| 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 | 60.4 | Low | 89.6 | Confident | 205 Ų | 205 | 90.1 Ų | 90.1 | 100% | 1.01 | 42% | 0.416 | S | S | * | . | 0 | 150 | 0 | -68.2 | 170.1 | -178.5 | 0 | 0 | 108.2 | Y3 | M1-Y3 WeakPolarHBondContact CB-O 3.16Å; M1-Y3 PolarHBondContact O-N 3.46Å | |||
| 2 | K | 83.7 | Confident | 90.2 | Very high | 110 Ų | 110 | 89.9 Ų | 89.9 | 48% | 0.478 | 43% | 0.426 | S | S | . | . | trans | -69.5 | -20.8 | 174.6 | -70.3 | -171 | -176.2 | 171.5 | 0 | 111.9 | Y299 K350 | K2-Y299 HydrophobicContact CB-CE1 3.89Å; K2-Y299 HydrophobicContact CD-CE1 3.65Å; K2-Y299 WeakPolarHBondContact CD-OH 3.11Å; K2-Y299 HydrophobicContact CG-CE1 4.44Å; K2-K350 WeakPolarHBondContact O-CB 2.93Å; K2-K350 PolarHBondContact O-N 2.63Å | ||
| 3 | Y | 90.4 | Very high | 90.7 | Very high | 74 Ų | 74 | 83.4 Ų | 83.4 | 29% | 0.29 | 40% | 0.396 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -151.9 | 167.3 | 175.2 | 68.4 | -74.5 | 0 | 0 | 0 | 110.8 | M1 Y299 K300 F301 I348 | M1-Y3 WeakPolarHBondContact CB-O 3.16Å; M1-Y3 PolarHBondContact O-N 3.46Å; Y3-Y299 AromaticContact CD1-CD1 3.38Å; Y3-Y299 HydrophobicContact CD1-CD1 3.38Å; Y3-Y299 HydrophobicContact CD1-CE1 4.25Å; Y3-Y299 AromaticContact CD1-CG 3.56Å; Y3-Y299 HydrophobicContact CD1-CG 3.56Å; Y3-Y299 AromaticContact CE1-CD1 3.5Å; Y3-Y299 HydrophobicContact CE1-CD1 3.5Å; Y3-Y299 VanDerWaalsContact CE1-CD1 3.5Å; Y3-Y299 AromaticContact CE1-CG 3.89Å; Y3-Y299 HydrophobicContact CE1-CG 3.89Å; Y3-Y299 HydrophobicContact CG-CD1 4.36Å; Y3-Y299 HydrophobicContact CG-CG 4.11Å; Y3-K300 VanDerWaalsContact CE2-O 3.22Å; Y3-K300 WeakPolarHBondContact CE2-O 3.44Å; Y3-K300 VanDerWaalsContact CZ-O 3.31Å; Y3-K300 PolarHBondContact OH-O 3.49Å; Y3-F301 HydrophobicContact CD2-CB 4.21Å; Y3-F301 HydrophobicContact CE2-CB 3.97Å; Y3-I348 CarbonylContact C-O 3.59Å; Y3-I348 WeakPolarHBondContact CA-O 3.39Å; Y3-I348 WeakPolarHBondContact CB-O 3.42Å |
| 4 | S | 92.5 | Very high | 91 | Very high | 50 Ų | 50 | 88.4 Ų | 88.4 | 35% | 0.35 | 42% | 0.419 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.8 | 142.5 | 168.5 | 62.5 | 0 | 0 | 0 | 0 | 111 | I348 | S4-I348 PolarHBondContact N-O 2.74Å; S4-I348 PolarHBondContact O-N 3.09Å |
| 5 | W | 93.9 | Very high | 91.4 | Very high | 58 Ų | 58 | 85.5 Ų | 85.5 | 22% | 0.22 | 40% | 0.403 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.4 | 139.1 | 172.2 | 173.6 | -115.9 | 0 | 0 | 0 | 110.5 | F301 V332 E343 G345 E346 L347 | W5-F301 HydrophobicContact CB-CB 4.01Å; W5-F301 HydrophobicContact CB-CD2 4.39Å; W5-F301 AromaticContact CD2-CD2 3.64Å; W5-F301 HydrophobicContact CD2-CD2 3.64Å; W5-F301 HydrophobicContact CD2-CE2 4.24Å; W5-F301 AromaticContact CE3-CD2 3.58Å; W5-F301 HydrophobicContact CE3-CD2 3.58Å; W5-F301 AromaticContact CE3-CE2 3.92Å; W5-F301 HydrophobicContact CE3-CE2 3.92Å; W5-F301 HydrophobicContact CG-CB 4.45Å; W5-F301 HydrophobicContact CG-CD2 4.03Å; W5-F301 HydrophobicContact CH2-CD2 4.45Å; W5-F301 HydrophobicContact CH2-CE2 4.09Å; W5-F301 HydrophobicContact CZ2-CE2 4.42Å; W5-F301 HydrophobicContact CZ3-CD2 4.02Å; W5-F301 AromaticContact CZ3-CE2 3.86Å; W5-F301 HydrophobicContact CZ3-CE2 3.86Å; W5-V332 HydrophobicContact CH2-CB 3.91Å; W5-V332 HydrophobicContact CH2-CG1 4.28Å; W5-V332 HydrophobicContact CZ3-CB 3.69Å; W5-V332 HydrophobicContact CZ3-CG1 4.33Å; W5-V332 HydrophobicContact CZ3-CG2 3.99Å; W5-E343 HydrophobicContact CZ2-CG 4.48Å; W5-E343 WeakPolarHBondContact CZ2-OE1 3.23Å; W5-E343 PolarHBondContact NE1-OE1 2.91Å; W5-G345 WeakPolarHBondContact CZ3-O 3.32Å; W5-E346 CarbonylContact C-O 3.56Å; W5-E346 WeakPolarHBondContact CA-O 3.42Å; W5-L347 HydrophobicContact CE3-CB 4.07Å; W5-L347 HydrophobicContact CZ3-CB 4.25Å |
| 6 | K | 93.4 | Very high | 91.7 | Very high | 145 Ų | 145 | 82.9 Ų | 82.9 | 63% | 0.63 | 39% | 0.391 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -137.8 | 111.5 | 171.6 | -178.6 | -176.3 | 175.2 | -171.5 | 0 | 109.4 | Q8 G345 E346 | K6-Q8 PolarHBondContact O-N 2.61Å; K6-G345 CarbonylContact O-C 3.59Å; K6-G345 WeakPolarHBondContact O-CA 3.37Å; K6-E346 PolarHBondContact N-O 3.12Å; K6-E346 PolarHBondContact O-N 3.24Å |
| 7 | E | 93.9 | Very high | 92.1 | Very high | 100 Ų | 100 | 78 Ų | 78 | 47% | 0.467 | 37% | 0.368 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -55.9 | 132.3 | 168.1 | -172.9 | -172.9 | 115.8 | 0 | 0 | 109.8 | E343 | E7-E343 HydrophobicContact CG-CG 3.78Å |
| 8 | Q | 92.6 | Very high | 92.3 | Very high | 34 Ų | 34 | 74.4 Ų | 74.4 | 16% | 0.159 | 35% | 0.351 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.1 | -42.3 | 179 | -70.8 | -177.6 | -53.7 | 0 | 0 | 111.9 | K6 D56 Y57 Q58 F344 | K6-Q8 PolarHBondContact O-N 2.61Å; Q8-D56 PolarHBondContact NE2-O 2.84Å; Q8-D56 VanDerWaalsContact NE2-O 3.15Å; Q8-Y57 PolarHBondContact OE1-O 2.5Å; Q8-Q58 HydrophobicContact CB-CG 4.49Å; Q8-F344 PolarHBondContact N-O 3.21Å |
| 9 | S | 93.1 | Very high | 92.6 | Very high | 28 Ų | 28 | 70.7 Ų | 70.7 | 20% | 0.196 | 33% | 0.334 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -152.8 | 152 | 173.7 | 59.9 | 0 | 0 | 0 | 0 | 111.1 | Y59 F344 | S9-Y59 PolarHBondContact OG-O 3.14Å; S9-F344 PolarHBondContact N-O 2.72Å; S9-F344 VanDerWaalsContact N-O 3.12Å; S9-F344 PolarHBondContact O-N 3.07Å |
| 10 | K | 94.5 | Very high | 92.9 | Very high | 106 Ų | 106 | 67.5 Ų | 67.5 | 46% | 0.461 | 32% | 0.319 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.7 | 136.4 | 176.8 | -178.2 | 173.2 | -179.8 | 166.8 | 0 | 109.4 | I342 | K10-I342 CarbonylContact C-O 3.55Å; K10-I342 WeakPolarHBondContact CA-O 3.43Å |
| 11 | Y | 96.7 | Very high | 93.2 | Very high | 81 Ų | 81 | 65.7 Ų | 65.7 | 32% | 0.318 | 31% | 0.31 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.9 | 146.1 | 174.7 | -178 | -99 | 0 | 0 | 0 | 109.2 | A13 L48 F50 L61 T341 I342 | Y11-A13 HydrophobicContact CE1-CB 4.15Å; Y11-L48 HydrophobicContact CE1-CD2 4.36Å; Y11-F50 HydrophobicContact CD1-CE1 4.34Å; Y11-F50 AromaticContact CD1-CZ 3.85Å; Y11-F50 HydrophobicContact CD1-CZ 3.85Å; Y11-F50 HydrophobicContact CG-CE1 4.11Å; Y11-F50 HydrophobicContact CG-CZ 4.09Å; Y11-L61 HydrophobicContact CD2-CB 4.43Å; Y11-L61 HydrophobicContact CE1-CD2 4.18Å; Y11-L61 HydrophobicContact CE2-CB 4.33Å; Y11-L61 HydrophobicContact CE2-CD2 3.72Å; Y11-L61 WeakPolarHBondContact OH-CD2 3.37Å; Y11-T341 WeakPolarHBondContact O-CA 3.21Å; Y11-I342 HydrophobicContact CD1-CD1 3.86Å; Y11-I342 PolarHBondContact N-O 2.93Å; Y11-I342 PolarHBondContact O-N 3.24Å |
| 12 | V | 96.9 | Very high | 94.9 | Very high | 88 Ų | 88 | 56.4 Ų | 56.4 | 53% | 0.533 | 26% | 0.264 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114 | 113.4 | 174.8 | -177.3 | 0 | 0 | 0 | 0 | 106.9 | N340 T341 | V12-N340 CarbonylContact C-O 3.53Å; V12-N340 WeakPolarHBondContact CA-O 3.09Å; V12-N340 HydrophobicContact CG1-CB 4.21Å; V12-T341 HydrophobicContact CG2-CG2 4.5Å |
| 13 | A | 97 | Very high | 95.5 | Very high | 5 Ų | 5 | 51.2 Ų | 51.2 | 4% | 0.041 | 24% | 0.242 | C | C | . | . | trans | -74.8 | 157 | 178.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | Y11 Y15 T17 L48 N340 I342 | Y11-A13 HydrophobicContact CE1-CB 4.15Å; A13-Y15 WeakPolarHBondContact CB-O 3.35Å; A13-T17 HydrophobicContact CB-CG2 3.64Å; A13-L48 HydrophobicContact CB-CD1 4.07Å; A13-N340 HydrophobicContact CB-CB 4.4Å; A13-N340 PolarHBondContact N-O 3.48Å; A13-N340 VanDerWaalsContact O-CB 3.32Å; A13-N340 WeakPolarHBondContact O-CB 3.21Å; A13-N340 PolarHBondContact O-ND2 2.87Å; A13-I342 HydrophobicContact CB-CD1 4.01Å | ||
| 14 | E | 95.5 | Very high | 95.5 | Very high | 154 Ų | 154 | 52.6 Ų | 52.6 | 72% | 0.72 | 26% | 0.262 | S | S | * | . | S | Bend | trans | -64.3 | -45 | 174.6 | -175.8 | 175.1 | 179.6 | 0 | 0 | 111.4 | ||
| 15 | Y | 96.2 | Very high | 95.4 | Very high | 44 Ų | 44 | 54.6 Ų | 54.6 | 17% | 0.173 | 27% | 0.269 | C | S | . | . | S | Bend | trans | -106 | 166.7 | 177.5 | -56.5 | -44.7 | 0 | 0 | 0 | 111.6 | A13 E35 L44 | A13-Y15 WeakPolarHBondContact CB-O 3.35Å; Y15-E35 HydrophobicContact CD1-CB 3.68Å; Y15-E35 HydrophobicContact CD1-CG 4.31Å; Y15-E35 VanDerWaalsContact CD1-OE2 3.23Å; Y15-E35 WeakPolarHBondContact CD1-OE2 3.05Å; Y15-E35 HydrophobicContact CE1-CB 4.36Å; Y15-E35 WeakPolarHBondContact CE1-OE2 3.22Å; Y15-E35 HydrophobicContact CG-CB 4Å; Y15-L44 HydrophobicContact CE2-CB 4.25Å |
| 16 | H | 97 | Very high | 95.4 | Very high | 44 Ų | 44 | 51.8 Ų | 51.8 | 20% | 0.204 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -58.3 | 146.8 | 172.9 | -54.2 | -48.5 | 0 | 0 | 0 | 110.9 | S33 Y34 F337 N340 | H16-S33 CarbonylContact O-C 3.49Å; H16-S33 WeakPolarHBondContact O-CA 2.9Å; H16-S33 WeakPolarHBondContact O-CB 3.39Å; H16-Y34 VanDerWaalsContact CB-O 3.29Å; H16-Y34 WeakPolarHBondContact CB-O 3.24Å; H16-Y34 PolarHBondContact N-O 2.7Å; H16-Y34 PolarHBondContact O-N 2.79Å; H16-F337 WeakPolarHBondContact CA-O 3.42Å; H16-F337 HydrophobicContact CB-CD1 4.14Å; H16-F337 HydrophobicContact CB-CD2 3.67Å; H16-F337 HydrophobicContact CB-CE1 3.97Å; H16-F337 HydrophobicContact CB-CE2 3.5Å; H16-F337 VanDerWaalsContact CB-CE2 3.5Å; H16-F337 HydrophobicContact CB-CG 3.99Å; H16-F337 HydrophobicContact CB-CZ 3.65Å; H16-F337 WeakPolarHBondContact CB-O 3.41Å; H16-F337 AromaticContact CD2-CE1 3.62Å; H16-F337 AromaticContact CD2-CZ 3.64Å; H16-F337 AromaticContact CG-CE1 3.78Å; H16-F337 AromaticContact CG-CZ 3.82Å; H16-F337 PolarHBondContact ND1-O 3.06Å; H16-F337 VanDerWaalsContact ND1-O 3.13Å; H16-N340 WeakPolarHBondContact CA-OD1 3.37Å; H16-N340 PolarHBondContact ND1-OD1 3.22Å |
| 17 | T | 97.3 | Very high | 95.3 | Very high | 0 Ų | 0 | 45.3 Ų | 45.3 | 0% | 0 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.2 | 127.6 | -176.9 | 55.7 | 0 | 0 | 0 | 0 | 110.4 | A13 C335 S336 I342 | A13-T17 HydrophobicContact CB-CG2 3.64Å; T17-C335 WeakPolarHBondContact OG1-CB 3.28Å; T17-S336 PolarHBondContact OG1-N 3.24Å; T17-S336 PolarHBondContact OG1-O 2.93Å; T17-I342 HydrophobicContact CG2-CD1 3.65Å; T17-I342 HydrophobicContact CG2-CG1 3.88Å |
| 18 | D | 96.5 | Very high | 95.4 | Very high | 13 Ų | 13 | 40.8 Ų | 40.8 | 7% | 0.07 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.6 | -35.9 | -169.2 | -148.4 | -56.3 | 0 | 0 | 0 | 112.5 | G32 L71 Y310 | D18-G32 PolarHBondContact N-O 2.76Å; D18-G32 VanDerWaalsContact N-O 3.1Å; D18-L71 HydrophobicContact CB-CD2 4.29Å; D18-L71 WeakPolarHBondContact OD2-CD2 3.36Å; D18-Y310 HydrophobicContact CB-CD1 4.28Å; D18-Y310 WeakPolarHBondContact O-CB 3.25Å; D18-Y310 WeakPolarHBondContact O-CD1 3.32Å; D18-Y310 WeakPolarHBondContact OD1-CD1 3.26Å; D18-Y310 WeakPolarHBondContact OD1-CE1 3.34Å |
| 19 | T | 98.3 | Very high | 95.6 | Very high | 5 Ų | 5 | 39.2 Ų | 39.2 | 3% | 0.031 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.3 | 149.1 | -175.9 | -174.4 | 0 | 0 | 0 | 0 | 111.4 | C31 G32 D72 I73 | T19-C31 CarbonylContact O-C 3.59Å; T19-C31 VanDerWaalsContact O-CA 3.31Å; T19-C31 WeakPolarHBondContact O-CA 2.95Å; T19-C31 PolarHBondContact O-SG 3.03Å; T19-G32 PolarHBondContact O-N 3.02Å; T19-D72 PolarHBondContact OG1-OD1 2.86Å; T19-I73 HydrophobicContact CG2-CB 4.41Å; T19-I73 HydrophobicContact CG2-CD1 3.67Å; T19-I73 HydrophobicContact CG2-CG1 3.79Å |
| 20 | V | 98.4 | Very high | 95.9 | Very high | 5 Ų | 5 | 37.9 Ų | 37.9 | 3% | 0.03 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.5 | 143.1 | 170.3 | -76.1 | 0 | 0 | 0 | 0 | 110.4 | L30 C31 V333 C335 I342 | V20-L30 CarbonylContact C-O 3.59Å; V20-L30 VanDerWaalsContact CA-O 3.23Å; V20-L30 WeakPolarHBondContact CA-O 3.25Å; V20-C31 HydrophobicContact CG1-CB 3.65Å; V20-C31 VanDerWaalsContact CG1-SG 3.52Å; V20-V333 HydrophobicContact CB-CG1 4.07Å; V20-V333 HydrophobicContact CB-CG2 4.15Å; V20-V333 HydrophobicContact CG1-CG2 4.14Å; V20-V333 HydrophobicContact CG2-CG1 4.02Å; V20-V333 HydrophobicContact CG2-CG2 4.3Å; V20-C335 HydrophobicContact CG1-CB 3.63Å; V20-C335 HydrophobicContact CG2-CB 4.32Å; V20-I342 HydrophobicContact CG1-CG2 4.48Å |
| 21 | E | 98.2 | Very high | 96.1 | Very high | 30 Ų | 30 | 32.9 Ų | 32.9 | 14% | 0.14 | 17% | 0.172 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -150.1 | 132.5 | 178.1 | -171 | 166.1 | -140.7 | 0 | 0 | 112.6 | A29 L30 I73 S74 W75 K260 D313 | E21-A29 CarbonylContact O-C 3.59Å; E21-A29 VanDerWaalsContact O-CA 3.3Å; E21-A29 WeakPolarHBondContact O-CA 3.46Å; E21-L30 PolarHBondContact N-O 3.46Å; E21-L30 PolarHBondContact O-N 3.44Å; E21-I73 VanDerWaalsContact OE2-O 3.11Å; E21-S74 WeakPolarHBondContact OE2-CA 3.47Å; E21-W75 VanDerWaalsContact OE2-CD1 3.31Å; E21-W75 PolarHBondContact OE2-N 2.79Å; E21-K260 IonicContact OE1-NZ 2.68Å; E21-K260 PolarHBondContact OE1-NZ 2.74Å; E21-D313 WeakPolarHBondContact CA-OD2 3.23Å; E21-D313 WeakPolarHBondContact CG-OD2 3.29Å |
| 22 | F | 97.5 | Very high | 96.2 | Very high | 10 Ų | 10 | 29 Ų | 29 | 4% | 0.044 | 16% | 0.157 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -75 | 141.2 | 170.1 | -78.2 | -65.3 | 0 | 0 | 0 | 111 | A29 Y59 W75 D313 T331 V333 F344 | F22-A29 HydrophobicContact CD1-CB 3.67Å; F22-A29 HydrophobicContact CE1-CB 3.85Å; F22-A29 HydrophobicContact CG-CB 4.46Å; F22-Y59 HydrophobicContact CD1-CE1 4.2Å; F22-Y59 HydrophobicContact CE1-CD1 4.39Å; F22-Y59 AromaticContact CE1-CE1 3.68Å; F22-Y59 HydrophobicContact CE1-CE1 3.68Å; F22-Y59 AromaticContact CE1-CE2 3.98Å; F22-Y59 HydrophobicContact CE1-CE2 3.98Å; F22-Y59 AromaticContact CE1-CZ 3.42Å; F22-Y59 VanDerWaalsContact CE1-CZ 3.42Å; F22-Y59 WeakPolarHBondContact CE1-OH 3.26Å; F22-Y59 HydrophobicContact CZ-CE2 4.46Å; F22-W75 PolarHBondContact O-NE1 3.34Å; F22-D313 HydrophobicContact CD2-CB 3.98Å; F22-D313 PolarHBondContact N-OD2 2.91Å; F22-T331 HydrophobicContact CZ-CG2 3.85Å; F22-V333 HydrophobicContact CD2-CG1 3.73Å; F22-V333 HydrophobicContact CE1-CB 4.32Å; F22-V333 HydrophobicContact CE1-CG1 4.24Å; F22-V333 HydrophobicContact CE2-CB 3.77Å; F22-V333 HydrophobicContact CE2-CG1 3.37Å; F22-V333 HydrophobicContact CG-CG1 4.33Å; F22-V333 HydrophobicContact CZ-CB 3.61Å; F22-V333 HydrophobicContact CZ-CG1 3.65Å; F22-F344 HydrophobicContact CE1-CD1 4.27Å; F22-F344 AromaticContact CE1-CE1 3.91Å; F22-F344 HydrophobicContact CE1-CE1 3.91Å; F22-F344 HydrophobicContact CZ-CD1 4.09Å; F22-F344 HydrophobicContact CZ-CE1 4.08Å |
| 23 | C | 95.6 | Very high | 96.2 | Very high | 1 Ų | 1 | 25.1 Ų | 25.1 | 1% | 0.007 | 13% | 0.134 | C | C | . | . | trans | -60.5 | 149.8 | 159.3 | -176.8 | 0 | 0 | 0 | 0 | 109.5 | D25 G26 M28 W75 G78 | C23-D25 PolarHBondContact O-N 3.18Å; C23-G26 PolarHBondContact O-N 2.98Å; C23-M28 HydrophobicContact CB-CB 4.14Å; C23-M28 HydrophobicContact CB-CE 4.46Å; C23-M28 PolarHBondContact N-O 3.26Å; C23-W75 HydrophobicContact CB-CD2 4.19Å; C23-W75 HydrophobicContact CB-CE3 4.36Å; C23-W75 HydrophobicContact CB-CH2 3.85Å; C23-W75 HydrophobicContact CB-CZ2 3.62Å; C23-W75 HydrophobicContact CB-CZ3 4.22Å; C23-G78 VanDerWaalsContact SG-C 3.59Å; C23-G78 PolarHBondContact SG-O 3.01Å | ||
| 24 | S | 91.1 | Very high | 96.3 | Very high | 103 Ų | 103 | 26.3 Ų | 26.3 | 72% | 0.72 | 14% | 0.137 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -50.8 | -30.2 | -175 | 61.2 | 0 | 0 | 0 | 0 | 115.8 | ||
| 25 | D | 90.6 | Very high | 96.3 | Very high | 92 Ų | 92 | 22 Ų | 22 | 49% | 0.492 | 12% | 0.117 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -94.3 | -2.1 | 179.5 | 69.5 | -7.3 | 0 | 0 | 0 | 113.9 | C23 S27 | C23-D25 PolarHBondContact O-N 3.18Å; D25-S27 VanDerWaalsContact CG-OG 3.26Å; D25-S27 PolarHBondContact O-N 2.81Å; D25-S27 VanDerWaalsContact OD1-CB 3.26Å; D25-S27 WeakPolarHBondContact OD1-CB 3.14Å; D25-S27 PolarHBondContact OD1-N 2.92Å; D25-S27 PolarHBondContact OD1-OG 2.71Å; D25-S27 PolarHBondContact OD2-OG 3.45Å |
| 26 | G | 92.4 | Very high | 96.3 | Very high | 0 Ų | 0 | 23.2 Ų | 23.2 | 0% | 0 | 13% | 0.126 | C | C | . | . | S | Bend | trans | 61.6 | 26.4 | -174.7 | 0 | 0 | 0 | 0 | 0 | 113.7 | C23 R52 Y59 S315 | C23-G26 PolarHBondContact O-N 2.98Å; G26-R52 WeakPolarHBondContact O-CD 3.41Å; G26-R52 VanDerWaalsContact O-CZ 3.22Å; G26-R52 PolarHBondContact O-NE 2.87Å; G26-R52 PolarHBondContact O-NH1 2.65Å; G26-Y59 PolarHBondContact O-OH 3.35Å; G26-S315 WeakPolarHBondContact CA-OG 3.25Å |
