD1-CG 3.48Å | ||
| 182 | G | 68.8 | Low | 85.3 | Confident | 24 Ų | 24 | 39.9 Ų | 39.9 | 25% | 0.247 | 23% | 0.231 | C | C | . | . | S | Bend | trans | 76.4 | -8.6 | 170.2 | 0 | 0 | 0 | 0 | 0 | 117.2 | ||
| 183 | N | 61.3 | Low | 85.6 | Confident | 82 Ų | 82 | 39.4 Ų | 39.4 | 44% | 0.439 | 23% | 0.227 | S | C | . | . | S | Bend | trans | -129.3 | 1.6 | -174.4 | -83.5 | -3.1 | 0 | 0 | 0 | 115.9 | L181 D210 | L181-N183 VanDerWaalsContact C-N 3.25Å; L181-N183 PolarHBondContact O-N 2.68Å; L181-N183 VanDerWaalsContact O-N 3.16Å; N183-D210 WeakPolarHBondContact ND2-CB 3.31Å; N183-D210 PolarHBondContact ND2-N 3.21Å |
| 184 | N | 64.5 | Low | 85.7 | Confident | 93 Ų | 93 | 36.4 Ų | 36.4 | 50% | 0.497 | 22% | 0.216 | S | C | . | . | S | Bend | trans | -123.9 | 10 | -158.8 | -66.6 | -9.2 | 0 | 0 | 0 | 115.8 | A180 L186 | A180-N184 WeakPolarHBondContact CB-ND2 3.03Å; A180-N184 PolarHBondContact O-ND2 3.18Å; N184-L186 HydrophobicContact CB-CD1 4.37Å; N184-L186 HydrophobicContact CB-CG 4.1Å; N184-L186 PolarHBondContact O-N 2.96Å; N184-L186 VanDerWaalsContact O-N 3.13Å |
| 185 | G | 72.5 | Confident | 86 | Confident | 84 Ų | 84 | 35.7 Ų | 35.7 | 87% | 0.866 | 21% | 0.212 | S | C | * | . | trans | 64.9 | 15 | -177.1 | 0 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 186 | L | 80.4 | Confident | 86.3 | Confident | 40 Ų | 40 | 35.7 Ų | 35.7 | 21% | 0.209 | 21% | 0.212 | C | C | . | . | trans | -70.3 | 135 | 175.7 | -65.8 | 176.6 | 0 | 0 | 0 | 110.6 | I150 N184 R190 N191 | I150-L186 HydrophobicContact CD1-CD1 3.83Å; I150-L186 HydrophobicContact CD1-CD2 4.21Å; N184-L186 HydrophobicContact CB-CD1 4.37Å; N184-L186 HydrophobicContact CB-CG 4.1Å; N184-L186 PolarHBondContact O-N 2.96Å; N184-L186 VanDerWaalsContact O-N 3.13Å; L186-R190 HydrophobicContact CB-CB 4.22Å; L186-R190 HydrophobicContact CD2-CB 4.18Å; L186-N191 WeakPolarHBondContact CB-OD1 3.39Å | ||
| 187 | S | 88.5 | Confident | 86.7 | Confident | 57 Ų | 57 | 35.5 Ų | 35.5 | 40% | 0.399 | 21% | 0.211 | S | C | . | . | trans | -66.5 | 159.5 | 171.6 | 63.3 | 0 | 0 | 0 | 0 | 111.5 | D189 R190 N191 | S187-D189 PolarHBondContact O-N 2.87Å; S187-R190 PolarHBondContact O-N 2.81Å; S187-R190 PolarHBondContact OG-N 3.05Å; S187-N191 PolarHBondContact O-N 2.97Å | ||
| 188 | N | 91.9 | Very high | 86.9 | Confident | 83 Ų | 83 | 34.9 Ų | 34.9 | 44% | 0.444 | 21% | 0.208 | S | C | . | . | H | α-helix | trans | -55.4 | -36.5 | 177.3 | -74.8 | -5.2 | 0 | 0 | 0 | 112.9 | N191 R192 F217 | N188-N191 PolarHBondContact O-N 2.63Å; N188-R192 WeakPolarHBondContact O-CG 3.29Å; N188-R192 PolarHBondContact O-N 3.23Å; N188-F217 VanDerWaalsContact CA-CE1 3.5Å; N188-F217 HydrophobicContact CB-CD1 3.93Å; N188-F217 HydrophobicContact CB-CE1 3.43Å; N188-F217 VanDerWaalsContact CB-CE1 3.43Å; N188-F217 HydrophobicContact CB-CE2 4.21Å; N188-F217 HydrophobicContact CB-CG 4.5Å; N188-F217 HydrophobicContact CB-CZ 3.59Å; N188-F217 VanDerWaalsContact CG-CD1 3.42Å; N188-F217 WeakPolarHBondContact O-CE1 3.25Å; N188-F217 WeakPolarHBondContact OD1-CD1 3.01Å |
| 189 | D | 92.7 | Very high | 87.1 | Confident | 33 Ų | 33 | 32.1 Ų | 32.1 | 18% | 0.176 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -66 | -43.5 | 175.6 | -76.6 | -45.3 | 0 | 0 | 0 | 112.1 | S187 N191 R192 V193 N322 S324 | S187-D189 PolarHBondContact O-N 2.87Å; D189-N191 PolarHBondContact O-N 2.8Å; D189-R192 WeakPolarHBondContact O-CB 3.3Å; D189-R192 PolarHBondContact O-N 2.82Å; D189-V193 WeakPolarHBondContact O-CG2 3.46Å; D189-V193 PolarHBondContact O-N 3.31Å; D189-N322 VanDerWaalsContact OD2-CB 3.31Å; D189-N322 WeakPolarHBondContact OD2-CB 3.2Å; D189-N322 PolarHBondContact OD2-ND2 2.8Å; D189-S324 CarbonylContact C-O 3.59Å |
| 190 | R | 91.4 | Very high | 87.3 | Confident | 68 Ų | 68 | 32.1 Ų | 32.1 | 26% | 0.257 | 20% | 0.195 | S | C | . | . | H | α-helix | trans | -64.7 | -38.6 | 174.7 | -72.4 | -177.4 | -179.9 | -170.5 | 0.5 | 112 | I150 L186 S187 R192 V193 H194 D271 | I150-R190 HydrophobicContact CD1-CB 4.36Å; L186-R190 HydrophobicContact CB-CB 4.22Å; L186-R190 HydrophobicContact CD2-CB 4.18Å; S187-R190 PolarHBondContact O-N 2.81Å; S187-R190 PolarHBondContact OG-N 3.05Å; R190-R192 VanDerWaalsContact C-N 3.34Å; R190-R192 PolarHBondContact O-N 3.02Å; R190-V193 PolarHBondContact O-N 2.62Å; R190-H194 PolarHBondContact O-N 2.91Å; R190-D271 IonicContact NH2-OD2 3.02Å |
| 191 | N | 92.8 | Very high | 87.7 | Confident | 6 Ų | 6 | 31.4 Ų | 31.4 | 3% | 0.032 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -62.9 | -39.9 | 174 | -75 | -29.2 | 0 | 0 | 0 | 111.8 | L181 L186 S187 N188 D189 H194 V195 F217 L221 | L181-N191 HydrophobicContact CD2-CB 4.01Å; L181-N191 VanDerWaalsContact CD2-OD1 3.31Å; L181-N191 WeakPolarHBondContact CD2-OD1 3.31Å; L186-N191 WeakPolarHBondContact CB-OD1 3.39Å; S187-N191 PolarHBondContact O-N 2.97Å; N188-N191 PolarHBondContact O-N 2.63Å; D189-N191 PolarHBondContact O-N 2.8Å; N191-H194 PolarHBondContact O-N 2.88Å; N191-V195 PolarHBondContact O-N 2.91Å; N191-F217 HydrophobicContact CB-CE1 4.14Å; N191-L221 HydrophobicContact CB-CD1 3.83Å |
| 192 | R | 95.4 | Very high | 88.1 | Confident | 72 Ų | 72 | 31.7 Ų | 31.7 | 27% | 0.272 | 19% | 0.189 | S | C | . | . | H | α-helix | trans | -62.5 | -44.2 | 172.6 | -77.2 | 177.1 | 171.8 | 166.9 | -5.3 | 111.9 | N188 D189 R190 H194 G196 F217 L221 F303 I326 | N188-R192 WeakPolarHBondContact O-CG 3.29Å; N188-R192 PolarHBondContact O-N 3.23Å; D189-R192 WeakPolarHBondContact O-CB 3.3Å; D189-R192 PolarHBondContact O-N 2.82Å; R190-R192 VanDerWaalsContact C-N 3.34Å; R190-R192 PolarHBondContact O-N 3.02Å; R192-H194 VanDerWaalsContact C-N 3.33Å; R192-H194 PolarHBondContact O-N 3.43Å; R192-G196 WeakPolarHBondContact O-CA 3.19Å; R192-G196 PolarHBondContact O-N 3.4Å; R192-F217 HydrophobicContact CG-CE1 4.5Å; R192-F217 HydrophobicContact CG-CZ 3.93Å; R192-L221 HydrophobicContact CG-CD1 4.35Å; R192-L221 HydrophobicContact CG-CD2 4.08Å; R192-F303 HydrophobicContact CB-CD1 4.33Å; R192-F303 HydrophobicContact CB-CE1 3.71Å; R192-F303 HydrophobicContact CB-CZ 3.83Å; R192-F303 HydrophobicContact CG-CD1 3.83Å; R192-F303 HydrophobicContact CG-CE1 3.72Å; R192-F303 HydrophobicContact CG-CG 4.4Å; R192-F303 HydrophobicContact CG-CZ 4.21Å; R192-I326 VanDerWaalsContact C-CG2 3.42Å; R192-I326 HydrophobicContact CB-CG2 3.63Å |
| 193 | V | 95.3 | Very high | 89.3 | Confident | 3 Ų | 3 | 30.7 Ų | 30.7 | 2% | 0.018 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -59.1 | -47 | 175.5 | 175.7 | 0 | 0 | 0 | 0 | 110.2 | I150 I151 I154 D189 R190 M197 V267 S324 I326 | I150-V193 HydrophobicContact CG2-CB 4.48Å; I150-V193 HydrophobicContact CG2-CG1 3.79Å; I151-V193 HydrophobicContact CD1-CG1 4.3Å; I154-V193 HydrophobicContact CD1-CG1 3.52Å; D189-V193 WeakPolarHBondContact O-CG2 3.46Å; D189-V193 PolarHBondContact O-N 3.31Å; R190-V193 PolarHBondContact O-N 2.62Å; V193-M197 HydrophobicContact CG1-CG 4.31Å; V193-M197 VanDerWaalsContact O-CB 3.31Å; V193-M197 WeakPolarHBondContact O-CB 3.38Å; V193-M197 WeakPolarHBondContact O-CG 3.16Å; V193-M197 PolarHBondContact O-N 3.21Å; V193-V267 HydrophobicContact CG1-CG1 4.16Å; V193-S324 WeakPolarHBondContact CG2-O 3.45Å; V193-I326 HydrophobicContact CB-CG2 4.32Å; V193-I326 HydrophobicContact CG2-CB 3.81Å; V193-I326 HydrophobicContact CG2-CG2 3.8Å |
| 194 | H | 93.5 | Very high | 90.8 | Very high | 3 Ų | 3 | 27.9 Ų | 27.9 | 1% | 0.014 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -56.3 | -60.8 | -179.1 | -154.2 | 61.8 | 0 | 0 | 0 | 111.6 | I150 M178 L179 L181 R190 N191 R192 W198 | I150-H194 HydrophobicContact CD1-CB 3.87Å; I150-H194 WeakPolarHBondContact CD1-ND1 3.37Å; I150-H194 VanDerWaalsContact CG1-ND1 3.28Å; I150-H194 WeakPolarHBondContact CG1-ND1 3.47Å; I150-H194 HydrophobicContact CG2-CB 4.27Å; M178-H194 PolarHBondContact O-NE2 3.47Å; M178-H194 VanDerWaalsContact O-NE2 3.13Å; L179-H194 WeakPolarHBondContact CA-NE2 3.42Å; L179-H194 WeakPolarHBondContact CD2-CD2 3.45Å; L181-H194 HydrophobicContact CD2-CB 4.43Å; R190-H194 PolarHBondContact O-N 2.91Å; N191-H194 PolarHBondContact O-N 2.88Å; R192-H194 VanDerWaalsContact C-N 3.33Å; R192-H194 PolarHBondContact O-N 3.43Å; H194-W198 AromaticContact CE1-CH2 3.39Å; H194-W198 WeakPolarHBondContact CE1-CH2 3.31Å; H194-W198 AromaticContact CE1-CZ2 3.57Å; H194-W198 AromaticContact CE1-CZ3 3.74Å; H194-W198 AromaticContact ND1-CH2 3.8Å; H194-W198 AromaticContact ND1-CZ3 3.7Å; H194-W198 WeakPolarHBondContact O-CB 3.1Å; H194-W198 PolarHBondContact O-N 2.91Å; H194-W198 VanDerWaalsContact O-N 3.15Å |
| 195 | V | 95.8 | Very high | 92.3 | Very high | 2 Ų | 2 | 25.6 Ų | 25.6 | 1% | 0.012 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -68.6 | -43.4 | -176.2 | -174.6 | 0 | 0 | 0 | 0 | 110.8 | L181 N191 M197 W198 C199 L221 L227 | L181-V195 HydrophobicContact CD1-CG2 3.52Å; L181-V195 HydrophobicContact CD2-CG2 3.92Å; L181-V195 HydrophobicContact CG-CG2 4.26Å; N191-V195 PolarHBondContact O-N 2.91Å; V195-M197 PolarHBondContact O-N 3.05Å; V195-W198 PolarHBondContact O-N 3.49Å; V195-C199 PolarHBondContact O-N 2.84Å; V195-C199 PolarHBondContact O-SG 3.4Å; V195-L221 HydrophobicContact CB-CB 4.49Å; V195-L221 HydrophobicContact CG2-CB 4.13Å; V195-L221 HydrophobicContact CG2-CD1 4.34Å; V195-L227 HydrophobicContact CG1-CD1 3.85Å |
| 196 | G | 97.3 | Very high | 93.3 | Very high | 0 Ų | 0 | 23.9 Ų | 23.9 | 0% | 0 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -58.6 | -48.4 | -178.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | R192 C199 M200 | R192-G196 WeakPolarHBondContact O-CA 3.19Å; R192-G196 PolarHBondContact O-N 3.4Å; G196-C199 WeakPolarHBondContact O-CB 3.49Å; G196-C199 PolarHBondContact O-N 3.08Å; G196-M200 WeakPolarHBondContact O-CG 3.28Å; G196-M200 PolarHBondContact O-N 3.02Å |
| 197 | M | 96.4 | Very high | 93.9 | Very high | 0 Ų | 0 | 25.9 Ų | 25.9 | 0% | 0 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -72 | -34.5 | -179.7 | -68.6 | -56.1 | -60.4 | 0 | 0 | 112.8 | I154 V193 V195 C199 M200 F201 W251 A265 V267 I326 | I154-M197 HydrophobicContact CD1-CB 3.94Å; I154-M197 HydrophobicContact CD1-CG 3.62Å; I154-M197 HydrophobicContact CG1-CB 3.95Å; I154-M197 HydrophobicContact CG1-CE 4.49Å; I154-M197 HydrophobicContact CG1-CG 3.99Å; I154-M197 HydrophobicContact CG2-CE 4.22Å; V193-M197 HydrophobicContact CG1-CG 4.31Å; V193-M197 VanDerWaalsContact O-CB 3.31Å; V193-M197 WeakPolarHBondContact O-CB 3.38Å; V193-M197 WeakPolarHBondContact O-CG 3.16Å; V193-M197 PolarHBondContact O-N 3.21Å; V195-M197 PolarHBondContact O-N 3.05Å; M197-C199 VanDerWaalsContact C-N 3.3Å; M197-C199 PolarHBondContact O-N 2.87Å; M197-M200 HydrophobicContact CE-CB 4.39Å; M197-M200 CarbonylContact O-C 3.54Å; M197-M200 WeakPolarHBondContact O-CB 3.49Å; M197-M200 PolarHBondContact O-N 3.04Å; M197-M200 VanDerWaalsContact O-N 3.12Å; M197-M200 HydrophobicContact SD-CB 4.42Å; M197-M200 HydrophobicContact SD-CG 4.18Å; M197-F201 HydrophobicContact CB-CD2 4.46Å; M197-F201 HydrophobicContact CB-CE2 3.91Å; M197-F201 HydrophobicContact CB-CZ 4.14Å; M197-F201 HydrophobicContact CE-CE1 3.61Å; M197-F201 HydrophobicContact CE-CE2 4.39Å; M197-F201 HydrophobicContact CE-CZ 3.52Å; M197-F201 WeakPolarHBondContact O-CB 3.32Å; M197-F201 WeakPolarHBondContact O-CD2 3.48Å; M197-F201 WeakPolarHBondContact O-CG 3.02Å; M197-F201 PolarHBondContact O-N 2.98Å; M197-W251 HydrophobicContact CE-CD2 3.78Å; M197-W251 HydrophobicContact CE-CE3 4.3Å; M197-W251 HydrophobicContact CE-CG 3.89Å; M197-W251 HydrophobicContact CE-CZ2 4.39Å; M197-A265 HydrophobicContact SD-CB 4.18Å; M197-V267 HydrophobicContact CE-CG2 4.48Å; M197-V267 HydrophobicContact CG-CG2 4.02Å; M197-V267 HydrophobicContact SD-CG2 3.51Å; M197-V267 VanDerWaalsContact SD-CG2 3.51Å; M197-I326 HydrophobicContact CG-CD1 4.12Å; M197-I326 HydrophobicContact SD-CD1 3.91Å |
| 198 | W | 95 | Very high | 94.1 | Very high | 0 Ų | 0 | 26 Ų | 26 | 0% | 0 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -61.8 | -39.8 | 170.9 | -94.6 | -118.8 | 0 | 0 | 0 | 112.1 | I150 F153 P176 D177 L179 H194 V195 F201 A202 A203 L205 | I150-W198 HydrophobicContact CG2-CZ3 4.22Å; F153-W198 HydrophobicContact CB-CH2 3.87Å; F153-W198 HydrophobicContact CB-CZ3 4.47Å; F153-W198 HydrophobicContact CG-CH2 4.28Å; P176-W198 HydrophobicContact CB-CH2 4.44Å; P176-W198 HydrophobicContact CB-CZ2 4Å; P176-W198 HydrophobicContact CG-CD2 4.09Å; P176-W198 HydrophobicContact CG-CG 4.35Å; P176-W198 HydrophobicContact CG-CZ2 4Å; P176-W198 WeakPolarHBondContact O-CZ2 3.23Å; D177-W198 PolarHBondContact O-NE1 3.01Å; L179-W198 HydrophobicContact CD2-CB 3.98Å; L179-W198 HydrophobicContact CD2-CD2 4.16Å; L179-W198 HydrophobicContact CD2-CG 3.66Å; H194-W198 AromaticContact CE1-CH2 3.39Å; H194-W198 WeakPolarHBondContact CE1-CH2 3.31Å; H194-W198 AromaticContact CE1-CZ2 3.57Å; H194-W198 AromaticContact CE1-CZ3 3.74Å; H194-W198 AromaticContact ND1-CH2 3.8Å; H194-W198 AromaticContact ND1-CZ3 3.7Å; H194-W198 WeakPolarHBondContact O-CB 3.1Å; H194-W198 PolarHBondContact O-N 2.91Å; H194-W198 VanDerWaalsContact O-N 3.15Å; V195-W198 PolarHBondContact O-N 3.49Å; W198-F201 HydrophobicContact CE3-CD2 4.5Å; W198-F201 PolarHBondContact O-N 3.42Å; W198-A202 PolarHBondContact O-N 2.84Å; W198-A203 HydrophobicContact CB-CB 4.2Å; W198-A203 HydrophobicContact CG-CB 4.06Å; W198-A203 WeakPolarHBondContact O-CB 3.47Å; W198-A203 PolarHBondContact O-N 2.64Å; W198-L205 HydrophobicContact CB-CD2 3.92Å |
| 199 | C | 96.5 | Very high | 93.9 | Very high | 1 Ų | 1 | 23.4 Ų | 23.4 | 1% | 0.007 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -63.4 | -42.3 | 171.8 | -64.4 | 0 | 0 | 0 | 0 | 111.3 | V195 G196 M197 F201 A202 L227 I230 N231 R253 | V195-C199 PolarHBondContact O-N 2.84Å; V195-C199 PolarHBondContact O-SG 3.4Å; G196-C199 WeakPolarHBondContact O-CB 3.49Å; G196-C199 PolarHBondContact O-N 3.08Å; M197-C199 VanDerWaalsContact C-N 3.3Å; M197-C199 PolarHBondContact O-N 2.87Å; C199-F201 PolarHBondContact O-N 3.46Å; C199-A202 PolarHBondContact O-N 3.38Å; C199-L227 HydrophobicContact CB-CD2 4.42Å; C199-L227 PolarHBondContact SG-O 3.3Å; C199-I230 HydrophobicContact CB-CG2 4.32Å; C199-N231 HydrophobicContact CB-CB 4.12Å; C199-R253 PolarHBondContact O-NH1 3.28Å |
| 200 | M | 95.1 | Very high | 93.8 | Very high | 0 Ų | 0 | 24.8 Ų | 24.8 | 0% | 0 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -60.6 | -42.8 | 174.6 | -68.8 | -67.6 | -68.3 | 0 | 0 | 111.9 | G196 M197 A202 V239 W251 R253 V263 A265 M328 | G196-M200 WeakPolarHBondContact O-CG 3.28Å; G196-M200 PolarHBondContact O-N 3.02Å; M197-M200 HydrophobicContact CE-CB 4.39Å; M197-M200 CarbonylContact O-C 3.54Å; M197-M200 WeakPolarHBondContact O-CB 3.49Å; M197-M200 PolarHBondContact O-N 3.04Å; M197-M200 VanDerWaalsContact O-N 3.12Å; M197-M200 HydrophobicContact SD-CB 4.42Å; M197-M200 HydrophobicContact SD-CG 4.18Å; M200-A202 PolarHBondContact O-N 3.47Å; M200-A202 VanDerWaalsContact O-N 3.11Å; M200-V239 HydrophobicContact CB-CG2 4.13Å; M200-V239 HydrophobicContact CE-CG2 3.67Å; M200-W251 HydrophobicContact CE-CB 4.2Å; M200-R253 HydrophobicContact CE-CB 3.99Å; M200-R253 WeakPolarHBondContact O-CD 3.19Å; M200-V263 HydrophobicContact CE-CG1 3.92Å; M200-V263 HydrophobicContact CE-CG2 4.47Å; M200-V263 HydrophobicContact SD-CB 4.06Å; M200-V263 HydrophobicContact SD-CG1 3.41Å; M200-V263 WeakPolarHBondContact SD-CG1 3.39Å; M200-V263 HydrophobicContact SD-CG2 3.51Å; M200-V263 VanDerWaalsContact SD-CG2 3.51Å; M200-A265 HydrophobicContact CE-CB 4.25Å; M200-A265 HydrophobicContact CG-CB 4.34Å; M200-A265 HydrophobicContact SD-CB 4.43Å; M200-M328 HydrophobicContact CG-SD 3.64Å; M200-M328 HydrophobicContact SD-CG 4.42Å; M200-M328 HydrophobicContact SD-SD 3.76Å |
