| 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 | 87 | Confident | 96.6 | Very high | 79 Ų | 79 | 73.2 Ų | 73.2 | 39% | 0.389 | 38% | 0.384 | S | S | . | . | 0 | 120.3 | 0 | -70.5 | 167.6 | 68.6 | 0 | 0 | 106.9 | E3 F4 S279 I280 K283 | M1-E3 WeakPolarHBondContact CB-OE2 3.5Å; M1-E3 PolarHBondContact O-N 2.96Å; M1-F4 HydrophobicContact CB-CD2 3.6Å; M1-F4 HydrophobicContact CB-CE2 4.14Å; M1-F4 HydrophobicContact CB-CG 4.34Å; M1-F4 HydrophobicContact CE-CD2 4.25Å; M1-F4 HydrophobicContact CE-CE2 3.64Å; M1-F4 HydrophobicContact CE-CZ 4.49Å; M1-F4 WeakPolarHBondContact O-CB 3.38Å; M1-F4 PolarHBondContact O-N 3Å; M1-F4 HydrophobicContact SD-CD2 4.31Å; M1-F4 HydrophobicContact SD-CE2 3.89Å; M1-F4 HydrophobicContact SD-CZ 4.47Å; M1-S279 VanDerWaalsContact CE-C 3.42Å; M1-S279 VanDerWaalsContact CE-O 3.31Å; M1-S279 WeakPolarHBondContact CE-O 3.27Å; M1-S279 WeakPolarHBondContact CE-OG 3.41Å; M1-I280 HydrophobicContact CE-CG1 4.35Å; M1-K283 HydrophobicContact CE-CG 4.14Å; M1-K283 HydrophobicContact SD-CG 4.4Å | |||
| 2 | P | 94.8 | Very high | 96.7 | Very high | 106 Ų | 106 | 77.7 Ų | 77.7 | 69% | 0.688 | 40% | 0.398 | S | S | * | . | G | 310 helix | trans | -54.2 | -33.2 | -175.3 | -26.7 | 35.1 | 0 | 0 | 0 | 114.1 | F4 Q5 | P2-F4 PolarHBondContact O-N 3.18Å; P2-Q5 WeakPolarHBondContact O-CB 3.43Å; P2-Q5 PolarHBondContact O-N 3.41Å |
| 3 | E | 97.4 | Very high | 96.9 | Very high | 55 Ų | 55 | 78 Ų | 78 | 26% | 0.257 | 40% | 0.401 | S | S | . | . | G | 310 helix | trans | -60.2 | -30.7 | 179.2 | -53.9 | 83.4 | 175.7 | 0 | 0 | 111.7 | M1 Q5 V9 V276 S279 | M1-E3 WeakPolarHBondContact CB-OE2 3.5Å; M1-E3 PolarHBondContact O-N 2.96Å; E3-Q5 VanDerWaalsContact C-N 3.26Å; E3-Q5 PolarHBondContact O-N 3.21Å; E3-V9 WeakPolarHBondContact O-CG2 3.46Å; E3-V276 HydrophobicContact CB-CG2 4.34Å; E3-S279 VanDerWaalsContact CD-CB 3.44Å |
| 4 | F | 97.1 | Very high | 96.9 | Very high | 34 Ų | 34 | 77.2 Ų | 77.2 | 15% | 0.149 | 40% | 0.403 | C | S | . | . | G | 310 helix | trans | -79.6 | -5.7 | 177.7 | -74.4 | -117.3 | 0 | 0 | 0 | 113.2 | M1 P2 I11 V17 I21 I266 V276 I280 | M1-F4 HydrophobicContact CB-CD2 3.6Å; M1-F4 HydrophobicContact CB-CE2 4.14Å; M1-F4 HydrophobicContact CB-CG 4.34Å; M1-F4 HydrophobicContact CE-CD2 4.25Å; M1-F4 HydrophobicContact CE-CE2 3.64Å; M1-F4 HydrophobicContact CE-CZ 4.49Å; M1-F4 WeakPolarHBondContact O-CB 3.38Å; M1-F4 PolarHBondContact O-N 3Å; M1-F4 HydrophobicContact SD-CD2 4.31Å; M1-F4 HydrophobicContact SD-CE2 3.89Å; M1-F4 HydrophobicContact SD-CZ 4.47Å; P2-F4 PolarHBondContact O-N 3.18Å; F4-I11 HydrophobicContact CD1-CD1 3.65Å; F4-I11 HydrophobicContact CE1-CD1 4.03Å; F4-V17 HydrophobicContact CE1-CG1 4.18Å; F4-I21 HydrophobicContact CE1-CD1 4.08Å; F4-I21 HydrophobicContact CZ-CD1 3.79Å; F4-I266 HydrophobicContact CE1-CD1 3.67Å; F4-I266 HydrophobicContact CZ-CD1 3.98Å; F4-V276 HydrophobicContact CD2-CG1 4.48Å; F4-V276 HydrophobicContact CE2-CG1 3.94Å; F4-V276 HydrophobicContact CZ-CG1 4.02Å; F4-I280 HydrophobicContact CE2-CD1 4.45Å; F4-I280 HydrophobicContact CE2-CG1 4.11Å; F4-I280 HydrophobicContact CZ-CD1 3.91Å; F4-I280 HydrophobicContact CZ-CG1 3.86Å |
| 5 | Q | 96.8 | Very high | 97 | Very high | 161 Ų | 161 | 77.4 Ų | 77.4 | 75% | 0.752 | 41% | 0.409 | S | S | * | . | G | 310 helix | trans | -95.9 | -2.3 | 177.1 | -55.2 | -59.3 | -63.3 | 0 | 0 | 112.6 | P2 E3 | P2-Q5 WeakPolarHBondContact O-CB 3.43Å; P2-Q5 PolarHBondContact O-N 3.41Å; E3-Q5 VanDerWaalsContact C-N 3.26Å; E3-Q5 PolarHBondContact O-N 3.21Å |
| 6 | K | 97.3 | Very high | 97.1 | Very high | 68 Ų | 68 | 81.3 Ų | 81.3 | 30% | 0.296 | 42% | 0.417 | S | S | . | . | S | Bend | trans | -63.1 | 145.6 | 175.1 | -70.3 | -173.1 | 177.6 | -168.9 | 0 | 110.5 | S8 V9 E275 | K6-S8 PolarHBondContact O-N 3.23Å; K6-V9 HydrophobicContact CB-CG2 4.13Å; K6-V9 WeakPolarHBondContact O-CB 3.28Å; K6-V9 PolarHBondContact O-N 3.06Å; K6-E275 WeakPolarHBondContact CE-OE2 3.37Å; K6-E275 IonicContact NZ-OE1 2.66Å; K6-E275 PolarHBondContact NZ-OE1 3.28Å; K6-E275 IonicContact NZ-OE2 3.52Å; K6-E275 PolarHBondContact NZ-OE2 3.19Å |
| 7 | S | 97.6 | Very high | 97.2 | Very high | 124 Ų | 124 | 76.8 Ų | 76.8 | 87% | 0.867 | 39% | 0.394 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.4 | -21.1 | 178.5 | 55.1 | 0 | 0 | 0 | 0 | 113.9 | V9 | S7-V9 VanDerWaalsContact C-N 3.27Š|
| 8 | S | 98.1 | Very high | 97.3 | Very high | 17 Ų | 17 | 79.8 Ų | 79.8 | 12% | 0.119 | 41% | 0.406 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -71.4 | -20.1 | 174 | 52.9 | 0 | 0 | 0 | 0 | 112.9 | K6 L268 V269 D271 | K6-S8 PolarHBondContact O-N 3.23Å; S8-L268 WeakPolarHBondContact O-CA 3.5Å; S8-V269 VanDerWaalsContact CB-O 3.25Å; S8-V269 WeakPolarHBondContact CB-O 3.46Å; S8-V269 PolarHBondContact O-N 3.08Å; S8-D271 WeakPolarHBondContact CB-OD2 3.38Å; S8-D271 PolarHBondContact OG-OD2 3.47Å |
| 9 | V | 98.8 | Very high | 97.3 | Very high | 18 Ų | 18 | 82.3 Ų | 82.3 | 11% | 0.109 | 42% | 0.416 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.7 | 118.8 | -172.7 | -178.9 | 0 | 0 | 0 | 0 | 110.7 | E3 K6 S7 I11 I266 L268 V276 | E3-V9 WeakPolarHBondContact O-CG2 3.46Å; K6-V9 HydrophobicContact CB-CG2 4.13Å; K6-V9 WeakPolarHBondContact O-CB 3.28Å; K6-V9 PolarHBondContact O-N 3.06Å; S7-V9 VanDerWaalsContact C-N 3.27Å; V9-I11 HydrophobicContact CG1-CD1 3.85Å; V9-I11 HydrophobicContact CG1-CG1 3.99Å; V9-I266 HydrophobicContact CG1-CG2 4.24Å; V9-L268 HydrophobicContact CG2-CD2 3.83Å; V9-V276 HydrophobicContact CG2-CG2 3.9Å |
| 10 | R | 98.8 | Very high | 97.4 | Very high | 103 Ų | 103 | 79.1 Ų | 79.1 | 39% | 0.389 | 40% | 0.4 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.5 | 121.3 | 177.2 | -56.2 | -62 | -65 | -83.7 | -5.2 | 109.1 | L257 M261 V267 V269 | R10-L257 HydrophobicContact CB-CD1 4.32Å; R10-L257 HydrophobicContact CG-CD1 4.18Å; R10-L257 VanDerWaalsContact NH1-CD2 3.29Å; R10-M261 HydrophobicContact CB-CE 4.31Å; R10-M261 HydrophobicContact CB-CG 4.29Å; R10-M261 HydrophobicContact CB-SD 3.97Å; R10-V267 HydrophobicContact CB-CB 4.23Å; R10-V267 PolarHBondContact N-O 2.85Å; R10-V267 PolarHBondContact O-N 2.85Å; R10-V269 HydrophobicContact CG-CG2 3.72Å |
| 11 | I | 98.8 | Very high | 97.5 | Very high | 40 Ų | 40 | 76 Ų | 76 | 21% | 0.205 | 38% | 0.384 | C | S | . | . | trans | -130 | 121.8 | -177.5 | -64.2 | 172.1 | 0 | 0 | 0 | 108 | F4 V9 P14 V17 I266 | F4-I11 HydrophobicContact CD1-CD1 3.65Å; F4-I11 HydrophobicContact CE1-CD1 4.03Å; V9-I11 HydrophobicContact CG1-CD1 3.85Å; V9-I11 HydrophobicContact CG1-CG1 3.99Å; I11-P14 HydrophobicContact CG2-CB 4.11Å; I11-V17 HydrophobicContact CG2-CB 4.35Å; I11-V17 HydrophobicContact CG2-CG2 3.67Å; I11-I266 HydrophobicContact CD1-CG1 4.14Å; I11-I266 HydrophobicContact CD1-CG2 4.45Å; I11-I266 HydrophobicContact CG1-CB 4.38Å; I11-I266 HydrophobicContact CG1-CG1 4.12Å; I11-I266 HydrophobicContact CG1-CG2 4.17Å | ||
| 12 | K | 98.5 | Very high | 98 | Very high | 127 Ų | 127 | 75 Ų | 75 | 55% | 0.552 | 38% | 0.384 | S | S | * | . | S | Bend | trans | -73.6 | -41.9 | 179.6 | -172.8 | 173.6 | -179.9 | 175.5 | 0 | 112.1 | M261 D262 | K12-M261 HydrophobicContact CB-CB 4.31Å; K12-M261 HydrophobicContact CB-CE 4.05Å; K12-M261 VanDerWaalsContact CB-O 3.28Å; K12-M261 WeakPolarHBondContact CB-O 3.42Å; K12-M261 WeakPolarHBondContact CD-O 3.32Å; K12-D262 WeakPolarHBondContact CD-OD1 3.45Å; K12-D262 WeakPolarHBondContact CE-OD1 3.45Å; K12-D262 VanDerWaalsContact NZ-CG 3.33Å; K12-D262 IonicContact NZ-OD1 2.74Å; K12-D262 PolarHBondContact NZ-OD1 3.38Å; K12-D262 IonicContact NZ-OD2 3.58Å |
| 13 | N | 98.4 | Very high | 98.2 | Very high | 82 Ų | 82 | 70.1 Ų | 70.1 | 44% | 0.439 | 35% | 0.354 | S | S | . | . | trans | -130.6 | 88.6 | -179 | -171.8 | -20.5 | 0 | 0 | 0 | 110.8 | T15 R16 V17 | N13-T15 PolarHBondContact O-N 3.43Å; N13-T15 PolarHBondContact OD1-N 3.15Å; N13-R16 HydrophobicContact CB-CB 4.04Å; N13-R16 VanDerWaalsContact CG-CB 3.5Å; N13-R16 PolarHBondContact O-N 2.89Å; N13-R16 PolarHBondContact OD1-N 3.16Å; N13-R16 VanDerWaalsContact OD1-N 3.08Å; N13-V17 PolarHBondContact O-N 2.86Å; N13-V17 VanDerWaalsContact O-N 3.16Å | ||
| 14 | P | 98.1 | Very high | 98.3 | Very high | 67 Ų | 67 | 67.5 Ų | 67.5 | 44% | 0.435 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -65.2 | -36.6 | -175.7 | 24.5 | -33.2 | 0 | 0 | 0 | 113.1 | I11 R16 V17 E18 | I11-P14 HydrophobicContact CG2-CB 4.11Å; P14-R16 VanDerWaalsContact C-N 3.34Å; P14-R16 PolarHBondContact O-N 2.98Å; P14-V17 WeakPolarHBondContact O-CB 3.25Å; P14-V17 PolarHBondContact O-N 3.42Å; P14-V17 VanDerWaalsContact O-N 3.15Å; P14-E18 WeakPolarHBondContact O-CG 3.47Å; P14-E18 PolarHBondContact O-N 3.49Å |
| 15 | T | 98.4 | Very high | 98.4 | Very high | 80 Ų | 80 | 69.5 Ų | 69.5 | 49% | 0.491 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -61.4 | -42.8 | 177.3 | -53.9 | 0 | 0 | 0 | 0 | 111.5 | N13 V17 E18 E19 | N13-T15 PolarHBondContact O-N 3.43Å; N13-T15 PolarHBondContact OD1-N 3.15Å; T15-V17 PolarHBondContact O-N 2.65Å; T15-E18 WeakPolarHBondContact O-CB 3.23Å; T15-E18 PolarHBondContact O-N 3.34Å; T15-E19 WeakPolarHBondContact O-CG 3.49Å; T15-E19 PolarHBondContact O-N 3.45Å |
| 16 | R | 98.3 | Very high | 98.4 | Very high | 140 Ų | 140 | 69.9 Ų | 69.9 | 53% | 0.528 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -62.7 | -41.8 | 174.1 | 176.4 | 176.2 | 169.8 | 144.9 | 1.7 | 112 | N13 P14 E18 E19 I20 D265 | N13-R16 HydrophobicContact CB-CB 4.04Å; N13-R16 VanDerWaalsContact CG-CB 3.5Å; N13-R16 PolarHBondContact O-N 2.89Å; N13-R16 PolarHBondContact OD1-N 3.16Å; N13-R16 VanDerWaalsContact OD1-N 3.08Å; P14-R16 VanDerWaalsContact C-N 3.34Å; P14-R16 PolarHBondContact O-N 2.98Å; R16-E18 VanDerWaalsContact C-N 3.32Å; R16-E18 PolarHBondContact O-N 3.29Å; R16-E19 PolarHBondContact O-N 2.71Å; R16-I20 HydrophobicContact CG-CD1 3.95Å; R16-I20 VanDerWaalsContact O-CG1 3.28Å; R16-I20 WeakPolarHBondContact O-CG1 3.16Å; R16-I20 PolarHBondContact O-N 2.82Å; R16-D265 IonicContact NE-OD1 2.85Å |
| 17 | V | 98.7 | Very high | 98.5 | Very high | 4 Ų | 4 | 67.5 Ų | 67.5 | 2% | 0.024 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -60.5 | -43.7 | 175.9 | 169.2 | 0 | 0 | 0 | 0 | 111.1 | F4 I11 N13 P14 T15 I20 I21 L244 D265 I266 | F4-V17 HydrophobicContact CE1-CG1 4.18Å; I11-V17 HydrophobicContact CG2-CB 4.35Å; I11-V17 HydrophobicContact CG2-CG2 3.67Å; N13-V17 PolarHBondContact O-N 2.86Å; N13-V17 VanDerWaalsContact O-N 3.16Å; P14-V17 WeakPolarHBondContact O-CB 3.25Å; P14-V17 PolarHBondContact O-N 3.42Å; P14-V17 VanDerWaalsContact O-N 3.15Å; T15-V17 PolarHBondContact O-N 2.65Å; V17-I20 PolarHBondContact O-N 2.88Å; V17-I21 HydrophobicContact CG1-CD1 3.66Å; V17-I21 HydrophobicContact CG1-CG1 4.37Å; V17-I21 WeakPolarHBondContact O-CG1 3.44Å; V17-I21 PolarHBondContact O-N 3.32Å; V17-L244 HydrophobicContact CG1-CD1 4.38Å; V17-D265 HydrophobicContact CG2-CB 3.87Å; V17-D265 WeakPolarHBondContact CG2-O 3.3Å; V17-I266 HydrophobicContact CG1-CD1 3.92Å; V17-I266 HydrophobicContact CG1-CG1 4.02Å; V17-I266 HydrophobicContact CG2-CG1 4.11Å |
| 18 | E | 98.4 | Very high | 98.5 | Very high | 131 Ų | 131 | 62.3 Ų | 62.3 | 61% | 0.612 | 31% | 0.313 | S | S | * | . | H | α-helix | trans | -61.7 | -43.3 | 176.6 | -71.8 | 171.9 | 178.3 | 0 | 0 | 112.1 | P14 T15 R16 I21 C22 | P14-E18 WeakPolarHBondContact O-CG 3.47Å; P14-E18 PolarHBondContact O-N 3.49Å; T15-E18 WeakPolarHBondContact O-CB 3.23Å; T15-E18 PolarHBondContact O-N 3.34Å; R16-E18 VanDerWaalsContact C-N 3.32Å; R16-E18 PolarHBondContact O-N 3.29Å; E18-I21 PolarHBondContact O-N 3.41Å; E18-C22 VanDerWaalsContact O-CB 3.23Å; E18-C22 WeakPolarHBondContact O-CB 3.15Å; E18-C22 PolarHBondContact O-N 3.49Å |
| 19 | E | 98.6 | Very high | 98.5 | Very high | 127 Ų | 127 | 63.1 Ų | 63.1 | 59% | 0.593 | 32% | 0.32 | S | S | * | . | H | α-helix | trans | -60.6 | -45.5 | 175.7 | -73.4 | 171.5 | 178.9 | 0 | 0 | 111.8 | T15 R16 C22 G23 | T15-E19 WeakPolarHBondContact O-CG 3.49Å; T15-E19 PolarHBondContact O-N 3.45Å; R16-E19 PolarHBondContact O-N 2.71Å; E19-C22 WeakPolarHBondContact O-CB 3.31Å; E19-C22 PolarHBondContact O-N 3.44Å; E19-G23 PolarHBondContact O-N 3.27Å |
| 20 | I | 98.8 | Very high | 98.5 | Very high | 19 Ų | 19 | 66.3 Ų | 66.3 | 10% | 0.097 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -61.8 | -51.3 | 177 | -66 | 164.4 | 0 | 0 | 0 | 110 | R16 V17 C22 G23 L24 L244 | R16-I20 HydrophobicContact CG-CD1 3.95Å; R16-I20 VanDerWaalsContact O-CG1 3.28Å; R16-I20 WeakPolarHBondContact O-CG1 3.16Å; R16-I20 PolarHBondContact O-N 2.82Å; V17-I20 PolarHBondContact O-N 2.88Å; I20-C22 VanDerWaalsContact C-N 3.28Å; I20-C22 PolarHBondContact O-N 3.14Å; I20-G23 CarbonylContact O-C 3.56Å; I20-G23 WeakPolarHBondContact O-CA 3.31Å; I20-G23 PolarHBondContact O-N 2.57Å; I20-L24 HydrophobicContact CG2-CD1 4.44Å; I20-L24 HydrophobicContact CG2-CG 4.42Å; I20-L24 WeakPolarHBondContact O-CG 3.36Å; I20-L24 PolarHBondContact O-N 3.12Å; I20-L244 HydrophobicContact CB-CD1 4.46Å; I20-L244 HydrophobicContact CG2-CB 3.72Å; I20-L244 HydrophobicContact CG2-CD1 4.02Å; I20-L244 HydrophobicContact CG2-CG 4.45Å |
| 21 | I | 98.8 | Very high | 98.5 | Very high | 14 Ų | 14 | 64.6 Ų | 64.6 | 7% | 0.072 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -60.4 | -39.3 | 179.8 | -68.9 | 170 | 0 | 0 | 0 | 110.9 | F4 V17 E18 G23 L24 I25 L244 I280 | F4-I21 HydrophobicContact CE1-CD1 4.08Å; F4-I21 HydrophobicContact CZ-CD1 3.79Å; V17-I21 HydrophobicContact CG1-CD1 3.66Å; V17-I21 HydrophobicContact CG1-CG1 4.37Å; V17-I21 WeakPolarHBondContact O-CG1 3.44Å; V17-I21 PolarHBondContact O-N 3.32Å; E18-I21 PolarHBondContact O-N 3.41Å; I21-G23 VanDerWaalsContact C-N 3.31Å; I21-G23 PolarHBondContact O-N 3.32Å; I21-L24 WeakPolarHBondContact O-CB 3.42Å; I21-L24 PolarHBondContact O-N 3.27Å; I21-I25 HydrophobicContact CG2-CD1 3.82Å; I21-I25 HydrophobicContact CG2-CG1 4.34Å; I21-I25 VanDerWaalsContact O-CG1 3.28Å; I21-I25 WeakPolarHBondContact O-CG1 3.45Å; I21-I25 PolarHBondContact O-N 2.85Å; I21-L244 HydrophobicContact CD1-CD2 4.41Å; I21-L244 HydrophobicContact CG1-CD2 3.97Å; I21-I280 HydrophobicContact CD1-CD1 4.38Å; I21-I280 HydrophobicContact CD1-CG1 4.16Å |
| 22 | C | 98.6 | Very high | 98.5 | Very high | 57 Ų | 57 | 62.7 Ų | 62.7 | 39% | 0.385 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -60.5 | -41.3 | 174.1 | -175.2 | 0 | 0 | 0 | 0 | 111.7 | E18 E19 I20 I25 K26 | E18-C22 VanDerWaalsContact O-CB 3.23Å; E18-C22 WeakPolarHBondContact O-CB 3.15Å; E18-C22 PolarHBondContact O-N 3.49Å; E19-C22 WeakPolarHBondContact O-CB 3.31Å; E19-C22 PolarHBondContact O-N 3.44Å; I20-C22 VanDerWaalsContact C-N 3.28Å; I20-C22 PolarHBondContact O-N 3.14Å; C22-I25 PolarHBondContact O-N 2.94Å; C22-K26 WeakPolarHBondContact O-CB 3.06Å; C22-K26 VanDerWaalsContact O-CG 3.28Å; C22-K26 WeakPolarHBondContact O-CG 3.49Å; C22-K26 PolarHBondContact O-N 3.03Å |
| 23 | G | 98.7 | Very high | 98.5 | Very high | 5 Ų | 5 | 56.7 Ų | 56.7 | 5% | 0.052 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -61.2 | -44.4 | 171.9 | 0 | 0 | 0 | 0 | 0 | 113.3 | E19 I20 I21 K26 G27 N220 H242 | E19-G23 PolarHBondContact O-N 3.27Å; I20-G23 CarbonylContact O-C 3.56Å; I20-G23 WeakPolarHBondContact O-CA 3.31Å; I20-G23 PolarHBondContact O-N 2.57Å; I21-G23 VanDerWaalsContact C-N 3.31Å; I21-G23 PolarHBondContact O-N 3.32Å; G23-K26 PolarHBondContact O-N 2.9Å; G23-G27 PolarHBondContact O-N 3.2Å; G23-G27 VanDerWaalsContact O-N 3.07Å; G23-N220 PolarHBondContact O-ND2 3.34Å; G23-H242 VanDerWaalsContact C-CD2 3.47Å; G23-H242 VanDerWaalsContact CA-CD2 3.41Å; G23-H242 WeakPolarHBondContact CA-CD2 3.3Å; G23-H242 WeakPolarHBondContact CA-NE2 3.46Å |
| 24 | L | 98.8 | Very high | 98.5 | Very high | 0 Ų | 0 | 52.8 Ų | 52.8 | 0% | 0 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -60.2 | -46.6 | 175.6 | -61.7 | 179.1 | 0 | 0 | 0 | 111.6 | I20 I21 K26 G27 G28 N220 I222 H242 L244 I280 I284 | I20-L24 HydrophobicContact CG2-CD1 4.44Å; I20-L24 HydrophobicContact CG2-CG 4.42Å; I20-L24 WeakPolarHBondContact O-CG 3.36Å; I20-L24 PolarHBondContact O-N 3.12Å; I21-L24 WeakPolarHBondContact O-CB 3.42Å; I21-L24 PolarHBondContact O-N 3.27Å; L24-K26 PolarHBondContact O-N 3.3Å; L24-G27 PolarHBondContact O-N 3.28Å; L24-G28 PolarHBondContact O-N 2.91Å; L24-N220 HydrophobicContact CD2-CB 3.67Å; L24-I222 HydrophobicContact CD1-CD1 4.27Å; L24-I222 HydrophobicContact CD1-CG1 3.89Å; L24-H242 HydrophobicContact CD2-CB 3.94Å; L24-L244 HydrophobicContact CD1-CB 3.91Å; L24-L244 HydrophobicContact CD1-CD2 4.17Å; L24-I280 HydrophobicContact CD1-CG2 4.47Å; L24-I284 HydrophobicContact CB-CD1 3.66Å; L24-I284 HydrophobicContact CB-CG1 4.03Å; L24-I284 HydrophobicContact CD1-CD1 4.1Å; L24-I284 HydrophobicContact CG-CD1 4.49Å |
| 25 | I | 98.7 | Very high | 98.5 | Very high | 75 Ų | 75 | 49.6 Ų | 49.6 | 39% | 0.385 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -61.6 | -43.2 | 177.8 | -67 | 165.8 | 0 | 0 | 0 | 110.9 | I21 C22 G27 G28 K283 I284 | I21-I25 HydrophobicContact CG2-CD1 3.82Å; I21-I25 HydrophobicContact CG2-CG1 4.34Å; I21-I25 VanDerWaalsContact O-CG1 3.28Å; I21-I25 WeakPolarHBondContact O-CG1 3.45Å; I21-I25 PolarHBondContact O-N 2.85Å; C22-I25 PolarHBondContact O-N 2.94Å; I25-G27 VanDerWaalsContact C-N 3.29Å; I25-G27 PolarHBondContact O-N 3.27Å; I25-G28 PolarHBondContact O-N 3.19Å; I25-K283 HydrophobicContact CD1-CB 3.81Å; I25-K283 HydrophobicContact CG1-CB 4.07Å; I25-I284 HydrophobicContact CG1-CG1 3.98Å |
| 26 | K | 98.6 | Very high | 98.6 | Very high | 170 Ų | 170 | 45.8 Ų | 45.8 | 74% | 0.739 | 24% | 0.243 | S | C | * | . | H | α-helix | trans | -62.1 | -35.5 | 177.6 | -76.9 | 170.9 | -179.5 | 171.9 | 0 | 112.8 | C22 G23 L24 | C22-K26 WeakPolarHBondContact O-CB 3.06Å; C22-K26 VanDerWaalsContact O-CG 3.28Å; C22-K26 WeakPolarHBondContact O-CG 3.49Å; C22-K26 PolarHBondContact O-N 3.03Å; G23-K26 PolarHBondContact O-N 2.9Å; L24-K26 PolarHBondContact O-N 3.3Å |
| 27 | G | 98.1 | Very high | 98.6 | Very high | 18 Ų | 18 | 39.5 Ų | 39.5 | 19% | 0.186 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -77.3 | -28.4 | 177.1 | 0 | 0 | 0 | 0 | 0 | 113.8 | G23 L24 I25 | G23-G27 PolarHBondContact O-N 3.2Å; G23-G27 VanDerWaalsContact O-N 3.07Å; L24-G27 PolarHBondContact O-N 3.28Å; I25-G27 VanDerWaalsContact C-N 3.29Å; I25-G27 PolarHBondContact O-N 3.27Å |
| 28 | G | 98.5 | Very high | 98.6 | Very high | 15 Ų | 15 | 39.3 Ų | 39.3 | 16% | 0.155 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | 60.4 | -163.2 | 179.3 | 0 | 0 | 0 | 0 | 0 | 113.5 | L24 I25 A30 K31 L32 | L24-G28 PolarHBondContact O-N 2.91Å; I25-G28 PolarHBondContact O-N 3.19Å; G28-A30 VanDerWaalsContact C-N 3.31Å; G28-A30 PolarHBondContact O-N 3.13Å; G28-K31 PolarHBondContact O-N 3.02Å; G28-L32 PolarHBondContact O-N 3.48Å |
| 29 | A | 98.2 | Very high | 98.6 | Very high | 34 Ų | 34 | 33.9 Ų | 33.9 | 28% | 0.281 | 19% | 0.194 | S | C | . | . | H | α-helix | trans | -56 | -41.3 | -178.6 | 0 | 0 | 0 | 0 | 0 | 113.6 | K31 L32 H144 I146 L285 | A29-K31 PolarHBondContact O-N 3Å; A29-K31 VanDerWaalsContact O-N 3.17Å; A29-L32 PolarHBondContact O-N 3.33Å; A29-L32 VanDerWaalsContact O-N 3.14Å; A29-H144 HydrophobicContact CB-CB 4.37Å; A29-I146 HydrophobicContact CB-CD1 3.8Å; A29-I146 WeakPolarHBondContact O-CD1 3.3Å; A29-L285 HydrophobicContact CB-CD2 3.55Å |
| 30 | A | 97.8 | Very high | 98.6 | Very high | 84 Ų | 84 | 28.2 Ų | 28.2 | 69% | 0.694 | 17% | 0.168 | S | C | * | . | H | α-helix | trans | -63.7 | -25.4 | -172.4 | 0 | 0 | 0 | 0 | 0 | 113.8 | G28 | G28-A30 VanDerWaalsContact C-N 3.31Å; G28-A30 PolarHBondContact O-N 3.13Å |
| 31 | K | 98.4 | Very high | 98.6 | Very high | 67 Ų | 67 | 27.3 Ų | 27.3 | 29% | 0.291 | 16% | 0.163 | S | C | . | . | H | α-helix | trans | -102.1 | -9.2 | 178 | -66.2 | -160.6 | 176.2 | -162.2 | 0 | 113.7 | G28 A29 N218 S219 N220 E241 | G28-K31 PolarHBondContact O-N 3.02Å; A29-K31 PolarHBondContact O-N 3Å; A29-K31 VanDerWaalsContact O-N 3.17Å; K31-N218 CarbonylContact O-C 3.28Å; K31-N218 WeakPolarHBondContact O-CA 3.49Å; K31-S219 PolarHBondContact O-N 2.93Å; K31-N220 HydrophobicContact CB-CB 4.11Å; K31-N220 WeakPolarHBondContact O-CA 3.49Å; K31-N220 WeakPolarHBondContact O-CB 3.39Å; K31-N220 PolarHBondContact O-N 2.86Å; K31-E241 IonicContact NZ-OE1 2.59Å; K31-E241 PolarHBondContact NZ-OE1 2.73Å; K31-E241 IonicContact NZ-OE2 3.02Å; K31-E241 PolarHBondContact NZ-OE2 3.02Å |
| 32 | L | 98.8 | Very high | 98.6 | Very high | 1 Ų | 1 | 26.7 Ų | 26.7 | 1% | 0.005 | 16% | 0.16 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.6 | 140 | -170.2 | -174.5 | 66.7 | 0 | 0 | 0 | 111.7 | G28 A29 I34 I146 N218 N220 I222 L281 I284 L285 | G28-L32 PolarHBondContact O-N 3.48Å; A29-L32 PolarHBondContact O-N 3.33Å; A29-L32 VanDerWaalsContact O-N 3.14Å; L32-I34 HydrophobicContact CD1-CD1 4.48Å; L32-I34 HydrophobicContact CD2-CD1 4.38Å; L32-I34 HydrophobicContact CG-CD1 4.37Å; L32-I146 HydrophobicContact CB-CD1 4.33Å; L32-I146 HydrophobicContact CB-CG2 4.29Å; L32-I146 HydrophobicContact CD2-CD1 4.48Å; L32-I146 HydrophobicContact CD2-CG1 4.44Å; L32-I146 HydrophobicContact CD2-CG2 4.05Å; L32-I146 HydrophobicContact CG-CG2 3.94Å; L32-N218 PolarHBondContact O-ND2 3.18Å; L32-N220 CarbonylContact C-O 3.53Å; L32-N220 VanDerWaalsContact CA-O 3.32Å; L32-N220 WeakPolarHBondContact CA-O 3.29Å; L32-I222 HydrophobicContact CD1-CD1 4.17Å; L32-I222 HydrophobicContact CD1-CG1 4.11Å; L32-L281 HydrophobicContact CD2-CD2 3.85Å; L32-I284 HydrophobicContact CD2-CD1 4.47Å; L32-I284 HydrophobicContact CD2-CG2 4.15Å; L32-L285 HydrophobicContact CD2-CD2 4.28Å |
| 33 | Q | 98.7 | Very high | 98.6 | Very high | 1 Ų | 1 | 24 Ų | 24 | 1% | 0.005 | 14% | 0.141 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139 | 155.1 | 160.2 | 62.2 | 178.5 | -59.7 | 0 | 0 | 110.6 | P147 N218 N220 I221 I222 | Q33-P147 HydrophobicContact CB-CB 4.28Å; Q33-N218 HydrophobicContact CB-CB 3.95Å; Q33-N218 HydrophobicContact CG-CB 4.03Å; Q33-N218 PolarHBondContact NE2-O 3.26Å; Q33-N220 PolarHBondContact N-O 3.37Å; Q33-I221 HydrophobicContact CG-CG1 3.82Å; Q33-I221 WeakPolarHBondContact O-CA 3.06Å; Q33-I222 PolarHBondContact O-N 3.2Å; Q33-I222 VanDerWaalsContact O-N 3.16Å |
| 34 | I | 98.8 | Very high | 98.6 | Very high | 0 Ų | 0 | 25.6 Ų | 25.6 | 0% | 0 | 15% | 0.146 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.4 | 132 | 178.4 | -51.6 | -57.5 | 0 | 0 | 0 | 109.3 | L32 T36 F137 L141 I146 P147 V148 F149 I222 L281 | L32-I34 HydrophobicContact CD1-CD1 4.48Å; L32-I34 HydrophobicContact CD2-CD1 4.38Å; L32-I34 HydrophobicContact CG-CD1 4.37Å; I34-T36 HydrophobicContact CG2-CG2 4.38Å; I34-F137 HydrophobicContact CG2-CZ 4.04Å; I34-L141 HydrophobicContact CD1-CD2 3.95Å; I34-L141 HydrophobicContact CG1-CD1 3.91Å; I34-L141 HydrophobicContact CG1-CD2 3.6Å; I34-L141 HydrophobicContact CG1-CG 4.42Å; I34-I146 HydrophobicContact CG1-CG2 4.05Å; I34-P147 PolarHBondContact N-O 2.8Å; I34-V148 HydrophobicContact CB-CB 4.46Å; I34-V148 HydrophobicContact CB-CG1 4.29Å; I34-V148 HydrophobicContact CB-CG2 4.2Å; I34-V148 HydrophobicContact CG1-CG2 4.28Å; I34-V148 HydrophobicContact CG2-CG1 4.31Å; I34-F149 PolarHBondContact O-N 2.84Å; I34-I222 HydrophobicContact CD1-CB 3.82Å; I34-I222 HydrophobicContact CD1-CD1 4.22Å; I34-I222 HydrophobicContact CD1-CG1 4.4Å; I34-L281 HydrophobicContact CD1-CD2 4.24Å |
| 35 | I | 98.8 | Very high | 98.6 | Very high | 0 Ų | 0 | 27 Ų | 27 | 0% | 0 | 15% | 0.152 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123 | 121 | 171.6 | -61.3 | 179.4 | 0 | 0 | 0 | 107.3 | F149 F212 I221 I222 L223 L224 M233 A234 V237 | I35-F149 WeakPolarHBondContact CA-O 3.38Å; I35-F149 HydrophobicContact CG1-CB 4.4Å; I35-F149 HydrophobicContact CG2-CD1 4.35Å; I35-F212 HydrophobicContact CD1-CE1 3.83Å; I35-F212 HydrophobicContact CD1-CZ 4.29Å; I35-F212 HydrophobicContact CG1-CE1 4.49Å; I35-I221 HydrophobicContact CB-CG2 4.37Å; I35-I221 HydrophobicContact CD1-CG2 3.98Å; I35-I221 HydrophobicContact CG1-CG2 4.1Å; I35-I222 PolarHBondContact N-O 3.38Å; I35-L223 CarbonylContact O-C 3.56Å; I35-L223 WeakPolarHBondContact O-CA 3.16Å; I35-L224 PolarHBondContact O-N 3.05Å; I35-M233 HydrophobicContact CG2-CB 3.51Å; I35-M233 HydrophobicContact CG2-CE 4.36Å; I35-A234 HydrophobicContact CD1-CB 3.92Å; I35-V237 HydrophobicContact CD1-CG2 3.52Å |
| 36 | T | 98.9 | Very high | 98.5 | Very high | 0 Ų | 0 | 25.3 Ų | 25.3 | 0% | 0 | 15% | 0.147 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.9 | 142.4 | -170.7 | -177.1 | 0 | 0 | 0 | 0 | 112 | I34 L42 V148 F149 I150 F151 L224 | I34-T36 HydrophobicContact CG2-CG2 4.38Å; T36-L42 HydrophobicContact CG2-CD1 3.79Å; T36-L42 HydrophobicContact CG2-CG 4.43Å; T36-V148 HydrophobicContact CG2-CG1 4.33Å; T36-F149 PolarHBondContact N-O 2.92Å; T36-I150 HydrophobicContact CG2-CB 4.38Å; T36-I150 HydrophobicContact CG2-CG1 3.87Å; T36-I150 CarbonylContact O-C 3.56Å; T36-I150 WeakPolarHBondContact O-CA 3.26Å; T36-F151 PolarHBondContact O-N 2.77Å; T36-L224 WeakPolarHBondContact CA-O 3.24Å; T36-L224 WeakPolarHBondContact OG1-CB 3.32Å |
| 37 | D | 98.8 | Very high | 98.4 | Very high | 8 Ų | 8 | 21.7 Ų | 21.7 | 4% | 0.043 | 13% | 0.129 | C | C | . | . | trans | -70.1 | 172.5 | 158.5 | -174.4 | 58.7 | 0 | 0 | 0 | 110.1 | D39 T41 L42 K201 L224 M233 | D37-D39 PolarHBondContact OD2-N 2.9Å; D37-T41 HydrophobicContact CB-CG2 4.39Å; D37-L42 WeakPolarHBondContact O-CG 3.28Å; D37-K201 VanDerWaalsContact CG-NZ 3.31Å; D37-K201 IonicContact OD1-NZ 2.69Å; D37-K201 PolarHBondContact OD1-NZ 3.35Å; D37-L224 PolarHBondContact N-O 3.22Å; D37-M233 HydrophobicContact CB-CE 4.26Å; D37-M233 HydrophobicContact CB-SD 4.24Å | ||
| 38 | F | 98.9 | Very high | 98.3 | Very high | 0 Ų | 0 | 29.4 Ų | 29.4 | 0% | 0 | 16% | 0.158 | C | C | . | . | trans | -112.4 | -56.6 | 176.9 | -175.6 | -102.2 | 0 | 0 | 0 | 113.3 | M40 T41 L42 S43 C55 L130 I150 L159 V162 I163 | F38-M40 PolarHBondContact O-N 3.34Å; F38-T41 PolarHBondContact O-N 3.39Å; F38-L42 HydrophobicContact CD2-CB 4.05Å; F38-L42 HydrophobicContact CD2-CD1 4Å; F38-L42 HydrophobicContact CE2-CB 4.41Å; F38-L42 PolarHBondContact O-N 3.2Å; F38-S43 PolarHBondContact O-N 3.37Å; F38-S43 PolarHBondContact O-OG 2.77Å; F38-C55 WeakPolarHBondContact CE1-SG 3.35Å; F38-L130 HydrophobicContact CE2-CD2 4.07Å; F38-L130 HydrophobicContact CZ-CD2 4.12Å; F38-I150 HydrophobicContact CB-CG2 3.84Å; F38-I150 HydrophobicContact CD2-CG2 4.31Å; F38-I150 HydrophobicContact CG-CG2 4.49Å; F38-L159 HydrophobicContact CB-CD1 3.55Å; F38-L159 HydrophobicContact CB-CG 4.24Å; F38-L159 HydrophobicContact CD1-CB 4.33Å; F38-L159 HydrophobicContact CD1-CD1 3.84Å; F38-L159 HydrophobicContact CD1-CG 3.73Å; F38-L159 HydrophobicContact CD2-CD1 3.96Å; F38-L159 HydrophobicContact CD2-CD2 4.22Å; F38-L159 HydrophobicContact CD2-CG 3.73Å; F38-L159 HydrophobicContact CE1-CB 4.34Å; F38-L159 HydrophobicContact CE1-CG 3.94Å; F38-L159 HydrophobicContact CE2-CD2 4.35Å; F38-L159 HydrophobicContact CE2-CG 3.96Å; F38-L159 HydrophobicContact CG-CD1 3.49Å; F38-L159 VanDerWaalsContact CG-CD1 3.49Å; F38-L159 HydrophobicContact CG-CG 3.61Å; F38-L159 HydrophobicContact CZ-CG 4.05Å; F38-V162 HydrophobicContact CZ-CB 4.09Å; F38-V162 HydrophobicContact CZ-CG1 3.86Å; F38-I163 HydrophobicContact CE2-CG2 3.66Å; F38-I163 HydrophobicContact CZ-CG2 4.3Å | ||
| 39 | D | 98.6 | Very high | 98 | Very high | 17 Ų | 17 | 32.6 Ų | 32.6 | 9% | 0.091 | 19% | 0.191 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -74.7 | 124 | -168.7 | -83.9 | -49.2 | 0 | 0 | 0 | 109.1 | D37 T41 S43 T54 C55 D226 | D37-D39 PolarHBondContact OD2-N 2.9Å; D39-T41 PolarHBondContact O-N 3.02Å; D39-S43 WeakPolarHBondContact CA-OG 3.39Å; D39-T54 HydrophobicContact CB-CG2 4.24Å; D39-T54 WeakPolarHBondContact OD1-CA 3.5Å; D39-C55 PolarHBondContact OD1-N 2.83Å; D39-C55 PolarHBondContact OD2-N 2.83Å; D39-D226 VanDerWaalsContact O-OD1 3.14Å |