| 27 | S | 92.4 | Very high | 96.2 | Very high | 8 Ų | 8 | 23.3 Ų | 23.3 | 6% | 0.056 | 13% | 0.128 | C | C | . | . | S | Bend | trans | -77.1 | -37.6 | 170.4 | 59.1 | 0 | 0 | 0 | 0 | 111.3 | D25 R52 | D25-S27 VanDerWaalsContact CG-OG 3.26Å; D25-S27 PolarHBondContact O-N 2.81Å; D25-S27 VanDerWaalsContact OD1-CB 3.26Å; D25-S27 WeakPolarHBondContact OD1-CB 3.14Å; D25-S27 PolarHBondContact OD1-N 2.92Å; D25-S27 PolarHBondContact OD1-OG 2.71Å; D25-S27 PolarHBondContact OD2-OG 3.45Å; S27-R52 VanDerWaalsContact O-CB 3.27Å; S27-R52 WeakPolarHBondContact O-CB 3.32Å; S27-R52 PolarHBondContact O-N 3.22Å |
| 28 | M | 95.4 | Very high | 96.1 | Very high | 5 Ų | 5 | 27.4 Ų | 27.4 | 3% | 0.025 | 16% | 0.157 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.8 | 156.5 | -175 | -64.1 | 178.4 | -70.4 | 0 | 0 | 111.3 | C23 L49 F50 W75 C95 T96 D97 | C23-M28 HydrophobicContact CB-CB 4.14Å; C23-M28 HydrophobicContact CB-CE 4.46Å; C23-M28 PolarHBondContact N-O 3.26Å; M28-L49 HydrophobicContact CB-CD1 3.9Å; M28-L49 HydrophobicContact CG-CD1 4.03Å; M28-L49 HydrophobicContact SD-CD1 3.87Å; M28-F50 CarbonylContact C-O 3.54Å; M28-F50 VanDerWaalsContact CA-O 3.23Å; M28-F50 WeakPolarHBondContact CA-O 3.29Å; M28-W75 HydrophobicContact CB-CH2 4.34Å; M28-W75 HydrophobicContact CE-CH2 4.09Å; M28-W75 HydrophobicContact CE-CZ3 4.31Å; M28-C95 HydrophobicContact CE-CB 4.37Å; M28-C95 HydrophobicContact SD-CB 4.12Å; M28-T96 VanDerWaalsContact SD-C 3.6Å; M28-D97 HydrophobicContact CG-CB 4.02Å; M28-D97 HydrophobicContact SD-CB 3.98Å |
| 29 | A | 97.5 | Very high | 96.1 | Very high | 1 Ų | 1 | 33.7 Ų | 33.7 | 1% | 0.008 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.2 | 144.5 | 164.2 | 0 | 0 | 0 | 0 | 0 | 109.8 | E21 F22 F50 F344 | E21-A29 CarbonylContact O-C 3.59Å; E21-A29 VanDerWaalsContact O-CA 3.3Å; E21-A29 WeakPolarHBondContact O-CA 3.46Å; F22-A29 HydrophobicContact CD1-CB 3.67Å; F22-A29 HydrophobicContact CE1-CB 3.85Å; F22-A29 HydrophobicContact CG-CB 4.46Å; A29-F50 HydrophobicContact CB-CB 4.35Å; A29-F50 PolarHBondContact N-O 3.31Å; A29-F50 PolarHBondContact O-N 2.77Å; A29-F344 HydrophobicContact CB-CE1 3.91Å; A29-F344 HydrophobicContact CB-CZ 4.07Å |
| 30 | L | 98.5 | Very high | 95.9 | Very high | 1 Ų | 1 | 37.5 Ų | 37.5 | 1% | 0.005 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.9 | 144.9 | 172 | -67 | 172.4 | 0 | 0 | 0 | 109.9 | V20 E21 L47 L48 L49 I73 W75 A81 | V20-L30 CarbonylContact C-O 3.59Å; V20-L30 VanDerWaalsContact CA-O 3.23Å; V20-L30 WeakPolarHBondContact CA-O 3.25Å; E21-L30 PolarHBondContact N-O 3.46Å; E21-L30 PolarHBondContact O-N 3.44Å; L30-L47 HydrophobicContact CB-CD1 4.15Å; L30-L47 HydrophobicContact CD1-CD1 4.46Å; L30-L47 HydrophobicContact CD1-CD2 4.17Å; L30-L47 HydrophobicContact CD2-CD1 4.38Å; L30-L47 HydrophobicContact CD2-CD2 3.9Å; L30-L47 HydrophobicContact CD2-CG 3.98Å; L30-L48 CarbonylContact C-O 3.58Å; L30-L48 WeakPolarHBondContact CA-O 3.18Å; L30-L49 HydrophobicContact CD2-CB 4.04Å; L30-L49 HydrophobicContact CD2-CD1 3.77Å; L30-I73 HydrophobicContact CB-CD1 4.02Å; L30-I73 HydrophobicContact CB-CG2 4.45Å; L30-I73 HydrophobicContact CD1-CG2 4.08Å; L30-W75 HydrophobicContact CB-CZ2 4.41Å; L30-W75 HydrophobicContact CD1-CH2 3.72Å; L30-W75 HydrophobicContact CD1-CZ2 3.46Å; L30-W75 VanDerWaalsContact CD1-CZ2 3.46Å; L30-W75 HydrophobicContact CD1-CZ3 4.36Å; L30-W75 HydrophobicContact CG-CH2 3.94Å; L30-W75 HydrophobicContact CG-CZ2 3.52Å; L30-A81 HydrophobicContact CD1-CB 3.34Å |
| 31 | C | 98.7 | Very high | 95.7 | Very high | 0 Ų | 0 | 43.3 Ų | 43.3 | 0% | 0 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.7 | 131.1 | 167.5 | -174.4 | 0 | 0 | 0 | 0 | 109.6 | T19 V20 L48 F50 I342 | T19-C31 CarbonylContact O-C 3.59Å; T19-C31 VanDerWaalsContact O-CA 3.31Å; T19-C31 WeakPolarHBondContact O-CA 2.95Å; T19-C31 PolarHBondContact O-SG 3.03Å; V20-C31 HydrophobicContact CG1-CB 3.65Å; V20-C31 VanDerWaalsContact CG1-SG 3.52Å; C31-L48 HydrophobicContact CB-CB 4.14Å; C31-L48 HydrophobicContact CB-CD1 4.13Å; C31-L48 PolarHBondContact N-O 2.88Å; C31-L48 PolarHBondContact O-N 3.08Å; C31-F50 HydrophobicContact CB-CE2 4.12Å; C31-I342 HydrophobicContact CB-CD1 4.12Å; C31-I342 HydrophobicContact CB-CG1 4.2Å; C31-I342 VanDerWaalsContact SG-CG1 3.57Å |
| 32 | G | 98.6 | Very high | 95.6 | Very high | 0 Ų | 0 | 47.4 Ų | 47.4 | 0% | 0 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.1 | 138.3 | 170.7 | 0 | 0 | 0 | 0 | 0 | 110.4 | D18 T19 V70 | D18-G32 PolarHBondContact N-O 2.76Å; D18-G32 VanDerWaalsContact N-O 3.1Å; T19-G32 PolarHBondContact O-N 3.02Å; G32-V70 CarbonylContact C-O 3.56Å |
| 33 | S | 98.2 | Very high | 95.5 | Very high | 6 Ų | 6 | 50.7 Ų | 50.7 | 4% | 0.042 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.7 | 153.6 | 175.6 | 72.7 | 0 | 0 | 0 | 0 | 112.3 | H16 G45 G46 G69 V70 | H16-S33 CarbonylContact O-C 3.49Å; H16-S33 WeakPolarHBondContact O-CA 2.9Å; H16-S33 WeakPolarHBondContact O-CB 3.39Å; S33-G45 WeakPolarHBondContact O-CA 3.48Å; S33-G46 PolarHBondContact N-O 2.98Å; S33-G46 PolarHBondContact O-N 2.88Å; S33-G46 PolarHBondContact OG-N 2.83Å; S33-G46 PolarHBondContact OG-O 3.46Å; S33-G69 CarbonylContact O-C 3.58Å; S33-G69 VanDerWaalsContact O-CA 3.32Å; S33-G69 WeakPolarHBondContact O-CA 3.12Å; S33-V70 PolarHBondContact O-N 2.62Å |
| 34 | Y | 97.3 | Very high | 95.6 | Very high | 31 Ų | 31 | 52.4 Ų | 52.4 | 12% | 0.122 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.1 | 137.8 | -173.8 | 167.2 | -89.3 | 0 | 0 | 0 | 110.8 | H16 R43 L44 L71 A86 F337 | H16-Y34 VanDerWaalsContact CB-O 3.29Å; H16-Y34 WeakPolarHBondContact CB-O 3.24Å; H16-Y34 PolarHBondContact N-O 2.7Å; H16-Y34 PolarHBondContact O-N 2.79Å; Y34-R43 HydrophobicContact CE2-CB 4.04Å; Y34-R43 HydrophobicContact CE2-CG 4.07Å; Y34-R43 PolarHBondContact OH-NH1 2.72Å; Y34-L44 CarbonylContact C-O 3.25Å; Y34-L44 WeakPolarHBondContact CA-O 3.27Å; Y34-L71 HydrophobicContact CD2-CD2 3.71Å; Y34-L71 HydrophobicContact CE2-CD2 4.43Å; Y34-L71 HydrophobicContact CG-CD2 3.78Å; Y34-A86 HydrophobicContact CD2-CB 3.95Å; Y34-A86 HydrophobicContact CE2-CB 3.91Å; Y34-F337 HydrophobicContact CD1-CE2 4.09Å; Y34-F337 HydrophobicContact CD1-CZ 4.06Å; Y34-F337 HydrophobicContact CE1-CZ 4.4Å |
| 35 | E | 96.9 | Very high | 95.9 | Very high | 64 Ų | 64 | 47.6 Ų | 47.6 | 30% | 0.299 | 25% | 0.248 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -147.1 | 139 | 166 | -175.2 | 171.7 | -116.2 | 0 | 0 | 109.8 | Y15 R43 L44 | Y15-E35 HydrophobicContact CD1-CB 3.68Å; Y15-E35 HydrophobicContact CD1-CG 4.31Å; Y15-E35 VanDerWaalsContact CD1-OE2 3.23Å; Y15-E35 WeakPolarHBondContact CD1-OE2 3.05Å; Y15-E35 HydrophobicContact CE1-CB 4.36Å; Y15-E35 WeakPolarHBondContact CE1-OE2 3.22Å; Y15-E35 HydrophobicContact CG-CB 4Å; E35-R43 CarbonylContact O-C 3.53Å; E35-R43 WeakPolarHBondContact O-CA 3.5Å; E35-L44 PolarHBondContact N-O 3.39Å; E35-L44 PolarHBondContact O-N 2.74Å |
| 36 | L | 96.4 | Very high | 96.2 | Very high | 69 Ų | 69 | 43.5 Ų | 43.5 | 36% | 0.361 | 23% | 0.227 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.1 | 113.6 | 169 | 179.8 | 64.7 | 0 | 0 | 0 | 108.8 | S38 R43 | L36-S38 PolarHBondContact O-N 2.92Å; L36-S38 VanDerWaalsContact O-N 3.17Å; L36-R43 HydrophobicContact CD1-CG 3.94Å |
| 37 | N | 95.2 | Very high | 96.5 | Very high | 45 Ų | 45 | 43.6 Ų | 43.6 | 24% | 0.241 | 23% | 0.228 | C | C | . | . | trans | -69.8 | 111.7 | 169.2 | -174.8 | -49 | 0 | 0 | 0 | 108.9 | D39 T40 Q41 E42 L44 | N37-D39 PolarHBondContact O-N 2.94Å; N37-D39 WeakPolarHBondContact OD1-CB 3.33Å; N37-D39 PolarHBondContact OD1-N 2.99Å; N37-T40 WeakPolarHBondContact CB-OG1 3.47Å; N37-T40 PolarHBondContact OD1-N 2.92Å; N37-T40 PolarHBondContact OD1-OG1 3.41Å; N37-Q41 WeakPolarHBondContact O-CA 3.33Å; N37-Q41 PolarHBondContact O-N 3.15Å; N37-E42 HydrophobicContact CB-CB 4.5Å; N37-E42 WeakPolarHBondContact CB-O 3.44Å; N37-E42 PolarHBondContact N-O 2.67Å; N37-L44 HydrophobicContact CB-CD1 4.11Å; N37-L44 HydrophobicContact CB-CG 4.46Å | ||
| 38 | S | 94.1 | Very high | 96.8 | Very high | 86 Ų | 86 | 43.9 Ų | 43.9 | 60% | 0.601 | 23% | 0.229 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -62.6 | -28.9 | -177.2 | 54.5 | 0 | 0 | 0 | 0 | 113.5 | L36 Q41 | L36-S38 PolarHBondContact O-N 2.92Å; L36-S38 VanDerWaalsContact O-N 3.17Å; S38-Q41 PolarHBondContact O-NE2 2.83Å |
| 39 | D | 95.8 | Very high | 97 | Very high | 146 Ų | 146 | 43.7 Ų | 43.7 | 78% | 0.781 | 23% | 0.228 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -84.3 | -43.8 | -173.7 | -59.6 | -22.2 | 0 | 0 | 0 | 111.2 | N37 | N37-D39 PolarHBondContact O-N 2.94Å; N37-D39 WeakPolarHBondContact OD1-CB 3.33Å; N37-D39 PolarHBondContact OD1-N 2.99Å |
| 40 | T | 95.6 | Very high | 96.9 | Very high | 85 Ų | 85 | 43.8 Ų | 43.8 | 52% | 0.521 | 23% | 0.228 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -94.4 | -14.5 | -177.8 | 65 | 0 | 0 | 0 | 0 | 113.5 | N37 E42 | N37-T40 WeakPolarHBondContact CB-OG1 3.47Å; N37-T40 PolarHBondContact OD1-N 2.92Å; N37-T40 PolarHBondContact OD1-OG1 3.41Å; T40-E42 PolarHBondContact O-N 3.41Å; T40-E42 WeakPolarHBondContact OG1-CB 3.46Å; T40-E42 PolarHBondContact OG1-N 2.82Å |
| 41 | Q | 94.4 | Very high | 96.8 | Very high | 127 Ų | 127 | 44.1 Ų | 44.1 | 59% | 0.593 | 23% | 0.23 | S | C | * | . | trans | 60.6 | 14.1 | -167.8 | -57.9 | -66.8 | -60.8 | 0 | 0 | 113.6 | N37 S38 | N37-Q41 WeakPolarHBondContact O-CA 3.33Å; N37-Q41 PolarHBondContact O-N 3.15Å; S38-Q41 PolarHBondContact O-NE2 2.83Å | ||
| 42 | E | 95.2 | Very high | 96.5 | Very high | 115 Ų | 115 | 48.4 Ų | 48.4 | 54% | 0.537 | 25% | 0.246 | S | C | . | . | trans | -76.1 | 138.7 | 176.3 | -169.2 | 173.8 | -164.8 | 0 | 0 | 110.6 | N37 T40 L44 | N37-E42 HydrophobicContact CB-CB 4.5Å; N37-E42 WeakPolarHBondContact CB-O 3.44Å; N37-E42 PolarHBondContact N-O 2.67Å; T40-E42 PolarHBondContact O-N 3.41Å; T40-E42 WeakPolarHBondContact OG1-CB 3.46Å; T40-E42 PolarHBondContact OG1-N 2.82Å; E42-L44 HydrophobicContact CB-CD2 4.45Å; E42-L44 HydrophobicContact CG-CD2 3.87Å; E42-L44 HydrophobicContact CG-CG 4.49Å; E42-L44 PolarHBondContact O-N 2.79Å | ||
| 43 | R | 96.5 | Very high | 96 | Very high | 80 Ų | 80 | 50.9 Ų | 50.9 | 30% | 0.302 | 26% | 0.262 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.2 | 88.9 | 177.4 | -63.6 | 177.7 | -173.1 | -88.5 | -1.2 | 109 | Y34 E35 L36 S68 G69 A86 | Y34-R43 HydrophobicContact CE2-CB 4.04Å; Y34-R43 HydrophobicContact CE2-CG 4.07Å; Y34-R43 PolarHBondContact OH-NH1 2.72Å; E35-R43 CarbonylContact O-C 3.53Å; E35-R43 WeakPolarHBondContact O-CA 3.5Å; L36-R43 HydrophobicContact CD1-CG 3.94Å; R43-S68 VanDerWaalsContact O-CA 3.28Å; R43-S68 WeakPolarHBondContact O-CA 3.46Å; R43-S68 PolarHBondContact O-OG 3.12Å; R43-G69 PolarHBondContact O-N 2.78Å; R43-A86 HydrophobicContact CB-CB 3.89Å; R43-A86 WeakPolarHBondContact CD-O 3.45Å; R43-A86 HydrophobicContact CG-CB 4.37Å |
| 44 | L | 97.4 | Very high | 94.9 | Very high | 36 Ų | 36 | 56.1 Ų | 56.1 | 19% | 0.188 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.5 | 157.9 | -179.7 | -58.6 | 176.1 | 0 | 0 | 0 | 110.8 | Y15 Y34 E35 N37 E42 G69 | Y15-L44 HydrophobicContact CE2-CB 4.25Å; Y34-L44 CarbonylContact C-O 3.25Å; Y34-L44 WeakPolarHBondContact CA-O 3.27Å; E35-L44 PolarHBondContact N-O 3.39Å; E35-L44 PolarHBondContact O-N 2.74Å; N37-L44 HydrophobicContact CB-CD1 4.11Å; N37-L44 HydrophobicContact CB-CG 4.46Å; E42-L44 HydrophobicContact CB-CD2 4.45Å; E42-L44 HydrophobicContact CG-CD2 3.87Å; E42-L44 HydrophobicContact CG-CG 4.49Å; E42-L44 PolarHBondContact O-N 2.79Å; L44-G69 WeakPolarHBondContact O-CA 3.5Å; L44-G69 PolarHBondContact O-N 3.49Å |
| 45 | G | 97.2 | Very high | 93.4 | Very high | 3 Ų | 3 | 59.4 Ų | 59.4 | 3% | 0.031 | 32% | 0.322 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 171.8 | -158.5 | 174.1 | 0 | 0 | 0 | 0 | 0 | 113.6 | S33 C67 | S33-G45 WeakPolarHBondContact O-CA 3.48Å; G45-C67 CarbonylContact C-O 3.59Å; G45-C67 VanDerWaalsContact C-O 3.25Å; G45-C67 PolarHBondContact N-O 3.28Å; G45-C67 PolarHBondContact O-N 3.43Å; G45-C67 VanDerWaalsContact O-N 3.11Å |
| 46 | G | 97.4 | Very high | 92 | Very high | 6 Ų | 6 | 60.8 Ų | 60.8 | 6% | 0.062 | 33% | 0.331 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 178.2 | 176.8 | -179.4 | 0 | 0 | 0 | 0 | 0 | 112.8 | S33 I65 | S33-G46 PolarHBondContact N-O 2.98Å; S33-G46 PolarHBondContact O-N 2.88Å; S33-G46 PolarHBondContact OG-N 2.83Å; S33-G46 PolarHBondContact OG-O 3.46Å; G46-I65 CarbonylContact C-O 3.54Å; G46-I65 WeakPolarHBondContact CA-O 3.21Å |
| 47 | L | 98.4 | Very high | 91.2 | Very high | 1 Ų | 1 | 61.1 Ų | 61.1 | 1% | 0.005 | 33% | 0.328 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.4 | 126.7 | 173.1 | -168.5 | 74.2 | 0 | 0 | 0 | 108.8 | L30 N64 I65 V70 I73 W93 I102 | L30-L47 HydrophobicContact CB-CD1 4.15Å; L30-L47 HydrophobicContact CD1-CD1 4.46Å; L30-L47 HydrophobicContact CD1-CD2 4.17Å; L30-L47 HydrophobicContact CD2-CD1 4.38Å; L30-L47 HydrophobicContact CD2-CD2 3.9Å; L30-L47 HydrophobicContact CD2-CG 3.98Å; L47-N64 VanDerWaalsContact O-CA 3.25Å; L47-N64 WeakPolarHBondContact O-CA 3.5Å; L47-I65 HydrophobicContact CB-CG2 3.89Å; L47-I65 PolarHBondContact N-O 2.97Å; L47-I65 PolarHBondContact O-N 3.39Å; L47-V70 HydrophobicContact CD1-CG1 4.45Å; L47-I73 HydrophobicContact CD1-CD1 3.37Å; L47-I73 HydrophobicContact CD1-CG1 4.02Å; L47-W93 HydrophobicContact CD1-CZ3 4.47Å; L47-W93 HydrophobicContact CD2-CB 4.35Å; L47-W93 HydrophobicContact CD2-CD2 3.65Å; L47-W93 HydrophobicContact CD2-CE3 3.61Å; L47-W93 HydrophobicContact CD2-CG 3.99Å; L47-W93 HydrophobicContact CD2-CH2 4.45Å; L47-W93 HydrophobicContact CD2-CZ3 4.01Å; L47-I102 HydrophobicContact CB-CD1 4.37Å; L47-I102 HydrophobicContact CD2-CD1 4.29Å; L47-I102 HydrophobicContact CD2-CG2 4.05Å; L47-I102 HydrophobicContact CG-CD1 4.33Å; L47-I102 WeakPolarHBondContact O-CD1 3.28Å |
| 48 | L | 98.5 | Very high | 90.9 | Very high | 15 Ų | 15 | 62.9 Ų | 62.9 | 8% | 0.079 | 34% | 0.335 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107 | 125.5 | 179.5 | -61.8 | 149.3 | 0 | 0 | 0 | 108.6 | Y11 A13 L30 C31 F50 L61 N64 I342 | Y11-L48 HydrophobicContact CE1-CD2 4.36Å; A13-L48 HydrophobicContact CB-CD1 4.07Å; L30-L48 CarbonylContact C-O 3.58Å; L30-L48 WeakPolarHBondContact CA-O 3.18Å; C31-L48 HydrophobicContact CB-CB 4.14Å; C31-L48 HydrophobicContact CB-CD1 4.13Å; C31-L48 PolarHBondContact N-O 2.88Å; C31-L48 PolarHBondContact O-N 3.08Å; L48-F50 HydrophobicContact CB-CD2 4.47Å; L48-F50 HydrophobicContact CB-CE2 3.78Å; L48-L61 HydrophobicContact CB-CD1 3.89Å; L48-L61 HydrophobicContact CD2-CD1 3.73Å; L48-L61 HydrophobicContact CD2-CD2 4.35Å; L48-L61 HydrophobicContact CG-CD1 4.45Å; L48-N64 HydrophobicContact CD2-CB 4.03Å; L48-I342 HydrophobicContact CD1-CD1 3.91Å |
| 49 | L | 98.2 | Very high | 90.9 | Very high | 0 Ų | 0 | 59 Ų | 59 | 0% | 0 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.4 | 123.1 | 176.6 | 173.3 | 65.7 | 0 | 0 | 0 | 110.6 | M28 L30 S62 S63 C95 P100 I102 | M28-L49 HydrophobicContact CB-CD1 3.9Å; M28-L49 HydrophobicContact CG-CD1 4.03Å; M28-L49 HydrophobicContact SD-CD1 3.87Å; L30-L49 HydrophobicContact CD2-CB 4.04Å; L30-L49 HydrophobicContact CD2-CD1 3.77Å; L49-S62 PolarHBondContact O-N 3.23Å; L49-S63 PolarHBondContact N-O 3.01Å; L49-S63 PolarHBondContact O-N 3.13Å; L49-C95 HydrophobicContact CD1-CB 4.37Å; L49-P100 HydrophobicContact CD2-CB 4.37Å; L49-I102 HydrophobicContact CB-CD1 3.66Å; L49-I102 HydrophobicContact CB-CG1 3.71Å; L49-I102 HydrophobicContact CD2-CG1 4.06Å |