| 201 | F | 92.3 | Very high | 93.6 | Very high | 9 Ų | 9 | 28.1 Ų | 28.1 | 4% | 0.039 | 15% | 0.153 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -69.2 | -6 | -179 | -61.4 | -34.4 | 0 | 0 | 0 | 114.6 | I154 H157 P176 M197 W198 C199 A203 V239 W251 | I154-F201 HydrophobicContact CB-CZ 4.28Å; I154-F201 HydrophobicContact CG1-CE2 4.01Å; I154-F201 HydrophobicContact CG1-CZ 3.93Å; I154-F201 HydrophobicContact CG2-CZ 4.36Å; H157-F201 HydrophobicContact CB-CE1 3.97Å; H157-F201 HydrophobicContact CB-CE2 4.48Å; H157-F201 HydrophobicContact CB-CZ 3.95Å; H157-F201 AromaticContact CD2-CD1 3.51Å; H157-F201 AromaticContact CD2-CE1 3.43Å; H157-F201 VanDerWaalsContact CD2-CE1 3.43Å; H157-F201 WeakPolarHBondContact CD2-CE1 3.14Å; H157-F201 AromaticContact CE1-CD1 3.98Å; H157-F201 AromaticContact CG-CD1 3.82Å; H157-F201 AromaticContact CG-CE1 3.67Å; H157-F201 AromaticContact NE2-CD1 3.61Å; P176-F201 HydrophobicContact CG-CD2 4.19Å; M197-F201 HydrophobicContact CB-CD2 4.46Å; M197-F201 HydrophobicContact CB-CE2 3.91Å; M197-F201 HydrophobicContact CB-CZ 4.14Å; M197-F201 HydrophobicContact CE-CE1 3.61Å; M197-F201 HydrophobicContact CE-CE2 4.39Å; M197-F201 HydrophobicContact CE-CZ 3.52Å; M197-F201 WeakPolarHBondContact O-CB 3.32Å; M197-F201 WeakPolarHBondContact O-CD2 3.48Å; M197-F201 WeakPolarHBondContact O-CG 3.02Å; M197-F201 PolarHBondContact O-N 2.98Å; W198-F201 HydrophobicContact CE3-CD2 4.5Å; W198-F201 PolarHBondContact O-N 3.42Å; C199-F201 PolarHBondContact O-N 3.46Å; F201-A203 HydrophobicContact CB-CB 4.17Å; F201-A203 PolarHBondContact O-N 3.19Å; F201-V239 HydrophobicContact CD1-CB 4.39Å; F201-V239 HydrophobicContact CD1-CG1 3.45Å; F201-V239 VanDerWaalsContact CD1-CG1 3.45Å; F201-V239 HydrophobicContact CE1-CG1 3.78Å; F201-W251 HydrophobicContact CE1-CE3 4.49Å; F201-W251 HydrophobicContact CE1-CH2 4.34Å; F201-W251 HydrophobicContact CE1-CZ3 4.1Å |
| 202 | A | 93.1 | Very high | 93.5 | Very high | 6 Ų | 6 | 31.2 Ų | 31.2 | 5% | 0.05 | 19% | 0.186 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 54.2 | 33.7 | -166.1 | 0 | 0 | 0 | 0 | 0 | 111.5 | W173 W198 C199 M200 | W173-A202 HydrophobicContact CE3-CB 3.88Å; W173-A202 HydrophobicContact CZ3-CB 3.66Å; W198-A202 PolarHBondContact O-N 2.84Å; C199-A202 PolarHBondContact O-N 3.38Å; M200-A202 PolarHBondContact O-N 3.47Å; M200-A202 VanDerWaalsContact O-N 3.11Å |
| 203 | A | 93.1 | Very high | 93.3 | Very high | 2 Ų | 2 | 35.1 Ų | 35.1 | 2% | 0.017 | 21% | 0.205 | C | C | . | . | trans | -72 | 151.7 | -176.3 | 0 | 0 | 0 | 0 | 0 | 111.4 | P176 W198 F201 L205 N231 | P176-A203 VanDerWaalsContact CD-CB 3.48Å; P176-A203 HydrophobicContact CG-CB 3.66Å; W198-A203 HydrophobicContact CB-CB 4.2Å; W198-A203 HydrophobicContact CG-CB 4.06Å; W198-A203 WeakPolarHBondContact O-CB 3.47Å; W198-A203 PolarHBondContact O-N 2.64Å; F201-A203 HydrophobicContact CB-CB 4.17Å; F201-A203 PolarHBondContact O-N 3.19Å; A203-L205 PolarHBondContact O-N 3.08Å; A203-N231 PolarHBondContact O-ND2 2Å | ||
| 204 | P | 94.1 | Very high | 93 | Very high | 24 Ų | 24 | 36.6 Ų | 36.6 | 16% | 0.156 | 21% | 0.213 | C | C | . | . | trans | -54.3 | 127.9 | 161.2 | -21.6 | 33.1 | 0 | 0 | 0 | 110.5 | L136 W173 N174 D175 L206 | L136-P204 HydrophobicContact CB-CG 4.27Å; L136-P204 HydrophobicContact CD1-CB 4.07Å; L136-P204 HydrophobicContact CD1-CG 3.51Å; L136-P204 HydrophobicContact CG-CG 4.5Å; W173-P204 HydrophobicContact CB-CG 4.33Å; N174-P204 WeakPolarHBondContact O-CD 3.37Å; D175-P204 HydrophobicContact CB-CG 4.12Å; P204-L206 VanDerWaalsContact C-N 3.31Å; P204-L206 HydrophobicContact CB-CD1 4.41Å; P204-L206 HydrophobicContact CB-CG 4.11Å; P204-L206 PolarHBondContact O-N 3.44Å | ||
| 205 | L | 95.1 | Very high | 92.9 | Very high | 44 Ų | 44 | 39.6 Ų | 39.6 | 23% | 0.23 | 23% | 0.229 | C | C | . | . | trans | -91.1 | 66.5 | 176.7 | -55.5 | -175.5 | 0 | 0 | 0 | 110.3 | L179 W198 A203 L228 N231 | L179-L205 HydrophobicContact CD1-CB 3.96Å; L179-L205 HydrophobicContact CD1-CD2 4.07Å; W198-L205 HydrophobicContact CB-CD2 3.92Å; A203-L205 PolarHBondContact O-N 3.08Å; L205-L228 HydrophobicContact CD1-CD2 3.82Å; L205-N231 HydrophobicContact CD1-CB 4.03Å; L205-N231 WeakPolarHBondContact CD1-OD1 3.43Å | ||
| 206 | L | 94 | Very high | 92.8 | Very high | 49 Ų | 49 | 48.9 Ų | 48.9 | 26% | 0.257 | 27% | 0.269 | S | S | . | . | trans | -83.6 | 115.5 | 177.5 | -63.1 | 176.9 | 0 | 0 | 0 | 109.9 | F79 M178 L179 P204 | F79-L206 HydrophobicContact CZ-CD1 4.39Å; M178-L206 CarbonylContact C-O 3.6Å; M178-L206 VanDerWaalsContact CA-O 3.24Å; M178-L206 WeakPolarHBondContact CA-O 3.45Å; M178-L206 WeakPolarHBondContact CB-O 3.32Å; M178-L206 HydrophobicContact CG-CB 4.16Å; L179-L206 PolarHBondContact N-O 2.92Å; P204-L206 VanDerWaalsContact C-N 3.31Å; P204-L206 HydrophobicContact CB-CD1 4.41Å; P204-L206 HydrophobicContact CB-CG 4.11Å; P204-L206 PolarHBondContact O-N 3.44Å | ||
| 207 | I | 93 | Very high | 92.6 | Very high | 82 Ų | 82 | 51 Ų | 51 | 42% | 0.421 | 28% | 0.278 | S | S | . | . | B | Isolated β-bridge | trans | -91.1 | 127.6 | -176.4 | -59.3 | 154.2 | 0 | 0 | 0 | 109.9 | L179 A209 M214 L222 | L179-I207 HydrophobicContact CB-CG1 4.41Å; L179-I207 HydrophobicContact CD1-CG1 4.38Å; I207-A209 HydrophobicContact CG2-CB 3.99Å; I207-M214 HydrophobicContact CG2-CE 4.21Å; I207-L222 HydrophobicContact CD1-CD1 3.71Å; I207-L222 HydrophobicContact CD1-CD2 4.08Å; I207-L222 HydrophobicContact CD1-CG 4.43Å; I207-L222 HydrophobicContact CG1-CD1 4.06Å; I207-L222 HydrophobicContact CG1-CD2 4.01Å; I207-L222 HydrophobicContact CG2-CD1 4.37Å |
| 208 | S | 91.7 | Very high | 92.5 | Very high | 60 Ų | 60 | 51 Ų | 51 | 42% | 0.42 | 28% | 0.278 | S | S | . | . | trans | -119.1 | 89.2 | 170.8 | -170.7 | 0 | 0 | 0 | 0 | 109.2 | M178 L179 | M178-S208 VanDerWaalsContact SD-CB 3.6Å; L179-S208 PolarHBondContact O-N 3.28Å | ||
| 209 | A | 88.5 | Confident | 92.4 | Very high | 27 Ų | 27 | 52 Ų | 52 | 22% | 0.223 | 29% | 0.286 | C | S | . | . | S | Bend | trans | -158.7 | 158.2 | -177.2 | 0 | 0 | 0 | 0 | 0 | 110.5 | L181 I207 I211 M214 | L181-A209 WeakPolarHBondContact O-CB 3.16Å; I207-A209 HydrophobicContact CG2-CB 3.99Å; A209-I211 PolarHBondContact O-N 3.33Å; A209-I211 VanDerWaalsContact O-N 3.08Å; A209-M214 HydrophobicContact CB-CE 3.73Å |
| 210 | D | 89.7 | Confident | 92.4 | Very high | 63 Ų | 63 | 54.9 Ų | 54.9 | 34% | 0.337 | 31% | 0.306 | S | S | . | . | trans | -75.2 | 95 | 165 | -173.4 | -16 | 0 | 0 | 0 | 108.3 | N183 G212 K213 M214 | N183-D210 WeakPolarHBondContact ND2-CB 3.31Å; N183-D210 PolarHBondContact ND2-N 3.21Å; D210-G212 PolarHBondContact O-N 3.02Å; D210-G212 VanDerWaalsContact O-N 3.13Å; D210-G212 PolarHBondContact OD1-N 3.32Å; D210-K213 HydrophobicContact CB-CB 4.27Å; D210-K213 HydrophobicContact CB-CD 4.49Å; D210-K213 HydrophobicContact CB-CG 4.5Å; D210-K213 PolarHBondContact O-N 2.86Å; D210-K213 WeakPolarHBondContact OD2-CD 3.36Å; D210-K213 WeakPolarHBondContact OD2-CE 3.18Å; D210-K213 WeakPolarHBondContact OD2-CG 3.29Å; D210-K213 IonicContact OD2-NZ 3.03Å; D210-K213 PolarHBondContact OD2-NZ 3.27Å; D210-M214 PolarHBondContact O-N 2.93Å | ||
| 211 | I | 89 | Confident | 92.4 | Very high | 137 Ų | 137 | 55.2 Ų | 55.2 | 70% | 0.703 | 31% | 0.308 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.7 | -20.8 | 180 | 51.9 | 171.1 | 0 | 0 | 0 | 113.3 | A209 K213 | A209-I211 PolarHBondContact O-N 3.33Å; A209-I211 VanDerWaalsContact O-N 3.08Å; I211-K213 VanDerWaalsContact C-N 3.35Å |
| 212 | G | 90.1 | Very high | 92.5 | Very high | 72 Ų | 72 | 56.2 Ų | 56.2 | 74% | 0.742 | 31% | 0.314 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77.8 | -19.5 | 175.4 | 0 | 0 | 0 | 0 | 0 | 113.6 | D210 | D210-G212 PolarHBondContact O-N 3.02Å; D210-G212 VanDerWaalsContact O-N 3.13Å; D210-G212 PolarHBondContact OD1-N 3.32Å |
| 213 | K | 89.9 | Confident | 92.6 | Very high | 154 Ų | 154 | 65.5 Ų | 65.5 | 67% | 0.67 | 35% | 0.347 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -111.9 | 1.3 | -178.6 | -63.6 | -178.7 | -172 | 160.5 | 0 | 113.8 | D210 I211 D215 | D210-K213 HydrophobicContact CB-CB 4.27Å; D210-K213 HydrophobicContact CB-CD 4.49Å; D210-K213 HydrophobicContact CB-CG 4.5Å; D210-K213 PolarHBondContact O-N 2.86Å; D210-K213 WeakPolarHBondContact OD2-CD 3.36Å; D210-K213 WeakPolarHBondContact OD2-CE 3.18Å; D210-K213 WeakPolarHBondContact OD2-CG 3.29Å; D210-K213 IonicContact OD2-NZ 3.03Å; D210-K213 PolarHBondContact OD2-NZ 3.27Å; I211-K213 VanDerWaalsContact C-N 3.35Å; K213-D215 PolarHBondContact O-N 3.08Å |
| 214 | M | 89.8 | Confident | 92.8 | Very high | 34 Ų | 34 | 66.2 Ų | 66.2 | 17% | 0.167 | 35% | 0.352 | C | S | . | . | trans | -63.9 | 129.2 | -178.5 | -173.3 | 173.1 | -65.8 | 0 | 0 | 111.6 | L181 I207 A209 D210 A219 L222 | L181-M214 HydrophobicContact CB-CE 4.48Å; I207-M214 HydrophobicContact CG2-CE 4.21Å; A209-M214 HydrophobicContact CB-CE 3.73Å; D210-M214 PolarHBondContact O-N 2.93Å; M214-A219 HydrophobicContact CG-CB 4.27Å; M214-A219 HydrophobicContact SD-CB 4.11Å; M214-L222 HydrophobicContact CE-CD1 3.74Å; M214-L222 HydrophobicContact SD-CD1 3.56Å; M214-L222 VanDerWaalsContact SD-CD1 3.56Å | ||
| 215 | D | 91.3 | Very high | 93 | Very high | 66 Ų | 66 | 73.1 Ų | 73.1 | 35% | 0.353 | 38% | 0.38 | S | S | . | . | trans | -67.7 | 159.4 | 176.9 | 73.3 | 85.7 | 0 | 0 | 0 | 112.4 | K213 F217 S218 A219 | K213-D215 PolarHBondContact O-N 3.08Å; D215-F217 VanDerWaalsContact C-N 3.28Å; D215-F217 PolarHBondContact O-N 3.05Å; D215-F217 WeakPolarHBondContact OD1-CA 3.33Å; D215-F217 VanDerWaalsContact OD1-CB 3.29Å; D215-F217 WeakPolarHBondContact OD1-CB 3.05Å; D215-F217 PolarHBondContact OD1-N 2.94Å; D215-S218 PolarHBondContact O-N 3.49Å; D215-S218 PolarHBondContact OD1-N 3.2Å; D215-S218 PolarHBondContact OD1-OG 2.87Å; D215-S218 WeakPolarHBondContact OD2-CB 2.95Å; D215-S218 PolarHBondContact OD2-OG 2.89Å; D215-A219 WeakPolarHBondContact O-CB 3.39Å; D215-A219 PolarHBondContact O-N 3.11Å | ||
| 216 | K | 93.1 | Very high | 93 | Very high | 197 Ų | 197 | 75.2 Ų | 75.2 | 86% | 0.857 | 39% | 0.388 | S | S | * | . | H | α-helix | trans | -60.7 | -35.4 | -176.8 | -68.5 | -177.2 | -179.6 | 177.6 | 0 | 112.9 | S220 | K216-S220 WeakPolarHBondContact O-CB 3.04Å; K216-S220 PolarHBondContact O-N 2.86Å |
| 217 | F | 93.8 | Very high | 93.1 | Very high | 45 Ų | 45 | 73 Ų | 73 | 20% | 0.197 | 38% | 0.377 | C | S | . | . | H | α-helix | trans | -70.3 | -50 | -178.2 | 177.6 | -93.7 | 0 | 0 | 0 | 110.6 | N188 N191 R192 D215 A219 S220 L221 | N188-F217 VanDerWaalsContact CA-CE1 3.5Å; N188-F217 HydrophobicContact CB-CD1 3.93Å; N188-F217 HydrophobicContact CB-CE1 3.43Å; N188-F217 VanDerWaalsContact CB-CE1 3.43Å; N188-F217 HydrophobicContact CB-CE2 4.21Å; N188-F217 HydrophobicContact CB-CG 4.5Å; N188-F217 HydrophobicContact CB-CZ 3.59Å; N188-F217 VanDerWaalsContact CG-CD1 3.42Å; N188-F217 WeakPolarHBondContact O-CE1 3.25Å; N188-F217 WeakPolarHBondContact OD1-CD1 3.01Å; N191-F217 HydrophobicContact CB-CE1 4.14Å; R192-F217 HydrophobicContact CG-CE1 4.5Å; R192-F217 HydrophobicContact CG-CZ 3.93Å; D215-F217 VanDerWaalsContact C-N 3.28Å; D215-F217 PolarHBondContact O-N 3.05Å; D215-F217 WeakPolarHBondContact OD1-CA 3.33Å; D215-F217 VanDerWaalsContact OD1-CB 3.29Å; D215-F217 WeakPolarHBondContact OD1-CB 3.05Å; D215-F217 PolarHBondContact OD1-N 2.94Å; F217-A219 VanDerWaalsContact C-N 3.32Å; F217-A219 PolarHBondContact O-N 3.3Å; F217-S220 WeakPolarHBondContact O-CB 3.45Å; F217-S220 PolarHBondContact O-N 2.63Å; F217-S220 VanDerWaalsContact O-N 3.08Å; F217-S220 PolarHBondContact O-OG 3.23Å; F217-L221 HydrophobicContact CD1-CD1 4.18Å; F217-L221 HydrophobicContact CE1-CD1 3.6Å; F217-L221 HydrophobicContact CE1-CG 4.18Å; F217-L221 HydrophobicContact CZ-CD1 4.13Å; F217-L221 HydrophobicContact CZ-CD2 4.42Å; F217-L221 HydrophobicContact CZ-CG 4.4Å; F217-L221 PolarHBondContact O-N 3.26Å; F217-L221 VanDerWaalsContact O-N 3.13Å |
| 218 | S | 93.5 | Very high | 93.3 | Very high | 0 Ų | 0 | 71.1 Ų | 71.1 | 0% | 0 | 37% | 0.367 | C | S | . | . | H | α-helix | trans | -57.1 | -45 | 175.1 | -67 | 0 | 0 | 0 | 0 | 112 | D215 S220 L221 L222 | D215-S218 PolarHBondContact O-N 3.49Å; D215-S218 PolarHBondContact OD1-N 3.2Å; D215-S218 PolarHBondContact OD1-OG 2.87Å; D215-S218 WeakPolarHBondContact OD2-CB 2.95Å; D215-S218 PolarHBondContact OD2-OG 2.89Å; S218-S220 VanDerWaalsContact C-N 3.3Å; S218-S220 PolarHBondContact O-N 2.9Å; S218-L221 PolarHBondContact O-N 3.16Å; S218-L222 PolarHBondContact O-N 3.01Å |
| 219 | A | 93.8 | Very high | 93.4 | Very high | 19 Ų | 19 | 72 Ų | 72 | 16% | 0.157 | 37% | 0.37 | C | S | . | . | H | α-helix | trans | -62.4 | -36.5 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | M214 D215 F217 L222 R223 | M214-A219 HydrophobicContact CG-CB 4.27Å; M214-A219 HydrophobicContact SD-CB 4.11Å; D215-A219 WeakPolarHBondContact O-CB 3.39Å; D215-A219 PolarHBondContact O-N 3.11Å; F217-A219 VanDerWaalsContact C-N 3.32Å; F217-A219 PolarHBondContact O-N 3.3Å; A219-L222 PolarHBondContact O-N 2.85Å; A219-R223 WeakPolarHBondContact O-CB 2.8Å; A219-R223 WeakPolarHBondContact O-CG 3.42Å; A219-R223 PolarHBondContact O-N 2.97Å; A219-R223 VanDerWaalsContact O-N 3.14Å |
| 220 | S | 95.4 | Very high | 93.8 | Very high | 62 Ų | 62 | 70.9 Ų | 70.9 | 43% | 0.434 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -65.1 | -37.8 | 177.2 | 79.6 | 0 | 0 | 0 | 0 | 112.4 | K216 F217 S218 R223 S224 | K216-S220 WeakPolarHBondContact O-CB 3.04Å; K216-S220 PolarHBondContact O-N 2.86Å; F217-S220 WeakPolarHBondContact O-CB 3.45Å; F217-S220 PolarHBondContact O-N 2.63Å; F217-S220 VanDerWaalsContact O-N 3.08Å; F217-S220 PolarHBondContact O-OG 3.23Å; S218-S220 VanDerWaalsContact C-N 3.3Å; S218-S220 PolarHBondContact O-N 2.9Å; S220-R223 PolarHBondContact O-N 2.81Å; S220-S224 PolarHBondContact O-N 2.96Å |
| 221 | L | 96.2 | Very high | 94 | Very high | 8 Ų | 8 | 69 Ų | 69 | 4% | 0.042 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -65.1 | -46 | 176.6 | -67.4 | 176.4 | 0 | 0 | 0 | 111.2 | N191 R192 V195 F217 S218 R223 S224 L227 F303 | N191-L221 HydrophobicContact CB-CD1 3.83Å; R192-L221 HydrophobicContact CG-CD1 4.35Å; R192-L221 HydrophobicContact CG-CD2 4.08Å; V195-L221 HydrophobicContact CB-CB 4.49Å; V195-L221 HydrophobicContact CG2-CB 4.13Å; V195-L221 HydrophobicContact CG2-CD1 4.34Å; F217-L221 HydrophobicContact CD1-CD1 4.18Å; F217-L221 HydrophobicContact CE1-CD1 3.6Å; F217-L221 HydrophobicContact CE1-CG 4.18Å; F217-L221 HydrophobicContact CZ-CD1 4.13Å; F217-L221 HydrophobicContact CZ-CD2 4.42Å; F217-L221 HydrophobicContact CZ-CG 4.4Å; F217-L221 PolarHBondContact O-N 3.26Å; F217-L221 VanDerWaalsContact O-N 3.13Å; S218-L221 PolarHBondContact O-N 3.16Å; L221-R223 PolarHBondContact O-N 2.87Å; L221-S224 WeakPolarHBondContact O-CB 3.31Å; L221-S224 PolarHBondContact O-N 3.22Å; L221-L227 HydrophobicContact CB-CD1 4.44Å; L221-L227 HydrophobicContact CD2-CD1 4.11Å; L221-F303 HydrophobicContact CD2-CD1 3.96Å; L221-F303 HydrophobicContact CD2-CE1 4.35Å |