| 40 | M | 98.3 | Very high | 97.9 | Very high | 8 Ų | 8 | 37.1 Ų | 37.1 | 4% | 0.039 | 20% | 0.204 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 66.8 | -5.8 | -178.1 | -34.1 | -67.5 | 88.4 | 0 | 0 | 115 | F38 S43 R44 F45 T54 K131 N250 | F38-M40 PolarHBondContact O-N 3.34Å; M40-S43 CarbonylContact C-O 3.55Å; M40-S43 WeakPolarHBondContact CA-O 3.39Å; M40-S43 WeakPolarHBondContact CE-OG 3.42Å; M40-S43 PolarHBondContact N-OG 2.63Å; M40-R44 WeakPolarHBondContact CE-O 3.49Å; M40-F45 HydrophobicContact CB-CD2 4.4Å; M40-F45 HydrophobicContact CG-CD2 4.2Å; M40-F45 HydrophobicContact SD-CB 4.34Å; M40-F45 HydrophobicContact SD-CD2 3.77Å; M40-F45 HydrophobicContact SD-CG 4.46Å; M40-T54 HydrophobicContact CE-CG2 3.79Å; M40-T54 HydrophobicContact SD-CG2 4.18Å; M40-K131 VanDerWaalsContact O-CE 3.25Å; M40-K131 WeakPolarHBondContact O-CE 3.35Å; M40-K131 PolarHBondContact O-NZ 2.99Å; M40-N250 PolarHBondContact O-ND2 2.77Å |
| 41 | T | 98.8 | Very high | 97.8 | Very high | 0 Ų | 0 | 37.5 Ų | 37.5 | 0% | 0 | 19% | 0.188 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -98 | -57.3 | 170.7 | -67.8 | 0 | 0 | 0 | 0 | 112 | D37 F38 D39 K131 L224 G225 D226 Y248 | D37-T41 HydrophobicContact CB-CG2 4.39Å; F38-T41 PolarHBondContact O-N 3.39Å; D39-T41 PolarHBondContact O-N 3.02Å; T41-K131 WeakPolarHBondContact O-CD 3.06Å; T41-K131 WeakPolarHBondContact O-CE 3.5Å; T41-L224 HydrophobicContact CG2-CB 3.72Å; T41-G225 VanDerWaalsContact OG1-CA 3.31Å; T41-G225 WeakPolarHBondContact OG1-CA 3.4Å; T41-D226 WeakPolarHBondContact OG1-CB 3.35Å; T41-D226 PolarHBondContact OG1-N 3.2Å; T41-D226 VanDerWaalsContact OG1-N 3.08Å; T41-D226 PolarHBondContact OG1-OD1 3.42Å; T41-Y248 HydrophobicContact CG2-CD2 4.14Å; T41-Y248 HydrophobicContact CG2-CE2 4.25Å |
| 42 | L | 98.9 | Very high | 97.7 | Very high | 1 Ų | 1 | 34.7 Ų | 34.7 | 1% | 0.005 | 18% | 0.176 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -94.6 | -32.7 | 173 | -68.2 | 175.6 | 0 | 0 | 0 | 111.3 | T36 D37 F38 L130 K131 F137 F138 I150 L274 | T36-L42 HydrophobicContact CG2-CD1 3.79Å; T36-L42 HydrophobicContact CG2-CG 4.43Å; D37-L42 WeakPolarHBondContact O-CG 3.28Å; F38-L42 HydrophobicContact CD2-CB 4.05Å; F38-L42 HydrophobicContact CD2-CD1 4Å; F38-L42 HydrophobicContact CE2-CB 4.41Å; F38-L42 PolarHBondContact O-N 3.2Å; L42-L130 WeakPolarHBondContact O-CA 3.47Å; L42-K131 PolarHBondContact O-N 3.42Å; L42-F137 HydrophobicContact CD2-CD1 4.47Å; L42-F137 HydrophobicContact CD2-CE1 4.07Å; L42-F138 HydrophobicContact CD1-CZ 4Å; L42-I150 HydrophobicContact CD1-CD1 4.06Å; L42-I150 HydrophobicContact CD1-CG1 4.36Å; L42-L274 HydrophobicContact CD2-CD1 4.22Å; L42-L274 HydrophobicContact CD2-CD2 4.26Å |
| 43 | S | 98.8 | Very high | 97.7 | Very high | 0 Ų | 0 | 35.3 Ų | 35.3 | 0% | 0 | 18% | 0.18 | C | C | . | . | B | Isolated β-bridge | trans | -84 | 154.4 | 167.1 | 69.5 | 0 | 0 | 0 | 0 | 111.4 | F38 D39 M40 M129 | F38-S43 PolarHBondContact O-N 3.37Å; F38-S43 PolarHBondContact O-OG 2.77Å; D39-S43 WeakPolarHBondContact CA-OG 3.39Å; M40-S43 CarbonylContact C-O 3.55Å; M40-S43 WeakPolarHBondContact CA-O 3.39Å; M40-S43 WeakPolarHBondContact CE-OG 3.42Å; M40-S43 PolarHBondContact N-OG 2.63Å; S43-M129 CarbonylContact C-O 3.54Å; S43-M129 VanDerWaalsContact CA-O 3.3Å; S43-M129 WeakPolarHBondContact CA-O 3.33Å; S43-M129 WeakPolarHBondContact CB-O 3.33Å |
| 44 | R | 98.8 | Very high | 97.7 | Very high | 39 Ų | 39 | 36.4 Ų | 36.4 | 15% | 0.147 | 19% | 0.187 | C | C | . | . | trans | -70.1 | 149.7 | 177.7 | -64.5 | -172.6 | -173.2 | -140.3 | -1.6 | 110.7 | M40 C52 M129 L130 K131 E272 | M40-R44 WeakPolarHBondContact CE-O 3.49Å; R44-C52 HydrophobicContact CB-CB 4.42Å; R44-C52 VanDerWaalsContact O-CB 3.26Å; R44-C52 WeakPolarHBondContact O-CB 3.48Å; R44-M129 HydrophobicContact CB-CB 4.29Å; R44-M129 HydrophobicContact CG-CB 4.05Å; R44-M129 PolarHBondContact N-O 3.15Å; R44-L130 WeakPolarHBondContact CG-O 3.42Å; R44-L130 PolarHBondContact NE-O 3.07Å; R44-K131 HydrophobicContact CG-CG 4.21Å; R44-E272 WeakPolarHBondContact CA-OE2 3.33Å; R44-E272 WeakPolarHBondContact CB-OE2 3.47Å; R44-E272 HydrophobicContact CG-CB 4.33Å | ||
| 45 | F | 98.2 | Very high | 97.7 | Very high | 30 Ų | 30 | 36.4 Ų | 36.4 | 13% | 0.132 | 19% | 0.187 | C | C | . | . | S | Bend | trans | -80.7 | -39.4 | 169.7 | 177.2 | -98.9 | 0 | 0 | 0 | 111.5 | M40 R51 C52 N250 D251 E272 | M40-F45 HydrophobicContact CB-CD2 4.4Å; M40-F45 HydrophobicContact CG-CD2 4.2Å; M40-F45 HydrophobicContact SD-CB 4.34Å; M40-F45 HydrophobicContact SD-CD2 3.77Å; M40-F45 HydrophobicContact SD-CG 4.46Å; F45-R51 WeakPolarHBondContact O-CA 3.28Å; F45-R51 WeakPolarHBondContact O-CG 3.45Å; F45-C52 PolarHBondContact O-N 2.88Å; F45-N250 HydrophobicContact CB-CB 3.76Å; F45-N250 HydrophobicContact CD1-CB 4.01Å; F45-N250 HydrophobicContact CD2-CB 3.55Å; F45-N250 HydrophobicContact CE1-CB 4.48Å; F45-N250 HydrophobicContact CE2-CB 4.06Å; F45-N250 HydrophobicContact CG-CB 3.51Å; F45-D251 HydrophobicContact CE2-CB 4.28Å; F45-D251 HydrophobicContact CZ-CB 3.81Å; F45-E272 WeakPolarHBondContact CA-OE1 3.34Å; F45-E272 WeakPolarHBondContact CB-OE1 3.47Å; F45-E272 PolarHBondContact N-OE1 3.02Å; F45-E272 VanDerWaalsContact N-OE1 3.09Å; F45-E272 PolarHBondContact N-OE2 3.17Å |
| 46 | S | 96.8 | Very high | 97.7 | Very high | 39 Ų | 39 | 37.2 Ų | 37.2 | 27% | 0.273 | 19% | 0.191 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -148.9 | 158.6 | 179.7 | 70.1 | 0 | 0 | 0 | 0 | 113.1 | K50 E272 | S46-K50 CarbonylContact C-O 3.45Å; S46-K50 VanDerWaalsContact CA-O 3.24Å; S46-K50 WeakPolarHBondContact CA-O 3.37Å; S46-K50 WeakPolarHBondContact CB-O 3.48Å; S46-E272 PolarHBondContact N-OE1 3.21Å; S46-E272 PolarHBondContact OG-OE1 3.31Å |
| 47 | Y | 97.6 | Very high | 97.6 | Very high | 94 Ų | 94 | 38.2 Ų | 38.2 | 37% | 0.369 | 20% | 0.196 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.6 | 126.9 | 172.8 | -175.6 | -110 | 0 | 0 | 0 | 110.1 | G49 K50 M129 | Y47-G49 PolarHBondContact O-N 3.29Å; Y47-K50 PolarHBondContact N-O 3.48Å; Y47-K50 PolarHBondContact O-N 2.7Å; Y47-M129 HydrophobicContact CD1-CE 4.36Å; Y47-M129 HydrophobicContact CD1-SD 3.55Å; Y47-M129 VanDerWaalsContact CD1-SD 3.55Å; Y47-M129 HydrophobicContact CD2-CE 4.05Å; Y47-M129 HydrophobicContact CD2-SD 3.67Å; Y47-M129 HydrophobicContact CE1-CE 4.28Å; Y47-M129 HydrophobicContact CE1-SD 4.05Å; Y47-M129 HydrophobicContact CE2-CE 3.96Å; Y47-M129 HydrophobicContact CE2-SD 4.15Å; Y47-M129 HydrophobicContact CG-CE 4.24Å; Y47-M129 HydrophobicContact CG-SD 3.34Å |
| 48 | K | 95.3 | Very high | 97.6 | Very high | 179 Ų | 179 | 38 Ų | 38 | 78% | 0.778 | 20% | 0.195 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 50.2 | 41.4 | -179.2 | -64.2 | 178.7 | 174.9 | 168.8 | 0 | 113.5 | K50 | K48-K50 VanDerWaalsContact C-N 3.28Å; K48-K50 PolarHBondContact O-N 3.14Å |
| 49 | G | 91.9 | Very high | 97.6 | Very high | 83 Ų | 83 | 38 Ų | 38 | 86% | 0.856 | 20% | 0.195 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 78.9 | 0.6 | 178.4 | 0 | 0 | 0 | 0 | 0 | 115.3 | Y47 | Y47-G49 PolarHBondContact O-N 3.29Š|
| 50 | K | 95.3 | Very high | 97.5 | Very high | 129 Ų | 129 | 37.9 Ų | 37.9 | 56% | 0.561 | 19% | 0.194 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -104 | 134.7 | 172.6 | -173 | -174.1 | 176.9 | -170.2 | 0 | 109.7 | S46 Y47 K48 C52 D127 | S46-K50 CarbonylContact C-O 3.45Å; S46-K50 VanDerWaalsContact CA-O 3.24Å; S46-K50 WeakPolarHBondContact CA-O 3.37Å; S46-K50 WeakPolarHBondContact CB-O 3.48Å; Y47-K50 PolarHBondContact N-O 3.48Å; Y47-K50 PolarHBondContact O-N 2.7Å; K48-K50 VanDerWaalsContact C-N 3.28Å; K48-K50 PolarHBondContact O-N 3.14Å; K50-C52 PolarHBondContact O-N 3.46Å; K50-D127 IonicContact NZ-OD2 2.65Å; K50-D127 PolarHBondContact NZ-OD2 2.91Å |
| 51 | R | 95.8 | Very high | 97.4 | Very high | 92 Ų | 92 | 41.8 Ų | 41.8 | 35% | 0.347 | 22% | 0.215 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -64.9 | 130.3 | 173.9 | -167.3 | 175.7 | 176.9 | -176.3 | 0.7 | 110.2 | F45 | F45-R51 WeakPolarHBondContact O-CA 3.28Å; F45-R51 WeakPolarHBondContact O-CG 3.45Å |
| 52 | C | 97.9 | Very high | 97.3 | Very high | 8 Ų | 8 | 42.4 Ų | 42.4 | 5% | 0.054 | 22% | 0.219 | C | C | . | . | P | Polyproline II helix | trans | -76.2 | 152.7 | 175.2 | -75.2 | 0 | 0 | 0 | 0 | 110.6 | R44 F45 K50 | R44-C52 HydrophobicContact CB-CB 4.42Å; R44-C52 VanDerWaalsContact O-CB 3.26Å; R44-C52 WeakPolarHBondContact O-CB 3.48Å; F45-C52 PolarHBondContact O-N 2.88Å; K50-C52 PolarHBondContact O-N 3.46Å |
| 53 | P | 97.9 | Very high | 97.2 | Very high | 13 Ų | 13 | 50.1 Ų | 50.1 | 8% | 0.084 | 25% | 0.253 | C | S | . | . | P | Polyproline II helix | trans | -76.6 | 141 | -179.1 | 31.8 | -34.4 | 0 | 0 | 0 | 111.6 | N57 I58 D127 V128 | P53-N57 HydrophobicContact CB-CB 3.74Å; P53-I58 HydrophobicContact CB-CG1 4.07Å; P53-I58 HydrophobicContact CG-CG1 4.06Å; P53-D127 VanDerWaalsContact CD-O 3.31Å; P53-D127 WeakPolarHBondContact CD-O 3.28Å; P53-D127 HydrophobicContact CG-CB 4.37Å; P53-V128 HydrophobicContact CG-CB 4.22Å |
| 54 | T | 98.3 | Very high | 97.1 | Very high | 24 Ų | 24 | 53.4 Ų | 53.4 | 15% | 0.147 | 27% | 0.27 | C | S | . | . | P | Polyproline II helix | trans | -71.9 | 170.6 | 158.6 | 65.1 | 0 | 0 | 0 | 0 | 111 | D39 M40 H56 N57 I58 | D39-T54 HydrophobicContact CB-CG2 4.24Å; D39-T54 WeakPolarHBondContact OD1-CA 3.5Å; M40-T54 HydrophobicContact CE-CG2 3.79Å; M40-T54 HydrophobicContact SD-CG2 4.18Å; T54-H56 VanDerWaalsContact C-N 3.25Å; T54-H56 PolarHBondContact O-N 3.21Å; T54-H56 PolarHBondContact OG1-N 3.44Å; T54-N57 CarbonylContact O-C 3.58Å; T54-N57 WeakPolarHBondContact O-CA 3.48Å; T54-N57 PolarHBondContact O-N 3.37Å; T54-N57 PolarHBondContact OG1-N 2.98Å; T54-N57 VanDerWaalsContact OG1-N 3.17Å; T54-N57 PolarHBondContact OG1-OD1 2.85Å; T54-I58 WeakPolarHBondContact O-CG1 3.29Å; T54-I58 PolarHBondContact O-N 3.24Å |
| 55 | C | 98.6 | Very high | 97.1 | Very high | 0 Ų | 0 | 51.8 Ų | 51.8 | 0% | 0 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -51.7 | -41.4 | 171.4 | -76.8 | 0 | 0 | 0 | 0 | 113.3 | F38 D39 I155 V158 | F38-C55 WeakPolarHBondContact CE1-SG 3.35Å; D39-C55 PolarHBondContact OD1-N 2.83Å; D39-C55 PolarHBondContact OD2-N 2.83Å; C55-I155 HydrophobicContact CB-CB 4.31Å; C55-V158 HydrophobicContact CB-CB 4.33Å; C55-V158 HydrophobicContact CB-CG1 4.14Å |
| 56 | H | 98.3 | Very high | 97.1 | Very high | 18 Ų | 18 | 53.9 Ų | 53.9 | 8% | 0.083 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -64.8 | -45.6 | 172.5 | -73.2 | 75.2 | 0 | 0 | 0 | 111.6 | T54 I58 I59 D60 Y102 H106 | T54-H56 VanDerWaalsContact C-N 3.25Å; T54-H56 PolarHBondContact O-N 3.21Å; T54-H56 PolarHBondContact OG1-N 3.44Å; H56-I58 PolarHBondContact O-N 3.35Å; H56-I59 WeakPolarHBondContact O-CA 3.35Å; H56-I59 PolarHBondContact O-N 2.92Å; H56-D60 PolarHBondContact O-N 3.39Å; H56-Y102 AromaticContact CE1-CE1 3.68Å; H56-Y102 AromaticContact NE2-CE1 3.83Å; H56-H106 AromaticContact CE1-NE2 3.96Å; H56-H106 AromaticContact NE2-CD2 3.63Å; H56-H106 AromaticContact NE2-NE2 3.09Å; H56-H106 PolarHBondContact NE2-NE2 2.93Å |
| 57 | N | 97.8 | Very high | 97.1 | Very high | 20 Ų | 20 | 57.7 Ų | 57.7 | 11% | 0.107 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -67.3 | -21.7 | -178.3 | -65.5 | 162.2 | 0 | 0 | 0 | 113.4 | P53 T54 I59 D60 N61 K77 | P53-N57 HydrophobicContact CB-CB 3.74Å; T54-N57 CarbonylContact O-C 3.58Å; T54-N57 WeakPolarHBondContact O-CA 3.48Å; T54-N57 PolarHBondContact O-N 3.37Å; T54-N57 PolarHBondContact OG1-N 2.98Å; T54-N57 VanDerWaalsContact OG1-N 3.17Å; T54-N57 PolarHBondContact OG1-OD1 2.85Å; N57-I59 VanDerWaalsContact C-N 3.33Å; N57-D60 PolarHBondContact ND2-OD2 2.8Å; N57-N61 WeakPolarHBondContact O-CB 3.38Å; N57-N61 VanDerWaalsContact O-CG 3.3Å; N57-N61 PolarHBondContact O-N 2.83Å; N57-N61 PolarHBondContact O-ND2 3.24Å; N57-K77 PolarHBondContact OD1-NZ 2.79Å |
| 58 | I | 98.7 | Very high | 97.1 | Very high | 4 Ų | 4 | 59.1 Ų | 59.1 | 2% | 0.021 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -61 | -45.4 | 168.5 | -69.3 | 169.8 | 0 | 0 | 0 | 110 | P53 T54 H56 C62 I122 V123 V128 V158 V162 | P53-I58 HydrophobicContact CB-CG1 4.07Å; P53-I58 HydrophobicContact CG-CG1 4.06Å; T54-I58 WeakPolarHBondContact O-CG1 3.29Å; T54-I58 PolarHBondContact O-N 3.24Å; H56-I58 PolarHBondContact O-N 3.35Å; I58-C62 PolarHBondContact O-N 2.95Å; I58-I122 HydrophobicContact CG2-CG2 3.77Å; I58-V123 HydrophobicContact CG2-CG2 4.19Å; I58-V128 HydrophobicContact CD1-CB 3.75Å; I58-V128 HydrophobicContact CD1-CG1 4.24Å; I58-V128 HydrophobicContact CD1-CG2 3.85Å; I58-V128 HydrophobicContact CG1-CB 4.28Å; I58-V158 HydrophobicContact CB-CG1 4.04Å; I58-V158 HydrophobicContact CD1-CG1 3.68Å; I58-V158 HydrophobicContact CG1-CG1 4.46Å; I58-V158 HydrophobicContact CG2-CG1 3.99Å; I58-V162 HydrophobicContact CD1-CG2 3.86Å |
| 59 | I | 98.3 | Very high | 97.2 | Very high | 0 Ų | 0 | 50.8 Ų | 50.8 | 0% | 0 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -72 | -50.4 | 177.3 | -58.4 | -56.8 | 0 | 0 | 0 | 111.1 | H56 N57 N61 C62 V65 L109 L114 L119 I122 I155 V158 M180 | H56-I59 WeakPolarHBondContact O-CA 3.35Å; H56-I59 PolarHBondContact O-N 2.92Å; N57-I59 VanDerWaalsContact C-N 3.33Å; I59-N61 PolarHBondContact O-N 3.15Å; I59-C62 PolarHBondContact O-N 3.46Å; I59-C62 PolarHBondContact O-SG 3.18Å; I59-V65 HydrophobicContact CG2-CG2 4.24Å; I59-V65 WeakPolarHBondContact O-CG2 3.35Å; I59-L109 HydrophobicContact CB-CD1 4.48Å; I59-L109 HydrophobicContact CG2-CD1 4.04Å; I59-L109 HydrophobicContact CG2-CD2 3.73Å; I59-L109 HydrophobicContact CG2-CG 4.42Å; I59-L114 HydrophobicContact CG2-CD1 3.36Å; I59-L119 HydrophobicContact CD1-CD2 3.87Å; I59-I122 HydrophobicContact CD1-CG2 4.06Å; I59-I155 HydrophobicContact CG1-CD1 3.94Å; I59-V158 HydrophobicContact CD1-CG2 3.62Å; I59-V158 HydrophobicContact CG1-CG2 3.77Å; I59-M180 HydrophobicContact CD1-CE 4.45Å; I59-M180 HydrophobicContact CG1-CE 4.25Å |
| 60 | D | 96.8 | Very high | 97.5 | Very high | 15 Ų | 15 | 50 Ų | 50 | 8% | 0.08 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -51.8 | -35.9 | -179.6 | -56.4 | -23.3 | 0 | 0 | 0 | 111 | H56 N57 R70 L73 | H56-D60 PolarHBondContact O-N 3.39Å; N57-D60 PolarHBondContact ND2-OD2 2.8Å; D60-R70 VanDerWaalsContact O-CZ 3.3Å; D60-R70 PolarHBondContact O-NH2 2.58Å; D60-L73 HydrophobicContact CB-CD1 4.15Å |
| 61 | N | 95.8 | Very high | 97.6 | Very high | 90 Ų | 90 | 50.5 Ų | 50.5 | 48% | 0.481 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -90.5 | -8.8 | -176.3 | -67.2 | -49 | 0 | 0 | 0 | 115.5 | N57 I59 R70 | N57-N61 WeakPolarHBondContact O-CB 3.38Å; N57-N61 VanDerWaalsContact O-CG 3.3Å; N57-N61 PolarHBondContact O-N 2.83Å; N57-N61 PolarHBondContact O-ND2 3.24Å; I59-N61 PolarHBondContact O-N 3.15Å; N61-R70 PolarHBondContact O-NH1 3.09Å; N61-R70 PolarHBondContact O-NH2 2.86Å; N61-R70 PolarHBondContact OD1-NH1 3.32Å |
| 62 | C | 97.2 | Very high | 97.7 | Very high | 12 Ų | 12 | 50 Ų | 50 | 8% | 0.081 | 25% | 0.245 | C | C | . | . | S | Bend | trans | -71.5 | 164.9 | -173.8 | 83.1 | 0 | 0 | 0 | 0 | 112.9 | I58 I59 L64 V65 R70 I122 | I58-C62 PolarHBondContact O-N 2.95Å; I59-C62 PolarHBondContact O-N 3.46Å; I59-C62 PolarHBondContact O-SG 3.18Å; C62-L64 PolarHBondContact O-N 3.28Å; C62-L64 PolarHBondContact SG-N 3.48Å; C62-V65 PolarHBondContact O-N 3.26Å; C62-R70 PolarHBondContact O-NH2 2.86Å; C62-I122 HydrophobicContact CB-CB 4.33Å; C62-I122 HydrophobicContact CB-CD1 4.42Å; C62-I122 HydrophobicContact CB-CG1 3.99Å; C62-I122 HydrophobicContact CB-CG2 3.54Å |
| 63 | K | 96.8 | Very high | 97.7 | Very high | 163 Ų | 163 | 50 Ų | 50 | 71% | 0.709 | 24% | 0.244 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -66.7 | -16.7 | -178.4 | -64.9 | 171.7 | -176.2 | 158 | 0 | 114 | E125 | K63-E125 WeakPolarHBondContact CE-OE2 3.3Å; K63-E125 IonicContact NZ-OE1 3.34Å; K63-E125 PolarHBondContact NZ-OE1 3.34Å; K63-E125 IonicContact NZ-OE2 3.01Å; K63-E125 PolarHBondContact NZ-OE2 2.72Å |
| 64 | L | 97.3 | Very high | 97.5 | Very high | 70 Ų | 70 | 53.8 Ų | 53.8 | 37% | 0.366 | 26% | 0.264 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -85.4 | -14.1 | 179.9 | -56.2 | -173.5 | 0 | 0 | 0 | 113 | C62 L114 P115 K118 I122 | C62-L64 PolarHBondContact O-N 3.28Å; C62-L64 PolarHBondContact SG-N 3.48Å; L64-L114 HydrophobicContact CB-CD2 3.77Å; L64-L114 HydrophobicContact CD1-CD2 4.33Å; L64-P115 HydrophobicContact CD1-CG 4.04Å; L64-K118 HydrophobicContact CD1-CB 3.94Å; L64-K118 HydrophobicContact CD1-CG 4.23Å; L64-I122 HydrophobicContact CD1-CD1 3.91Å; L64-I122 HydrophobicContact CG-CD1 4.48Å |
| 65 | V | 97.9 | Very high | 97.5 | Very high | 4 Ų | 4 | 58.7 Ų | 58.7 | 2% | 0.024 | 29% | 0.285 | C | S | . | . | S | Bend | trans | -94.3 | 117.1 | 175.9 | 177.9 | 0 | 0 | 0 | 0 | 109.3 | I59 C62 C69 R70 L73 Q112 L114 | I59-V65 HydrophobicContact CG2-CG2 4.24Å; I59-V65 WeakPolarHBondContact O-CG2 3.35Å; C62-V65 PolarHBondContact O-N 3.26Å; V65-C69 HydrophobicContact CG1-CB 3.84Å; V65-R70 HydrophobicContact CG1-CB 4.46Å; V65-R70 PolarHBondContact O-NH2 3.44Å; V65-R70 VanDerWaalsContact O-NH2 3.08Å; V65-L73 HydrophobicContact CG1-CD1 4.12Å; V65-Q112 HydrophobicContact CG1-CG 4.41Å; V65-Q112 HydrophobicContact CG2-CG 4.27Å; V65-L114 HydrophobicContact CG2-CD2 4.39Å |
| 66 | T | 98.1 | Very high | 97.4 | Very high | 75 Ų | 75 | 59.9 Ų | 59.9 | 46% | 0.46 | 29% | 0.291 | S | S | . | . | trans | -59.5 | 151.7 | 177.9 | 59.2 | 0 | 0 | 0 | 0 | 112.1 | E68 C69 R70 Q112 | T66-E68 PolarHBondContact O-N 2.9Å; T66-C69 PolarHBondContact O-N 2.9Å; T66-C69 VanDerWaalsContact O-N 3.1Å; T66-C69 VanDerWaalsContact OG1-CB 3.29Å; T66-C69 WeakPolarHBondContact OG1-CB 3.44Å; T66-C69 PolarHBondContact OG1-N 2.78Å; T66-R70 PolarHBondContact O-N 3.4Å; T66-Q112 PolarHBondContact OG1-OE1 2.87Å | ||
| 67 | D | 97.6 | Very high | 97.2 | Very high | 118 Ų | 118 | 61.2 Ų | 61.2 | 63% | 0.631 | 30% | 0.297 | S | S | * | . | H | α-helix | trans | -59.5 | -33 | 177.1 | -70.3 | -21.3 | 0 | 0 | 0 | 112.8 | R70 K71 | D67-R70 PolarHBondContact O-N 3.39Å; D67-K71 VanDerWaalsContact O-CG 3.32Å; D67-K71 WeakPolarHBondContact O-CG 3.47Å; D67-K71 PolarHBondContact O-N 2.78Å |
| 68 | E | 97.9 | Very high | 97 | Very high | 124 Ų | 124 | 66.2 Ų | 66.2 | 58% | 0.579 | 32% | 0.32 | S | S | * | . | H | α-helix | trans | -65.5 | -46.2 | 175.1 | -167.8 | -166.3 | 147.6 | 0 | 0 | 111.3 | T66 R70 K71 K72 | T66-E68 PolarHBondContact O-N 2.9Å; E68-R70 VanDerWaalsContact C-N 3.33Å; E68-R70 PolarHBondContact O-N 2.83Å; E68-K71 PolarHBondContact O-N 2.85Å; E68-K72 PolarHBondContact O-N 3.39Å; E68-K72 VanDerWaalsContact O-N 3.15Å; E68-K72 VanDerWaalsContact OE1-CE 3.27Å; E68-K72 WeakPolarHBondContact OE1-CE 3.31Å; E68-K72 IonicContact OE1-NZ 3.13Å; E68-K72 PolarHBondContact OE1-NZ 3.36Å |
| 69 | C | 97.9 | Very high | 96.8 | Very high | 4 Ų | 4 | 71.1 Ų | 71.1 | 3% | 0.027 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -62.7 | -42.6 | 176.3 | -173.2 | 0 | 0 | 0 | 0 | 111 | V65 T66 K71 K72 L73 Q112 | V65-C69 HydrophobicContact CG1-CB 3.84Å; T66-C69 PolarHBondContact O-N 2.9Å; T66-C69 VanDerWaalsContact O-N 3.1Å; T66-C69 VanDerWaalsContact OG1-CB 3.29Å; T66-C69 WeakPolarHBondContact OG1-CB 3.44Å; T66-C69 PolarHBondContact OG1-N 2.78Å; C69-K71 VanDerWaalsContact C-N 3.31Å; C69-K71 PolarHBondContact O-N 3.01Å; C69-K72 WeakPolarHBondContact O-CB 3.38Å; C69-K72 PolarHBondContact O-N 3.1Å; C69-L73 WeakPolarHBondContact O-CG 3.42Å; C69-L73 PolarHBondContact O-N 2.82Å; C69-Q112 HydrophobicContact CB-CG 4.25Å |
| 70 | R | 97.6 | Very high | 96.7 | Very high | 66 Ų | 66 | 71.1 Ų | 71.1 | 25% | 0.249 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -58.9 | -40.4 | 176.5 | -164.7 | -178.9 | -50.6 | -120 | -16.4 | 112.7 | D60 N61 C62 V65 T66 D67 E68 L73 L74 | D60-R70 VanDerWaalsContact O-CZ 3.3Å; D60-R70 PolarHBondContact O-NH2 2.58Å; N61-R70 PolarHBondContact O-NH1 3.09Å; N61-R70 PolarHBondContact O-NH2 2.86Å; N61-R70 PolarHBondContact OD1-NH1 3.32Å; C62-R70 PolarHBondContact O-NH2 2.86Å; V65-R70 HydrophobicContact CG1-CB 4.46Å; V65-R70 PolarHBondContact O-NH2 3.44Å; V65-R70 VanDerWaalsContact O-NH2 3.08Å; T66-R70 PolarHBondContact O-N 3.4Å; D67-R70 PolarHBondContact O-N 3.39Å; E68-R70 VanDerWaalsContact C-N 3.33Å; E68-R70 PolarHBondContact O-N 2.83Å; R70-L73 PolarHBondContact O-N 2.84Å; R70-L74 WeakPolarHBondContact O-CB 3.47Å; R70-L74 PolarHBondContact O-N 2.9Å |
| 71 | K | 97.4 | Very high | 96.4 | Very high | 141 Ų | 141 | 73 Ų | 73 | 61% | 0.613 | 35% | 0.347 | S | S | * | . | H | α-helix | trans | -62 | -43.2 | 173.2 | -74.3 | 170.9 | -176.3 | 176.5 | 0 | 111.8 | D67 E68 C69 L74 Q75 | D67-K71 VanDerWaalsContact O-CG 3.32Å; D67-K71 WeakPolarHBondContact O-CG 3.47Å; D67-K71 PolarHBondContact O-N 2.78Å; E68-K71 PolarHBondContact O-N 2.85Å; C69-K71 VanDerWaalsContact C-N 3.31Å; C69-K71 PolarHBondContact O-N 3.01Å; K71-L74 PolarHBondContact O-N 2.8Å; K71-Q75 VanDerWaalsContact O-CG 3.29Å; K71-Q75 WeakPolarHBondContact O-CG 3.42Å; K71-Q75 PolarHBondContact O-N 3.42Å |
| 72 | K | 98.1 | Very high | 96.2 | Very high | 80 Ų | 80 | 71.3 Ų | 71.3 | 35% | 0.348 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -63.7 | -44 | 176.3 | -66.9 | 173.3 | -173.6 | 167 | 0 | 111.4 | E68 C69 Q75 L76 L108 | E68-K72 PolarHBondContact O-N 3.39Å; E68-K72 VanDerWaalsContact O-N 3.15Å; E68-K72 VanDerWaalsContact OE1-CE 3.27Å; E68-K72 WeakPolarHBondContact OE1-CE 3.31Å; E68-K72 IonicContact OE1-NZ 3.13Å; E68-K72 PolarHBondContact OE1-NZ 3.36Å; C69-K72 WeakPolarHBondContact O-CB 3.38Å; C69-K72 PolarHBondContact O-N 3.1Å; K72-Q75 PolarHBondContact O-N 3.46Å; K72-L76 WeakPolarHBondContact O-CG 3.39Å; K72-L76 PolarHBondContact O-N 2.82Å; K72-L108 HydrophobicContact CB-CD1 3.76Å; K72-L108 HydrophobicContact CD-CD2 4.12Å |
| 73 | L | 97.3 | Very high | 96 | Very high | 8 Ų | 8 | 72 Ų | 72 | 4% | 0.042 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -62.3 | -42.2 | 176.7 | -71.4 | 162.8 | 0 | 0 | 0 | 111.8 | D60 V65 C69 R70 L76 K77 L108 L109 | D60-L73 HydrophobicContact CB-CD1 4.15Å; V65-L73 HydrophobicContact CG1-CD1 4.12Å; C69-L73 WeakPolarHBondContact O-CG 3.42Å; C69-L73 PolarHBondContact O-N 2.82Å; R70-L73 PolarHBondContact O-N 2.84Å; L73-L76 PolarHBondContact O-N 3.02Å; L73-K77 PolarHBondContact O-N 2.91Å; L73-L108 HydrophobicContact CD2-CB 4.14Å; L73-L108 HydrophobicContact CD2-CD1 3.92Å; L73-L108 HydrophobicContact CG-CD1 4.05Å; L73-L109 HydrophobicContact CD1-CD2 4Å; L73-L109 HydrophobicContact CD2-CD2 4.47Å |
| 74 | L | 94.7 | Very high | 95.7 | Very high | 94 Ų | 94 | 66.3 Ų | 66.3 | 49% | 0.492 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -62.7 | -45.1 | 175.2 | -178 | 61.9 | 0 | 0 | 0 | 111.7 | R70 K71 L76 K77 E78 | R70-L74 WeakPolarHBondContact O-CB 3.47Å; R70-L74 PolarHBondContact O-N 2.9Å; K71-L74 PolarHBondContact O-N 2.8Å; L74-L76 VanDerWaalsContact C-N 3.32Å; L74-L76 PolarHBondContact O-N 3.33Å; L74-K77 WeakPolarHBondContact O-CB 3.42Å; L74-K77 PolarHBondContact O-N 2.84Å; L74-K77 VanDerWaalsContact O-N 3.14Å; L74-E78 HydrophobicContact CD1-CG 4.41Å; L74-E78 WeakPolarHBondContact O-CG 3.47Å; L74-E78 PolarHBondContact O-N 3.36Å |
| 75 | Q | 96.9 | Very high | 95 | Very high | 126 Ų | 126 | 64 Ų | 64 | 59% | 0.589 | 31% | 0.313 | S | S | * | . | H | α-helix | trans | -61 | -39.8 | 175.9 | -73.6 | 171.2 | -8.4 | 0 | 0 | 112.4 | K71 K72 K79 | K71-Q75 VanDerWaalsContact O-CG 3.29Å; K71-Q75 WeakPolarHBondContact O-CG 3.42Å; K71-Q75 PolarHBondContact O-N 3.42Å; K72-Q75 PolarHBondContact O-N 3.46Å; Q75-K79 WeakPolarHBondContact O-CB 3.36Å; Q75-K79 PolarHBondContact O-N 3.07Å; Q75-K79 VanDerWaalsContact O-N 3.16Å |
| 76 | L | 97.3 | Very high | 94.4 | Very high | 25 Ų | 25 | 66.2 Ų | 66.2 | 13% | 0.131 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -61.6 | -49.2 | 172.4 | -69.3 | 174.7 | 0 | 0 | 0 | 110.3 | K72 L73 L74 E78 K79 Y80 K104 L108 | K72-L76 WeakPolarHBondContact O-CG 3.39Å; K72-L76 PolarHBondContact O-N 2.82Å; L73-L76 PolarHBondContact O-N 3.02Å; L74-L76 VanDerWaalsContact C-N 3.32Å; L74-L76 PolarHBondContact O-N 3.33Å; L76-E78 PolarHBondContact O-N 3.32Å; L76-K79 PolarHBondContact O-N 2.71Å; L76-Y80 HydrophobicContact CB-CD2 4.29Å; L76-Y80 HydrophobicContact CD2-CD2 4.22Å; L76-Y80 HydrophobicContact CD2-CE2 3.69Å; L76-Y80 WeakPolarHBondContact O-CD2 3.33Å; L76-Y80 PolarHBondContact O-N 2.77Å; L76-K104 HydrophobicContact CD1-CB 3.77Å; L76-K104 HydrophobicContact CD2-CB 4.04Å; L76-K104 HydrophobicContact CD2-CD 3.74Å; L76-L108 HydrophobicContact CD1-CD1 3.63Å |
| 77 | K | 94 | Very high | 93.6 | Very high | 46 Ų | 46 | 67.5 Ų | 67.5 | 20% | 0.2 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -57.1 | -50.1 | 178.9 | -179.8 | 177.6 | -180 | 173.8 | 0 | 111.6 | N57 L73 L74 K79 Y80 Y81 W101 | N57-K77 PolarHBondContact OD1-NZ 2.79Å; L73-K77 PolarHBondContact O-N 2.91Å; L74-K77 WeakPolarHBondContact O-CB 3.42Å; L74-K77 PolarHBondContact O-N 2.84Å; L74-K77 VanDerWaalsContact O-N 3.14Å; K77-K79 VanDerWaalsContact C-N 3.31Å; K77-K79 PolarHBondContact O-N 2.85Å; K77-Y80 PolarHBondContact O-N 2.97Å; K77-Y81 WeakPolarHBondContact O-CA 3.41Å; K77-Y81 WeakPolarHBondContact O-CB 3.29Å; K77-Y81 PolarHBondContact O-N 3.09Å; K77-W101 HydrophobicContact CB-CZ2 4.07Å; K77-W101 HydrophobicContact CG-CZ2 4.05Å |
| 78 | E | 92.9 | Very high | 93.2 | Very high | 126 Ų | 126 | 67.8 Ų | 67.8 | 59% | 0.589 | 34% | 0.34 | S | S | * | . | H | α-helix | trans | -56.9 | -44.2 | 179.3 | -72.7 | 175 | 166.5 | 0 | 0 | 112 | L74 L76 A82 | L74-E78 HydrophobicContact CD1-CG 4.41Å; L74-E78 WeakPolarHBondContact O-CG 3.47Å; L74-E78 PolarHBondContact O-N 3.36Å; L76-E78 PolarHBondContact O-N 3.32Å; E78-A82 WeakPolarHBondContact O-CB 3.22Å |
| 79 | K | 95.8 | Very high | 92.8 | Very high | 106 Ų | 106 | 64.3 Ų | 64.3 | 46% | 0.461 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -66.5 | -54.4 | 178.2 | -179.3 | -174.5 | 175.9 | -167.9 | 0 | 112.5 | Q75 L76 K77 | Q75-K79 WeakPolarHBondContact O-CB 3.36Å; Q75-K79 PolarHBondContact O-N 3.07Å; Q75-K79 VanDerWaalsContact O-N 3.16Å; L76-K79 PolarHBondContact O-N 2.71Å; K77-K79 VanDerWaalsContact C-N 3.31Å; K77-K79 PolarHBondContact O-N 2.85Å |
| 80 | Y | 96.1 | Very high | 92.4 | Very high | 0 Ų | 0 | 67.2 Ų | 67.2 | 0% | 0 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -83.4 | -31.1 | -168.1 | -72 | -76.5 | 0 | 0 | 0 | 112.9 | L76 K77 A82 I83 E84 Y97 E100 W101 K104 | L76-Y80 HydrophobicContact CB-CD2 4.29Å; L76-Y80 HydrophobicContact CD2-CD2 4.22Å; L76-Y80 HydrophobicContact CD2-CE2 3.69Å; L76-Y80 WeakPolarHBondContact O-CD2 3.33Å; L76-Y80 PolarHBondContact O-N 2.77Å; K77-Y80 PolarHBondContact O-N 2.97Å; Y80-A82 VanDerWaalsContact C-N 3.29Å; Y80-A82 PolarHBondContact O-N 3.45Å; Y80-I83 HydrophobicContact CD1-CD1 4.35Å; Y80-I83 WeakPolarHBondContact O-CB 3.34Å; Y80-I83 PolarHBondContact O-N 3.45Å; Y80-I83 VanDerWaalsContact O-N 3.09Å; Y80-E84 PolarHBondContact O-N 2.95Å; Y80-Y97 VanDerWaalsContact CD1-O 3.29Å; Y80-Y97 WeakPolarHBondContact CD1-O 3.48Å; Y80-Y97 HydrophobicContact CE1-CD1 4.23Å; Y80-Y97 WeakPolarHBondContact CE1-O 3.38Å; Y80-E100 HydrophobicContact CE1-CB 4.14Å; Y80-E100 HydrophobicContact CE1-CG 4.35Å; Y80-E100 WeakPolarHBondContact CE1-OE2 3.38Å; Y80-E100 WeakPolarHBondContact OH-CG 3.44Å; Y80-E100 PolarHBondContact OH-OE1 3.16Å; Y80-E100 VanDerWaalsContact OH-OE1 3.06Å; Y80-E100 PolarHBondContact OH-OE2 2.98Å; Y80-W101 HydrophobicContact CD1-CB 3.71Å; Y80-W101 HydrophobicContact CD1-CG 4.31Å; Y80-W101 HydrophobicContact CD2-CB 3.67Å; Y80-W101 AromaticContact CD2-CD1 3.57Å; Y80-W101 HydrophobicContact CD2-CD2 4.4Å; Y80-W101 AromaticContact CD2-CG 3.6Å; Y80-W101 HydrophobicContact CD2-CG 3.6Å; Y80-W101 HydrophobicContact CE1-CB 4.27Å; Y80-W101 HydrophobicContact CE2-CB 4.29Å; Y80-W101 HydrophobicContact CG-CB 3.4Å; Y80-W101 AromaticContact CG-CD1 3.96Å; Y80-W101 HydrophobicContact CG-CD2 4.05Å; Y80-W101 AromaticContact CG-CG 3.51Å; Y80-W101 HydrophobicContact CG-CG 3.51Å; Y80-K104 HydrophobicContact CE2-CD 4.43Å; Y80-K104 PolarHBondContact OH-NZ 2.95Å |