| 50 | F | 97.3 | Very high | 90.9 | Very high | 4 Ų | 4 | 55.2 Ų | 55.2 | 2% | 0.018 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109 | 128.3 | 173.4 | -66.5 | -95.2 | 0 | 0 | 0 | 110.1 | Y11 M28 A29 C31 L48 Y59 V60 L61 I342 F344 | Y11-F50 HydrophobicContact CD1-CE1 4.34Å; Y11-F50 AromaticContact CD1-CZ 3.85Å; Y11-F50 HydrophobicContact CD1-CZ 3.85Å; Y11-F50 HydrophobicContact CG-CE1 4.11Å; Y11-F50 HydrophobicContact CG-CZ 4.09Å; M28-F50 CarbonylContact C-O 3.54Å; M28-F50 VanDerWaalsContact CA-O 3.23Å; M28-F50 WeakPolarHBondContact CA-O 3.29Å; A29-F50 HydrophobicContact CB-CB 4.35Å; A29-F50 PolarHBondContact N-O 3.31Å; A29-F50 PolarHBondContact O-N 2.77Å; C31-F50 HydrophobicContact CB-CE2 4.12Å; L48-F50 HydrophobicContact CB-CD2 4.47Å; L48-F50 HydrophobicContact CB-CE2 3.78Å; F50-Y59 HydrophobicContact CB-CD1 4.35Å; F50-V60 VanDerWaalsContact CA-O 3.29Å; F50-V60 WeakPolarHBondContact CA-O 3.36Å; F50-L61 HydrophobicContact CD1-CB 4.22Å; F50-L61 HydrophobicContact CE1-CB 3.85Å; F50-L61 HydrophobicContact CE1-CD1 4.26Å; F50-L61 HydrophobicContact CE2-CD1 4.15Å; F50-L61 HydrophobicContact CZ-CB 4.35Å; F50-L61 HydrophobicContact CZ-CD1 3.98Å; F50-I342 HydrophobicContact CE2-CD1 4.17Å; F50-I342 HydrophobicContact CE2-CG2 4.16Å; F50-I342 HydrophobicContact CZ-CB 4.31Å; F50-I342 HydrophobicContact CZ-CD1 3.96Å; F50-I342 HydrophobicContact CZ-CG2 4.06Å; F50-F344 HydrophobicContact CB-CE2 4.26Å; F50-F344 HydrophobicContact CB-CZ 3.7Å; F50-F344 AromaticContact CD1-CE2 3.6Å; F50-F344 HydrophobicContact CD1-CE2 3.6Å; F50-F344 AromaticContact CD1-CZ 3.92Å; F50-F344 HydrophobicContact CD1-CZ 3.92Å; F50-F344 HydrophobicContact CD2-CE2 4.44Å; F50-F344 HydrophobicContact CD2-CZ 4.19Å; F50-F344 HydrophobicContact CE1-CE2 4.02Å; F50-F344 AromaticContact CG-CE2 3.85Å; F50-F344 HydrophobicContact CG-CE2 3.85Å; F50-F344 AromaticContact CG-CZ 3.67Å; F50-F344 HydrophobicContact CG-CZ 3.67Å |
| 51 | S | 95.1 | Very high | 90.9 | Very high | 7 Ų | 7 | 53.8 Ų | 53.8 | 5% | 0.049 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108 | 145.3 | 175.6 | -73.4 | 0 | 0 | 0 | 0 | 111 | Y59 V60 S62 D97 | S51-Y59 WeakPolarHBondContact O-CA 3.29Å; S51-V60 PolarHBondContact N-O 3.42Å; S51-V60 PolarHBondContact O-N 3.29Å; S51-V60 VanDerWaalsContact O-N 3.1Å; S51-S62 WeakPolarHBondContact CB-OG 3.37Å; S51-D97 VanDerWaalsContact CB-OD1 3.23Å; S51-D97 WeakPolarHBondContact CB-OD1 3.08Å; S51-D97 PolarHBondContact OG-OD1 2.69Å |
| 52 | R | 92.5 | Very high | 91 | Very high | 90 Ų | 90 | 49.6 Ų | 49.6 | 34% | 0.34 | 26% | 0.263 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.4 | 122.6 | 177.5 | -171.8 | 175 | 65.4 | -162.2 | -3.1 | 110.9 | G26 S27 Q58 Y59 | G26-R52 WeakPolarHBondContact O-CD 3.41Å; G26-R52 VanDerWaalsContact O-CZ 3.22Å; G26-R52 PolarHBondContact O-NE 2.87Å; G26-R52 PolarHBondContact O-NH1 2.65Å; S27-R52 VanDerWaalsContact O-CB 3.27Å; S27-R52 WeakPolarHBondContact O-CB 3.32Å; S27-R52 PolarHBondContact O-N 3.22Å; R52-Q58 CarbonylContact C-O 3.53Å; R52-Q58 WeakPolarHBondContact CA-O 3.47Å; R52-Y59 HydrophobicContact CB-CD1 4.13Å; R52-Y59 HydrophobicContact CB-CE1 3.67Å; R52-Y59 HydrophobicContact CB-CE2 4.29Å; R52-Y59 HydrophobicContact CG-CE1 4.34Å; R52-Y59 HydrophobicContact CG-CE2 4.07Å |
| 53 | V | 88.1 | Confident | 91.1 | Very high | 53 Ų | 53 | 45.5 Ų | 45.5 | 32% | 0.321 | 25% | 0.247 | S | C | . | . | trans | -79.1 | 133.4 | 172.2 | -171.6 | 0 | 0 | 0 | 0 | 109.8 | T55 Q58 V60 | V53-T55 VanDerWaalsContact C-N 3.27Å; V53-T55 PolarHBondContact O-N 3.35Å; V53-T55 VanDerWaalsContact O-N 3.13Å; V53-Q58 PolarHBondContact N-O 3.47Å; V53-V60 HydrophobicContact CG2-CB 4.39Å; V53-V60 HydrophobicContact CG2-CG1 3.76Å; V53-V60 HydrophobicContact CG2-CG2 3.77Å | ||
| 54 | S | 75.5 | Confident | 91.1 | Very high | 115 Ų | 115 | 46.3 Ų | 46.3 | 80% | 0.804 | 26% | 0.257 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.7 | -23.3 | -166.8 | 59.2 | 0 | 0 | 0 | 0 | 116.1 | ||
| 55 | T | 66.2 | Low | 91.1 | Very high | 101 Ų | 101 | 46.5 Ų | 46.5 | 62% | 0.62 | 26% | 0.258 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87.9 | -27.8 | -169.7 | 53 | 0 | 0 | 0 | 0 | 114.6 | V53 | V53-T55 VanDerWaalsContact C-N 3.27Å; V53-T55 PolarHBondContact O-N 3.35Å; V53-T55 VanDerWaalsContact O-N 3.13Å |
| 56 | D | 67.9 | Low | 91.1 | Very high | 93 Ų | 93 | 51.1 Ų | 51.1 | 50% | 0.497 | 29% | 0.29 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -147.1 | 18 | -166.2 | -68.4 | -66.3 | 0 | 0 | 0 | 115.9 | Q8 Q58 | Q8-D56 PolarHBondContact NE2-O 2.84Å; Q8-D56 VanDerWaalsContact NE2-O 3.15Å; D56-Q58 HydrophobicContact CB-CG 4.01Å; D56-Q58 PolarHBondContact O-N 3.21Å |
| 57 | Y | 78.6 | Confident | 91.1 | Very high | 75 Ų | 75 | 52 Ų | 52 | 29% | 0.294 | 30% | 0.295 | S | S | . | . | S | Bend | trans | 54 | 21.2 | -172.9 | -59.9 | -94.9 | 0 | 0 | 0 | 113.2 | Q8 Y59 N317 | Q8-Y57 PolarHBondContact OE1-O 2.5Å; Y57-Y59 VanDerWaalsContact O-CD2 3.26Å; Y57-Y59 WeakPolarHBondContact O-CD2 3.49Å; Y57-Y59 WeakPolarHBondContact O-CE2 3.36Å; Y57-N317 PolarHBondContact OH-ND2 2.95Å |
| 58 | Q | 88.6 | Confident | 91.1 | Very high | 82 Ų | 82 | 53 Ų | 53 | 38% | 0.383 | 30% | 0.302 | S | S | . | . | trans | -75.7 | 142.8 | 172.7 | -72.1 | -175.3 | -18.6 | 0 | 0 | 109.1 | Q8 R52 V53 D56 | Q8-Q58 HydrophobicContact CB-CG 4.49Å; R52-Q58 CarbonylContact C-O 3.53Å; R52-Q58 WeakPolarHBondContact CA-O 3.47Å; V53-Q58 PolarHBondContact N-O 3.47Å; D56-Q58 HydrophobicContact CB-CG 4.01Å; D56-Q58 PolarHBondContact O-N 3.21Å | ||
| 59 | Y | 94.7 | Very high | 91.1 | Very high | 4 Ų | 4 | 52.3 Ų | 52.3 | 2% | 0.016 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112 | 138.6 | 175.5 | -72.4 | -103.4 | 0 | 0 | 0 | 109.6 | S9 F22 G26 F50 S51 R52 Y57 T331 F344 | S9-Y59 PolarHBondContact OG-O 3.14Å; F22-Y59 HydrophobicContact CD1-CE1 4.2Å; F22-Y59 HydrophobicContact CE1-CD1 4.39Å; F22-Y59 AromaticContact CE1-CE1 3.68Å; F22-Y59 HydrophobicContact CE1-CE1 3.68Å; F22-Y59 AromaticContact CE1-CE2 3.98Å; F22-Y59 HydrophobicContact CE1-CE2 3.98Å; F22-Y59 AromaticContact CE1-CZ 3.42Å; F22-Y59 VanDerWaalsContact CE1-CZ 3.42Å; F22-Y59 WeakPolarHBondContact CE1-OH 3.26Å; F22-Y59 HydrophobicContact CZ-CE2 4.46Å; G26-Y59 PolarHBondContact O-OH 3.35Å; F50-Y59 HydrophobicContact CB-CD1 4.35Å; S51-Y59 WeakPolarHBondContact O-CA 3.29Å; R52-Y59 HydrophobicContact CB-CD1 4.13Å; R52-Y59 HydrophobicContact CB-CE1 3.67Å; R52-Y59 HydrophobicContact CB-CE2 4.29Å; R52-Y59 HydrophobicContact CG-CE1 4.34Å; R52-Y59 HydrophobicContact CG-CE2 4.07Å; Y57-Y59 VanDerWaalsContact O-CD2 3.26Å; Y57-Y59 WeakPolarHBondContact O-CD2 3.49Å; Y57-Y59 WeakPolarHBondContact O-CE2 3.36Å; Y59-T331 HydrophobicContact CD2-CG2 4.26Å; Y59-T331 HydrophobicContact CE2-CG2 3.61Å; Y59-F344 VanDerWaalsContact CB-CE1 3.5Å; Y59-F344 HydrophobicContact CD1-CD1 4.25Å; Y59-F344 AromaticContact CD1-CE1 3.75Å; Y59-F344 HydrophobicContact CD1-CE1 3.75Å; Y59-F344 HydrophobicContact CD1-CZ 4.28Å; Y59-F344 HydrophobicContact CD2-CB 4.48Å; Y59-F344 AromaticContact CD2-CD1 3.42Å; Y59-F344 HydrophobicContact CD2-CD1 3.42Å; Y59-F344 VanDerWaalsContact CD2-CD1 3.42Å; Y59-F344 AromaticContact CD2-CE1 3.8Å; Y59-F344 HydrophobicContact CD2-CE1 3.8Å; Y59-F344 HydrophobicContact CD2-CG 4.06Å; Y59-F344 HydrophobicContact CE1-CE1 4.39Å; Y59-F344 HydrophobicContact CE2-CD1 4.14Å; Y59-F344 HydrophobicContact CE2-CE1 4.46Å; Y59-F344 AromaticContact CG-CD1 3.49Å; Y59-F344 HydrophobicContact CG-CD1 3.49Å; Y59-F344 VanDerWaalsContact CG-CD1 3.49Å; Y59-F344 AromaticContact CG-CE1 3.39Å; Y59-F344 HydrophobicContact CG-CE1 3.39Å; Y59-F344 HydrophobicContact CG-CG 4.12Å; Y59-F344 AromaticContact CG-CZ 3.97Å; Y59-F344 HydrophobicContact CG-CZ 3.97Å |
| 60 | V | 94.6 | Very high | 91.1 | Very high | 68 Ų | 68 | 52.3 Ų | 52.3 | 41% | 0.412 | 30% | 0.298 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.8 | 140.3 | 180 | -61.7 | 0 | 0 | 0 | 0 | 109.9 | F50 S51 V53 S62 | F50-V60 VanDerWaalsContact CA-O 3.29Å; F50-V60 WeakPolarHBondContact CA-O 3.36Å; S51-V60 PolarHBondContact N-O 3.42Å; S51-V60 PolarHBondContact O-N 3.29Å; S51-V60 VanDerWaalsContact O-N 3.1Å; V53-V60 HydrophobicContact CG2-CB 4.39Å; V53-V60 HydrophobicContact CG2-CG1 3.76Å; V53-V60 HydrophobicContact CG2-CG2 3.77Å; V60-S62 PolarHBondContact O-N 3.24Å; V60-S62 VanDerWaalsContact O-N 3.14Å; V60-S62 PolarHBondContact O-OG 2.95Å |
| 61 | L | 96.8 | Very high | 91.2 | Very high | 54 Ų | 54 | 52.7 Ų | 52.7 | 28% | 0.283 | 30% | 0.3 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -60.9 | 119.5 | 172 | -179.1 | 72.2 | 0 | 0 | 0 | 108.5 | Y11 L48 F50 | Y11-L61 HydrophobicContact CD2-CB 4.43Å; Y11-L61 HydrophobicContact CE1-CD2 4.18Å; Y11-L61 HydrophobicContact CE2-CB 4.33Å; Y11-L61 HydrophobicContact CE2-CD2 3.72Å; Y11-L61 WeakPolarHBondContact OH-CD2 3.37Å; L48-L61 HydrophobicContact CB-CD1 3.89Å; L48-L61 HydrophobicContact CD2-CD1 3.73Å; L48-L61 HydrophobicContact CD2-CD2 4.35Å; L48-L61 HydrophobicContact CG-CD1 4.45Å; F50-L61 HydrophobicContact CD1-CB 4.22Å; F50-L61 HydrophobicContact CE1-CB 3.85Å; F50-L61 HydrophobicContact CE1-CD1 4.26Å; F50-L61 HydrophobicContact CE2-CD1 4.15Å; F50-L61 HydrophobicContact CZ-CB 4.35Å; F50-L61 HydrophobicContact CZ-CD1 3.98Å |
| 62 | S | 95.8 | Very high | 91.3 | Very high | 40 Ų | 40 | 53.3 Ų | 53.3 | 28% | 0.28 | 30% | 0.303 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.9 | -25 | -170.6 | -57.4 | 0 | 0 | 0 | 0 | 112.7 | L49 S51 V60 | L49-S62 PolarHBondContact O-N 3.23Å; S51-S62 WeakPolarHBondContact CB-OG 3.37Å; V60-S62 PolarHBondContact O-N 3.24Å; V60-S62 VanDerWaalsContact O-N 3.14Å; V60-S62 PolarHBondContact O-OG 2.95Å |
| 63 | S | 97.3 | Very high | 91.6 | Very high | 29 Ų | 29 | 49.3 Ų | 49.3 | 20% | 0.203 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -156.5 | 161.6 | 171.4 | -166 | 0 | 0 | 0 | 0 | 110.4 | L49 | L49-S63 PolarHBondContact N-O 3.01Å; L49-S63 PolarHBondContact O-N 3.13Å |
| 64 | N | 97.3 | Very high | 92.1 | Very high | 96 Ų | 96 | 47 Ų | 47 | 51% | 0.513 | 28% | 0.275 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.5 | 157.8 | 170.4 | 66.3 | 73.6 | 0 | 0 | 0 | 110.3 | L47 L48 | L47-N64 VanDerWaalsContact O-CA 3.25Å; L47-N64 WeakPolarHBondContact O-CA 3.5Å; L48-N64 HydrophobicContact CD2-CB 4.03Å |
| 65 | I | 97.7 | Very high | 93 | Very high | 41 Ų | 41 | 42.6 Ų | 42.6 | 21% | 0.21 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.2 | 135.1 | 172.5 | -169.1 | 169.7 | 0 | 0 | 0 | 109.4 | G46 L47 I102 E104 | G46-I65 CarbonylContact C-O 3.54Å; G46-I65 WeakPolarHBondContact CA-O 3.21Å; L47-I65 HydrophobicContact CB-CG2 3.89Å; L47-I65 PolarHBondContact N-O 2.97Å; L47-I65 PolarHBondContact O-N 3.39Å; I65-I102 HydrophobicContact CB-CB 4.49Å; I65-I102 HydrophobicContact CB-CG2 4.41Å; I65-I102 HydrophobicContact CG2-CB 4.21Å; I65-I102 HydrophobicContact CG2-CD1 4.11Å; I65-I102 HydrophobicContact CG2-CG2 3.68Å; I65-E104 HydrophobicContact CD1-CB 4.4Å |
| 66 | S | 97.3 | Very high | 94.4 | Very high | 99 Ų | 99 | 39.1 Ų | 39.1 | 69% | 0.692 | 22% | 0.218 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -83.1 | 139.3 | 175.7 | -53.5 | 0 | 0 | 0 | 0 | 111 | ||
| 67 | C | 97.3 | Very high | 95.5 | Very high | 25 Ų | 25 | 37.6 Ų | 37.6 | 17% | 0.169 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -158.8 | -169 | 174.9 | 57.5 | 0 | 0 | 0 | 0 | 109.6 | G45 L85 K91 | G45-C67 CarbonylContact C-O 3.59Å; G45-C67 VanDerWaalsContact C-O 3.25Å; G45-C67 PolarHBondContact N-O 3.28Å; G45-C67 PolarHBondContact O-N 3.43Å; G45-C67 VanDerWaalsContact O-N 3.11Å; C67-L85 HydrophobicContact CB-CD2 4.36Å; C67-K91 HydrophobicContact CB-CD 4.21Å |
| 68 | S | 97.7 | Very high | 96.1 | Very high | 22 Ų | 22 | 35.7 Ų | 35.7 | 15% | 0.154 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -67.1 | 153.3 | 167.7 | -170.3 | 0 | 0 | 0 | 0 | 110.1 | R43 V70 N87 | R43-S68 VanDerWaalsContact O-CA 3.28Å; R43-S68 WeakPolarHBondContact O-CA 3.46Å; R43-S68 PolarHBondContact O-OG 3.12Å; S68-V70 PolarHBondContact O-N 2.95Å; S68-N87 PolarHBondContact OG-N 2.99Å |
| 69 | G | 98.3 | Very high | 96.3 | Very high | 0 Ų | 0 | 35 Ų | 35 | 0% | 0 | 21% | 0.212 | C | C | . | . | trans | -44.3 | 128.2 | -178 | 0 | 0 | 0 | 0 | 0 | 114.3 | S33 R43 L44 L85 A86 | S33-G69 CarbonylContact O-C 3.58Å; S33-G69 VanDerWaalsContact O-CA 3.32Å; S33-G69 WeakPolarHBondContact O-CA 3.12Å; R43-G69 PolarHBondContact O-N 2.78Å; L44-G69 WeakPolarHBondContact O-CA 3.5Å; L44-G69 PolarHBondContact O-N 3.49Å; G69-L85 CarbonylContact O-C 3.59Å; G69-L85 VanDerWaalsContact O-CA 3.26Å; G69-L85 WeakPolarHBondContact O-CA 3.46Å; G69-A86 WeakPolarHBondContact O-CB 3.45Å; G69-A86 PolarHBondContact O-N 3.43Å | ||
| 70 | V | 98.6 | Very high | 96.4 | Very high | 0 Ų | 0 | 35.1 Ų | 35.1 | 0% | 0 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101 | 109.1 | -177.4 | -177.1 | 0 | 0 | 0 | 0 | 108.5 | G32 S33 L47 S68 I73 L85 W93 | G32-V70 CarbonylContact C-O 3.56Å; S33-V70 PolarHBondContact O-N 2.62Å; L47-V70 HydrophobicContact CD1-CG1 4.45Å; S68-V70 PolarHBondContact O-N 2.95Å; V70-I73 HydrophobicContact CG1-CD1 4.1Å; V70-I73 HydrophobicContact CG1-CG1 3.66Å; V70-L85 HydrophobicContact CG2-CG 4.36Å; V70-W93 HydrophobicContact CG2-CH2 4.21Å |
| 71 | L | 98.5 | Very high | 96.5 | Very high | 13 Ų | 13 | 31.9 Ų | 31.9 | 7% | 0.068 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.7 | -23.9 | -172.9 | -60.1 | -178.9 | 0 | 0 | 0 | 113 | D18 Y34 A84 A86 I114 L115 L116 | D18-L71 HydrophobicContact CB-CD2 4.29Å; D18-L71 WeakPolarHBondContact OD2-CD2 3.36Å; Y34-L71 HydrophobicContact CD2-CD2 3.71Å; Y34-L71 HydrophobicContact CE2-CD2 4.43Å; Y34-L71 HydrophobicContact CG-CD2 3.78Å; L71-A84 PolarHBondContact N-O 3Å; L71-A86 HydrophobicContact CD1-CB 4.04Å; L71-A86 HydrophobicContact CG-CB 4.29Å; L71-I114 HydrophobicContact CD1-CG2 3.31Å; L71-L115 WeakPolarHBondContact CD1-O 3.48Å; L71-L116 HydrophobicContact CD1-CD2 4.31Å |
| 72 | D | 98.7 | Very high | 96.5 | Very high | 19 Ų | 19 | 29.3 Ų | 29.3 | 10% | 0.102 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -151.7 | 153.6 | 173 | -152.1 | 26.8 | 0 | 0 | 0 | 111.3 | T19 G83 A84 S117 V118 R258 | T19-D72 PolarHBondContact OG1-OD1 2.86Å; D72-G83 CarbonylContact O-C 3.59Å; D72-G83 WeakPolarHBondContact O-CA 3.2Å; D72-A84 HydrophobicContact CB-CB 4.01Å; D72-A84 PolarHBondContact O-N 2.82Å; D72-S117 VanDerWaalsContact OD2-CA 3.24Å; D72-S117 WeakPolarHBondContact OD2-CA 3.26Å; D72-S117 WeakPolarHBondContact OD2-CB 3.48Å; D72-V118 HydrophobicContact CB-CG1 4.24Å; D72-V118 PolarHBondContact OD2-N 2.93Å; D72-R258 IonicContact OD1-NE 2.92Å; D72-R258 IonicContact OD1-NH2 3.51Å; D72-R258 PolarHBondContact OD1-NH2 2.77Å |
| 73 | I | 98.4 | Very high | 96.7 | Very high | 6 Ų | 6 | 27.4 Ų | 27.4 | 3% | 0.031 | 17% | 0.167 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.7 | 145.1 | -177.7 | -61.7 | 159.7 | 0 | 0 | 0 | 107.9 | T19 E21 L30 L47 V70 A81 I82 | T19-I73 HydrophobicContact CG2-CB 4.41Å; T19-I73 HydrophobicContact CG2-CD1 3.67Å; T19-I73 HydrophobicContact CG2-CG1 3.79Å; E21-I73 VanDerWaalsContact OE2-O 3.11Å; L30-I73 HydrophobicContact CB-CD1 4.02Å; L30-I73 HydrophobicContact CB-CG2 4.45Å; L30-I73 HydrophobicContact CD1-CG2 4.08Å; L47-I73 HydrophobicContact CD1-CD1 3.37Å; L47-I73 HydrophobicContact CD1-CG1 4.02Å; V70-I73 HydrophobicContact CG1-CD1 4.1Å; V70-I73 HydrophobicContact CG1-CG1 3.66Å; I73-A81 HydrophobicContact CG2-CB 4.3Å; I73-I82 WeakPolarHBondContact CA-O 3.39Å |
| 74 | S | 97.7 | Very high | 96.7 | Very high | 6 Ų | 6 | 26 Ų | 26 | 4% | 0.042 | 16% | 0.157 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140 | 139.1 | 168.8 | -169.2 | 0 | 0 | 0 | 0 | 109.7 | E21 A81 I82 T120 | E21-S74 WeakPolarHBondContact OE2-CA 3.47Å; S74-A81 WeakPolarHBondContact O-CA 3.44Å; S74-I82 PolarHBondContact N-O 3.13Å; S74-I82 VanDerWaalsContact O-CG2 3.29Å; S74-I82 WeakPolarHBondContact O-CG2 3.29Å; S74-I82 PolarHBondContact O-N 2.84Å; S74-T120 WeakPolarHBondContact OG-CG2 3.47Å; S74-T120 PolarHBondContact OG-N 3.46Å; S74-T120 VanDerWaalsContact OG-N 3.13Å; S74-T120 PolarHBondContact OG-OG1 2.96Å |
| 75 | W | 96.1 | Very high | 96.8 | Very high | 22 Ų | 22 | 21.5 Ų | 21.5 | 8% | 0.083 | 13% | 0.133 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -80.2 | 126.9 | 171.9 | -68 | 87.9 | 0 | 0 | 0 | 110.9 | E21 F22 C23 M28 L30 A81 C95 T120 | E21-W75 VanDerWaalsContact OE2-CD1 3.31Å; E21-W75 PolarHBondContact OE2-N 2.79Å; F22-W75 PolarHBondContact O-NE1 3.34Å; C23-W75 HydrophobicContact CB-CD2 4.19Å; C23-W75 HydrophobicContact CB-CE3 4.36Å; C23-W75 HydrophobicContact CB-CH2 3.85Å; C23-W75 HydrophobicContact CB-CZ2 3.62Å; C23-W75 HydrophobicContact CB-CZ3 4.22Å; M28-W75 HydrophobicContact CB-CH2 4.34Å; M28-W75 HydrophobicContact CE-CH2 4.09Å; M28-W75 HydrophobicContact CE-CZ3 4.31Å; L30-W75 HydrophobicContact CB-CZ2 4.41Å; L30-W75 HydrophobicContact CD1-CH2 3.72Å; L30-W75 HydrophobicContact CD1-CZ2 3.46Å; L30-W75 VanDerWaalsContact CD1-CZ2 3.46Å; L30-W75 HydrophobicContact CD1-CZ3 4.36Å; L30-W75 HydrophobicContact CG-CH2 3.94Å; L30-W75 HydrophobicContact CG-CZ2 3.52Å; W75-A81 HydrophobicContact CD2-CB 4.2Å; W75-A81 HydrophobicContact CE3-CB 4.02Å; W75-A81 HydrophobicContact CZ3-CB 4.3Å; W75-C95 HydrophobicContact CH2-CB 3.99Å; W75-C95 HydrophobicContact CZ3-CB 4.07Å; W75-T120 PolarHBondContact O-OG1 2.87Å |