| 222 | L | 94.7 | Very high | 94.2 | Very high | 30 Ų | 30 | 71 Ų | 71 | 16% | 0.157 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -65.1 | -26.4 | 178.9 | -68.6 | 178.2 | 0 | 0 | 0 | 113.6 | L179 L181 I207 M214 S218 A219 | L179-L222 HydrophobicContact CD1-CD2 3.59Å; L181-L222 HydrophobicContact CD1-CD1 3.89Å; L181-L222 HydrophobicContact CD1-CD2 3.44Å; L181-L222 VanDerWaalsContact CD1-CD2 3.44Å; L181-L222 HydrophobicContact CD1-CG 3.48Å; L181-L222 VanDerWaalsContact CD1-CG 3.48Å; I207-L222 HydrophobicContact CD1-CD1 3.71Å; I207-L222 HydrophobicContact CD1-CD2 4.08Å; I207-L222 HydrophobicContact CD1-CG 4.43Å; I207-L222 HydrophobicContact CG1-CD1 4.06Å; I207-L222 HydrophobicContact CG1-CD2 4.01Å; I207-L222 HydrophobicContact CG2-CD1 4.37Å; M214-L222 HydrophobicContact CE-CD1 3.74Å; M214-L222 HydrophobicContact SD-CD1 3.56Å; M214-L222 VanDerWaalsContact SD-CD1 3.56Å; S218-L222 PolarHBondContact O-N 3.01Å; A219-L222 PolarHBondContact O-N 2.85Å |
| 223 | R | 95.8 | Very high | 94.4 | Very high | 200 Ų | 200 | 67.9 Ų | 67.9 | 76% | 0.755 | 32% | 0.315 | S | S | * | . | H | α-helix | trans | -97.7 | -2.9 | 179.6 | -66.4 | 176.7 | -178 | 175.7 | 2.1 | 113.4 | A219 S220 L221 K225 | A219-R223 WeakPolarHBondContact O-CB 2.8Å; A219-R223 WeakPolarHBondContact O-CG 3.42Å; A219-R223 PolarHBondContact O-N 2.97Å; A219-R223 VanDerWaalsContact O-N 3.14Å; S220-R223 PolarHBondContact O-N 2.81Å; L221-R223 PolarHBondContact O-N 2.87Å; R223-K225 PolarHBondContact O-N 3.01Å; R223-K225 VanDerWaalsContact O-N 3.14Å |
| 224 | S | 97.2 | Very high | 94.4 | Very high | 18 Ų | 18 | 68.2 Ų | 68.2 | 13% | 0.126 | 32% | 0.317 | C | S | . | . | trans | -63.2 | 116.3 | -176.8 | 171.9 | 0 | 0 | 0 | 0 | 110.5 | S220 L221 H226 L227 L228 | S220-S224 PolarHBondContact O-N 2.96Å; L221-S224 WeakPolarHBondContact O-CB 3.31Å; L221-S224 PolarHBondContact O-N 3.22Å; S224-H226 PolarHBondContact O-N 2.66Å; S224-H226 PolarHBondContact OG-N 3.05Å; S224-L227 PolarHBondContact O-N 2.99Å; S224-L227 PolarHBondContact OG-N 3.04Å; S224-L228 WeakPolarHBondContact O-CB 3.48Å; S224-L228 VanDerWaalsContact O-CG 3.26Å; S224-L228 WeakPolarHBondContact O-CG 3.45Å; S224-L228 PolarHBondContact O-N 3.36Å | ||
| 225 | K | 96.4 | Very high | 94.3 | Very high | 168 Ų | 168 | 67.9 Ų | 67.9 | 73% | 0.73 | 32% | 0.322 | S | S | * | . | H | α-helix | trans | -58.4 | -37.9 | 176.6 | -67.6 | -176.7 | 179.9 | 178.6 | 0 | 111.2 | R223 L228 T229 | R223-K225 PolarHBondContact O-N 3.01Å; R223-K225 VanDerWaalsContact O-N 3.14Å; K225-L228 PolarHBondContact O-N 3.21Å; K225-T229 WeakPolarHBondContact O-CB 3.32Å; K225-T229 PolarHBondContact O-N 2.97Å; K225-T229 PolarHBondContact O-OG1 2.8Å |
| 226 | H | 95.6 | Very high | 94.1 | Very high | 89 Ų | 89 | 65 Ų | 65 | 41% | 0.412 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -64.6 | -44.7 | -179.9 | -56.2 | -65.2 | 0 | 0 | 0 | 112.4 | S224 I230 V302 G305 | S224-H226 PolarHBondContact O-N 2.66Å; S224-H226 PolarHBondContact OG-N 3.05Å; H226-I230 WeakPolarHBondContact O-CD1 3.13Å; H226-I230 WeakPolarHBondContact O-CG1 3.43Å; H226-I230 PolarHBondContact O-N 3.13Å; H226-V302 HydrophobicContact CB-CG1 4Å; H226-V302 WeakPolarHBondContact CB-O 3.41Å; H226-G305 VanDerWaalsContact NE2-CA 3.32Å; H226-G305 WeakPolarHBondContact NE2-CA 3.03Å |
| 227 | L | 97.3 | Very high | 93.9 | Very high | 1 Ų | 1 | 57.9 Ų | 57.9 | 1% | 0.005 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -66.3 | -44.8 | 175.6 | -72.5 | 171 | 0 | 0 | 0 | 111.5 | V195 C199 L221 S224 T229 I230 N231 V302 F303 M328 | V195-L227 HydrophobicContact CG1-CD1 3.85Å; C199-L227 HydrophobicContact CB-CD2 4.42Å; C199-L227 PolarHBondContact SG-O 3.3Å; L221-L227 HydrophobicContact CB-CD1 4.44Å; L221-L227 HydrophobicContact CD2-CD1 4.11Å; S224-L227 PolarHBondContact O-N 2.99Å; S224-L227 PolarHBondContact OG-N 3.04Å; L227-T229 PolarHBondContact O-N 3.48Å; L227-I230 PolarHBondContact O-N 2.86Å; L227-N231 PolarHBondContact O-N 2.94Å; L227-V302 HydrophobicContact CD2-CG1 3.71Å; L227-V302 HydrophobicContact CG-CG1 4.07Å; L227-F303 HydrophobicContact CD1-CD1 4.28Å; L227-F303 HydrophobicContact CD1-CE1 4.28Å; L227-F303 HydrophobicContact CD2-CE1 4.17Å; L227-M328 HydrophobicContact CD2-CE 3.33Å |
| 228 | L | 96.3 | Very high | 93.5 | Very high | 44 Ų | 44 | 57 Ų | 57 | 23% | 0.23 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -65.2 | -38.2 | -179.6 | -68.9 | 174.8 | 0 | 0 | 0 | 112.6 | L205 S224 K225 I230 N231 R232 | L205-L228 HydrophobicContact CD1-CD2 3.82Å; S224-L228 WeakPolarHBondContact O-CB 3.48Å; S224-L228 VanDerWaalsContact O-CG 3.26Å; S224-L228 WeakPolarHBondContact O-CG 3.45Å; S224-L228 PolarHBondContact O-N 3.36Å; K225-L228 PolarHBondContact O-N 3.21Å; L228-I230 VanDerWaalsContact C-N 3.31Å; L228-I230 PolarHBondContact O-N 3.09Å; L228-N231 PolarHBondContact O-N 3.19Å; L228-R232 VanDerWaalsContact O-CB 3.31Å; L228-R232 WeakPolarHBondContact O-CB 3.28Å; L228-R232 WeakPolarHBondContact O-CG 3.4Å; L228-R232 PolarHBondContact O-N 2.96Å |
| 229 | T | 94.4 | Very high | 93.5 | Very high | 77 Ų | 77 | 57 Ų | 57 | 47% | 0.472 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -62.8 | -38 | 174.6 | -66.8 | 0 | 0 | 0 | 0 | 111.7 | K225 L227 D233 | K225-T229 WeakPolarHBondContact O-CB 3.32Å; K225-T229 PolarHBondContact O-N 2.97Å; K225-T229 PolarHBondContact O-OG1 2.8Å; L227-T229 PolarHBondContact O-N 3.48Å; T229-D233 PolarHBondContact O-N 3.23Å |
| 230 | I | 95.6 | Very high | 93.4 | Very high | 4 Ų | 4 | 56.7 Ų | 56.7 | 2% | 0.021 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -68.3 | -45.2 | 176 | -66.1 | 159.7 | 0 | 0 | 0 | 110.8 | C199 H226 L227 L228 R253 L255 V263 V302 M328 | C199-I230 HydrophobicContact CB-CG2 4.32Å; H226-I230 WeakPolarHBondContact O-CD1 3.13Å; H226-I230 WeakPolarHBondContact O-CG1 3.43Å; H226-I230 PolarHBondContact O-N 3.13Å; L227-I230 PolarHBondContact O-N 2.86Å; L228-I230 VanDerWaalsContact C-N 3.31Å; L228-I230 PolarHBondContact O-N 3.09Å; I230-R253 PolarHBondContact O-NH1 3.26Å; I230-R253 PolarHBondContact O-NH2 3.09Å; I230-L255 HydrophobicContact CB-CD1 4.48Å; I230-L255 HydrophobicContact CG1-CD1 3.92Å; I230-L255 HydrophobicContact CG2-CD1 4.45Å; I230-L255 HydrophobicContact CG2-CD2 4.37Å; I230-V263 HydrophobicContact CD1-CG2 3.96Å; I230-V263 HydrophobicContact CG2-CG1 3.97Å; I230-V302 HydrophobicContact CD1-CB 4.22Å; I230-V302 HydrophobicContact CD1-CG1 3.44Å; I230-V302 VanDerWaalsContact CD1-CG1 3.44Å; I230-V302 HydrophobicContact CD1-CG2 3.66Å; I230-M328 HydrophobicContact CD1-CE 3.94Å |
| 231 | N | 95.3 | Very high | 93.3 | Very high | 23 Ų | 23 | 55.9 Ų | 55.9 | 12% | 0.123 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -61.8 | -45.9 | 179.2 | 177.6 | -105.2 | 0 | 0 | 0 | 111.8 | C199 A203 L205 L227 L228 D233 | C199-N231 HydrophobicContact CB-CB 4.12Å; A203-N231 PolarHBondContact O-ND2 2Å; L205-N231 HydrophobicContact CD1-CB 4.03Å; L205-N231 WeakPolarHBondContact CD1-OD1 3.43Å; L227-N231 PolarHBondContact O-N 2.94Å; L228-N231 PolarHBondContact O-N 3.19Å; N231-D233 VanDerWaalsContact C-N 3.31Å; N231-D233 PolarHBondContact O-N 2.84Å |
| 232 | R | 93.5 | Very high | 93.2 | Very high | 181 Ų | 181 | 56.7 Ų | 56.7 | 68% | 0.683 | 26% | 0.262 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -89.4 | 12.9 | -173.8 | -62.2 | -176.8 | 176.6 | -174.1 | -0.8 | 114.5 | L228 K234 | L228-R232 VanDerWaalsContact O-CB 3.31Å; L228-R232 WeakPolarHBondContact O-CB 3.28Å; L228-R232 WeakPolarHBondContact O-CG 3.4Å; L228-R232 PolarHBondContact O-N 2.96Å; R232-K234 PolarHBondContact O-N 3.12Å |
| 233 | D | 94.1 | Very high | 93.2 | Very high | 5 Ų | 5 | 59 Ų | 59 | 3% | 0.027 | 27% | 0.271 | C | S | . | . | trans | -52.4 | 122.6 | 177.9 | 176.5 | 75.9 | 0 | 0 | 0 | 111.3 | T229 N231 G235 G236 H237 L255 S256 D257 | T229-D233 PolarHBondContact O-N 3.23Å; N231-D233 VanDerWaalsContact C-N 3.31Å; N231-D233 PolarHBondContact O-N 2.84Å; D233-G235 PolarHBondContact O-N 3.1Å; D233-G235 VanDerWaalsContact O-N 3.08Å; D233-G235 WeakPolarHBondContact OD2-CA 3.17Å; D233-G235 PolarHBondContact OD2-N 3.29Å; D233-G235 VanDerWaalsContact OD2-N 3.1Å; D233-G236 PolarHBondContact O-N 3.02Å; D233-H237 IonicContact OD2-CD2 2.97Å; D233-L255 HydrophobicContact CB-CD2 3.6Å; D233-L255 WeakPolarHBondContact OD1-CA 3.1Å; D233-S256 PolarHBondContact OD1-N 3.34Å; D233-S256 PolarHBondContact OD2-N 2.8Å; D233-D257 WeakPolarHBondContact CA-OD2 3.42Å; D233-D257 PolarHBondContact OD1-N 3.43Å | ||
| 234 | K | 90.4 | Very high | 93.1 | Very high | 162 Ų | 162 | 52.6 Ų | 52.6 | 70% | 0.704 | 26% | 0.257 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.1 | -20.4 | -175.4 | -66.5 | -179.9 | -176.8 | 177.2 | 0 | 113.9 | R232 G236 D257 | R232-K234 PolarHBondContact O-N 3.12Å; K234-G236 PolarHBondContact O-N 2.82Å; K234-D257 WeakPolarHBondContact CB-OD1 3.46Å; K234-D257 WeakPolarHBondContact CD-OD1 3.26Å; K234-D257 WeakPolarHBondContact CG-OD1 3.47Å; K234-D257 PolarHBondContact N-OD2 3Å |
| 235 | G | 87.3 | Confident | 93 | Very high | 27 Ų | 27 | 56 Ų | 56 | 28% | 0.278 | 27% | 0.267 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -65.5 | -24.6 | 176.9 | 0 | 0 | 0 | 0 | 0 | 113.1 | D233 H237 S256 | D233-G235 PolarHBondContact O-N 3.1Å; D233-G235 VanDerWaalsContact O-N 3.08Å; D233-G235 WeakPolarHBondContact OD2-CA 3.17Å; D233-G235 PolarHBondContact OD2-N 3.29Å; D233-G235 VanDerWaalsContact OD2-N 3.1Å; G235-H237 PolarHBondContact O-N 3.03Å; G235-S256 WeakPolarHBondContact CA-OG 3.42Å |
| 236 | G | 86.6 | Confident | 92.7 | Very high | 6 Ų | 6 | 53.8 Ų | 53.8 | 6% | 0.062 | 26% | 0.263 | C | S | . | . | trans | 57.6 | 21.5 | -178.3 | 0 | 0 | 0 | 0 | 0 | 113.4 | D233 K234 | D233-G236 PolarHBondContact O-N 3.02Å; K234-G236 PolarHBondContact O-N 2.82Å | ||
| 237 | H | 88.6 | Confident | 92.6 | Very high | 47 Ų | 47 | 53 Ų | 53 | 22% | 0.218 | 26% | 0.262 | C | S | . | . | P | Polyproline II helix | trans | -62.8 | 138.3 | -177 | -68.6 | -60 | 0 | 0 | 0 | 110.3 | D233 G235 R253 K254 S256 Y290 | D233-H237 IonicContact OD2-CD2 2.97Å; G235-H237 PolarHBondContact O-N 3.03Å; H237-R253 HydrophobicContact CB-CG 4.43Å; H237-R253 WeakPolarHBondContact O-CD 3.27Å; H237-R253 PolarHBondContact O-NE 2.87Å; H237-K254 HydrophobicContact CB-CB 4.39Å; H237-K254 VanDerWaalsContact CB-O 3.23Å; H237-K254 WeakPolarHBondContact CB-O 3.41Å; H237-K254 PolarHBondContact CD2-O 3.36Å; H237-S256 PolarHBondContact NE2-OG 3.33Å; H237-Y290 WeakPolarHBondContact CB-OH 3.4Å |
| 238 | R | 86.8 | Confident | 92.6 | Very high | 26 Ų | 26 | 53 Ų | 53 | 10% | 0.098 | 26% | 0.262 | C | S | . | . | P | Polyproline II helix | trans | -72.4 | 156.3 | 175.8 | -59.9 | -173.6 | -56.9 | 174.6 | 5.5 | 110.6 | S164 P165 N166 Y290 | S164-R238 PolarHBondContact O-NH1 3.41Å; P165-R238 PolarHBondContact O-NH1 3.45Å; N166-R238 VanDerWaalsContact OD1-CZ 3.25Å; N166-R238 PolarHBondContact OD1-NH1 2.88Å; N166-R238 PolarHBondContact OD1-NH2 2.89Å; R238-Y290 VanDerWaalsContact O-CE2 3.24Å; R238-Y290 WeakPolarHBondContact O-CE2 3.5Å; R238-Y290 PolarHBondContact O-OH 2.8Å; R238-Y290 VanDerWaalsContact O-OH 3.13Å |
| 239 | V | 92.2 | Very high | 92.5 | Very high | 0 Ų | 0 | 51.2 Ų | 51.2 | 0% | 0 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.2 | 157.9 | 164 | 76.3 | 0 | 0 | 0 | 0 | 109.5 | H157 M200 F201 W251 I252 R253 | H157-V239 WeakPolarHBondContact NE2-CG1 3.12Å; M200-V239 HydrophobicContact CB-CG2 4.13Å; M200-V239 HydrophobicContact CE-CG2 3.67Å; F201-V239 HydrophobicContact CD1-CB 4.39Å; F201-V239 HydrophobicContact CD1-CG1 3.45Å; F201-V239 VanDerWaalsContact CD1-CG1 3.45Å; F201-V239 HydrophobicContact CE1-CG1 3.78Å; V239-W251 HydrophobicContact CG1-CE3 4.05Å; V239-W251 HydrophobicContact CG1-CZ3 4.09Å; V239-W251 HydrophobicContact CG2-CB 4.1Å; V239-W251 HydrophobicContact CG2-CE3 3.88Å; V239-I252 CarbonylContact C-O 3.55Å; V239-I252 WeakPolarHBondContact CA-O 3.34Å; V239-I252 WeakPolarHBondContact CG2-O 3.31Å; V239-R253 HydrophobicContact CB-CB 4.39Å; V239-R253 HydrophobicContact CG2-CB 4.28Å |
| 240 | K | 92.1 | Very high | 92.7 | Very high | 13 Ų | 13 | 47.6 Ų | 47.6 | 6% | 0.057 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128 | 135.8 | 163.7 | -74.3 | -57.8 | -172.1 | -178.6 | 0 | 111.7 | D161 D162 W251 I252 M289 Y290 | D161-K240 PolarHBondContact O-NZ 3.06Å; D161-K240 VanDerWaalsContact O-NZ 3.15Å; D161-K240 IonicContact OD1-NZ 3.5Å; D161-K240 PolarHBondContact OD1-NZ 3.11Å; D161-K240 WeakPolarHBondContact OD2-CD 3.49Å; D161-K240 IonicContact OD2-NZ 3.66Å; D161-K240 PolarHBondContact OD2-NZ 2.99Å; D161-K240 VanDerWaalsContact OD2-NZ 3.08Å; D162-K240 IonicContact OD1-NZ 2.77Å; K240-W251 WeakPolarHBondContact O-CA 3.21Å; K240-I252 HydrophobicContact CB-CG2 4.31Å; K240-I252 PolarHBondContact N-O 2.94Å; K240-I252 PolarHBondContact O-N 3.22Å; K240-M289 HydrophobicContact CD-CG 4.47Å; K240-M289 HydrophobicContact CD-SD 4.11Å; K240-M289 WeakPolarHBondContact CE-SD 3.44Å; K240-M289 HydrophobicContact CG-CB 4.09Å; K240-M289 HydrophobicContact CG-CG 4.23Å; K240-M289 HydrophobicContact CG-SD 4.13Å; K240-Y290 HydrophobicContact CB-CD2 4.23Å; K240-Y290 HydrophobicContact CB-CE2 4.49Å; K240-Y290 HydrophobicContact CG-CD2 4.08Å; K240-Y290 HydrophobicContact CG-CE2 4.03Å |
| 241 | F | 93.3 | Very high | 92.7 | Very high | 44 Ų | 44 | 47.4 Ų | 47.4 | 19% | 0.193 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -68.3 | 135.8 | 163.1 | 175.5 | -102.4 | 0 | 0 | 0 | 108.8 | K158 S244 Q249 W251 | K158-F241 HydrophobicContact CD-CD1 4.17Å; K158-F241 HydrophobicContact CD-CD2 3.86Å; K158-F241 HydrophobicContact CD-CE1 4.12Å; K158-F241 HydrophobicContact CD-CE2 3.79Å; K158-F241 HydrophobicContact CD-CG 4.04Å; K158-F241 HydrophobicContact CD-CZ 3.91Å; K158-F241 VanDerWaalsContact CE-CE1 3.43Å; K158-F241 VanDerWaalsContact CE-CZ 3.4Å; K158-F241 HydrophobicContact CG-CB 4.18Å; K158-F241 HydrophobicContact CG-CD1 4.04Å; K158-F241 HydrophobicContact CG-CD2 4.08Å; K158-F241 HydrophobicContact CG-CE1 4.45Å; K158-F241 HydrophobicContact CG-CE2 4.48Å; K158-F241 HydrophobicContact CG-CG 3.83Å; F241-S244 WeakPolarHBondContact CZ-OG 3.31Å; F241-Q249 HydrophobicContact CE2-CB 4.01Å; F241-Q249 HydrophobicContact CE2-CG 4.09Å; F241-W251 HydrophobicContact CB-CD2 4.33Å; F241-W251 HydrophobicContact CB-CE3 3.85Å; F241-W251 HydrophobicContact CB-CH2 3.96Å; F241-W251 HydrophobicContact CB-CZ2 4.37Å; F241-W251 HydrophobicContact CB-CZ3 3.66Å; F241-W251 HydrophobicContact CD2-CD2 4.24Å; F241-W251 AromaticContact CD2-CE2 3.85Å; F241-W251 HydrophobicContact CD2-CH2 4.29Å; F241-W251 AromaticContact CD2-CZ2 3.87Å; F241-W251 HydrophobicContact CD2-CZ2 3.87Å |