| 81 | Y | 90.9 | Very high | 92.1 | Very high | 55 Ų | 55 | 67 Ų | 67 | 22% | 0.216 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -61.8 | -41.5 | 172.9 | -173 | -114 | 0 | 0 | 0 | 110.5 | K77 I83 E84 V85 W101 | K77-Y81 WeakPolarHBondContact O-CA 3.41Å; K77-Y81 WeakPolarHBondContact O-CB 3.29Å; K77-Y81 PolarHBondContact O-N 3.09Å; Y81-I83 PolarHBondContact O-N 3.44Å; Y81-E84 WeakPolarHBondContact CD2-OE2 3.25Å; Y81-E84 WeakPolarHBondContact O-CB 3.44Å; Y81-E84 PolarHBondContact O-N 3.32Å; Y81-V85 HydrophobicContact CD1-CG1 4.16Å; Y81-V85 HydrophobicContact CD2-CG1 3.94Å; Y81-V85 HydrophobicContact CE1-CG1 3.79Å; Y81-V85 HydrophobicContact CE2-CG1 3.54Å; Y81-V85 HydrophobicContact CG-CG1 4.23Å; Y81-V85 VanDerWaalsContact CZ-CG1 3.45Å; Y81-V85 WeakPolarHBondContact O-CB 3.41Å; Y81-V85 WeakPolarHBondContact O-CG1 3.3Å; Y81-V85 WeakPolarHBondContact O-CG2 3.37Å; Y81-V85 PolarHBondContact O-N 3.31Å; Y81-W101 HydrophobicContact CD2-CH2 4.49Å |
| 82 | A | 90.3 | Very high | 91.8 | Very high | 55 Ų | 55 | 67 Ų | 67 | 46% | 0.455 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -57.1 | -29.9 | 174.4 | 0 | 0 | 0 | 0 | 0 | 113.4 | E78 Y80 V85 D86 | E78-A82 WeakPolarHBondContact O-CB 3.22Å; Y80-A82 VanDerWaalsContact C-N 3.29Å; Y80-A82 PolarHBondContact O-N 3.45Å; A82-V85 WeakPolarHBondContact O-CG2 3.43Å; A82-D86 PolarHBondContact O-N 3.1Å |
| 83 | I | 93.3 | Very high | 91.7 | Very high | 27 Ų | 27 | 67.8 Ų | 67.8 | 14% | 0.138 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -82.2 | -44.8 | 175.9 | -62 | 169.2 | 0 | 0 | 0 | 111 | Y80 Y81 V85 D86 L89 K94 Y97 | Y80-I83 HydrophobicContact CD1-CD1 4.35Å; Y80-I83 WeakPolarHBondContact O-CB 3.34Å; Y80-I83 PolarHBondContact O-N 3.45Å; Y80-I83 VanDerWaalsContact O-N 3.09Å; Y81-I83 PolarHBondContact O-N 3.44Å; I83-V85 PolarHBondContact O-N 3.4Å; I83-D86 WeakPolarHBondContact O-CB 3.39Å; I83-D86 PolarHBondContact O-N 3.3Å; I83-L89 HydrophobicContact CG2-CD1 3.82Å; I83-K94 HydrophobicContact CG2-CG 4.27Å; I83-K94 WeakPolarHBondContact O-CD 3.46Å; I83-K94 WeakPolarHBondContact O-CE 3.42Å; I83-Y97 HydrophobicContact CD1-CD1 3.7Å; I83-Y97 HydrophobicContact CD1-CE1 4.07Å; I83-Y97 HydrophobicContact CD1-CG 4.02Å; I83-Y97 HydrophobicContact CG2-CD2 3.84Å; I83-Y97 HydrophobicContact CG2-CG 3.88Å |
| 84 | E | 90.1 | Very high | 91.5 | Very high | 43 Ų | 43 | 68.3 Ų | 68.3 | 20% | 0.201 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -52.4 | -43 | 176.4 | -175.5 | -170.3 | 161.9 | 0 | 0 | 110.9 | Y80 Y81 K94 M98 W101 V198 F199 | Y80-E84 PolarHBondContact O-N 2.95Å; Y81-E84 WeakPolarHBondContact CD2-OE2 3.25Å; Y81-E84 WeakPolarHBondContact O-CB 3.44Å; Y81-E84 PolarHBondContact O-N 3.32Å; E84-K94 PolarHBondContact O-NZ 2.65Å; E84-M98 HydrophobicContact CB-CE 3.84Å; E84-M98 HydrophobicContact CB-SD 3.9Å; E84-M98 HydrophobicContact CG-SD 3.97Å; E84-W101 VanDerWaalsContact OE2-CZ3 3.29Å; E84-W101 WeakPolarHBondContact OE2-CZ3 3.35Å; E84-V198 HydrophobicContact CG-CG1 4.12Å; E84-F199 HydrophobicContact CG-CE2 4.32Å; E84-F199 HydrophobicContact CG-CZ 4.07Å |
| 85 | V | 83.9 | Confident | 91.6 | Very high | 22 Ų | 22 | 67.7 Ų | 67.7 | 13% | 0.133 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -84.3 | -16.2 | -174.6 | -67 | 0 | 0 | 0 | 0 | 114.1 | Y81 A82 I83 R252 | Y81-V85 HydrophobicContact CD1-CG1 4.16Å; Y81-V85 HydrophobicContact CD2-CG1 3.94Å; Y81-V85 HydrophobicContact CE1-CG1 3.79Å; Y81-V85 HydrophobicContact CE2-CG1 3.54Å; Y81-V85 HydrophobicContact CG-CG1 4.23Å; Y81-V85 VanDerWaalsContact CZ-CG1 3.45Å; Y81-V85 WeakPolarHBondContact O-CB 3.41Å; Y81-V85 WeakPolarHBondContact O-CG1 3.3Å; Y81-V85 WeakPolarHBondContact O-CG2 3.37Å; Y81-V85 PolarHBondContact O-N 3.31Å; A82-V85 WeakPolarHBondContact O-CG2 3.43Å; I83-V85 PolarHBondContact O-N 3.4Å; V85-R252 VanDerWaalsContact CA-NH2 3.28Å; V85-R252 VanDerWaalsContact CG1-NH2 3.27Å; V85-R252 PolarHBondContact O-NH1 3.02Å; V85-R252 PolarHBondContact O-NH2 3.25Å |
| 86 | D | 84.9 | Confident | 91.6 | Very high | 50 Ų | 50 | 65.3 Ų | 65.3 | 27% | 0.267 | 35% | 0.345 | S | S | . | . | trans | -55.9 | 118.5 | -172.7 | -167.6 | -40 | 0 | 0 | 0 | 112.4 | A82 I83 V88 L89 K94 | A82-D86 PolarHBondContact O-N 3.1Å; I83-D86 WeakPolarHBondContact O-CB 3.39Å; I83-D86 PolarHBondContact O-N 3.3Å; D86-V88 PolarHBondContact O-N 3.31Å; D86-V88 WeakPolarHBondContact OD1-CA 3.38Å; D86-V88 VanDerWaalsContact OD1-CB 3.24Å; D86-V88 WeakPolarHBondContact OD1-CB 3.16Å; D86-V88 PolarHBondContact OD1-N 3.22Å; D86-L89 HydrophobicContact CB-CB 4.36Å; D86-L89 HydrophobicContact CB-CD1 4.1Å; D86-L89 HydrophobicContact CB-CG 4.22Å; D86-L89 PolarHBondContact OD1-N 3.3Å; D86-K94 WeakPolarHBondContact O-CE 3.24Å; D86-K94 PolarHBondContact O-NZ 2.95Å | ||
| 87 | P | 81.3 | Confident | 91.6 | Very high | 102 Ų | 102 | 68.8 Ų | 68.8 | 66% | 0.662 | 36% | 0.357 | S | S | * | . | S | Bend | trans | -72.9 | -15.8 | -178.7 | 30.6 | -35.3 | 0 | 0 | 0 | 113.8 | ||
| 88 | V | 87.7 | Confident | 91.8 | Very high | 124 Ų | 124 | 66.6 Ų | 66.6 | 75% | 0.752 | 35% | 0.348 | S | S | * | . | S | Bend | trans | -82.2 | -40.7 | -178.1 | -176.8 | 0 | 0 | 0 | 0 | 111.2 | D86 | D86-V88 PolarHBondContact O-N 3.31Å; D86-V88 WeakPolarHBondContact OD1-CA 3.38Å; D86-V88 VanDerWaalsContact OD1-CB 3.24Å; D86-V88 WeakPolarHBondContact OD1-CB 3.16Å; D86-V88 PolarHBondContact OD1-N 3.22Å |
| 89 | L | 90.2 | Very high | 92 | Very high | 51 Ų | 51 | 63 Ų | 63 | 27% | 0.267 | 33% | 0.334 | S | S | . | . | S | Bend | trans | -74.7 | 139.4 | -177.2 | -64.1 | 176.3 | 0 | 0 | 0 | 112.1 | I83 D86 E93 K94 | I83-L89 HydrophobicContact CG2-CD1 3.82Å; D86-L89 HydrophobicContact CB-CB 4.36Å; D86-L89 HydrophobicContact CB-CD1 4.1Å; D86-L89 HydrophobicContact CB-CG 4.22Å; D86-L89 PolarHBondContact OD1-N 3.3Å; L89-E93 WeakPolarHBondContact CA-OE2 3.34Å; L89-E93 HydrophobicContact CB-CB 4.42Å; L89-E93 HydrophobicContact CD2-CB 4.34Å; L89-K94 HydrophobicContact CB-CD 4.36Å; L89-K94 HydrophobicContact CB-CG 3.83Å; L89-K94 HydrophobicContact CD1-CG 4.33Å; L89-K94 VanDerWaalsContact O-CE 3.27Å; L89-K94 WeakPolarHBondContact O-CE 3.44Å |
| 90 | T | 90.8 | Very high | 92.1 | Very high | 65 Ų | 65 | 61.4 Ų | 61.4 | 40% | 0.399 | 33% | 0.329 | S | S | . | . | trans | -74.2 | 167.5 | 172.8 | 85.1 | 0 | 0 | 0 | 0 | 111.6 | E92 E93 K94 | T90-E92 VanDerWaalsContact C-N 3.26Å; T90-E92 WeakPolarHBondContact CB-OE2 2.95Å; T90-E92 PolarHBondContact O-N 3.08Å; T90-E92 PolarHBondContact OG1-N 3.38Å; T90-E92 PolarHBondContact OG1-OE2 3.39Å; T90-E93 PolarHBondContact N-OE2 2.77Å; T90-E93 PolarHBondContact O-N 2.82Å; T90-E93 PolarHBondContact OG1-N 2.89Å; T90-K94 VanDerWaalsContact O-CG 3.26Å; T90-K94 WeakPolarHBondContact O-CG 3.35Å; T90-K94 PolarHBondContact O-N 2.83Å; T90-K94 VanDerWaalsContact O-N 3.07Å | ||
| 91 | V | 89.4 | Confident | 92.2 | Very high | 61 Ų | 61 | 63 Ų | 63 | 37% | 0.37 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -62.5 | -38.8 | 176.8 | 174 | 0 | 0 | 0 | 0 | 110.8 | K94 Y95 F199 | V91-K94 PolarHBondContact O-N 3.36Å; V91-Y95 PolarHBondContact O-N 3.19Å; V91-F199 HydrophobicContact CG1-CB 3.79Å; V91-F199 HydrophobicContact CG1-CD1 3.84Å; V91-F199 HydrophobicContact CG1-CG 3.83Å; V91-F199 HydrophobicContact CG2-CD1 4.42Å |
| 92 | E | 92.3 | Very high | 92.6 | Very high | 140 Ų | 140 | 61.9 Ų | 61.9 | 65% | 0.654 | 33% | 0.33 | S | S | * | . | H | α-helix | trans | -65.3 | -40.8 | 179.2 | -58.3 | 70.5 | -151.7 | 0 | 0 | 111.4 | T90 Y95 P96 | T90-E92 VanDerWaalsContact C-N 3.26Å; T90-E92 WeakPolarHBondContact CB-OE2 2.95Å; T90-E92 PolarHBondContact O-N 3.08Å; T90-E92 PolarHBondContact OG1-N 3.38Å; T90-E92 PolarHBondContact OG1-OE2 3.39Å; E92-Y95 WeakPolarHBondContact O-CB 3.27Å; E92-Y95 PolarHBondContact O-N 3.36Å; E92-P96 WeakPolarHBondContact O-CD 3.13Å |
| 93 | E | 95.1 | Very high | 92.9 | Very high | 98 Ų | 98 | 63.3 Ų | 63.3 | 46% | 0.458 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -68 | -36 | 176.4 | -68 | 175.7 | 139.2 | 0 | 0 | 112.1 | L89 T90 P96 Y97 | L89-E93 WeakPolarHBondContact CA-OE2 3.34Å; L89-E93 HydrophobicContact CB-CB 4.42Å; L89-E93 HydrophobicContact CD2-CB 4.34Å; T90-E93 PolarHBondContact N-OE2 2.77Å; T90-E93 PolarHBondContact O-N 2.82Å; T90-E93 PolarHBondContact OG1-N 2.89Å; E93-P96 WeakPolarHBondContact O-CD 3.15Å; E93-Y97 VanDerWaalsContact O-CD2 3.25Å; E93-Y97 WeakPolarHBondContact O-CD2 3.09Å; E93-Y97 WeakPolarHBondContact O-CE2 3.21Å |
| 94 | K | 94.8 | Very high | 93.2 | Very high | 18 Ų | 18 | 66 Ų | 66 | 8% | 0.078 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -75.5 | -25.8 | 177.8 | -68.2 | 173.9 | -176.4 | -174.6 | 0 | 113.6 | I83 E84 D86 L89 T90 V91 Y97 M98 F199 | I83-K94 HydrophobicContact CG2-CG 4.27Å; I83-K94 WeakPolarHBondContact O-CD 3.46Å; I83-K94 WeakPolarHBondContact O-CE 3.42Å; E84-K94 PolarHBondContact O-NZ 2.65Å; D86-K94 WeakPolarHBondContact O-CE 3.24Å; D86-K94 PolarHBondContact O-NZ 2.95Å; L89-K94 HydrophobicContact CB-CD 4.36Å; L89-K94 HydrophobicContact CB-CG 3.83Å; L89-K94 HydrophobicContact CD1-CG 4.33Å; L89-K94 VanDerWaalsContact O-CE 3.27Å; L89-K94 WeakPolarHBondContact O-CE 3.44Å; T90-K94 VanDerWaalsContact O-CG 3.26Å; T90-K94 WeakPolarHBondContact O-CG 3.35Å; T90-K94 PolarHBondContact O-N 2.83Å; T90-K94 VanDerWaalsContact O-N 3.07Å; V91-K94 PolarHBondContact O-N 3.36Å; K94-Y97 WeakPolarHBondContact O-CB 3.48Å; K94-Y97 PolarHBondContact O-N 3.46Å; K94-Y97 VanDerWaalsContact O-N 3.1Å; K94-M98 PolarHBondContact O-N 3.47Å; K94-M98 VanDerWaalsContact O-N 3.09Å; K94-F199 HydrophobicContact CB-CD2 3.95Å; K94-F199 HydrophobicContact CB-CE2 3.55Å; K94-F199 HydrophobicContact CB-CZ 4.36Å; K94-F199 HydrophobicContact CD-CE2 3.81Å; K94-F199 HydrophobicContact CD-CZ 3.81Å; K94-F199 HydrophobicContact CG-CE2 4.33Å |
| 95 | Y | 94.8 | Very high | 93.5 | Very high | 81 Ų | 81 | 64.3 Ų | 64.3 | 32% | 0.318 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -49.9 | -55.4 | -175.7 | -164.8 | -73.1 | 0 | 0 | 0 | 113.8 | V91 E92 Y97 M98 V99 H197 F199 N200 | V91-Y95 PolarHBondContact O-N 3.19Å; E92-Y95 WeakPolarHBondContact O-CB 3.27Å; E92-Y95 PolarHBondContact O-N 3.36Å; Y95-Y97 PolarHBondContact O-N 2.75Å; Y95-M98 PolarHBondContact O-N 3.41Å; Y95-M98 VanDerWaalsContact O-N 3.11Å; Y95-V99 HydrophobicContact CD1-CG2 4.01Å; Y95-V99 HydrophobicContact CE1-CG2 3.81Å; Y95-V99 PolarHBondContact O-N 3.21Å; Y95-V99 VanDerWaalsContact O-N 3.16Å; Y95-H197 AromaticContact CD1-NE2 3.98Å; Y95-H197 AromaticContact CD2-CE1 3.63Å; Y95-H197 AromaticContact CE1-NE2 3.53Å; Y95-H197 AromaticContact CE2-CE1 3.58Å; Y95-H197 AromaticContact CE2-NE2 3.63Å; Y95-H197 AromaticContact CG-CE1 3.93Å; Y95-H197 AromaticContact CZ-CE1 3.8Å; Y95-H197 AromaticContact CZ-NE2 3.35Å; Y95-H197 VanDerWaalsContact CZ-NE2 3.35Å; Y95-F199 HydrophobicContact CD2-CB 4.37Å; Y95-N200 HydrophobicContact CE2-CB 3.61Å; Y95-N200 WeakPolarHBondContact OH-CB 3.18Å |
| 96 | P | 97.6 | Very high | 94.2 | Very high | 77 Ų | 77 | 64 Ų | 64 | 50% | 0.5 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -62.4 | -30.9 | -179.1 | 25.2 | -35.8 | 0 | 0 | 0 | 113 | E92 E93 V99 E100 | E92-P96 WeakPolarHBondContact O-CD 3.13Å; E93-P96 WeakPolarHBondContact O-CD 3.15Å; P96-V99 PolarHBondContact O-N 2.7Å; P96-E100 WeakPolarHBondContact O-CB 3.43Å; P96-E100 PolarHBondContact O-N 2.97Å |
| 97 | Y | 97.8 | Very high | 94.9 | Very high | 97 Ų | 97 | 63 Ų | 63 | 38% | 0.38 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -69.4 | -36 | 176.6 | -66.5 | -76 | 0 | 0 | 0 | 112.2 | Y80 I83 E93 K94 Y95 E100 W101 | Y80-Y97 VanDerWaalsContact CD1-O 3.29Å; Y80-Y97 WeakPolarHBondContact CD1-O 3.48Å; Y80-Y97 HydrophobicContact CE1-CD1 4.23Å; Y80-Y97 WeakPolarHBondContact CE1-O 3.38Å; I83-Y97 HydrophobicContact CD1-CD1 3.7Å; I83-Y97 HydrophobicContact CD1-CE1 4.07Å; I83-Y97 HydrophobicContact CD1-CG 4.02Å; I83-Y97 HydrophobicContact CG2-CD2 3.84Å; I83-Y97 HydrophobicContact CG2-CG 3.88Å; E93-Y97 VanDerWaalsContact O-CD2 3.25Å; E93-Y97 WeakPolarHBondContact O-CD2 3.09Å; E93-Y97 WeakPolarHBondContact O-CE2 3.21Å; K94-Y97 WeakPolarHBondContact O-CB 3.48Å; K94-Y97 PolarHBondContact O-N 3.46Å; K94-Y97 VanDerWaalsContact O-N 3.1Å; Y95-Y97 PolarHBondContact O-N 2.75Å; Y97-E100 PolarHBondContact O-N 3.41Å; Y97-W101 WeakPolarHBondContact O-CB 2.91Å; Y97-W101 PolarHBondContact O-N 3.38Å |
| 98 | M | 97.5 | Very high | 95.7 | Very high | 0 Ų | 0 | 59.2 Ų | 59.2 | 0% | 0 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -67.5 | -42.2 | 175.2 | -64.9 | -57.1 | 96.7 | 0 | 0 | 111.1 | E84 K94 Y95 E100 W101 Y102 H197 V198 F199 | E84-M98 HydrophobicContact CB-CE 3.84Å; E84-M98 HydrophobicContact CB-SD 3.9Å; E84-M98 HydrophobicContact CG-SD 3.97Å; K94-M98 PolarHBondContact O-N 3.47Å; K94-M98 VanDerWaalsContact O-N 3.09Å; Y95-M98 PolarHBondContact O-N 3.41Å; Y95-M98 VanDerWaalsContact O-N 3.11Å; M98-E100 VanDerWaalsContact C-N 3.31Å; M98-E100 PolarHBondContact O-N 2.99Å; M98-W101 HydrophobicContact CE-CE3 3.99Å; M98-W101 PolarHBondContact O-N 3.04Å; M98-W101 HydrophobicContact SD-CE3 3.91Å; M98-W101 HydrophobicContact SD-CZ3 4.29Å; M98-Y102 VanDerWaalsContact O-CD2 3.25Å; M98-Y102 WeakPolarHBondContact O-CD2 3.28Å; M98-Y102 PolarHBondContact O-N 2.83Å; M98-H197 HydrophobicContact CB-CB 4.19Å; M98-V198 HydrophobicContact CG-CG1 3.97Å; M98-V198 HydrophobicContact SD-CG1 3.92Å; M98-F199 HydrophobicContact CG-CD2 3.52Å; M98-F199 HydrophobicContact CG-CE2 3.62Å; M98-F199 HydrophobicContact SD-CE2 4.2Å |
| 99 | V | 97.4 | Very high | 96.2 | Very high | 52 Ų | 52 | 53.3 Ų | 53.3 | 32% | 0.315 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -58.3 | -46.2 | 173.6 | 176.9 | 0 | 0 | 0 | 0 | 110.9 | Y95 P96 T103 L195 | Y95-V99 HydrophobicContact CD1-CG2 4.01Å; Y95-V99 HydrophobicContact CE1-CG2 3.81Å; Y95-V99 PolarHBondContact O-N 3.21Å; Y95-V99 VanDerWaalsContact O-N 3.16Å; P96-V99 PolarHBondContact O-N 2.7Å; V99-T103 VanDerWaalsContact O-CB 3.24Å; V99-T103 WeakPolarHBondContact O-CB 3.32Å; V99-T103 PolarHBondContact O-N 2.78Å; V99-T103 PolarHBondContact O-OG1 3.3Å; V99-L195 HydrophobicContact CG1-CD2 4.41Å |
| 100 | E | 98.3 | Very high | 96.5 | Very high | 72 Ų | 72 | 53 Ų | 53 | 34% | 0.336 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -62.8 | -44.4 | 178.8 | -166.3 | -171 | -176.6 | 0 | 0 | 111.9 | Y80 P96 Y97 M98 K104 | Y80-E100 HydrophobicContact CE1-CB 4.14Å; Y80-E100 HydrophobicContact CE1-CG 4.35Å; Y80-E100 WeakPolarHBondContact CE1-OE2 3.38Å; Y80-E100 WeakPolarHBondContact OH-CG 3.44Å; Y80-E100 PolarHBondContact OH-OE1 3.16Å; Y80-E100 VanDerWaalsContact OH-OE1 3.06Å; Y80-E100 PolarHBondContact OH-OE2 2.98Å; P96-E100 WeakPolarHBondContact O-CB 3.43Å; P96-E100 PolarHBondContact O-N 2.97Å; Y97-E100 PolarHBondContact O-N 3.41Å; M98-E100 VanDerWaalsContact C-N 3.31Å; M98-E100 PolarHBondContact O-N 2.99Å; E100-K104 HydrophobicContact CG-CD 4.19Å; E100-K104 WeakPolarHBondContact O-CB 3.24Å; E100-K104 VanDerWaalsContact O-CG 3.32Å; E100-K104 WeakPolarHBondContact O-CG 3.48Å; E100-K104 PolarHBondContact O-N 2.97Å; E100-K104 WeakPolarHBondContact OE1-CE 3.08Å; E100-K104 IonicContact OE1-NZ 2.79Å; E100-K104 PolarHBondContact OE1-NZ 3.08Å |
| 101 | W | 98.3 | Very high | 96.9 | Very high | 34 Ų | 34 | 56.3 Ų | 56.3 | 13% | 0.129 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -59.8 | -52.7 | 179.3 | -174.9 | 13.4 | 0 | 0 | 0 | 111.8 | K77 Y80 Y81 E84 Y97 M98 T103 K104 S105 | K77-W101 HydrophobicContact CB-CZ2 4.07Å; K77-W101 HydrophobicContact CG-CZ2 4.05Å; Y80-W101 HydrophobicContact CD1-CB 3.71Å; Y80-W101 HydrophobicContact CD1-CG 4.31Å; Y80-W101 HydrophobicContact CD2-CB 3.67Å; Y80-W101 AromaticContact CD2-CD1 3.57Å; Y80-W101 HydrophobicContact CD2-CD2 4.4Å; Y80-W101 AromaticContact CD2-CG 3.6Å; Y80-W101 HydrophobicContact CD2-CG 3.6Å; Y80-W101 HydrophobicContact CE1-CB 4.27Å; Y80-W101 HydrophobicContact CE2-CB 4.29Å; Y80-W101 HydrophobicContact CG-CB 3.4Å; Y80-W101 AromaticContact CG-CD1 3.96Å; Y80-W101 HydrophobicContact CG-CD2 4.05Å; Y80-W101 AromaticContact CG-CG 3.51Å; Y80-W101 HydrophobicContact CG-CG 3.51Å; Y81-W101 HydrophobicContact CD2-CH2 4.49Å; E84-W101 VanDerWaalsContact OE2-CZ3 3.29Å; E84-W101 WeakPolarHBondContact OE2-CZ3 3.35Å; Y97-W101 WeakPolarHBondContact O-CB 2.91Å; Y97-W101 PolarHBondContact O-N 3.38Å; M98-W101 HydrophobicContact CE-CE3 3.99Å; M98-W101 PolarHBondContact O-N 3.04Å; M98-W101 HydrophobicContact SD-CE3 3.91Å; M98-W101 HydrophobicContact SD-CZ3 4.29Å; W101-T103 PolarHBondContact O-N 2.91Å; W101-K104 PolarHBondContact O-N 2.84Å; W101-S105 WeakPolarHBondContact O-CB 3.42Å; W101-S105 PolarHBondContact O-N 3.37Å |
| 102 | Y | 98.1 | Very high | 97.3 | Very high | 30 Ų | 30 | 55.4 Ų | 55.4 | 12% | 0.118 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -64.2 | -42.9 | -177.8 | -86.8 | -100.7 | 0 | 0 | 0 | 111.3 | H56 M98 K104 S105 H106 A153 L195 H197 | H56-Y102 AromaticContact CE1-CE1 3.68Å; H56-Y102 AromaticContact NE2-CE1 3.83Å; M98-Y102 VanDerWaalsContact O-CD2 3.25Å; M98-Y102 WeakPolarHBondContact O-CD2 3.28Å; M98-Y102 PolarHBondContact O-N 2.83Å; Y102-K104 VanDerWaalsContact C-N 3.34Å; Y102-K104 PolarHBondContact O-N 2.69Å; Y102-S105 PolarHBondContact O-N 2.88Å; Y102-H106 AromaticContact CD1-CE1 3.98Å; Y102-H106 VanDerWaalsContact O-CB 3.25Å; Y102-H106 WeakPolarHBondContact O-CB 3.36Å; Y102-H106 PolarHBondContact O-N 3.08Å; Y102-A153 WeakPolarHBondContact CE1-O 3.45Å; Y102-A153 PolarHBondContact OH-O 2.98Å; Y102-L195 HydrophobicContact CD1-CD1 3.75Å; Y102-L195 HydrophobicContact CG-CD1 3.98Å; Y102-L195 HydrophobicContact CG-CD2 4.45Å; Y102-H197 HydrophobicContact CD2-CB 3.94Å; Y102-H197 HydrophobicContact CE2-CB 3.81Å; Y102-H197 HydrophobicContact CG-CB 4.41Å |
| 103 | T | 97.9 | Very high | 97.5 | Very high | 86 Ų | 86 | 51.3 Ų | 51.3 | 53% | 0.528 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -60.6 | -44.1 | 177.9 | -61.9 | 0 | 0 | 0 | 0 | 111.3 | V99 W101 G107 | V99-T103 VanDerWaalsContact O-CB 3.24Å; V99-T103 WeakPolarHBondContact O-CB 3.32Å; V99-T103 PolarHBondContact O-N 2.78Å; V99-T103 PolarHBondContact O-OG1 3.3Å; W101-T103 PolarHBondContact O-N 2.91Å; T103-G107 PolarHBondContact O-N 2.98Å |
| 104 | K | 98.4 | Very high | 97.6 | Very high | 83 Ų | 83 | 46.8 Ų | 46.8 | 36% | 0.361 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -67.3 | -44.9 | 176.7 | -73.3 | 178.5 | -178.8 | 174.9 | 0 | 112.3 | L76 Y80 E100 W101 Y102 G107 L108 | L76-K104 HydrophobicContact CD1-CB 3.77Å; L76-K104 HydrophobicContact CD2-CB 4.04Å; L76-K104 HydrophobicContact CD2-CD 3.74Å; Y80-K104 HydrophobicContact CE2-CD 4.43Å; Y80-K104 PolarHBondContact OH-NZ 2.95Å; E100-K104 HydrophobicContact CG-CD 4.19Å; E100-K104 WeakPolarHBondContact O-CB 3.24Å; E100-K104 VanDerWaalsContact O-CG 3.32Å; E100-K104 WeakPolarHBondContact O-CG 3.48Å; E100-K104 PolarHBondContact O-N 2.97Å; E100-K104 WeakPolarHBondContact OE1-CE 3.08Å; E100-K104 IonicContact OE1-NZ 2.79Å; E100-K104 PolarHBondContact OE1-NZ 3.08Å; W101-K104 PolarHBondContact O-N 2.84Å; Y102-K104 VanDerWaalsContact C-N 3.34Å; Y102-K104 PolarHBondContact O-N 2.69Å; K104-G107 PolarHBondContact O-N 2.91Å; K104-L108 WeakPolarHBondContact O-CG 3.29Å; K104-L108 PolarHBondContact O-N 3.42Å |
| 105 | S | 97.9 | Very high | 97.8 | Very high | 8 Ų | 8 | 47.9 Ų | 47.9 | 6% | 0.056 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -61 | -52.9 | 179.4 | -178.5 | 0 | 0 | 0 | 0 | 110.9 | W101 Y102 G107 L108 L109 | W101-S105 WeakPolarHBondContact O-CB 3.42Å; W101-S105 PolarHBondContact O-N 3.37Å; Y102-S105 PolarHBondContact O-N 2.88Å; S105-G107 VanDerWaalsContact C-N 3.32Å; S105-G107 PolarHBondContact O-N 3.43Å; S105-L108 WeakPolarHBondContact O-CB 3.49Å; S105-L108 PolarHBondContact O-N 2.94Å; S105-L108 VanDerWaalsContact O-N 3.11Å; S105-L109 WeakPolarHBondContact O-CG 3.49Å; S105-L109 PolarHBondContact O-N 3.24Å |
| 106 | H | 98.4 | Very high | 98 | Very high | 16 Ų | 16 | 49.1 Ų | 49.1 | 7% | 0.074 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -59.1 | -41 | 176.7 | -68.9 | 172.4 | 0 | 0 | 0 | 112.4 | H56 Y102 L108 L109 V110 F191 | H56-H106 AromaticContact CE1-NE2 3.96Å; H56-H106 AromaticContact NE2-CD2 3.63Å; H56-H106 AromaticContact NE2-NE2 3.09Å; H56-H106 PolarHBondContact NE2-NE2 2.93Å; Y102-H106 AromaticContact CD1-CE1 3.98Å; Y102-H106 VanDerWaalsContact O-CB 3.25Å; Y102-H106 WeakPolarHBondContact O-CB 3.36Å; Y102-H106 PolarHBondContact O-N 3.08Å; H106-L108 VanDerWaalsContact C-N 3.33Å; H106-L108 PolarHBondContact O-N 3.16Å; H106-L109 PolarHBondContact O-N 2.86Å; H106-L109 VanDerWaalsContact O-N 3.17Å; H106-V110 WeakPolarHBondContact O-CG2 3.39Å; H106-V110 PolarHBondContact O-N 3Å; H106-F191 HydrophobicContact CB-CD2 3.75Å; H106-F191 HydrophobicContact CB-CE2 3.51Å; H106-F191 HydrophobicContact CB-CZ 4.35Å; H106-F191 AromaticContact CD2-CE2 3.57Å; H106-F191 AromaticContact CD2-CZ 3.5Å; H106-F191 AromaticContact CG-CD2 3.66Å; H106-F191 AromaticContact CG-CE2 3.42Å; H106-F191 VanDerWaalsContact CG-CE2 3.42Å; H106-F191 AromaticContact CG-CZ 3.84Å; H106-F191 AromaticContact ND1-CD2 3.69Å; H106-F191 AromaticContact ND1-CE2 3.89Å; H106-F191 AromaticContact ND1-CG 3.91Å; H106-F191 AromaticContact NE2-CE1 3.79Å; H106-F191 AromaticContact NE2-CZ 3.71Å |
| 107 | G | 98.4 | Very high | 98 | Very high | 29 Ų | 29 | 49.7 Ų | 49.7 | 30% | 0.299 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -60.3 | -39.6 | 175.2 | 0 | 0 | 0 | 0 | 0 | 113.3 | T103 K104 S105 Q111 | T103-G107 PolarHBondContact O-N 2.98Å; K104-G107 PolarHBondContact O-N 2.91Å; S105-G107 VanDerWaalsContact C-N 3.32Å; S105-G107 PolarHBondContact O-N 3.43Å; G107-Q111 WeakPolarHBondContact O-CG 3.17Å; G107-Q111 PolarHBondContact O-N 3.2Å |
| 108 | L | 98.4 | Very high | 98 | Very high | 22 Ų | 22 | 48.8 Ų | 48.8 | 12% | 0.115 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -66.2 | -39.2 | 173.9 | -71.4 | 175.5 | 0 | 0 | 0 | 111.9 | K72 L73 L76 K104 S105 H106 Q111 Q112 | K72-L108 HydrophobicContact CB-CD1 3.76Å; K72-L108 HydrophobicContact CD-CD2 4.12Å; L73-L108 HydrophobicContact CD2-CB 4.14Å; L73-L108 HydrophobicContact CD2-CD1 3.92Å; L73-L108 HydrophobicContact CG-CD1 4.05Å; L76-L108 HydrophobicContact CD1-CD1 3.63Å; K104-L108 WeakPolarHBondContact O-CG 3.29Å; K104-L108 PolarHBondContact O-N 3.42Å; S105-L108 WeakPolarHBondContact O-CB 3.49Å; S105-L108 PolarHBondContact O-N 2.94Å; S105-L108 VanDerWaalsContact O-N 3.11Å; H106-L108 VanDerWaalsContact C-N 3.33Å; H106-L108 PolarHBondContact O-N 3.16Å; L108-Q111 WeakPolarHBondContact O-CB 3.37Å; L108-Q111 PolarHBondContact O-N 2.95Å; L108-Q112 PolarHBondContact O-N 2.86Å |
| 109 | L | 97.9 | Very high | 98 | Very high | 0 Ų | 0 | 49.2 Ų | 49.2 | 0% | 0 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -65.4 | -41.2 | 176.9 | -61.9 | -173.6 | 0 | 0 | 0 | 112.1 | I59 L73 S105 H106 Q111 Q112 L114 I155 L188 | I59-L109 HydrophobicContact CB-CD1 4.48Å; I59-L109 HydrophobicContact CG2-CD1 4.04Å; I59-L109 HydrophobicContact CG2-CD2 3.73Å; I59-L109 HydrophobicContact CG2-CG 4.42Å; L73-L109 HydrophobicContact CD1-CD2 4Å; L73-L109 HydrophobicContact CD2-CD2 4.47Å; S105-L109 WeakPolarHBondContact O-CG 3.49Å; S105-L109 PolarHBondContact O-N 3.24Å; H106-L109 PolarHBondContact O-N 2.86Å; H106-L109 VanDerWaalsContact O-N 3.17Å; L109-Q111 VanDerWaalsContact C-N 3.28Å; L109-Q111 PolarHBondContact O-N 2.74Å; L109-Q112 WeakPolarHBondContact O-CB 3.47Å; L109-Q112 PolarHBondContact O-N 2.81Å; L109-L114 HydrophobicContact CB-CD1 4.2Å; L109-I155 HydrophobicContact CD1-CD1 4.06Å; L109-L188 HydrophobicContact CB-CD2 4.1Å |
| 110 | V | 98.1 | Very high | 98.1 | Very high | 43 Ų | 43 | 53.5 Ų | 53.5 | 26% | 0.261 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -58.3 | -41.6 | 174.1 | 171.4 | 0 | 0 | 0 | 0 | 110.7 | H106 Q112 A113 L188 | H106-V110 WeakPolarHBondContact O-CG2 3.39Å; H106-V110 PolarHBondContact O-N 3Å; V110-Q112 PolarHBondContact O-N 2.75Å; V110-A113 PolarHBondContact O-N 2.89Å; V110-L188 HydrophobicContact CG2-CD2 4.2Å; V110-L188 HydrophobicContact CG2-CG 4.02Å |
| 111 | Q | 98 | Very high | 98.1 | Very high | 136 Ų | 136 | 54.6 Ų | 54.6 | 64% | 0.636 | 29% | 0.293 | S | S | * | . | H | α-helix | trans | -64.3 | -19.2 | 177.3 | -69.5 | 169.2 | 23.1 | 0 | 0 | 113.9 | G107 L108 L109 A113 | G107-Q111 WeakPolarHBondContact O-CG 3.17Å; G107-Q111 PolarHBondContact O-N 3.2Å; L108-Q111 WeakPolarHBondContact O-CB 3.37Å; L108-Q111 PolarHBondContact O-N 2.95Å; L109-Q111 VanDerWaalsContact C-N 3.28Å; L109-Q111 PolarHBondContact O-N 2.74Å; Q111-A113 VanDerWaalsContact C-N 3.26Å |
| 112 | Q | 98.2 | Very high | 98.1 | Very high | 41 Ų | 41 | 53.7 Ų | 53.7 | 19% | 0.192 | 29% | 0.29 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -82.7 | -0.4 | 174.6 | -58.2 | -57.5 | -90.7 | 0 | 0 | 113.1 | V65 T66 C69 L108 L109 V110 L114 | V65-Q112 HydrophobicContact CG1-CG 4.41Å; V65-Q112 HydrophobicContact CG2-CG 4.27Å; T66-Q112 PolarHBondContact OG1-OE1 2.87Å; C69-Q112 HydrophobicContact CB-CG 4.25Å; L108-Q112 PolarHBondContact O-N 2.86Å; L109-Q112 WeakPolarHBondContact O-CB 3.47Å; L109-Q112 PolarHBondContact O-N 2.81Å; V110-Q112 PolarHBondContact O-N 2.75Å; Q112-L114 VanDerWaalsContact C-N 3.34Å; Q112-L114 HydrophobicContact CB-CD2 4.13Å; Q112-L114 HydrophobicContact CB-CG 4.22Å; Q112-L114 PolarHBondContact O-N 3.34Å |
| 113 | A | 96.6 | Very high | 98.2 | Very high | 55 Ų | 55 | 52.4 Ų | 52.4 | 46% | 0.455 | 29% | 0.286 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 51.8 | 48.6 | 176.1 | 0 | 0 | 0 | 0 | 0 | 113.2 | V110 Q111 P115 V187 | V110-A113 PolarHBondContact O-N 2.89Å; Q111-A113 VanDerWaalsContact C-N 3.26Å; A113-P115 WeakPolarHBondContact O-CD 3.31Å; A113-V187 HydrophobicContact CB-CG1 3.75Å |
| 114 | L | 97.4 | Very high | 98.2 | Very high | 2 Ų | 2 | 51.4 Ų | 51.4 | 1% | 0.01 | 29% | 0.286 | C | S | . | . | trans | -66.4 | 121.1 | -174.1 | -61.9 | 173.1 | 0 | 0 | 0 | 111.7 | I59 L64 V65 L109 Q112 L188 | I59-L114 HydrophobicContact CG2-CD1 3.36Å; L64-L114 HydrophobicContact CB-CD2 3.77Å; L64-L114 HydrophobicContact CD1-CD2 4.33Å; V65-L114 HydrophobicContact CG2-CD2 4.39Å; L109-L114 HydrophobicContact CB-CD1 4.2Å; Q112-L114 VanDerWaalsContact C-N 3.34Å; Q112-L114 HydrophobicContact CB-CD2 4.13Å; Q112-L114 HydrophobicContact CB-CG 4.22Å; Q112-L114 PolarHBondContact O-N 3.34Å; L114-L188 HydrophobicContact CB-CB 4.06Å; L114-L188 HydrophobicContact CB-CD2 4.28Å; L114-L188 HydrophobicContact CD1-CD2 3.94Å; L114-L188 HydrophobicContact CG-CD2 4.45Å; L114-L188 WeakPolarHBondContact O-CB 3.45Å; L114-L188 PolarHBondContact O-N 3.25Å | ||
| 115 | P | 98.1 | Very high | 98.2 | Very high | 41 Ų | 41 | 52.9 Ų | 52.9 | 27% | 0.266 | 29% | 0.294 | S | S | . | . | B | Isolated β-bridge | trans | -82.8 | 131.8 | 178.7 | 30.2 | -30.7 | 0 | 0 | 0 | 111.6 | L64 A113 A117 K118 G186 | L64-P115 HydrophobicContact CD1-CG 4.04Å; A113-P115 WeakPolarHBondContact O-CD 3.31Å; P115-A117 PolarHBondContact O-N 3.14Å; P115-A117 VanDerWaalsContact O-N 3.17Å; P115-K118 HydrophobicContact CB-CG 4.48Å; P115-K118 HydrophobicContact CG-CB 3.93Å; P115-K118 HydrophobicContact CG-CG 3.59Å; P115-K118 PolarHBondContact O-N 3.17Å; P115-G186 CarbonylContact C-O 3.57Å; P115-G186 WeakPolarHBondContact CA-O 3.43Å |