| 76 | L | 93.6 | Very high | 96.8 | Very high | 28 Ų | 28 | 19.7 Ų | 19.7 | 15% | 0.147 | 12% | 0.124 | C | C | . | . | S | Bend | trans | -73.2 | -38.4 | 168.3 | -93.7 | 123.3 | 0 | 0 | 0 | 111 | V80 I82 L92 T120 I139 | L76-V80 HydrophobicContact CB-CB 4.34Å; L76-V80 HydrophobicContact CB-CG1 4.37Å; L76-V80 HydrophobicContact CD1-CG1 4.12Å; L76-V80 PolarHBondContact N-O 2.82Å; L76-I82 HydrophobicContact CD1-CB 3.87Å; L76-I82 HydrophobicContact CD1-CG2 4.09Å; L76-L92 HydrophobicContact CD1-CD2 3.66Å; L76-L92 HydrophobicContact CD1-CG 4.07Å; L76-T120 HydrophobicContact CD1-CG2 4.44Å; L76-T120 HydrophobicContact CG-CG2 3.92Å; L76-I139 HydrophobicContact CD2-CG2 3.83Å |
| 77 | N | 91.6 | Very high | 96.8 | Very high | 60 Ų | 60 | 19 Ų | 19 | 32% | 0.321 | 11% | 0.113 | S | C | . | . | S | Bend | trans | -158.5 | -166.6 | 179.9 | 58.6 | 40.7 | 0 | 0 | 0 | 109.2 | N79 V80 | N77-N79 PolarHBondContact O-N 3.47Å; N77-N79 VanDerWaalsContact O-N 3.08Å; N77-N79 PolarHBondContact OD1-N 3.13Å; N77-N79 PolarHBondContact OD1-OD1 2.82Å; N77-V80 PolarHBondContact N-O 2.93Å; N77-V80 WeakPolarHBondContact OD1-CB 3.17Å; N77-V80 PolarHBondContact OD1-N 2.79Å |
| 78 | G | 91.1 | Very high | 96.9 | Very high | 36 Ų | 36 | 17.9 Ų | 17.9 | 37% | 0.371 | 11% | 0.105 | S | C | . | . | S | Bend | trans | -67.3 | -5.5 | -175.2 | 0 | 0 | 0 | 0 | 0 | 116.4 | C23 | C23-G78 VanDerWaalsContact SG-C 3.59Å; C23-G78 PolarHBondContact SG-O 3.01Å |
| 79 | N | 94.2 | Very high | 96.9 | Very high | 68 Ų | 68 | 17.2 Ų | 17.2 | 36% | 0.364 | 10% | 0.101 | S | C | . | . | S | Bend | trans | -141.1 | -21.7 | -178.6 | 64.5 | -55.7 | 0 | 0 | 0 | 113.9 | N77 N94 C95 | N77-N79 PolarHBondContact O-N 3.47Å; N77-N79 VanDerWaalsContact O-N 3.08Å; N77-N79 PolarHBondContact OD1-N 3.13Å; N77-N79 PolarHBondContact OD1-OD1 2.82Å; N79-N94 PolarHBondContact ND2-OD1 3.15Å; N79-C95 WeakPolarHBondContact CB-O 3.48Å; N79-C95 PolarHBondContact O-N 2.78Å |
| 80 | V | 95.4 | Very high | 96.9 | Very high | 6 Ų | 6 | 17.2 Ų | 17.2 | 4% | 0.036 | 10% | 0.101 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.6 | 124.1 | -179.9 | -176 | 0 | 0 | 0 | 0 | 110.1 | L76 N77 L92 W93 L105 | L76-V80 HydrophobicContact CB-CB 4.34Å; L76-V80 HydrophobicContact CB-CG1 4.37Å; L76-V80 HydrophobicContact CD1-CG1 4.12Å; L76-V80 PolarHBondContact N-O 2.82Å; N77-V80 PolarHBondContact N-O 2.93Å; N77-V80 WeakPolarHBondContact OD1-CB 3.17Å; N77-V80 PolarHBondContact OD1-N 2.79Å; V80-L92 HydrophobicContact CG1-CB 4.37Å; V80-L92 HydrophobicContact CG1-CD2 4.11Å; V80-W93 CarbonylContact C-O 3.48Å; V80-W93 VanDerWaalsContact CA-O 3.27Å; V80-W93 WeakPolarHBondContact CA-O 3.49Å; V80-L105 HydrophobicContact CG1-CD1 4.05Å; V80-L105 HydrophobicContact CG2-CD1 4.21Å |
| 81 | A | 97 | Very high | 96.9 | Very high | 0 Ų | 0 | 18.2 Ų | 18.2 | 0% | 0 | 11% | 0.105 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114 | 153.1 | 174.3 | 0 | 0 | 0 | 0 | 0 | 111.1 | L30 I73 S74 W75 L92 W93 | L30-A81 HydrophobicContact CD1-CB 3.34Å; I73-A81 HydrophobicContact CG2-CB 4.3Å; S74-A81 WeakPolarHBondContact O-CA 3.44Å; W75-A81 HydrophobicContact CD2-CB 4.2Å; W75-A81 HydrophobicContact CE3-CB 4.02Å; W75-A81 HydrophobicContact CZ3-CB 4.3Å; A81-L92 CarbonylContact O-C 3.49Å; A81-L92 VanDerWaalsContact O-CA 3.28Å; A81-L92 WeakPolarHBondContact O-CA 3.37Å; A81-W93 PolarHBondContact N-O 2.9Å; A81-W93 PolarHBondContact O-N 3.42Å |
| 82 | I | 97.8 | Very high | 96.8 | Very high | 0 Ų | 0 | 17.6 Ų | 17.6 | 0% | 0 | 10% | 0.102 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.3 | 143.6 | 173.9 | -171 | 165.3 | 0 | 0 | 0 | 109.8 | I73 S74 L76 T90 K91 L92 V118 T120 F125 F127 | I73-I82 WeakPolarHBondContact CA-O 3.39Å; S74-I82 PolarHBondContact N-O 3.13Å; S74-I82 VanDerWaalsContact O-CG2 3.29Å; S74-I82 WeakPolarHBondContact O-CG2 3.29Å; S74-I82 PolarHBondContact O-N 2.84Å; L76-I82 HydrophobicContact CD1-CB 3.87Å; L76-I82 HydrophobicContact CD1-CG2 4.09Å; I82-T90 VanDerWaalsContact CG1-OG1 3.23Å; I82-T90 WeakPolarHBondContact CG1-OG1 3.36Å; I82-K91 WeakPolarHBondContact CA-O 3.28Å; I82-L92 HydrophobicContact CB-CD1 4.35Å; I82-L92 HydrophobicContact CB-CG 4.22Å; I82-L92 HydrophobicContact CD1-CD1 3.66Å; I82-L92 HydrophobicContact CD1-CG 4.32Å; I82-L92 HydrophobicContact CG1-CD1 3.79Å; I82-L92 HydrophobicContact CG1-CG 4.22Å; I82-V118 HydrophobicContact CD1-CG2 4.48Å; I82-V118 HydrophobicContact CG1-CG2 4.38Å; I82-V118 HydrophobicContact CG2-CG1 4.45Å; I82-V118 HydrophobicContact CG2-CG2 3.72Å; I82-T120 HydrophobicContact CG2-CG2 3.47Å; I82-T120 VanDerWaalsContact CG2-CG2 3.47Å; I82-F125 HydrophobicContact CD1-CB 4.41Å; I82-F125 HydrophobicContact CD1-CD1 3.98Å; I82-F125 HydrophobicContact CD1-CD2 3.66Å; I82-F125 HydrophobicContact CD1-CE1 4.09Å; I82-F125 HydrophobicContact CD1-CE2 3.77Å; I82-F125 HydrophobicContact CD1-CG 3.76Å; I82-F125 HydrophobicContact CD1-CZ 4.01Å; I82-F127 HydrophobicContact CD1-CE1 4.41Å; I82-F127 HydrophobicContact CD1-CZ 3.65Å; I82-F127 HydrophobicContact CG1-CZ 4.17Å |
| 83 | G | 98.4 | Very high | 96.8 | Very high | 0 Ų | 0 | 16.7 Ų | 16.7 | 0% | 0 | 10% | 0.097 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.5 | 143.5 | -179.9 | 0 | 0 | 0 | 0 | 0 | 113.6 | D72 L85 T90 K91 | D72-G83 CarbonylContact O-C 3.59Å; D72-G83 WeakPolarHBondContact O-CA 3.2Å; G83-L85 WeakPolarHBondContact O-CD1 3.36Å; G83-T90 WeakPolarHBondContact O-CA 3.25Å; G83-T90 VanDerWaalsContact O-CB 3.29Å; G83-T90 WeakPolarHBondContact O-CB 3.36Å; G83-T90 PolarHBondContact O-OG1 2.92Å; G83-K91 PolarHBondContact N-O 3.25Å |
| 84 | A | 98.7 | Very high | 96.6 | Very high | 0 Ų | 0 | 18.1 Ų | 18.1 | 0% | 0 | 11% | 0.105 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.1 | 112.1 | 164.6 | 0 | 0 | 0 | 0 | 0 | 109.2 | L71 D72 L115 V118 F127 | L71-A84 PolarHBondContact N-O 3Å; D72-A84 HydrophobicContact CB-CB 4.01Å; D72-A84 PolarHBondContact O-N 2.82Å; A84-L115 HydrophobicContact CB-CB 3.68Å; A84-L115 HydrophobicContact CB-CD1 4.48Å; A84-V118 HydrophobicContact CB-CB 4.15Å; A84-V118 HydrophobicContact CB-CG1 4.13Å; A84-F127 HydrophobicContact CB-CD1 4.43Å |
| 85 | L | 98.7 | Very high | 96.6 | Very high | 0 Ų | 0 | 17.9 Ų | 17.9 | 0% | 0 | 10% | 0.103 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.4 | 150.7 | -175.8 | -73.4 | 66.8 | 0 | 0 | 0 | 112.6 | C67 G69 V70 G83 N87 G88 S89 K91 W93 L115 | C67-L85 HydrophobicContact CB-CD2 4.36Å; G69-L85 CarbonylContact O-C 3.59Å; G69-L85 VanDerWaalsContact O-CA 3.26Å; G69-L85 WeakPolarHBondContact O-CA 3.46Å; V70-L85 HydrophobicContact CG2-CG 4.36Å; G83-L85 WeakPolarHBondContact O-CD1 3.36Å; L85-N87 VanDerWaalsContact CB-OD1 3.27Å; L85-N87 WeakPolarHBondContact CB-OD1 3.39Å; L85-N87 PolarHBondContact O-N 3.12Å; L85-G88 PolarHBondContact O-N 3.04Å; L85-G88 VanDerWaalsContact O-N 3.08Å; L85-S89 WeakPolarHBondContact CB-O 3.19Å; L85-S89 PolarHBondContact N-O 2.78Å; L85-K91 HydrophobicContact CD1-CB 4.46Å; L85-K91 HydrophobicContact CD2-CD 3.92Å; L85-K91 HydrophobicContact CD2-CG 4.14Å; L85-W93 HydrophobicContact CD1-CH2 3.97Å; L85-L115 PolarHBondContact O-N 2.99Å |
| 86 | A | 98.4 | Very high | 96.5 | Very high | 3 Ų | 3 | 18.9 Ų | 18.9 | 3% | 0.025 | 11% | 0.111 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -73.4 | -12 | -173.3 | 0 | 0 | 0 | 0 | 0 | 114.1 | Y34 R43 G69 L71 G88 I114 | Y34-A86 HydrophobicContact CD2-CB 3.95Å; Y34-A86 HydrophobicContact CE2-CB 3.91Å; R43-A86 HydrophobicContact CB-CB 3.89Å; R43-A86 WeakPolarHBondContact CD-O 3.45Å; R43-A86 HydrophobicContact CG-CB 4.37Å; G69-A86 WeakPolarHBondContact O-CB 3.45Å; G69-A86 PolarHBondContact O-N 3.43Å; L71-A86 HydrophobicContact CD1-CB 4.04Å; L71-A86 HydrophobicContact CG-CB 4.29Å; A86-G88 VanDerWaalsContact C-N 3.34Å; A86-I114 HydrophobicContact CB-CG2 4.09Å |
| 87 | N | 97.5 | Very high | 96.1 | Very high | 85 Ų | 85 | 20.4 Ų | 20.4 | 46% | 0.455 | 12% | 0.12 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -87.5 | 2.4 | 171.7 | 67.8 | -11.6 | 0 | 0 | 0 | 113.5 | S68 L85 S89 | S68-N87 PolarHBondContact OG-N 2.99Å; L85-N87 VanDerWaalsContact CB-OD1 3.27Å; L85-N87 WeakPolarHBondContact CB-OD1 3.39Å; L85-N87 PolarHBondContact O-N 3.12Å; N87-S89 VanDerWaalsContact C-N 3.34Å; N87-S89 PolarHBondContact ND2-OG 3.38Å; N87-S89 PolarHBondContact OD1-N 3.32Å; N87-S89 PolarHBondContact OD1-OG 2.83Å; N87-S89 VanDerWaalsContact OD1-OG 3.12Å |
| 88 | G | 98.3 | Very high | 95.8 | Very high | 1 Ų | 1 | 25.4 Ų | 25.4 | 1% | 0.01 | 15% | 0.147 | C | C | . | . | S | Bend | trans | 85 | 1.8 | -178 | 0 | 0 | 0 | 0 | 0 | 115.2 | L85 A86 V110 S111 H113 | L85-G88 PolarHBondContact O-N 3.04Å; L85-G88 VanDerWaalsContact O-N 3.08Å; A86-G88 VanDerWaalsContact C-N 3.34Å; G88-V110 PolarHBondContact O-N 2.83Å; G88-S111 CarbonylContact C-O 3.55Å; G88-S111 WeakPolarHBondContact CA-O 3.39Å; G88-S111 PolarHBondContact O-N 2.88Å; G88-H113 WeakPolarHBondContact CA-O 3.38Å |
| 89 | S | 98.3 | Very high | 95.8 | Very high | 9 Ų | 9 | 28 Ų | 28 | 6% | 0.063 | 16% | 0.159 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.4 | 171.2 | 173.6 | 89.4 | 0 | 0 | 0 | 0 | 112 | L85 N87 D107 F108 L115 | L85-S89 WeakPolarHBondContact CB-O 3.19Å; L85-S89 PolarHBondContact N-O 2.78Å; N87-S89 VanDerWaalsContact C-N 3.34Å; N87-S89 PolarHBondContact ND2-OG 3.38Å; N87-S89 PolarHBondContact OD1-N 3.32Å; N87-S89 PolarHBondContact OD1-OG 2.83Å; N87-S89 VanDerWaalsContact OD1-OG 3.12Å; S89-D107 PolarHBondContact OG-OD1 3.34Å; S89-D107 VanDerWaalsContact OG-OD1 3.14Å; S89-F108 WeakPolarHBondContact CA-O 3.44Å; S89-F108 WeakPolarHBondContact CB-O 3.14Å; S89-L115 WeakPolarHBondContact O-CD1 3.32Å |
| 90 | T | 98.4 | Very high | 95.7 | Very high | 0 Ų | 0 | 27.2 Ų | 27.2 | 0% | 0 | 16% | 0.158 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130 | 148.7 | 169.8 | -175.3 | 0 | 0 | 0 | 0 | 109.5 | I82 G83 D107 F108 V110 F127 | I82-T90 VanDerWaalsContact CG1-OG1 3.23Å; I82-T90 WeakPolarHBondContact CG1-OG1 3.36Å; G83-T90 WeakPolarHBondContact O-CA 3.25Å; G83-T90 VanDerWaalsContact O-CB 3.29Å; G83-T90 WeakPolarHBondContact O-CB 3.36Å; G83-T90 PolarHBondContact O-OG1 2.92Å; T90-D107 WeakPolarHBondContact O-CA 3.25Å; T90-F108 HydrophobicContact CG2-CD1 3.74Å; T90-F108 HydrophobicContact CG2-CD2 3.89Å; T90-F108 HydrophobicContact CG2-CE1 3.22Å; T90-F108 HydrophobicContact CG2-CE2 3.41Å; T90-F108 VanDerWaalsContact CG2-CE2 3.41Å; T90-F108 HydrophobicContact CG2-CG 4.06Å; T90-F108 HydrophobicContact CG2-CZ 3.07Å; T90-F108 PolarHBondContact N-O 2.75Å; T90-F108 PolarHBondContact O-N 3.18Å; T90-V110 HydrophobicContact CG2-CG2 3.54Å; T90-F127 HydrophobicContact CG2-CE2 4.22Å; T90-F127 HydrophobicContact CG2-CZ 3.72Å; T90-F127 WeakPolarHBondContact OG1-CZ 3.38Å |
| 91 | K | 97.8 | Very high | 95.8 | Very high | 20 Ų | 20 | 28.6 Ų | 28.6 | 9% | 0.087 | 17% | 0.167 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.5 | 145.8 | 173.4 | -73.3 | 178.5 | 179.7 | -80.3 | 0 | 109.7 | C67 I82 G83 L85 W93 E104 M106 D107 | C67-K91 HydrophobicContact CB-CD 4.21Å; I82-K91 WeakPolarHBondContact CA-O 3.28Å; G83-K91 PolarHBondContact N-O 3.25Å; L85-K91 HydrophobicContact CD1-CB 4.46Å; L85-K91 HydrophobicContact CD2-CD 3.92Å; L85-K91 HydrophobicContact CD2-CG 4.14Å; K91-W93 HydrophobicContact CB-CD2 4.24Å; K91-W93 HydrophobicContact CB-CH2 3.81Å; K91-W93 HydrophobicContact CB-CZ2 3.39Å; K91-W93 HydrophobicContact CB-CZ3 4.36Å; K91-W93 HydrophobicContact CD-CZ2 3.83Å; K91-W93 HydrophobicContact CG-CZ2 4.21Å; K91-E104 IonicContact NZ-OE1 2.63Å; K91-E104 PolarHBondContact NZ-OE1 3.24Å; K91-E104 IonicContact NZ-OE2 2.83Å; K91-E104 PolarHBondContact NZ-OE2 3Å; K91-M106 VanDerWaalsContact CA-O 3.25Å; K91-M106 WeakPolarHBondContact CA-O 3.12Å; K91-D107 VanDerWaalsContact CE-OD2 3.26Å; K91-D107 WeakPolarHBondContact CE-OD2 3.16Å; K91-D107 HydrophobicContact CG-CB 3.94Å; K91-D107 VanDerWaalsContact NZ-CG 3.32Å; K91-D107 IonicContact NZ-OD2 2.73Å; K91-D107 PolarHBondContact NZ-OD2 3.18Å |
| 92 | L | 97.3 | Very high | 95.8 | Very high | 0 Ų | 0 | 29.3 Ų | 29.3 | 0% | 0 | 17% | 0.171 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.9 | 139.4 | 164.5 | -75.6 | 68.4 | 0 | 0 | 0 | 109.2 | L76 V80 A81 I82 L105 M106 F108 I139 | L76-L92 HydrophobicContact CD1-CD2 3.66Å; L76-L92 HydrophobicContact CD1-CG 4.07Å; V80-L92 HydrophobicContact CG1-CB 4.37Å; V80-L92 HydrophobicContact CG1-CD2 4.11Å; A81-L92 CarbonylContact O-C 3.49Å; A81-L92 VanDerWaalsContact O-CA 3.28Å; A81-L92 WeakPolarHBondContact O-CA 3.37Å; I82-L92 HydrophobicContact CB-CD1 4.35Å; I82-L92 HydrophobicContact CB-CG 4.22Å; I82-L92 HydrophobicContact CD1-CD1 3.66Å; I82-L92 HydrophobicContact CD1-CG 4.32Å; I82-L92 HydrophobicContact CG1-CD1 3.79Å; I82-L92 HydrophobicContact CG1-CG 4.22Å; L92-L105 HydrophobicContact CB-CB 4.35Å; L92-L105 PolarHBondContact O-N 2.97Å; L92-M106 HydrophobicContact CB-CG 3.6Å; L92-M106 HydrophobicContact CB-SD 4.17Å; L92-M106 HydrophobicContact CD1-CE 3.81Å; L92-M106 HydrophobicContact CD1-CG 3.87Å; L92-M106 HydrophobicContact CD1-SD 3.77Å; L92-M106 HydrophobicContact CD2-CG 4.23Å; L92-M106 HydrophobicContact CD2-SD 3.64Å; L92-M106 HydrophobicContact CG-CG 4.08Å; L92-M106 HydrophobicContact CG-SD 4.05Å; L92-M106 PolarHBondContact N-O 2.88Å; L92-F108 HydrophobicContact CD1-CE1 3.98Å; L92-I139 HydrophobicContact CD2-CD1 3.62Å |
| 93 | W | 97.3 | Very high | 95.7 | Very high | 0 Ų | 0 | 33.5 Ų | 33.5 | 0% | 0 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.2 | 139.9 | 177.1 | -56.5 | -83.6 | 0 | 0 | 0 | 110.7 | L47 V70 V80 A81 L85 K91 I102 I103 | L47-W93 HydrophobicContact CD1-CZ3 4.47Å; L47-W93 HydrophobicContact CD2-CB 4.35Å; L47-W93 HydrophobicContact CD2-CD2 3.65Å; L47-W93 HydrophobicContact CD2-CE3 3.61Å; L47-W93 HydrophobicContact CD2-CG 3.99Å; L47-W93 HydrophobicContact CD2-CH2 4.45Å; L47-W93 HydrophobicContact CD2-CZ3 4.01Å; V70-W93 HydrophobicContact CG2-CH2 4.21Å; V80-W93 CarbonylContact C-O 3.48Å; V80-W93 VanDerWaalsContact CA-O 3.27Å; V80-W93 WeakPolarHBondContact CA-O 3.49Å; A81-W93 PolarHBondContact N-O 2.9Å; A81-W93 PolarHBondContact O-N 3.42Å; L85-W93 HydrophobicContact CD1-CH2 3.97Å; K91-W93 HydrophobicContact CB-CD2 4.24Å; K91-W93 HydrophobicContact CB-CH2 3.81Å; K91-W93 HydrophobicContact CB-CZ2 3.39Å; K91-W93 HydrophobicContact CB-CZ3 4.36Å; K91-W93 HydrophobicContact CD-CZ2 3.83Å; K91-W93 HydrophobicContact CG-CZ2 4.21Å; W93-I102 HydrophobicContact CB-CG2 3.7Å; W93-I102 HydrophobicContact CG-CG2 3.75Å; W93-I103 CarbonylContact C-O 3.56Å; W93-I103 VanDerWaalsContact CA-O 3.27Å; W93-I103 WeakPolarHBondContact CA-O 3.48Å |
| 94 | N | 96.1 | Very high | 95.7 | Very high | 36 Ų | 36 | 37.3 Ų | 37.3 | 19% | 0.193 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91 | 123.3 | 163.4 | -175.3 | 32.7 | 0 | 0 | 0 | 108.8 | N79 I103 L105 | N79-N94 PolarHBondContact ND2-OD1 3.15Å; N94-I103 HydrophobicContact CB-CB 4.4Å; N94-I103 PolarHBondContact N-O 2.72Å; N94-I103 PolarHBondContact O-N 2.81Å; N94-L105 HydrophobicContact CB-CD1 4.04Å; N94-L105 HydrophobicContact CB-CD2 3.91Å; N94-L105 HydrophobicContact CB-CG 4.02Å |
| 95 | C | 96.8 | Very high | 95.5 | Very high | 1 Ų | 1 | 41.1 Ų | 41.1 | 1% | 0.007 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.8 | 128.5 | 179.6 | -60 | 0 | 0 | 0 | 0 | 109.2 | M28 L49 W75 N79 S101 | M28-C95 HydrophobicContact CE-CB 4.37Å; M28-C95 HydrophobicContact SD-CB 4.12Å; L49-C95 HydrophobicContact CD1-CB 4.37Å; W75-C95 HydrophobicContact CH2-CB 3.99Å; W75-C95 HydrophobicContact CZ3-CB 4.07Å; N79-C95 WeakPolarHBondContact CB-O 3.48Å; N79-C95 PolarHBondContact O-N 2.78Å; C95-S101 WeakPolarHBondContact CA-O 3.46Å |
| 96 | T | 94 | Very high | 95.3 | Very high | 43 Ų | 43 | 42.6 Ų | 42.6 | 26% | 0.264 | 24% | 0.238 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -116 | 147.3 | -178.8 | 50.5 | 0 | 0 | 0 | 0 | 110.5 | M28 S99 P100 S101 | M28-T96 VanDerWaalsContact SD-C 3.6Å; T96-S99 PolarHBondContact OG1-O 3.43Å; T96-P100 VanDerWaalsContact O-CA 3.26Å; T96-P100 WeakPolarHBondContact O-CA 3.39Å; T96-S101 PolarHBondContact N-O 3.21Å; T96-S101 PolarHBondContact OG1-N 2.98Å; T96-S101 PolarHBondContact OG1-OG 3.46Å |