| 242 | V | 93.8 | Very high | 92.7 | Very high | 26 Ų | 26 | 46.3 Ų | 46.3 | 16% | 0.158 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.7 | -60.6 | 179 | -179.2 | 0 | 0 | 0 | 0 | 110.2 | L250 I252 K284 F285 | V242-L250 HydrophobicContact CB-CB 4.04Å; V242-L250 WeakPolarHBondContact CB-O 3.24Å; V242-L250 PolarHBondContact N-O 2.94Å; V242-I252 HydrophobicContact CG2-CB 4.22Å; V242-I252 HydrophobicContact CG2-CG2 3.55Å; V242-K284 WeakPolarHBondContact CG1-O 3.35Å; V242-F285 HydrophobicContact CG2-CD1 3.92Å |
| 243 | K | 94 | Very high | 92.8 | Very high | 79 Ų | 79 | 37.7 Ų | 37.7 | 34% | 0.343 | 19% | 0.191 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -172 | 168.6 | -179.5 | 62.4 | -170.6 | 177.4 | -173 | 0 | 111.4 | L250 | K243-L250 HydrophobicContact CG-CD2 4.41Å; K243-L250 PolarHBondContact O-N 2.83Å |
| 244 | S | 94.4 | Very high | 92.7 | Very high | 64 Ų | 64 | 41.9 Ų | 41.9 | 45% | 0.448 | 21% | 0.209 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.8 | 143.7 | 167.2 | -64.5 | 0 | 0 | 0 | 0 | 110.4 | F241 V248 | F241-S244 WeakPolarHBondContact CZ-OG 3.31Å; S244-V248 CarbonylContact C-O 3.49Å; S244-V248 WeakPolarHBondContact CA-O 3.03Å |
| 245 | R | 94.8 | Very high | 92.9 | Very high | 89 Ų | 89 | 34.2 Ų | 34.2 | 34% | 0.336 | 18% | 0.176 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -148.9 | 124.8 | 169.3 | -175.1 | -178.7 | 67.4 | 169.2 | 2.5 | 109.5 | D247 V248 F278 I279 | R245-D247 PolarHBondContact O-N 3.34Å; R245-V248 PolarHBondContact N-O 3.36Å; R245-V248 WeakPolarHBondContact O-CB 3.38Å; R245-V248 PolarHBondContact O-N 3.26Å; R245-F278 HydrophobicContact CB-CE2 4.33Å; R245-F278 HydrophobicContact CB-CZ 4.34Å; R245-F278 HydrophobicContact CG-CE2 4.49Å; R245-F278 VanDerWaalsContact NE-CZ 3.3Å; R245-F278 VanDerWaalsContact NH2-CE2 3.28Å; R245-I279 PolarHBondContact NH1-O 3.23Å; R245-I279 PolarHBondContact NH2-O 3.49Å |
| 246 | N | 91.2 | Very high | 93 | Very high | 122 Ų | 122 | 35.6 Ų | 35.6 | 65% | 0.652 | 18% | 0.181 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 50.3 | 53.1 | 177.6 | -54.2 | -12.5 | 0 | 0 | 0 | 112.6 | V248 | N246-V248 PolarHBondContact O-N 3.06Å; N246-V248 VanDerWaalsContact O-N 3.1Å |
| 247 | D | 93 | Very high | 92.6 | Very high | 73 Ų | 73 | 37.2 Ų | 37.2 | 39% | 0.39 | 19% | 0.188 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 62.7 | 9.4 | -176 | -44.7 | -42.3 | 0 | 0 | 0 | 116 | R245 R268 T269 R270 | R245-D247 PolarHBondContact O-N 3.34Å; D247-R268 CarbonylContact O-C 3.55Å; D247-R268 WeakPolarHBondContact O-CA 3.06Å; D247-T269 PolarHBondContact O-N 3.01Å; D247-T269 PolarHBondContact O-OG1 3.39Å; D247-T269 VanDerWaalsContact O-OG1 3.14Å; D247-R270 HydrophobicContact CB-CB 3.8Å; D247-R270 WeakPolarHBondContact OD2-CD 3.17Å; D247-R270 IonicContact OD2-NE 3.45Å; D247-R270 PolarHBondContact OD2-NE 3.17Å |
| 248 | V | 96.3 | Very high | 91.8 | Very high | 0 Ų | 0 | 43.4 Ų | 43.4 | 0% | 0 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.7 | 120.1 | 176.2 | -173 | 0 | 0 | 0 | 0 | 109.8 | S244 R245 N246 L250 Y266 V267 I276 F278 I321 | S244-V248 CarbonylContact C-O 3.49Å; S244-V248 WeakPolarHBondContact CA-O 3.03Å; R245-V248 PolarHBondContact N-O 3.36Å; R245-V248 WeakPolarHBondContact O-CB 3.38Å; R245-V248 PolarHBondContact O-N 3.26Å; N246-V248 PolarHBondContact O-N 3.06Å; N246-V248 VanDerWaalsContact O-N 3.1Å; V248-L250 HydrophobicContact CG1-CD1 4.03Å; V248-Y266 HydrophobicContact CG1-CD1 4.26Å; V248-V267 CarbonylContact C-O 3.59Å; V248-V267 WeakPolarHBondContact CA-O 3.35Å; V248-I276 HydrophobicContact CG2-CD1 3.65Å; V248-F278 HydrophobicContact CB-CD2 4.24Å; V248-F278 HydrophobicContact CB-CE2 3.74Å; V248-F278 HydrophobicContact CB-CZ 4.03Å; V248-F278 HydrophobicContact CG1-CE2 4.25Å; V248-F278 HydrophobicContact CG1-CZ 4.15Å; V248-F278 HydrophobicContact CG2-CD2 3.83Å; V248-F278 HydrophobicContact CG2-CE2 3.81Å; V248-I321 HydrophobicContact CG1-CD1 3.85Å; V248-I321 HydrophobicContact CG2-CD1 4.1Å |
| 249 | Q | 96.1 | Very high | 91.2 | Very high | 7 Ų | 7 | 45.3 Ų | 45.3 | 3% | 0.033 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.8 | 133.7 | 170.5 | -61.7 | -174.4 | -1 | 0 | 0 | 110.5 | N155 F241 W251 Y266 V267 T269 | N155-Q249 PolarHBondContact OD1-NE2 3.13Å; F241-Q249 HydrophobicContact CE2-CB 4.01Å; F241-Q249 HydrophobicContact CE2-CG 4.09Å; Q249-W251 VanDerWaalsContact OE1-CZ2 3.29Å; Q249-W251 VanDerWaalsContact OE1-NE1 3.11Å; Q249-Y266 CarbonylContact O-C 3.54Å; Q249-Y266 WeakPolarHBondContact O-CA 3.49Å; Q249-V267 HydrophobicContact CB-CB 4.42Å; Q249-V267 PolarHBondContact N-O 2.81Å; Q249-V267 PolarHBondContact O-N 3.11Å; Q249-T269 HydrophobicContact CG-CG2 3.75Å |
| 250 | L | 96.9 | Very high | 90.7 | Very high | 2 Ų | 2 | 48.3 Ų | 48.3 | 1% | 0.01 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.3 | 130.2 | 176.4 | -82.3 | 63 | 0 | 0 | 0 | 109.3 | V242 K243 V248 A265 Y266 F278 F285 | V242-L250 HydrophobicContact CB-CB 4.04Å; V242-L250 WeakPolarHBondContact CB-O 3.24Å; V242-L250 PolarHBondContact N-O 2.94Å; K243-L250 HydrophobicContact CG-CD2 4.41Å; K243-L250 PolarHBondContact O-N 2.83Å; V248-L250 HydrophobicContact CG1-CD1 4.03Å; L250-A265 WeakPolarHBondContact CA-O 3.32Å; L250-Y266 HydrophobicContact CD1-CD1 3.88Å; L250-Y266 HydrophobicContact CD1-CE1 4.31Å; L250-Y266 HydrophobicContact CD2-CE1 4.19Å; L250-Y266 HydrophobicContact CG-CD1 3.85Å; L250-Y266 HydrophobicContact CG-CE1 3.95Å; L250-F278 HydrophobicContact CD1-CE1 4.17Å; L250-F278 HydrophobicContact CD1-CZ 3.87Å; L250-F285 HydrophobicContact CB-CD1 4.44Å; L250-F285 HydrophobicContact CB-CE1 3.74Å; L250-F285 HydrophobicContact CB-CZ 4.05Å; L250-F285 HydrophobicContact CD2-CE1 4.22Å; L250-F285 HydrophobicContact CD2-CE2 4.04Å; L250-F285 HydrophobicContact CD2-CZ 3.8Å; L250-F285 HydrophobicContact CG-CE1 3.96Å; L250-F285 HydrophobicContact CG-CE2 4.44Å; L250-F285 HydrophobicContact CG-CZ 3.71Å |
| 251 | W | 96.6 | Very high | 90.6 | Very high | 0 Ų | 0 | 47.9 Ų | 47.9 | 0% | 0 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.5 | 146.7 | -179.3 | -61.3 | 84.8 | 0 | 0 | 0 | 110.8 | I154 K158 M197 M200 F201 V239 K240 F241 Q249 I264 A265 F285 | I154-W251 HydrophobicContact CG2-CH2 4.3Å; I154-W251 HydrophobicContact CG2-CZ2 3.52Å; K158-W251 HydrophobicContact CB-CH2 3.67Å; K158-W251 HydrophobicContact CB-CZ2 4.11Å; K158-W251 HydrophobicContact CG-CH2 4.5Å; M197-W251 HydrophobicContact CE-CD2 3.78Å; M197-W251 HydrophobicContact CE-CE3 4.3Å; M197-W251 HydrophobicContact CE-CG 3.89Å; M197-W251 HydrophobicContact CE-CZ2 4.39Å; M200-W251 HydrophobicContact CE-CB 4.2Å; F201-W251 HydrophobicContact CE1-CE3 4.49Å; F201-W251 HydrophobicContact CE1-CH2 4.34Å; F201-W251 HydrophobicContact CE1-CZ3 4.1Å; V239-W251 HydrophobicContact CG1-CE3 4.05Å; V239-W251 HydrophobicContact CG1-CZ3 4.09Å; V239-W251 HydrophobicContact CG2-CB 4.1Å; V239-W251 HydrophobicContact CG2-CE3 3.88Å; K240-W251 WeakPolarHBondContact O-CA 3.21Å; F241-W251 HydrophobicContact CB-CD2 4.33Å; F241-W251 HydrophobicContact CB-CE3 3.85Å; F241-W251 HydrophobicContact CB-CH2 3.96Å; F241-W251 HydrophobicContact CB-CZ2 4.37Å; F241-W251 HydrophobicContact CB-CZ3 3.66Å; F241-W251 HydrophobicContact CD2-CD2 4.24Å; F241-W251 AromaticContact CD2-CE2 3.85Å; F241-W251 HydrophobicContact CD2-CH2 4.29Å; F241-W251 AromaticContact CD2-CZ2 3.87Å; F241-W251 HydrophobicContact CD2-CZ2 3.87Å; Q249-W251 VanDerWaalsContact OE1-CZ2 3.29Å; Q249-W251 VanDerWaalsContact OE1-NE1 3.11Å; W251-I264 CarbonylContact O-C 3.52Å; W251-I264 VanDerWaalsContact O-CA 3.28Å; W251-I264 WeakPolarHBondContact O-CA 3.2Å; W251-A265 HydrophobicContact CB-CB 4.26Å; W251-A265 PolarHBondContact N-O 3Å; W251-A265 PolarHBondContact O-N 3.38Å; W251-F285 VanDerWaalsContact O-CE1 3.28Å; W251-F285 WeakPolarHBondContact O-CE1 3.47Å |
| 252 | I | 95.7 | Very high | 90.7 | Very high | 0 Ų | 0 | 46.8 Ų | 46.8 | 0% | 0 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.6 | 140.9 | 177.5 | -177.5 | 162.7 | 0 | 0 | 0 | 111.1 | V239 K240 V242 W262 V263 I264 F285 Y290 I292 | V239-I252 CarbonylContact C-O 3.55Å; V239-I252 WeakPolarHBondContact CA-O 3.34Å; V239-I252 WeakPolarHBondContact CG2-O 3.31Å; K240-I252 HydrophobicContact CB-CG2 4.31Å; K240-I252 PolarHBondContact N-O 2.94Å; K240-I252 PolarHBondContact O-N 3.22Å; V242-I252 HydrophobicContact CG2-CB 4.22Å; V242-I252 HydrophobicContact CG2-CG2 3.55Å; I252-W262 HydrophobicContact CD1-CB 4.32Å; I252-W262 HydrophobicContact CD1-CG 4.16Å; I252-W262 HydrophobicContact CG1-CB 4.38Å; I252-V263 WeakPolarHBondContact CA-O 3.06Å; I252-I264 HydrophobicContact CB-CG2 4.42Å; I252-I264 HydrophobicContact CD1-CG2 4.37Å; I252-I264 HydrophobicContact CG1-CG2 4.25Å; I252-F285 HydrophobicContact CB-CD1 4.03Å; I252-F285 HydrophobicContact CD1-CB 3.85Å; I252-Y290 HydrophobicContact CG2-CD2 4.13Å; I252-I292 HydrophobicContact CD1-CD1 4.02Å; I252-I292 HydrophobicContact CD1-CG1 3.64Å |
| 253 | R | 93.9 | Very high | 90.9 | Very high | 0 Ų | 0 | 45.5 Ų | 45.5 | 0% | 0 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.6 | 136.8 | 167.9 | 172.9 | 169.3 | 176.2 | -147.1 | -3.9 | 109.8 | C199 M200 I230 H237 V239 L255 W262 V263 | C199-R253 PolarHBondContact O-NH1 3.28Å; M200-R253 HydrophobicContact CE-CB 3.99Å; M200-R253 WeakPolarHBondContact O-CD 3.19Å; I230-R253 PolarHBondContact O-NH1 3.26Å; I230-R253 PolarHBondContact O-NH2 3.09Å; H237-R253 HydrophobicContact CB-CG 4.43Å; H237-R253 WeakPolarHBondContact O-CD 3.27Å; H237-R253 PolarHBondContact O-NE 2.87Å; V239-R253 HydrophobicContact CB-CB 4.39Å; V239-R253 HydrophobicContact CG2-CB 4.28Å; R253-L255 HydrophobicContact CG-CD2 4.19Å; R253-W262 CarbonylContact O-C 3.43Å; R253-W262 WeakPolarHBondContact O-CA 3.49Å; R253-V263 HydrophobicContact CB-CG1 3.71Å; R253-V263 HydrophobicContact CG-CG1 4.3Å; R253-V263 PolarHBondContact N-O 2.81Å; R253-V263 PolarHBondContact O-N 2.02Å |
| 254 | K | 93.5 | Very high | 91.1 | Very high | 92 Ų | 92 | 41.8 Ų | 41.8 | 40% | 0.4 | 22% | 0.223 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -78.3 | 144.7 | 170.1 | -175.1 | 177.4 | -179.6 | -179.8 | 0 | 109.3 | H237 Y290 | H237-K254 HydrophobicContact CB-CB 4.39Å; H237-K254 VanDerWaalsContact CB-O 3.23Å; H237-K254 WeakPolarHBondContact CB-O 3.41Å; H237-K254 PolarHBondContact CD2-O 3.36Å; K254-Y290 HydrophobicContact CB-CD1 3.8Å; K254-Y290 HydrophobicContact CB-CE1 3.48Å; K254-Y290 VanDerWaalsContact CB-CE1 3.48Å; K254-Y290 HydrophobicContact CD-CD1 4.49Å; K254-Y290 HydrophobicContact CD-CE1 4.24Å; K254-Y290 HydrophobicContact CG-CE1 4.5Å |
| 255 | L | 93.4 | Very high | 91.2 | Very high | 2 Ų | 2 | 38.7 Ų | 38.7 | 1% | 0.01 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.5 | 135.8 | 174.5 | -60 | 179 | 0 | 0 | 0 | 109 | I230 D233 R253 G261 V263 R330 | I230-L255 HydrophobicContact CB-CD1 4.48Å; I230-L255 HydrophobicContact CG1-CD1 3.92Å; I230-L255 HydrophobicContact CG2-CD1 4.45Å; I230-L255 HydrophobicContact CG2-CD2 4.37Å; D233-L255 HydrophobicContact CB-CD2 3.6Å; D233-L255 WeakPolarHBondContact OD1-CA 3.1Å; R253-L255 HydrophobicContact CG-CD2 4.19Å; L255-G261 PolarHBondContact N-O 3.47Å; L255-G261 PolarHBondContact O-N 3.12Å; L255-V263 HydrophobicContact CD1-CB 4.05Å; L255-V263 HydrophobicContact CD1-CG1 3.98Å; L255-V263 HydrophobicContact CD2-CG1 4.34Å; L255-V263 HydrophobicContact CG-CG1 4.19Å; L255-R330 VanDerWaalsContact CD1-NH1 3.3Å |
| 256 | S | 89.2 | Confident | 91.4 | Very high | 55 Ų | 55 | 34.5 Ų | 34.5 | 39% | 0.385 | 19% | 0.186 | S | C | . | . | trans | -91.4 | -28.6 | 178.9 | -73.9 | 0 | 0 | 0 | 0 | 112.9 | D233 G235 H237 | D233-S256 PolarHBondContact OD1-N 3.34Å; D233-S256 PolarHBondContact OD2-N 2.8Å; G235-S256 WeakPolarHBondContact CA-OG 3.42Å; H237-S256 PolarHBondContact NE2-OG 3.33Å | ||
| 257 | D | 78.9 | Confident | 91.7 | Very high | 40 Ų | 40 | 28.7 Ų | 28.7 | 21% | 0.214 | 16% | 0.155 | C | C | . | . | S | Bend | trans | -70.3 | 150.5 | -177.7 | -75.3 | -21.9 | 0 | 0 | 0 | 112.1 | D233 K234 P259 S260 | D233-D257 WeakPolarHBondContact CA-OD2 3.42Å; D233-D257 PolarHBondContact OD1-N 3.43Å; K234-D257 WeakPolarHBondContact CB-OD1 3.46Å; K234-D257 WeakPolarHBondContact CD-OD1 3.26Å; K234-D257 WeakPolarHBondContact CG-OD1 3.47Å; K234-D257 PolarHBondContact N-OD2 3Å; D257-P259 CarbonylContact O-C 3.46Å; D257-S260 VanDerWaalsContact O-CA 3.3Å; D257-S260 WeakPolarHBondContact O-CA 3.32Å; D257-S260 PolarHBondContact O-N 3.46Å; D257-S260 VanDerWaalsContact O-N 3.12Å |
| 258 | H | 71 | Confident | 91.8 | Very high | 178 Ų | 178 | 25.2 Ų | 25.2 | 82% | 0.824 | 14% | 0.136 | S | C | * | . | S | Bend | trans | -71.4 | 134.4 | -177.2 | -69.9 | -76.5 | 0 | 0 | 0 | 112.7 | ||
| 259 | P | 75.3 | Confident | 91.6 | Very high | 66 Ų | 66 | 27.4 Ų | 27.4 | 43% | 0.429 | 15% | 0.15 | S | C | . | . | S | Bend | cis | -72.6 | 131.1 | -6.2 | 30 | -32.3 | 0 | 0 | 0 | 109.8 | D257 R330 I332 | D257-P259 CarbonylContact O-C 3.46Å; P259-R330 PolarHBondContact O-NH2 3.42Å; P259-I332 HydrophobicContact CB-CG2 3.86Å; P259-I332 HydrophobicContact CG-CD1 3.68Å; P259-I332 HydrophobicContact CG-CG1 3.92Å; P259-I332 HydrophobicContact CG-CG2 4.06Å |
| 260 | S | 80.4 | Confident | 91.3 | Very high | 62 Ų | 62 | 31.5 Ų | 31.5 | 43% | 0.434 | 17% | 0.165 | S | C | . | . | P | Polyproline II helix | trans | -65.8 | 156.7 | 178 | 59.9 | 0 | 0 | 0 | 0 | 110.8 | D257 P333 | D257-S260 VanDerWaalsContact O-CA 3.3Å; D257-S260 WeakPolarHBondContact O-CA 3.32Å; D257-S260 PolarHBondContact O-N 3.46Å; D257-S260 VanDerWaalsContact O-N 3.12Å; S260-P333 WeakPolarHBondContact O-CD 3.11Å |
| 261 | G | 91.5 | Very high | 90.8 | Very high | 5 Ų | 5 | 35.6 Ų | 35.6 | 5% | 0.052 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 156.6 | -139.1 | -178.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | L255 | L255-G261 PolarHBondContact N-O 3.47Å; L255-G261 PolarHBondContact O-N 3.12Å |
| 262 | W | 95.6 | Very high | 90.5 | Very high | 20 Ų | 20 | 39.7 Ų | 39.7 | 8% | 0.076 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.8 | 160.3 | -179 | -54.9 | -95.1 | 0 | 0 | 0 | 112.2 | I252 R253 I292 S293 F297 R330 I331 P333 | I252-W262 HydrophobicContact CD1-CB 4.32Å; I252-W262 HydrophobicContact CD1-CG 4.16Å; I252-W262 HydrophobicContact CG1-CB 4.38Å; R253-W262 CarbonylContact O-C 3.43Å; R253-W262 WeakPolarHBondContact O-CA 3.49Å; W262-I292 HydrophobicContact CB-CG1 4.49Å; W262-I292 HydrophobicContact CD2-CB 4.39Å; W262-I292 HydrophobicContact CD2-CG1 3.99Å; W262-I292 HydrophobicContact CD2-CG2 4.31Å; W262-I292 HydrophobicContact CE3-CB 4.45Å; W262-I292 HydrophobicContact CE3-CG1 4.35Å; W262-I292 HydrophobicContact CE3-CG2 3.87Å; W262-I292 HydrophobicContact CG-CG1 4.03Å; W262-I292 HydrophobicContact CH2-CG2 4.36Å; W262-I292 HydrophobicContact CZ3-CG2 3.9Å; W262-S293 VanDerWaalsContact CH2-N 3.34Å; W262-S293 VanDerWaalsContact CH2-O 3.31Å; W262-S293 WeakPolarHBondContact CH2-O 3.46Å; W262-F297 AromaticContact CZ3-CE1 3.96Å; W262-F297 HydrophobicContact CZ3-CE1 3.96Å; W262-R330 PolarHBondContact O-NH1 2.58Å; W262-I331 HydrophobicContact CB-CB 4.32Å; W262-I331 HydrophobicContact CE3-CG2 4.41Å; W262-I331 PolarHBondContact N-O 3.34Å; W262-I331 VanDerWaalsContact N-O 3.13Å; W262-I331 PolarHBondContact O-N 3.44Å; W262-P333 HydrophobicContact CZ3-CG 3.95Å |