| 116 | K | 98.3 | Very high | 98.2 | Very high | 108 Ų | 108 | 53.9 Ų | 53.9 | 47% | 0.47 | 30% | 0.301 | S | S | . | . | G | 310 helix | trans | -52.6 | -40.9 | 178.4 | -170.7 | 176.4 | -175.8 | 174.3 | 0 | 112.7 | K118 L119 F182 G186 | K116-K118 PolarHBondContact O-N 2.9Å; K116-K118 VanDerWaalsContact O-N 3.1Å; K116-L119 HydrophobicContact CG-CD1 4.39Å; K116-L119 WeakPolarHBondContact O-CB 3.33Å; K116-L119 WeakPolarHBondContact O-CG 3.2Å; K116-L119 PolarHBondContact O-N 2.77Å; K116-L119 VanDerWaalsContact O-N 3.14Å; K116-F182 HydrophobicContact CB-CD1 3.7Å; K116-F182 HydrophobicContact CB-CD2 4.23Å; K116-F182 HydrophobicContact CB-CE1 3.54Å; K116-F182 HydrophobicContact CB-CE2 4.06Å; K116-F182 HydrophobicContact CB-CG 4.06Å; K116-F182 HydrophobicContact CB-CZ 3.73Å; K116-F182 HydrophobicContact CD-CD2 3.77Å; K116-F182 HydrophobicContact CD-CE2 3.75Å; K116-F182 HydrophobicContact CD-CG 4.27Å; K116-F182 HydrophobicContact CD-CZ 4.26Å; K116-F182 HydrophobicContact CG-CD1 4.46Å; K116-F182 HydrophobicContact CG-CD2 4.16Å; K116-F182 HydrophobicContact CG-CE1 4.13Å; K116-F182 HydrophobicContact CG-CE2 3.77Å; K116-F182 HydrophobicContact CG-CG 4.49Å; K116-F182 HydrophobicContact CG-CZ 3.76Å; K116-G186 PolarHBondContact N-O 3.41Å |
| 117 | A | 97.9 | Very high | 98.2 | Very high | 88 Ų | 88 | 57.9 Ų | 57.9 | 73% | 0.727 | 32% | 0.323 | S | S | * | . | G | 310 helix | trans | -61.5 | -20.3 | -177.6 | 0 | 0 | 0 | 0 | 0 | 113.7 | P115 | P115-A117 PolarHBondContact O-N 3.14Å; P115-A117 VanDerWaalsContact O-N 3.17Å |
| 118 | K | 98.4 | Very high | 98.2 | Very high | 79 Ų | 79 | 58 Ų | 58 | 34% | 0.343 | 32% | 0.318 | S | S | . | . | G | 310 helix | trans | -91.1 | -8.9 | 179.7 | -67 | -62.4 | -173.3 | -179.9 | 0 | 114.3 | L64 P115 K116 K120 E121 I122 | L64-K118 HydrophobicContact CD1-CB 3.94Å; L64-K118 HydrophobicContact CD1-CG 4.23Å; P115-K118 HydrophobicContact CB-CG 4.48Å; P115-K118 HydrophobicContact CG-CB 3.93Å; P115-K118 HydrophobicContact CG-CG 3.59Å; P115-K118 PolarHBondContact O-N 3.17Å; K116-K118 PolarHBondContact O-N 2.9Å; K116-K118 VanDerWaalsContact O-N 3.1Å; K118-K120 PolarHBondContact O-N 3.43Å; K118-E121 VanDerWaalsContact CD-OE2 3.31Å; K118-E121 WeakPolarHBondContact CD-OE2 3.26Å; K118-E121 IonicContact NZ-OE1 2.62Å; K118-E121 PolarHBondContact NZ-OE1 3.22Å; K118-E121 IonicContact NZ-OE2 2.7Å; K118-E121 PolarHBondContact NZ-OE2 3.34Å; K118-E121 PolarHBondContact O-N 3.06Å; K118-E121 VanDerWaalsContact O-N 3.11Å; K118-I122 HydrophobicContact CB-CD1 4.11Å; K118-I122 VanDerWaalsContact O-CG1 3.26Å; K118-I122 WeakPolarHBondContact O-CG1 3.37Å; K118-I122 PolarHBondContact O-N 3.09Å |
| 119 | L | 98.5 | Very high | 98.2 | Very high | 9 Ų | 9 | 59.7 Ų | 59.7 | 5% | 0.047 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -57.3 | -38.8 | -179.5 | -68.1 | -179.9 | 0 | 0 | 0 | 112.6 | I59 K116 E121 I122 V123 D157 V158 M180 F182 | I59-L119 HydrophobicContact CD1-CD2 3.87Å; K116-L119 HydrophobicContact CG-CD1 4.39Å; K116-L119 WeakPolarHBondContact O-CB 3.33Å; K116-L119 WeakPolarHBondContact O-CG 3.2Å; K116-L119 PolarHBondContact O-N 2.77Å; K116-L119 VanDerWaalsContact O-N 3.14Å; L119-E121 PolarHBondContact O-N 3.34Å; L119-I122 HydrophobicContact CD2-CD1 4.42Å; L119-I122 PolarHBondContact O-N 3.36Å; L119-V123 WeakPolarHBondContact O-CG2 3.43Å; L119-V123 PolarHBondContact O-N 2.83Å; L119-D157 HydrophobicContact CD1-CB 3.7Å; L119-V158 HydrophobicContact CD2-CG2 4.42Å; L119-M180 HydrophobicContact CD1-SD 4.47Å; L119-M180 HydrophobicContact CD2-SD 4.48Å; L119-F182 HydrophobicContact CD1-CZ 4.09Å |
| 120 | K | 98.5 | Very high | 98.3 | Very high | 141 Ų | 141 | 60.5 Ų | 60.5 | 61% | 0.613 | 33% | 0.33 | S | S | * | . | H | α-helix | trans | -58.3 | -49.2 | 175.4 | 177 | 167.3 | -175 | 179.8 | 0 | 112.6 | K118 A124 E161 Q165 | K118-K120 PolarHBondContact O-N 3.43Å; K120-A124 WeakPolarHBondContact O-CB 3.31Å; K120-A124 PolarHBondContact O-N 2.93Å; K120-A124 VanDerWaalsContact O-N 3.08Å; K120-E161 WeakPolarHBondContact CB-OE1 3.4Å; K120-E161 VanDerWaalsContact CG-OE1 3.3Å; K120-E161 WeakPolarHBondContact CG-OE1 3.26Å; K120-Q165 PolarHBondContact O-NE2 3.36Å |
| 121 | E | 98.6 | Very high | 98.3 | Very high | 96 Ų | 96 | 58.4 Ų | 58.4 | 45% | 0.449 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -65.7 | -43.5 | 178.2 | -66.9 | 171.5 | -149.3 | 0 | 0 | 110.8 | K118 L119 V123 A124 E125 | K118-E121 VanDerWaalsContact CD-OE2 3.31Å; K118-E121 WeakPolarHBondContact CD-OE2 3.26Å; K118-E121 IonicContact NZ-OE1 2.62Å; K118-E121 PolarHBondContact NZ-OE1 3.22Å; K118-E121 IonicContact NZ-OE2 2.7Å; K118-E121 PolarHBondContact NZ-OE2 3.34Å; K118-E121 PolarHBondContact O-N 3.06Å; K118-E121 VanDerWaalsContact O-N 3.11Å; L119-E121 PolarHBondContact O-N 3.34Å; E121-V123 VanDerWaalsContact C-N 3.35Å; E121-V123 PolarHBondContact O-N 2.87Å; E121-A124 PolarHBondContact O-N 3.17Å; E121-E125 WeakPolarHBondContact O-CB 3.4Å; E121-E125 WeakPolarHBondContact O-CG 3.47Å; E121-E125 PolarHBondContact O-N 2.85Å |
| 122 | I | 98.7 | Very high | 98.3 | Very high | 14 Ų | 14 | 57.1 Ų | 57.1 | 7% | 0.072 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -58.3 | -46.5 | 179.3 | -70.4 | 164.2 | 0 | 0 | 0 | 111.3 | I58 I59 C62 L64 K118 L119 S126 | I58-I122 HydrophobicContact CG2-CG2 3.77Å; I59-I122 HydrophobicContact CD1-CG2 4.06Å; C62-I122 HydrophobicContact CB-CB 4.33Å; C62-I122 HydrophobicContact CB-CD1 4.42Å; C62-I122 HydrophobicContact CB-CG1 3.99Å; C62-I122 HydrophobicContact CB-CG2 3.54Å; L64-I122 HydrophobicContact CD1-CD1 3.91Å; L64-I122 HydrophobicContact CG-CD1 4.48Å; K118-I122 HydrophobicContact CB-CD1 4.11Å; K118-I122 VanDerWaalsContact O-CG1 3.26Å; K118-I122 WeakPolarHBondContact O-CG1 3.37Å; K118-I122 PolarHBondContact O-N 3.09Å; L119-I122 HydrophobicContact CD2-CD1 4.42Å; L119-I122 PolarHBondContact O-N 3.36Å; I122-S126 PolarHBondContact O-N 3.18Å |
| 123 | V | 98.8 | Very high | 98.4 | Very high | 4 Ų | 4 | 56.2 Ų | 56.2 | 2% | 0.024 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -67 | -44.2 | 178.9 | 170.2 | 0 | 0 | 0 | 0 | 111 | I58 L119 E121 E125 S126 V158 E161 V162 | I58-V123 HydrophobicContact CG2-CG2 4.19Å; L119-V123 WeakPolarHBondContact O-CG2 3.43Å; L119-V123 PolarHBondContact O-N 2.83Å; E121-V123 VanDerWaalsContact C-N 3.35Å; E121-V123 PolarHBondContact O-N 2.87Å; V123-E125 VanDerWaalsContact C-N 3.26Å; V123-E125 PolarHBondContact O-N 3.29Å; V123-S126 WeakPolarHBondContact O-CB 3.48Å; V123-S126 PolarHBondContact O-N 3.09Å; V123-S126 VanDerWaalsContact O-N 3.08Å; V123-S126 PolarHBondContact O-OG 2.78Å; V123-V158 HydrophobicContact CG2-CG1 4.02Å; V123-E161 HydrophobicContact CB-CB 4.49Å; V123-E161 HydrophobicContact CB-CG 3.91Å; V123-E161 HydrophobicContact CG1-CG 4.19Å; V123-E161 HydrophobicContact CG2-CB 4.02Å; V123-E161 HydrophobicContact CG2-CG 3.9Å; V123-V162 HydrophobicContact CG1-CB 4.41Å; V123-V162 HydrophobicContact CG1-CG2 3.72Å; V123-V162 HydrophobicContact CG2-CG2 4.42Å |
| 124 | A | 98.6 | Very high | 98.5 | Very high | 65 Ų | 65 | 56 Ų | 56 | 54% | 0.537 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -62.9 | -31.5 | -179.4 | 0 | 0 | 0 | 0 | 0 | 113.2 | K120 E121 | K120-A124 WeakPolarHBondContact O-CB 3.31Å; K120-A124 PolarHBondContact O-N 2.93Å; K120-A124 VanDerWaalsContact O-N 3.08Å; E121-A124 PolarHBondContact O-N 3.17Å |
| 125 | E | 98.2 | Very high | 98.5 | Very high | 114 Ų | 114 | 60.1 Ų | 60.1 | 53% | 0.533 | 32% | 0.32 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -87.8 | -4 | 177.5 | -67 | -173.8 | 159.3 | 0 | 0 | 113.8 | K63 E121 V123 | K63-E125 WeakPolarHBondContact CE-OE2 3.3Å; K63-E125 IonicContact NZ-OE1 3.34Å; K63-E125 PolarHBondContact NZ-OE1 3.34Å; K63-E125 IonicContact NZ-OE2 3.01Å; K63-E125 PolarHBondContact NZ-OE2 2.72Å; E121-E125 WeakPolarHBondContact O-CB 3.4Å; E121-E125 WeakPolarHBondContact O-CG 3.47Å; E121-E125 PolarHBondContact O-N 2.85Å; V123-E125 VanDerWaalsContact C-N 3.26Å; V123-E125 PolarHBondContact O-N 3.29Å |
| 126 | S | 98.4 | Very high | 98.5 | Very high | 29 Ų | 29 | 61.9 Ų | 61.9 | 20% | 0.203 | 33% | 0.327 | C | S | . | . | S | Bend | trans | -84.1 | 162.7 | -176.1 | 77.8 | 0 | 0 | 0 | 0 | 113.2 | I122 V123 V128 | I122-S126 PolarHBondContact O-N 3.18Å; V123-S126 WeakPolarHBondContact O-CB 3.48Å; V123-S126 PolarHBondContact O-N 3.09Å; V123-S126 VanDerWaalsContact O-N 3.08Å; V123-S126 PolarHBondContact O-OG 2.78Å; S126-V128 PolarHBondContact O-N 3.22Å; S126-V128 VanDerWaalsContact OG-CG1 3.31Å; S126-V128 WeakPolarHBondContact OG-CG1 3.48Å |
| 127 | D | 98.1 | Very high | 98.6 | Very high | 100 Ų | 100 | 56.8 Ų | 56.8 | 54% | 0.535 | 31% | 0.305 | S | S | . | . | trans | -86.4 | 19.7 | 176 | -68.5 | -29.9 | 0 | 0 | 0 | 112.9 | K50 P53 | K50-D127 IonicContact NZ-OD2 2.65Å; K50-D127 PolarHBondContact NZ-OD2 2.91Å; P53-D127 VanDerWaalsContact CD-O 3.31Å; P53-D127 WeakPolarHBondContact CD-O 3.28Å; P53-D127 HydrophobicContact CG-CB 4.37Å | ||
| 128 | V | 98.6 | Very high | 98.6 | Very high | 31 Ų | 31 | 52.6 Ų | 52.6 | 19% | 0.188 | 27% | 0.271 | C | S | . | . | trans | -64.6 | 138.6 | -178.7 | 70.4 | 0 | 0 | 0 | 0 | 110.7 | P53 I58 S126 V162 | P53-V128 HydrophobicContact CG-CB 4.22Å; I58-V128 HydrophobicContact CD1-CB 3.75Å; I58-V128 HydrophobicContact CD1-CG1 4.24Å; I58-V128 HydrophobicContact CD1-CG2 3.85Å; I58-V128 HydrophobicContact CG1-CB 4.28Å; S126-V128 PolarHBondContact O-N 3.22Å; S126-V128 VanDerWaalsContact OG-CG1 3.31Å; S126-V128 WeakPolarHBondContact OG-CG1 3.48Å; V128-V162 HydrophobicContact CG1-CG1 4.23Å; V128-V162 HydrophobicContact CG1-CG2 4.11Å; V128-V162 HydrophobicContact CG2-CG1 4.07Å; V128-V162 HydrophobicContact CG2-CG2 4.18Å | ||
| 129 | M | 98.8 | Very high | 98.6 | Very high | 58 Ų | 58 | 52.5 Ų | 52.5 | 29% | 0.286 | 27% | 0.274 | S | S | . | . | trans | -136.2 | 134.2 | 176 | -61.6 | -167.3 | 81.6 | 0 | 0 | 109.8 | S43 R44 Y47 | S43-M129 CarbonylContact C-O 3.54Å; S43-M129 VanDerWaalsContact CA-O 3.3Å; S43-M129 WeakPolarHBondContact CA-O 3.33Å; S43-M129 WeakPolarHBondContact CB-O 3.33Å; R44-M129 HydrophobicContact CB-CB 4.29Å; R44-M129 HydrophobicContact CG-CB 4.05Å; R44-M129 PolarHBondContact N-O 3.15Å; Y47-M129 HydrophobicContact CD1-CE 4.36Å; Y47-M129 HydrophobicContact CD1-SD 3.55Å; Y47-M129 VanDerWaalsContact CD1-SD 3.55Å; Y47-M129 HydrophobicContact CD2-CE 4.05Å; Y47-M129 HydrophobicContact CD2-SD 3.67Å; Y47-M129 HydrophobicContact CE1-CE 4.28Å; Y47-M129 HydrophobicContact CE1-SD 4.05Å; Y47-M129 HydrophobicContact CE2-CE 3.96Å; Y47-M129 HydrophobicContact CE2-SD 4.15Å; Y47-M129 HydrophobicContact CG-CE 4.24Å; Y47-M129 HydrophobicContact CG-SD 3.34Å | ||
| 130 | L | 98.9 | Very high | 98.6 | Very high | 16 Ų | 16 | 52.9 Ų | 52.9 | 8% | 0.084 | 28% | 0.275 | C | S | . | . | B | Isolated β-bridge | trans | -79.8 | 151.5 | 167.2 | -63.9 | 177 | 0 | 0 | 0 | 110.2 | F38 L42 R44 Y134 V162 A166 V168 | F38-L130 HydrophobicContact CE2-CD2 4.07Å; F38-L130 HydrophobicContact CZ-CD2 4.12Å; L42-L130 WeakPolarHBondContact O-CA 3.47Å; R44-L130 WeakPolarHBondContact CG-O 3.42Å; R44-L130 PolarHBondContact NE-O 3.07Å; L130-Y134 HydrophobicContact CB-CD1 3.5Å; L130-Y134 VanDerWaalsContact CB-CD1 3.5Å; L130-Y134 HydrophobicContact CB-CD2 4.28Å; L130-Y134 HydrophobicContact CB-CE1 4.03Å; L130-Y134 HydrophobicContact CB-CG 3.64Å; L130-Y134 HydrophobicContact CD1-CD1 4.19Å; L130-Y134 HydrophobicContact CD1-CD2 3.46Å; L130-Y134 VanDerWaalsContact CD1-CD2 3.46Å; L130-Y134 HydrophobicContact CD1-CE1 4.4Å; L130-Y134 HydrophobicContact CD1-CE2 3.74Å; L130-Y134 HydrophobicContact CD1-CG 3.72Å; L130-Y134 HydrophobicContact CG-CD1 4.48Å; L130-Y134 HydrophobicContact CG-CG 4.34Å; L130-V162 HydrophobicContact CD2-CG1 4.23Å; L130-A166 HydrophobicContact CD1-CB 3.75Å; L130-V168 HydrophobicContact CD1-CG2 4.42Å |
| 131 | K | 98.9 | Very high | 98.6 | Very high | 0 Ų | 0 | 46.1 Ų | 46.1 | 0% | 0 | 25% | 0.246 | C | C | . | . | P | Polyproline II helix | trans | -59.7 | 149.6 | 174.9 | -74.5 | -167 | -170 | -78.2 | 0 | 110.5 | M40 T41 L42 R44 G133 Y134 Y248 D271 E272 L274 | M40-K131 VanDerWaalsContact O-CE 3.25Å; M40-K131 WeakPolarHBondContact O-CE 3.35Å; M40-K131 PolarHBondContact O-NZ 2.99Å; T41-K131 WeakPolarHBondContact O-CD 3.06Å; T41-K131 WeakPolarHBondContact O-CE 3.5Å; L42-K131 PolarHBondContact O-N 3.42Å; R44-K131 HydrophobicContact CG-CG 4.21Å; K131-G133 PolarHBondContact O-N 3.35Å; K131-Y134 WeakPolarHBondContact O-CB 3.32Å; K131-Y134 WeakPolarHBondContact O-CD1 3.46Å; K131-Y134 PolarHBondContact O-N 3.27Å; K131-Y248 HydrophobicContact CD-CD1 4.21Å; K131-Y248 HydrophobicContact CD-CE1 3.72Å; K131-D271 PolarHBondContact NZ-O 3.14Å; K131-E272 CarbonylContact C-O 3.59Å; K131-E272 VanDerWaalsContact CA-O 3.29Å; K131-E272 WeakPolarHBondContact CA-O 3.31Å; K131-E272 WeakPolarHBondContact CB-O 3.47Å; K131-E272 IonicContact NZ-OE2 3.76Å; K131-E272 PolarHBondContact NZ-OE2 2.71Å; K131-L274 HydrophobicContact CB-CD2 4.45Å; K131-L274 HydrophobicContact CB-CG 3.96Å; K131-L274 HydrophobicContact CD-CD2 4.37Å |
| 132 | E | 98.8 | Very high | 98.6 | Very high | 109 Ų | 109 | 44.3 Ų | 44.3 | 51% | 0.509 | 24% | 0.237 | S | C | . | . | B | Isolated β-bridge | trans | -58 | 135 | 179.7 | -173.7 | 171.4 | 157.7 | 0 | 0 | 111.8 | E272 S273 L274 | E132-E272 PolarHBondContact N-O 3.1Å; E132-S273 WeakPolarHBondContact O-CA 3.35Å; E132-L274 PolarHBondContact O-N 2.62Å |
| 133 | G | 98.7 | Very high | 98.6 | Very high | 22 Ų | 22 | 50.8 Ų | 50.8 | 23% | 0.227 | 27% | 0.267 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 82.7 | 17.4 | -178.2 | 0 | 0 | 0 | 0 | 0 | 114.6 | K131 E135 F137 N278 | K131-G133 PolarHBondContact O-N 3.35Å; G133-E135 VanDerWaalsContact C-N 3.33Å; G133-F137 PolarHBondContact O-N 3.16Å; G133-F137 VanDerWaalsContact O-N 3.1Å; G133-N278 PolarHBondContact O-ND2 2.79Å |
| 134 | Y | 98.9 | Very high | 98.6 | Very high | 51 Ų | 51 | 53.4 Ų | 53.4 | 20% | 0.2 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -63.7 | -36.3 | 177.4 | 75.8 | -92.1 | 0 | 0 | 0 | 112.7 | L130 K131 F137 F138 A166 V168 | L130-Y134 HydrophobicContact CB-CD1 3.5Å; L130-Y134 VanDerWaalsContact CB-CD1 3.5Å; L130-Y134 HydrophobicContact CB-CD2 4.28Å; L130-Y134 HydrophobicContact CB-CE1 4.03Å; L130-Y134 HydrophobicContact CB-CG 3.64Å; L130-Y134 HydrophobicContact CD1-CD1 4.19Å; L130-Y134 HydrophobicContact CD1-CD2 3.46Å; L130-Y134 VanDerWaalsContact CD1-CD2 3.46Å; L130-Y134 HydrophobicContact CD1-CE1 4.4Å; L130-Y134 HydrophobicContact CD1-CE2 3.74Å; L130-Y134 HydrophobicContact CD1-CG 3.72Å; L130-Y134 HydrophobicContact CG-CD1 4.48Å; L130-Y134 HydrophobicContact CG-CG 4.34Å; K131-Y134 WeakPolarHBondContact O-CB 3.32Å; K131-Y134 WeakPolarHBondContact O-CD1 3.46Å; K131-Y134 PolarHBondContact O-N 3.27Å; Y134-F137 WeakPolarHBondContact O-CB 3.38Å; Y134-F137 PolarHBondContact O-N 3.44Å; Y134-F138 HydrophobicContact CD2-CD2 4.48Å; Y134-F138 VanDerWaalsContact O-CD2 3.28Å; Y134-F138 WeakPolarHBondContact O-CD2 3.49Å; Y134-F138 PolarHBondContact O-N 3.17Å; Y134-A166 HydrophobicContact CE2-CB 3.9Å; Y134-V168 HydrophobicContact CD2-CG1 3.96Å; Y134-V168 HydrophobicContact CD2-CG2 4.2Å; Y134-V168 HydrophobicContact CE2-CG1 3.92Å; Y134-V168 HydrophobicContact CE2-CG2 4.38Å |
| 135 | E | 98.7 | Very high | 98.6 | Very high | 88 Ų | 88 | 54.4 Ų | 54.4 | 41% | 0.411 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -58.9 | -54 | 179 | -58.4 | 92.6 | 144.8 | 0 | 0 | 109.6 | G133 F137 F138 D139 | G133-E135 VanDerWaalsContact C-N 3.33Å; E135-F137 VanDerWaalsContact C-N 3.28Å; E135-F137 PolarHBondContact O-N 2.84Å; E135-F138 PolarHBondContact O-N 2.88Å; E135-D139 WeakPolarHBondContact O-CB 3.25Å; E135-D139 PolarHBondContact O-N 3.45Å |
| 136 | N | 98.6 | Very high | 98.6 | Very high | 78 Ų | 78 | 49 Ų | 49 | 42% | 0.417 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -60.9 | -37.4 | 177.8 | -179.6 | 57.7 | 0 | 0 | 0 | 112.4 | K140 | N136-K140 WeakPolarHBondContact O-CB 3.44Å; N136-K140 PolarHBondContact O-N 2.86Å; N136-K140 VanDerWaalsContact O-N 3.08Å |
| 137 | F | 98.9 | Very high | 98.6 | Very high | 1 Ų | 1 | 48.5 Ų | 48.5 | 0% | 0.004 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -59.8 | -56.2 | 176.6 | -179.6 | -98.6 | 0 | 0 | 0 | 111 | I34 L42 G133 Y134 E135 L141 L224 L274 A277 N278 L281 | I34-F137 HydrophobicContact CG2-CZ 4.04Å; L42-F137 HydrophobicContact CD2-CD1 4.47Å; L42-F137 HydrophobicContact CD2-CE1 4.07Å; G133-F137 PolarHBondContact O-N 3.16Å; G133-F137 VanDerWaalsContact O-N 3.1Å; Y134-F137 WeakPolarHBondContact O-CB 3.38Å; Y134-F137 PolarHBondContact O-N 3.44Å; E135-F137 VanDerWaalsContact C-N 3.28Å; E135-F137 PolarHBondContact O-N 2.84Å; F137-L141 HydrophobicContact CD1-CD1 3.84Å; F137-L141 HydrophobicContact CD2-CD1 4.26Å; F137-L141 HydrophobicContact CE1-CD1 3.55Å; F137-L141 HydrophobicContact CE2-CD1 4Å; F137-L141 HydrophobicContact CG-CD1 4.19Å; F137-L141 HydrophobicContact CZ-CD1 3.64Å; F137-L141 WeakPolarHBondContact O-CB 3.39Å; F137-L141 VanDerWaalsContact O-CD1 3.25Å; F137-L141 WeakPolarHBondContact O-CD1 3.38Å; F137-L141 WeakPolarHBondContact O-CG 3.44Å; F137-L141 PolarHBondContact O-N 3.45Å; F137-L224 HydrophobicContact CE2-CD1 3.97Å; F137-L224 HydrophobicContact CZ-CD1 3.7Å; F137-L274 HydrophobicContact CB-CD1 3.86Å; F137-L274 HydrophobicContact CD1-CD1 4.25Å; F137-L274 HydrophobicContact CD2-CD1 4.41Å; F137-L274 HydrophobicContact CG-CD1 3.93Å; F137-A277 HydrophobicContact CD2-CB 4.48Å; F137-A277 HydrophobicContact CE2-CB 4.25Å; F137-N278 WeakPolarHBondContact CA-OD1 3.4Å; F137-N278 VanDerWaalsContact CB-OD1 3.27Å; F137-N278 WeakPolarHBondContact CB-OD1 3.34Å; F137-N278 PolarHBondContact N-OD1 3.3Å; F137-L281 HydrophobicContact CD2-CD1 3.65Å; F137-L281 HydrophobicContact CE2-CD1 3.78Å |
| 138 | F | 98.9 | Very high | 98.7 | Very high | 0 Ų | 0 | 43.7 Ų | 43.7 | 0% | 0 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -69 | -43.4 | -177.6 | -79.6 | -75.9 | 0 | 0 | 0 | 112.8 | L42 Y134 E135 L141 Q142 I150 V168 V173 | L42-F138 HydrophobicContact CD1-CZ 4Å; Y134-F138 HydrophobicContact CD2-CD2 4.48Å; Y134-F138 VanDerWaalsContact O-CD2 3.28Å; Y134-F138 WeakPolarHBondContact O-CD2 3.49Å; Y134-F138 PolarHBondContact O-N 3.17Å; E135-F138 PolarHBondContact O-N 2.88Å; F138-L141 PolarHBondContact O-N 3.18Å; F138-Q142 WeakPolarHBondContact O-CB 3.39Å; F138-Q142 PolarHBondContact O-N 3.11Å; F138-I150 HydrophobicContact CE1-CD1 4.21Å; F138-I150 HydrophobicContact CZ-CD1 4.24Å; F138-V168 HydrophobicContact CB-CB 3.65Å; F138-V168 HydrophobicContact CB-CG1 3.87Å; F138-V168 HydrophobicContact CD1-CB 4.31Å; F138-V168 HydrophobicContact CD2-CB 3.73Å; F138-V168 HydrophobicContact CD2-CG1 4.18Å; F138-V168 HydrophobicContact CD2-CG2 3.68Å; F138-V168 HydrophobicContact CE2-CB 4.46Å; F138-V168 HydrophobicContact CE2-CG2 3.95Å; F138-V168 HydrophobicContact CG-CB 3.65Å; F138-V168 HydrophobicContact CG-CG1 4.26Å; F138-V168 HydrophobicContact CG-CG2 4.05Å; F138-V173 HydrophobicContact CD1-CG2 4.03Å; F138-V173 HydrophobicContact CE1-CG2 4.05Å |
| 139 | D | 98.5 | Very high | 98.7 | Very high | 77 Ų | 77 | 42.2 Ų | 42.2 | 41% | 0.412 | 22% | 0.218 | S | C | . | . | H | α-helix | trans | -67.6 | -40.9 | -175.6 | -68.5 | -13.6 | 0 | 0 | 0 | 111.6 | E135 Q142 Q143 H170 | E135-D139 WeakPolarHBondContact O-CB 3.25Å; E135-D139 PolarHBondContact O-N 3.45Å; D139-Q142 PolarHBondContact O-N 3.49Å; D139-Q143 VanDerWaalsContact O-CB 3.32Å; D139-Q143 WeakPolarHBondContact O-CB 3.45Å; D139-Q143 PolarHBondContact O-N 2.8Å; D139-H170 IonicContact OD1-CD2 2.57Å; D139-H170 IonicContact OD1-CE1 3.66Å; D139-H170 IonicContact OD1-NE2 2.88Å; D139-H170 PolarHBondContact OD1-NE2 2.91Å |
| 140 | K | 98.5 | Very high | 98.7 | Very high | 16 Ų | 16 | 39.5 Ų | 39.5 | 7% | 0.07 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -67.6 | -38.3 | 177.7 | -174.8 | 163.2 | 169.9 | 124.4 | 0 | 111.9 | N136 H144 L281 Q282 L285 | N136-K140 WeakPolarHBondContact O-CB 3.44Å; N136-K140 PolarHBondContact O-N 2.86Å; N136-K140 VanDerWaalsContact O-N 3.08Å; K140-H144 PolarHBondContact O-N 2.77Å; K140-H144 PolarHBondContact O-ND1 3.14Å; K140-L281 WeakPolarHBondContact CE-O 3.21Å; K140-Q282 VanDerWaalsContact NZ-CD 3.28Å; K140-L285 WeakPolarHBondContact CE-O 3.47Å; K140-L285 HydrophobicContact CG-CD1 4.14Å; K140-L285 PolarHBondContact NZ-O 3.42Å |
| 141 | L | 98.8 | Very high | 98.7 | Very high | 0 Ų | 0 | 38.7 Ų | 38.7 | 0% | 0 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -64.5 | -45 | 173.9 | -69.2 | 168.4 | 0 | 0 | 0 | 111.1 | I34 F137 F138 H144 S145 I146 V148 L281 L285 | I34-L141 HydrophobicContact CD1-CD2 3.95Å; I34-L141 HydrophobicContact CG1-CD1 3.91Å; I34-L141 HydrophobicContact CG1-CD2 3.6Å; I34-L141 HydrophobicContact CG1-CG 4.42Å; F137-L141 HydrophobicContact CD1-CD1 3.84Å; F137-L141 HydrophobicContact CD2-CD1 4.26Å; F137-L141 HydrophobicContact CE1-CD1 3.55Å; F137-L141 HydrophobicContact CE2-CD1 4Å; F137-L141 HydrophobicContact CG-CD1 4.19Å; F137-L141 HydrophobicContact CZ-CD1 3.64Å; F137-L141 WeakPolarHBondContact O-CB 3.39Å; F137-L141 VanDerWaalsContact O-CD1 3.25Å; F137-L141 WeakPolarHBondContact O-CD1 3.38Å; F137-L141 WeakPolarHBondContact O-CG 3.44Å; F137-L141 PolarHBondContact O-N 3.45Å; F138-L141 PolarHBondContact O-N 3.18Å; L141-H144 CarbonylContact O-C 3.51Å; L141-H144 PolarHBondContact O-N 3.29Å; L141-S145 PolarHBondContact O-N 3.22Å; L141-I146 HydrophobicContact CB-CB 4.25Å; L141-I146 HydrophobicContact CD2-CB 3.71Å; L141-I146 HydrophobicContact CD2-CG1 3.96Å; L141-I146 HydrophobicContact CD2-CG2 3.74Å; L141-I146 PolarHBondContact O-N 3.23Å; L141-V148 HydrophobicContact CB-CG2 4.15Å; L141-V148 HydrophobicContact CD1-CG2 3.77Å; L141-V148 HydrophobicContact CG-CG2 4.46Å; L141-L281 HydrophobicContact CD1-CD1 4.32Å; L141-L281 HydrophobicContact CD2-CD1 3.96Å; L141-L281 HydrophobicContact CD2-CD2 3.82Å; L141-L281 HydrophobicContact CG-CD1 4.06Å; L141-L285 HydrophobicContact CD2-CD1 4.44Å |
| 142 | Q | 98.6 | Very high | 98.6 | Very high | 57 Ų | 57 | 38.7 Ų | 38.7 | 27% | 0.266 | 20% | 0.201 | S | C | . | . | H | α-helix | trans | -64.5 | -41.8 | 176.8 | 170.5 | 56.6 | 20 | 0 | 0 | 112.2 | F138 D139 H144 S145 H170 N172 | F138-Q142 WeakPolarHBondContact O-CB 3.39Å; F138-Q142 PolarHBondContact O-N 3.11Å; D139-Q142 PolarHBondContact O-N 3.49Å; Q142-H144 PolarHBondContact O-N 2.79Å; Q142-H144 VanDerWaalsContact O-N 3.17Å; Q142-S145 PolarHBondContact O-N 3.5Å; Q142-H170 HydrophobicContact CB-CB 3.92Å; Q142-H170 HydrophobicContact CG-CB 3.79Å; Q142-N172 PolarHBondContact N-ND2 2.97Å; Q142-N172 PolarHBondContact OE1-OD1 2.99Å |
| 143 | Q | 98.5 | Very high | 98.6 | Very high | 150 Ų | 150 | 34 Ų | 34 | 70% | 0.701 | 18% | 0.18 | S | C | * | . | H | α-helix | trans | -55.3 | -35.2 | 178 | -179.1 | -176.9 | 0.9 | 0 | 0 | 112.2 | D139 | D139-Q143 VanDerWaalsContact O-CB 3.32Å; D139-Q143 WeakPolarHBondContact O-CB 3.45Å; D139-Q143 PolarHBondContact O-N 2.8Å |
| 144 | H | 98.6 | Very high | 98.5 | Very high | 59 Ų | 59 | 33 Ų | 33 | 27% | 0.273 | 17% | 0.17 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -100.2 | 7.9 | 179 | -60.6 | 82.7 | 0 | 0 | 0 | 112.8 | A29 K140 L141 Q142 I146 L285 | A29-H144 HydrophobicContact CB-CB 4.37Å; K140-H144 PolarHBondContact O-N 2.77Å; K140-H144 PolarHBondContact O-ND1 3.14Å; L141-H144 CarbonylContact O-C 3.51Å; L141-H144 PolarHBondContact O-N 3.29Å; Q142-H144 PolarHBondContact O-N 2.79Å; Q142-H144 VanDerWaalsContact O-N 3.17Å; H144-I146 HydrophobicContact CB-CD1 3.89Å; H144-I146 HydrophobicContact CB-CG1 3.89Å; H144-I146 PolarHBondContact O-N 3.17Å; H144-L285 HydrophobicContact CB-CD1 4.36Å; H144-L285 HydrophobicContact CB-CD2 4.14Å |
| 145 | S | 98.2 | Very high | 98.5 | Very high | 86 Ų | 86 | 30.6 Ų | 30.6 | 60% | 0.601 | 16% | 0.161 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 51.9 | 36.3 | -177.5 | -58 | 0 | 0 | 0 | 0 | 113.6 | L141 Q142 P147 | L141-S145 PolarHBondContact O-N 3.22Å; Q142-S145 PolarHBondContact O-N 3.5Å; S145-P147 WeakPolarHBondContact O-CD 3.27Å |
| 146 | I | 98.8 | Very high | 98.5 | Very high | 1 Ų | 1 | 26.4 Ų | 26.4 | 1% | 0.005 | 14% | 0.141 | C | C | . | . | trans | -71.3 | 124.5 | 178.3 | -53.4 | -52.9 | 0 | 0 | 0 | 108.8 | A29 L32 I34 L141 H144 V148 N172 L285 | A29-I146 HydrophobicContact CB-CD1 3.8Å; A29-I146 WeakPolarHBondContact O-CD1 3.3Å; L32-I146 HydrophobicContact CB-CD1 4.33Å; L32-I146 HydrophobicContact CB-CG2 4.29Å; L32-I146 HydrophobicContact CD2-CD1 4.48Å; L32-I146 HydrophobicContact CD2-CG1 4.44Å; L32-I146 HydrophobicContact CD2-CG2 4.05Å; L32-I146 HydrophobicContact CG-CG2 3.94Å; I34-I146 HydrophobicContact CG1-CG2 4.05Å; L141-I146 HydrophobicContact CB-CB 4.25Å; L141-I146 HydrophobicContact CD2-CB 3.71Å; L141-I146 HydrophobicContact CD2-CG1 3.96Å; L141-I146 HydrophobicContact CD2-CG2 3.74Å; L141-I146 PolarHBondContact O-N 3.23Å; H144-I146 HydrophobicContact CB-CD1 3.89Å; H144-I146 HydrophobicContact CB-CG1 3.89Å; H144-I146 PolarHBondContact O-N 3.17Å; I146-V148 PolarHBondContact O-N 2.94Å; I146-N172 WeakPolarHBondContact O-CB 3.14Å; I146-N172 PolarHBondContact O-ND2 3.25Å; I146-L285 HydrophobicContact CD1-CD2 3.81Å; I146-L285 HydrophobicContact CG1-CD1 4.03Å; I146-L285 HydrophobicContact CG1-CD2 4.13Å | ||
| 147 | P | 98.6 | Very high | 98.5 | Very high | 18 Ų | 18 | 23.6 Ų | 23.6 | 12% | 0.117 | 13% | 0.126 | C | C | . | . | trans | -61 | 129.8 | 176 | -20.6 | 31.5 | 0 | 0 | 0 | 111.2 | Q33 I34 S145 L215 | Q33-P147 HydrophobicContact CB-CB 4.28Å; I34-P147 PolarHBondContact N-O 2.8Å; S145-P147 WeakPolarHBondContact O-CD 3.27Å; P147-L215 HydrophobicContact CB-CD1 3.54Å; P147-L215 HydrophobicContact CB-CD2 4.15Å; P147-L215 HydrophobicContact CG-CD1 3.9Å; P147-L215 HydrophobicContact CG-CD2 3.64Å; P147-L215 HydrophobicContact CG-CG 4.41Å | ||
| 148 | V | 98.8 | Very high | 98.5 | Very high | 0 Ų | 0 | 23.5 Ų | 23.5 | 0% | 0 | 13% | 0.126 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.3 | 116 | 175.4 | -176.6 | 0 | 0 | 0 | 0 | 109 | I34 T36 L141 I146 I150 N172 V173 K174 | I34-V148 HydrophobicContact CB-CB 4.46Å; I34-V148 HydrophobicContact CB-CG1 4.29Å; I34-V148 HydrophobicContact CB-CG2 4.2Å; I34-V148 HydrophobicContact CG1-CG2 4.28Å; I34-V148 HydrophobicContact CG2-CG1 4.31Å; T36-V148 HydrophobicContact CG2-CG1 4.33Å; L141-V148 HydrophobicContact CB-CG2 4.15Å; L141-V148 HydrophobicContact CD1-CG2 3.77Å; L141-V148 HydrophobicContact CG-CG2 4.46Å; I146-V148 PolarHBondContact O-N 2.94Å; V148-I150 HydrophobicContact CG1-CG1 4.06Å; V148-N172 PolarHBondContact N-O 2.62Å; V148-V173 HydrophobicContact CB-CG2 4.22Å; V148-V173 CarbonylContact O-C 3.18Å; V148-V173 WeakPolarHBondContact O-CA 3.42Å; V148-K174 PolarHBondContact O-N 3.45Å |