| 97 | D | 85.4 | Confident | 95.2 | Very high | 60 Ų | 60 | 46.2 Ų | 46.2 | 32% | 0.321 | 26% | 0.257 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -102.1 | -38.9 | 177.4 | -166.7 | 36.3 | 0 | 0 | 0 | 112.9 | M28 S51 S99 P100 | M28-D97 HydrophobicContact CG-CB 4.02Å; M28-D97 HydrophobicContact SD-CB 3.98Å; S51-D97 VanDerWaalsContact CB-OD1 3.23Å; S51-D97 WeakPolarHBondContact CB-OD1 3.08Å; S51-D97 PolarHBondContact OG-OD1 2.69Å; D97-S99 PolarHBondContact O-N 2.84Å; D97-P100 VanDerWaalsContact O-CD 3.26Å; D97-P100 WeakPolarHBondContact O-CD 3.49Å; D97-P100 WeakPolarHBondContact O-CG 3.48Å |
| 98 | D | 85.8 | Confident | 95.2 | Very high | 166 Ų | 166 | 43.1 Ų | 43.1 | 89% | 0.888 | 24% | 0.239 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -62.7 | -31.2 | -178.5 | -68.9 | -36.4 | 0 | 0 | 0 | 113.6 | ||
| 99 | S | 90.3 | Very high | 95.2 | Very high | 90 Ų | 90 | 48 Ų | 48 | 63% | 0.629 | 27% | 0.27 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -139 | 88.3 | 171 | -69.6 | 0 | 0 | 0 | 0 | 106 | T96 D97 S101 | T96-S99 PolarHBondContact OG1-O 3.43Å; D97-S99 PolarHBondContact O-N 2.84Å; S99-S101 PolarHBondContact O-N 3.07Å; S99-S101 VanDerWaalsContact O-N 3.08Å |
| 100 | P | 92.2 | Very high | 95.2 | Very high | 52 Ų | 52 | 48 Ų | 48 | 34% | 0.338 | 27% | 0.27 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -54.3 | 117 | -168.7 | -30.2 | 36.6 | 0 | 0 | 0 | 113.1 | L49 T96 D97 | L49-P100 HydrophobicContact CD2-CB 4.37Å; T96-P100 VanDerWaalsContact O-CA 3.26Å; T96-P100 WeakPolarHBondContact O-CA 3.39Å; D97-P100 VanDerWaalsContact O-CD 3.26Å; D97-P100 WeakPolarHBondContact O-CD 3.49Å; D97-P100 WeakPolarHBondContact O-CG 3.48Å |
| 101 | S | 96.3 | Very high | 95.1 | Very high | 34 Ų | 34 | 48.5 Ų | 48.5 | 24% | 0.238 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -155 | 153.9 | -178.8 | 73.7 | 0 | 0 | 0 | 0 | 110.9 | C95 T96 S99 | C95-S101 WeakPolarHBondContact CA-O 3.46Å; T96-S101 PolarHBondContact N-O 3.21Å; T96-S101 PolarHBondContact OG1-N 2.98Å; T96-S101 PolarHBondContact OG1-OG 3.46Å; S99-S101 PolarHBondContact O-N 3.07Å; S99-S101 VanDerWaalsContact O-N 3.08Å |
| 102 | I | 97.8 | Very high | 95.1 | Very high | 16 Ų | 16 | 55.3 Ų | 55.3 | 8% | 0.082 | 31% | 0.311 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.6 | 118.3 | 170.6 | -52.4 | 172.7 | 0 | 0 | 0 | 107 | L47 L49 I65 W93 | L47-I102 HydrophobicContact CB-CD1 4.37Å; L47-I102 HydrophobicContact CD2-CD1 4.29Å; L47-I102 HydrophobicContact CD2-CG2 4.05Å; L47-I102 HydrophobicContact CG-CD1 4.33Å; L47-I102 WeakPolarHBondContact O-CD1 3.28Å; L49-I102 HydrophobicContact CB-CD1 3.66Å; L49-I102 HydrophobicContact CB-CG1 3.71Å; L49-I102 HydrophobicContact CD2-CG1 4.06Å; I65-I102 HydrophobicContact CB-CB 4.49Å; I65-I102 HydrophobicContact CB-CG2 4.41Å; I65-I102 HydrophobicContact CG2-CB 4.21Å; I65-I102 HydrophobicContact CG2-CD1 4.11Å; I65-I102 HydrophobicContact CG2-CG2 3.68Å; W93-I102 HydrophobicContact CB-CG2 3.7Å; W93-I102 HydrophobicContact CG-CG2 3.75Å |
| 103 | I | 96.7 | Very high | 95.2 | Very high | 87 Ų | 87 | 59.3 Ų | 59.3 | 45% | 0.446 | 33% | 0.329 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.4 | 117.6 | 179.1 | -57.6 | 172.1 | 0 | 0 | 0 | 108 | W93 N94 L105 | W93-I103 CarbonylContact C-O 3.56Å; W93-I103 VanDerWaalsContact CA-O 3.27Å; W93-I103 WeakPolarHBondContact CA-O 3.48Å; N94-I103 HydrophobicContact CB-CB 4.4Å; N94-I103 PolarHBondContact N-O 2.72Å; N94-I103 PolarHBondContact O-N 2.81Å; I103-L105 PolarHBondContact O-N 3.13Å |
| 104 | E | 96.7 | Very high | 95.2 | Very high | 80 Ų | 80 | 60.9 Ų | 60.9 | 37% | 0.374 | 34% | 0.338 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -65.3 | 122.7 | 172.1 | -174.9 | 176.2 | 136 | 0 | 0 | 110.2 | I65 K91 | I65-E104 HydrophobicContact CD1-CB 4.4Å; K91-E104 IonicContact NZ-OE1 2.63Å; K91-E104 PolarHBondContact NZ-OE1 3.24Å; K91-E104 IonicContact NZ-OE2 2.83Å; K91-E104 PolarHBondContact NZ-OE2 3Å |
| 105 | L | 95.6 | Very high | 95.4 | Very high | 80 Ų | 80 | 59.2 Ų | 59.2 | 42% | 0.419 | 33% | 0.329 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.7 | -37.3 | 177.5 | -63.3 | -178.6 | 0 | 0 | 0 | 111.7 | V80 L92 N94 I103 | V80-L105 HydrophobicContact CG1-CD1 4.05Å; V80-L105 HydrophobicContact CG2-CD1 4.21Å; L92-L105 HydrophobicContact CB-CB 4.35Å; L92-L105 PolarHBondContact O-N 2.97Å; N94-L105 HydrophobicContact CB-CD1 4.04Å; N94-L105 HydrophobicContact CB-CD2 3.91Å; N94-L105 HydrophobicContact CB-CG 4.02Å; I103-L105 PolarHBondContact O-N 3.13Å |
| 106 | M | 94.9 | Very high | 95.5 | Very high | 31 Ų | 31 | 60 Ų | 60 | 15% | 0.153 | 33% | 0.333 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -165.9 | 154.1 | -172.6 | 44.8 | -179.5 | -64.8 | 0 | 0 | 111.5 | K91 L92 F108 I139 P147 | K91-M106 VanDerWaalsContact CA-O 3.25Å; K91-M106 WeakPolarHBondContact CA-O 3.12Å; L92-M106 HydrophobicContact CB-CG 3.6Å; L92-M106 HydrophobicContact CB-SD 4.17Å; L92-M106 HydrophobicContact CD1-CE 3.81Å; L92-M106 HydrophobicContact CD1-CG 3.87Å; L92-M106 HydrophobicContact CD1-SD 3.77Å; L92-M106 HydrophobicContact CD2-CG 4.23Å; L92-M106 HydrophobicContact CD2-SD 3.64Å; L92-M106 HydrophobicContact CG-CG 4.08Å; L92-M106 HydrophobicContact CG-SD 4.05Å; L92-M106 PolarHBondContact N-O 2.88Å; M106-F108 HydrophobicContact CE-CD1 3.29Å; M106-F108 HydrophobicContact CE-CE1 3.08Å; M106-F108 HydrophobicContact CE-CG 4.48Å; M106-F108 HydrophobicContact CE-CZ 4.15Å; M106-I139 HydrophobicContact CE-CD1 4.46Å; M106-I139 HydrophobicContact SD-CD1 3.91Å; M106-P147 HydrophobicContact CE-CB 3.92Å; M106-P147 HydrophobicContact CE-CG 3.46Å; M106-P147 VanDerWaalsContact CE-CG 3.46Å |
| 107 | D | 95.8 | Very high | 95.7 | Very high | 79 Ų | 79 | 58 Ų | 58 | 42% | 0.422 | 32% | 0.321 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.2 | 129.8 | 175.5 | -176.3 | -1.4 | 0 | 0 | 0 | 108.3 | S89 T90 K91 | S89-D107 PolarHBondContact OG-OD1 3.34Å; S89-D107 VanDerWaalsContact OG-OD1 3.14Å; T90-D107 WeakPolarHBondContact O-CA 3.25Å; K91-D107 VanDerWaalsContact CE-OD2 3.26Å; K91-D107 WeakPolarHBondContact CE-OD2 3.16Å; K91-D107 HydrophobicContact CG-CB 3.94Å; K91-D107 VanDerWaalsContact NZ-CG 3.32Å; K91-D107 IonicContact NZ-OD2 2.73Å; K91-D107 PolarHBondContact NZ-OD2 3.18Å |
| 108 | F | 97 | Very high | 96.3 | Very high | 21 Ų | 21 | 55.4 Ų | 55.4 | 9% | 0.092 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -152.1 | 148.2 | 176.8 | 63.4 | -80.7 | 0 | 0 | 0 | 112.6 | S89 T90 L92 M106 V110 F125 W137 P147 | S89-F108 WeakPolarHBondContact CA-O 3.44Å; S89-F108 WeakPolarHBondContact CB-O 3.14Å; T90-F108 HydrophobicContact CG2-CD1 3.74Å; T90-F108 HydrophobicContact CG2-CD2 3.89Å; T90-F108 HydrophobicContact CG2-CE1 3.22Å; T90-F108 HydrophobicContact CG2-CE2 3.41Å; T90-F108 VanDerWaalsContact CG2-CE2 3.41Å; T90-F108 HydrophobicContact CG2-CG 4.06Å; T90-F108 HydrophobicContact CG2-CZ 3.07Å; T90-F108 PolarHBondContact N-O 2.75Å; T90-F108 PolarHBondContact O-N 3.18Å; L92-F108 HydrophobicContact CD1-CE1 3.98Å; M106-F108 HydrophobicContact CE-CD1 3.29Å; M106-F108 HydrophobicContact CE-CE1 3.08Å; M106-F108 HydrophobicContact CE-CG 4.48Å; M106-F108 HydrophobicContact CE-CZ 4.15Å; F108-V110 HydrophobicContact CD2-CG2 4.21Å; F108-V110 HydrophobicContact CE2-CG2 3.92Å; F108-F125 AromaticContact CZ-CE2 3.86Å; F108-F125 HydrophobicContact CZ-CE2 3.86Å; F108-F125 AromaticContact CZ-CZ 3.95Å; F108-F125 HydrophobicContact CZ-CZ 3.95Å; F108-W137 HydrophobicContact CD2-CE3 4.25Å; F108-W137 AromaticContact CD2-CH2 3.76Å; F108-W137 HydrophobicContact CD2-CH2 3.76Å; F108-W137 HydrophobicContact CD2-CZ2 4.27Å; F108-W137 AromaticContact CD2-CZ3 3.75Å; F108-W137 HydrophobicContact CD2-CZ3 3.75Å; F108-W137 AromaticContact CE2-CD2 3.84Å; F108-W137 HydrophobicContact CE2-CD2 3.84Å; F108-W137 AromaticContact CE2-CE3 3.57Å; F108-W137 HydrophobicContact CE2-CE3 3.57Å; F108-W137 AromaticContact CE2-CH2 3.82Å; F108-W137 HydrophobicContact CE2-CH2 3.82Å; F108-W137 HydrophobicContact CE2-CZ2 4.07Å; F108-W137 AromaticContact CE2-CZ3 3.56Å; F108-W137 HydrophobicContact CE2-CZ3 3.56Å; F108-W137 HydrophobicContact CZ-CE3 4.32Å; F108-P147 HydrophobicContact CD1-CB 4.44Å; F108-P147 HydrophobicContact CD1-CG 4.07Å; F108-P147 HydrophobicContact CD2-CG 4.49Å; F108-P147 HydrophobicContact CE1-CB 3.97Å; F108-P147 HydrophobicContact CE1-CG 4.06Å; F108-P147 HydrophobicContact CE2-CB 4.05Å; F108-P147 HydrophobicContact CE2-CG 4.47Å; F108-P147 HydrophobicContact CG-CG 4.27Å; F108-P147 HydrophobicContact CZ-CB 3.72Å; F108-P147 HydrophobicContact CZ-CG 4.24Å |
| 109 | P | 97.6 | Very high | 96.9 | Very high | 102 Ų | 102 | 48.6 Ų | 48.6 | 66% | 0.662 | 27% | 0.27 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -73.3 | 141.6 | 178.1 | 30.5 | -35 | 0 | 0 | 0 | 111.8 | ||
| 110 | V | 98.4 | Very high | 97.2 | Very high | 10 Ų | 10 | 45 Ų | 45 | 6% | 0.061 | 25% | 0.245 | C | C | . | . | trans | -118.3 | -44.7 | 177.5 | 176.5 | 0 | 0 | 0 | 0 | 111 | G88 T90 F108 L115 F127 W137 K152 | G88-V110 PolarHBondContact O-N 2.83Å; T90-V110 HydrophobicContact CG2-CG2 3.54Å; F108-V110 HydrophobicContact CD2-CG2 4.21Å; F108-V110 HydrophobicContact CE2-CG2 3.92Å; V110-L115 HydrophobicContact CB-CD1 3.98Å; V110-L115 HydrophobicContact CB-CD2 4.14Å; V110-L115 HydrophobicContact CG1-CD1 4.32Å; V110-L115 HydrophobicContact CG1-CD2 4.02Å; V110-L115 HydrophobicContact CG2-CD1 4.17Å; V110-F127 HydrophobicContact CG1-CB 4.16Å; V110-F127 HydrophobicContact CG1-CD2 3.72Å; V110-F127 HydrophobicContact CG1-CE2 4.31Å; V110-F127 HydrophobicContact CG1-CG 4.07Å; V110-F127 HydrophobicContact CG2-CD2 4.15Å; V110-F127 HydrophobicContact CG2-CE2 3.89Å; V110-F127 HydrophobicContact CG2-CZ 4.34Å; V110-W137 HydrophobicContact CG2-CZ2 4.39Å; V110-K152 PolarHBondContact O-NZ 2.83Å | ||
| 111 | S | 98.2 | Very high | 97.3 | Very high | 10 Ų | 10 | 43.2 Ų | 43.2 | 7% | 0.07 | 23% | 0.233 | C | C | . | . | trans | -141.4 | 160.5 | -178.5 | -163.1 | 0 | 0 | 0 | 0 | 112 | G88 H113 D129 | G88-S111 CarbonylContact C-O 3.55Å; G88-S111 WeakPolarHBondContact CA-O 3.39Å; G88-S111 PolarHBondContact O-N 2.88Å; S111-H113 PolarHBondContact OG-N 3.04Å; S111-D129 VanDerWaalsContact CB-OD2 3.28Å; S111-D129 WeakPolarHBondContact CB-OD2 3.37Å; S111-D129 PolarHBondContact OG-OD2 3.1Å | ||
| 112 | D | 97.6 | Very high | 97 | Very high | 164 Ų | 164 | 46.1 Ų | 46.1 | 88% | 0.877 | 25% | 0.254 | S | S | * | . | S | Bend | trans | -84.7 | -4.3 | 167.9 | -56.6 | -47.7 | 0 | 0 | 0 | 111.2 | ||
| 113 | H | 98.3 | Very high | 96.8 | Very high | 83 Ų | 83 | 47.4 Ų | 47.4 | 38% | 0.384 | 26% | 0.261 | S | S | . | . | S | Bend | trans | -105.8 | 163.7 | 176 | -64.6 | -86.1 | 0 | 0 | 0 | 111.2 | G88 S111 L115 D129 | G88-H113 WeakPolarHBondContact CA-O 3.38Å; S111-H113 PolarHBondContact OG-N 3.04Å; H113-L115 PolarHBondContact O-N 2.9Å; H113-D129 HydrophobicContact CB-CB 3.92Å |
| 114 | I | 98.4 | Very high | 96.7 | Very high | 33 Ų | 33 | 44.6 Ų | 44.6 | 17% | 0.169 | 25% | 0.245 | C | C | . | . | trans | -61.4 | 126.8 | 174.9 | -54.2 | 172.9 | 0 | 0 | 0 | 108.6 | L71 A86 L116 D129 S130 | L71-I114 HydrophobicContact CD1-CG2 3.31Å; A86-I114 HydrophobicContact CB-CG2 4.09Å; I114-L116 HydrophobicContact CG2-CD2 4.13Å; I114-D129 CarbonylContact O-C 3.59Å; I114-D129 WeakPolarHBondContact O-CA 3.29Å; I114-D129 VanDerWaalsContact O-CB 3.28Å; I114-D129 WeakPolarHBondContact O-CB 3.34Å; I114-S130 PolarHBondContact N-OG 3.35Å; I114-S130 PolarHBondContact O-N 3.41Å | ||
| 115 | L | 98.8 | Very high | 96.7 | Very high | 1 Ų | 1 | 40.8 Ų | 40.8 | 1% | 0.005 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -75.6 | 129.9 | 171.5 | -56.8 | -171 | 0 | 0 | 0 | 109.8 | L71 A84 L85 S89 V110 H113 F127 S128 D129 | L71-L115 WeakPolarHBondContact CD1-O 3.48Å; A84-L115 HydrophobicContact CB-CB 3.68Å; A84-L115 HydrophobicContact CB-CD1 4.48Å; L85-L115 PolarHBondContact O-N 2.99Å; S89-L115 WeakPolarHBondContact O-CD1 3.32Å; V110-L115 HydrophobicContact CB-CD1 3.98Å; V110-L115 HydrophobicContact CB-CD2 4.14Å; V110-L115 HydrophobicContact CG1-CD1 4.32Å; V110-L115 HydrophobicContact CG1-CD2 4.02Å; V110-L115 HydrophobicContact CG2-CD1 4.17Å; H113-L115 PolarHBondContact O-N 2.9Å; L115-F127 HydrophobicContact CD1-CD1 3.77Å; L115-F127 HydrophobicContact CD1-CE1 4.07Å; L115-F127 HydrophobicContact CD1-CG 4.25Å; L115-F127 HydrophobicContact CD2-CB 4.49Å; L115-S128 WeakPolarHBondContact CA-O 3.31Å; L115-D129 HydrophobicContact CD2-CB 4.11Å |
| 116 | L | 98.8 | Very high | 96.9 | Very high | 17 Ų | 17 | 37 Ų | 37 | 9% | 0.089 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.2 | -28.5 | -174.3 | -64.2 | -179.6 | 0 | 0 | 0 | 113.6 | L71 I114 S128 E159 A160 W161 | L71-L116 HydrophobicContact CD1-CD2 4.31Å; I114-L116 HydrophobicContact CG2-CD2 4.13Å; L116-S128 PolarHBondContact N-O 3.47Å; L116-E159 HydrophobicContact CD1-CB 4.05Å; L116-E159 HydrophobicContact CD1-CG 4.45Å; L116-A160 WeakPolarHBondContact CD1-O 3.45Å; L116-W161 HydrophobicContact CD1-CD2 4.39Å; L116-W161 HydrophobicContact CD1-CE3 3.83Å; L116-W161 HydrophobicContact CD1-CZ3 4.05Å; L116-W161 HydrophobicContact CD2-CE3 4.31Å; L116-W161 HydrophobicContact CD2-CZ3 3.96Å; L116-W161 HydrophobicContact CG-CE3 4.47Å |
| 117 | S | 98.8 | Very high | 97.1 | Very high | 3 Ų | 3 | 35.6 Ų | 35.6 | 2% | 0.021 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -147.9 | 157.8 | 175.9 | 72.7 | 0 | 0 | 0 | 0 | 112.8 | D72 F127 S128 C162 A163 | D72-S117 VanDerWaalsContact OD2-CA 3.24Å; D72-S117 WeakPolarHBondContact OD2-CA 3.26Å; D72-S117 WeakPolarHBondContact OD2-CB 3.48Å; S117-F127 WeakPolarHBondContact O-CA 3.27Å; S117-S128 PolarHBondContact N-OG 3.09Å; S117-S128 PolarHBondContact O-N 2.76Å; S117-S128 PolarHBondContact OG-OG 2.88Å; S117-C162 WeakPolarHBondContact OG-CA 3.49Å; S117-A163 PolarHBondContact OG-N 3.03Å |
| 118 | V | 98.7 | Very high | 97.2 | Very high | 5 Ų | 5 | 31.9 Ų | 31.9 | 3% | 0.03 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140 | 139.5 | 168.6 | 61.2 | 0 | 0 | 0 | 0 | 110.4 | D72 I82 A84 F125 V126 F127 | D72-V118 HydrophobicContact CB-CG1 4.24Å; D72-V118 PolarHBondContact OD2-N 2.93Å; I82-V118 HydrophobicContact CD1-CG2 4.48Å; I82-V118 HydrophobicContact CG1-CG2 4.38Å; I82-V118 HydrophobicContact CG2-CG1 4.45Å; I82-V118 HydrophobicContact CG2-CG2 3.72Å; A84-V118 HydrophobicContact CB-CB 4.15Å; A84-V118 HydrophobicContact CB-CG1 4.13Å; V118-F125 HydrophobicContact CG2-CB 4.49Å; V118-V126 VanDerWaalsContact CA-O 3.3Å; V118-V126 WeakPolarHBondContact CA-O 3.48Å; V118-F127 HydrophobicContact CB-CD1 3.67Å; V118-F127 HydrophobicContact CB-CE1 3.61Å; V118-F127 HydrophobicContact CG2-CD1 3.7Å; V118-F127 HydrophobicContact CG2-CE1 3.3Å; V118-F127 HydrophobicContact CG2-CZ 3.91Å |
| 119 | D | 98.4 | Very high | 97.3 | Very high | 22 Ų | 22 | 31.1 Ų | 31.1 | 12% | 0.118 | 18% | 0.177 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.6 | 140.4 | 171.7 | 178.4 | 59.7 | 0 | 0 | 0 | 110.6 | F125 V126 A163 C164 L165 K167 | D119-F125 CarbonylContact O-C 3.59Å; D119-F125 WeakPolarHBondContact O-CA 3.43Å; D119-F125 WeakPolarHBondContact O-CB 3.48Å; D119-V126 HydrophobicContact CB-CG1 3.95Å; D119-V126 PolarHBondContact N-O 2.92Å; D119-V126 PolarHBondContact O-N 2.84Å; D119-A163 WeakPolarHBondContact CB-O 3.33Å; D119-C164 HydrophobicContact CB-CB 4.01Å; D119-C164 WeakPolarHBondContact OD2-CA 3.21Å; D119-C164 WeakPolarHBondContact OD2-CB 2.93Å; D119-L165 PolarHBondContact OD2-N 3.26Å; D119-K167 IonicContact OD1-NZ 2.8Å; D119-K167 PolarHBondContact OD1-NZ 2.84Å; D119-K167 IonicContact OD2-NZ 2.74Å; D119-K167 PolarHBondContact OD2-NZ 2.62Å |
| 120 | T | 96.2 | Very high | 97.4 | Very high | 15 Ų | 15 | 27.6 Ų | 27.6 | 9% | 0.092 | 16% | 0.155 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.7 | 142.3 | -178 | 57.7 | 0 | 0 | 0 | 0 | 111.6 | S74 W75 L76 I82 R124 F125 K167 | S74-T120 WeakPolarHBondContact OG-CG2 3.47Å; S74-T120 PolarHBondContact OG-N 3.46Å; S74-T120 VanDerWaalsContact OG-N 3.13Å; S74-T120 PolarHBondContact OG-OG1 2.96Å; W75-T120 PolarHBondContact O-OG1 2.87Å; L76-T120 HydrophobicContact CD1-CG2 4.44Å; L76-T120 HydrophobicContact CG-CG2 3.92Å; I82-T120 HydrophobicContact CG2-CG2 3.47Å; I82-T120 VanDerWaalsContact CG2-CG2 3.47Å; T120-R124 WeakPolarHBondContact CA-O 3.38Å; T120-F125 HydrophobicContact CG2-CB 4.06Å; T120-K167 PolarHBondContact O-NZ 2.87Å |