| 263 | V | 96.8 | Very high | 90.2 | Very high | 0 Ų | 0 | 42.2 Ų | 42.2 | 0% | 0 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.9 | 136.7 | 159.8 | 57.3 | 0 | 0 | 0 | 0 | 107.5 | M200 I230 I252 R253 L255 V302 M328 F329 | M200-V263 HydrophobicContact CE-CG1 3.92Å; M200-V263 HydrophobicContact CE-CG2 4.47Å; M200-V263 HydrophobicContact SD-CB 4.06Å; M200-V263 HydrophobicContact SD-CG1 3.41Å; M200-V263 WeakPolarHBondContact SD-CG1 3.39Å; M200-V263 HydrophobicContact SD-CG2 3.51Å; M200-V263 VanDerWaalsContact SD-CG2 3.51Å; I230-V263 HydrophobicContact CD1-CG2 3.96Å; I230-V263 HydrophobicContact CG2-CG1 3.97Å; I252-V263 WeakPolarHBondContact CA-O 3.06Å; R253-V263 HydrophobicContact CB-CG1 3.71Å; R253-V263 HydrophobicContact CG-CG1 4.3Å; R253-V263 PolarHBondContact N-O 2.81Å; R253-V263 PolarHBondContact O-N 2.02Å; L255-V263 HydrophobicContact CD1-CB 4.05Å; L255-V263 HydrophobicContact CD1-CG1 3.98Å; L255-V263 HydrophobicContact CD2-CG1 4.34Å; L255-V263 HydrophobicContact CG-CG1 4.19Å; V263-V302 HydrophobicContact CG2-CG2 4.39Å; V263-M328 HydrophobicContact CG2-CG 3.76Å; V263-M328 HydrophobicContact CG2-SD 4.25Å; V263-F329 VanDerWaalsContact CA-O 3.31Å; V263-F329 WeakPolarHBondContact CA-O 3.21Å; V263-F329 WeakPolarHBondContact CG2-O 3.37Å |
| 264 | I | 97.7 | Very high | 90.2 | Very high | 0 Ų | 0 | 53 Ų | 53 | 0% | 0 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.1 | 144.6 | 175.8 | 62.5 | 172.9 | 0 | 0 | 0 | 109.9 | W251 I252 Y266 L282 F285 I292 M328 F329 I331 | W251-I264 CarbonylContact O-C 3.52Å; W251-I264 VanDerWaalsContact O-CA 3.28Å; W251-I264 WeakPolarHBondContact O-CA 3.2Å; I252-I264 HydrophobicContact CB-CG2 4.42Å; I252-I264 HydrophobicContact CD1-CG2 4.37Å; I252-I264 HydrophobicContact CG1-CG2 4.25Å; I264-Y266 HydrophobicContact CD1-CE2 3.79Å; I264-Y266 HydrophobicContact CG1-CE2 4.26Å; I264-L282 HydrophobicContact CD1-CD2 3.85Å; I264-F285 HydrophobicContact CB-CD1 3.96Å; I264-F285 HydrophobicContact CB-CE1 3.61Å; I264-F285 HydrophobicContact CB-CE2 4.31Å; I264-F285 HydrophobicContact CB-CG 4.41Å; I264-F285 HydrophobicContact CB-CZ 3.8Å; I264-F285 HydrophobicContact CD1-CD2 4.2Å; I264-F285 HydrophobicContact CD1-CE2 3.73Å; I264-F285 HydrophobicContact CD1-CZ 3.9Å; I264-F285 HydrophobicContact CG1-CZ 4.33Å; I264-F285 HydrophobicContact CG2-CB 4.37Å; I264-F285 HydrophobicContact CG2-CD1 3.58Å; I264-F285 HydrophobicContact CG2-CD2 4.15Å; I264-F285 HydrophobicContact CG2-CE1 3.81Å; I264-F285 HydrophobicContact CG2-CE2 4.37Å; I264-F285 HydrophobicContact CG2-CG 3.75Å; I264-F285 HydrophobicContact CG2-CZ 4.19Å; I264-I292 HydrophobicContact CG2-CD1 4.15Å; I264-M328 WeakPolarHBondContact O-CA 3.35Å; I264-M328 WeakPolarHBondContact O-CG 3.48Å; I264-F329 HydrophobicContact CD1-CB 4.48Å; I264-F329 HydrophobicContact CD1-CD2 4.42Å; I264-F329 HydrophobicContact CG1-CB 3.97Å; I264-F329 HydrophobicContact CG1-CD2 4.33Å; I264-F329 PolarHBondContact N-O 3.5Å; I264-F329 PolarHBondContact O-N 3.14Å; I264-I331 HydrophobicContact CD1-CD1 3.76Å; I264-I331 HydrophobicContact CD1-CG1 4.07Å; I264-I331 HydrophobicContact CG1-CD1 3.94Å; I264-I331 HydrophobicContact CG1-CG1 3.95Å; I264-I331 HydrophobicContact CG2-CG1 4.16Å |
| 265 | A | 98.3 | Very high | 90.2 | Very high | 0 Ų | 0 | 51.1 Ų | 51.1 | 0% | 0 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.8 | 141.1 | 175.5 | 0 | 0 | 0 | 0 | 0 | 111.3 | M197 M200 L250 W251 I326 M327 M328 | M197-A265 HydrophobicContact SD-CB 4.18Å; M200-A265 HydrophobicContact CE-CB 4.25Å; M200-A265 HydrophobicContact CG-CB 4.34Å; M200-A265 HydrophobicContact SD-CB 4.43Å; L250-A265 WeakPolarHBondContact CA-O 3.32Å; W251-A265 HydrophobicContact CB-CB 4.26Å; W251-A265 PolarHBondContact N-O 3Å; W251-A265 PolarHBondContact O-N 3.38Å; A265-I326 HydrophobicContact CB-CD1 3.96Å; A265-I326 HydrophobicContact CB-CG1 4.34Å; A265-M327 WeakPolarHBondContact CA-O 3.43Å; A265-M328 HydrophobicContact CB-CG 4.12Å; A265-M328 HydrophobicContact CB-SD 4.32Å |
| 266 | Y | 98 | Very high | 90.4 | Very high | 0 Ų | 0 | 53 Ų | 53 | 0% | 0 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.2 | 107.4 | 171.3 | -57.7 | -94.6 | 0 | 0 | 0 | 107.8 | V248 Q249 L250 I264 F278 T280 F285 I319 I326 M327 F329 | V248-Y266 HydrophobicContact CG1-CD1 4.26Å; Q249-Y266 CarbonylContact O-C 3.54Å; Q249-Y266 WeakPolarHBondContact O-CA 3.49Å; L250-Y266 HydrophobicContact CD1-CD1 3.88Å; L250-Y266 HydrophobicContact CD1-CE1 4.31Å; L250-Y266 HydrophobicContact CD2-CE1 4.19Å; L250-Y266 HydrophobicContact CG-CD1 3.85Å; L250-Y266 HydrophobicContact CG-CE1 3.95Å; I264-Y266 HydrophobicContact CD1-CE2 3.79Å; I264-Y266 HydrophobicContact CG1-CE2 4.26Å; Y266-F278 HydrophobicContact CD1-CD1 4.07Å; Y266-F278 AromaticContact CD1-CE1 3.71Å; Y266-F278 HydrophobicContact CD1-CE1 3.71Å; Y266-F278 HydrophobicContact CE1-CD1 4.15Å; Y266-F278 AromaticContact CE1-CE1 3.74Å; Y266-F278 HydrophobicContact CE1-CE1 3.74Å; Y266-T280 HydrophobicContact CE1-CG2 3.75Å; Y266-T280 WeakPolarHBondContact OH-CG2 3.48Å; Y266-T280 PolarHBondContact OH-OG1 3.41Å; Y266-F285 HydrophobicContact CD1-CZ 4.19Å; Y266-F285 AromaticContact CE1-CE2 3.83Å; Y266-F285 HydrophobicContact CE1-CE2 3.83Å; Y266-F285 AromaticContact CE1-CZ 3.53Å; Y266-F285 HydrophobicContact CE1-CZ 3.53Å; Y266-F285 HydrophobicContact CE2-CE2 4.36Å; Y266-F285 AromaticContact CE2-CZ 3.96Å; Y266-F285 HydrophobicContact CE2-CZ 3.96Å; Y266-F285 AromaticContact CZ-CE2 3.54Å; Y266-F285 AromaticContact CZ-CZ 3.42Å; Y266-F285 VanDerWaalsContact CZ-CZ 3.42Å; Y266-F285 WeakPolarHBondContact OH-CE2 3.35Å; Y266-I319 HydrophobicContact CD1-CD1 3.55Å; Y266-I319 HydrophobicContact CD2-CD1 3.41Å; Y266-I319 VanDerWaalsContact CD2-CD1 3.41Å; Y266-I319 HydrophobicContact CE1-CD1 3.82Å; Y266-I319 HydrophobicContact CE2-CD1 3.69Å; Y266-I319 HydrophobicContact CG-CD1 3.31Å; Y266-I326 VanDerWaalsContact O-CA 3.27Å; Y266-I326 WeakPolarHBondContact O-CA 3.39Å; Y266-M327 HydrophobicContact CD2-CB 4.4Å; Y266-M327 PolarHBondContact N-O 3.29Å; Y266-M327 PolarHBondContact O-N 2.87Å; Y266-F329 HydrophobicContact CD2-CD2 4.15Å; Y266-F329 HydrophobicContact CD2-CE2 4.01Å; Y266-F329 AromaticContact CE2-CD2 3.81Å; Y266-F329 HydrophobicContact CE2-CD2 3.81Å; Y266-F329 AromaticContact CE2-CE2 3.85Å; Y266-F329 HydrophobicContact CE2-CE2 3.85Å |
| 267 | V | 97.2 | Very high | 90.7 | Very high | 0 Ų | 0 | 57.7 Ų | 57.7 | 0% | 0 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.1 | 117.5 | -177.5 | -177.9 | 0 | 0 | 0 | 0 | 109.2 | I151 V193 M197 V248 Q249 T269 I326 | I151-V267 HydrophobicContact CD1-CG1 4.13Å; V193-V267 HydrophobicContact CG1-CG1 4.16Å; M197-V267 HydrophobicContact CE-CG2 4.48Å; M197-V267 HydrophobicContact CG-CG2 4.02Å; M197-V267 HydrophobicContact SD-CG2 3.51Å; M197-V267 VanDerWaalsContact SD-CG2 3.51Å; V248-V267 CarbonylContact C-O 3.59Å; V248-V267 WeakPolarHBondContact CA-O 3.35Å; Q249-V267 HydrophobicContact CB-CB 4.42Å; Q249-V267 PolarHBondContact N-O 2.81Å; Q249-V267 PolarHBondContact O-N 3.11Å; V267-T269 PolarHBondContact O-N 3.28Å; V267-I326 HydrophobicContact CG2-CB 4.48Å; V267-I326 HydrophobicContact CG2-CD1 3.96Å; V267-I326 HydrophobicContact CG2-CG1 4.08Å |
| 268 | R | 95.2 | Very high | 91.6 | Very high | 0 Ų | 0 | 56 Ų | 56 | 0% | 0 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.7 | 111 | 173.9 | -170.8 | 172.4 | -175.6 | -108.5 | -6.4 | 109 | D247 R270 D272 I321 N322 S324 G325 | D247-R268 CarbonylContact O-C 3.55Å; D247-R268 WeakPolarHBondContact O-CA 3.06Å; R268-R270 VanDerWaalsContact C-N 3.33Å; R268-R270 VanDerWaalsContact NH2-NE 3.18Å; R268-R270 VanDerWaalsContact NH2-NH2 3.12Å; R268-D272 PolarHBondContact NH1-O 3.26Å; R268-D272 PolarHBondContact NH2-O 2.92Å; R268-D272 VanDerWaalsContact NH2-O 3.08Å; R268-I321 HydrophobicContact CB-CG2 3.78Å; R268-N322 WeakPolarHBondContact CD-O 2.93Å; R268-S324 WeakPolarHBondContact O-CA 3.42Å; R268-G325 PolarHBondContact N-O 3.11Å |
| 269 | T | 91.5 | Very high | 92.8 | Very high | 47 Ų | 47 | 52 Ų | 52 | 29% | 0.288 | 27% | 0.272 | S | S | . | . | trans | -78.5 | -21.1 | -176.7 | 53.7 | 0 | 0 | 0 | 0 | 113.1 | I151 D247 Q249 V267 | I151-T269 HydrophobicContact CG2-CG2 4.39Å; D247-T269 PolarHBondContact O-N 3.01Å; D247-T269 PolarHBondContact O-OG1 3.39Å; D247-T269 VanDerWaalsContact O-OG1 3.14Å; Q249-T269 HydrophobicContact CG-CG2 3.75Å; V267-T269 PolarHBondContact O-N 3.28Å | ||
| 270 | R | 90.4 | Very high | 93.9 | Very high | 93 Ų | 93 | 49.1 Ų | 49.1 | 35% | 0.351 | 25% | 0.253 | S | S | . | . | trans | -76.4 | 132.1 | 176.1 | -175.4 | 156.1 | 78.1 | 104.5 | -8.6 | 110.8 | D247 R268 D272 P323 S324 | D247-R270 HydrophobicContact CB-CB 3.8Å; D247-R270 WeakPolarHBondContact OD2-CD 3.17Å; D247-R270 IonicContact OD2-NE 3.45Å; D247-R270 PolarHBondContact OD2-NE 3.17Å; R268-R270 VanDerWaalsContact C-N 3.33Å; R268-R270 VanDerWaalsContact NH2-NE 3.18Å; R268-R270 VanDerWaalsContact NH2-NH2 3.12Å; R270-D272 WeakPolarHBondContact CD-OD1 3.35Å; R270-D272 WeakPolarHBondContact CG-OD1 3.38Å; R270-D272 IonicContact CZ-OD1 2.64Å; R270-D272 IonicContact NE-OD1 3.87Å; R270-D272 IonicContact NH1-OD1 3.71Å; R270-D272 PolarHBondContact NH1-OD1 3.14Å; R270-D272 IonicContact NH1-OD2 3.74Å; R270-D272 PolarHBondContact NH1-OD2 3.08Å; R270-P323 WeakPolarHBondContact O-CA 3.03Å; R270-S324 PolarHBondContact O-N 2.93Å | ||
| 271 | D | 87.3 | Confident | 94.6 | Very high | 87 Ų | 87 | 46.3 Ų | 46.3 | 47% | 0.465 | 23% | 0.233 | S | C | . | . | trans | -100.4 | -4.2 | -173.5 | 62.3 | -12.4 | 0 | 0 | 0 | 114.5 | R190 P323 S324 | R190-D271 IonicContact NH2-OD2 3.02Å; D271-P323 WeakPolarHBondContact O-CB 3.42Å; D271-S324 VanDerWaalsContact CA-OG 3.3Å; D271-S324 WeakPolarHBondContact CA-OG 3.28Å; D271-S324 WeakPolarHBondContact CB-OG 3.48Å | ||
| 272 | D | 88.8 | Confident | 94.9 | Very high | 86 Ų | 86 | 46.1 Ų | 46.1 | 46% | 0.46 | 23% | 0.231 | S | C | . | . | S | Bend | trans | -111.6 | 172.9 | 177.7 | 75.6 | -22.3 | 0 | 0 | 0 | 113.7 | R268 R270 | R268-D272 PolarHBondContact NH1-O 3.26Å; R268-D272 PolarHBondContact NH2-O 2.92Å; R268-D272 VanDerWaalsContact NH2-O 3.08Å; R270-D272 WeakPolarHBondContact CD-OD1 3.35Å; R270-D272 WeakPolarHBondContact CG-OD1 3.38Å; R270-D272 IonicContact CZ-OD1 2.64Å; R270-D272 IonicContact NE-OD1 3.87Å; R270-D272 IonicContact NH1-OD1 3.71Å; R270-D272 PolarHBondContact NH1-OD1 3.14Å; R270-D272 IonicContact NH1-OD2 3.74Å; R270-D272 PolarHBondContact NH1-OD2 3.08Å |
| 273 | G | 90.2 | Very high | 94.9 | Very high | 53 Ų | 53 | 47.7 Ų | 47.7 | 55% | 0.546 | 24% | 0.241 | S | C | . | . | S | Bend | trans | 83.1 | -166.1 | 176.7 | 0 | 0 | 0 | 0 | 0 | 114.6 | P323 | G273-P323 WeakPolarHBondContact O-CG 3.07Š|
| 274 | R | 93.4 | Very high | 94.7 | Very high | 227 Ų | 227 | 51.4 Ų | 51.4 | 86% | 0.857 | 26% | 0.257 | S | S | * | . | P | Polyproline II helix | trans | -96 | 169.5 | 178.3 | -62.8 | -177.7 | -177.8 | 177 | 0.9 | 110.8 | I276 | R274-I276 PolarHBondContact O-N 2.9Š|
| 275 | S | 94.8 | Very high | 94.5 | Very high | 52 Ų | 52 | 51.5 Ų | 51.5 | 36% | 0.364 | 26% | 0.257 | S | S | . | . | P | Polyproline II helix | trans | -51.8 | 137.8 | 166.8 | 178.3 | 0 | 0 | 0 | 0 | 110.5 | I321 N322 | S275-I321 WeakPolarHBondContact CA-O 3.31Å; S275-I321 PolarHBondContact OG-O 3.01Å; S275-N322 WeakPolarHBondContact CB-OD1 3.28Å |
| 276 | I | 96.1 | Very high | 94.1 | Very high | 42 Ų | 42 | 58.6 Ų | 58.6 | 22% | 0.215 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.1 | 153.2 | 173.1 | 62.6 | 170.2 | 0 | 0 | 0 | 110.6 | V248 R274 F278 S320 I321 | V248-I276 HydrophobicContact CG2-CD1 3.65Å; R274-I276 PolarHBondContact O-N 2.9Å; I276-F278 HydrophobicContact CD1-CD2 4.44Å; I276-S320 VanDerWaalsContact O-CA 3.32Å; I276-S320 WeakPolarHBondContact O-CA 3.28Å; I276-I321 HydrophobicContact CG1-CB 4.3Å; I276-I321 PolarHBondContact N-O 3.47Å; I276-I321 PolarHBondContact O-N 3.32Å |
| 277 | K | 96.9 | Very high | 93.4 | Very high | 154 Ų | 154 | 59.7 Ų | 59.7 | 67% | 0.67 | 30% | 0.296 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -95.5 | 119.5 | 164.5 | -63.6 | -65.6 | -176.8 | 179.4 | 0 | 108.3 | T318 I319 S320 | K277-T318 HydrophobicContact CB-CG2 3.91Å; K277-T318 HydrophobicContact CD-CG2 4.08Å; K277-T318 HydrophobicContact CG-CG2 4.48Å; K277-I319 WeakPolarHBondContact CA-O 3.01Å; K277-S320 WeakPolarHBondContact CD-OG 3.29Å; K277-S320 PolarHBondContact NZ-OG 3.45Å |
| 278 | F | 96.6 | Very high | 92.7 | Very high | 5 Ų | 5 | 68.6 Ų | 68.6 | 2% | 0.022 | 34% | 0.338 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.9 | 112.4 | -175.9 | -171.5 | -95.1 | 0 | 0 | 0 | 110 | R245 V248 L250 Y266 I276 T280 T318 I319 I321 | R245-F278 HydrophobicContact CB-CE2 4.33Å; R245-F278 HydrophobicContact CB-CZ 4.34Å; R245-F278 HydrophobicContact CG-CE2 4.49Å; R245-F278 VanDerWaalsContact NE-CZ 3.3Å; R245-F278 VanDerWaalsContact NH2-CE2 3.28Å; V248-F278 HydrophobicContact CB-CD2 4.24Å; V248-F278 HydrophobicContact CB-CE2 3.74Å; V248-F278 HydrophobicContact CB-CZ 4.03Å; V248-F278 HydrophobicContact CG1-CE2 4.25Å; V248-F278 HydrophobicContact CG1-CZ 4.15Å; V248-F278 HydrophobicContact CG2-CD2 3.83Å; V248-F278 HydrophobicContact CG2-CE2 3.81Å; L250-F278 HydrophobicContact CD1-CE1 4.17Å; L250-F278 HydrophobicContact CD1-CZ 3.87Å; Y266-F278 HydrophobicContact CD1-CD1 4.07Å; Y266-F278 AromaticContact CD1-CE1 3.71Å; Y266-F278 HydrophobicContact CD1-CE1 3.71Å; Y266-F278 HydrophobicContact CE1-CD1 4.15Å; Y266-F278 AromaticContact CE1-CE1 3.74Å; Y266-F278 HydrophobicContact CE1-CE1 3.74Å; I276-F278 HydrophobicContact CD1-CD2 4.44Å; F278-T280 HydrophobicContact CD1-CG2 4.27Å; F278-T318 WeakPolarHBondContact O-CA 3.25Å; F278-I319 HydrophobicContact CB-CD1 4.35Å; F278-I319 HydrophobicContact CB-CG1 3.76Å; F278-I319 HydrophobicContact CD1-CD1 3.91Å; F278-I319 HydrophobicContact CD1-CG1 4.11Å; F278-I319 HydrophobicContact CG-CG1 4.41Å; F278-I319 PolarHBondContact N-O 3.46Å; F278-I319 WeakPolarHBondContact O-CG1 3.12Å; F278-I319 PolarHBondContact O-N 2.97Å; F278-I321 HydrophobicContact CB-CD1 4.27Å |
| 279 | I | 97.3 | Very high | 92 | Very high | 94 Ų | 94 | 72.7 Ų | 72.7 | 48% | 0.482 | 36% | 0.358 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.8 | 120.8 | -178.8 | -57 | 173.6 | 0 | 0 | 0 | 109.7 | R245 K316 F317 T318 | R245-I279 PolarHBondContact NH1-O 3.23Å; R245-I279 PolarHBondContact NH2-O 3.49Å; I279-K316 HydrophobicContact CG2-CB 4.17Å; I279-K316 HydrophobicContact CG2-CD 4.13Å; I279-K316 HydrophobicContact CG2-CG 4.48Å; I279-F317 WeakPolarHBondContact CA-O 3.39Å; I279-T318 HydrophobicContact CG1-CG2 4.46Å |
| 280 | T | 97.2 | Very high | 91.9 | Very high | 4 Ų | 4 | 71.3 Ų | 71.3 | 3% | 0.025 | 35% | 0.347 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.1 | 175.3 | -172.2 | -169.2 | 0 | 0 | 0 | 0 | 111.3 | Y266 F278 K316 F317 I319 | Y266-T280 HydrophobicContact CE1-CG2 3.75Å; Y266-T280 WeakPolarHBondContact OH-CG2 3.48Å; Y266-T280 PolarHBondContact OH-OG1 3.41Å; F278-T280 HydrophobicContact CD1-CG2 4.27Å; T280-K316 CarbonylContact O-C 3.59Å; T280-K316 VanDerWaalsContact O-CA 3.24Å; T280-K316 WeakPolarHBondContact O-CA 3.36Å; T280-F317 HydrophobicContact CG2-CD2 3.95Å; T280-F317 HydrophobicContact CG2-CE1 4.28Å; T280-F317 HydrophobicContact CG2-CE2 3.46Å; T280-F317 VanDerWaalsContact CG2-CE2 3.46Å; T280-F317 HydrophobicContact CG2-CZ 3.66Å; T280-F317 PolarHBondContact N-O 2.78Å; T280-F317 PolarHBondContact O-N 3.27Å; T280-I319 HydrophobicContact CG2-CD1 4.47Å |