| 149 | F | 98.6 | Very high | 98.5 | Very high | 0 Ų | 0 | 23.5 Ų | 23.5 | 0% | 0 | 13% | 0.126 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.2 | 100.7 | 176.5 | -171.3 | -100.2 | 0 | 0 | 0 | 109.5 | I34 I35 T36 F151 K174 V176 N208 Y211 F212 | I34-F149 PolarHBondContact O-N 2.84Å; I35-F149 WeakPolarHBondContact CA-O 3.38Å; I35-F149 HydrophobicContact CG1-CB 4.4Å; I35-F149 HydrophobicContact CG2-CD1 4.35Å; T36-F149 PolarHBondContact N-O 2.92Å; F149-F151 HydrophobicContact CD1-CB 3.87Å; F149-F151 HydrophobicContact CE1-CB 3.59Å; F149-F151 AromaticContact CE1-CD1 3.71Å; F149-F151 HydrophobicContact CE1-CD1 3.71Å; F149-F151 AromaticContact CE1-CG 3.77Å; F149-F151 HydrophobicContact CE1-CG 3.77Å; F149-K174 HydrophobicContact CD2-CB 4.2Å; F149-K174 HydrophobicContact CD2-CG 3.91Å; F149-K174 HydrophobicContact CE2-CG 4.13Å; F149-V176 HydrophobicContact CD2-CG2 4.44Å; F149-V176 HydrophobicContact CE1-CB 4.48Å; F149-V176 HydrophobicContact CE1-CG2 4.47Å; F149-V176 HydrophobicContact CE2-CB 4.22Å; F149-V176 HydrophobicContact CE2-CG2 3.39Å; F149-V176 HydrophobicContact CZ-CB 3.81Å; F149-V176 HydrophobicContact CZ-CG1 4.41Å; F149-V176 HydrophobicContact CZ-CG2 3.41Å; F149-V176 VanDerWaalsContact CZ-CG2 3.41Å; F149-N208 HydrophobicContact CE2-CB 4.38Å; F149-N208 HydrophobicContact CZ-CB 4.13Å; F149-Y211 HydrophobicContact CB-CE1 3.92Å; F149-Y211 AromaticContact CD2-CD1 3.69Å; F149-Y211 HydrophobicContact CD2-CD1 3.69Å; F149-Y211 AromaticContact CD2-CE1 3.35Å; F149-Y211 HydrophobicContact CD2-CE1 3.35Å; F149-Y211 HydrophobicContact CD2-CE2 4.49Å; F149-Y211 HydrophobicContact CD2-CG 4.39Å; F149-Y211 AromaticContact CD2-CZ 3.8Å; F149-Y211 AromaticContact CE2-CD1 3.96Å; F149-Y211 HydrophobicContact CE2-CD1 3.96Å; F149-Y211 HydrophobicContact CE2-CE1 4.11Å; F149-Y211 HydrophobicContact CE2-CG 4.45Å; F149-Y211 HydrophobicContact CG-CD1 4.49Å; F149-Y211 AromaticContact CG-CE1 3.91Å; F149-Y211 HydrophobicContact CG-CE1 3.91Å; F149-F212 HydrophobicContact CD1-CZ 4.09Å; F149-F212 AromaticContact CE1-CZ 3.99Å; F149-F212 HydrophobicContact CE1-CZ 3.99Å; F149-F212 HydrophobicContact CG-CZ 4.42Å; F149-F212 HydrophobicContact CZ-CZ 4.25Å |
| 150 | I | 98.8 | Very high | 98.6 | Very high | 0 Ų | 0 | 21.8 Ų | 21.8 | 0% | 0 | 12% | 0.115 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.8 | 112 | 174.2 | -53.5 | -177.9 | 0 | 0 | 0 | 108.1 | T36 F38 L42 F138 V148 L159 I163 V173 K174 V175 V176 | T36-I150 HydrophobicContact CG2-CB 4.38Å; T36-I150 HydrophobicContact CG2-CG1 3.87Å; T36-I150 CarbonylContact O-C 3.56Å; T36-I150 WeakPolarHBondContact O-CA 3.26Å; F38-I150 HydrophobicContact CB-CG2 3.84Å; F38-I150 HydrophobicContact CD2-CG2 4.31Å; F38-I150 HydrophobicContact CG-CG2 4.49Å; L42-I150 HydrophobicContact CD1-CD1 4.06Å; L42-I150 HydrophobicContact CD1-CG1 4.36Å; F138-I150 HydrophobicContact CE1-CD1 4.21Å; F138-I150 HydrophobicContact CZ-CD1 4.24Å; V148-I150 HydrophobicContact CG1-CG1 4.06Å; I150-L159 HydrophobicContact CG2-CD1 3.9Å; I150-L159 HydrophobicContact CG2-CD2 4.48Å; I150-I163 HydrophobicContact CD1-CD1 4.23Å; I150-V173 HydrophobicContact CD1-CG1 3.54Å; I150-V173 HydrophobicContact CG1-CG1 3.94Å; I150-K174 PolarHBondContact N-O 2.65Å; I150-V175 HydrophobicContact CB-CG2 4.44Å; I150-V176 PolarHBondContact O-N 2.93Å |
| 151 | F | 98.2 | Very high | 98.6 | Very high | 0 Ų | 0 | 22 Ų | 22 | 0% | 0 | 12% | 0.117 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.7 | 95.1 | -177.6 | -168.6 | -178.6 | 0 | 0 | 0 | 110.6 | T36 F149 V176 I196 K201 A205 M233 | T36-F151 PolarHBondContact O-N 2.77Å; F149-F151 HydrophobicContact CD1-CB 3.87Å; F149-F151 HydrophobicContact CE1-CB 3.59Å; F149-F151 AromaticContact CE1-CD1 3.71Å; F149-F151 HydrophobicContact CE1-CD1 3.71Å; F149-F151 AromaticContact CE1-CG 3.77Å; F149-F151 HydrophobicContact CE1-CG 3.77Å; F151-V176 WeakPolarHBondContact CA-O 3.43Å; F151-V176 HydrophobicContact CD2-CB 4.22Å; F151-V176 HydrophobicContact CD2-CG1 3.92Å; F151-V176 HydrophobicContact CE2-CG1 3.95Å; F151-I196 HydrophobicContact CD2-CG2 4.38Å; F151-I196 HydrophobicContact CE2-CD1 3.83Å; F151-I196 HydrophobicContact CE2-CG1 4.11Å; F151-I196 HydrophobicContact CE2-CG2 3.68Å; F151-I196 HydrophobicContact CZ-CG2 4.45Å; F151-K201 HydrophobicContact CD1-CB 4.4Å; F151-K201 HydrophobicContact CE1-CB 3.83Å; F151-K201 HydrophobicContact CE1-CG 4.38Å; F151-K201 WeakPolarHBondContact CE1-O 3.48Å; F151-K201 HydrophobicContact CE2-CG 4.38Å; F151-K201 HydrophobicContact CZ-CB 3.91Å; F151-K201 HydrophobicContact CZ-CG 4.17Å; F151-K201 VanDerWaalsContact CZ-O 3.29Å; F151-K201 WeakPolarHBondContact CZ-O 3.25Å; F151-K201 WeakPolarHBondContact O-CE 3.42Å; F151-K201 PolarHBondContact O-NZ 3.13Å; F151-A205 HydrophobicContact CE1-CB 4.07Å; F151-M233 HydrophobicContact CB-CG 4.39Å; F151-M233 HydrophobicContact CB-SD 3.91Å; F151-M233 HydrophobicContact CD1-CB 4.01Å; F151-M233 HydrophobicContact CD1-CG 3.79Å; F151-M233 HydrophobicContact CD1-SD 4.38Å; F151-M233 HydrophobicContact CE1-CG 4.45Å; F151-M233 HydrophobicContact CG-CG 4.36Å; F151-M233 HydrophobicContact CG-SD 4.39Å |
| 152 | S | 98.3 | Very high | 98.6 | Very high | 0 Ų | 0 | 22.4 Ų | 22.4 | 0% | 0 | 12% | 0.119 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.2 | 137.2 | -170.8 | 178.4 | 0 | 0 | 0 | 0 | 112.4 | G154 V176 S177 | S152-G154 PolarHBondContact O-N 3.44Å; S152-G154 PolarHBondContact OG-N 3.46Å; S152-V176 PolarHBondContact N-O 3.49Å; S152-S177 VanDerWaalsContact O-CA 3.24Å; S152-S177 WeakPolarHBondContact O-CA 2.98Å; S152-S177 WeakPolarHBondContact O-CB 3.48Å; S152-S177 PolarHBondContact O-OG 3.01Å |
| 153 | A | 97.7 | Very high | 98.6 | Very high | 10 Ų | 10 | 19.7 Ų | 19.7 | 8% | 0.083 | 11% | 0.106 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -80.5 | 5.7 | 166.2 | 0 | 0 | 0 | 0 | 0 | 112.9 | Y102 N178 I196 | Y102-A153 WeakPolarHBondContact CE1-O 3.45Å; Y102-A153 PolarHBondContact OH-O 2.98Å; A153-N178 PolarHBondContact O-ND2 3.14Å; A153-N178 VanDerWaalsContact O-ND2 3.09Å; A153-I196 HydrophobicContact CB-CG2 4.15Å |
| 154 | G | 97.9 | Very high | 98.6 | Very high | 1 Ų | 1 | 17.7 Ų | 17.7 | 1% | 0.01 | 9% | 0.092 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -77.9 | -146.3 | 178.1 | 0 | 0 | 0 | 0 | 0 | 113.5 | S152 S177 N178 | S152-G154 PolarHBondContact O-N 3.44Å; S152-G154 PolarHBondContact OG-N 3.46Å; G154-S177 PolarHBondContact O-OG 2.84Å; G154-N178 WeakPolarHBondContact O-CB 3.15Å; G154-N178 PolarHBondContact O-ND2 2.91Å |
| 155 | I | 98.8 | Very high | 98.6 | Very high | 0 Ų | 0 | 18.7 Ų | 18.7 | 0% | 0 | 10% | 0.097 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.4 | 119.5 | 175.2 | -60.3 | 176.4 | 0 | 0 | 0 | 108.9 | C55 I59 L109 V158 L159 M180 F191 | C55-I155 HydrophobicContact CB-CB 4.31Å; I59-I155 HydrophobicContact CG1-CD1 3.94Å; L109-I155 HydrophobicContact CD1-CD1 4.06Å; I155-V158 HydrophobicContact CB-CB 4.19Å; I155-V158 HydrophobicContact CB-CG2 4.08Å; I155-V158 HydrophobicContact CG2-CB 4.19Å; I155-V158 HydrophobicContact CG2-CG2 3.74Å; I155-V158 PolarHBondContact O-N 2.87Å; I155-L159 WeakPolarHBondContact O-CB 3.39Å; I155-L159 PolarHBondContact O-N 3.04Å; I155-M180 HydrophobicContact CD1-CE 4Å; I155-M180 HydrophobicContact CG2-CE 3.75Å; I155-M180 HydrophobicContact CG2-CG 4.02Å; I155-M180 HydrophobicContact CG2-SD 4.35Å; I155-F191 HydrophobicContact CG1-CE1 4.25Å; I155-F191 HydrophobicContact CG2-CE1 4.25Å |
| 156 | G | 98.7 | Very high | 98.6 | Very high | 0 Ų | 0 | 16 Ų | 16 | 0% | 0 | 8% | 0.08 | C | C | . | . | H | α-helix | trans | -60.5 | -50.2 | -173.6 | 0 | 0 | 0 | 0 | 0 | 113.8 | V158 L159 E160 N178 | G156-V158 PolarHBondContact O-N 2.95Å; G156-L159 WeakPolarHBondContact O-CB 3.29Å; G156-L159 PolarHBondContact O-N 2.81Å; G156-E160 WeakPolarHBondContact O-CG 3.39Å; G156-E160 PolarHBondContact O-N 3.47Å; G156-N178 PolarHBondContact N-O 2.92Å |
| 157 | D | 98.9 | Very high | 98.6 | Very high | 19 Ų | 19 | 18.4 Ų | 18.4 | 10% | 0.102 | 11% | 0.105 | C | C | . | . | H | α-helix | trans | -61.7 | -33.8 | -178.2 | -56.7 | -110.2 | 0 | 0 | 0 | 112.7 | L119 E161 F179 M180 | L119-D157 HydrophobicContact CD1-CB 3.7Å; D157-E161 WeakPolarHBondContact O-CB 3.46Å; D157-E161 PolarHBondContact O-N 3.24Å; D157-F179 WeakPolarHBondContact OD2-CA 3.49Å; D157-M180 WeakPolarHBondContact OD2-CB 3.35Å; D157-M180 PolarHBondContact OD2-N 3.36Å |
| 158 | V | 98.9 | Very high | 98.6 | Very high | 0 Ų | 0 | 17.7 Ų | 17.7 | 0% | 0 | 10% | 0.1 | C | C | . | . | H | α-helix | trans | -72.8 | -49.3 | 177.1 | 176.8 | 0 | 0 | 0 | 0 | 110.2 | C55 I58 I59 L119 V123 I155 G156 E160 E161 V162 | C55-V158 HydrophobicContact CB-CB 4.33Å; C55-V158 HydrophobicContact CB-CG1 4.14Å; I58-V158 HydrophobicContact CB-CG1 4.04Å; I58-V158 HydrophobicContact CD1-CG1 3.68Å; I58-V158 HydrophobicContact CG1-CG1 4.46Å; I58-V158 HydrophobicContact CG2-CG1 3.99Å; I59-V158 HydrophobicContact CD1-CG2 3.62Å; I59-V158 HydrophobicContact CG1-CG2 3.77Å; L119-V158 HydrophobicContact CD2-CG2 4.42Å; V123-V158 HydrophobicContact CG2-CG1 4.02Å; I155-V158 HydrophobicContact CB-CB 4.19Å; I155-V158 HydrophobicContact CB-CG2 4.08Å; I155-V158 HydrophobicContact CG2-CB 4.19Å; I155-V158 HydrophobicContact CG2-CG2 3.74Å; I155-V158 PolarHBondContact O-N 2.87Å; G156-V158 PolarHBondContact O-N 2.95Å; V158-E160 VanDerWaalsContact C-N 3.32Å; V158-E160 PolarHBondContact O-N 3.25Å; V158-E161 PolarHBondContact O-N 3.36Å; V158-E161 VanDerWaalsContact O-N 3.12Å; V158-V162 HydrophobicContact CG1-CG2 4.48Å; V158-V162 WeakPolarHBondContact O-CG2 3.31Å; V158-V162 PolarHBondContact O-N 2.86Å |
| 159 | L | 98.9 | Very high | 98.6 | Very high | 0 Ų | 0 | 20.8 Ų | 20.8 | 0% | 0 | 11% | 0.112 | C | C | . | . | H | α-helix | trans | -52.5 | -52.8 | 175.9 | -179.2 | 166.9 | 0 | 0 | 0 | 110.5 | F38 I150 I155 G156 E161 V162 I163 V175 | F38-L159 HydrophobicContact CB-CD1 3.55Å; F38-L159 HydrophobicContact CB-CG 4.24Å; F38-L159 HydrophobicContact CD1-CB 4.33Å; F38-L159 HydrophobicContact CD1-CD1 3.84Å; F38-L159 HydrophobicContact CD1-CG 3.73Å; F38-L159 HydrophobicContact CD2-CD1 3.96Å; F38-L159 HydrophobicContact CD2-CD2 4.22Å; F38-L159 HydrophobicContact CD2-CG 3.73Å; F38-L159 HydrophobicContact CE1-CB 4.34Å; F38-L159 HydrophobicContact CE1-CG 3.94Å; F38-L159 HydrophobicContact CE2-CD2 4.35Å; F38-L159 HydrophobicContact CE2-CG 3.96Å; F38-L159 HydrophobicContact CG-CD1 3.49Å; F38-L159 VanDerWaalsContact CG-CD1 3.49Å; F38-L159 HydrophobicContact CG-CG 3.61Å; F38-L159 HydrophobicContact CZ-CG 4.05Å; I150-L159 HydrophobicContact CG2-CD1 3.9Å; I150-L159 HydrophobicContact CG2-CD2 4.48Å; I155-L159 WeakPolarHBondContact O-CB 3.39Å; I155-L159 PolarHBondContact O-N 3.04Å; G156-L159 WeakPolarHBondContact O-CB 3.29Å; G156-L159 PolarHBondContact O-N 2.81Å; L159-E161 VanDerWaalsContact C-N 3.26Å; L159-E161 PolarHBondContact O-N 2.82Å; L159-V162 WeakPolarHBondContact O-CB 3.47Å; L159-V162 PolarHBondContact O-N 2.81Å; L159-V162 VanDerWaalsContact O-N 3.1Å; L159-I163 HydrophobicContact CD2-CD1 3.86Å; L159-I163 HydrophobicContact CD2-CG1 4.23Å; L159-I163 WeakPolarHBondContact O-CG1 3.44Å; L159-I163 PolarHBondContact O-N 2.92Å; L159-I163 VanDerWaalsContact O-N 3.08Å; L159-V175 HydrophobicContact CD1-CG1 4.1Å; L159-V175 HydrophobicContact CD2-CB 4.46Å; L159-V175 HydrophobicContact CD2-CG1 3.82Å; L159-V175 HydrophobicContact CD2-CG2 3.72Å |
| 160 | E | 98.9 | Very high | 98.6 | Very high | 41 Ų | 41 | 22.5 Ų | 22.5 | 19% | 0.192 | 12% | 0.12 | C | C | . | . | H | α-helix | trans | -56.8 | -41.7 | 179.5 | -75.7 | -159.5 | 161 | 0 | 0 | 112 | G156 V158 I163 R164 Y169 V175 F179 | G156-E160 WeakPolarHBondContact O-CG 3.39Å; G156-E160 PolarHBondContact O-N 3.47Å; V158-E160 VanDerWaalsContact C-N 3.32Å; V158-E160 PolarHBondContact O-N 3.25Å; E160-I163 WeakPolarHBondContact O-CG1 3.33Å; E160-R164 WeakPolarHBondContact O-CB 3.34Å; E160-R164 PolarHBondContact O-N 3.36Å; E160-R164 PolarHBondContact O-NH1 3.29Å; E160-R164 IonicContact OE2-NH2 3.93Å; E160-R164 PolarHBondContact OE2-NH2 2.98Å; E160-Y169 HydrophobicContact CB-CD1 4.26Å; E160-Y169 HydrophobicContact CB-CE1 3.71Å; E160-Y169 VanDerWaalsContact CD-CE1 3.47Å; E160-Y169 HydrophobicContact CG-CD1 4.45Å; E160-Y169 HydrophobicContact CG-CE1 3.48Å; E160-Y169 VanDerWaalsContact CG-CE1 3.48Å; E160-Y169 PolarHBondContact OE1-OH 3.18Å; E160-V175 HydrophobicContact CG-CB 4.44Å; E160-V175 HydrophobicContact CG-CG1 4.44Å; E160-V175 HydrophobicContact CG-CG2 4.28Å; E160-F179 HydrophobicContact CG-CE1 4.14Å; E160-F179 HydrophobicContact CG-CZ 4.41Å |
| 161 | E | 98.9 | Very high | 98.6 | Very high | 21 Ų | 21 | 28.3 Ų | 28.3 | 10% | 0.098 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -69.1 | -35.1 | 178.7 | -172.8 | 61.4 | -161.2 | 0 | 0 | 112.3 | K120 V123 D157 V158 L159 R164 Q165 | K120-E161 WeakPolarHBondContact CB-OE1 3.4Å; K120-E161 VanDerWaalsContact CG-OE1 3.3Å; K120-E161 WeakPolarHBondContact CG-OE1 3.26Å; V123-E161 HydrophobicContact CB-CB 4.49Å; V123-E161 HydrophobicContact CB-CG 3.91Å; V123-E161 HydrophobicContact CG1-CG 4.19Å; V123-E161 HydrophobicContact CG2-CB 4.02Å; V123-E161 HydrophobicContact CG2-CG 3.9Å; D157-E161 WeakPolarHBondContact O-CB 3.46Å; D157-E161 PolarHBondContact O-N 3.24Å; V158-E161 PolarHBondContact O-N 3.36Å; V158-E161 VanDerWaalsContact O-N 3.12Å; L159-E161 VanDerWaalsContact C-N 3.26Å; L159-E161 PolarHBondContact O-N 2.82Å; E161-R164 PolarHBondContact O-N 3.08Å; E161-R164 IonicContact OE2-CZ 2.71Å; E161-R164 IonicContact OE2-NH1 3.59Å; E161-R164 PolarHBondContact OE2-NH1 3.08Å; E161-Q165 HydrophobicContact CG-CG 4.42Å; E161-Q165 WeakPolarHBondContact O-CB 3.35Å; E161-Q165 WeakPolarHBondContact O-CG 3.29Å; E161-Q165 PolarHBondContact O-N 2.74Å; E161-Q165 WeakPolarHBondContact OE1-CG 3.41Å; E161-Q165 PolarHBondContact OE1-NE2 3.31Å |
| 162 | V | 98.9 | Very high | 98.6 | Very high | 8 Ų | 8 | 29.3 Ų | 29.3 | 5% | 0.048 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -59.6 | -54.5 | 173.1 | 174.3 | 0 | 0 | 0 | 0 | 110.6 | F38 I58 V123 V128 L130 V158 L159 R164 Q165 A166 | F38-V162 HydrophobicContact CZ-CB 4.09Å; F38-V162 HydrophobicContact CZ-CG1 3.86Å; I58-V162 HydrophobicContact CD1-CG2 3.86Å; V123-V162 HydrophobicContact CG1-CB 4.41Å; V123-V162 HydrophobicContact CG1-CG2 3.72Å; V123-V162 HydrophobicContact CG2-CG2 4.42Å; V128-V162 HydrophobicContact CG1-CG1 4.23Å; V128-V162 HydrophobicContact CG1-CG2 4.11Å; V128-V162 HydrophobicContact CG2-CG1 4.07Å; V128-V162 HydrophobicContact CG2-CG2 4.18Å; L130-V162 HydrophobicContact CD2-CG1 4.23Å; V158-V162 HydrophobicContact CG1-CG2 4.48Å; V158-V162 WeakPolarHBondContact O-CG2 3.31Å; V158-V162 PolarHBondContact O-N 2.86Å; L159-V162 WeakPolarHBondContact O-CB 3.47Å; L159-V162 PolarHBondContact O-N 2.81Å; L159-V162 VanDerWaalsContact O-N 3.1Å; V162-R164 VanDerWaalsContact C-N 3.3Å; V162-R164 PolarHBondContact O-N 3.3Å; V162-Q165 PolarHBondContact O-N 3.08Å; V162-A166 WeakPolarHBondContact O-CB 3.19Å; V162-A166 PolarHBondContact O-N 3.1Å |
| 163 | I | 98.8 | Very high | 98.7 | Very high | 0 Ų | 0 | 29.9 Ų | 29.9 | 0% | 0 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -70.8 | -26.4 | -178 | 57.5 | 170.6 | 0 | 0 | 0 | 112.7 | F38 I150 L159 E160 G167 V168 Y169 V173 V175 | F38-I163 HydrophobicContact CE2-CG2 3.66Å; F38-I163 HydrophobicContact CZ-CG2 4.3Å; I150-I163 HydrophobicContact CD1-CD1 4.23Å; L159-I163 HydrophobicContact CD2-CD1 3.86Å; L159-I163 HydrophobicContact CD2-CG1 4.23Å; L159-I163 WeakPolarHBondContact O-CG1 3.44Å; L159-I163 PolarHBondContact O-N 2.92Å; L159-I163 VanDerWaalsContact O-N 3.08Å; E160-I163 WeakPolarHBondContact O-CG1 3.33Å; I163-G167 PolarHBondContact O-N 2.77Å; I163-V168 HydrophobicContact CB-CG2 4.04Å; I163-V168 HydrophobicContact CG2-CG2 4.33Å; I163-V168 PolarHBondContact O-N 2.91Å; I163-Y169 HydrophobicContact CD1-CD1 3.95Å; I163-Y169 HydrophobicContact CD1-CD2 3.56Å; I163-Y169 HydrophobicContact CD1-CE1 4.35Å; I163-Y169 HydrophobicContact CD1-CE2 3.97Å; I163-Y169 HydrophobicContact CD1-CG 3.53Å; I163-Y169 HydrophobicContact CG1-CD1 3.99Å; I163-Y169 HydrophobicContact CG1-CD2 4.35Å; I163-Y169 HydrophobicContact CG1-CG 3.81Å; I163-Y169 PolarHBondContact O-N 3.4Å; I163-V173 HydrophobicContact CD1-CG1 4.25Å; I163-V175 HydrophobicContact CD1-CG2 4.16Å |
| 164 | R | 98.8 | Very high | 98.7 | Very high | 108 Ų | 108 | 34 Ų | 34 | 41% | 0.408 | 18% | 0.183 | S | C | . | . | H | α-helix | trans | -69.5 | -46.6 | 173.7 | -175.5 | -177.9 | -61.5 | 109 | 4.8 | 111.7 | E160 E161 V162 A166 G167 Y169 | E160-R164 WeakPolarHBondContact O-CB 3.34Å; E160-R164 PolarHBondContact O-N 3.36Å; E160-R164 PolarHBondContact O-NH1 3.29Å; E160-R164 IonicContact OE2-NH2 3.93Å; E160-R164 PolarHBondContact OE2-NH2 2.98Å; E161-R164 PolarHBondContact O-N 3.08Å; E161-R164 IonicContact OE2-CZ 2.71Å; E161-R164 IonicContact OE2-NH1 3.59Å; E161-R164 PolarHBondContact OE2-NH1 3.08Å; V162-R164 VanDerWaalsContact C-N 3.3Å; V162-R164 PolarHBondContact O-N 3.3Å; R164-A166 VanDerWaalsContact C-N 3.28Å; R164-A166 PolarHBondContact O-N 3.08Å; R164-G167 PolarHBondContact O-N 3.28Å; R164-G167 VanDerWaalsContact O-N 3.09Å; R164-Y169 HydrophobicContact CB-CD1 4.41Å |
| 165 | Q | 98.8 | Very high | 98.7 | Very high | 79 Ų | 79 | 34.3 Ų | 34.3 | 37% | 0.369 | 19% | 0.185 | S | C | . | . | H | α-helix | trans | -66.9 | -32 | 176.5 | -71 | -173.6 | 25.3 | 0 | 0 | 112.2 | K120 E161 V162 G167 | K120-Q165 PolarHBondContact O-NE2 3.36Å; E161-Q165 HydrophobicContact CG-CG 4.42Å; E161-Q165 WeakPolarHBondContact O-CB 3.35Å; E161-Q165 WeakPolarHBondContact O-CG 3.29Å; E161-Q165 PolarHBondContact O-N 2.74Å; E161-Q165 WeakPolarHBondContact OE1-CG 3.41Å; E161-Q165 PolarHBondContact OE1-NE2 3.31Å; V162-Q165 PolarHBondContact O-N 3.08Å; Q165-G167 PolarHBondContact O-N 3.03Å |
| 166 | A | 98.6 | Very high | 98.7 | Very high | 30 Ų | 30 | 35.1 Ų | 35.1 | 25% | 0.248 | 19% | 0.189 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -73.5 | -6.8 | 172.7 | 0 | 0 | 0 | 0 | 0 | 113.9 | L130 Y134 V162 R164 V168 | L130-A166 HydrophobicContact CD1-CB 3.75Å; Y134-A166 HydrophobicContact CE2-CB 3.9Å; V162-A166 WeakPolarHBondContact O-CB 3.19Å; V162-A166 PolarHBondContact O-N 3.1Å; R164-A166 VanDerWaalsContact C-N 3.28Å; R164-A166 PolarHBondContact O-N 3.08Å; A166-V168 VanDerWaalsContact C-N 3.34Å; A166-V168 HydrophobicContact CB-CG2 4Å |
| 167 | G | 98.7 | Very high | 98.6 | Very high | 51 Ų | 51 | 35.6 Ų | 35.6 | 53% | 0.526 | 19% | 0.193 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 76.4 | 16.6 | 177.2 | 0 | 0 | 0 | 0 | 0 | 115.1 | I163 R164 Q165 H170 | I163-G167 PolarHBondContact O-N 2.77Å; R164-G167 PolarHBondContact O-N 3.28Å; R164-G167 VanDerWaalsContact O-N 3.09Å; Q165-G167 PolarHBondContact O-N 3.03Å; G167-H170 PolarHBondContact O-CE1 3.4Å |
| 168 | V | 98.8 | Very high | 98.6 | Very high | 3 Ų | 3 | 34.9 Ų | 34.9 | 2% | 0.018 | 19% | 0.189 | C | C | . | . | trans | -118.9 | 8.7 | -172.1 | -64.1 | 0 | 0 | 0 | 0 | 113.9 | L130 Y134 F138 I163 A166 H170 | L130-V168 HydrophobicContact CD1-CG2 4.42Å; Y134-V168 HydrophobicContact CD2-CG1 3.96Å; Y134-V168 HydrophobicContact CD2-CG2 4.2Å; Y134-V168 HydrophobicContact CE2-CG1 3.92Å; Y134-V168 HydrophobicContact CE2-CG2 4.38Å; F138-V168 HydrophobicContact CB-CB 3.65Å; F138-V168 HydrophobicContact CB-CG1 3.87Å; F138-V168 HydrophobicContact CD1-CB 4.31Å; F138-V168 HydrophobicContact CD2-CB 3.73Å; F138-V168 HydrophobicContact CD2-CG1 4.18Å; F138-V168 HydrophobicContact CD2-CG2 3.68Å; F138-V168 HydrophobicContact CE2-CB 4.46Å; F138-V168 HydrophobicContact CE2-CG2 3.95Å; F138-V168 HydrophobicContact CG-CB 3.65Å; F138-V168 HydrophobicContact CG-CG1 4.26Å; F138-V168 HydrophobicContact CG-CG2 4.05Å; I163-V168 HydrophobicContact CB-CG2 4.04Å; I163-V168 HydrophobicContact CG2-CG2 4.33Å; I163-V168 PolarHBondContact O-N 2.91Å; A166-V168 VanDerWaalsContact C-N 3.34Å; A166-V168 HydrophobicContact CB-CG2 4Å; V168-H170 PolarHBondContact O-N 2.92Å | ||
| 169 | Y | 98.8 | Very high | 98.6 | Very high | 65 Ų | 65 | 37.2 Ų | 37.2 | 26% | 0.255 | 20% | 0.199 | S | C | . | . | trans | -79.6 | 69.5 | 172.1 | -159.8 | 179.4 | 0 | 0 | 0 | 111.4 | E160 I163 R164 V173 V175 | E160-Y169 HydrophobicContact CB-CD1 4.26Å; E160-Y169 HydrophobicContact CB-CE1 3.71Å; E160-Y169 VanDerWaalsContact CD-CE1 3.47Å; E160-Y169 HydrophobicContact CG-CD1 4.45Å; E160-Y169 HydrophobicContact CG-CE1 3.48Å; E160-Y169 VanDerWaalsContact CG-CE1 3.48Å; E160-Y169 PolarHBondContact OE1-OH 3.18Å; I163-Y169 HydrophobicContact CD1-CD1 3.95Å; I163-Y169 HydrophobicContact CD1-CD2 3.56Å; I163-Y169 HydrophobicContact CD1-CE1 4.35Å; I163-Y169 HydrophobicContact CD1-CE2 3.97Å; I163-Y169 HydrophobicContact CD1-CG 3.53Å; I163-Y169 HydrophobicContact CG1-CD1 3.99Å; I163-Y169 HydrophobicContact CG1-CD2 4.35Å; I163-Y169 HydrophobicContact CG1-CG 3.81Å; I163-Y169 PolarHBondContact O-N 3.4Å; R164-Y169 HydrophobicContact CB-CD1 4.41Å; Y169-V173 HydrophobicContact CD2-CB 3.96Å; Y169-V173 HydrophobicContact CD2-CG1 4.07Å; Y169-V173 HydrophobicContact CE2-CB 4.08Å; Y169-V173 HydrophobicContact CE2-CG1 4.01Å; Y169-V175 HydrophobicContact CE2-CG2 4.01Å | ||
| 170 | H | 98.6 | Very high | 98.6 | Very high | 37 Ų | 37 | 37.2 Ų | 37.2 | 17% | 0.171 | 20% | 0.199 | C | C | . | . | trans | -77.6 | 160.5 | -176.9 | -61.9 | -44 | 0 | 0 | 0 | 112.4 | D139 Q142 G167 V168 N172 V173 | D139-H170 IonicContact OD1-CD2 2.57Å; D139-H170 IonicContact OD1-CE1 3.66Å; D139-H170 IonicContact OD1-NE2 2.88Å; D139-H170 PolarHBondContact OD1-NE2 2.91Å; Q142-H170 HydrophobicContact CB-CB 3.92Å; Q142-H170 HydrophobicContact CG-CB 3.79Å; G167-H170 PolarHBondContact O-CE1 3.4Å; V168-H170 PolarHBondContact O-N 2.92Å; H170-N172 WeakPolarHBondContact CB-OD1 3.48Å; H170-N172 PolarHBondContact O-N 3.44Å; H170-N172 VanDerWaalsContact O-N 3.13Å; H170-V173 HydrophobicContact CB-CG2 4.4Å; H170-V173 WeakPolarHBondContact O-CB 3.48Å; H170-V173 PolarHBondContact O-N 3.2Å | ||
| 171 | P | 98.3 | Very high | 98.6 | Very high | 122 Ų | 122 | 37.7 Ų | 37.7 | 79% | 0.792 | 20% | 0.203 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -60.3 | -22.1 | -178.9 | -26.1 | 35.6 | 0 | 0 | 0 | 115.7 | V173 | P171-V173 PolarHBondContact O-N 3.13Š|
| 172 | N | 98.4 | Very high | 98.6 | Very high | 21 Ų | 21 | 37.8 Ų | 37.8 | 11% | 0.112 | 20% | 0.203 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -77.7 | -7.8 | 175.7 | 70.2 | -37.9 | 0 | 0 | 0 | 113.6 | Q142 I146 V148 H170 | Q142-N172 PolarHBondContact N-ND2 2.97Å; Q142-N172 PolarHBondContact OE1-OD1 2.99Å; I146-N172 WeakPolarHBondContact O-CB 3.14Å; I146-N172 PolarHBondContact O-ND2 3.25Å; V148-N172 PolarHBondContact N-O 2.62Å; H170-N172 WeakPolarHBondContact CB-OD1 3.48Å; H170-N172 PolarHBondContact O-N 3.44Å; H170-N172 VanDerWaalsContact O-N 3.13Å |
| 173 | V | 98.7 | Very high | 98.5 | Very high | 12 Ų | 12 | 40.2 Ų | 40.2 | 7% | 0.073 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.7 | 121.1 | -178.9 | -176.2 | 0 | 0 | 0 | 0 | 110.4 | F138 V148 I150 I163 Y169 H170 P171 V175 | F138-V173 HydrophobicContact CD1-CG2 4.03Å; F138-V173 HydrophobicContact CE1-CG2 4.05Å; V148-V173 HydrophobicContact CB-CG2 4.22Å; V148-V173 CarbonylContact O-C 3.18Å; V148-V173 WeakPolarHBondContact O-CA 3.42Å; I150-V173 HydrophobicContact CD1-CG1 3.54Å; I150-V173 HydrophobicContact CG1-CG1 3.94Å; I163-V173 HydrophobicContact CD1-CG1 4.25Å; Y169-V173 HydrophobicContact CD2-CB 3.96Å; Y169-V173 HydrophobicContact CD2-CG1 4.07Å; Y169-V173 HydrophobicContact CE2-CB 4.08Å; Y169-V173 HydrophobicContact CE2-CG1 4.01Å; H170-V173 HydrophobicContact CB-CG2 4.4Å; H170-V173 WeakPolarHBondContact O-CB 3.48Å; H170-V173 PolarHBondContact O-N 3.2Å; P171-V173 PolarHBondContact O-N 3.13Å; V173-V175 HydrophobicContact CG1-CG2 4.36Å |
| 174 | K | 98.2 | Very high | 98.4 | Very high | 97 Ų | 97 | 50 Ų | 50 | 42% | 0.422 | 26% | 0.262 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.2 | 125.8 | 170.8 | 179.1 | 64 | 177.7 | -179.4 | 0 | 109.3 | V148 F149 I150 Y211 | V148-K174 PolarHBondContact O-N 3.45Å; F149-K174 HydrophobicContact CD2-CB 4.2Å; F149-K174 HydrophobicContact CD2-CG 3.91Å; F149-K174 HydrophobicContact CE2-CG 4.13Å; I150-K174 PolarHBondContact N-O 2.65Å; K174-Y211 HydrophobicContact CB-CE2 3.89Å; K174-Y211 HydrophobicContact CG-CD2 4.26Å; K174-Y211 HydrophobicContact CG-CE2 3.98Å |
| 175 | V | 98.4 | Very high | 98.3 | Very high | 7 Ų | 7 | 50.3 Ų | 50.3 | 4% | 0.042 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.5 | 130.5 | 175.3 | -179.4 | 0 | 0 | 0 | 0 | 110.4 | I150 L159 E160 I163 Y169 V173 F179 | I150-V175 HydrophobicContact CB-CG2 4.44Å; L159-V175 HydrophobicContact CD1-CG1 4.1Å; L159-V175 HydrophobicContact CD2-CB 4.46Å; L159-V175 HydrophobicContact CD2-CG1 3.82Å; L159-V175 HydrophobicContact CD2-CG2 3.72Å; E160-V175 HydrophobicContact CG-CB 4.44Å; E160-V175 HydrophobicContact CG-CG1 4.44Å; E160-V175 HydrophobicContact CG-CG2 4.28Å; I163-V175 HydrophobicContact CD1-CG2 4.16Å; Y169-V175 HydrophobicContact CE2-CG2 4.01Å; V173-V175 HydrophobicContact CG1-CG2 4.36Å; V175-F179 HydrophobicContact CB-CZ 4.27Å; V175-F179 HydrophobicContact CG1-CE2 4.35Å; V175-F179 HydrophobicContact CG1-CZ 3.87Å |
| 176 | V | 97.9 | Very high | 98.3 | Very high | 17 Ų | 17 | 47.6 Ų | 47.6 | 10% | 0.103 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.5 | 117.4 | 168.1 | 174.5 | 0 | 0 | 0 | 0 | 108.2 | F149 I150 F151 S152 I196 | F149-V176 HydrophobicContact CD2-CG2 4.44Å; F149-V176 HydrophobicContact CE1-CB 4.48Å; F149-V176 HydrophobicContact CE1-CG2 4.47Å; F149-V176 HydrophobicContact CE2-CB 4.22Å; F149-V176 HydrophobicContact CE2-CG2 3.39Å; F149-V176 HydrophobicContact CZ-CB 3.81Å; F149-V176 HydrophobicContact CZ-CG1 4.41Å; F149-V176 HydrophobicContact CZ-CG2 3.41Å; F149-V176 VanDerWaalsContact CZ-CG2 3.41Å; I150-V176 PolarHBondContact O-N 2.93Å; F151-V176 WeakPolarHBondContact CA-O 3.43Å; F151-V176 HydrophobicContact CD2-CB 4.22Å; F151-V176 HydrophobicContact CD2-CG1 3.92Å; F151-V176 HydrophobicContact CE2-CG1 3.95Å; S152-V176 PolarHBondContact N-O 3.49Å; V176-I196 HydrophobicContact CG1-CD1 3.93Å |
| 177 | S | 98.2 | Very high | 98.3 | Very high | 10 Ų | 10 | 47.9 Ų | 47.9 | 7% | 0.07 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -162.4 | -176.5 | -176.7 | -164.8 | 0 | 0 | 0 | 0 | 111.3 | S152 G154 F179 | S152-S177 VanDerWaalsContact O-CA 3.24Å; S152-S177 WeakPolarHBondContact O-CA 2.98Å; S152-S177 WeakPolarHBondContact O-CB 3.48Å; S152-S177 PolarHBondContact O-OG 3.01Å; G154-S177 PolarHBondContact O-OG 2.84Å; S177-F179 VanDerWaalsContact O-CD2 3.3Å; S177-F179 WeakPolarHBondContact O-CD2 3.42Å; S177-F179 PolarHBondContact O-N 3.47Å; S177-F179 VanDerWaalsContact O-N 3.1Å |
| 178 | N | 98.4 | Very high | 98.3 | Very high | 3 Ų | 3 | 45.7 Ų | 45.7 | 2% | 0.016 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -76.2 | 94 | 173.3 | -54.9 | -65.8 | 0 | 0 | 0 | 109.7 | A153 G154 G156 F191 I196 | A153-N178 PolarHBondContact O-ND2 3.14Å; A153-N178 VanDerWaalsContact O-ND2 3.09Å; G154-N178 WeakPolarHBondContact O-CB 3.15Å; G154-N178 PolarHBondContact O-ND2 2.91Å; G156-N178 PolarHBondContact N-O 2.92Å; N178-F191 HydrophobicContact CB-CD1 3.91Å; N178-F191 HydrophobicContact CB-CE1 4.39Å; N178-I196 PolarHBondContact ND2-O 3.32Å; N178-I196 PolarHBondContact OD1-N 3.41Å; N178-I196 PolarHBondContact OD1-O 2.96Å |
| 179 | F | 98.6 | Very high | 98.3 | Very high | 49 Ų | 49 | 51 Ų | 51 | 22% | 0.215 | 27% | 0.266 | C | S | . | . | trans | -79.5 | 136.4 | 176.9 | -76.6 | -86 | 0 | 0 | 0 | 111.2 | D157 E160 V175 S177 F191 K192 | D157-F179 WeakPolarHBondContact OD2-CA 3.49Å; E160-F179 HydrophobicContact CG-CE1 4.14Å; E160-F179 HydrophobicContact CG-CZ 4.41Å; V175-F179 HydrophobicContact CB-CZ 4.27Å; V175-F179 HydrophobicContact CG1-CE2 4.35Å; V175-F179 HydrophobicContact CG1-CZ 3.87Å; S177-F179 VanDerWaalsContact O-CD2 3.3Å; S177-F179 WeakPolarHBondContact O-CD2 3.42Å; S177-F179 PolarHBondContact O-N 3.47Å; S177-F179 VanDerWaalsContact O-N 3.1Å; F179-F191 CarbonylContact O-C 3.52Å; F179-F191 WeakPolarHBondContact O-CA 3.43Å; F179-K192 HydrophobicContact CB-CD 4.44Å; F179-K192 PolarHBondContact O-N 3.05Å | ||