| 121 | C | 94.9 | Very high | 97.4 | Very high | 14 Ų | 14 | 28.4 Ų | 28.4 | 10% | 0.095 | 17% | 0.165 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -147.8 | 112.4 | 168 | -173.6 | 0 | 0 | 0 | 0 | 109.6 | D123 R124 L165 K167 | C121-D123 PolarHBondContact O-N 2.65Å; C121-D123 VanDerWaalsContact O-N 3.12Å; C121-R124 PolarHBondContact N-O 2.78Å; C121-R124 PolarHBondContact O-N 2.98Å; C121-L165 HydrophobicContact CB-CB 3.68Å; C121-L165 HydrophobicContact CB-CD1 3.73Å; C121-L165 HydrophobicContact CB-CG 4.3Å; C121-K167 HydrophobicContact CB-CD 4.22Å |
| 122 | S | 89.5 | Confident | 97.4 | Very high | 95 Ų | 95 | 28 Ų | 28 | 66% | 0.664 | 16% | 0.162 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 58 | -110.3 | -178.6 | -49.9 | 0 | 0 | 0 | 0 | 112.1 | ||
| 123 | D | 92.9 | Very high | 97.4 | Very high | 43 Ų | 43 | 21.8 Ų | 21.8 | 23% | 0.23 | 13% | 0.129 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -99.9 | 9.7 | -178.2 | 63.8 | -11.5 | 0 | 0 | 0 | 112.9 | C121 K138 I139 A141 | C121-D123 PolarHBondContact O-N 2.65Å; C121-D123 VanDerWaalsContact O-N 3.12Å; D123-K138 VanDerWaalsContact CG-CE 3.48Å; D123-K138 CarbonylContact O-C 3.49Å; D123-K138 WeakPolarHBondContact O-CA 3.29Å; D123-K138 WeakPolarHBondContact O-CG 3.42Å; D123-K138 WeakPolarHBondContact OD2-CE 3.43Å; D123-K138 IonicContact OD2-NZ 2.81Å; D123-K138 PolarHBondContact OD2-NZ 2.88Å; D123-K138 VanDerWaalsContact OD2-NZ 3.11Å; D123-I139 PolarHBondContact O-N 3.38Å; D123-A141 HydrophobicContact CB-CB 4.18Å |
| 124 | R | 95.8 | Very high | 97.5 | Very high | 29 Ų | 29 | 17.9 Ų | 17.9 | 11% | 0.109 | 11% | 0.111 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123 | 154.8 | -177.5 | -64.8 | -177.6 | -169.8 | -141.2 | 10.9 | 112.2 | T120 C121 W137 K138 I150 L165 E171 | T120-R124 WeakPolarHBondContact CA-O 3.38Å; C121-R124 PolarHBondContact N-O 2.78Å; C121-R124 PolarHBondContact O-N 2.98Å; R124-W137 VanDerWaalsContact CA-O 3.26Å; R124-W137 WeakPolarHBondContact CA-O 3.36Å; R124-K138 HydrophobicContact CG-CG 4.48Å; R124-I150 HydrophobicContact CG-CD1 4.25Å; R124-L165 HydrophobicContact CB-CD1 3.88Å; R124-E171 IonicContact CZ-OE1 2.72Å; R124-E171 IonicContact NH1-OE1 3.11Å; R124-E171 IonicContact NH1-OE2 3.46Å; R124-E171 IonicContact NH2-OE1 2.72Å; R124-E171 PolarHBondContact NH2-OE1 2.83Å; R124-E171 IonicContact NH2-OE2 3.7Å |
| 125 | F | 97 | Very high | 97.5 | Very high | 0 Ų | 0 | 16.6 Ų | 16.6 | 0% | 0 | 11% | 0.105 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.7 | 149.3 | 166.2 | 42 | -92.9 | 0 | 0 | 0 | 110.6 | I82 F108 V118 D119 T120 F127 V136 W137 I139 P147 | I82-F125 HydrophobicContact CD1-CB 4.41Å; I82-F125 HydrophobicContact CD1-CD1 3.98Å; I82-F125 HydrophobicContact CD1-CD2 3.66Å; I82-F125 HydrophobicContact CD1-CE1 4.09Å; I82-F125 HydrophobicContact CD1-CE2 3.77Å; I82-F125 HydrophobicContact CD1-CG 3.76Å; I82-F125 HydrophobicContact CD1-CZ 4.01Å; F108-F125 AromaticContact CZ-CE2 3.86Å; F108-F125 HydrophobicContact CZ-CE2 3.86Å; F108-F125 AromaticContact CZ-CZ 3.95Å; F108-F125 HydrophobicContact CZ-CZ 3.95Å; V118-F125 HydrophobicContact CG2-CB 4.49Å; D119-F125 CarbonylContact O-C 3.59Å; D119-F125 WeakPolarHBondContact O-CA 3.43Å; D119-F125 WeakPolarHBondContact O-CB 3.48Å; T120-F125 HydrophobicContact CG2-CB 4.06Å; F125-F127 HydrophobicContact CD2-CD2 4.19Å; F125-F127 AromaticContact CD2-CE2 3.32Å; F125-F127 HydrophobicContact CD2-CE2 3.32Å; F125-F127 AromaticContact CD2-CZ 3.73Å; F125-F127 HydrophobicContact CD2-CZ 3.73Å; F125-F127 AromaticContact CE2-CE2 3.6Å; F125-F127 HydrophobicContact CE2-CE2 3.6Å; F125-F127 HydrophobicContact CE2-CZ 4.05Å; F125-V136 WeakPolarHBondContact O-CA 3.49Å; F125-W137 HydrophobicContact CD2-CB 3.57Å; F125-W137 HydrophobicContact CD2-CG 4.26Å; F125-W137 HydrophobicContact CE2-CB 3.13Å; F125-W137 HydrophobicContact CE2-CD2 4.43Å; F125-W137 AromaticContact CE2-CG 3.71Å; F125-W137 HydrophobicContact CE2-CG 3.71Å; F125-W137 HydrophobicContact CG-CB 4.43Å; F125-W137 HydrophobicContact CZ-CB 3.66Å; F125-W137 HydrophobicContact CZ-CG 4.48Å; F125-W137 PolarHBondContact N-O 3.08Å; F125-W137 VanDerWaalsContact N-O 3.09Å; F125-W137 PolarHBondContact O-N 2.96Å; F125-I139 HydrophobicContact CD1-CG2 4.41Å; F125-I139 HydrophobicContact CE1-CB 3.79Å; F125-I139 HydrophobicContact CE1-CD1 4.41Å; F125-I139 HydrophobicContact CE1-CG2 3.83Å; F125-I139 HydrophobicContact CZ-CB 4.46Å; F125-P147 HydrophobicContact CZ-CB 4.47Å |
| 126 | V | 98.7 | Very high | 97.5 | Very high | 0 Ų | 0 | 16.6 Ų | 16.6 | 0% | 0 | 11% | 0.105 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.8 | 140.7 | 177.9 | 61.8 | 0 | 0 | 0 | 0 | 109.6 | V118 D119 I134 S135 V136 A163 L165 V173 | V118-V126 VanDerWaalsContact CA-O 3.3Å; V118-V126 WeakPolarHBondContact CA-O 3.48Å; D119-V126 HydrophobicContact CB-CG1 3.95Å; D119-V126 PolarHBondContact N-O 2.92Å; D119-V126 PolarHBondContact O-N 2.84Å; V126-I134 HydrophobicContact CG2-CG2 3.72Å; V126-S135 CarbonylContact C-O 3.53Å; V126-S135 WeakPolarHBondContact CA-O 3.41Å; V126-V136 HydrophobicContact CB-CG2 4.07Å; V126-V136 HydrophobicContact CG2-CG2 3.79Å; V126-A163 HydrophobicContact CG1-CB 4.11Å; V126-A163 HydrophobicContact CG2-CB 3.74Å; V126-L165 HydrophobicContact CB-CD1 4.49Å; V126-L165 HydrophobicContact CB-CG 4.2Å; V126-L165 HydrophobicContact CG1-CD1 4.31Å; V126-L165 HydrophobicContact CG1-CG 3.88Å; V126-V173 HydrophobicContact CG2-CG1 3.89Å |
| 127 | F | 98.9 | Very high | 97.4 | Very high | 2 Ų | 2 | 17.2 Ų | 17.2 | 1% | 0.009 | 11% | 0.106 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.1 | 149.1 | 172.1 | -60.6 | -81.1 | 0 | 0 | 0 | 110.8 | I82 A84 T90 V110 L115 S117 V118 F125 I134 S135 W137 | I82-F127 HydrophobicContact CD1-CE1 4.41Å; I82-F127 HydrophobicContact CD1-CZ 3.65Å; I82-F127 HydrophobicContact CG1-CZ 4.17Å; A84-F127 HydrophobicContact CB-CD1 4.43Å; T90-F127 HydrophobicContact CG2-CE2 4.22Å; T90-F127 HydrophobicContact CG2-CZ 3.72Å; T90-F127 WeakPolarHBondContact OG1-CZ 3.38Å; V110-F127 HydrophobicContact CG1-CB 4.16Å; V110-F127 HydrophobicContact CG1-CD2 3.72Å; V110-F127 HydrophobicContact CG1-CE2 4.31Å; V110-F127 HydrophobicContact CG1-CG 4.07Å; V110-F127 HydrophobicContact CG2-CD2 4.15Å; V110-F127 HydrophobicContact CG2-CE2 3.89Å; V110-F127 HydrophobicContact CG2-CZ 4.34Å; L115-F127 HydrophobicContact CD1-CD1 3.77Å; L115-F127 HydrophobicContact CD1-CE1 4.07Å; L115-F127 HydrophobicContact CD1-CG 4.25Å; L115-F127 HydrophobicContact CD2-CB 4.49Å; S117-F127 WeakPolarHBondContact O-CA 3.27Å; V118-F127 HydrophobicContact CB-CD1 3.67Å; V118-F127 HydrophobicContact CB-CE1 3.61Å; V118-F127 HydrophobicContact CG2-CD1 3.7Å; V118-F127 HydrophobicContact CG2-CE1 3.3Å; V118-F127 HydrophobicContact CG2-CZ 3.91Å; F125-F127 HydrophobicContact CD2-CD2 4.19Å; F125-F127 AromaticContact CD2-CE2 3.32Å; F125-F127 HydrophobicContact CD2-CE2 3.32Å; F125-F127 AromaticContact CD2-CZ 3.73Å; F125-F127 HydrophobicContact CD2-CZ 3.73Å; F125-F127 AromaticContact CE2-CE2 3.6Å; F125-F127 HydrophobicContact CE2-CE2 3.6Å; F125-F127 HydrophobicContact CE2-CZ 4.05Å; F127-I134 WeakPolarHBondContact O-CA 3.38Å; F127-S135 PolarHBondContact N-O 2.73Å; F127-S135 PolarHBondContact O-N 2.82Å; F127-W137 AromaticContact CD2-CD1 3.95Å |
| 128 | S | 98.9 | Very high | 97.3 | Very high | 1 Ų | 1 | 20.8 Ų | 20.8 | 1% | 0.007 | 12% | 0.121 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.4 | 154.2 | 162.3 | 70.9 | 0 | 0 | 0 | 0 | 110.5 | L115 L116 S117 A160 | L115-S128 WeakPolarHBondContact CA-O 3.31Å; L116-S128 PolarHBondContact N-O 3.47Å; S117-S128 PolarHBondContact N-OG 3.09Å; S117-S128 PolarHBondContact O-N 2.76Å; S117-S128 PolarHBondContact OG-OG 2.88Å; S128-A160 WeakPolarHBondContact CB-O 3.43Å; S128-A160 PolarHBondContact OG-O 3.36Å |
| 129 | D | 98.9 | Very high | 97 | Very high | 5 Ų | 5 | 20.7 Ų | 20.7 | 3% | 0.027 | 12% | 0.121 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.8 | 168.9 | 179.2 | 73 | 32.1 | 0 | 0 | 0 | 114.2 | S111 H113 I114 L115 G131 G132 N133 A160 | S111-D129 VanDerWaalsContact CB-OD2 3.28Å; S111-D129 WeakPolarHBondContact CB-OD2 3.37Å; S111-D129 PolarHBondContact OG-OD2 3.1Å; H113-D129 HydrophobicContact CB-CB 3.92Å; I114-D129 CarbonylContact O-C 3.59Å; I114-D129 WeakPolarHBondContact O-CA 3.29Å; I114-D129 VanDerWaalsContact O-CB 3.28Å; I114-D129 WeakPolarHBondContact O-CB 3.34Å; L115-D129 HydrophobicContact CD2-CB 4.11Å; D129-G131 PolarHBondContact O-N 3.17Å; D129-G131 VanDerWaalsContact OD1-CA 3.29Å; D129-G131 WeakPolarHBondContact OD1-CA 3.32Å; D129-G131 PolarHBondContact OD1-N 2.93Å; D129-G132 PolarHBondContact O-N 2.85Å; D129-G132 VanDerWaalsContact O-N 3.08Å; D129-G132 PolarHBondContact OD1-N 3.19Å; D129-N133 PolarHBondContact N-O 2.9Å; D129-N133 VanDerWaalsContact N-O 3.07Å; D129-N133 WeakPolarHBondContact OD1-CB 3.17Å; D129-N133 PolarHBondContact OD1-N 2.96Å; D129-N133 PolarHBondContact OD1-ND2 2.89Å; D129-N133 WeakPolarHBondContact OD2-CB 3.27Å; D129-N133 PolarHBondContact OD2-ND2 3.31Å; D129-A160 PolarHBondContact O-N 3.12Å; D129-A160 VanDerWaalsContact O-N 3.15Å |
| 130 | S | 98.7 | Very high | 96.7 | Very high | 27 Ų | 27 | 23.1 Ų | 23.1 | 19% | 0.189 | 13% | 0.134 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -69.3 | -10.5 | -179.7 | 68.3 | 0 | 0 | 0 | 0 | 114.3 | I114 G132 | I114-S130 PolarHBondContact N-OG 3.35Å; I114-S130 PolarHBondContact O-N 3.41Å; S130-G132 VanDerWaalsContact C-N 3.32Å |
| 131 | G | 98.6 | Very high | 95.9 | Very high | 28 Ų | 28 | 25 Ų | 25 | 29% | 0.289 | 15% | 0.15 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -88.5 | 2.6 | 171 | 0 | 0 | 0 | 0 | 0 | 113.5 | D129 N133 | D129-G131 PolarHBondContact O-N 3.17Å; D129-G131 VanDerWaalsContact OD1-CA 3.29Å; D129-G131 WeakPolarHBondContact OD1-CA 3.32Å; D129-G131 PolarHBondContact OD1-N 2.93Å; G131-N133 VanDerWaalsContact C-N 3.28Å; G131-N133 PolarHBondContact O-N 2.98Å |
| 132 | G | 98.6 | Very high | 95.4 | Very high | 0 Ų | 0 | 29.5 Ų | 29.5 | 0% | 0 | 18% | 0.182 | C | C | . | . | S | Bend | trans | 78.9 | 9.2 | -175.7 | 0 | 0 | 0 | 0 | 0 | 113.9 | D129 S130 G155 H156 F158 | D129-G132 PolarHBondContact O-N 2.85Å; D129-G132 VanDerWaalsContact O-N 3.08Å; D129-G132 PolarHBondContact OD1-N 3.19Å; S130-G132 VanDerWaalsContact C-N 3.32Å; G132-G155 WeakPolarHBondContact O-CA 3.45Å; G132-G155 PolarHBondContact O-N 3.49Å; G132-H156 PolarHBondContact O-N 3.3Å; G132-F158 WeakPolarHBondContact CA-O 3.38Å |
| 133 | N | 98.7 | Very high | 95.2 | Very high | 35 Ų | 35 | 27.8 Ų | 27.8 | 19% | 0.187 | 17% | 0.17 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.5 | 151.4 | 179.1 | -44.4 | -84.8 | 0 | 0 | 0 | 111.3 | D129 G131 W153 | D129-N133 PolarHBondContact N-O 2.9Å; D129-N133 VanDerWaalsContact N-O 3.07Å; D129-N133 WeakPolarHBondContact OD1-CB 3.17Å; D129-N133 PolarHBondContact OD1-N 2.96Å; D129-N133 PolarHBondContact OD1-ND2 2.89Å; D129-N133 WeakPolarHBondContact OD2-CB 3.27Å; D129-N133 PolarHBondContact OD2-ND2 3.31Å; G131-N133 VanDerWaalsContact C-N 3.28Å; G131-N133 PolarHBondContact O-N 2.98Å; N133-W153 WeakPolarHBondContact CA-O 3.44Å |
| 134 | I | 98.8 | Very high | 94.7 | Very high | 1 Ų | 1 | 26.5 Ų | 26.5 | 1% | 0.005 | 17% | 0.165 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.2 | 138.1 | 178.1 | -48.6 | -66.3 | 0 | 0 | 0 | 108 | V126 F127 K152 W153 A160 A163 T175 | V126-I134 HydrophobicContact CG2-CG2 3.72Å; F127-I134 WeakPolarHBondContact O-CA 3.38Å; I134-K152 VanDerWaalsContact O-CA 3.32Å; I134-K152 WeakPolarHBondContact O-CA 3.26Å; I134-W153 HydrophobicContact CB-CD2 4.05Å; I134-W153 HydrophobicContact CB-CE3 4.3Å; I134-W153 HydrophobicContact CB-CH2 3.88Å; I134-W153 HydrophobicContact CB-CZ2 3.6Å; I134-W153 HydrophobicContact CB-CZ3 4.21Å; I134-W153 HydrophobicContact CG1-CZ2 4.13Å; I134-W153 HydrophobicContact CG2-CH2 3.35Å; I134-W153 HydrophobicContact CG2-CZ2 3.43Å; I134-W153 VanDerWaalsContact CG2-CZ2 3.43Å; I134-W153 HydrophobicContact CG2-CZ3 3.94Å; I134-W153 PolarHBondContact N-O 2.99Å; I134-W153 PolarHBondContact O-N 3.26Å; I134-A160 HydrophobicContact CD1-CB 3.89Å; I134-A163 HydrophobicContact CD1-CB 4.41Å; I134-T175 HydrophobicContact CD1-CG2 3.6Å; I134-T175 HydrophobicContact CG1-CG2 3.84Å; I134-T175 HydrophobicContact CG2-CG2 4.1Å |
| 135 | S | 98.6 | Very high | 94.3 | Very high | 6 Ų | 6 | 27.2 Ų | 27.2 | 4% | 0.042 | 17% | 0.174 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.8 | 129.4 | 177 | -169.1 | 0 | 0 | 0 | 0 | 111.1 | V126 F127 W137 N151 | V126-S135 CarbonylContact C-O 3.53Å; V126-S135 WeakPolarHBondContact CA-O 3.41Å; F127-S135 PolarHBondContact N-O 2.73Å; F127-S135 PolarHBondContact O-N 2.82Å; S135-W137 PolarHBondContact OG-NE1 3.32Å; S135-N151 CarbonylContact C-O 3.56Å; S135-N151 WeakPolarHBondContact CA-O 3.34Å; S135-N151 PolarHBondContact OG-O 3.43Å |
| 136 | V | 98.5 | Very high | 94 | Very high | 0 Ų | 0 | 31.1 Ų | 31.1 | 0% | 0 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.4 | 134.1 | 174.6 | -179.6 | 0 | 0 | 0 | 0 | 109.2 | F125 V126 I150 N151 W153 V173 L187 | F125-V136 WeakPolarHBondContact O-CA 3.49Å; V126-V136 HydrophobicContact CB-CG2 4.07Å; V126-V136 HydrophobicContact CG2-CG2 3.79Å; V136-I150 HydrophobicContact CG1-CD1 4.09Å; V136-I150 PolarHBondContact O-N 3.39Å; V136-N151 HydrophobicContact CB-CB 4.43Å; V136-N151 PolarHBondContact N-O 2.86Å; V136-N151 PolarHBondContact O-N 3.3Å; V136-W153 HydrophobicContact CG2-CH2 4.01Å; V136-W153 HydrophobicContact CG2-CZ3 3.98Å; V136-V173 HydrophobicContact CG2-CG2 4.03Å; V136-L187 HydrophobicContact CB-CD1 4.46Å; V136-L187 HydrophobicContact CB-CD2 4.48Å; V136-L187 HydrophobicContact CG1-CD1 3.94Å; V136-L187 HydrophobicContact CG2-CD1 4.33Å; V136-L187 HydrophobicContact CG2-CD2 3.93Å |
| 137 | W | 97.8 | Very high | 93.8 | Very high | 30 Ų | 30 | 33 Ų | 33 | 11% | 0.114 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.9 | 158.1 | -178.2 | -69.9 | 72.4 | 0 | 0 | 0 | 110.6 | F108 V110 R124 F125 F127 S135 P147 Q148 | F108-W137 HydrophobicContact CD2-CE3 4.25Å; F108-W137 AromaticContact CD2-CH2 3.76Å; F108-W137 HydrophobicContact CD2-CH2 3.76Å; F108-W137 HydrophobicContact CD2-CZ2 4.27Å; F108-W137 AromaticContact CD2-CZ3 3.75Å; F108-W137 HydrophobicContact CD2-CZ3 3.75Å; F108-W137 AromaticContact CE2-CD2 3.84Å; F108-W137 HydrophobicContact CE2-CD2 3.84Å; F108-W137 AromaticContact CE2-CE3 3.57Å; F108-W137 HydrophobicContact CE2-CE3 3.57Å; F108-W137 AromaticContact CE2-CH2 3.82Å; F108-W137 HydrophobicContact CE2-CH2 3.82Å; F108-W137 HydrophobicContact CE2-CZ2 4.07Å; F108-W137 AromaticContact CE2-CZ3 3.56Å; F108-W137 HydrophobicContact CE2-CZ3 3.56Å; F108-W137 HydrophobicContact CZ-CE3 4.32Å; V110-W137 HydrophobicContact CG2-CZ2 4.39Å; R124-W137 VanDerWaalsContact CA-O 3.26Å; R124-W137 WeakPolarHBondContact CA-O 3.36Å; F125-W137 HydrophobicContact CD2-CB 3.57Å; F125-W137 HydrophobicContact CD2-CG 4.26Å; F125-W137 HydrophobicContact CE2-CB 3.13Å; F125-W137 HydrophobicContact CE2-CD2 4.43Å; F125-W137 AromaticContact CE2-CG 3.71Å; F125-W137 HydrophobicContact CE2-CG 3.71Å; F125-W137 HydrophobicContact CG-CB 4.43Å; F125-W137 HydrophobicContact CZ-CB 3.66Å; F125-W137 HydrophobicContact CZ-CG 4.48Å; F125-W137 PolarHBondContact N-O 3.08Å; F125-W137 VanDerWaalsContact N-O 3.09Å; F125-W137 PolarHBondContact O-N 2.96Å; F127-W137 AromaticContact CD2-CD1 3.95Å; S135-W137 PolarHBondContact OG-NE1 3.32Å; W137-P147 HydrophobicContact CE3-CB 3.96Å; W137-P147 HydrophobicContact CZ3-CB 4.21Å; W137-Q148 CarbonylContact C-O 3.5Å; W137-Q148 WeakPolarHBondContact CA-O 3.06Å |