| 281 | S | 96.7 | Very high | 91.8 | Very high | 4 Ų | 4 | 70.7 Ų | 70.7 | 3% | 0.028 | 35% | 0.354 | C | S | . | . | trans | -151.7 | 159.4 | 177.6 | 50.4 | 0 | 0 | 0 | 0 | 109.4 | D283 K284 E315 | S281-D283 WeakPolarHBondContact CB-OD1 3.49Å; S281-D283 PolarHBondContact O-N 3.22Å; S281-D283 PolarHBondContact OG-OD1 2.96Å; S281-K284 WeakPolarHBondContact O-CB 3.48Å; S281-K284 WeakPolarHBondContact O-CG 3.47Å; S281-K284 PolarHBondContact O-N 2.87Å; S281-E315 WeakPolarHBondContact CB-O 3.45Å | ||
| 282 | L | 96.8 | Very high | 92.1 | Very high | 0 Ų | 0 | 66.8 Ų | 66.8 | 0% | 0 | 33% | 0.333 | C | S | . | . | G | 310 helix | trans | -69.9 | -30.7 | -172.5 | -63.9 | 179.8 | 0 | 0 | 0 | 112.8 | I264 K284 F285 I292 F297 I299 V311 L313 F317 I331 | I264-L282 HydrophobicContact CD1-CD2 3.85Å; L282-K284 PolarHBondContact O-N 3.34Å; L282-F285 PolarHBondContact O-N 3.04Å; L282-I292 HydrophobicContact CB-CD1 4.28Å; L282-I292 HydrophobicContact CD2-CD1 4.39Å; L282-F297 HydrophobicContact CD1-CB 3.84Å; L282-F297 HydrophobicContact CD1-CD2 3.53Å; L282-F297 HydrophobicContact CD1-CE2 4.26Å; L282-F297 HydrophobicContact CD1-CG 3.75Å; L282-I299 HydrophobicContact CD1-CD1 4.43Å; L282-I299 HydrophobicContact CD2-CD1 4.16Å; L282-V311 HydrophobicContact CD1-CG2 3.83Å; L282-V311 HydrophobicContact CG-CG2 4.21Å; L282-L313 HydrophobicContact CB-CD1 3.9Å; L282-L313 WeakPolarHBondContact CB-O 3.36Å; L282-L313 PolarHBondContact N-O 3.06Å; L282-F317 HydrophobicContact CD2-CE1 4.12Å; L282-F317 HydrophobicContact CD2-CZ 4.17Å; L282-F317 HydrophobicContact CG-CE1 4.2Å; L282-I331 HydrophobicContact CD1-CG2 3.97Å; L282-I331 HydrophobicContact CD2-CD1 3.72Å; L282-I331 HydrophobicContact CD2-CG1 4.2Å; L282-I331 HydrophobicContact CD2-CG2 4.45Å |
| 283 | D | 94.5 | Very high | 92 | Very high | 54 Ų | 54 | 66.4 Ų | 66.4 | 29% | 0.289 | 34% | 0.338 | S | S | . | . | G | 310 helix | trans | -57.8 | -17.7 | 173.6 | 72.2 | -62.2 | 0 | 0 | 0 | 113.4 | S281 F285 L313 T314 | S281-D283 WeakPolarHBondContact CB-OD1 3.49Å; S281-D283 PolarHBondContact O-N 3.22Å; S281-D283 PolarHBondContact OG-OD1 2.96Å; D283-F285 VanDerWaalsContact C-N 3.26Å; D283-F285 PolarHBondContact O-N 2.78Å; D283-L313 HydrophobicContact CB-CG 4.26Å; D283-L313 PolarHBondContact N-O 2.82Å; D283-T314 HydrophobicContact CB-CG2 4.22Å |
| 284 | K | 94.2 | Very high | 92 | Very high | 78 Ų | 78 | 66.1 Ų | 66.1 | 34% | 0.339 | 33% | 0.334 | S | S | . | . | G | 310 helix | trans | -73.9 | -15.2 | 176 | -55.3 | -48.6 | 175.7 | -149 | 0 | 113.5 | V242 S281 L282 K286 | V242-K284 WeakPolarHBondContact CG1-O 3.35Å; S281-K284 WeakPolarHBondContact O-CB 3.48Å; S281-K284 WeakPolarHBondContact O-CG 3.47Å; S281-K284 PolarHBondContact O-N 2.87Å; L282-K284 PolarHBondContact O-N 3.34Å; K284-K286 PolarHBondContact O-N 3.22Å |
| 285 | F | 93.9 | Very high | 91.8 | Very high | 1 Ų | 1 | 62.7 Ų | 62.7 | 0% | 0.004 | 32% | 0.322 | C | S | . | . | trans | -92.6 | 72.5 | 176.1 | -69 | -94.6 | 0 | 0 | 0 | 111.2 | V242 L250 W251 I252 I264 Y266 L282 D283 I292 | V242-F285 HydrophobicContact CG2-CD1 3.92Å; L250-F285 HydrophobicContact CB-CD1 4.44Å; L250-F285 HydrophobicContact CB-CE1 3.74Å; L250-F285 HydrophobicContact CB-CZ 4.05Å; L250-F285 HydrophobicContact CD2-CE1 4.22Å; L250-F285 HydrophobicContact CD2-CE2 4.04Å; L250-F285 HydrophobicContact CD2-CZ 3.8Å; L250-F285 HydrophobicContact CG-CE1 3.96Å; L250-F285 HydrophobicContact CG-CE2 4.44Å; L250-F285 HydrophobicContact CG-CZ 3.71Å; W251-F285 VanDerWaalsContact O-CE1 3.28Å; W251-F285 WeakPolarHBondContact O-CE1 3.47Å; I252-F285 HydrophobicContact CB-CD1 4.03Å; I252-F285 HydrophobicContact CD1-CB 3.85Å; I264-F285 HydrophobicContact CB-CD1 3.96Å; I264-F285 HydrophobicContact CB-CE1 3.61Å; I264-F285 HydrophobicContact CB-CE2 4.31Å; I264-F285 HydrophobicContact CB-CG 4.41Å; I264-F285 HydrophobicContact CB-CZ 3.8Å; I264-F285 HydrophobicContact CD1-CD2 4.2Å; I264-F285 HydrophobicContact CD1-CE2 3.73Å; I264-F285 HydrophobicContact CD1-CZ 3.9Å; I264-F285 HydrophobicContact CG1-CZ 4.33Å; I264-F285 HydrophobicContact CG2-CB 4.37Å; I264-F285 HydrophobicContact CG2-CD1 3.58Å; I264-F285 HydrophobicContact CG2-CD2 4.15Å; I264-F285 HydrophobicContact CG2-CE1 3.81Å; I264-F285 HydrophobicContact CG2-CE2 4.37Å; I264-F285 HydrophobicContact CG2-CG 3.75Å; I264-F285 HydrophobicContact CG2-CZ 4.19Å; Y266-F285 HydrophobicContact CD1-CZ 4.19Å; Y266-F285 AromaticContact CE1-CE2 3.83Å; Y266-F285 HydrophobicContact CE1-CE2 3.83Å; Y266-F285 AromaticContact CE1-CZ 3.53Å; Y266-F285 HydrophobicContact CE1-CZ 3.53Å; Y266-F285 HydrophobicContact CE2-CE2 4.36Å; Y266-F285 AromaticContact CE2-CZ 3.96Å; Y266-F285 HydrophobicContact CE2-CZ 3.96Å; Y266-F285 AromaticContact CZ-CE2 3.54Å; Y266-F285 AromaticContact CZ-CZ 3.42Å; Y266-F285 VanDerWaalsContact CZ-CZ 3.42Å; Y266-F285 WeakPolarHBondContact OH-CE2 3.35Å; L282-F285 PolarHBondContact O-N 3.04Å; D283-F285 VanDerWaalsContact C-N 3.26Å; D283-F285 PolarHBondContact O-N 2.78Å; F285-I292 HydrophobicContact CB-CD1 3.88Å; F285-I292 HydrophobicContact CB-CG1 4.4Å | ||
| 286 | K | 88.4 | Confident | 91.8 | Very high | 149 Ų | 149 | 64.8 Ų | 64.8 | 65% | 0.648 | 33% | 0.325 | S | S | * | . | B | Isolated β-bridge | trans | -120.3 | 118.8 | 171.9 | -172.9 | 176.4 | -176.9 | -178.8 | 0 | 108.8 | K284 | K284-K286 PolarHBondContact O-N 3.22Å |
| 287 | S | 84.3 | Confident | 91.8 | Very high | 24 Ų | 24 | 62.8 Ų | 62.8 | 17% | 0.168 | 32% | 0.315 | C | S | . | . | trans | -118.7 | 178.5 | 170.5 | 76.3 | 0 | 0 | 0 | 0 | 109.7 | M289 Y290 | S287-M289 PolarHBondContact O-N 2.7Å; S287-M289 PolarHBondContact OG-N 2.83Å; S287-Y290 PolarHBondContact N-O 3.13Å; S287-Y290 PolarHBondContact OG-N 3.16Å | ||
| 288 | Q | 81 | Confident | 91.7 | Very high | 186 Ų | 186 | 57.9 Ų | 57.9 | 87% | 0.869 | 29% | 0.294 | S | S | * | . | S | Bend | trans | -61.7 | -30.6 | 174.1 | -64.9 | 177.9 | -2.2 | 0 | 0 | 112.5 | ||
| 289 | M | 82.4 | Confident | 91.7 | Very high | 87 Ų | 87 | 57.6 Ų | 57.6 | 43% | 0.429 | 29% | 0.293 | S | S | . | . | S | Bend | trans | -97.8 | -29.8 | -178 | -64.5 | -168 | 77.1 | 0 | 0 | 113.9 | K240 S287 | K240-M289 HydrophobicContact CD-CG 4.47Å; K240-M289 HydrophobicContact CD-SD 4.11Å; K240-M289 WeakPolarHBondContact CE-SD 3.44Å; K240-M289 HydrophobicContact CG-CB 4.09Å; K240-M289 HydrophobicContact CG-CG 4.23Å; K240-M289 HydrophobicContact CG-SD 4.13Å; S287-M289 PolarHBondContact O-N 2.7Å; S287-M289 PolarHBondContact OG-N 2.83Å |
| 290 | Y | 89 | Confident | 91.7 | Very high | 17 Ų | 17 | 54.8 Ų | 54.8 | 7% | 0.067 | 28% | 0.279 | C | S | . | . | trans | -129 | 133.3 | -171 | -59 | -50.5 | 0 | 0 | 0 | 112 | H237 R238 K240 I252 K254 S287 | H237-Y290 WeakPolarHBondContact CB-OH 3.4Å; R238-Y290 VanDerWaalsContact O-CE2 3.24Å; R238-Y290 WeakPolarHBondContact O-CE2 3.5Å; R238-Y290 PolarHBondContact O-OH 2.8Å; R238-Y290 VanDerWaalsContact O-OH 3.13Å; K240-Y290 HydrophobicContact CB-CD2 4.23Å; K240-Y290 HydrophobicContact CB-CE2 4.49Å; K240-Y290 HydrophobicContact CG-CD2 4.08Å; K240-Y290 HydrophobicContact CG-CE2 4.03Å; I252-Y290 HydrophobicContact CG2-CD2 4.13Å; K254-Y290 HydrophobicContact CB-CD1 3.8Å; K254-Y290 HydrophobicContact CB-CE1 3.48Å; K254-Y290 VanDerWaalsContact CB-CE1 3.48Å; K254-Y290 HydrophobicContact CD-CD1 4.49Å; K254-Y290 HydrophobicContact CD-CE1 4.24Å; K254-Y290 HydrophobicContact CG-CE1 4.5Å; S287-Y290 PolarHBondContact N-O 3.13Å; S287-Y290 PolarHBondContact OG-N 3.16Å | ||
| 291 | T | 89 | Confident | 91.7 | Very high | 80 Ų | 80 | 55.6 Ų | 55.6 | 49% | 0.491 | 28% | 0.283 | S | S | . | . | B | Isolated β-bridge | trans | -128.7 | 131.7 | 164.1 | -60.6 | 0 | 0 | 0 | 0 | 107.1 | S293 | T291-S293 PolarHBondContact O-N 2.68Å |
| 292 | I | 92.1 | Very high | 91.8 | Very high | 5 Ų | 5 | 55.5 Ų | 55.5 | 3% | 0.026 | 28% | 0.282 | C | S | . | . | trans | -71 | 118.6 | 171 | -60.8 | -179.9 | 0 | 0 | 0 | 107.6 | I252 W262 I264 L282 F285 F297 L313 I331 | I252-I292 HydrophobicContact CD1-CD1 4.02Å; I252-I292 HydrophobicContact CD1-CG1 3.64Å; W262-I292 HydrophobicContact CB-CG1 4.49Å; W262-I292 HydrophobicContact CD2-CB 4.39Å; W262-I292 HydrophobicContact CD2-CG1 3.99Å; W262-I292 HydrophobicContact CD2-CG2 4.31Å; W262-I292 HydrophobicContact CE3-CB 4.45Å; W262-I292 HydrophobicContact CE3-CG1 4.35Å; W262-I292 HydrophobicContact CE3-CG2 3.87Å; W262-I292 HydrophobicContact CG-CG1 4.03Å; W262-I292 HydrophobicContact CH2-CG2 4.36Å; W262-I292 HydrophobicContact CZ3-CG2 3.9Å; I264-I292 HydrophobicContact CG2-CD1 4.15Å; L282-I292 HydrophobicContact CB-CD1 4.28Å; L282-I292 HydrophobicContact CD2-CD1 4.39Å; F285-I292 HydrophobicContact CB-CD1 3.88Å; F285-I292 HydrophobicContact CB-CG1 4.4Å; I292-F297 HydrophobicContact CG2-CD1 4.43Å; I292-F297 HydrophobicContact CG2-CE1 3.72Å; I292-F297 HydrophobicContact CG2-CE2 4.24Å; I292-F297 HydrophobicContact CG2-CZ 3.59Å; I292-L313 HydrophobicContact CB-CD1 4.07Å; I292-L313 HydrophobicContact CG2-CD1 3.83Å; I292-I331 HydrophobicContact CG2-CG2 4.4Å | ||
| 293 | S | 87.6 | Confident | 91.8 | Very high | 79 Ų | 79 | 56.9 Ų | 56.9 | 55% | 0.552 | 29% | 0.288 | S | S | * | . | trans | -111.6 | 141.5 | -179.5 | 60.2 | 0 | 0 | 0 | 0 | 111.2 | W262 T291 F297 | W262-S293 VanDerWaalsContact CH2-N 3.34Å; W262-S293 VanDerWaalsContact CH2-O 3.31Å; W262-S293 WeakPolarHBondContact CH2-O 3.46Å; T291-S293 PolarHBondContact O-N 2.68Å; S293-F297 WeakPolarHBondContact O-CE1 3.43Å; S293-F297 WeakPolarHBondContact O-CZ 3.27Å | ||
| 294 | G | 89.1 | Confident | 91.8 | Very high | 46 Ų | 46 | 57.6 Ų | 57.6 | 47% | 0.474 | 29% | 0.294 | S | S | . | . | S | Bend | trans | 126 | 171.3 | -176.3 | 0 | 0 | 0 | 0 | 0 | 111.7 | F297 | G294-F297 VanDerWaalsContact C-CZ 3.47Å; G294-F297 WeakPolarHBondContact O-CE2 3.49Å; G294-F297 WeakPolarHBondContact O-CZ 3.48Å |
| 295 | Y | 90.3 | Very high | 91.8 | Very high | 155 Ų | 155 | 54.9 Ų | 54.9 | 61% | 0.608 | 29% | 0.289 | S | S | * | . | S | Bend | trans | -98.1 | -48.4 | -174 | -178.7 | -108.1 | 0 | 0 | 0 | 113.2 | K312 L313 | Y295-K312 HydrophobicContact CE1-CD 4.02Å; Y295-K312 HydrophobicContact CE1-CG 4.14Å; Y295-K312 HydrophobicContact CE2-CD 4.26Å; Y295-K312 CarbonylContact O-C 3.45Å; Y295-K312 WeakPolarHBondContact O-CA 3.26Å; Y295-K312 WeakPolarHBondContact OH-CD 3.35Å; Y295-K312 WeakPolarHBondContact OH-CE 3.31Å; Y295-K312 PolarHBondContact OH-NZ 2.86Å; Y295-L313 PolarHBondContact O-N 3.31Å |
| 296 | K | 94.9 | Very high | 92 | Very high | 96 Ų | 96 | 61.2 Ų | 61.2 | 42% | 0.417 | 32% | 0.319 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.9 | 140.4 | -172.1 | -170.6 | 174.8 | -177.5 | -179.2 | 0 | 109.6 | V310 V311 F334 | K296-V310 HydrophobicContact CD-CG1 4.24Å; K296-V310 HydrophobicContact CG-CG1 3.94Å; K296-V311 WeakPolarHBondContact CA-O 3.4Å; K296-F334 HydrophobicContact CB-CB 4.22Å; K296-F334 HydrophobicContact CG-CB 4.26Å; K296-F334 VanDerWaalsContact O-CB 3.25Å; K296-F334 WeakPolarHBondContact O-CB 3.49Å; K296-F334 PolarHBondContact O-N 2.84Å |
| 297 | F | 95.5 | Very high | 92.4 | Very high | 0 Ų | 0 | 59.8 Ų | 59.8 | 0% | 0 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.9 | 141.5 | -171.9 | -56.7 | -90.2 | 0 | 0 | 0 | 110.8 | W262 L282 I292 S293 G294 V310 V311 L313 I331 I332 P333 | W262-F297 AromaticContact CZ3-CE1 3.96Å; W262-F297 HydrophobicContact CZ3-CE1 3.96Å; L282-F297 HydrophobicContact CD1-CB 3.84Å; L282-F297 HydrophobicContact CD1-CD2 3.53Å; L282-F297 HydrophobicContact CD1-CE2 4.26Å; L282-F297 HydrophobicContact CD1-CG 3.75Å; I292-F297 HydrophobicContact CG2-CD1 4.43Å; I292-F297 HydrophobicContact CG2-CE1 3.72Å; I292-F297 HydrophobicContact CG2-CE2 4.24Å; I292-F297 HydrophobicContact CG2-CZ 3.59Å; S293-F297 WeakPolarHBondContact O-CE1 3.43Å; S293-F297 WeakPolarHBondContact O-CZ 3.27Å; G294-F297 VanDerWaalsContact C-CZ 3.47Å; G294-F297 WeakPolarHBondContact O-CE2 3.49Å; G294-F297 WeakPolarHBondContact O-CZ 3.48Å; F297-V310 CarbonylContact O-C 3.58Å; F297-V310 VanDerWaalsContact O-CA 3.28Å; F297-V310 WeakPolarHBondContact O-CA 2.89Å; F297-V310 WeakPolarHBondContact O-CG1 3.48Å; F297-V311 PolarHBondContact N-O 3.14Å; F297-V311 PolarHBondContact O-N 2.75Å; F297-L313 HydrophobicContact CE2-CB 4.07Å; F297-L313 HydrophobicContact CE2-CD1 3.99Å; F297-L313 HydrophobicContact CZ-CD1 4.33Å; F297-I331 HydrophobicContact CB-CG2 3.97Å; F297-I331 HydrophobicContact CD1-CG2 3.63Å; F297-I331 HydrophobicContact CE1-CG2 4.38Å; F297-I331 HydrophobicContact CG-CG2 3.92Å; F297-I332 CarbonylContact C-O 3.5Å; F297-I332 VanDerWaalsContact CA-O 3.27Å; F297-I332 WeakPolarHBondContact CA-O 3.49Å; F297-P333 HydrophobicContact CD1-CB 4.46Å; F297-P333 HydrophobicContact CD1-CG 4.47Å; F297-P333 HydrophobicContact CE1-CB 4.4Å; F297-P333 HydrophobicContact CE1-CG 4.3Å |
| 298 | E | 95.7 | Very high | 93 | Very high | 51 Ų | 51 | 62.2 Ų | 62.2 | 24% | 0.238 | 32% | 0.32 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.9 | 131.7 | 160.8 | -174.6 | 164.3 | 100.6 | 0 | 0 | 109.1 | L300 K307 I332 | E298-L300 HydrophobicContact CG-CD2 3.9Å; E298-L300 WeakPolarHBondContact OE1-CD2 3.38Å; E298-K307 HydrophobicContact CG-CD 4.33Å; E298-K307 HydrophobicContact CG-CG 4.24Å; E298-K307 WeakPolarHBondContact OE2-CE 3.32Å; E298-K307 IonicContact OE2-NZ 2.76Å; E298-K307 PolarHBondContact OE2-NZ 3.14Å; E298-I332 PolarHBondContact N-O 2.99Å; E298-I332 PolarHBondContact O-N 3.27Å |
| 299 | I | 96.2 | Very high | 93.7 | Very high | 0 Ų | 0 | 56.3 Ų | 56.3 | 0% | 0 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108 | 118.3 | 177.8 | -56.3 | -172.3 | 0 | 0 | 0 | 107.5 | L282 F308 N309 V311 F317 F329 R330 I331 | L282-I299 HydrophobicContact CD1-CD1 4.43Å; L282-I299 HydrophobicContact CD2-CD1 4.16Å; I299-F308 HydrophobicContact CB-CD1 4.46Å; I299-F308 HydrophobicContact CG2-CB 4.14Å; I299-F308 HydrophobicContact CG2-CD1 3.97Å; I299-F308 HydrophobicContact CG2-CG 4.47Å; I299-F308 WeakPolarHBondContact O-CB 3.33Å; I299-F308 PolarHBondContact O-N 3.11Å; I299-N309 PolarHBondContact N-O 3.34Å; I299-N309 PolarHBondContact O-N 2.71Å; I299-V311 HydrophobicContact CD1-CG1 4.47Å; I299-V311 HydrophobicContact CD1-CG2 3.5Å; I299-V311 HydrophobicContact CG1-CG2 4.16Å; I299-F317 HydrophobicContact CD1-CD1 4.39Å; I299-F317 HydrophobicContact CD1-CE1 3.95Å; I299-F317 HydrophobicContact CD1-CE2 4.48Å; I299-F317 HydrophobicContact CD1-CZ 3.99Å; I299-F329 HydrophobicContact CG2-CB 3.58Å; I299-F329 HydrophobicContact CG2-CD1 3.57Å; I299-F329 HydrophobicContact CG2-CE1 4.39Å; I299-F329 HydrophobicContact CG2-CG 3.63Å; I299-R330 WeakPolarHBondContact CA-O 3.49Å; I299-I331 HydrophobicContact CB-CD1 4.38Å; I299-I331 HydrophobicContact CD1-CD1 4.25Å; I299-I331 HydrophobicContact CG1-CD1 3.9Å; I299-I331 HydrophobicContact CG2-CD1 4.01Å |