| 180 | M | 98.6 | Very high | 98.2 | Very high | 0 Ų | 0 | 48.8 Ų | 48.8 | 0% | 0 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -66 | 142.9 | 175.8 | -71.4 | -175 | 170.5 | 0 | 0 | 110.7 | I59 L119 I155 D157 F182 L188 F191 K192 | I59-M180 HydrophobicContact CD1-CE 4.45Å; I59-M180 HydrophobicContact CG1-CE 4.25Å; L119-M180 HydrophobicContact CD1-SD 4.47Å; L119-M180 HydrophobicContact CD2-SD 4.48Å; I155-M180 HydrophobicContact CD1-CE 4Å; I155-M180 HydrophobicContact CG2-CE 3.75Å; I155-M180 HydrophobicContact CG2-CG 4.02Å; I155-M180 HydrophobicContact CG2-SD 4.35Å; D157-M180 WeakPolarHBondContact OD2-CB 3.35Å; D157-M180 PolarHBondContact OD2-N 3.36Å; M180-F182 HydrophobicContact CB-CD2 4.28Å; M180-F182 HydrophobicContact CB-CE1 4.33Å; M180-F182 HydrophobicContact CB-CE2 3.47Å; M180-F182 VanDerWaalsContact CB-CE2 3.47Å; M180-F182 HydrophobicContact CB-CZ 3.49Å; M180-F182 VanDerWaalsContact CB-CZ 3.49Å; M180-F182 HydrophobicContact CG-CZ 4.22Å; M180-F182 HydrophobicContact SD-CE1 4.24Å; M180-F182 HydrophobicContact SD-CZ 3.7Å; M180-L188 HydrophobicContact CB-CD1 3.63Å; M180-L188 HydrophobicContact CE-CD2 4.16Å; M180-L188 HydrophobicContact CG-CD1 3.64Å; M180-L188 HydrophobicContact SD-CD1 3.9Å; M180-L188 HydrophobicContact SD-CD2 4.34Å; M180-F191 HydrophobicContact CE-CZ 4.26Å; M180-F191 HydrophobicContact CG-CD1 4.33Å; M180-F191 HydrophobicContact CG-CE1 3.75Å; M180-F191 HydrophobicContact CG-CZ 4.01Å; M180-K192 VanDerWaalsContact O-CE 3.27Å; M180-K192 WeakPolarHBondContact O-CE 3.38Å |
| 181 | D | 98.6 | Very high | 98.2 | Very high | 51 Ų | 51 | 49.1 Ų | 49.1 | 27% | 0.273 | 26% | 0.264 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.1 | 129.5 | 168.2 | -161.6 | 23.9 | 0 | 0 | 0 | 110 | K189 G190 K192 | D181-K189 HydrophobicContact CB-CG 4.44Å; D181-K189 WeakPolarHBondContact O-CG 3.42Å; D181-K189 PolarHBondContact O-N 3.1Å; D181-K189 WeakPolarHBondContact OD2-CE 3.47Å; D181-K189 IonicContact OD2-NZ 3.47Å; D181-K189 PolarHBondContact OD2-NZ 3.24Å; D181-G190 PolarHBondContact N-O 3.33Å; D181-G190 PolarHBondContact O-N 2.98Å; D181-K192 HydrophobicContact CB-CG 3.75Å; D181-K192 VanDerWaalsContact OD1-CE 3.29Å; D181-K192 WeakPolarHBondContact OD1-CE 3.39Å |
| 182 | F | 98.5 | Very high | 98.1 | Very high | 24 Ų | 24 | 48.8 Ų | 48.8 | 11% | 0.105 | 25% | 0.25 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.3 | 147.2 | -175.5 | -61.1 | -85 | 0 | 0 | 0 | 109.9 | K116 L119 M180 G186 V187 L188 K189 | K116-F182 HydrophobicContact CB-CD1 3.7Å; K116-F182 HydrophobicContact CB-CD2 4.23Å; K116-F182 HydrophobicContact CB-CE1 3.54Å; K116-F182 HydrophobicContact CB-CE2 4.06Å; K116-F182 HydrophobicContact CB-CG 4.06Å; K116-F182 HydrophobicContact CB-CZ 3.73Å; K116-F182 HydrophobicContact CD-CD2 3.77Å; K116-F182 HydrophobicContact CD-CE2 3.75Å; K116-F182 HydrophobicContact CD-CG 4.27Å; K116-F182 HydrophobicContact CD-CZ 4.26Å; K116-F182 HydrophobicContact CG-CD1 4.46Å; K116-F182 HydrophobicContact CG-CD2 4.16Å; K116-F182 HydrophobicContact CG-CE1 4.13Å; K116-F182 HydrophobicContact CG-CE2 3.77Å; K116-F182 HydrophobicContact CG-CG 4.49Å; K116-F182 HydrophobicContact CG-CZ 3.76Å; L119-F182 HydrophobicContact CD1-CZ 4.09Å; M180-F182 HydrophobicContact CB-CD2 4.28Å; M180-F182 HydrophobicContact CB-CE1 4.33Å; M180-F182 HydrophobicContact CB-CE2 3.47Å; M180-F182 VanDerWaalsContact CB-CE2 3.47Å; M180-F182 HydrophobicContact CB-CZ 3.49Å; M180-F182 VanDerWaalsContact CB-CZ 3.49Å; M180-F182 HydrophobicContact CG-CZ 4.22Å; M180-F182 HydrophobicContact SD-CE1 4.24Å; M180-F182 HydrophobicContact SD-CZ 3.7Å; F182-G186 WeakPolarHBondContact CD1-O 3.31Å; F182-V187 CarbonylContact C-O 3.52Å; F182-V187 VanDerWaalsContact CA-O 3.26Å; F182-V187 WeakPolarHBondContact CA-O 3.45Å; F182-L188 HydrophobicContact CD1-CB 4.35Å; F182-L188 HydrophobicContact CE1-CB 4.19Å; F182-K189 WeakPolarHBondContact O-CE 3.32Å; F182-K189 PolarHBondContact O-NZ 2.66Å |
| 183 | D | 98.1 | Very high | 97.9 | Very high | 58 Ų | 58 | 51.5 Ų | 51.5 | 31% | 0.31 | 28% | 0.284 | S | S | . | . | trans | -76 | -179.1 | 170.8 | 70.2 | 20.5 | 0 | 0 | 0 | 112.3 | T185 G186 V187 K189 | D183-T185 PolarHBondContact O-N 3.09Å; D183-T185 VanDerWaalsContact O-N 3.16Å; D183-T185 WeakPolarHBondContact OD1-CA 3.36Å; D183-T185 WeakPolarHBondContact OD1-CB 3.42Å; D183-T185 PolarHBondContact OD1-N 2.99Å; D183-T185 PolarHBondContact OD1-OG1 3.32Å; D183-T185 PolarHBondContact OD2-OG1 3.11Å; D183-G186 PolarHBondContact O-N 3.46Å; D183-G186 PolarHBondContact OD1-N 2.89Å; D183-V187 PolarHBondContact N-O 3.45Å; D183-V187 PolarHBondContact OD1-N 2.88Å; D183-K189 HydrophobicContact CB-CD 4.02Å | ||
| 184 | E | 97.3 | Very high | 97.7 | Very high | 207 Ų | 207 | 56.9 Ų | 56.9 | 97% | 0.967 | 31% | 0.308 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.1 | -21.8 | -179.6 | -61.2 | 178.9 | -174.1 | 0 | 0 | 113.2 | ||
| 185 | T | 96.9 | Very high | 97.6 | Very high | 114 Ų | 114 | 54.3 Ų | 54.3 | 70% | 0.699 | 30% | 0.298 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -92 | -2.3 | 177.5 | 73.1 | 0 | 0 | 0 | 0 | 112.8 | D183 | D183-T185 PolarHBondContact O-N 3.09Å; D183-T185 VanDerWaalsContact O-N 3.16Å; D183-T185 WeakPolarHBondContact OD1-CA 3.36Å; D183-T185 WeakPolarHBondContact OD1-CB 3.42Å; D183-T185 PolarHBondContact OD1-N 2.99Å; D183-T185 PolarHBondContact OD1-OG1 3.32Å; D183-T185 PolarHBondContact OD2-OG1 3.11Å |
| 186 | G | 97.8 | Very high | 97.5 | Very high | 22 Ų | 22 | 54.7 Ų | 54.7 | 23% | 0.227 | 30% | 0.3 | C | S | . | . | S | Bend | trans | 81.6 | 21.4 | -179.1 | 0 | 0 | 0 | 0 | 0 | 113.9 | P115 K116 F182 D183 | P115-G186 CarbonylContact C-O 3.57Å; P115-G186 WeakPolarHBondContact CA-O 3.43Å; K116-G186 PolarHBondContact N-O 3.41Å; F182-G186 WeakPolarHBondContact CD1-O 3.31Å; D183-G186 PolarHBondContact O-N 3.46Å; D183-G186 PolarHBondContact OD1-N 2.89Å |
| 187 | V | 98.4 | Very high | 97.4 | Very high | 36 Ų | 36 | 53.9 Ų | 53.9 | 22% | 0.218 | 30% | 0.295 | C | S | . | . | B | Isolated β-bridge | trans | -98.4 | 138.6 | 177.8 | 173.6 | 0 | 0 | 0 | 0 | 110.6 | A113 F182 D183 K189 | A113-V187 HydrophobicContact CB-CG1 3.75Å; F182-V187 CarbonylContact C-O 3.52Å; F182-V187 VanDerWaalsContact CA-O 3.26Å; F182-V187 WeakPolarHBondContact CA-O 3.45Å; D183-V187 PolarHBondContact N-O 3.45Å; D183-V187 PolarHBondContact OD1-N 2.88Å; V187-K189 PolarHBondContact O-N 3.16Å |
| 188 | L | 98.6 | Very high | 97.1 | Very high | 5 Ų | 5 | 54 Ų | 54 | 3% | 0.026 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -58.8 | 120.5 | 179.5 | 177.5 | 66.5 | 0 | 0 | 0 | 110.6 | L109 V110 L114 M180 F182 G190 F191 | L109-L188 HydrophobicContact CB-CD2 4.1Å; V110-L188 HydrophobicContact CG2-CD2 4.2Å; V110-L188 HydrophobicContact CG2-CG 4.02Å; L114-L188 HydrophobicContact CB-CB 4.06Å; L114-L188 HydrophobicContact CB-CD2 4.28Å; L114-L188 HydrophobicContact CD1-CD2 3.94Å; L114-L188 HydrophobicContact CG-CD2 4.45Å; L114-L188 WeakPolarHBondContact O-CB 3.45Å; L114-L188 PolarHBondContact O-N 3.25Å; M180-L188 HydrophobicContact CB-CD1 3.63Å; M180-L188 HydrophobicContact CE-CD2 4.16Å; M180-L188 HydrophobicContact CG-CD1 3.64Å; M180-L188 HydrophobicContact SD-CD1 3.9Å; M180-L188 HydrophobicContact SD-CD2 4.34Å; F182-L188 HydrophobicContact CD1-CB 4.35Å; F182-L188 HydrophobicContact CE1-CB 4.19Å; L188-G190 WeakPolarHBondContact CD1-O 3.36Å; L188-F191 HydrophobicContact CD1-CE2 4.47Å |
| 189 | K | 98.3 | Very high | 96.7 | Very high | 114 Ų | 114 | 55.3 Ų | 55.3 | 50% | 0.496 | 30% | 0.301 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.2 | -14.9 | 176.6 | 68.2 | 175.9 | -175.7 | -167.4 | 0 | 113.7 | D181 F182 D183 V187 | D181-K189 HydrophobicContact CB-CG 4.44Å; D181-K189 WeakPolarHBondContact O-CG 3.42Å; D181-K189 PolarHBondContact O-N 3.1Å; D181-K189 WeakPolarHBondContact OD2-CE 3.47Å; D181-K189 IonicContact OD2-NZ 3.47Å; D181-K189 PolarHBondContact OD2-NZ 3.24Å; F182-K189 WeakPolarHBondContact O-CE 3.32Å; F182-K189 PolarHBondContact O-NZ 2.66Å; D183-K189 HydrophobicContact CB-CD 4.02Å; V187-K189 PolarHBondContact O-N 3.16Å |
| 190 | G | 98.1 | Very high | 96.5 | Very high | 18 Ų | 18 | 53.5 Ų | 53.5 | 19% | 0.186 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 174.8 | -161.2 | -178.1 | 0 | 0 | 0 | 0 | 0 | 112.7 | D181 L188 | D181-G190 PolarHBondContact N-O 3.33Å; D181-G190 PolarHBondContact O-N 2.98Å; L188-G190 WeakPolarHBondContact CD1-O 3.36Å |
| 191 | F | 98.3 | Very high | 96.1 | Very high | 45 Ų | 45 | 53.7 Ų | 53.7 | 20% | 0.197 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.3 | 146.6 | 175.6 | -74.1 | -100.5 | 0 | 0 | 0 | 109.4 | H106 I155 N178 F179 M180 L188 | H106-F191 HydrophobicContact CB-CD2 3.75Å; H106-F191 HydrophobicContact CB-CE2 3.51Å; H106-F191 HydrophobicContact CB-CZ 4.35Å; H106-F191 AromaticContact CD2-CE2 3.57Å; H106-F191 AromaticContact CD2-CZ 3.5Å; H106-F191 AromaticContact CG-CD2 3.66Å; H106-F191 AromaticContact CG-CE2 3.42Å; H106-F191 VanDerWaalsContact CG-CE2 3.42Å; H106-F191 AromaticContact CG-CZ 3.84Å; H106-F191 AromaticContact ND1-CD2 3.69Å; H106-F191 AromaticContact ND1-CE2 3.89Å; H106-F191 AromaticContact ND1-CG 3.91Å; H106-F191 AromaticContact NE2-CE1 3.79Å; H106-F191 AromaticContact NE2-CZ 3.71Å; I155-F191 HydrophobicContact CG1-CE1 4.25Å; I155-F191 HydrophobicContact CG2-CE1 4.25Å; N178-F191 HydrophobicContact CB-CD1 3.91Å; N178-F191 HydrophobicContact CB-CE1 4.39Å; F179-F191 CarbonylContact O-C 3.52Å; F179-F191 WeakPolarHBondContact O-CA 3.43Å; M180-F191 HydrophobicContact CE-CZ 4.26Å; M180-F191 HydrophobicContact CG-CD1 4.33Å; M180-F191 HydrophobicContact CG-CE1 3.75Å; M180-F191 HydrophobicContact CG-CZ 4.01Å; L188-F191 HydrophobicContact CD1-CE2 4.47Å |
| 192 | K | 96.7 | Very high | 95.8 | Very high | 114 Ų | 114 | 53.9 Ų | 53.9 | 50% | 0.496 | 29% | 0.294 | S | S | . | . | trans | -85.5 | 148.5 | -174.1 | -62.9 | 179.7 | -179.6 | 170.4 | 0 | 111.4 | F179 M180 D181 | F179-K192 HydrophobicContact CB-CD 4.44Å; F179-K192 PolarHBondContact O-N 3.05Å; M180-K192 VanDerWaalsContact O-CE 3.27Å; M180-K192 WeakPolarHBondContact O-CE 3.38Å; D181-K192 HydrophobicContact CB-CG 3.75Å; D181-K192 VanDerWaalsContact OD1-CE 3.29Å; D181-K192 WeakPolarHBondContact OD1-CE 3.39Å | ||
| 193 | G | 94 | Very high | 95.1 | Very high | 79 Ų | 79 | 55.2 Ų | 55.2 | 81% | 0.814 | 30% | 0.302 | S | S | * | . | S | Bend | trans | 66.2 | -151.8 | 173.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | ||
| 194 | E | 94.1 | Very high | 94.3 | Very high | 124 Ų | 124 | 52.9 Ų | 52.9 | 58% | 0.579 | 29% | 0.291 | S | S | * | . | S | Bend | trans | -95.9 | 142.7 | 178.8 | -67.3 | -166.4 | -142.1 | 0 | 0 | 111.2 | I196 R207 | E194-I196 PolarHBondContact O-N 2.9Å; E194-R207 IonicContact OE1-CZ 3.81Å; E194-R207 IonicContact OE1-NH1 2.8Å; E194-R207 PolarHBondContact OE1-NH1 3.09Å; E194-R207 IonicContact OE1-NH2 2.65Å; E194-R207 PolarHBondContact OE1-NH2 3.43Å; E194-R207 VanDerWaalsContact OE1-NH2 3.13Å; E194-R207 IonicContact OE2-CZ 2.77Å; E194-R207 IonicContact OE2-NH1 3.2Å; E194-R207 PolarHBondContact OE2-NH1 2.83Å; E194-R207 IonicContact OE2-NH2 2.62Å; E194-R207 PolarHBondContact OE2-NH2 2.92Å |
| 195 | L | 96.3 | Very high | 93.5 | Very high | 43 Ų | 43 | 43 Ų | 43 | 23% | 0.225 | 25% | 0.245 | C | C | . | . | P | Polyproline II helix | trans | -57.6 | 130.2 | 179.7 | 173.3 | 66.1 | 0 | 0 | 0 | 110.9 | V99 Y102 N200 | V99-L195 HydrophobicContact CG1-CD2 4.41Å; Y102-L195 HydrophobicContact CD1-CD1 3.75Å; Y102-L195 HydrophobicContact CG-CD1 3.98Å; Y102-L195 HydrophobicContact CG-CD2 4.45Å; L195-N200 PolarHBondContact O-ND2 3.15Å |
| 196 | I | 96.8 | Very high | 92.7 | Very high | 15 Ų | 15 | 41.3 Ų | 41.3 | 8% | 0.077 | 23% | 0.231 | C | C | . | . | P | Polyproline II helix | trans | -102.6 | 121.5 | 166 | -60.1 | 156.1 | 0 | 0 | 0 | 107.6 | F151 A153 V176 N178 E194 N200 K201 | F151-I196 HydrophobicContact CD2-CG2 4.38Å; F151-I196 HydrophobicContact CE2-CD1 3.83Å; F151-I196 HydrophobicContact CE2-CG1 4.11Å; F151-I196 HydrophobicContact CE2-CG2 3.68Å; F151-I196 HydrophobicContact CZ-CG2 4.45Å; A153-I196 HydrophobicContact CB-CG2 4.15Å; V176-I196 HydrophobicContact CG1-CD1 3.93Å; N178-I196 PolarHBondContact ND2-O 3.32Å; N178-I196 PolarHBondContact OD1-N 3.41Å; N178-I196 PolarHBondContact OD1-O 2.96Å; E194-I196 PolarHBondContact O-N 2.9Å; I196-N200 WeakPolarHBondContact CA-OD1 3.42Å; I196-K201 HydrophobicContact CG2-CG 4.33Å |
| 197 | H | 94.9 | Very high | 92.1 | Very high | 1 Ų | 1 | 46.3 Ų | 46.3 | 1% | 0.005 | 24% | 0.243 | C | C | . | . | trans | -126.1 | 173.7 | 170.9 | 64.9 | 84.1 | 0 | 0 | 0 | 110.1 | Y95 M98 Y102 F199 N200 | Y95-H197 AromaticContact CD1-NE2 3.98Å; Y95-H197 AromaticContact CD2-CE1 3.63Å; Y95-H197 AromaticContact CE1-NE2 3.53Å; Y95-H197 AromaticContact CE2-CE1 3.58Å; Y95-H197 AromaticContact CE2-NE2 3.63Å; Y95-H197 AromaticContact CG-CE1 3.93Å; Y95-H197 AromaticContact CZ-CE1 3.8Å; Y95-H197 AromaticContact CZ-NE2 3.35Å; Y95-H197 VanDerWaalsContact CZ-NE2 3.35Å; M98-H197 HydrophobicContact CB-CB 4.19Å; Y102-H197 HydrophobicContact CD2-CB 3.94Å; Y102-H197 HydrophobicContact CE2-CB 3.81Å; Y102-H197 HydrophobicContact CG-CB 4.41Å; H197-F199 PolarHBondContact ND1-N 2.96Å; H197-F199 PolarHBondContact O-N 2.99Å; H197-N200 VanDerWaalsContact CD2-CG 3.45Å; H197-N200 PolarHBondContact CD2-ND2 3.22Å; H197-N200 VanDerWaalsContact CD2-ND2 3.33Å; H197-N200 PolarHBondContact N-OD1 2.89Å; H197-N200 PolarHBondContact NE2-ND2 3.33Å; H197-N200 PolarHBondContact O-N 2.86Å; H197-N200 PolarHBondContact O-OD1 3.4Å | ||
| 198 | V | 91.3 | Very high | 91.4 | Very high | 12 Ų | 12 | 46.3 Ų | 46.3 | 7% | 0.073 | 24% | 0.242 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -53.5 | -26 | -173.1 | 64.6 | 0 | 0 | 0 | 0 | 114.9 | E84 M98 G229 | E84-V198 HydrophobicContact CG-CG1 4.12Å; M98-V198 HydrophobicContact CG-CG1 3.97Å; M98-V198 HydrophobicContact SD-CG1 3.92Å; V198-G229 WeakPolarHBondContact O-CA 3.41Å |
| 199 | F | 91.4 | Very high | 90.5 | Very high | 31 Ų | 31 | 49 Ų | 49 | 14% | 0.136 | 26% | 0.259 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -108.7 | -0.2 | -174 | -59.3 | -49 | 0 | 0 | 0 | 115.6 | E84 V91 K94 Y95 M98 H197 | E84-F199 HydrophobicContact CG-CE2 4.32Å; E84-F199 HydrophobicContact CG-CZ 4.07Å; V91-F199 HydrophobicContact CG1-CB 3.79Å; V91-F199 HydrophobicContact CG1-CD1 3.84Å; V91-F199 HydrophobicContact CG1-CG 3.83Å; V91-F199 HydrophobicContact CG2-CD1 4.42Å; K94-F199 HydrophobicContact CB-CD2 3.95Å; K94-F199 HydrophobicContact CB-CE2 3.55Å; K94-F199 HydrophobicContact CB-CZ 4.36Å; K94-F199 HydrophobicContact CD-CE2 3.81Å; K94-F199 HydrophobicContact CD-CZ 3.81Å; K94-F199 HydrophobicContact CG-CE2 4.33Å; Y95-F199 HydrophobicContact CD2-CB 4.37Å; M98-F199 HydrophobicContact CG-CD2 3.52Å; M98-F199 HydrophobicContact CG-CE2 3.62Å; M98-F199 HydrophobicContact SD-CE2 4.2Å; H197-F199 PolarHBondContact ND1-N 2.96Å; H197-F199 PolarHBondContact O-N 2.99Å |
| 200 | N | 92.9 | Very high | 89.8 | Confident | 11 Ų | 11 | 50.5 Ų | 50.5 | 6% | 0.059 | 27% | 0.268 | C | S | . | . | trans | -117.8 | 17 | -178.4 | 78.8 | -12.8 | 0 | 0 | 0 | 114.1 | Y95 L195 I196 H197 H202 D203 G204 | Y95-N200 HydrophobicContact CE2-CB 3.61Å; Y95-N200 WeakPolarHBondContact OH-CB 3.18Å; L195-N200 PolarHBondContact O-ND2 3.15Å; I196-N200 WeakPolarHBondContact CA-OD1 3.42Å; H197-N200 VanDerWaalsContact CD2-CG 3.45Å; H197-N200 PolarHBondContact CD2-ND2 3.22Å; H197-N200 VanDerWaalsContact CD2-ND2 3.33Å; H197-N200 PolarHBondContact N-OD1 2.89Å; H197-N200 PolarHBondContact NE2-ND2 3.33Å; H197-N200 PolarHBondContact O-N 2.86Å; H197-N200 PolarHBondContact O-OD1 3.4Å; N200-H202 PolarHBondContact O-N 3.25Å; N200-H202 VanDerWaalsContact O-N 3.13Å; N200-D203 WeakPolarHBondContact O-CB 3.16Å; N200-D203 PolarHBondContact O-N 2.8Å; N200-G204 PolarHBondContact O-N 3.47Å | ||
| 201 | K | 91.9 | Very high | 89.4 | Confident | 3 Ų | 3 | 51.5 Ų | 51.5 | 1% | 0.013 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -59.1 | -25.9 | 176.6 | -65.7 | -163.2 | -178.9 | -175.5 | 0 | 112.9 | D37 F151 I196 D203 G204 A205 D230 M233 | D37-K201 VanDerWaalsContact CG-NZ 3.31Å; D37-K201 IonicContact OD1-NZ 2.69Å; D37-K201 PolarHBondContact OD1-NZ 3.35Å; F151-K201 HydrophobicContact CD1-CB 4.4Å; F151-K201 HydrophobicContact CE1-CB 3.83Å; F151-K201 HydrophobicContact CE1-CG 4.38Å; F151-K201 WeakPolarHBondContact CE1-O 3.48Å; F151-K201 HydrophobicContact CE2-CG 4.38Å; F151-K201 HydrophobicContact CZ-CB 3.91Å; F151-K201 HydrophobicContact CZ-CG 4.17Å; F151-K201 VanDerWaalsContact CZ-O 3.29Å; F151-K201 WeakPolarHBondContact CZ-O 3.25Å; F151-K201 WeakPolarHBondContact O-CE 3.42Å; F151-K201 PolarHBondContact O-NZ 3.13Å; I196-K201 HydrophobicContact CG2-CG 4.33Å; K201-D203 VanDerWaalsContact C-N 3.34Å; K201-D203 PolarHBondContact O-N 3.49Å; K201-G204 PolarHBondContact O-N 3.41Å; K201-A205 WeakPolarHBondContact O-CB 3.44Å; K201-A205 PolarHBondContact O-N 2.97Å; K201-D230 VanDerWaalsContact CE-OD1 3.29Å; K201-D230 WeakPolarHBondContact CE-OD1 3.4Å; K201-D230 IonicContact NZ-OD1 3.44Å; K201-D230 PolarHBondContact NZ-OD1 3.2Å; K201-M233 HydrophobicContact CB-CG 4.06Å; K201-M233 HydrophobicContact CD-CG 3.51Å; K201-M233 HydrophobicContact CD-SD 3.67Å; K201-M233 HydrophobicContact CG-CG 4.43Å; K201-M233 PolarHBondContact NZ-SD 2.93Å; K201-M233 VanDerWaalsContact NZ-SD 3.45Å |
| 202 | H | 90.5 | Very high | 89 | Confident | 56 Ų | 56 | 49.4 Ų | 49.4 | 26% | 0.259 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -51.1 | -51 | 168.4 | 174.8 | 62.5 | 0 | 0 | 0 | 112.5 | N200 G204 A205 L206 R232 D235 | N200-H202 PolarHBondContact O-N 3.25Å; N200-H202 VanDerWaalsContact O-N 3.13Å; H202-G204 PolarHBondContact O-N 3.41Å; H202-A205 WeakPolarHBondContact O-CB 3.38Å; H202-A205 PolarHBondContact O-N 3.12Å; H202-L206 VanDerWaalsContact CE1-CD1 3.45Å; H202-L206 WeakPolarHBondContact CE1-CD1 3.49Å; H202-L206 WeakPolarHBondContact NE2-CD1 3.19Å; H202-L206 WeakPolarHBondContact O-CG 3.46Å; H202-L206 PolarHBondContact O-N 3.32Å; H202-L206 VanDerWaalsContact O-N 3.12Å; H202-R232 HydrophobicContact CB-CB 4.06Å; H202-R232 PolarHBondContact ND1-NH2 3.34Å; H202-R232 VanDerWaalsContact ND1-NH2 3.11Å; H202-D235 IonicContact CE1-OD2 2.69Å; H202-D235 IonicContact CG-OD2 2.83Å; H202-D235 WeakPolarHBondContact ND1-CB 3.29Å; H202-D235 IonicContact ND1-OD2 2.75Å; H202-D235 PolarHBondContact ND1-OD2 3.38Å |
| 203 | D | 84.1 | Confident | 88.6 | Confident | 52 Ų | 52 | 48.5 Ų | 48.5 | 28% | 0.278 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -65.1 | -43.3 | -175.5 | -58 | -31.3 | 0 | 0 | 0 | 111 | N200 K201 L206 R207 | N200-D203 WeakPolarHBondContact O-CB 3.16Å; N200-D203 PolarHBondContact O-N 2.8Å; K201-D203 VanDerWaalsContact C-N 3.34Å; K201-D203 PolarHBondContact O-N 3.49Å; D203-L206 PolarHBondContact O-N 3.49Å; D203-R207 WeakPolarHBondContact O-CG 3.41Å; D203-R207 PolarHBondContact O-N 3.46Å; D203-R207 VanDerWaalsContact O-N 3.14Å |
| 204 | G | 81.1 | Confident | 88.5 | Confident | 8 Ų | 8 | 51.1 Ų | 51.1 | 8% | 0.082 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -67.9 | -33.9 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.8 | N200 K201 H202 L206 R207 N208 | N200-G204 PolarHBondContact O-N 3.47Å; K201-G204 PolarHBondContact O-N 3.41Å; H202-G204 PolarHBondContact O-N 3.41Å; G204-L206 PolarHBondContact O-N 2.91Å; G204-R207 PolarHBondContact O-N 3.22Å; G204-N208 PolarHBondContact O-N 2.89Å; G204-N208 PolarHBondContact O-ND2 3Å |
| 205 | A | 80.4 | Confident | 88.4 | Confident | 0 Ų | 0 | 46.4 Ų | 46.4 | 0% | 0 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -61.2 | -45.8 | 174.2 | 0 | 0 | 0 | 0 | 0 | 110.8 | F151 K201 H202 R207 N208 F212 D235 | F151-A205 HydrophobicContact CE1-CB 4.07Å; K201-A205 WeakPolarHBondContact O-CB 3.44Å; K201-A205 PolarHBondContact O-N 2.97Å; H202-A205 WeakPolarHBondContact O-CB 3.38Å; H202-A205 PolarHBondContact O-N 3.12Å; A205-R207 VanDerWaalsContact C-N 3.28Å; A205-R207 PolarHBondContact O-N 3.48Å; A205-N208 PolarHBondContact O-N 3.35Å; A205-F212 WeakPolarHBondContact O-CE2 3.32Å; A205-D235 HydrophobicContact CB-CB 4.37Å |
| 206 | L | 79.8 | Confident | 88.2 | Confident | 78 Ų | 78 | 50.4 Ų | 50.4 | 41% | 0.408 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -67 | -25.4 | 178.4 | -66.3 | -180 | 0 | 0 | 0 | 113.8 | H202 D203 G204 N208 T209 | H202-L206 VanDerWaalsContact CE1-CD1 3.45Å; H202-L206 WeakPolarHBondContact CE1-CD1 3.49Å; H202-L206 WeakPolarHBondContact NE2-CD1 3.19Å; H202-L206 WeakPolarHBondContact O-CG 3.46Å; H202-L206 PolarHBondContact O-N 3.32Å; H202-L206 VanDerWaalsContact O-N 3.12Å; D203-L206 PolarHBondContact O-N 3.49Å; G204-L206 PolarHBondContact O-N 2.91Å; L206-N208 VanDerWaalsContact C-N 3.32Å; L206-T209 WeakPolarHBondContact O-CG2 3.42Å; L206-T209 PolarHBondContact O-OG1 2.8Å |
| 207 | R | 86.6 | Confident | 88.1 | Confident | 128 Ų | 128 | 55 Ų | 55 | 48% | 0.483 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -76.8 | -19.3 | 175.3 | -72.6 | 168.7 | -171.8 | 172.8 | -1.9 | 113.8 | E194 D203 G204 A205 T209 | E194-R207 IonicContact OE1-CZ 3.81Å; E194-R207 IonicContact OE1-NH1 2.8Å; E194-R207 PolarHBondContact OE1-NH1 3.09Å; E194-R207 IonicContact OE1-NH2 2.65Å; E194-R207 PolarHBondContact OE1-NH2 3.43Å; E194-R207 VanDerWaalsContact OE1-NH2 3.13Å; E194-R207 IonicContact OE2-CZ 2.77Å; E194-R207 IonicContact OE2-NH1 3.2Å; E194-R207 PolarHBondContact OE2-NH1 2.83Å; E194-R207 IonicContact OE2-NH2 2.62Å; E194-R207 PolarHBondContact OE2-NH2 2.92Å; D203-R207 WeakPolarHBondContact O-CG 3.41Å; D203-R207 PolarHBondContact O-N 3.46Å; D203-R207 VanDerWaalsContact O-N 3.14Å; G204-R207 PolarHBondContact O-N 3.22Å; A205-R207 VanDerWaalsContact C-N 3.28Å; A205-R207 PolarHBondContact O-N 3.48Å; R207-T209 VanDerWaalsContact C-N 3.28Å; R207-T209 PolarHBondContact O-N 3.09Å |
| 208 | N | 84.4 | Confident | 88.2 | Confident | 35 Ų | 35 | 56 Ų | 56 | 19% | 0.187 | 27% | 0.273 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -95.6 | 26.1 | 177.7 | -71.8 | -81.5 | 0 | 0 | 0 | 112 | F149 G204 A205 L206 E210 Y211 F212 | F149-N208 HydrophobicContact CE2-CB 4.38Å; F149-N208 HydrophobicContact CZ-CB 4.13Å; G204-N208 PolarHBondContact O-N 2.89Å; G204-N208 PolarHBondContact O-ND2 3Å; A205-N208 PolarHBondContact O-N 3.35Å; L206-N208 VanDerWaalsContact C-N 3.32Å; N208-E210 PolarHBondContact O-N 3.41Å; N208-Y211 WeakPolarHBondContact O-CB 3.42Å; N208-Y211 PolarHBondContact O-N 2.91Å; N208-F212 HydrophobicContact CB-CD2 4.27Å; N208-F212 HydrophobicContact CB-CE2 3.99Å; N208-F212 WeakPolarHBondContact O-CD2 3.47Å; N208-F212 PolarHBondContact O-N 3.34Å; N208-F212 VanDerWaalsContact O-N 3.09Å |
| 209 | T | 78.3 | Confident | 88.5 | Confident | 62 Ų | 62 | 55.6 Ų | 55.6 | 38% | 0.38 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -56.9 | -33.3 | 178.4 | 38.7 | 0 | 0 | 0 | 0 | 113 | L206 R207 Y211 F212 N213 | L206-T209 WeakPolarHBondContact O-CG2 3.42Å; L206-T209 PolarHBondContact O-OG1 2.8Å; R207-T209 VanDerWaalsContact C-N 3.28Å; R207-T209 PolarHBondContact O-N 3.09Å; T209-Y211 PolarHBondContact O-N 2.77Å; T209-F212 PolarHBondContact O-N 3.08Å; T209-N213 WeakPolarHBondContact O-CB 3.36Å; T209-N213 PolarHBondContact O-N 3.26Å; T209-N213 PolarHBondContact O-ND2 2.86Å; T209-N213 VanDerWaalsContact O-ND2 3.07Å |
| 210 | E | 84.3 | Confident | 88.9 | Confident | 146 Ų | 146 | 54.1 Ų | 54.1 | 68% | 0.682 | 26% | 0.264 | S | S | * | . | H | α-helix | trans | -61 | -44.2 | 174.7 | -170.8 | 179.8 | 177.4 | 0 | 0 | 111.9 | N208 N213 Q214 | N208-E210 PolarHBondContact O-N 3.41Å; E210-N213 PolarHBondContact O-N 3.44Å; E210-Q214 WeakPolarHBondContact O-CG 3.29Å; E210-Q214 PolarHBondContact O-N 3.15Å |
| 211 | Y | 90.4 | Very high | 89.1 | Confident | 38 Ų | 38 | 53.6 Ų | 53.6 | 15% | 0.149 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -62.3 | -49.5 | 175.4 | 174.9 | -96.1 | 0 | 0 | 0 | 111.1 | F149 K174 N208 T209 N213 Q214 L215 | F149-Y211 HydrophobicContact CB-CE1 3.92Å; F149-Y211 AromaticContact CD2-CD1 3.69Å; F149-Y211 HydrophobicContact CD2-CD1 3.69Å; F149-Y211 AromaticContact CD2-CE1 3.35Å; F149-Y211 HydrophobicContact CD2-CE1 3.35Å; F149-Y211 HydrophobicContact CD2-CE2 4.49Å; F149-Y211 HydrophobicContact CD2-CG 4.39Å; F149-Y211 AromaticContact CD2-CZ 3.8Å; F149-Y211 AromaticContact CE2-CD1 3.96Å; F149-Y211 HydrophobicContact CE2-CD1 3.96Å; F149-Y211 HydrophobicContact CE2-CE1 4.11Å; F149-Y211 HydrophobicContact CE2-CG 4.45Å; F149-Y211 HydrophobicContact CG-CD1 4.49Å; F149-Y211 AromaticContact CG-CE1 3.91Å; F149-Y211 HydrophobicContact CG-CE1 3.91Å; K174-Y211 HydrophobicContact CB-CE2 3.89Å; K174-Y211 HydrophobicContact CG-CD2 4.26Å; K174-Y211 HydrophobicContact CG-CE2 3.98Å; N208-Y211 WeakPolarHBondContact O-CB 3.42Å; N208-Y211 PolarHBondContact O-N 2.91Å; T209-Y211 PolarHBondContact O-N 2.77Å; Y211-N213 VanDerWaalsContact C-N 3.31Å; Y211-N213 PolarHBondContact O-N 3.34Å; Y211-Q214 WeakPolarHBondContact O-CB 3.45Å; Y211-Q214 PolarHBondContact O-N 3.27Å; Y211-L215 HydrophobicContact CD1-CD1 4.19Å; Y211-L215 HydrophobicContact CE1-CD1 3.49Å; Y211-L215 VanDerWaalsContact CE1-CD1 3.49Å; Y211-L215 HydrophobicContact CE2-CD1 4.13Å; Y211-L215 VanDerWaalsContact CZ-CD1 3.46Å; Y211-L215 PolarHBondContact O-N 3.17Å |
| 212 | F | 88.9 | Confident | 89.5 | Confident | 1 Ų | 1 | 53.6 Ų | 53.6 | 0% | 0.004 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -67.8 | -30 | -179.3 | -66.9 | -60.9 | 0 | 0 | 0 | 113.4 | I35 F149 A205 N208 T209 Q214 L215 K216 G236 V237 | I35-F212 HydrophobicContact CD1-CE1 3.83Å; I35-F212 HydrophobicContact CD1-CZ 4.29Å; I35-F212 HydrophobicContact CG1-CE1 4.49Å; F149-F212 HydrophobicContact CD1-CZ 4.09Å; F149-F212 AromaticContact CE1-CZ 3.99Å; F149-F212 HydrophobicContact CE1-CZ 3.99Å; F149-F212 HydrophobicContact CG-CZ 4.42Å; F149-F212 HydrophobicContact CZ-CZ 4.25Å; A205-F212 WeakPolarHBondContact O-CE2 3.32Å; N208-F212 HydrophobicContact CB-CD2 4.27Å; N208-F212 HydrophobicContact CB-CE2 3.99Å; N208-F212 WeakPolarHBondContact O-CD2 3.47Å; N208-F212 PolarHBondContact O-N 3.34Å; N208-F212 VanDerWaalsContact O-N 3.09Å; T209-F212 PolarHBondContact O-N 3.08Å; F212-Q214 VanDerWaalsContact C-N 3.33Å; F212-L215 CarbonylContact O-C 3.6Å; F212-L215 VanDerWaalsContact O-C 3.28Å; F212-L215 PolarHBondContact O-N 2.87Å; F212-L215 VanDerWaalsContact O-N 3.11Å; F212-K216 PolarHBondContact O-N 2.98Å; F212-G236 WeakPolarHBondContact CB-O 3.39Å; F212-G236 WeakPolarHBondContact CD2-O 3.2Å; F212-G236 WeakPolarHBondContact CG-O 3.5Å; F212-V237 HydrophobicContact CD1-CG2 3.85Å; F212-V237 HydrophobicContact CE1-CG2 3.88Å |
| 213 | N | 88.4 | Confident | 89.9 | Confident | 95 Ų | 95 | 50.9 Ų | 50.9 | 51% | 0.508 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -68.4 | -33.2 | 174.8 | -75.8 | -26.4 | 0 | 0 | 0 | 112.2 | T209 E210 Y211 L215 K216 | T209-N213 WeakPolarHBondContact O-CB 3.36Å; T209-N213 PolarHBondContact O-N 3.26Å; T209-N213 PolarHBondContact O-ND2 2.86Å; T209-N213 VanDerWaalsContact O-ND2 3.07Å; E210-N213 PolarHBondContact O-N 3.44Å; Y211-N213 VanDerWaalsContact C-N 3.31Å; Y211-N213 PolarHBondContact O-N 3.34Å; N213-L215 PolarHBondContact O-N 3.03Å; N213-K216 PolarHBondContact O-N 2.99Å |
| 214 | Q | 90.9 | Very high | 90.6 | Very high | 135 Ų | 135 | 48.4 Ų | 48.4 | 63% | 0.631 | 24% | 0.235 | S | C | * | . | H | α-helix | trans | -66.9 | -25.6 | 171.8 | -67.3 | 170.7 | 15 | 0 | 0 | 111.7 | E210 Y211 F212 | E210-Q214 WeakPolarHBondContact O-CG 3.29Å; E210-Q214 PolarHBondContact O-N 3.15Å; Y211-Q214 WeakPolarHBondContact O-CB 3.45Å; Y211-Q214 PolarHBondContact O-N 3.27Å; F212-Q214 VanDerWaalsContact C-N 3.33Å |