| 138 | K | 95.7 | Very high | 93.7 | Very high | 78 Ų | 78 | 39 Ų | 39 | 34% | 0.339 | 24% | 0.241 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.3 | 148.6 | 173.1 | -155.9 | 176.3 | -179.2 | 174.4 | 0 | 109.9 | D123 R124 P147 Q148 I150 | D123-K138 VanDerWaalsContact CG-CE 3.48Å; D123-K138 CarbonylContact O-C 3.49Å; D123-K138 WeakPolarHBondContact O-CA 3.29Å; D123-K138 WeakPolarHBondContact O-CG 3.42Å; D123-K138 WeakPolarHBondContact OD2-CE 3.43Å; D123-K138 IonicContact OD2-NZ 2.81Å; D123-K138 PolarHBondContact OD2-NZ 2.88Å; D123-K138 VanDerWaalsContact OD2-NZ 3.11Å; R124-K138 HydrophobicContact CG-CG 4.48Å; K138-P147 CarbonylContact O-C 3.56Å; K138-P147 VanDerWaalsContact O-CA 3.3Å; K138-P147 WeakPolarHBondContact O-CA 3.44Å; K138-Q148 PolarHBondContact N-O 3.13Å; K138-Q148 PolarHBondContact O-N 3.27Å; K138-I150 HydrophobicContact CB-CD1 3.67Å; K138-I150 HydrophobicContact CB-CG1 3.9Å; K138-I150 HydrophobicContact CG-CD1 4.33Å |
| 139 | I | 94.1 | Very high | 93.6 | Very high | 4 Ų | 4 | 41.9 Ų | 41.9 | 2% | 0.021 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.1 | 155.2 | 168.9 | -160.8 | 168.4 | 0 | 0 | 0 | 109.9 | L76 L92 M106 D123 F125 A141 C144 S145 | L76-I139 HydrophobicContact CD2-CG2 3.83Å; L92-I139 HydrophobicContact CD2-CD1 3.62Å; M106-I139 HydrophobicContact CE-CD1 4.46Å; M106-I139 HydrophobicContact SD-CD1 3.91Å; D123-I139 PolarHBondContact O-N 3.38Å; F125-I139 HydrophobicContact CD1-CG2 4.41Å; F125-I139 HydrophobicContact CE1-CB 3.79Å; F125-I139 HydrophobicContact CE1-CD1 4.41Å; F125-I139 HydrophobicContact CE1-CG2 3.83Å; F125-I139 HydrophobicContact CZ-CB 4.46Å; I139-A141 PolarHBondContact O-N 3.42Å; I139-A141 VanDerWaalsContact O-N 3.11Å; I139-C144 WeakPolarHBondContact CD1-O 3.3Å; I139-S145 WeakPolarHBondContact CG1-O 3.18Å |
| 140 | D | 90.6 | Very high | 93.5 | Very high | 73 Ų | 73 | 44.8 Ų | 44.8 | 39% | 0.39 | 28% | 0.276 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.4 | 106.3 | 165.7 | 175.1 | -1.5 | 0 | 0 | 0 | 108.8 | S142 S143 C144 S145 | D140-S142 PolarHBondContact O-N 2.64Å; D140-S142 WeakPolarHBondContact OD1-CB 3.33Å; D140-S142 PolarHBondContact OD1-N 2.84Å; D140-S142 PolarHBondContact OD1-OG 2.93Å; D140-S142 PolarHBondContact OD2-OG 2.97Å; D140-S143 WeakPolarHBondContact CB-OG 3.34Å; D140-S143 PolarHBondContact O-N 2.82Å; D140-S143 PolarHBondContact OD2-OG 2.94Å; D140-C144 WeakPolarHBondContact O-CA 3.35Å; D140-C144 PolarHBondContact O-N 3.14Å; D140-S145 PolarHBondContact N-O 2.86Å |
| 141 | A | 80.2 | Confident | 93.4 | Very high | 53 Ų | 53 | 44.8 Ų | 44.8 | 44% | 0.438 | 27% | 0.274 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -60.5 | -26.2 | -177.8 | 0 | 0 | 0 | 0 | 0 | 113.7 | D123 I139 | D123-A141 HydrophobicContact CB-CB 4.18Å; I139-A141 PolarHBondContact O-N 3.42Å; I139-A141 VanDerWaalsContact O-N 3.11Å |
| 142 | S | 83.5 | Confident | 93.4 | Very high | 110 Ų | 110 | 48.7 Ų | 48.7 | 77% | 0.769 | 28% | 0.283 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77 | -36.8 | -178.4 | 70.2 | 0 | 0 | 0 | 0 | 112.5 | D140 | D140-S142 PolarHBondContact O-N 2.64Å; D140-S142 WeakPolarHBondContact OD1-CB 3.33Å; D140-S142 PolarHBondContact OD1-N 2.84Å; D140-S142 PolarHBondContact OD1-OG 2.93Å; D140-S142 PolarHBondContact OD2-OG 2.97Å |
| 143 | S | 85.8 | Confident | 93.4 | Very high | 58 Ų | 58 | 49.4 Ų | 49.4 | 41% | 0.406 | 29% | 0.286 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -103.8 | -9 | -178.5 | 61 | 0 | 0 | 0 | 0 | 113.2 | D140 S145 | D140-S143 WeakPolarHBondContact CB-OG 3.34Å; D140-S143 PolarHBondContact O-N 2.82Å; D140-S143 PolarHBondContact OD2-OG 2.94Å; S143-S145 PolarHBondContact O-N 3.18Å; S143-S145 PolarHBondContact OG-OG 3.33Å |
| 144 | C | 83.3 | Confident | 93.3 | Very high | 17 Ų | 17 | 52.6 Ų | 52.6 | 12% | 0.115 | 31% | 0.308 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 45.8 | 45 | -168 | -65.4 | 0 | 0 | 0 | 0 | 111.2 | I139 D140 | I139-C144 WeakPolarHBondContact CD1-O 3.3Å; D140-C144 WeakPolarHBondContact O-CA 3.35Å; D140-C144 PolarHBondContact O-N 3.14Å |
| 145 | S | 87.2 | Confident | 93.3 | Very high | 43 Ų | 43 | 53 Ų | 53 | 30% | 0.301 | 31% | 0.314 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.5 | 169.3 | -173.8 | 82.3 | 0 | 0 | 0 | 0 | 112.7 | I139 D140 S143 | I139-S145 WeakPolarHBondContact CG1-O 3.18Å; D140-S145 PolarHBondContact N-O 2.86Å; S143-S145 PolarHBondContact O-N 3.18Å; S143-S145 PolarHBondContact OG-OG 3.33Å |
| 146 | S | 90.6 | Very high | 93.2 | Very high | 82 Ų | 82 | 53.4 Ų | 53.4 | 57% | 0.573 | 32% | 0.315 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | 59 | 61.7 | 175.8 | -57.2 | 0 | 0 | 0 | 0 | 113.2 | Q148 | S146-Q148 PolarHBondContact O-N 3.13Å |
| 147 | P | 95 | Very high | 93.2 | Very high | 40 Ų | 40 | 60.5 Ų | 60.5 | 26% | 0.26 | 35% | 0.348 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -60.9 | 135.4 | 175 | 31.3 | -39 | 0 | 0 | 0 | 110.7 | M106 F108 F125 W137 K138 | M106-P147 HydrophobicContact CE-CB 3.92Å; M106-P147 HydrophobicContact CE-CG 3.46Å; M106-P147 VanDerWaalsContact CE-CG 3.46Å; F108-P147 HydrophobicContact CD1-CB 4.44Å; F108-P147 HydrophobicContact CD1-CG 4.07Å; F108-P147 HydrophobicContact CD2-CG 4.49Å; F108-P147 HydrophobicContact CE1-CB 3.97Å; F108-P147 HydrophobicContact CE1-CG 4.06Å; F108-P147 HydrophobicContact CE2-CB 4.05Å; F108-P147 HydrophobicContact CE2-CG 4.47Å; F108-P147 HydrophobicContact CG-CG 4.27Å; F108-P147 HydrophobicContact CZ-CB 3.72Å; F108-P147 HydrophobicContact CZ-CG 4.24Å; F125-P147 HydrophobicContact CZ-CB 4.47Å; W137-P147 HydrophobicContact CE3-CB 3.96Å; W137-P147 HydrophobicContact CZ3-CB 4.21Å; K138-P147 CarbonylContact O-C 3.56Å; K138-P147 VanDerWaalsContact O-CA 3.3Å; K138-P147 WeakPolarHBondContact O-CA 3.44Å |
| 148 | Q | 96.1 | Very high | 93.2 | Very high | 127 Ų | 127 | 64.5 Ų | 64.5 | 59% | 0.593 | 37% | 0.366 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -130.9 | 124.5 | 178.3 | -66.6 | -175.7 | -18.9 | 0 | 0 | 110.2 | W137 K138 S146 I150 | W137-Q148 CarbonylContact C-O 3.5Å; W137-Q148 WeakPolarHBondContact CA-O 3.06Å; K138-Q148 PolarHBondContact N-O 3.13Å; K138-Q148 PolarHBondContact O-N 3.27Å; S146-Q148 PolarHBondContact O-N 3.13Å; Q148-I150 PolarHBondContact O-N 2.92Å |
| 149 | S | 96.6 | Very high | 93.4 | Very high | 62 Ų | 62 | 64.3 Ų | 64.3 | 43% | 0.434 | 37% | 0.366 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.3 | 124.1 | 172.3 | -167.7 | 0 | 0 | 0 | 0 | 109.4 | ||
| 150 | I | 95.8 | Very high | 93.6 | Very high | 66 Ų | 66 | 64.1 Ų | 64.1 | 34% | 0.338 | 37% | 0.365 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.6 | -47.7 | -179.8 | -44.1 | 178 | 0 | 0 | 0 | 109.9 | R124 V136 K138 Q148 | R124-I150 HydrophobicContact CG-CD1 4.25Å; V136-I150 HydrophobicContact CG1-CD1 4.09Å; V136-I150 PolarHBondContact O-N 3.39Å; K138-I150 HydrophobicContact CB-CD1 3.67Å; K138-I150 HydrophobicContact CB-CG1 3.9Å; K138-I150 HydrophobicContact CG-CD1 4.33Å; Q148-I150 PolarHBondContact O-N 2.92Å |
| 151 | N | 97.5 | Very high | 94 | Very high | 28 Ų | 28 | 63.2 Ų | 63.2 | 15% | 0.15 | 36% | 0.357 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.2 | 144.1 | -177.3 | -65.5 | 94.9 | 0 | 0 | 0 | 109.9 | S135 V136 W153 L187 | S135-N151 CarbonylContact C-O 3.56Å; S135-N151 WeakPolarHBondContact CA-O 3.34Å; S135-N151 PolarHBondContact OG-O 3.43Å; V136-N151 HydrophobicContact CB-CB 4.43Å; V136-N151 PolarHBondContact N-O 2.86Å; V136-N151 PolarHBondContact O-N 3.3Å; N151-W153 HydrophobicContact CB-CE3 3.93Å; N151-W153 HydrophobicContact CB-CZ3 3.71Å; N151-L187 HydrophobicContact CB-CD2 4.29Å |
| 152 | K | 97.7 | Very high | 94.9 | Very high | 109 Ų | 109 | 61.1 Ų | 61.1 | 47% | 0.474 | 34% | 0.339 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.8 | 130.5 | 166.8 | -172.7 | 169.4 | -178.5 | 168.3 | 0 | 108.4 | V110 I134 | V110-K152 PolarHBondContact O-NZ 2.83Å; I134-K152 VanDerWaalsContact O-CA 3.32Å; I134-K152 WeakPolarHBondContact O-CA 3.26Å |
| 153 | W | 98.4 | Very high | 95.6 | Very high | 16 Ų | 16 | 56.1 Ų | 56.1 | 6% | 0.061 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -152.2 | 154.5 | 179.9 | 70.1 | 99.9 | 0 | 0 | 0 | 111.4 | N133 I134 V136 N151 G155 W185 L187 C191 | N133-W153 WeakPolarHBondContact CA-O 3.44Å; I134-W153 HydrophobicContact CB-CD2 4.05Å; I134-W153 HydrophobicContact CB-CE3 4.3Å; I134-W153 HydrophobicContact CB-CH2 3.88Å; I134-W153 HydrophobicContact CB-CZ2 3.6Å; I134-W153 HydrophobicContact CB-CZ3 4.21Å; I134-W153 HydrophobicContact CG1-CZ2 4.13Å; I134-W153 HydrophobicContact CG2-CH2 3.35Å; I134-W153 HydrophobicContact CG2-CZ2 3.43Å; I134-W153 VanDerWaalsContact CG2-CZ2 3.43Å; I134-W153 HydrophobicContact CG2-CZ3 3.94Å; I134-W153 PolarHBondContact N-O 2.99Å; I134-W153 PolarHBondContact O-N 3.26Å; V136-W153 HydrophobicContact CG2-CH2 4.01Å; V136-W153 HydrophobicContact CG2-CZ3 3.98Å; N151-W153 HydrophobicContact CB-CE3 3.93Å; N151-W153 HydrophobicContact CB-CZ3 3.71Å; W153-G155 PolarHBondContact O-N 2.68Å; W153-G155 VanDerWaalsContact O-N 3.14Å; W153-W185 AromaticContact CD1-CH2 3.99Å; W153-W185 AromaticContact CD1-CZ3 3.88Å; W153-W185 AromaticContact CE2-CD2 3.98Å; W153-W185 HydrophobicContact CZ2-CB 4.09Å; W153-W185 AromaticContact CZ2-CD1 3.97Å; W153-W185 HydrophobicContact CZ2-CD2 4.02Å; W153-W185 AromaticContact CZ2-CG 3.76Å; W153-W185 HydrophobicContact CZ2-CG 3.76Å; W153-W185 AromaticContact NE1-CD2 3.49Å; W153-W185 AromaticContact NE1-CE2 3.53Å; W153-W185 AromaticContact NE1-CE3 3.53Å; W153-W185 AromaticContact NE1-CH2 3.68Å; W153-W185 AromaticContact NE1-CZ2 3.65Å; W153-W185 AromaticContact NE1-CZ3 3.61Å; W153-L187 HydrophobicContact CH2-CD2 3.96Å; W153-L187 HydrophobicContact CZ3-CD2 4.05Å; W153-C191 HydrophobicContact CB-CB 4.18Å; W153-C191 HydrophobicContact CD2-CB 3.36Å; W153-C191 HydrophobicContact CE3-CB 3.73Å; W153-C191 HydrophobicContact CG-CB 3.57Å; W153-C191 HydrophobicContact CH2-CB 4.49Å; W153-C191 HydrophobicContact CZ2-CB 4.18Å; W153-C191 HydrophobicContact CZ3-CB 4.29Å |
| 154 | P | 97.8 | Very high | 96.2 | Very high | 101 Ų | 101 | 53.6 Ų | 53.6 | 66% | 0.656 | 29% | 0.286 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -72.9 | 100.9 | 167.9 | 30.1 | -32.5 | 0 | 0 | 0 | 108.5 | ||
| 155 | G | 97.9 | Very high | 96.9 | Very high | 11 Ų | 11 | 52.8 Ų | 52.8 | 11% | 0.113 | 28% | 0.281 | C | S | . | . | trans | -79.9 | -35.8 | -176.2 | 0 | 0 | 0 | 0 | 0 | 112.9 | G132 W153 W185 | G132-G155 WeakPolarHBondContact O-CA 3.45Å; G132-G155 PolarHBondContact O-N 3.49Å; W153-G155 PolarHBondContact O-N 2.68Å; W153-G155 VanDerWaalsContact O-N 3.14Å; G155-W185 VanDerWaalsContact O-CZ2 3.31Å; G155-W185 WeakPolarHBondContact O-CZ2 3.41Å | ||
| 156 | H | 98.2 | Very high | 97.4 | Very high | 14 Ų | 14 | 51.3 Ų | 51.3 | 7% | 0.065 | 27% | 0.269 | C | S | . | . | trans | -137.9 | 163.4 | -173.4 | -67.7 | -87.5 | 0 | 0 | 0 | 111.7 | G132 T175 S177 D179 K181 | G132-H156 PolarHBondContact O-N 3.3Å; H156-T175 WeakPolarHBondContact NE2-CB 3.29Å; H156-T175 PolarHBondContact NE2-OG1 2.82Å; H156-S177 WeakPolarHBondContact CB-OG 3.3Å; H156-S177 WeakPolarHBondContact ND1-CB 3.28Å; H156-D179 IonicContact CE1-OD1 3.4Å; H156-D179 IonicContact CG-OD2 2.83Å; H156-D179 VanDerWaalsContact ND1-CG 3.27Å; H156-D179 IonicContact ND1-OD1 3.47Å; H156-D179 PolarHBondContact ND1-OD1 2.92Å; H156-D179 IonicContact ND1-OD2 3.9Å; H156-D179 PolarHBondContact ND1-OD2 2.98Å; H156-K181 PolarHBondContact CE1-O 2.93Å | ||
| 157 | E | 97.4 | Very high | 97.6 | Very high | 149 Ų | 149 | 51.6 Ų | 51.6 | 70% | 0.696 | 26% | 0.261 | S | S | * | . | S | Bend | trans | -86.3 | -14.5 | 178.9 | -67.1 | 170.2 | 142.3 | 0 | 0 | 112.8 | K181 | E157-K181 IonicContact OE2-NZ 2.74Å; E157-K181 PolarHBondContact OE2-NZ 2.84Å |
| 158 | F | 98.3 | Very high | 97.6 | Very high | 114 Ų | 114 | 56.1 Ų | 56.1 | 50% | 0.5 | 27% | 0.273 | S | S | . | . | S | Bend | trans | -134.5 | -178.3 | -178.6 | -65.7 | -85.6 | 0 | 0 | 0 | 109.5 | G132 A160 S177 D178 D179 | G132-F158 WeakPolarHBondContact CA-O 3.38Å; F158-A160 PolarHBondContact O-N 2.82Å; F158-S177 PolarHBondContact O-OG 3.4Å; F158-D178 HydrophobicContact CB-CB 4.05Å; F158-D179 HydrophobicContact CB-CB 4.36Å; F158-D179 HydrophobicContact CD2-CB 3.66Å; F158-D179 HydrophobicContact CG-CB 4.48Å |
| 159 | E | 98.7 | Very high | 97.5 | Very high | 73 Ų | 73 | 53.1 Ų | 53.1 | 34% | 0.341 | 26% | 0.261 | S | S | . | . | trans | -45 | 122.6 | 177.4 | -71.9 | 77.8 | 177.9 | 0 | 0 | 111.1 | L116 W161 S177 D178 | L116-E159 HydrophobicContact CD1-CB 4.05Å; L116-E159 HydrophobicContact CD1-CG 4.45Å; E159-W161 HydrophobicContact CB-CZ2 4.22Å; E159-W161 HydrophobicContact CG-CZ2 4.49Å; E159-W161 PolarHBondContact O-N 2.88Å; E159-S177 WeakPolarHBondContact O-CA 3.18Å; E159-S177 WeakPolarHBondContact O-CB 3.23Å; E159-S177 PolarHBondContact O-OG 2.82Å; E159-D178 PolarHBondContact O-N 3.27Å; E159-D178 VanDerWaalsContact O-N 3.12Å | ||
| 160 | A | 98.8 | Very high | 97.4 | Very high | 0 Ų | 0 | 51.6 Ų | 51.6 | 0% | 0 | 25% | 0.25 | C | C | . | . | trans | -91.5 | 92.5 | 174.4 | 0 | 0 | 0 | 0 | 0 | 108.4 | L116 S128 D129 I134 F158 C162 G176 | L116-A160 WeakPolarHBondContact CD1-O 3.45Å; S128-A160 WeakPolarHBondContact CB-O 3.43Å; S128-A160 PolarHBondContact OG-O 3.36Å; D129-A160 PolarHBondContact O-N 3.12Å; D129-A160 VanDerWaalsContact O-N 3.15Å; I134-A160 HydrophobicContact CD1-CB 3.89Å; F158-A160 PolarHBondContact O-N 2.82Å; A160-C162 VanDerWaalsContact C-N 3.29Å; A160-C162 PolarHBondContact O-N 3.19Å; A160-G176 CarbonylContact C-O 3.56Å; A160-G176 WeakPolarHBondContact CA-O 3.36Å | ||
| 161 | W | 98.7 | Very high | 97.4 | Very high | 55 Ų | 55 | 50.6 Ų | 50.6 | 21% | 0.208 | 24% | 0.244 | C | C | . | . | trans | -63.9 | -31.3 | -175.9 | -70.7 | 119.9 | 0 | 0 | 0 | 114.6 | L116 E159 G176 D178 W257 | L116-W161 HydrophobicContact CD1-CD2 4.39Å; L116-W161 HydrophobicContact CD1-CE3 3.83Å; L116-W161 HydrophobicContact CD1-CZ3 4.05Å; L116-W161 HydrophobicContact CD2-CE3 4.31Å; L116-W161 HydrophobicContact CD2-CZ3 3.96Å; L116-W161 HydrophobicContact CG-CE3 4.47Å; E159-W161 HydrophobicContact CB-CZ2 4.22Å; E159-W161 HydrophobicContact CG-CZ2 4.49Å; E159-W161 PolarHBondContact O-N 2.88Å; W161-G176 PolarHBondContact N-O 2.74Å; W161-D178 PolarHBondContact NE1-OD1 2.84Å; W161-D178 PolarHBondContact NE1-OD2 2.83Å; W161-W257 HydrophobicContact CD2-CH2 4.03Å; W161-W257 HydrophobicContact CD2-CZ3 4.43Å; W161-W257 AromaticContact CE3-CH2 3.66Å; W161-W257 HydrophobicContact CE3-CH2 3.66Å; W161-W257 HydrophobicContact CE3-CZ2 4.28Å; W161-W257 HydrophobicContact CE3-CZ3 4.48Å; W161-W257 HydrophobicContact CH2-CH2 4.11Å; W161-W257 HydrophobicContact CZ2-CH2 4.42Å; W161-W257 AromaticContact CZ3-CH2 3.71Å; W161-W257 HydrophobicContact CZ3-CH2 3.71Å; W161-W257 HydrophobicContact CZ3-CZ2 4.32Å | ||
| 162 | C | 98.7 | Very high | 97.4 | Very high | 9 Ų | 9 | 50.1 Ų | 50.1 | 6% | 0.061 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -146.3 | 144 | -175.5 | 56.9 | 0 | 0 | 0 | 0 | 112.4 | S117 A160 T175 G176 | S117-C162 WeakPolarHBondContact OG-CA 3.49Å; A160-C162 VanDerWaalsContact C-N 3.29Å; A160-C162 PolarHBondContact O-N 3.19Å; C162-T175 CarbonylContact O-C 3.56Å; C162-T175 VanDerWaalsContact O-CA 3.32Å; C162-T175 WeakPolarHBondContact O-CA 3.17Å; C162-G176 PolarHBondContact N-O 2.8Å; C162-G176 PolarHBondContact O-N 2.96Å |
| 163 | A | 98.8 | Very high | 97.4 | Very high | 5 Ų | 5 | 44.9 Ų | 44.9 | 4% | 0.041 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.5 | 140.1 | 165.6 | 0 | 0 | 0 | 0 | 0 | 109.5 | S117 D119 V126 I134 F174 T175 | S117-A163 PolarHBondContact OG-N 3.03Å; D119-A163 WeakPolarHBondContact CB-O 3.33Å; V126-A163 HydrophobicContact CG1-CB 4.11Å; V126-A163 HydrophobicContact CG2-CB 3.74Å; I134-A163 HydrophobicContact CD1-CB 4.41Å; A163-F174 CarbonylContact C-O 3.58Å; A163-F174 VanDerWaalsContact CA-O 3.24Å; A163-F174 WeakPolarHBondContact CA-O 3.43Å; A163-T175 HydrophobicContact CB-CG2 3.99Å |
| 164 | C | 98.2 | Very high | 97.4 | Very high | 5 Ų | 5 | 44.1 Ų | 44.1 | 3% | 0.034 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.6 | 145.3 | 172.4 | 69.6 | 0 | 0 | 0 | 0 | 112.1 | D119 F174 I207 | D119-C164 HydrophobicContact CB-CB 4.01Å; D119-C164 WeakPolarHBondContact OD2-CA 3.21Å; D119-C164 WeakPolarHBondContact OD2-CB 2.93Å; C164-F174 PolarHBondContact N-O 3.39Å; C164-F174 PolarHBondContact O-N 2.78Å; C164-I207 VanDerWaalsContact SG-CG2 3.53Å |