| 300 | L | 96.6 | Very high | 94.4 | Very high | 34 Ų | 34 | 53.7 Ų | 53.7 | 18% | 0.178 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.1 | 135.2 | 173.6 | -51.7 | 179.6 | 0 | 0 | 0 | 110.1 | E298 V302 E306 K307 F329 R330 I332 | E298-L300 HydrophobicContact CG-CD2 3.9Å; E298-L300 WeakPolarHBondContact OE1-CD2 3.38Å; L300-V302 PolarHBondContact O-N 2.9Å; L300-E306 CarbonylContact C-O 3.56Å; L300-E306 WeakPolarHBondContact CA-O 3.14Å; L300-K307 HydrophobicContact CD2-CB 3.97Å; L300-K307 HydrophobicContact CD2-CG 4.43Å; L300-F329 CarbonylContact O-C 3.53Å; L300-F329 WeakPolarHBondContact O-CA 3.47Å; L300-R330 HydrophobicContact CB-CB 4.2Å; L300-R330 PolarHBondContact N-O 3.3Å; L300-R330 PolarHBondContact O-N 3.2Å; L300-I332 HydrophobicContact CD1-CD1 3.57Å; L300-I332 HydrophobicContact CG-CD1 4.1Å |
| 301 | D | 97.7 | Very high | 94.7 | Very high | 21 Ų | 21 | 53 Ų | 53 | 11% | 0.112 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -70 | 124.6 | 168.6 | -172.5 | -46.9 | 0 | 0 | 0 | 109 | F303 T304 G305 E306 M327 F329 | D301-F303 VanDerWaalsContact C-N 3.33Å; D301-F303 PolarHBondContact O-N 3.12Å; D301-F303 WeakPolarHBondContact OD1-CA 3.43Å; D301-F303 WeakPolarHBondContact OD1-CB 3.16Å; D301-F303 PolarHBondContact OD1-N 3.38Å; D301-T304 PolarHBondContact OD1-N 3.42Å; D301-G305 WeakPolarHBondContact O-CA 3.25Å; D301-G305 PolarHBondContact O-N 3.41Å; D301-E306 PolarHBondContact N-O 3.46Å; D301-M327 WeakPolarHBondContact OD2-CE 3.2Å; D301-F329 HydrophobicContact CB-CD1 4.38Å; D301-F329 HydrophobicContact CB-CE1 4.3Å |
| 302 | V | 97.6 | Very high | 95.1 | Very high | 3 Ų | 3 | 53.3 Ų | 53.3 | 2% | 0.018 | 28% | 0.275 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -70.9 | -30.2 | -176.6 | 174.8 | 0 | 0 | 0 | 0 | 112.3 | H226 L227 I230 V263 L300 M328 R330 | H226-V302 HydrophobicContact CB-CG1 4Å; H226-V302 WeakPolarHBondContact CB-O 3.41Å; L227-V302 HydrophobicContact CD2-CG1 3.71Å; L227-V302 HydrophobicContact CG-CG1 4.07Å; I230-V302 HydrophobicContact CD1-CB 4.22Å; I230-V302 HydrophobicContact CD1-CG1 3.44Å; I230-V302 VanDerWaalsContact CD1-CG1 3.44Å; I230-V302 HydrophobicContact CD1-CG2 3.66Å; V263-V302 HydrophobicContact CG2-CG2 4.39Å; L300-V302 PolarHBondContact O-N 2.9Å; V302-M328 HydrophobicContact CB-CB 4.23Å; V302-M328 HydrophobicContact CB-CE 3.92Å; V302-M328 HydrophobicContact CB-CG 4.33Å; V302-M328 HydrophobicContact CG1-CE 3.45Å; V302-M328 VanDerWaalsContact CG1-CE 3.45Å; V302-M328 HydrophobicContact CG2-CB 4.35Å; V302-M328 HydrophobicContact CG2-CE 4.2Å; V302-M328 HydrophobicContact CG2-CG 4.07Å; V302-M328 WeakPolarHBondContact CG2-O 3.48Å; V302-M328 PolarHBondContact N-O 3.28Å; V302-R330 HydrophobicContact CG2-CB 4.44Å |
| 303 | F | 97.4 | Very high | 95.2 | Very high | 29 Ų | 29 | 55.3 Ų | 55.3 | 13% | 0.127 | 29% | 0.286 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -79 | -31 | -176 | -63.6 | -73.5 | 0 | 0 | 0 | 112.5 | R192 L221 L227 D301 I326 M328 | R192-F303 HydrophobicContact CB-CD1 4.33Å; R192-F303 HydrophobicContact CB-CE1 3.71Å; R192-F303 HydrophobicContact CB-CZ 3.83Å; R192-F303 HydrophobicContact CG-CD1 3.83Å; R192-F303 HydrophobicContact CG-CE1 3.72Å; R192-F303 HydrophobicContact CG-CG 4.4Å; R192-F303 HydrophobicContact CG-CZ 4.21Å; L221-F303 HydrophobicContact CD2-CD1 3.96Å; L221-F303 HydrophobicContact CD2-CE1 4.35Å; L227-F303 HydrophobicContact CD1-CD1 4.28Å; L227-F303 HydrophobicContact CD1-CE1 4.28Å; L227-F303 HydrophobicContact CD2-CE1 4.17Å; D301-F303 VanDerWaalsContact C-N 3.33Å; D301-F303 PolarHBondContact O-N 3.12Å; D301-F303 WeakPolarHBondContact OD1-CA 3.43Å; D301-F303 WeakPolarHBondContact OD1-CB 3.16Å; D301-F303 PolarHBondContact OD1-N 3.38Å; F303-I326 HydrophobicContact CE2-CG1 4.5Å; F303-I326 HydrophobicContact CE2-CG2 3.83Å; F303-I326 HydrophobicContact CZ-CG2 3.55Å; F303-M328 HydrophobicContact CD2-CB 4.42Å; F303-M328 HydrophobicContact CE2-CB 3.67Å; F303-M328 HydrophobicContact CZ-CB 4.2Å |
| 304 | T | 95.7 | Very high | 95.6 | Very high | 68 Ų | 68 | 56.3 Ų | 56.3 | 42% | 0.417 | 29% | 0.289 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -101.6 | -24.2 | 177.4 | 68.9 | 0 | 0 | 0 | 0 | 113.1 | D301 E306 | D301-T304 PolarHBondContact OD1-N 3.42Å; T304-E306 PolarHBondContact O-N 3.37Å; T304-E306 WeakPolarHBondContact OG1-CB 3.06Å; T304-E306 PolarHBondContact OG1-N 3.4Å; T304-E306 PolarHBondContact OG1-OE2 2.87Å |
| 305 | G | 94.3 | Very high | 96 | Very high | 22 Ų | 22 | 58.2 Ų | 58.2 | 23% | 0.227 | 29% | 0.285 | C | S | . | . | trans | 78.8 | -2.4 | -171 | 0 | 0 | 0 | 0 | 0 | 113.7 | H226 D301 | H226-G305 VanDerWaalsContact NE2-CA 3.32Å; H226-G305 WeakPolarHBondContact NE2-CA 3.03Å; D301-G305 WeakPolarHBondContact O-CA 3.25Å; D301-G305 PolarHBondContact O-N 3.41Å | ||
| 306 | E | 96.5 | Very high | 96.4 | Very high | 134 Ų | 134 | 58.2 Ų | 58.2 | 63% | 0.626 | 29% | 0.289 | S | S | * | . | trans | -83.3 | 153.7 | -174.1 | -61.6 | 174.5 | 149.4 | 0 | 0 | 111.5 | L300 D301 T304 F308 | L300-E306 CarbonylContact C-O 3.56Å; L300-E306 WeakPolarHBondContact CA-O 3.14Å; D301-E306 PolarHBondContact N-O 3.46Å; T304-E306 PolarHBondContact O-N 3.37Å; T304-E306 WeakPolarHBondContact OG1-CB 3.06Å; T304-E306 PolarHBondContact OG1-N 3.4Å; T304-E306 PolarHBondContact OG1-OE2 2.87Å; E306-F308 PolarHBondContact O-N 2.7Å | ||
| 307 | K | 96.8 | Very high | 96.5 | Very high | 118 Ų | 118 | 54.1 Ų | 54.1 | 51% | 0.513 | 27% | 0.271 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.1 | 116.5 | 172.7 | 179.8 | 173.8 | 178.7 | 153.2 | 0 | 110.3 | E298 L300 | E298-K307 HydrophobicContact CG-CD 4.33Å; E298-K307 HydrophobicContact CG-CG 4.24Å; E298-K307 WeakPolarHBondContact OE2-CE 3.32Å; E298-K307 IonicContact OE2-NZ 2.76Å; E298-K307 PolarHBondContact OE2-NZ 3.14Å; L300-K307 HydrophobicContact CD2-CB 3.97Å; L300-K307 HydrophobicContact CD2-CG 4.43Å |
| 308 | F | 97.1 | Very high | 96.6 | Very high | 76 Ų | 76 | 57.5 Ų | 57.5 | 33% | 0.333 | 29% | 0.291 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.4 | -47.7 | 176.5 | 178.1 | -100 | 0 | 0 | 0 | 111.7 | I299 E306 F317 I319 F329 | I299-F308 HydrophobicContact CB-CD1 4.46Å; I299-F308 HydrophobicContact CG2-CB 4.14Å; I299-F308 HydrophobicContact CG2-CD1 3.97Å; I299-F308 HydrophobicContact CG2-CG 4.47Å; I299-F308 WeakPolarHBondContact O-CB 3.33Å; I299-F308 PolarHBondContact O-N 3.11Å; E306-F308 PolarHBondContact O-N 2.7Å; F308-F317 AromaticContact CE1-CD2 3.92Å; F308-F317 HydrophobicContact CE1-CD2 3.92Å; F308-F317 HydrophobicContact CE1-CE2 4.44Å; F308-I319 HydrophobicContact CE1-CG2 4.15Å; F308-I319 HydrophobicContact CZ-CG2 3.88Å; F308-F329 HydrophobicContact CB-CD1 4.19Å; F308-F329 HydrophobicContact CB-CE1 3.95Å; F308-F329 HydrophobicContact CD1-CD1 4.4Å; F308-F329 AromaticContact CD1-CE1 3.88Å; F308-F329 HydrophobicContact CD1-CE1 3.88Å; F308-F329 HydrophobicContact CD1-CZ 4.25Å; F308-F329 AromaticContact CD2-CE1 3.8Å; F308-F329 HydrophobicContact CD2-CE1 3.8Å; F308-F329 HydrophobicContact CD2-CZ 4.28Å; F308-F329 HydrophobicContact CE1-CE1 4.36Å; F308-F329 HydrophobicContact CE1-CZ 4.29Å; F308-F329 HydrophobicContact CE2-CE1 4.29Å; F308-F329 HydrophobicContact CE2-CZ 4.31Å; F308-F329 HydrophobicContact CG-CD1 4.21Å; F308-F329 AromaticContact CG-CE1 3.58Å; F308-F329 HydrophobicContact CG-CE1 3.58Å; F308-F329 HydrophobicContact CG-CZ 4.26Å; F308-F329 HydrophobicContact CZ-CZ 4.33Å |
| 309 | N | 96 | Very high | 96.7 | Very high | 61 Ų | 61 | 55.1 Ų | 55.1 | 33% | 0.326 | 28% | 0.28 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -163.9 | 171 | -178.6 | -152.3 | -13.3 | 0 | 0 | 0 | 112.7 | I299 V311 | I299-N309 PolarHBondContact N-O 3.34Å; I299-N309 PolarHBondContact O-N 2.71Å; N309-V311 HydrophobicContact CB-CG1 4.1Å; N309-V311 WeakPolarHBondContact ND2-CG1 3.36Å |
| 310 | V | 96.4 | Very high | 96.7 | Very high | 33 Ų | 33 | 57.4 Ų | 57.4 | 20% | 0.2 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.5 | 118.4 | 163.2 | -173.3 | 0 | 0 | 0 | 0 | 108.5 | K296 F297 F334 | K296-V310 HydrophobicContact CD-CG1 4.24Å; K296-V310 HydrophobicContact CG-CG1 3.94Å; F297-V310 CarbonylContact O-C 3.58Å; F297-V310 VanDerWaalsContact O-CA 3.28Å; F297-V310 WeakPolarHBondContact O-CA 2.89Å; F297-V310 WeakPolarHBondContact O-CG1 3.48Å; V310-F334 HydrophobicContact CG1-CD2 4.31Å |
| 311 | V | 96.7 | Very high | 96.7 | Very high | 1 Ų | 1 | 55.8 Ų | 55.8 | 1% | 0.006 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.2 | 156.6 | -171.8 | -58.5 | 0 | 0 | 0 | 0 | 111.9 | L282 K296 F297 I299 N309 E315 F317 | L282-V311 HydrophobicContact CD1-CG2 3.83Å; L282-V311 HydrophobicContact CG-CG2 4.21Å; K296-V311 WeakPolarHBondContact CA-O 3.4Å; F297-V311 PolarHBondContact N-O 3.14Å; F297-V311 PolarHBondContact O-N 2.75Å; I299-V311 HydrophobicContact CD1-CG1 4.47Å; I299-V311 HydrophobicContact CD1-CG2 3.5Å; I299-V311 HydrophobicContact CG1-CG2 4.16Å; N309-V311 HydrophobicContact CB-CG1 4.1Å; N309-V311 WeakPolarHBondContact ND2-CG1 3.36Å; V311-E315 WeakPolarHBondContact CA-OE2 3.22Å; V311-E315 HydrophobicContact CB-CB 4.18Å; V311-E315 HydrophobicContact CB-CG 4.3Å; V311-F317 HydrophobicContact CG1-CD1 4.24Å; V311-F317 HydrophobicContact CG2-CD1 4.33Å; V311-F317 HydrophobicContact CG2-CE1 4.4Å |
| 312 | K | 96.6 | Very high | 96.6 | Very high | 88 Ų | 88 | 58 Ų | 58 | 38% | 0.383 | 30% | 0.299 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.5 | 162.2 | 163.9 | -58.8 | 176.6 | -174.1 | -176.1 | 0 | 111.4 | Y295 T314 E315 | Y295-K312 HydrophobicContact CE1-CD 4.02Å; Y295-K312 HydrophobicContact CE1-CG 4.14Å; Y295-K312 HydrophobicContact CE2-CD 4.26Å; Y295-K312 CarbonylContact O-C 3.45Å; Y295-K312 WeakPolarHBondContact O-CA 3.26Å; Y295-K312 WeakPolarHBondContact OH-CD 3.35Å; Y295-K312 WeakPolarHBondContact OH-CE 3.31Å; Y295-K312 PolarHBondContact OH-NZ 2.86Å; K312-T314 PolarHBondContact O-N 3.04Å; K312-T314 VanDerWaalsContact O-N 3.16Å; K312-E315 HydrophobicContact CB-CB 3.96Å; K312-E315 PolarHBondContact N-OE2 3.2Å; K312-E315 WeakPolarHBondContact O-CB 3.34Å; K312-E315 PolarHBondContact O-N 3.38Å; K312-E315 VanDerWaalsContact O-N 3.1Å |
| 313 | L | 94.9 | Very high | 96.4 | Very high | 46 Ų | 46 | 59.2 Ų | 59.2 | 24% | 0.241 | 31% | 0.307 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -51.2 | -41.6 | -179.3 | -173.5 | 62.9 | 0 | 0 | 0 | 113.5 | L282 D283 I292 Y295 F297 | L282-L313 HydrophobicContact CB-CD1 3.9Å; L282-L313 WeakPolarHBondContact CB-O 3.36Å; L282-L313 PolarHBondContact N-O 3.06Å; D283-L313 HydrophobicContact CB-CG 4.26Å; D283-L313 PolarHBondContact N-O 2.82Å; I292-L313 HydrophobicContact CB-CD1 4.07Å; I292-L313 HydrophobicContact CG2-CD1 3.83Å; Y295-L313 PolarHBondContact O-N 3.31Å; F297-L313 HydrophobicContact CE2-CB 4.07Å; F297-L313 HydrophobicContact CE2-CD1 3.99Å; F297-L313 HydrophobicContact CZ-CD1 4.33Å |
| 314 | T | 96 | Very high | 96.2 | Very high | 101 Ų | 101 | 58.3 Ų | 58.3 | 62% | 0.62 | 31% | 0.305 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -99.8 | -2.2 | -177.4 | 55 | 0 | 0 | 0 | 0 | 113.8 | D283 K312 | D283-T314 HydrophobicContact CB-CG2 4.22Å; K312-T314 PolarHBondContact O-N 3.04Å; K312-T314 VanDerWaalsContact O-N 3.16Å |
| 315 | E | 97.5 | Very high | 96.2 | Very high | 85 Ų | 85 | 55.1 Ų | 55.1 | 40% | 0.397 | 29% | 0.285 | S | S | . | . | trans | -72.7 | 130.9 | -179.2 | -179.9 | 176.7 | 174.8 | 0 | 0 | 110.1 | S281 V311 K312 | S281-E315 WeakPolarHBondContact CB-O 3.45Å; V311-E315 WeakPolarHBondContact CA-OE2 3.22Å; V311-E315 HydrophobicContact CB-CB 4.18Å; V311-E315 HydrophobicContact CB-CG 4.3Å; K312-E315 HydrophobicContact CB-CB 3.96Å; K312-E315 PolarHBondContact N-OE2 3.2Å; K312-E315 WeakPolarHBondContact O-CB 3.34Å; K312-E315 PolarHBondContact O-N 3.38Å; K312-E315 VanDerWaalsContact O-N 3.1Å | ||
| 316 | K | 97.8 | Very high | 96.3 | Very high | 156 Ų | 156 | 54.2 Ų | 54.2 | 68% | 0.678 | 28% | 0.275 | S | S | * | . | trans | -81.8 | 141.4 | -177.1 | -67.8 | 179.4 | -177.5 | 173.2 | 0 | 110.6 | I279 T280 | I279-K316 HydrophobicContact CG2-CB 4.17Å; I279-K316 HydrophobicContact CG2-CD 4.13Å; I279-K316 HydrophobicContact CG2-CG 4.48Å; T280-K316 CarbonylContact O-C 3.59Å; T280-K316 VanDerWaalsContact O-CA 3.24Å; T280-K316 WeakPolarHBondContact O-CA 3.36Å | ||
| 317 | F | 97.7 | Very high | 96.4 | Very high | 9 Ų | 9 | 49.3 Ų | 49.3 | 4% | 0.039 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.7 | 161 | 171.1 | 58.7 | -88.4 | 0 | 0 | 0 | 110.5 | I279 T280 L282 I299 F308 V311 I319 | I279-F317 WeakPolarHBondContact CA-O 3.39Å; T280-F317 HydrophobicContact CG2-CD2 3.95Å; T280-F317 HydrophobicContact CG2-CE1 4.28Å; T280-F317 HydrophobicContact CG2-CE2 3.46Å; T280-F317 VanDerWaalsContact CG2-CE2 3.46Å; T280-F317 HydrophobicContact CG2-CZ 3.66Å; T280-F317 PolarHBondContact N-O 2.78Å; T280-F317 PolarHBondContact O-N 3.27Å; L282-F317 HydrophobicContact CD2-CE1 4.12Å; L282-F317 HydrophobicContact CD2-CZ 4.17Å; L282-F317 HydrophobicContact CG-CE1 4.2Å; I299-F317 HydrophobicContact CD1-CD1 4.39Å; I299-F317 HydrophobicContact CD1-CE1 3.95Å; I299-F317 HydrophobicContact CD1-CE2 4.48Å; I299-F317 HydrophobicContact CD1-CZ 3.99Å; F308-F317 AromaticContact CE1-CD2 3.92Å; F308-F317 HydrophobicContact CE1-CD2 3.92Å; F308-F317 HydrophobicContact CE1-CE2 4.44Å; V311-F317 HydrophobicContact CG1-CD1 4.24Å; V311-F317 HydrophobicContact CG2-CD1 4.33Å; V311-F317 HydrophobicContact CG2-CE1 4.4Å; F317-I319 HydrophobicContact CD2-CG2 3.84Å; F317-I319 HydrophobicContact CE2-CG2 3.81Å |
| 318 | T | 97.7 | Very high | 96.5 | Very high | 71 Ų | 71 | 43.7 Ų | 43.7 | 44% | 0.436 | 23% | 0.228 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.9 | 130.1 | -177.1 | -57.3 | 0 | 0 | 0 | 0 | 110.2 | K277 F278 I279 | K277-T318 HydrophobicContact CB-CG2 3.91Å; K277-T318 HydrophobicContact CD-CG2 4.08Å; K277-T318 HydrophobicContact CG-CG2 4.48Å; F278-T318 WeakPolarHBondContact O-CA 3.25Å; I279-T318 HydrophobicContact CG1-CG2 4.46Å |
| 319 | I | 97.1 | Very high | 96.5 | Very high | 1 Ų | 1 | 40 Ų | 40 | 1% | 0.005 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.6 | 148.6 | 173.5 | 63.6 | -177.7 | 0 | 0 | 0 | 110 | Y266 K277 F278 T280 F308 F317 I321 M327 F329 | Y266-I319 HydrophobicContact CD1-CD1 3.55Å; Y266-I319 HydrophobicContact CD2-CD1 3.41Å; Y266-I319 VanDerWaalsContact CD2-CD1 3.41Å; Y266-I319 HydrophobicContact CE1-CD1 3.82Å; Y266-I319 HydrophobicContact CE2-CD1 3.69Å; Y266-I319 HydrophobicContact CG-CD1 3.31Å; K277-I319 WeakPolarHBondContact CA-O 3.01Å; F278-I319 HydrophobicContact CB-CD1 4.35Å; F278-I319 HydrophobicContact CB-CG1 3.76Å; F278-I319 HydrophobicContact CD1-CD1 3.91Å; F278-I319 HydrophobicContact CD1-CG1 4.11Å; F278-I319 HydrophobicContact CG-CG1 4.41Å; F278-I319 PolarHBondContact N-O 3.46Å; F278-I319 WeakPolarHBondContact O-CG1 3.12Å; F278-I319 PolarHBondContact O-N 2.97Å; T280-I319 HydrophobicContact CG2-CD1 4.47Å; F308-I319 HydrophobicContact CE1-CG2 4.15Å; F308-I319 HydrophobicContact CZ-CG2 3.88Å; F317-I319 HydrophobicContact CD2-CG2 3.84Å; F317-I319 HydrophobicContact CE2-CG2 3.81Å; I319-I321 HydrophobicContact CD1-CD1 3.69Å; I319-I321 HydrophobicContact CD1-CG1 4.07Å; I319-I321 HydrophobicContact CG1-CD1 4.05Å; I319-I321 HydrophobicContact CG1-CG1 3.98Å; I319-M327 HydrophobicContact CD1-CB 4.48Å; I319-F329 HydrophobicContact CG2-CE2 3.81Å; I319-F329 HydrophobicContact CG2-CZ 3.84Å |