| 215 | L | 92.6 | Very high | 91.4 | Very high | 24 Ų | 24 | 48 Ų | 48 | 13% | 0.126 | 23% | 0.232 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -104.6 | 23.8 | -180 | -57.5 | -175.8 | 0 | 0 | 0 | 113.5 | P147 Y211 F212 N213 D217 N218 | P147-L215 HydrophobicContact CB-CD1 3.54Å; P147-L215 HydrophobicContact CB-CD2 4.15Å; P147-L215 HydrophobicContact CG-CD1 3.9Å; P147-L215 HydrophobicContact CG-CD2 3.64Å; P147-L215 HydrophobicContact CG-CG 4.41Å; Y211-L215 HydrophobicContact CD1-CD1 4.19Å; Y211-L215 HydrophobicContact CE1-CD1 3.49Å; Y211-L215 VanDerWaalsContact CE1-CD1 3.49Å; Y211-L215 HydrophobicContact CE2-CD1 4.13Å; Y211-L215 VanDerWaalsContact CZ-CD1 3.46Å; Y211-L215 PolarHBondContact O-N 3.17Å; F212-L215 CarbonylContact O-C 3.6Å; F212-L215 VanDerWaalsContact O-C 3.28Å; F212-L215 PolarHBondContact O-N 2.87Å; F212-L215 VanDerWaalsContact O-N 3.11Å; N213-L215 PolarHBondContact O-N 3.03Å; L215-D217 PolarHBondContact O-N 2.98Å; L215-D217 VanDerWaalsContact O-N 3.08Å; L215-N218 HydrophobicContact CB-CB 4.26Å; L215-N218 WeakPolarHBondContact O-CA 3.47Å; L215-N218 WeakPolarHBondContact O-CB 3.41Å; L215-N218 PolarHBondContact O-N 3.34Å |
| 216 | K | 92.3 | Very high | 92.3 | Very high | 127 Ų | 127 | 49.6 Ų | 49.6 | 55% | 0.552 | 24% | 0.24 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -56.9 | -27.2 | -177.4 | 68.5 | -179.6 | -174.6 | 176.9 | 0 | 114.1 | F212 N213 | F212-K216 PolarHBondContact O-N 2.98Å; N213-K216 PolarHBondContact O-N 2.99Å |
| 217 | D | 94.8 | Very high | 93 | Very high | 112 Ų | 112 | 46.6 Ų | 46.6 | 60% | 0.599 | 23% | 0.225 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -83.6 | -18 | -179.7 | -61.2 | -32.5 | 0 | 0 | 0 | 111.3 | L215 S219 | L215-D217 PolarHBondContact O-N 2.98Å; L215-D217 VanDerWaalsContact O-N 3.08Å; D217-S219 PolarHBondContact O-N 2.93Å |
| 218 | N | 97.1 | Very high | 93.3 | Very high | 23 Ų | 23 | 42.4 Ų | 42.4 | 12% | 0.123 | 21% | 0.211 | C | C | . | . | trans | -79.7 | 60.5 | 174.1 | -57.7 | 83.8 | 0 | 0 | 0 | 110.9 | K31 L32 Q33 L215 N220 | K31-N218 CarbonylContact O-C 3.28Å; K31-N218 WeakPolarHBondContact O-CA 3.49Å; L32-N218 PolarHBondContact O-ND2 3.18Å; Q33-N218 HydrophobicContact CB-CB 3.95Å; Q33-N218 HydrophobicContact CG-CB 4.03Å; Q33-N218 PolarHBondContact NE2-O 3.26Å; L215-N218 HydrophobicContact CB-CB 4.26Å; L215-N218 WeakPolarHBondContact O-CA 3.47Å; L215-N218 WeakPolarHBondContact O-CB 3.41Å; L215-N218 PolarHBondContact O-N 3.34Å; N218-N220 PolarHBondContact O-N 3.09Å | ||
| 219 | S | 97.9 | Very high | 93.7 | Very high | 2 Ų | 2 | 41.1 Ų | 41.1 | 1% | 0.014 | 21% | 0.206 | C | C | . | . | trans | -76.1 | -1.3 | -174.2 | 57.1 | 0 | 0 | 0 | 0 | 115.2 | K31 D217 I221 N239 E241 H242 | K31-S219 PolarHBondContact O-N 2.93Å; D217-S219 PolarHBondContact O-N 2.93Å; S219-I221 WeakPolarHBondContact O-CD1 3.41Å; S219-N239 WeakPolarHBondContact CA-O 3.34Å; S219-E241 PolarHBondContact O-N 3.24Å; S219-E241 PolarHBondContact OG-OE1 3.5Å; S219-H242 PolarHBondContact O-N 2.78Å | ||
| 220 | N | 98.7 | Very high | 94.6 | Very high | 1 Ų | 1 | 38.2 Ų | 38.2 | 1% | 0.005 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.7 | 124.1 | 176.8 | -74.7 | -7.2 | 0 | 0 | 0 | 110.5 | G23 L24 K31 L32 Q33 N218 H242 | G23-N220 PolarHBondContact O-ND2 3.34Å; L24-N220 HydrophobicContact CD2-CB 3.67Å; K31-N220 HydrophobicContact CB-CB 4.11Å; K31-N220 WeakPolarHBondContact O-CA 3.49Å; K31-N220 WeakPolarHBondContact O-CB 3.39Å; K31-N220 PolarHBondContact O-N 2.86Å; L32-N220 CarbonylContact C-O 3.53Å; L32-N220 VanDerWaalsContact CA-O 3.32Å; L32-N220 WeakPolarHBondContact CA-O 3.29Å; Q33-N220 PolarHBondContact N-O 3.37Å; N218-N220 PolarHBondContact O-N 3.09Å; N220-H242 CarbonylContact C-O 3.53Å; N220-H242 VanDerWaalsContact CA-O 3.3Å; N220-H242 WeakPolarHBondContact CA-O 3.06Å; N220-H242 PolarHBondContact OD1-CD2 3.06Å |
| 221 | I | 98.8 | Very high | 95.2 | Very high | 0 Ų | 0 | 32.3 Ų | 32.3 | 0% | 0 | 16% | 0.161 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124 | 133.7 | -171.2 | -55.4 | 96.3 | 0 | 0 | 0 | 110.7 | Q33 I35 S219 V237 V240 H242 I243 L244 | Q33-I221 HydrophobicContact CG-CG1 3.82Å; Q33-I221 WeakPolarHBondContact O-CA 3.06Å; I35-I221 HydrophobicContact CB-CG2 4.37Å; I35-I221 HydrophobicContact CD1-CG2 3.98Å; I35-I221 HydrophobicContact CG1-CG2 4.1Å; S219-I221 WeakPolarHBondContact O-CD1 3.41Å; I221-V237 HydrophobicContact CD1-CG1 4.06Å; I221-V237 HydrophobicContact CG1-CG1 4.45Å; I221-V240 HydrophobicContact CD1-CB 4.15Å; I221-V240 HydrophobicContact CD1-CG1 3.76Å; I221-V240 HydrophobicContact CD1-CG2 3.8Å; I221-H242 PolarHBondContact N-O 2.63Å; I221-I243 HydrophobicContact CB-CB 4.32Å; I221-I243 HydrophobicContact CB-CD1 4.34Å; I221-I243 HydrophobicContact CB-CG1 4.05Å; I221-I243 HydrophobicContact CG2-CD1 4.25Å; I221-I243 HydrophobicContact CG2-CG1 4.27Å; I221-I243 WeakPolarHBondContact O-CA 3.33Å; I221-L244 PolarHBondContact O-N 2.59Å |
| 222 | I | 98.9 | Very high | 95.4 | Very high | 2 Ų | 2 | 35.9 Ų | 35.9 | 1% | 0.01 | 17% | 0.174 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.2 | 119.6 | 158.4 | -63.4 | 172.4 | 0 | 0 | 0 | 107.3 | L24 L32 Q33 I34 I35 L224 I246 I280 L281 I284 | L24-I222 HydrophobicContact CD1-CD1 4.27Å; L24-I222 HydrophobicContact CD1-CG1 3.89Å; L32-I222 HydrophobicContact CD1-CD1 4.17Å; L32-I222 HydrophobicContact CD1-CG1 4.11Å; Q33-I222 PolarHBondContact O-N 3.2Å; Q33-I222 VanDerWaalsContact O-N 3.16Å; I34-I222 HydrophobicContact CD1-CB 3.82Å; I34-I222 HydrophobicContact CD1-CD1 4.22Å; I34-I222 HydrophobicContact CD1-CG1 4.4Å; I35-I222 PolarHBondContact N-O 3.38Å; I222-L224 HydrophobicContact CG2-CD2 3.83Å; I222-L224 HydrophobicContact CG2-CG 4.3Å; I222-I246 HydrophobicContact CG2-CD1 4.31Å; I222-I280 HydrophobicContact CD1-CG2 4Å; I222-L281 HydrophobicContact CD1-CD2 3.95Å; I222-I284 HydrophobicContact CD1-CD1 4.01Å |
| 223 | L | 98.9 | Very high | 95.8 | Very high | 0 Ų | 0 | 35.9 Ų | 35.9 | 0% | 0 | 17% | 0.174 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.8 | 123.8 | 176.7 | -174.6 | 157.5 | 0 | 0 | 0 | 109.7 | I35 M233 A234 I243 L244 K245 I246 Y264 | I35-L223 CarbonylContact O-C 3.56Å; I35-L223 WeakPolarHBondContact O-CA 3.16Å; L223-M233 HydrophobicContact CD1-CB 4.44Å; L223-M233 HydrophobicContact CD2-CE 4.19Å; L223-M233 HydrophobicContact CG-CE 4.21Å; L223-A234 HydrophobicContact CD1-CB 3.93Å; L223-I243 HydrophobicContact CB-CD1 4.46Å; L223-I243 HydrophobicContact CD1-CD1 4.4Å; L223-L244 PolarHBondContact N-O 3Å; L223-K245 HydrophobicContact CB-CG 4.33Å; L223-I246 PolarHBondContact O-N 3.46Å; L223-Y264 HydrophobicContact CD2-CE1 4.2Å |
| 224 | L | 98.9 | Very high | 96.1 | Very high | 0 Ų | 0 | 31.9 Ų | 31.9 | 0% | 0 | 15% | 0.154 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.8 | 132.3 | 175 | -48.7 | 175.3 | 0 | 0 | 0 | 109.7 | I35 T36 D37 T41 F137 I222 M233 I246 A277 | I35-L224 PolarHBondContact O-N 3.05Å; T36-L224 WeakPolarHBondContact CA-O 3.24Å; T36-L224 WeakPolarHBondContact OG1-CB 3.32Å; D37-L224 PolarHBondContact N-O 3.22Å; T41-L224 HydrophobicContact CG2-CB 3.72Å; F137-L224 HydrophobicContact CE2-CD1 3.97Å; F137-L224 HydrophobicContact CZ-CD1 3.7Å; I222-L224 HydrophobicContact CG2-CD2 3.83Å; I222-L224 HydrophobicContact CG2-CG 4.3Å; L224-M233 VanDerWaalsContact O-CE 3.26Å; L224-M233 WeakPolarHBondContact O-CE 3.42Å; L224-I246 WeakPolarHBondContact CA-O 3.21Å; L224-I246 HydrophobicContact CD2-CB 3.68Å; L224-I246 HydrophobicContact CD2-CD1 3.8Å; L224-I246 HydrophobicContact CD2-CG1 4.02Å; L224-I246 HydrophobicContact CD2-CG2 4.34Å; L224-A277 HydrophobicContact CD2-CB 4.35Å |
| 225 | G | 98.7 | Very high | 96.2 | Very high | 0 Ų | 0 | 28.1 Ų | 28.1 | 0% | 0 | 14% | 0.139 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -159.4 | 171.6 | 174.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | T41 I246 G247 Y248 | T41-G225 VanDerWaalsContact OG1-CA 3.31Å; T41-G225 WeakPolarHBondContact OG1-CA 3.4Å; G225-I246 PolarHBondContact N-O 2.98Å; G225-I246 VanDerWaalsContact N-O 3.1Å; G225-G247 CarbonylContact O-C 2.95Å; G225-G247 VanDerWaalsContact O-CA 3.22Å; G225-G247 WeakPolarHBondContact O-CA 3.46Å; G225-Y248 PolarHBondContact O-N 3.3Å |
| 226 | D | 97.9 | Very high | 96.1 | Very high | 33 Ų | 33 | 27.3 Ų | 27.3 | 18% | 0.176 | 14% | 0.136 | C | C | . | . | S | Bend | trans | -124.6 | -6.3 | 178.3 | 69.2 | -66.1 | 0 | 0 | 0 | 112.5 | D39 T41 D230 Y248 Y260 | D39-D226 VanDerWaalsContact O-OD1 3.14Å; T41-D226 WeakPolarHBondContact OG1-CB 3.35Å; T41-D226 PolarHBondContact OG1-N 3.2Å; T41-D226 VanDerWaalsContact OG1-N 3.08Å; T41-D226 PolarHBondContact OG1-OD1 3.42Å; D226-D230 PolarHBondContact N-OD2 2.65Å; D226-Y248 VanDerWaalsContact CA-O 3.29Å; D226-Y248 WeakPolarHBondContact CA-O 3.32Å; D226-Y248 WeakPolarHBondContact CB-O 3.39Å; D226-Y260 WeakPolarHBondContact O-CE1 3.25Å; D226-Y260 PolarHBondContact O-OH 3.17Å |
| 227 | S | 95.3 | Very high | 96.1 | Very high | 14 Ų | 14 | 22.2 Ų | 22.2 | 10% | 0.098 | 12% | 0.115 | C | C | . | . | S | Bend | trans | -121.9 | 156.1 | 179.5 | 79.6 | 0 | 0 | 0 | 0 | 112.4 | G229 D230 Y264 | S227-G229 PolarHBondContact O-N 3.12Å; S227-G229 VanDerWaalsContact O-N 3.16Å; S227-G229 PolarHBondContact OG-N 3.11Å; S227-D230 WeakPolarHBondContact CA-OD2 3.39Å; S227-D230 WeakPolarHBondContact CB-OD2 3.19Å; S227-D230 PolarHBondContact N-OD2 3.46Å; S227-D230 WeakPolarHBondContact O-CB 3.17Å; S227-D230 PolarHBondContact O-N 2.8Å; S227-D230 VanDerWaalsContact O-N 3.08Å; S227-D230 PolarHBondContact OG-N 3.21Å; S227-D230 PolarHBondContact OG-OD1 3.5Å; S227-D230 PolarHBondContact OG-OD2 3.29Å; S227-Y264 PolarHBondContact O-OH 3.34Å |
| 228 | Q | 92.5 | Very high | 95.6 | Very high | 41 Ų | 41 | 20 Ų | 20 | 19% | 0.192 | 11% | 0.113 | C | C | . | . | G | 310 helix | trans | -61.3 | -25.4 | 174.3 | -65.9 | -68.3 | -53.2 | 0 | 0 | 113.2 | D230 L231 K259 Y260 S263 | Q228-D230 VanDerWaalsContact C-N 3.27Å; Q228-D230 PolarHBondContact O-N 3.25Å; Q228-L231 WeakPolarHBondContact O-CB 3.47Å; Q228-K259 HydrophobicContact CG-CD 4.44Å; Q228-Y260 HydrophobicContact CG-CE2 4.27Å; Q228-Y260 VanDerWaalsContact NE2-CD2 3.28Å; Q228-S263 PolarHBondContact OE1-OG 2.81Å |
| 229 | G | 92.5 | Very high | 95.3 | Very high | 7 Ų | 7 | 22.7 Ų | 22.7 | 7% | 0.072 | 13% | 0.127 | C | C | . | . | G | 310 helix | trans | -69.8 | -24.7 | 176.8 | 0 | 0 | 0 | 0 | 0 | 113.6 | V198 S227 L231 R232 | V198-G229 WeakPolarHBondContact O-CA 3.41Å; S227-G229 PolarHBondContact O-N 3.12Å; S227-G229 VanDerWaalsContact O-N 3.16Å; S227-G229 PolarHBondContact OG-N 3.11Å; G229-L231 PolarHBondContact O-N 2.9Å; G229-R232 WeakPolarHBondContact O-CB 3.22Å; G229-R232 PolarHBondContact O-N 2.91Å |
| 230 | D | 97.2 | Very high | 95.3 | Very high | 1 Ų | 1 | 25.6 Ų | 25.6 | 1% | 0.005 | 15% | 0.145 | C | C | . | . | G | 310 helix | trans | -69.1 | -23.6 | -178.9 | -62.1 | -37.8 | 0 | 0 | 0 | 112.8 | K201 D226 S227 Q228 R232 M233 | K201-D230 VanDerWaalsContact CE-OD1 3.29Å; K201-D230 WeakPolarHBondContact CE-OD1 3.4Å; K201-D230 IonicContact NZ-OD1 3.44Å; K201-D230 PolarHBondContact NZ-OD1 3.2Å; D226-D230 PolarHBondContact N-OD2 2.65Å; S227-D230 WeakPolarHBondContact CA-OD2 3.39Å; S227-D230 WeakPolarHBondContact CB-OD2 3.19Å; S227-D230 PolarHBondContact N-OD2 3.46Å; S227-D230 WeakPolarHBondContact O-CB 3.17Å; S227-D230 PolarHBondContact O-N 2.8Å; S227-D230 VanDerWaalsContact O-N 3.08Å; S227-D230 PolarHBondContact OG-N 3.21Å; S227-D230 PolarHBondContact OG-OD1 3.5Å; S227-D230 PolarHBondContact OG-OD2 3.29Å; Q228-D230 VanDerWaalsContact C-N 3.27Å; Q228-D230 PolarHBondContact O-N 3.25Å; D230-R232 PolarHBondContact O-N 3.4Å; D230-M233 HydrophobicContact CB-CE 3.63Å; D230-M233 HydrophobicContact CB-SD 4.19Å; D230-M233 WeakPolarHBondContact O-CB 3.5Å; D230-M233 WeakPolarHBondContact O-CE 3.45Å; D230-M233 VanDerWaalsContact O-CG 3.29Å; D230-M233 WeakPolarHBondContact O-CG 3.45Å; D230-M233 PolarHBondContact O-N 3.27Å |
| 231 | L | 96.7 | Very high | 95.2 | Very high | 22 Ų | 22 | 29.8 Ų | 29.8 | 12% | 0.115 | 16% | 0.164 | C | C | . | . | G | 310 helix | trans | -57.6 | -17.9 | 174.2 | -64.8 | 169.3 | 0 | 0 | 0 | 113.1 | Q228 G229 K245 S263 Y264 | Q228-L231 WeakPolarHBondContact O-CB 3.47Å; G229-L231 PolarHBondContact O-N 2.9Å; L231-K245 HydrophobicContact CD2-CD 3.73Å; L231-S263 WeakPolarHBondContact CD2-O 3.12Å; L231-Y264 HydrophobicContact CD1-CE2 4.22Å; L231-Y264 HydrophobicContact CD2-CD1 3.83Å; L231-Y264 HydrophobicContact CD2-CD2 4.01Å; L231-Y264 HydrophobicContact CD2-CE1 3.55Å; L231-Y264 HydrophobicContact CD2-CE2 3.73Å; L231-Y264 HydrophobicContact CD2-CG 4.06Å; L231-Y264 VanDerWaalsContact CD2-CZ 3.49Å; L231-Y264 HydrophobicContact CG-CE1 4.34Å; L231-Y264 HydrophobicContact CG-CE2 3.94Å |
| 232 | R | 95.7 | Very high | 95.2 | Very high | 114 Ų | 114 | 32.7 Ų | 32.7 | 43% | 0.43 | 18% | 0.178 | S | C | . | . | G | 310 helix | trans | -94.6 | -3 | -179.3 | -49 | -56.5 | -59.9 | -80.6 | -6.6 | 113.8 | H202 G229 D230 A234 D235 | H202-R232 HydrophobicContact CB-CB 4.06Å; H202-R232 PolarHBondContact ND1-NH2 3.34Å; H202-R232 VanDerWaalsContact ND1-NH2 3.11Å; G229-R232 WeakPolarHBondContact O-CB 3.22Å; G229-R232 PolarHBondContact O-N 2.91Å; D230-R232 PolarHBondContact O-N 3.4Å; R232-A234 PolarHBondContact O-N 2.74Å; R232-D235 IonicContact CZ-OD2 3.68Å; R232-D235 IonicContact NE-OD1 2.71Å; R232-D235 IonicContact NE-OD2 2.91Å; R232-D235 PolarHBondContact NE-OD2 2.9Å; R232-D235 IonicContact NH2-OD2 3.36Å; R232-D235 PolarHBondContact NH2-OD2 3.41Å; R232-D235 WeakPolarHBondContact O-CB 3.17Å; R232-D235 PolarHBondContact O-N 2.85Å |
| 233 | M | 97 | Very high | 95.2 | Very high | 0 Ų | 0 | 34.5 Ų | 34.5 | 0% | 0 | 19% | 0.187 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -67.5 | -23.1 | -176.4 | -68.1 | -174.1 | -54.9 | 0 | 0 | 113.6 | I35 D37 F151 K201 L223 L224 D230 | I35-M233 HydrophobicContact CG2-CB 3.51Å; I35-M233 HydrophobicContact CG2-CE 4.36Å; D37-M233 HydrophobicContact CB-CE 4.26Å; D37-M233 HydrophobicContact CB-SD 4.24Å; F151-M233 HydrophobicContact CB-CG 4.39Å; F151-M233 HydrophobicContact CB-SD 3.91Å; F151-M233 HydrophobicContact CD1-CB 4.01Å; F151-M233 HydrophobicContact CD1-CG 3.79Å; F151-M233 HydrophobicContact CD1-SD 4.38Å; F151-M233 HydrophobicContact CE1-CG 4.45Å; F151-M233 HydrophobicContact CG-CG 4.36Å; F151-M233 HydrophobicContact CG-SD 4.39Å; K201-M233 HydrophobicContact CB-CG 4.06Å; K201-M233 HydrophobicContact CD-CG 3.51Å; K201-M233 HydrophobicContact CD-SD 3.67Å; K201-M233 HydrophobicContact CG-CG 4.43Å; K201-M233 PolarHBondContact NZ-SD 2.93Å; K201-M233 VanDerWaalsContact NZ-SD 3.45Å; L223-M233 HydrophobicContact CD1-CB 4.44Å; L223-M233 HydrophobicContact CD2-CE 4.19Å; L223-M233 HydrophobicContact CG-CE 4.21Å; L224-M233 VanDerWaalsContact O-CE 3.26Å; L224-M233 WeakPolarHBondContact O-CE 3.42Å; D230-M233 HydrophobicContact CB-CE 3.63Å; D230-M233 HydrophobicContact CB-SD 4.19Å; D230-M233 WeakPolarHBondContact O-CB 3.5Å; D230-M233 WeakPolarHBondContact O-CE 3.45Å; D230-M233 VanDerWaalsContact O-CG 3.29Å; D230-M233 WeakPolarHBondContact O-CG 3.45Å; D230-M233 PolarHBondContact O-N 3.27Å |
| 234 | A | 95.3 | Very high | 95.2 | Very high | 11 Ų | 11 | 34.5 Ų | 34.5 | 9% | 0.091 | 19% | 0.187 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -90.7 | 4.3 | 178.1 | 0 | 0 | 0 | 0 | 0 | 113.7 | I35 L223 R232 G236 V237 I243 | I35-A234 HydrophobicContact CD1-CB 3.92Å; L223-A234 HydrophobicContact CD1-CB 3.93Å; R232-A234 PolarHBondContact O-N 2.74Å; A234-G236 PolarHBondContact O-N 3.5Å; A234-G236 VanDerWaalsContact O-N 3.14Å; A234-V237 HydrophobicContact CB-CG2 4.13Å; A234-V237 WeakPolarHBondContact O-CB 3.26Å; A234-V237 VanDerWaalsContact O-CG2 3.31Å; A234-V237 WeakPolarHBondContact O-CG2 3.38Å; A234-V237 PolarHBondContact O-N 3.11Å; A234-I243 HydrophobicContact CB-CD1 3.83Å |
| 235 | D | 93.2 | Very high | 95.2 | Very high | 57 Ų | 57 | 37 Ų | 37 | 31% | 0.305 | 20% | 0.198 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -65.8 | -19.8 | -174.9 | -71.5 | 8.6 | 0 | 0 | 0 | 113.3 | H202 A205 R232 | H202-D235 IonicContact CE1-OD2 2.69Å; H202-D235 IonicContact CG-OD2 2.83Å; H202-D235 WeakPolarHBondContact ND1-CB 3.29Å; H202-D235 IonicContact ND1-OD2 2.75Å; H202-D235 PolarHBondContact ND1-OD2 3.38Å; A205-D235 HydrophobicContact CB-CB 4.37Å; R232-D235 IonicContact CZ-OD2 3.68Å; R232-D235 IonicContact NE-OD1 2.71Å; R232-D235 IonicContact NE-OD2 2.91Å; R232-D235 PolarHBondContact NE-OD2 2.9Å; R232-D235 IonicContact NH2-OD2 3.36Å; R232-D235 PolarHBondContact NH2-OD2 3.41Å; R232-D235 WeakPolarHBondContact O-CB 3.17Å; R232-D235 PolarHBondContact O-N 2.85Å |
| 236 | G | 90.8 | Very high | 95.2 | Very high | 7 Ų | 7 | 37 Ų | 37 | 7% | 0.072 | 20% | 0.198 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -83.6 | -5.7 | 174.6 | 0 | 0 | 0 | 0 | 0 | 114.8 | F212 A234 A238 | F212-G236 WeakPolarHBondContact CB-O 3.39Å; F212-G236 WeakPolarHBondContact CD2-O 3.2Å; F212-G236 WeakPolarHBondContact CG-O 3.5Å; A234-G236 PolarHBondContact O-N 3.5Å; A234-G236 VanDerWaalsContact O-N 3.14Å; G236-A238 PolarHBondContact O-N 2.86Å |
| 237 | V | 91.3 | Very high | 95.3 | Very high | 19 Ų | 19 | 35.4 Ų | 35.4 | 12% | 0.115 | 19% | 0.19 | C | C | . | . | trans | -75 | 122.9 | -177.5 | -178.3 | 0 | 0 | 0 | 0 | 110 | I35 F212 I221 A234 V240 | I35-V237 HydrophobicContact CD1-CG2 3.52Å; F212-V237 HydrophobicContact CD1-CG2 3.85Å; F212-V237 HydrophobicContact CE1-CG2 3.88Å; I221-V237 HydrophobicContact CD1-CG1 4.06Å; I221-V237 HydrophobicContact CG1-CG1 4.45Å; A234-V237 HydrophobicContact CB-CG2 4.13Å; A234-V237 WeakPolarHBondContact O-CB 3.26Å; A234-V237 VanDerWaalsContact O-CG2 3.31Å; A234-V237 WeakPolarHBondContact O-CG2 3.38Å; A234-V237 PolarHBondContact O-N 3.11Å; V237-V240 HydrophobicContact CB-CG2 4.08Å; V237-V240 HydrophobicContact CG1-CG2 3.75Å | ||
| 238 | A | 84.1 | Confident | 95.4 | Very high | 66 Ų | 66 | 34.8 Ų | 34.8 | 55% | 0.545 | 19% | 0.185 | S | C | . | . | S | Bend | trans | -68.2 | -39 | -172.4 | 0 | 0 | 0 | 0 | 0 | 114.1 | G236 | G236-A238 PolarHBondContact O-N 2.86Š|
| 239 | N | 91.6 | Very high | 95.7 | Very high | 80 Ų | 80 | 32.9 Ų | 32.9 | 43% | 0.428 | 18% | 0.176 | S | C | . | . | trans | -138.5 | 127.7 | -178.9 | -178.5 | 31.1 | 0 | 0 | 0 | 110.1 | S219 | S219-N239 WeakPolarHBondContact CA-O 3.34Š| ||
| 240 | V | 96.8 | Very high | 95.9 | Very high | 63 Ų | 63 | 33 Ų | 33 | 38% | 0.382 | 18% | 0.175 | S | C | . | . | trans | -124.7 | 109 | -179.6 | -179.4 | 0 | 0 | 0 | 0 | 108.7 | I221 V237 I243 | I221-V240 HydrophobicContact CD1-CB 4.15Å; I221-V240 HydrophobicContact CD1-CG1 3.76Å; I221-V240 HydrophobicContact CD1-CG2 3.8Å; V237-V240 HydrophobicContact CB-CG2 4.08Å; V237-V240 HydrophobicContact CG1-CG2 3.75Å; V240-I243 HydrophobicContact CG1-CB 3.79Å; V240-I243 HydrophobicContact CG1-CG2 3.8Å | ||
| 241 | E | 97.8 | Very high | 95.7 | Very high | 88 Ų | 88 | 36.1 Ų | 36.1 | 41% | 0.411 | 19% | 0.192 | S | C | . | . | S | Bend | trans | -83.8 | -51.1 | 170.3 | -79.2 | 177.2 | -136 | 0 | 0 | 110.1 | K31 S219 | K31-E241 IonicContact NZ-OE1 2.59Å; K31-E241 PolarHBondContact NZ-OE1 2.73Å; K31-E241 IonicContact NZ-OE2 3.02Å; K31-E241 PolarHBondContact NZ-OE2 3.02Å; S219-E241 PolarHBondContact O-N 3.24Å; S219-E241 PolarHBondContact OG-OE1 3.5Å |
| 242 | H | 98.6 | Very high | 95.4 | Very high | 62 Ų | 62 | 37.7 Ų | 37.7 | 29% | 0.287 | 20% | 0.196 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.7 | 131.3 | 179.1 | -58.8 | -61.2 | 0 | 0 | 0 | 110.2 | G23 L24 S219 N220 I221 | G23-H242 VanDerWaalsContact C-CD2 3.47Å; G23-H242 VanDerWaalsContact CA-CD2 3.41Å; G23-H242 WeakPolarHBondContact CA-CD2 3.3Å; G23-H242 WeakPolarHBondContact CA-NE2 3.46Å; L24-H242 HydrophobicContact CD2-CB 3.94Å; S219-H242 PolarHBondContact O-N 2.78Å; N220-H242 CarbonylContact C-O 3.53Å; N220-H242 VanDerWaalsContact CA-O 3.3Å; N220-H242 WeakPolarHBondContact CA-O 3.06Å; N220-H242 PolarHBondContact OD1-CD2 3.06Å; I221-H242 PolarHBondContact N-O 2.63Å |
| 243 | I | 98.7 | Very high | 95.3 | Very high | 40 Ų | 40 | 33.6 Ų | 33.6 | 21% | 0.205 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130 | 125.9 | 172.8 | -178.8 | 166.6 | 0 | 0 | 0 | 109.1 | I221 L223 A234 V240 K245 | I221-I243 HydrophobicContact CB-CB 4.32Å; I221-I243 HydrophobicContact CB-CD1 4.34Å; I221-I243 HydrophobicContact CB-CG1 4.05Å; I221-I243 HydrophobicContact CG2-CD1 4.25Å; I221-I243 HydrophobicContact CG2-CG1 4.27Å; I221-I243 WeakPolarHBondContact O-CA 3.33Å; L223-I243 HydrophobicContact CB-CD1 4.46Å; L223-I243 HydrophobicContact CD1-CD1 4.4Å; A234-I243 HydrophobicContact CB-CD1 3.83Å; V240-I243 HydrophobicContact CG1-CB 3.79Å; V240-I243 HydrophobicContact CG1-CG2 3.8Å; I243-K245 HydrophobicContact CD1-CG 4.37Å; I243-K245 HydrophobicContact CG1-CG 4.13Å |
| 244 | L | 98.9 | Very high | 95.2 | Very high | 0 Ų | 0 | 41.3 Ų | 41.3 | 0% | 0 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.6 | 122.8 | 171.6 | -176.3 | 67.6 | 0 | 0 | 0 | 109.2 | V17 I20 I21 L24 I221 L223 I246 D265 I266 I280 | V17-L244 HydrophobicContact CG1-CD1 4.38Å; I20-L244 HydrophobicContact CB-CD1 4.46Å; I20-L244 HydrophobicContact CG2-CB 3.72Å; I20-L244 HydrophobicContact CG2-CD1 4.02Å; I20-L244 HydrophobicContact CG2-CG 4.45Å; I21-L244 HydrophobicContact CD1-CD2 4.41Å; I21-L244 HydrophobicContact CG1-CD2 3.97Å; L24-L244 HydrophobicContact CD1-CB 3.91Å; L24-L244 HydrophobicContact CD1-CD2 4.17Å; I221-L244 PolarHBondContact O-N 2.59Å; L223-L244 PolarHBondContact N-O 3Å; L244-I246 HydrophobicContact CD2-CD1 4.23Å; L244-I246 HydrophobicContact CD2-CG1 4.36Å; L244-I246 HydrophobicContact CG-CG1 4.27Å; L244-D265 HydrophobicContact CD1-CB 3.86Å; L244-I266 HydrophobicContact CD1-CD1 4.21Å; L244-I266 HydrophobicContact CD1-CG1 4.41Å; L244-I266 HydrophobicContact CD2-CD1 4.23Å; L244-I280 HydrophobicContact CD2-CD1 3.66Å; L244-I280 HydrophobicContact CD2-CG2 4.47Å |
| 245 | K | 98.9 | Very high | 95 | Very high | 52 Ų | 52 | 46.7 Ų | 46.7 | 23% | 0.226 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.1 | 120.5 | 179 | -56.5 | -177.8 | -179.7 | -173.4 | 0 | 110.2 | L223 L231 I243 Y264 D265 I266 | L223-K245 HydrophobicContact CB-CG 4.33Å; L231-K245 HydrophobicContact CD2-CD 3.73Å; I243-K245 HydrophobicContact CD1-CG 4.37Å; I243-K245 HydrophobicContact CG1-CG 4.13Å; K245-Y264 HydrophobicContact CB-CD1 3.77Å; K245-Y264 HydrophobicContact CB-CE1 4.37Å; K245-D265 PolarHBondContact N-OD2 3.26Å; K245-D265 PolarHBondContact O-N 2.94Å; K245-I266 PolarHBondContact O-N 2.77Å; K245-I266 VanDerWaalsContact O-N 3.13Å |
| 246 | I | 98.9 | Very high | 95 | Very high | 0 Ų | 0 | 45 Ų | 45 | 0% | 0 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.8 | 121.2 | 177.4 | -48.9 | -177.8 | 0 | 0 | 0 | 108.9 | I222 L223 L224 G225 L244 Y264 I266 L268 A277 I280 | I222-I246 HydrophobicContact CG2-CD1 4.31Å; L223-I246 PolarHBondContact O-N 3.46Å; L224-I246 WeakPolarHBondContact CA-O 3.21Å; L224-I246 HydrophobicContact CD2-CB 3.68Å; L224-I246 HydrophobicContact CD2-CD1 3.8Å; L224-I246 HydrophobicContact CD2-CG1 4.02Å; L224-I246 HydrophobicContact CD2-CG2 4.34Å; G225-I246 PolarHBondContact N-O 2.98Å; G225-I246 VanDerWaalsContact N-O 3.1Å; L244-I246 HydrophobicContact CD2-CD1 4.23Å; L244-I246 HydrophobicContact CD2-CG1 4.36Å; L244-I246 HydrophobicContact CG-CG1 4.27Å; I246-Y264 VanDerWaalsContact C-CD1 3.44Å; I246-I266 CarbonylContact C-O 3.55Å; I246-I266 WeakPolarHBondContact CA-O 3.48Å; I246-I266 HydrophobicContact CD1-CD1 4.5Å; I246-I266 HydrophobicContact CG1-CB 4.37Å; I246-I266 HydrophobicContact CG1-CD1 4.39Å; I246-I266 HydrophobicContact CG2-CB 4.34Å; I246-I266 HydrophobicContact CG2-CG2 4.38Å; I246-L268 HydrophobicContact CG2-CD1 3.64Å; I246-L268 HydrophobicContact CG2-CG 3.94Å; I246-A277 HydrophobicContact CD1-CB 4.41Å; I246-I280 HydrophobicContact CD1-CD1 3.87Å |
| 247 | G | 98.8 | Very high | 95.3 | Very high | 0 Ų | 0 | 46 Ų | 46 | 0% | 0 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.9 | 122.4 | -175.4 | 0 | 0 | 0 | 0 | 0 | 112.5 | G225 Y264 I266 V267 L268 | G225-G247 CarbonylContact O-C 2.95Å; G225-G247 VanDerWaalsContact O-CA 3.22Å; G225-G247 WeakPolarHBondContact O-CA 3.46Å; G247-Y264 VanDerWaalsContact CA-CD1 3.41Å; G247-I266 PolarHBondContact N-O 3.1Å; G247-V267 CarbonylContact O-C 3.48Å; G247-V267 WeakPolarHBondContact O-CA 3.35Å; G247-L268 PolarHBondContact O-N 3.48Å |
| 248 | Y | 98.8 | Very high | 95.5 | Very high | 0 Ų | 0 | 52.1 Ų | 52.1 | 0% | 0 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.6 | 114.4 | 170.4 | -70.2 | -89.1 | 0 | 0 | 0 | 110.1 | T41 K131 G225 D226 L268 D271 S273 L274 | T41-Y248 HydrophobicContact CG2-CD2 4.14Å; T41-Y248 HydrophobicContact CG2-CE2 4.25Å; K131-Y248 HydrophobicContact CD-CD1 4.21Å; K131-Y248 HydrophobicContact CD-CE1 3.72Å; G225-Y248 PolarHBondContact O-N 3.3Å; D226-Y248 VanDerWaalsContact CA-O 3.29Å; D226-Y248 WeakPolarHBondContact CA-O 3.32Å; D226-Y248 WeakPolarHBondContact CB-O 3.39Å; Y248-L268 HydrophobicContact CD1-CB 3.95Å; Y248-L268 HydrophobicContact CD1-CD1 4.14Å; Y248-L268 HydrophobicContact CE1-CB 4.08Å; Y248-L268 HydrophobicContact CE1-CD1 3.48Å; Y248-L268 VanDerWaalsContact CE1-CD1 3.48Å; Y248-L268 HydrophobicContact CE1-CG 4.41Å; Y248-L268 HydrophobicContact CE2-CD1 4.27Å; Y248-D271 HydrophobicContact CD1-CB 4.48Å; Y248-D271 WeakPolarHBondContact CD1-O 3.43Å; Y248-D271 HydrophobicContact CE1-CB 4.38Å; Y248-S273 PolarHBondContact OH-O 2.7Å; Y248-L274 WeakPolarHBondContact OH-CD2 3.49Å |
| 249 | L | 98.1 | Very high | 96 | Very high | 1 Ų | 1 | 54.1 Ų | 54.1 | 1% | 0.005 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99 | 91.1 | 174.3 | -179.8 | 56.7 | 0 | 0 | 0 | 109.1 | D251 V253 L256 L257 Y260 V267 L268 V269 Q270 | L249-D251 WeakPolarHBondContact CD1-O 3.24Å; L249-V253 HydrophobicContact CD2-CB 4.48Å; L249-V253 HydrophobicContact CD2-CG1 4.22Å; L249-V253 HydrophobicContact CG-CG2 4.33Å; L249-L256 HydrophobicContact CD1-CB 3.83Å; L249-L256 HydrophobicContact CD1-CD1 4.13Å; L249-L257 HydrophobicContact CD2-CB 3.89Å; L249-L257 HydrophobicContact CD2-CD1 3.95Å; L249-Y260 HydrophobicContact CB-CD1 4Å; L249-Y260 HydrophobicContact CB-CE1 4.27Å; L249-Y260 HydrophobicContact CB-CG 4.48Å; L249-Y260 HydrophobicContact CD1-CD1 4.19Å; L249-Y260 HydrophobicContact CD1-CD2 4.11Å; L249-Y260 HydrophobicContact CD1-CE1 4.06Å; L249-Y260 HydrophobicContact CD1-CE2 3.99Å; L249-Y260 HydrophobicContact CD1-CG 4.21Å; L249-Y260 HydrophobicContact CD2-CG 4.42Å; L249-V267 HydrophobicContact CB-CG1 3.81Å; L249-V267 HydrophobicContact CD2-CG1 4.36Å; L249-L268 PolarHBondContact N-O 3.01Å; L249-V269 HydrophobicContact CD2-CG2 4.48Å; L249-Q270 PolarHBondContact O-N 3.41Å |
| 250 | N | 96.9 | Very high | 96.3 | Very high | 10 Ų | 10 | 51.1 Ų | 51.1 | 5% | 0.053 | 25% | 0.249 | C | C | . | . | trans | -88.5 | -26.8 | -169.9 | -65.7 | -48.6 | 0 | 0 | 0 | 114.2 | M40 F45 | M40-N250 PolarHBondContact O-ND2 2.77Å; F45-N250 HydrophobicContact CB-CB 3.76Å; F45-N250 HydrophobicContact CD1-CB 4.01Å; F45-N250 HydrophobicContact CD2-CB 3.55Å; F45-N250 HydrophobicContact CE1-CB 4.48Å; F45-N250 HydrophobicContact CE2-CB 4.06Å; F45-N250 HydrophobicContact CG-CB 3.51Å | ||
| 251 | D | 92.4 | Very high | 96.4 | Very high | 66 Ų | 66 | 49.7 Ų | 49.7 | 35% | 0.353 | 24% | 0.239 | S | C | . | . | S | Bend | trans | -143.2 | 161.6 | -175.8 | -161.2 | -0.3 | 0 | 0 | 0 | 110.9 | F45 L249 V253 | F45-D251 HydrophobicContact CE2-CB 4.28Å; F45-D251 HydrophobicContact CZ-CB 3.81Å; L249-D251 WeakPolarHBondContact CD1-O 3.24Å; D251-V253 PolarHBondContact O-N 2.99Å |
| 252 | R | 90.3 | Very high | 96.4 | Very high | 56 Ų | 56 | 49.8 Ų | 49.8 | 21% | 0.211 | 24% | 0.242 | C | C | . | . | trans | 48.9 | 44.9 | 178.6 | -57.9 | -178.1 | -60.6 | 136.6 | 1.1 | 112.7 | V85 D254 E255 L256 | V85-R252 VanDerWaalsContact CA-NH2 3.28Å; V85-R252 VanDerWaalsContact CG1-NH2 3.27Å; V85-R252 PolarHBondContact O-NH1 3.02Å; V85-R252 PolarHBondContact O-NH2 3.25Å; R252-D254 VanDerWaalsContact C-N 3.32Å; R252-D254 PolarHBondContact O-N 3.3Å; R252-E255 HydrophobicContact CB-CB 4.38Å; R252-E255 IonicContact NH1-OE2 2.73Å; R252-E255 PolarHBondContact NH1-OE2 3.04Å; R252-E255 PolarHBondContact O-N 2.86Å; R252-E255 VanDerWaalsContact O-N 3.14Å; R252-L256 HydrophobicContact CB-CD1 4.11Å; R252-L256 HydrophobicContact CB-CG 4.31Å; R252-L256 WeakPolarHBondContact O-CB 3.25Å; R252-L256 PolarHBondContact O-N 3.41Å | ||
| 253 | V | 94.6 | Very high | 96.3 | Very high | 27 Ų | 27 | 48.8 Ų | 48.8 | 16% | 0.164 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -52.9 | -50.7 | -174.3 | 177.6 | 0 | 0 | 0 | 0 | 110.7 | L249 D251 E255 L256 L257 V269 Q270 | L249-V253 HydrophobicContact CD2-CB 4.48Å; L249-V253 HydrophobicContact CD2-CG1 4.22Å; L249-V253 HydrophobicContact CG-CG2 4.33Å; D251-V253 PolarHBondContact O-N 2.99Å; V253-E255 VanDerWaalsContact C-N 3.27Å; V253-E255 PolarHBondContact O-N 3.39Å; V253-L256 PolarHBondContact O-N 3.33Å; V253-L257 WeakPolarHBondContact O-CB 3.42Å; V253-L257 PolarHBondContact O-N 3.03Å; V253-V269 HydrophobicContact CB-CG1 4.31Å; V253-V269 HydrophobicContact CG1-CG1 3.51Å; V253-V269 HydrophobicContact CG2-CG1 3.76Å; V253-Q270 HydrophobicContact CG2-CG 3.98Å |
| 254 | D | 93.9 | Very high | 96.3 | Very high | 162 Ų | 162 | 47.2 Ų | 47.2 | 87% | 0.866 | 23% | 0.234 | S | C | * | . | H | α-helix | trans | -62.4 | -33.7 | -176 | -62.1 | -29.5 | 0 | 0 | 0 | 112.9 | R252 | R252-D254 VanDerWaalsContact C-N 3.32Å; R252-D254 PolarHBondContact O-N 3.3Å |
| 255 | E | 92.6 | Very high | 96.3 | Very high | 125 Ų | 125 | 48.3 Ų | 48.3 | 58% | 0.584 | 24% | 0.24 | S | C | * | . | H | α-helix | trans | -79.9 | -35.5 | -178.9 | -63.6 | 172.4 | -163 | 0 | 0 | 112.7 | R252 V253 | R252-E255 HydrophobicContact CB-CB 4.38Å; R252-E255 IonicContact NH1-OE2 2.73Å; R252-E255 PolarHBondContact NH1-OE2 3.04Å; R252-E255 PolarHBondContact O-N 2.86Å; R252-E255 VanDerWaalsContact O-N 3.14Å; V253-E255 VanDerWaalsContact C-N 3.27Å; V253-E255 PolarHBondContact O-N 3.39Å |
| 256 | L | 92 | Very high | 96.3 | Very high | 22 Ų | 22 | 45.9 Ų | 45.9 | 12% | 0.115 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -107.8 | -15.5 | -166.7 | -65 | 179 | 0 | 0 | 0 | 114 | L249 R252 V253 E258 K259 Y260 | L249-L256 HydrophobicContact CD1-CB 3.83Å; L249-L256 HydrophobicContact CD1-CD1 4.13Å; R252-L256 HydrophobicContact CB-CD1 4.11Å; R252-L256 HydrophobicContact CB-CG 4.31Å; R252-L256 WeakPolarHBondContact O-CB 3.25Å; R252-L256 PolarHBondContact O-N 3.41Å; V253-L256 PolarHBondContact O-N 3.33Å; L256-E258 VanDerWaalsContact C-N 3.32Å; L256-E258 PolarHBondContact O-N 2.69Å; L256-K259 PolarHBondContact O-N 3.14Å; L256-K259 VanDerWaalsContact O-N 3.12Å; L256-Y260 HydrophobicContact CB-CD2 3.92Å; L256-Y260 HydrophobicContact CB-CE2 3.96Å; L256-Y260 HydrophobicContact CD1-CE2 4.1Å; L256-Y260 VanDerWaalsContact O-CD2 3.31Å; L256-Y260 WeakPolarHBondContact O-CD2 3.32Å; L256-Y260 PolarHBondContact O-N 2.82Å |
| 257 | L | 96.6 | Very high | 96.3 | Very high | 26 Ų | 26 | 45.9 Ų | 45.9 | 14% | 0.136 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -56 | -45.1 | -171.7 | 175.4 | 65.7 | 0 | 0 | 0 | 112.8 | R10 L249 V253 Y260 M261 V267 V269 | R10-L257 HydrophobicContact CB-CD1 4.32Å; R10-L257 HydrophobicContact CG-CD1 4.18Å; R10-L257 VanDerWaalsContact NH1-CD2 3.29Å; L249-L257 HydrophobicContact CD2-CB 3.89Å; L249-L257 HydrophobicContact CD2-CD1 3.95Å; V253-L257 WeakPolarHBondContact O-CB 3.42Å; V253-L257 PolarHBondContact O-N 3.03Å; L257-Y260 PolarHBondContact O-N 3.49Å; L257-M261 HydrophobicContact CD1-CG 3.88Å; L257-M261 HydrophobicContact CD1-SD 3.9Å; L257-M261 HydrophobicContact CD2-SD 4.49Å; L257-M261 HydrophobicContact CG-CG 4.3Å; L257-M261 HydrophobicContact CG-SD 3.99Å; L257-M261 WeakPolarHBondContact O-CB 3.27Å; L257-M261 VanDerWaalsContact O-CG 3.3Å; L257-M261 WeakPolarHBondContact O-CG 3.43Å; L257-M261 PolarHBondContact O-N 2.79Å; L257-V267 HydrophobicContact CD1-CG1 4.28Å; L257-V269 HydrophobicContact CD1-CG2 3.87Å |
| 258 | E | 96.7 | Very high | 96.3 | Very high | 149 Ų | 149 | 45.9 Ų | 45.9 | 70% | 0.696 | 23% | 0.229 | S | C | * | . | H | α-helix | trans | -60.1 | -49.2 | 178.3 | -175.2 | 172.5 | -161.3 | 0 | 0 | 111 | L256 Y260 M261 D262 | L256-E258 VanDerWaalsContact C-N 3.32Å; L256-E258 PolarHBondContact O-N 2.69Å; E258-Y260 VanDerWaalsContact C-N 3.29Å; E258-Y260 PolarHBondContact O-N 3.44Å; E258-M261 PolarHBondContact O-N 3.06Å; E258-D262 WeakPolarHBondContact O-CB 3.29Å; E258-D262 VanDerWaalsContact O-CG 3.26Å; E258-D262 PolarHBondContact O-N 3.35Å |
| 259 | K | 94.3 | Very high | 96.3 | Very high | 108 Ų | 108 | 46.9 Ų | 46.9 | 47% | 0.47 | 24% | 0.235 | S | C | . | . | H | α-helix | trans | -59.4 | -38.9 | 177.3 | -174.1 | 174.4 | -175.3 | 174.1 | 0 | 112.7 | Q228 L256 S263 | Q228-K259 HydrophobicContact CG-CD 4.44Å; L256-K259 PolarHBondContact O-N 3.14Å; L256-K259 VanDerWaalsContact O-N 3.12Å; K259-S263 WeakPolarHBondContact O-CB 3.34Å; K259-S263 PolarHBondContact O-N 3.24Å; K259-S263 PolarHBondContact O-OG 3.49Å |
| 260 | Y | 97.5 | Very high | 96.3 | Very high | 16 Ų | 16 | 53.1 Ų | 53.1 | 6% | 0.063 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -69.1 | -45.2 | 176.6 | -87.2 | -118.7 | 0 | 0 | 0 | 111.2 | D226 Q228 L249 L256 L257 E258 D262 S263 Y264 V267 | D226-Y260 WeakPolarHBondContact O-CE1 3.25Å; D226-Y260 PolarHBondContact O-OH 3.17Å; Q228-Y260 HydrophobicContact CG-CE2 4.27Å; Q228-Y260 VanDerWaalsContact NE2-CD2 3.28Å; L249-Y260 HydrophobicContact CB-CD1 4Å; L249-Y260 HydrophobicContact CB-CE1 4.27Å; L249-Y260 HydrophobicContact CB-CG 4.48Å; L249-Y260 HydrophobicContact CD1-CD1 4.19Å; L249-Y260 HydrophobicContact CD1-CD2 4.11Å; L249-Y260 HydrophobicContact CD1-CE1 4.06Å; L249-Y260 HydrophobicContact CD1-CE2 3.99Å; L249-Y260 HydrophobicContact CD1-CG 4.21Å; L249-Y260 HydrophobicContact CD2-CG 4.42Å; L256-Y260 HydrophobicContact CB-CD2 3.92Å; L256-Y260 HydrophobicContact CB-CE2 3.96Å; L256-Y260 HydrophobicContact CD1-CE2 4.1Å; L256-Y260 VanDerWaalsContact O-CD2 3.31Å; L256-Y260 WeakPolarHBondContact O-CD2 3.32Å; L256-Y260 PolarHBondContact O-N 2.82Å; L257-Y260 PolarHBondContact O-N 3.49Å; E258-Y260 VanDerWaalsContact C-N 3.29Å; E258-Y260 PolarHBondContact O-N 3.44Å; Y260-D262 PolarHBondContact O-N 3.11Å; Y260-S263 PolarHBondContact O-N 3.29Å; Y260-S263 VanDerWaalsContact O-N 3.09Å; Y260-Y264 HydrophobicContact CD1-CD2 4.05Å; Y260-Y264 HydrophobicContact CD1-CE2 4.14Å; Y260-Y264 HydrophobicContact CE1-CE2 4.29Å; Y260-Y264 WeakPolarHBondContact O-CB 3.42Å; Y260-Y264 PolarHBondContact O-N 3.1Å; Y260-V267 HydrophobicContact CD1-CG1 4.49Å |
| 261 | M | 98.4 | Very high | 96.4 | Very high | 33 Ų | 33 | 53.2 Ų | 53.2 | 16% | 0.163 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -64.5 | -23.9 | 177.8 | -74.5 | -171.9 | 69.3 | 0 | 0 | 113 | R10 K12 L257 E258 V267 | R10-M261 HydrophobicContact CB-CE 4.31Å; R10-M261 HydrophobicContact CB-CG 4.29Å; R10-M261 HydrophobicContact CB-SD 3.97Å; K12-M261 HydrophobicContact CB-CB 4.31Å; K12-M261 HydrophobicContact CB-CE 4.05Å; K12-M261 VanDerWaalsContact CB-O 3.28Å; K12-M261 WeakPolarHBondContact CB-O 3.42Å; K12-M261 WeakPolarHBondContact CD-O 3.32Å; L257-M261 HydrophobicContact CD1-CG 3.88Å; L257-M261 HydrophobicContact CD1-SD 3.9Å; L257-M261 HydrophobicContact CD2-SD 4.49Å; L257-M261 HydrophobicContact CG-CG 4.3Å; L257-M261 HydrophobicContact CG-SD 3.99Å; L257-M261 WeakPolarHBondContact O-CB 3.27Å; L257-M261 VanDerWaalsContact O-CG 3.3Å; L257-M261 WeakPolarHBondContact O-CG 3.43Å; L257-M261 PolarHBondContact O-N 2.79Å; E258-M261 PolarHBondContact O-N 3.06Å; M261-V267 HydrophobicContact CG-CB 4.48Å; M261-V267 HydrophobicContact CG-CG2 4.04Å |
| 262 | D | 98.1 | Very high | 96.6 | Very high | 90 Ų | 90 | 51.6 Ų | 51.6 | 48% | 0.481 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -79.5 | -25.8 | 175.1 | -75.5 | 8.6 | 0 | 0 | 0 | 113.2 | K12 E258 Y260 | K12-D262 WeakPolarHBondContact CD-OD1 3.45Å; K12-D262 WeakPolarHBondContact CE-OD1 3.45Å; K12-D262 VanDerWaalsContact NZ-CG 3.33Å; K12-D262 IonicContact NZ-OD1 2.74Å; K12-D262 PolarHBondContact NZ-OD1 3.38Å; K12-D262 IonicContact NZ-OD2 3.58Å; E258-D262 WeakPolarHBondContact O-CB 3.29Å; E258-D262 VanDerWaalsContact O-CG 3.26Å; E258-D262 PolarHBondContact O-N 3.35Å; Y260-D262 PolarHBondContact O-N 3.11Å |
| 263 | S | 97.2 | Very high | 97 | Very high | 42 Ų | 42 | 49.2 Ų | 49.2 | 29% | 0.294 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -111.9 | -27.6 | -168.1 | -48.3 | 0 | 0 | 0 | 0 | 113.9 | Q228 L231 K259 Y260 | Q228-S263 PolarHBondContact OE1-OG 2.81Å; L231-S263 WeakPolarHBondContact CD2-O 3.12Å; K259-S263 WeakPolarHBondContact O-CB 3.34Å; K259-S263 PolarHBondContact O-N 3.24Å; K259-S263 PolarHBondContact O-OG 3.49Å; Y260-S263 PolarHBondContact O-N 3.29Å; Y260-S263 VanDerWaalsContact O-N 3.09Å |
| 264 | Y | 98.8 | Very high | 97.3 | Very high | 6 Ų | 6 | 47.9 Ų | 47.9 | 2% | 0.024 | 24% | 0.239 | C | C | . | . | trans | -107.4 | 143.8 | 174.2 | -74.5 | -86.4 | 0 | 0 | 0 | 110.6 | L223 S227 L231 K245 I246 G247 Y260 | L223-Y264 HydrophobicContact CD2-CE1 4.2Å; S227-Y264 PolarHBondContact O-OH 3.34Å; L231-Y264 HydrophobicContact CD1-CE2 4.22Å; L231-Y264 HydrophobicContact CD2-CD1 3.83Å; L231-Y264 HydrophobicContact CD2-CD2 4.01Å; L231-Y264 HydrophobicContact CD2-CE1 3.55Å; L231-Y264 HydrophobicContact CD2-CE2 3.73Å; L231-Y264 HydrophobicContact CD2-CG 4.06Å; L231-Y264 VanDerWaalsContact CD2-CZ 3.49Å; L231-Y264 HydrophobicContact CG-CE1 4.34Å; L231-Y264 HydrophobicContact CG-CE2 3.94Å; K245-Y264 HydrophobicContact CB-CD1 3.77Å; K245-Y264 HydrophobicContact CB-CE1 4.37Å; I246-Y264 VanDerWaalsContact C-CD1 3.44Å; G247-Y264 VanDerWaalsContact CA-CD1 3.41Å; Y260-Y264 HydrophobicContact CD1-CD2 4.05Å; Y260-Y264 HydrophobicContact CD1-CE2 4.14Å; Y260-Y264 HydrophobicContact CE1-CE2 4.29Å; Y260-Y264 WeakPolarHBondContact O-CB 3.42Å; Y260-Y264 PolarHBondContact O-N 3.1Å | ||
| 265 | D | 98.8 | Very high | 97.5 | Very high | 24 Ų | 24 | 43.4 Ų | 43.4 | 13% | 0.128 | 21% | 0.213 | C | C | . | . | S | Bend | trans | -71.9 | -37.9 | 177.5 | -55.2 | -70.1 | 0 | 0 | 0 | 110.8 | R16 V17 L244 K245 | R16-D265 IonicContact NE-OD1 2.85Å; V17-D265 HydrophobicContact CG2-CB 3.87Å; V17-D265 WeakPolarHBondContact CG2-O 3.3Å; L244-D265 HydrophobicContact CD1-CB 3.86Å; K245-D265 PolarHBondContact N-OD2 3.26Å; K245-D265 PolarHBondContact O-N 2.94Å |
| 266 | I | 98.9 | Very high | 97.8 | Very high | 0 Ų | 0 | 37.5 Ų | 37.5 | 0% | 0 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.6 | 126.8 | 175.1 | -54.4 | 175.3 | 0 | 0 | 0 | 108.9 | F4 V9 I11 V17 L244 K245 I246 G247 L268 V276 I280 | F4-I266 HydrophobicContact CE1-CD1 3.67Å; F4-I266 HydrophobicContact CZ-CD1 3.98Å; V9-I266 HydrophobicContact CG1-CG2 4.24Å; I11-I266 HydrophobicContact CD1-CG1 4.14Å; I11-I266 HydrophobicContact CD1-CG2 4.45Å; I11-I266 HydrophobicContact CG1-CB 4.38Å; I11-I266 HydrophobicContact CG1-CG1 4.12Å; I11-I266 HydrophobicContact CG1-CG2 4.17Å; V17-I266 HydrophobicContact CG1-CD1 3.92Å; V17-I266 HydrophobicContact CG1-CG1 4.02Å; V17-I266 HydrophobicContact CG2-CG1 4.11Å; L244-I266 HydrophobicContact CD1-CD1 4.21Å; L244-I266 HydrophobicContact CD1-CG1 4.41Å; L244-I266 HydrophobicContact CD2-CD1 4.23Å; K245-I266 PolarHBondContact O-N 2.77Å; K245-I266 VanDerWaalsContact O-N 3.13Å; I246-I266 CarbonylContact C-O 3.55Å; I246-I266 WeakPolarHBondContact CA-O 3.48Å; I246-I266 HydrophobicContact CD1-CD1 4.5Å; I246-I266 HydrophobicContact CG1-CB 4.37Å; I246-I266 HydrophobicContact CG1-CD1 4.39Å; I246-I266 HydrophobicContact CG2-CB 4.34Å; I246-I266 HydrophobicContact CG2-CG2 4.38Å; G247-I266 PolarHBondContact N-O 3.1Å; I266-L268 HydrophobicContact CG2-CD2 4.01Å; I266-L268 HydrophobicContact CG2-CG 4.48Å; I266-V276 HydrophobicContact CD1-CG1 4.41Å; I266-V276 HydrophobicContact CG2-CG1 4.45Å; I266-I280 HydrophobicContact CD1-CD1 4.23Å |
| 267 | V | 98.9 | Very high | 98.1 | Very high | 0 Ų | 0 | 36.5 Ų | 36.5 | 0% | 0 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.4 | 130.1 | 172.8 | -178.9 | 0 | 0 | 0 | 0 | 109.4 | R10 G247 L249 L257 Y260 M261 V269 | R10-V267 HydrophobicContact CB-CB 4.23Å; R10-V267 PolarHBondContact N-O 2.85Å; R10-V267 PolarHBondContact O-N 2.85Å; G247-V267 CarbonylContact O-C 3.48Å; G247-V267 WeakPolarHBondContact O-CA 3.35Å; L249-V267 HydrophobicContact CB-CG1 3.81Å; L249-V267 HydrophobicContact CD2-CG1 4.36Å; L257-V267 HydrophobicContact CD1-CG1 4.28Å; Y260-V267 HydrophobicContact CD1-CG1 4.49Å; M261-V267 HydrophobicContact CG-CB 4.48Å; M261-V267 HydrophobicContact CG-CG2 4.04Å; V267-V269 HydrophobicContact CG1-CG2 4.15Å |
| 268 | L | 98.9 | Very high | 98.2 | Very high | 1 Ų | 1 | 35.9 Ų | 35.9 | 1% | 0.005 | 18% | 0.177 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.7 | 101.5 | 177.4 | -58.2 | -179.9 | 0 | 0 | 0 | 108.9 | S8 V9 I246 G247 Y248 L249 I266 D271 V276 | S8-L268 WeakPolarHBondContact O-CA 3.5Å; V9-L268 HydrophobicContact CG2-CD2 3.83Å; I246-L268 HydrophobicContact CG2-CD1 3.64Å; I246-L268 HydrophobicContact CG2-CG 3.94Å; G247-L268 PolarHBondContact O-N 3.48Å; Y248-L268 HydrophobicContact CD1-CB 3.95Å; Y248-L268 HydrophobicContact CD1-CD1 4.14Å; Y248-L268 HydrophobicContact CE1-CB 4.08Å; Y248-L268 HydrophobicContact CE1-CD1 3.48Å; Y248-L268 VanDerWaalsContact CE1-CD1 3.48Å; Y248-L268 HydrophobicContact CE1-CG 4.41Å; Y248-L268 HydrophobicContact CE2-CD1 4.27Å; L249-L268 PolarHBondContact N-O 3.01Å; I266-L268 HydrophobicContact CG2-CD2 4.01Å; I266-L268 HydrophobicContact CG2-CG 4.48Å; L268-D271 HydrophobicContact CB-CB 3.85Å; L268-V276 HydrophobicContact CD1-CB 4.38Å; L268-V276 HydrophobicContact CD2-CB 4.22Å; L268-V276 HydrophobicContact CD2-CG1 4.46Å; L268-V276 HydrophobicContact CD2-CG2 3.83Å |
| 269 | V | 98.7 | Very high | 98.3 | Very high | 21 Ų | 21 | 29.2 Ų | 29.2 | 13% | 0.127 | 15% | 0.147 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.6 | 117 | -176.3 | -179.6 | 0 | 0 | 0 | 0 | 109.6 | S8 R10 L249 V253 L257 V267 D271 | S8-V269 VanDerWaalsContact CB-O 3.25Å; S8-V269 WeakPolarHBondContact CB-O 3.46Å; S8-V269 PolarHBondContact O-N 3.08Å; R10-V269 HydrophobicContact CG-CG2 3.72Å; L249-V269 HydrophobicContact CD2-CG2 4.48Å; V253-V269 HydrophobicContact CB-CG1 4.31Å; V253-V269 HydrophobicContact CG1-CG1 3.51Å; V253-V269 HydrophobicContact CG2-CG1 3.76Å; L257-V269 HydrophobicContact CD1-CG2 3.87Å; V267-V269 HydrophobicContact CG1-CG2 4.15Å; V269-D271 PolarHBondContact O-N 3.07Å |
| 270 | Q | 97.9 | Very high | 98.5 | Very high | 132 Ų | 132 | 24.1 Ų | 24.1 | 62% | 0.617 | 13% | 0.125 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 50.1 | 39.6 | 177.9 | -60 | -179.2 | -45.4 | 0 | 0 | 113.3 | L249 V253 | L249-Q270 PolarHBondContact O-N 3.41Å; V253-Q270 HydrophobicContact CG2-CG 3.98Å |
| 271 | D | 98.3 | Very high | 98.5 | Very high | 11 Ų | 11 | 23.3 Ų | 23.3 | 6% | 0.059 | 12% | 0.122 | C | C | . | . | trans | -97.3 | 124.3 | -179.4 | -157.3 | -50.5 | 0 | 0 | 0 | 110.7 | S8 K131 Y248 L268 V269 S273 | S8-D271 WeakPolarHBondContact CB-OD2 3.38Å; S8-D271 PolarHBondContact OG-OD2 3.47Å; K131-D271 PolarHBondContact NZ-O 3.14Å; Y248-D271 HydrophobicContact CD1-CB 4.48Å; Y248-D271 WeakPolarHBondContact CD1-O 3.43Å; Y248-D271 HydrophobicContact CE1-CB 4.38Å; L268-D271 HydrophobicContact CB-CB 3.85Å; V269-D271 PolarHBondContact O-N 3.07Å; D271-S273 WeakPolarHBondContact OD1-CA 3.43Å; D271-S273 WeakPolarHBondContact OD1-CB 3.45Å; D271-S273 PolarHBondContact OD1-N 2.79Å; D271-S273 PolarHBondContact OD1-OG 2.98Å | ||
| 272 | E | 98.4 | Very high | 98.5 | Very high | 33 Ų | 33 | 27.2 Ų | 27.2 | 15% | 0.154 | 14% | 0.139 | C | C | . | . | trans | -103.3 | 20.6 | 179.2 | -58.5 | -67.4 | -166.1 | 0 | 0 | 112.9 | R44 F45 S46 K131 E132 | R44-E272 WeakPolarHBondContact CA-OE2 3.33Å; R44-E272 WeakPolarHBondContact CB-OE2 3.47Å; R44-E272 HydrophobicContact CG-CB 4.33Å; F45-E272 WeakPolarHBondContact CA-OE1 3.34Å; F45-E272 WeakPolarHBondContact CB-OE1 3.47Å; F45-E272 PolarHBondContact N-OE1 3.02Å; F45-E272 VanDerWaalsContact N-OE1 3.09Å; F45-E272 PolarHBondContact N-OE2 3.17Å; S46-E272 PolarHBondContact N-OE1 3.21Å; S46-E272 PolarHBondContact OG-OE1 3.31Å; K131-E272 CarbonylContact C-O 3.59Å; K131-E272 VanDerWaalsContact CA-O 3.29Å; K131-E272 WeakPolarHBondContact CA-O 3.31Å; K131-E272 WeakPolarHBondContact CB-O 3.47Å; K131-E272 IonicContact NZ-OE2 3.76Å; K131-E272 PolarHBondContact NZ-OE2 2.71Å; E132-E272 PolarHBondContact N-O 3.1Å | ||
| 273 | S | 98.6 | Very high | 98.5 | Very high | 5 Ų | 5 | 28.9 Ų | 28.9 | 4% | 0.035 | 14% | 0.142 | C | C | . | . | B | Isolated β-bridge | trans | -121.7 | 159.1 | 179.2 | 79 | 0 | 0 | 0 | 0 | 112.5 | E132 Y248 D271 | E132-S273 WeakPolarHBondContact O-CA 3.35Å; Y248-S273 PolarHBondContact OH-O 2.7Å; D271-S273 WeakPolarHBondContact OD1-CA 3.43Å; D271-S273 WeakPolarHBondContact OD1-CB 3.45Å; D271-S273 PolarHBondContact OD1-N 2.79Å; D271-S273 PolarHBondContact OD1-OG 2.98Å |
| 274 | L | 98.8 | Very high | 98.6 | Very high | 0 Ų | 0 | 27.5 Ų | 27.5 | 0% | 0 | 13% | 0.132 | C | C | . | . | trans | -100.8 | 16.1 | 169 | -65 | 171.8 | 0 | 0 | 0 | 111.7 | L42 K131 E132 F137 Y248 V276 A277 N278 | L42-L274 HydrophobicContact CD2-CD1 4.22Å; L42-L274 HydrophobicContact CD2-CD2 4.26Å; K131-L274 HydrophobicContact CB-CD2 4.45Å; K131-L274 HydrophobicContact CB-CG 3.96Å; K131-L274 HydrophobicContact CD-CD2 4.37Å; E132-L274 PolarHBondContact O-N 2.62Å; F137-L274 HydrophobicContact CB-CD1 3.86Å; F137-L274 HydrophobicContact CD1-CD1 4.25Å; F137-L274 HydrophobicContact CD2-CD1 4.41Å; F137-L274 HydrophobicContact CG-CD1 3.93Å; Y248-L274 WeakPolarHBondContact OH-CD2 3.49Å; L274-V276 VanDerWaalsContact C-N 3.35Å; L274-V276 PolarHBondContact O-N 3.39Å; L274-A277 PolarHBondContact O-N 3.32Å; L274-N278 WeakPolarHBondContact O-CB 3.39Å; L274-N278 PolarHBondContact O-N 3.18Å | ||
| 275 | E | 98.4 | Very high | 98.5 | Very high | 67 Ų | 67 | 29.7 Ų | 29.7 | 31% | 0.313 | 14% | 0.143 | S | C | . | . | H | α-helix | trans | -59.6 | -40.7 | -171.5 | -78.6 | -178.8 | -129.7 | 0 | 0 | 113.5 | K6 N278 S279 | K6-E275 WeakPolarHBondContact CE-OE2 3.37Å; K6-E275 IonicContact NZ-OE1 2.66Å; K6-E275 PolarHBondContact NZ-OE1 3.28Å; K6-E275 IonicContact NZ-OE2 3.52Å; K6-E275 PolarHBondContact NZ-OE2 3.19Å; E275-N278 PolarHBondContact O-N 3.06Å; E275-S279 VanDerWaalsContact O-CB 3.31Å; E275-S279 WeakPolarHBondContact O-CB 3.43Å; E275-S279 PolarHBondContact O-N 3.13Å; E275-S279 PolarHBondContact O-OG 2.85Å |
| 276 | V | 98.7 | Very high | 98.5 | Very high | 2 Ų | 2 | 30 Ų | 30 | 1% | 0.012 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -62.9 | -48.5 | 177.8 | 174.5 | 0 | 0 | 0 | 0 | 110.4 | E3 F4 V9 I266 L268 L274 N278 S279 I280 | E3-V276 HydrophobicContact CB-CG2 4.34Å; F4-V276 HydrophobicContact CD2-CG1 4.48Å; F4-V276 HydrophobicContact CE2-CG1 3.94Å; F4-V276 HydrophobicContact CZ-CG1 4.02Å; V9-V276 HydrophobicContact CG2-CG2 3.9Å; I266-V276 HydrophobicContact CD1-CG1 4.41Å; I266-V276 HydrophobicContact CG2-CG1 4.45Å; L268-V276 HydrophobicContact CD1-CB 4.38Å; L268-V276 HydrophobicContact CD2-CB 4.22Å; L268-V276 HydrophobicContact CD2-CG1 4.46Å; L268-V276 HydrophobicContact CD2-CG2 3.83Å; L274-V276 VanDerWaalsContact C-N 3.35Å; L274-V276 PolarHBondContact O-N 3.39Å; V276-N278 PolarHBondContact O-N 3.38Å; V276-S279 PolarHBondContact O-N 3.43Å; V276-S279 PolarHBondContact O-OG 2.94Å; V276-I280 HydrophobicContact CG1-CD1 4.13Å; V276-I280 WeakPolarHBondContact O-CD1 3.26Å; V276-I280 WeakPolarHBondContact O-CG1 3.38Å; V276-I280 PolarHBondContact O-N 3.01Å; V276-I280 VanDerWaalsContact O-N 3.14Å |
| 277 | A | 98.6 | Very high | 98.4 | Very high | 1 Ų | 1 | 31.6 Ų | 31.6 | 1% | 0.008 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -60.7 | -45.8 | 176.1 | 0 | 0 | 0 | 0 | 0 | 111.6 | F137 L224 I246 L274 S279 I280 L281 | F137-A277 HydrophobicContact CD2-CB 4.48Å; F137-A277 HydrophobicContact CE2-CB 4.25Å; L224-A277 HydrophobicContact CD2-CB 4.35Å; I246-A277 HydrophobicContact CD1-CB 4.41Å; L274-A277 PolarHBondContact O-N 3.32Å; A277-S279 VanDerWaalsContact C-N 3.33Å; A277-S279 PolarHBondContact O-N 2.88Å; A277-I280 WeakPolarHBondContact O-CB 2.83Å; A277-I280 PolarHBondContact O-N 3.24Å; A277-L281 WeakPolarHBondContact O-CG 3.17Å; A277-L281 PolarHBondContact O-N 2.85Å |
| 278 | N | 98.8 | Very high | 98.4 | Very high | 12 Ų | 12 | 33.3 Ų | 33.3 | 6% | 0.064 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -60.4 | -39.9 | 177 | -78.6 | -22.2 | 0 | 0 | 0 | 112.7 | G133 F137 L274 E275 V276 I280 L281 Q282 | G133-N278 PolarHBondContact O-ND2 2.79Å; F137-N278 WeakPolarHBondContact CA-OD1 3.4Å; F137-N278 VanDerWaalsContact CB-OD1 3.27Å; F137-N278 WeakPolarHBondContact CB-OD1 3.34Å; F137-N278 PolarHBondContact N-OD1 3.3Å; L274-N278 WeakPolarHBondContact O-CB 3.39Å; L274-N278 PolarHBondContact O-N 3.18Å; E275-N278 PolarHBondContact O-N 3.06Å; V276-N278 PolarHBondContact O-N 3.38Å; N278-I280 VanDerWaalsContact C-N 3.31Å; N278-I280 PolarHBondContact O-N 3.47Å; N278-L281 PolarHBondContact O-N 2.98Å; N278-Q282 WeakPolarHBondContact O-CB 3.36Å; N278-Q282 PolarHBondContact O-N 3.46Å |
| 279 | S | 98.6 | Very high | 98.4 | Very high | 10 Ų | 10 | 35.2 Ų | 35.2 | 7% | 0.07 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -65.8 | -35.2 | 177.7 | 74.7 | 0 | 0 | 0 | 0 | 112.1 | M1 E3 E275 V276 A277 Q282 K283 | M1-S279 VanDerWaalsContact CE-C 3.42Å; M1-S279 VanDerWaalsContact CE-O 3.31Å; M1-S279 WeakPolarHBondContact CE-O 3.27Å; M1-S279 WeakPolarHBondContact CE-OG 3.41Å; E3-S279 VanDerWaalsContact CD-CB 3.44Å; E275-S279 VanDerWaalsContact O-CB 3.31Å; E275-S279 WeakPolarHBondContact O-CB 3.43Å; E275-S279 PolarHBondContact O-N 3.13Å; E275-S279 PolarHBondContact O-OG 2.85Å; V276-S279 PolarHBondContact O-N 3.43Å; V276-S279 PolarHBondContact O-OG 2.94Å; A277-S279 VanDerWaalsContact C-N 3.33Å; A277-S279 PolarHBondContact O-N 2.88Å; S279-Q282 PolarHBondContact O-N 2.81Å; S279-K283 WeakPolarHBondContact O-CG 3.29Å; S279-K283 PolarHBondContact O-N 2.85Å |
| 280 | I | 98.8 | Very high | 98.4 | Very high | 0 Ų | 0 | 36.1 Ų | 36.1 | 0% | 0 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -68.7 | -49.2 | 174 | -65.4 | 157.9 | 0 | 0 | 0 | 109.8 | M1 F4 I21 L24 I222 L244 I246 I266 V276 A277 N278 Q282 K283 I284 | M1-I280 HydrophobicContact CE-CG1 4.35Å; F4-I280 HydrophobicContact CE2-CD1 4.45Å; F4-I280 HydrophobicContact CE2-CG1 4.11Å; F4-I280 HydrophobicContact CZ-CD1 3.91Å; F4-I280 HydrophobicContact CZ-CG1 3.86Å; I21-I280 HydrophobicContact CD1-CD1 4.38Å; I21-I280 HydrophobicContact CD1-CG1 4.16Å; L24-I280 HydrophobicContact CD1-CG2 4.47Å; I222-I280 HydrophobicContact CD1-CG2 4Å; L244-I280 HydrophobicContact CD2-CD1 3.66Å; L244-I280 HydrophobicContact CD2-CG2 4.47Å; I246-I280 HydrophobicContact CD1-CD1 3.87Å; I266-I280 HydrophobicContact CD1-CD1 4.23Å; V276-I280 HydrophobicContact CG1-CD1 4.13Å; V276-I280 WeakPolarHBondContact O-CD1 3.26Å; V276-I280 WeakPolarHBondContact O-CG1 3.38Å; V276-I280 PolarHBondContact O-N 3.01Å; V276-I280 VanDerWaalsContact O-N 3.14Å; A277-I280 WeakPolarHBondContact O-CB 2.83Å; A277-I280 PolarHBondContact O-N 3.24Å; N278-I280 VanDerWaalsContact C-N 3.31Å; N278-I280 PolarHBondContact O-N 3.47Å; I280-Q282 PolarHBondContact O-N 3.07Å; I280-K283 PolarHBondContact O-N 2.66Å; I280-I284 HydrophobicContact CG2-CD1 3.63Å; I280-I284 HydrophobicContact CG2-CG1 4.41Å; I280-I284 WeakPolarHBondContact O-CG1 3.32Å; I280-I284 PolarHBondContact O-N 3.45Å; I280-I284 VanDerWaalsContact O-N 3.15Å |
| 281 | L | 98.7 | Very high | 98.4 | Very high | 0 Ų | 0 | 29.7 Ų | 29.7 | 0% | 0 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -56.8 | -36.8 | 175.7 | -68.3 | 175.8 | 0 | 0 | 0 | 111.6 | L32 I34 F137 K140 L141 I222 A277 N278 K283 I284 L285 | L32-L281 HydrophobicContact CD2-CD2 3.85Å; I34-L281 HydrophobicContact CD1-CD2 4.24Å; F137-L281 HydrophobicContact CD2-CD1 3.65Å; F137-L281 HydrophobicContact CE2-CD1 3.78Å; K140-L281 WeakPolarHBondContact CE-O 3.21Å; L141-L281 HydrophobicContact CD1-CD1 4.32Å; L141-L281 HydrophobicContact CD2-CD1 3.96Å; L141-L281 HydrophobicContact CD2-CD2 3.82Å; L141-L281 HydrophobicContact CG-CD1 4.06Å; I222-L281 HydrophobicContact CD1-CD2 3.95Å; A277-L281 WeakPolarHBondContact O-CG 3.17Å; A277-L281 PolarHBondContact O-N 2.85Å; N278-L281 PolarHBondContact O-N 2.98Å; L281-K283 PolarHBondContact O-N 2.85Å; L281-I284 PolarHBondContact O-N 2.97Å; L281-L285 HydrophobicContact CB-CD1 4.48Å; L281-L285 HydrophobicContact CD2-CD1 4.23Å; L281-L285 WeakPolarHBondContact O-CB 3.44Å; L281-L285 PolarHBondContact O-N 3.16Å |
| 282 | Q | 98.3 | Very high | 98.4 | Very high | 114 Ų | 114 | 31.1 Ų | 31.1 | 53% | 0.533 | 15% | 0.148 | S | C | . | . | H | α-helix | trans | -65 | -21.6 | 176.3 | -174.2 | 55.3 | 54 | 0 | 0 | 114.2 | K140 N278 S279 I280 | K140-Q282 VanDerWaalsContact NZ-CD 3.28Å; N278-Q282 WeakPolarHBondContact O-CB 3.36Å; N278-Q282 PolarHBondContact O-N 3.46Å; S279-Q282 PolarHBondContact O-N 2.81Å; I280-Q282 PolarHBondContact O-N 3.07Å |
| 283 | K | 98.2 | Very high | 98.4 | Very high | 125 Ų | 125 | 30.9 Ų | 30.9 | 54% | 0.543 | 15% | 0.148 | S | C | . | . | H | α-helix | trans | -90.3 | -28.3 | 174.6 | -62.6 | -61.5 | -176.5 | -175.7 | 0 | 112.8 | M1 I25 S279 I280 L281 | M1-K283 HydrophobicContact CE-CG 4.14Å; M1-K283 HydrophobicContact SD-CG 4.4Å; I25-K283 HydrophobicContact CD1-CB 3.81Å; I25-K283 HydrophobicContact CG1-CB 4.07Å; S279-K283 WeakPolarHBondContact O-CG 3.29Å; S279-K283 PolarHBondContact O-N 2.85Å; I280-K283 PolarHBondContact O-N 2.66Å; L281-K283 PolarHBondContact O-N 2.85Å |
| 284 | I | 98.1 | Very high | 98.4 | Very high | 14 Ų | 14 | 33.1 Ų | 33.1 | 7% | 0.072 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -83.6 | -40.4 | -178.8 | -59.6 | 163.3 | 0 | 0 | 0 | 111.5 | L24 I25 L32 I222 I280 L281 | L24-I284 HydrophobicContact CB-CD1 3.66Å; L24-I284 HydrophobicContact CB-CG1 4.03Å; L24-I284 HydrophobicContact CD1-CD1 4.1Å; L24-I284 HydrophobicContact CG-CD1 4.49Å; I25-I284 HydrophobicContact CG1-CG1 3.98Å; L32-I284 HydrophobicContact CD2-CD1 4.47Å; L32-I284 HydrophobicContact CD2-CG2 4.15Å; I222-I284 HydrophobicContact CD1-CD1 4.01Å; I280-I284 HydrophobicContact CG2-CD1 3.63Å; I280-I284 HydrophobicContact CG2-CG1 4.41Å; I280-I284 WeakPolarHBondContact O-CG1 3.32Å; I280-I284 PolarHBondContact O-N 3.45Å; I280-I284 VanDerWaalsContact O-N 3.15Å; L281-I284 PolarHBondContact O-N 2.97Å |
| 285 | L | 96.8 | Very high | 98.4 | Very high | 52 Ų | 52 | 36.1 Ų | 36.1 | 27% | 0.272 | 17% | 0.172 | S | C | . | . | trans | -111.1 | 0 | -170.1 | -53.3 | 176 | 0 | 0 | 0 | 112.1 | A29 L32 K140 L141 H144 I146 L281 | A29-L285 HydrophobicContact CB-CD2 3.55Å; L32-L285 HydrophobicContact CD2-CD2 4.28Å; K140-L285 WeakPolarHBondContact CE-O 3.47Å; K140-L285 HydrophobicContact CG-CD1 4.14Å; K140-L285 PolarHBondContact NZ-O 3.42Å; L141-L285 HydrophobicContact CD2-CD1 4.44Å; H144-L285 HydrophobicContact CB-CD1 4.36Å; H144-L285 HydrophobicContact CB-CD2 4.14Å; I146-L285 HydrophobicContact CD1-CD2 3.81Å; I146-L285 HydrophobicContact CG1-CD1 4.03Å; I146-L285 HydrophobicContact CG1-CD2 4.13Å; L281-L285 HydrophobicContact CB-CD1 4.48Å; L281-L285 HydrophobicContact CD2-CD1 4.23Å; L281-L285 WeakPolarHBondContact O-CB 3.44Å; L281-L285 PolarHBondContact O-N 3.16Å |
Retrieved 285 of 285 residues in 83.5 ms
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