| 320 | S | 96.7 | Very high | 96.5 | Very high | 48 Ų | 48 | 38.3 Ų | 38.3 | 34% | 0.336 | 20% | 0.201 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.3 | 126.1 | 173.2 | -51 | 0 | 0 | 0 | 0 | 108.6 | I276 K277 M327 | I276-S320 VanDerWaalsContact O-CA 3.32Å; I276-S320 WeakPolarHBondContact O-CA 3.28Å; K277-S320 WeakPolarHBondContact CD-OG 3.29Å; K277-S320 PolarHBondContact NZ-OG 3.45Å; S320-M327 WeakPolarHBondContact O-CG 3.47Å |
| 321 | I | 96.8 | Very high | 96.5 | Very high | 1 Ų | 1 | 36.8 Ų | 36.8 | 1% | 0.005 | 19% | 0.192 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.3 | 122.9 | -177.7 | -39.7 | 178.6 | 0 | 0 | 0 | 109.9 | V248 R268 S275 I276 F278 I319 M327 | V248-I321 HydrophobicContact CG1-CD1 3.85Å; V248-I321 HydrophobicContact CG2-CD1 4.1Å; R268-I321 HydrophobicContact CB-CG2 3.78Å; S275-I321 WeakPolarHBondContact CA-O 3.31Å; S275-I321 PolarHBondContact OG-O 3.01Å; I276-I321 HydrophobicContact CG1-CB 4.3Å; I276-I321 PolarHBondContact N-O 3.47Å; I276-I321 PolarHBondContact O-N 3.32Å; F278-I321 HydrophobicContact CB-CD1 4.27Å; I319-I321 HydrophobicContact CD1-CD1 3.69Å; I319-I321 HydrophobicContact CD1-CG1 4.07Å; I319-I321 HydrophobicContact CG1-CD1 4.05Å; I319-I321 HydrophobicContact CG1-CG1 3.98Å; I321-M327 HydrophobicContact CG1-CG 3.92Å |
| 322 | N | 96.4 | Very high | 96.4 | Very high | 66 Ų | 66 | 38.1 Ų | 38.1 | 35% | 0.353 | 20% | 0.199 | S | C | . | . | trans | -72.6 | 158.6 | 175.2 | -72 | -14 | 0 | 0 | 0 | 112.3 | D189 R268 S275 G325 | D189-N322 VanDerWaalsContact OD2-CB 3.31Å; D189-N322 WeakPolarHBondContact OD2-CB 3.2Å; D189-N322 PolarHBondContact OD2-ND2 2.8Å; R268-N322 WeakPolarHBondContact CD-O 2.93Å; S275-N322 WeakPolarHBondContact CB-OD1 3.28Å; N322-G325 WeakPolarHBondContact O-CA 3.34Å; N322-G325 PolarHBondContact O-N 2.81Å | ||
| 323 | P | 93.3 | Very high | 96.1 | Very high | 29 Ų | 29 | 35.9 Ų | 35.9 | 19% | 0.188 | 19% | 0.193 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -51.7 | 136.8 | 164.9 | -13.5 | 21.6 | 0 | 0 | 0 | 113 | R270 D271 G273 G325 | R270-P323 WeakPolarHBondContact O-CA 3.03Å; D271-P323 WeakPolarHBondContact O-CB 3.42Å; G273-P323 WeakPolarHBondContact O-CG 3.07Å; P323-G325 PolarHBondContact O-N 3.45Å |
| 324 | S | 92.2 | Very high | 95.6 | Very high | 10 Ų | 10 | 37.8 Ų | 37.8 | 7% | 0.07 | 20% | 0.2 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 49.4 | 27.6 | -171.8 | -54.4 | 0 | 0 | 0 | 0 | 113.8 | D189 V193 R268 R270 D271 | D189-S324 CarbonylContact C-O 3.59Å; V193-S324 WeakPolarHBondContact CG2-O 3.45Å; R268-S324 WeakPolarHBondContact O-CA 3.42Å; R270-S324 PolarHBondContact O-N 2.93Å; D271-S324 VanDerWaalsContact CA-OG 3.3Å; D271-S324 WeakPolarHBondContact CA-OG 3.28Å; D271-S324 WeakPolarHBondContact CB-OG 3.48Å |
| 325 | G | 95.3 | Very high | 94.4 | Very high | 1 Ų | 1 | 41.2 Ų | 41.2 | 1% | 0.01 | 21% | 0.209 | C | C | . | . | trans | -102.1 | 165.6 | -176.4 | 0 | 0 | 0 | 0 | 0 | 113.2 | R268 N322 P323 | R268-G325 PolarHBondContact N-O 3.11Å; N322-G325 WeakPolarHBondContact O-CA 3.34Å; N322-G325 PolarHBondContact O-N 2.81Å; P323-G325 PolarHBondContact O-N 3.45Å | ||
| 326 | I | 97.6 | Very high | 92.2 | Very high | 3 Ų | 3 | 44 Ų | 44 | 2% | 0.015 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.6 | 138.9 | 174.1 | -178.3 | 172.1 | 0 | 0 | 0 | 109.8 | R192 V193 M197 A265 Y266 V267 F303 M328 | R192-I326 VanDerWaalsContact C-CG2 3.42Å; R192-I326 HydrophobicContact CB-CG2 3.63Å; V193-I326 HydrophobicContact CB-CG2 4.32Å; V193-I326 HydrophobicContact CG2-CB 3.81Å; V193-I326 HydrophobicContact CG2-CG2 3.8Å; M197-I326 HydrophobicContact CG-CD1 4.12Å; M197-I326 HydrophobicContact SD-CD1 3.91Å; A265-I326 HydrophobicContact CB-CD1 3.96Å; A265-I326 HydrophobicContact CB-CG1 4.34Å; Y266-I326 VanDerWaalsContact O-CA 3.27Å; Y266-I326 WeakPolarHBondContact O-CA 3.39Å; V267-I326 HydrophobicContact CG2-CB 4.48Å; V267-I326 HydrophobicContact CG2-CD1 3.96Å; V267-I326 HydrophobicContact CG2-CG1 4.08Å; F303-I326 HydrophobicContact CE2-CG1 4.5Å; F303-I326 HydrophobicContact CE2-CG2 3.83Å; F303-I326 HydrophobicContact CZ-CG2 3.55Å; I326-M328 HydrophobicContact CD1-CB 4.35Å; I326-M328 HydrophobicContact CD1-SD 4.23Å; I326-M328 HydrophobicContact CG1-CB 4.35Å |
| 327 | M | 98.1 | Very high | 89.6 | Confident | 31 Ų | 31 | 42.5 Ų | 42.5 | 15% | 0.153 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.9 | 129.6 | 158.7 | -64.8 | -56.9 | -60.2 | 0 | 0 | 108.1 | A265 Y266 D301 I319 S320 I321 F329 | A265-M327 WeakPolarHBondContact CA-O 3.43Å; Y266-M327 HydrophobicContact CD2-CB 4.4Å; Y266-M327 PolarHBondContact N-O 3.29Å; Y266-M327 PolarHBondContact O-N 2.87Å; D301-M327 WeakPolarHBondContact OD2-CE 3.2Å; I319-M327 HydrophobicContact CD1-CB 4.48Å; S320-M327 WeakPolarHBondContact O-CG 3.47Å; I321-M327 HydrophobicContact CG1-CG 3.92Å; M327-F329 HydrophobicContact CB-CE2 3.81Å; M327-F329 HydrophobicContact CB-CZ 4Å; M327-F329 HydrophobicContact CE-CE1 4.18Å; M327-F329 HydrophobicContact CE-CZ 3.78Å |
| 328 | M | 98.4 | Very high | 86.7 | Confident | 0 Ų | 0 | 49.9 Ų | 49.9 | 0% | 0 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.5 | 130.4 | -176.7 | -163 | 162.1 | 82.2 | 0 | 0 | 110 | M200 L227 I230 V263 I264 A265 V302 F303 I326 | M200-M328 HydrophobicContact CG-SD 3.64Å; M200-M328 HydrophobicContact SD-CG 4.42Å; M200-M328 HydrophobicContact SD-SD 3.76Å; L227-M328 HydrophobicContact CD2-CE 3.33Å; I230-M328 HydrophobicContact CD1-CE 3.94Å; V263-M328 HydrophobicContact CG2-CG 3.76Å; V263-M328 HydrophobicContact CG2-SD 4.25Å; I264-M328 WeakPolarHBondContact O-CA 3.35Å; I264-M328 WeakPolarHBondContact O-CG 3.48Å; A265-M328 HydrophobicContact CB-CG 4.12Å; A265-M328 HydrophobicContact CB-SD 4.32Å; V302-M328 HydrophobicContact CB-CB 4.23Å; V302-M328 HydrophobicContact CB-CE 3.92Å; V302-M328 HydrophobicContact CB-CG 4.33Å; V302-M328 HydrophobicContact CG1-CE 3.45Å; V302-M328 VanDerWaalsContact CG1-CE 3.45Å; V302-M328 HydrophobicContact CG2-CB 4.35Å; V302-M328 HydrophobicContact CG2-CE 4.2Å; V302-M328 HydrophobicContact CG2-CG 4.07Å; V302-M328 WeakPolarHBondContact CG2-O 3.48Å; V302-M328 PolarHBondContact N-O 3.28Å; F303-M328 HydrophobicContact CD2-CB 4.42Å; F303-M328 HydrophobicContact CE2-CB 3.67Å; F303-M328 HydrophobicContact CZ-CB 4.2Å; I326-M328 HydrophobicContact CD1-CB 4.35Å; I326-M328 HydrophobicContact CD1-SD 4.23Å; I326-M328 HydrophobicContact CG1-CB 4.35Å |
| 329 | F | 97.9 | Very high | 83.6 | Confident | 0 Ų | 0 | 51.1 Ų | 51.1 | 0% | 0 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.9 | 138 | -173.4 | -57.4 | -73.8 | 0 | 0 | 0 | 112.6 | V263 I264 Y266 I299 L300 D301 F308 I319 M327 I331 | V263-F329 VanDerWaalsContact CA-O 3.31Å; V263-F329 WeakPolarHBondContact CA-O 3.21Å; V263-F329 WeakPolarHBondContact CG2-O 3.37Å; I264-F329 HydrophobicContact CD1-CB 4.48Å; I264-F329 HydrophobicContact CD1-CD2 4.42Å; I264-F329 HydrophobicContact CG1-CB 3.97Å; I264-F329 HydrophobicContact CG1-CD2 4.33Å; I264-F329 PolarHBondContact N-O 3.5Å; I264-F329 PolarHBondContact O-N 3.14Å; Y266-F329 HydrophobicContact CD2-CD2 4.15Å; Y266-F329 HydrophobicContact CD2-CE2 4.01Å; Y266-F329 AromaticContact CE2-CD2 3.81Å; Y266-F329 HydrophobicContact CE2-CD2 3.81Å; Y266-F329 AromaticContact CE2-CE2 3.85Å; Y266-F329 HydrophobicContact CE2-CE2 3.85Å; I299-F329 HydrophobicContact CG2-CB 3.58Å; I299-F329 HydrophobicContact CG2-CD1 3.57Å; I299-F329 HydrophobicContact CG2-CE1 4.39Å; I299-F329 HydrophobicContact CG2-CG 3.63Å; L300-F329 CarbonylContact O-C 3.53Å; L300-F329 WeakPolarHBondContact O-CA 3.47Å; D301-F329 HydrophobicContact CB-CD1 4.38Å; D301-F329 HydrophobicContact CB-CE1 4.3Å; F308-F329 HydrophobicContact CB-CD1 4.19Å; F308-F329 HydrophobicContact CB-CE1 3.95Å; F308-F329 HydrophobicContact CD1-CD1 4.4Å; F308-F329 AromaticContact CD1-CE1 3.88Å; F308-F329 HydrophobicContact CD1-CE1 3.88Å; F308-F329 HydrophobicContact CD1-CZ 4.25Å; F308-F329 AromaticContact CD2-CE1 3.8Å; F308-F329 HydrophobicContact CD2-CE1 3.8Å; F308-F329 HydrophobicContact CD2-CZ 4.28Å; F308-F329 HydrophobicContact CE1-CE1 4.36Å; F308-F329 HydrophobicContact CE1-CZ 4.29Å; F308-F329 HydrophobicContact CE2-CE1 4.29Å; F308-F329 HydrophobicContact CE2-CZ 4.31Å; F308-F329 HydrophobicContact CG-CD1 4.21Å; F308-F329 AromaticContact CG-CE1 3.58Å; F308-F329 HydrophobicContact CG-CE1 3.58Å; F308-F329 HydrophobicContact CG-CZ 4.26Å; F308-F329 HydrophobicContact CZ-CZ 4.33Å; I319-F329 HydrophobicContact CG2-CE2 3.81Å; I319-F329 HydrophobicContact CG2-CZ 3.84Å; M327-F329 HydrophobicContact CB-CE2 3.81Å; M327-F329 HydrophobicContact CB-CZ 4Å; M327-F329 HydrophobicContact CE-CE1 4.18Å; M327-F329 HydrophobicContact CE-CZ 3.78Å; F329-I331 HydrophobicContact CB-CD1 4.05Å |
| 330 | R | 96.2 | Very high | 80.4 | Confident | 25 Ų | 25 | 56.7 Ų | 56.7 | 9% | 0.094 | 32% | 0.319 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83 | 126.1 | 164.7 | -172.9 | 72.4 | 176.9 | 125 | -17.6 | 108.4 | L255 P259 W262 I299 L300 V302 I332 | L255-R330 VanDerWaalsContact CD1-NH1 3.3Å; P259-R330 PolarHBondContact O-NH2 3.42Å; W262-R330 PolarHBondContact O-NH1 2.58Å; I299-R330 WeakPolarHBondContact CA-O 3.49Å; L300-R330 HydrophobicContact CB-CB 4.2Å; L300-R330 PolarHBondContact N-O 3.3Å; L300-R330 PolarHBondContact O-N 3.2Å; V302-R330 HydrophobicContact CG2-CB 4.44Å; R330-I332 HydrophobicContact CG-CD1 4.02Å; R330-I332 HydrophobicContact CG-CG1 3.74Å |
| 331 | I | 96.1 | Very high | 77.3 | Confident | 0 Ų | 0 | 67.1 Ų | 67.1 | 0% | 0 | 36% | 0.359 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.7 | 108.4 | 178.3 | -50.1 | -54.8 | 0 | 0 | 0 | 108.3 | W262 I264 L282 I292 F297 I299 F329 | W262-I331 HydrophobicContact CB-CB 4.32Å; W262-I331 HydrophobicContact CE3-CG2 4.41Å; W262-I331 PolarHBondContact N-O 3.34Å; W262-I331 VanDerWaalsContact N-O 3.13Å; W262-I331 PolarHBondContact O-N 3.44Å; I264-I331 HydrophobicContact CD1-CD1 3.76Å; I264-I331 HydrophobicContact CD1-CG1 4.07Å; I264-I331 HydrophobicContact CG1-CD1 3.94Å; I264-I331 HydrophobicContact CG1-CG1 3.95Å; I264-I331 HydrophobicContact CG2-CG1 4.16Å; L282-I331 HydrophobicContact CD1-CG2 3.97Å; L282-I331 HydrophobicContact CD2-CD1 3.72Å; L282-I331 HydrophobicContact CD2-CG1 4.2Å; L282-I331 HydrophobicContact CD2-CG2 4.45Å; I292-I331 HydrophobicContact CG2-CG2 4.4Å; F297-I331 HydrophobicContact CB-CG2 3.97Å; F297-I331 HydrophobicContact CD1-CG2 3.63Å; F297-I331 HydrophobicContact CE1-CG2 4.38Å; F297-I331 HydrophobicContact CG-CG2 3.92Å; I299-I331 HydrophobicContact CB-CD1 4.38Å; I299-I331 HydrophobicContact CD1-CD1 4.25Å; I299-I331 HydrophobicContact CG1-CD1 3.9Å; I299-I331 HydrophobicContact CG2-CD1 4.01Å; F329-I331 HydrophobicContact CB-CD1 4.05Å |
| 332 | I | 93.7 | Very high | 76.4 | Confident | 29 Ų | 29 | 70.5 Ų | 70.5 | 15% | 0.149 | 38% | 0.376 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.6 | 119.5 | -176 | -57.5 | 170.3 | 0 | 0 | 0 | 107.7 | P259 F297 E298 L300 R330 F334 | P259-I332 HydrophobicContact CB-CG2 3.86Å; P259-I332 HydrophobicContact CG-CD1 3.68Å; P259-I332 HydrophobicContact CG-CG1 3.92Å; P259-I332 HydrophobicContact CG-CG2 4.06Å; F297-I332 CarbonylContact C-O 3.5Å; F297-I332 VanDerWaalsContact CA-O 3.27Å; F297-I332 WeakPolarHBondContact CA-O 3.49Å; E298-I332 PolarHBondContact N-O 2.99Å; E298-I332 PolarHBondContact O-N 3.27Å; L300-I332 HydrophobicContact CD1-CD1 3.57Å; L300-I332 HydrophobicContact CG-CD1 4.1Å; R330-I332 HydrophobicContact CG-CD1 4.02Å; R330-I332 HydrophobicContact CG-CG1 3.74Å; I332-F334 PolarHBondContact O-N 3.49Å |
| 333 | P | 91.1 | Very high | 75.3 | Confident | 42 Ų | 42 | 70.7 Ų | 70.7 | 27% | 0.273 | 38% | 0.378 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -53.1 | 125.2 | 169.6 | -23.3 | 32.7 | 0 | 0 | 0 | 109.7 | S260 W262 F297 Q335 | S260-P333 WeakPolarHBondContact O-CD 3.11Å; W262-P333 HydrophobicContact CZ3-CG 3.95Å; F297-P333 HydrophobicContact CD1-CB 4.46Å; F297-P333 HydrophobicContact CD1-CG 4.47Å; F297-P333 HydrophobicContact CE1-CB 4.4Å; F297-P333 HydrophobicContact CE1-CG 4.3Å; P333-Q335 PolarHBondContact O-N 2.98Å |
| 334 | F | 83.3 | Confident | 74.3 | Confident | 86 Ų | 86 | 73 Ų | 73 | 38% | 0.377 | 39% | 0.388 | S | S | . | . | trans | -67.6 | 105.1 | 177.1 | -162.6 | -90 | 0 | 0 | 0 | 107.9 | K296 V310 I332 L336 | K296-F334 HydrophobicContact CB-CB 4.22Å; K296-F334 HydrophobicContact CG-CB 4.26Å; K296-F334 VanDerWaalsContact O-CB 3.25Å; K296-F334 WeakPolarHBondContact O-CB 3.49Å; K296-F334 PolarHBondContact O-N 2.84Å; V310-F334 HydrophobicContact CG1-CD2 4.31Å; I332-F334 PolarHBondContact O-N 3.49Å; F334-L336 HydrophobicContact CD1-CD2 4.45Å; F334-L336 HydrophobicContact CE1-CD2 4.36Å; F334-L336 PolarHBondContact O-N 2.79Å | ||
| 335 | Q | 71.1 | Confident | 73.3 | Confident | 172 Ų | 172 | 76.7 Ų | 76.7 | 80% | 0.804 | 41% | 0.407 | S | S | * | . | trans | -73.2 | 115.4 | 167.6 | -71.6 | -176 | -13 | 0 | 0 | 106.5 | P333 T337 | P333-Q335 PolarHBondContact O-N 2.98Å; Q335-T337 VanDerWaalsContact C-N 3.26Å; Q335-T337 PolarHBondContact O-N 2.93Å | ||
| 336 | L | 52.5 | Low | 71.9 | Confident | 144 Ų | 144 | 81.4 Ų | 81.4 | 75% | 0.754 | 43% | 0.432 | S | S | * | . | trans | -61 | 101.4 | 160.8 | -70.8 | 164.6 | 0 | 0 | 0 | 105 | F334 L338 | F334-L336 HydrophobicContact CD1-CD2 4.45Å; F334-L336 HydrophobicContact CE1-CD2 4.36Å; F334-L336 PolarHBondContact O-N 2.79Å; L336-L338 PolarHBondContact O-N 3.3Å | ||
| 337 | T | 41.9 | Very low | 70.2 | Confident | 124 Ų | 124 | 86.7 Ų | 86.7 | 76% | 0.761 | 46% | 0.459 | S | S | * | . | trans | -57.5 | 98.2 | 155.1 | 43.3 | 0 | 0 | 0 | 0 | 104.6 | Q335 S339 | Q335-T337 VanDerWaalsContact C-N 3.26Å; Q335-T337 PolarHBondContact O-N 2.93Å; T337-S339 PolarHBondContact O-N 3.02Å | ||
| 338 | L | 36.4 | Very low | 68.2 | Low | 164 Ų | 164 | 90.6 Ų | 90.6 | 86% | 0.859 | 48% | 0.481 | S | S | * | . | trans | -61.2 | 85.5 | 153.8 | -76.6 | 164.6 | 0 | 0 | 0 | 104 | L336 S340 | L336-L338 PolarHBondContact O-N 3.3Å; L338-S340 PolarHBondContact O-N 3.16Å | ||
| 339 | S | 34.1 | Very low | 65.8 | Low | 98 Ų | 98 | 97.6 Ų | 97.6 | 69% | 0.685 | 52% | 0.518 | S | S | * | . | trans | -62.7 | 100.2 | 161 | 53.6 | 0 | 0 | 0 | 0 | 104.9 | T337 K341 | T337-S339 PolarHBondContact O-N 3.02Å; S339-K341 PolarHBondContact O-N 2.94Å | ||
| 340 | S | 29.7 | Very low | 63.2 | Low | 117 Ų | 117 | 105.8 Ų | 105.8 | 82% | 0.818 | 56% | 0.562 | S | S | * | * | trans | -60.8 | 88.1 | 156.5 | 53.1 | 0 | 0 | 0 | 0 | 107.6 | L338 | L338-S340 PolarHBondContact O-N 3.16Š| ||
| 341 | K | 31.9 | Very low | 60.2 | Low | 268 Ų | 268 | 113.1 Ų | 113.1 | 100% | 1.165 | 60% | 0.604 | S | S | * | * | trans | -151.9 | 0 | 150.6 | -87 | -160.9 | 178.2 | -180 | 0 | 108.6 | S339 | S339-K341 PolarHBondContact O-N 2.94Š|
Retrieved 341 of 341 residues in 83.2 ms
(Link to these results)