| 165 | L | 98 | Very high | 97.5 | Very high | 0 Ų | 0 | 39.3 Ų | 39.3 | 0% | 0 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -75.3 | 144.1 | 172.4 | -72.8 | 156.5 | 0 | 0 | 0 | 109.4 | D119 C121 R124 V126 K167 V173 N209 | D119-L165 PolarHBondContact OD2-N 3.26Å; C121-L165 HydrophobicContact CB-CB 3.68Å; C121-L165 HydrophobicContact CB-CD1 3.73Å; C121-L165 HydrophobicContact CB-CG 4.3Å; R124-L165 HydrophobicContact CB-CD1 3.88Å; V126-L165 HydrophobicContact CB-CD1 4.49Å; V126-L165 HydrophobicContact CB-CG 4.2Å; V126-L165 HydrophobicContact CG1-CD1 4.31Å; V126-L165 HydrophobicContact CG1-CG 3.88Å; L165-K167 PolarHBondContact O-N 3.33Å; L165-V173 HydrophobicContact CD2-CG2 3.94Å; L165-N209 PolarHBondContact O-ND2 2.81Å |
| 166 | N | 97.3 | Very high | 97.5 | Very high | 11 Ų | 11 | 38.8 Ų | 38.8 | 6% | 0.059 | 18% | 0.179 | C | C | . | . | trans | -69.6 | 119.8 | 168.9 | -179 | -33.8 | 0 | 0 | 0 | 109.1 | W168 N169 S170 I172 F174 N209 | N166-W168 PolarHBondContact O-N 3.35Å; N166-W168 WeakPolarHBondContact OD1-CA 3.38Å; N166-W168 VanDerWaalsContact OD1-CB 3.31Å; N166-W168 WeakPolarHBondContact OD1-CB 3.46Å; N166-W168 PolarHBondContact OD1-N 3.21Å; N166-N169 WeakPolarHBondContact CB-O 3.23Å; N166-N169 CarbonylContact O-C 3.53Å; N166-N169 PolarHBondContact O-N 3Å; N166-N169 PolarHBondContact OD1-N 3.19Å; N166-S170 PolarHBondContact O-N 3.27Å; N166-I172 HydrophobicContact CB-CB 3.82Å; N166-I172 HydrophobicContact CB-CG2 4.13Å; N166-I172 PolarHBondContact N-O 3.04Å; N166-F174 HydrophobicContact CB-CE2 3.64Å; N166-F174 HydrophobicContact CB-CZ 3.9Å; N166-N209 VanDerWaalsContact CA-OD1 3.26Å; N166-N209 WeakPolarHBondContact CA-OD1 3.46Å | ||
| 167 | K | 95.7 | Very high | 97.6 | Very high | 89 Ų | 89 | 38.1 Ų | 38.1 | 39% | 0.387 | 18% | 0.176 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -68.4 | -18.4 | -175.7 | -56 | -49 | -174.4 | -171.3 | 0 | 113.5 | D119 T120 C121 L165 N209 | D119-K167 IonicContact OD1-NZ 2.8Å; D119-K167 PolarHBondContact OD1-NZ 2.84Å; D119-K167 IonicContact OD2-NZ 2.74Å; D119-K167 PolarHBondContact OD2-NZ 2.62Å; T120-K167 PolarHBondContact O-NZ 2.87Å; C121-K167 HydrophobicContact CB-CD 4.22Å; L165-K167 PolarHBondContact O-N 3.33Å; K167-N209 HydrophobicContact CG-CB 3.97Å; K167-N209 PolarHBondContact N-OD1 2.89Å |
| 168 | W | 94.8 | Very high | 97.6 | Very high | 135 Ų | 135 | 34.1 Ų | 34.1 | 51% | 0.511 | 16% | 0.159 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -94.6 | -20.5 | 177.6 | -53.8 | 90.8 | 0 | 0 | 0 | 112.7 | N166 P211 D214 | N166-W168 PolarHBondContact O-N 3.35Å; N166-W168 WeakPolarHBondContact OD1-CA 3.38Å; N166-W168 VanDerWaalsContact OD1-CB 3.31Å; N166-W168 WeakPolarHBondContact OD1-CB 3.46Å; N166-W168 PolarHBondContact OD1-N 3.21Å; W168-P211 WeakPolarHBondContact CZ2-O 3.23Å; W168-D214 HydrophobicContact CB-CB 3.84Å; W168-D214 VanDerWaalsContact CD1-CA 3.47Å; W168-D214 HydrophobicContact CD2-CB 3.62Å; W168-D214 HydrophobicContact CE3-CB 4.11Å; W168-D214 HydrophobicContact CG-CB 3.5Å |
| 169 | N | 95.2 | Very high | 97.6 | Very high | 64 Ų | 64 | 29.5 Ų | 29.5 | 34% | 0.342 | 14% | 0.139 | S | C | . | . | trans | -154.6 | 96.7 | 177.6 | 178.9 | 5.3 | 0 | 0 | 0 | 111 | N166 E171 I172 | N166-N169 WeakPolarHBondContact CB-O 3.23Å; N166-N169 CarbonylContact O-C 3.53Å; N166-N169 PolarHBondContact O-N 3Å; N166-N169 PolarHBondContact OD1-N 3.19Å; N169-E171 PolarHBondContact O-N 2.97Å; N169-E171 WeakPolarHBondContact OD1-CB 3.34Å; N169-E171 PolarHBondContact OD1-N 3.32Å; N169-I172 PolarHBondContact O-N 3.35Å | ||
| 170 | S | 94.3 | Very high | 97.5 | Very high | 29 Ų | 29 | 27.5 Ų | 27.5 | 20% | 0.203 | 13% | 0.134 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -67.7 | 1.1 | -175.9 | 60.8 | 0 | 0 | 0 | 0 | 115.5 | N166 I172 | N166-S170 PolarHBondContact O-N 3.27Å; S170-I172 VanDerWaalsContact C-N 3.32Å |
| 171 | E | 95.8 | Very high | 97.4 | Very high | 46 Ų | 46 | 29 Ų | 29 | 22% | 0.215 | 14% | 0.14 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -83.1 | -8.9 | 167.8 | -60.1 | -62.9 | 159.2 | 0 | 0 | 113 | R124 N169 D186 L187 R188 | R124-E171 IonicContact CZ-OE1 2.72Å; R124-E171 IonicContact NH1-OE1 3.11Å; R124-E171 IonicContact NH1-OE2 3.46Å; R124-E171 IonicContact NH2-OE1 2.72Å; R124-E171 PolarHBondContact NH2-OE1 2.83Å; R124-E171 IonicContact NH2-OE2 3.7Å; N169-E171 PolarHBondContact O-N 2.97Å; N169-E171 WeakPolarHBondContact OD1-CB 3.34Å; N169-E171 PolarHBondContact OD1-N 3.32Å; E171-D186 WeakPolarHBondContact O-CA 3.15Å; E171-L187 WeakPolarHBondContact O-CG 3.24Å; E171-L187 PolarHBondContact O-N 2.78Å; E171-R188 HydrophobicContact CB-CG 4.24Å; E171-R188 HydrophobicContact CG-CG 4.22Å |
| 172 | I | 96.7 | Very high | 97.3 | Very high | 17 Ų | 17 | 26.4 Ų | 26.4 | 9% | 0.087 | 13% | 0.13 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.6 | 134 | 176.4 | -56.7 | -58.8 | 0 | 0 | 0 | 109.9 | N166 N169 S170 F174 V184 W185 D186 L195 | N166-I172 HydrophobicContact CB-CB 3.82Å; N166-I172 HydrophobicContact CB-CG2 4.13Å; N166-I172 PolarHBondContact N-O 3.04Å; N169-I172 PolarHBondContact O-N 3.35Å; S170-I172 VanDerWaalsContact C-N 3.32Å; I172-F174 HydrophobicContact CG2-CD1 4.41Å; I172-F174 HydrophobicContact CG2-CE1 3.78Å; I172-F174 HydrophobicContact CG2-CZ 3.96Å; I172-V184 HydrophobicContact CG2-CG1 3.81Å; I172-W185 VanDerWaalsContact CA-O 3.32Å; I172-W185 WeakPolarHBondContact CA-O 3.47Å; I172-D186 HydrophobicContact CD1-CB 3.94Å; I172-L195 HydrophobicContact CD1-CD1 4.17Å |
| 173 | V | 98.4 | Very high | 97.3 | Very high | 0 Ų | 0 | 26.1 Ų | 26.1 | 0% | 0 | 13% | 0.128 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.9 | 136.6 | 177 | -177.9 | 0 | 0 | 0 | 0 | 109.1 | V126 V136 L165 T175 W185 L187 | V126-V173 HydrophobicContact CG2-CG1 3.89Å; V136-V173 HydrophobicContact CG2-CG2 4.03Å; L165-V173 HydrophobicContact CD2-CG2 3.94Å; V173-T175 HydrophobicContact CG1-CG2 3.87Å; V173-W185 HydrophobicContact CB-CB 4.31Å; V173-W185 PolarHBondContact N-O 2.94Å; V173-W185 PolarHBondContact O-N 2.8Å; V173-L187 HydrophobicContact CG2-CD1 4.16Å; V173-L187 HydrophobicContact CG2-CD2 3.78Å; V173-L187 HydrophobicContact CG2-CG 4.03Å |
| 174 | F | 98.5 | Very high | 97.2 | Very high | 0 Ų | 0 | 26.3 Ų | 26.3 | 0% | 0 | 13% | 0.129 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.8 | 139.7 | 169.5 | -49.4 | -61.6 | 0 | 0 | 0 | 109.3 | A163 C164 N166 I172 C183 V184 I207 I217 L231 | A163-F174 CarbonylContact C-O 3.58Å; A163-F174 VanDerWaalsContact CA-O 3.24Å; A163-F174 WeakPolarHBondContact CA-O 3.43Å; C164-F174 PolarHBondContact N-O 3.39Å; C164-F174 PolarHBondContact O-N 2.78Å; N166-F174 HydrophobicContact CB-CE2 3.64Å; N166-F174 HydrophobicContact CB-CZ 3.9Å; I172-F174 HydrophobicContact CG2-CD1 4.41Å; I172-F174 HydrophobicContact CG2-CE1 3.78Å; I172-F174 HydrophobicContact CG2-CZ 3.96Å; F174-C183 WeakPolarHBondContact CA-O 3.37Å; F174-V184 HydrophobicContact CD1-CB 4.38Å; F174-V184 HydrophobicContact CD1-CG1 4.06Å; F174-V184 HydrophobicContact CD1-CG2 3.99Å; F174-V184 HydrophobicContact CE1-CG1 3.84Å; F174-V184 HydrophobicContact CE1-CG2 4.17Å; F174-I207 HydrophobicContact CB-CD1 4.13Å; F174-I207 HydrophobicContact CB-CG2 3.94Å; F174-I207 HydrophobicContact CG-CG2 4.5Å; F174-I217 HydrophobicContact CD1-CD1 4.26Å; F174-I217 HydrophobicContact CD2-CG2 4.04Å; F174-I217 HydrophobicContact CE1-CG2 4.23Å; F174-I217 HydrophobicContact CE2-CG2 3.56Å; F174-I217 HydrophobicContact CG-CD1 4.46Å; F174-I217 HydrophobicContact CZ-CG2 3.66Å; F174-L231 HydrophobicContact CE1-CD1 3.77Å; F174-L231 HydrophobicContact CE1-CD2 4.11Å; F174-L231 HydrophobicContact CZ-CD1 3.64Å |
| 175 | T | 98.9 | Very high | 97.1 | Very high | 0 Ų | 0 | 26.5 Ų | 26.5 | 0% | 0 | 13% | 0.129 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.2 | 147.1 | 179.1 | 64.8 | 0 | 0 | 0 | 0 | 110.5 | I134 H156 C162 A163 V173 C182 C183 W185 | I134-T175 HydrophobicContact CD1-CG2 3.6Å; I134-T175 HydrophobicContact CG1-CG2 3.84Å; I134-T175 HydrophobicContact CG2-CG2 4.1Å; H156-T175 WeakPolarHBondContact NE2-CB 3.29Å; H156-T175 PolarHBondContact NE2-OG1 2.82Å; C162-T175 CarbonylContact O-C 3.56Å; C162-T175 VanDerWaalsContact O-CA 3.32Å; C162-T175 WeakPolarHBondContact O-CA 3.17Å; A163-T175 HydrophobicContact CB-CG2 3.99Å; V173-T175 HydrophobicContact CG1-CG2 3.87Å; T175-C182 CarbonylContact O-C 3.59Å; T175-C182 WeakPolarHBondContact O-CA 3.36Å; T175-C183 PolarHBondContact N-O 2.84Å; T175-C183 PolarHBondContact O-N 3.14Å; T175-W185 PolarHBondContact OG1-NE1 2.99Å |
| 176 | G | 98.7 | Very high | 97.1 | Very high | 0 Ų | 0 | 26.9 Ų | 26.9 | 0% | 0 | 13% | 0.131 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136 | 144.6 | -179.6 | 0 | 0 | 0 | 0 | 0 | 111.1 | A160 W161 C162 V204 | A160-G176 CarbonylContact C-O 3.56Å; A160-G176 WeakPolarHBondContact CA-O 3.36Å; W161-G176 PolarHBondContact N-O 2.74Å; C162-G176 PolarHBondContact N-O 2.8Å; C162-G176 PolarHBondContact O-N 2.96Å; G176-V204 CarbonylContact C-O 3.53Å |
| 177 | S | 98.8 | Very high | 97 | Very high | 0 Ų | 0 | 26.8 Ų | 26.8 | 0% | 0 | 13% | 0.13 | C | C | . | . | trans | -149.8 | 164.5 | -170.3 | 172.3 | 0 | 0 | 0 | 0 | 112.6 | H156 F158 E159 D179 S180 K181 G203 V204 | H156-S177 WeakPolarHBondContact CB-OG 3.3Å; H156-S177 WeakPolarHBondContact ND1-CB 3.28Å; F158-S177 PolarHBondContact O-OG 3.4Å; E159-S177 WeakPolarHBondContact O-CA 3.18Å; E159-S177 WeakPolarHBondContact O-CB 3.23Å; E159-S177 PolarHBondContact O-OG 2.82Å; S177-D179 WeakPolarHBondContact CB-OD1 3.29Å; S177-D179 PolarHBondContact O-N 2.85Å; S177-D179 PolarHBondContact OG-N 2.88Å; S177-D179 VanDerWaalsContact OG-N 3.15Å; S177-S180 PolarHBondContact O-N 2.91Å; S177-K181 PolarHBondContact N-O 2.87Å; S177-G203 WeakPolarHBondContact O-CA 3.2Å; S177-V204 PolarHBondContact N-O 2.92Å; S177-V204 PolarHBondContact O-N 3.38Å | ||
| 178 | D | 98.5 | Very high | 97 | Very high | 64 Ų | 64 | 30.2 Ų | 30.2 | 34% | 0.342 | 14% | 0.141 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -62.8 | -12.7 | 166.7 | -89.2 | -5.7 | 0 | 0 | 0 | 114.6 | F158 E159 W161 S180 | F158-D178 HydrophobicContact CB-CB 4.05Å; E159-D178 PolarHBondContact O-N 3.27Å; E159-D178 VanDerWaalsContact O-N 3.12Å; W161-D178 PolarHBondContact NE1-OD1 2.84Å; W161-D178 PolarHBondContact NE1-OD2 2.83Å; D178-S180 PolarHBondContact O-N 2.89Å |
| 179 | D | 97.8 | Very high | 97 | Very high | 17 Ų | 17 | 29.8 Ų | 29.8 | 9% | 0.091 | 14% | 0.142 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -69.3 | 6.3 | 169.2 | 85.3 | -14.9 | 0 | 0 | 0 | 114 | H156 F158 S177 K181 | H156-D179 IonicContact CE1-OD1 3.4Å; H156-D179 IonicContact CG-OD2 2.83Å; H156-D179 VanDerWaalsContact ND1-CG 3.27Å; H156-D179 IonicContact ND1-OD1 3.47Å; H156-D179 PolarHBondContact ND1-OD1 2.92Å; H156-D179 IonicContact ND1-OD2 3.9Å; H156-D179 PolarHBondContact ND1-OD2 2.98Å; F158-D179 HydrophobicContact CB-CB 4.36Å; F158-D179 HydrophobicContact CD2-CB 3.66Å; F158-D179 HydrophobicContact CG-CB 4.48Å; S177-D179 WeakPolarHBondContact CB-OD1 3.29Å; S177-D179 PolarHBondContact O-N 2.85Å; S177-D179 PolarHBondContact OG-N 2.88Å; S177-D179 VanDerWaalsContact OG-N 3.15Å; D179-K181 PolarHBondContact O-N 3.32Å; D179-K181 VanDerWaalsContact OD1-CB 3.22Å; D179-K181 WeakPolarHBondContact OD1-CB 3.4Å; D179-K181 PolarHBondContact OD1-N 2.85Å; D179-K181 WeakPolarHBondContact OD2-CD 3.46Å; D179-K181 WeakPolarHBondContact OD2-CE 3.46Å; D179-K181 IonicContact OD2-NZ 2.63Å; D179-K181 PolarHBondContact OD2-NZ 3.06Å |
| 180 | S | 96.9 | Very high | 96.8 | Very high | 32 Ų | 32 | 32.7 Ų | 32.7 | 22% | 0.224 | 15% | 0.154 | C | C | . | . | S | Bend | trans | 63.2 | 24.9 | 179 | -49.2 | 0 | 0 | 0 | 0 | 113.9 | S177 D178 H200 V202 | S177-S180 PolarHBondContact O-N 2.91Å; D178-S180 PolarHBondContact O-N 2.89Å; S180-H200 PolarHBondContact O-N 2.84Å; S180-V202 WeakPolarHBondContact CA-O 3.36Å; S180-V202 VanDerWaalsContact OG-C 3.31Å; S180-V202 WeakPolarHBondContact OG-CA 3.32Å |
| 181 | K | 96.8 | Very high | 96.8 | Very high | 31 Ų | 31 | 31.6 Ų | 31.6 | 14% | 0.135 | 15% | 0.146 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.9 | 137.9 | 178.6 | -56 | 168.4 | -148.5 | 139.2 | 0 | 110.4 | H156 E157 S177 D179 I197 I198 | H156-K181 PolarHBondContact CE1-O 2.93Å; E157-K181 IonicContact OE2-NZ 2.74Å; E157-K181 PolarHBondContact OE2-NZ 2.84Å; S177-K181 PolarHBondContact N-O 2.87Å; D179-K181 PolarHBondContact O-N 3.32Å; D179-K181 VanDerWaalsContact OD1-CB 3.22Å; D179-K181 WeakPolarHBondContact OD1-CB 3.4Å; D179-K181 PolarHBondContact OD1-N 2.85Å; D179-K181 WeakPolarHBondContact OD2-CD 3.46Å; D179-K181 WeakPolarHBondContact OD2-CE 3.46Å; D179-K181 IonicContact OD2-NZ 2.63Å; D179-K181 PolarHBondContact OD2-NZ 3.06Å; K181-I197 HydrophobicContact CB-CG2 3.95Å; K181-I197 HydrophobicContact CD-CG2 4.23Å; K181-I197 HydrophobicContact CG-CG2 3.97Å; K181-I198 WeakPolarHBondContact CA-O 3.34Å |
| 182 | C | 97.6 | Very high | 96.6 | Very high | 0 Ų | 0 | 37.2 Ų | 37.2 | 0% | 0 | 17% | 0.17 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.1 | 121.1 | 153.9 | 174.4 | 0 | 0 | 0 | 0 | 108.7 | T175 I197 I198 V204 T219 | T175-C182 CarbonylContact O-C 3.59Å; T175-C182 WeakPolarHBondContact O-CA 3.36Å; C182-I197 WeakPolarHBondContact O-CA 3.43Å; C182-I198 HydrophobicContact CB-CB 4.14Å; C182-I198 HydrophobicContact CB-CD1 4.48Å; C182-I198 PolarHBondContact N-O 2.82Å; C182-I198 PolarHBondContact O-N 3.02Å; C182-V204 HydrophobicContact CB-CG1 4.36Å; C182-V204 HydrophobicContact CB-CG2 4.33Å; C182-T219 HydrophobicContact CB-CG2 4.31Å |
| 183 | C | 97.2 | Very high | 96.5 | Very high | 4 Ų | 4 | 44.2 Ų | 44.2 | 3% | 0.027 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.4 | 140 | -176.4 | -72.5 | 0 | 0 | 0 | 0 | 110.8 | F174 T175 W185 P194 | F174-C183 WeakPolarHBondContact CA-O 3.37Å; T175-C183 PolarHBondContact N-O 2.84Å; T175-C183 PolarHBondContact O-N 3.14Å; C183-W185 HydrophobicContact CB-CZ2 3.64Å; C183-W185 VanDerWaalsContact CB-NE1 3.32Å; C183-P194 HydrophobicContact CB-CB 4.03Å |
| 184 | V | 96.9 | Very high | 96.3 | Very high | 8 Ų | 8 | 45.9 Ų | 45.9 | 5% | 0.048 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.1 | 124.1 | 173.3 | -173.3 | 0 | 0 | 0 | 0 | 108.8 | I172 F174 P194 L195 N196 L231 | I172-V184 HydrophobicContact CG2-CG1 3.81Å; F174-V184 HydrophobicContact CD1-CB 4.38Å; F174-V184 HydrophobicContact CD1-CG1 4.06Å; F174-V184 HydrophobicContact CD1-CG2 3.99Å; F174-V184 HydrophobicContact CE1-CG1 3.84Å; F174-V184 HydrophobicContact CE1-CG2 4.17Å; V184-P194 CarbonylContact O-C 3.57Å; V184-P194 VanDerWaalsContact O-CA 3.29Å; V184-P194 WeakPolarHBondContact O-CA 3.48Å; V184-P194 WeakPolarHBondContact O-CB 3.49Å; V184-L195 HydrophobicContact CB-CB 4.49Å; V184-L195 HydrophobicContact CG1-CB 4.49Å; V184-L195 HydrophobicContact CG1-CD1 4.45Å; V184-L195 PolarHBondContact O-N 3.45Å; V184-N196 HydrophobicContact CB-CB 4.12Å; V184-N196 HydrophobicContact CG2-CB 3.98Å; V184-N196 PolarHBondContact N-O 2.81Å; V184-L231 HydrophobicContact CG2-CD2 4.35Å |
| 185 | W | 97.4 | Very high | 96 | Very high | 10 Ų | 10 | 48.2 Ų | 48.2 | 4% | 0.038 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117 | 151.3 | -177.6 | -50.6 | 89.7 | 0 | 0 | 0 | 111.2 | W153 G155 I172 V173 T175 C183 C191 K193 P194 | W153-W185 AromaticContact CD1-CH2 3.99Å; W153-W185 AromaticContact CD1-CZ3 3.88Å; W153-W185 AromaticContact CE2-CD2 3.98Å; W153-W185 HydrophobicContact CZ2-CB 4.09Å; W153-W185 AromaticContact CZ2-CD1 3.97Å; W153-W185 HydrophobicContact CZ2-CD2 4.02Å; W153-W185 AromaticContact CZ2-CG 3.76Å; W153-W185 HydrophobicContact CZ2-CG 3.76Å; W153-W185 AromaticContact NE1-CD2 3.49Å; W153-W185 AromaticContact NE1-CE2 3.53Å; W153-W185 AromaticContact NE1-CE3 3.53Å; W153-W185 AromaticContact NE1-CH2 3.68Å; W153-W185 AromaticContact NE1-CZ2 3.65Å; W153-W185 AromaticContact NE1-CZ3 3.61Å; G155-W185 VanDerWaalsContact O-CZ2 3.31Å; G155-W185 WeakPolarHBondContact O-CZ2 3.41Å; I172-W185 VanDerWaalsContact CA-O 3.32Å; I172-W185 WeakPolarHBondContact CA-O 3.47Å; V173-W185 HydrophobicContact CB-CB 4.31Å; V173-W185 PolarHBondContact N-O 2.94Å; V173-W185 PolarHBondContact O-N 2.8Å; T175-W185 PolarHBondContact OG1-NE1 2.99Å; C183-W185 HydrophobicContact CB-CZ2 3.64Å; C183-W185 VanDerWaalsContact CB-NE1 3.32Å; W185-C191 HydrophobicContact CE3-CB 4.07Å; W185-C191 WeakPolarHBondContact CZ3-O 3.31Å; W185-K193 VanDerWaalsContact CZ3-C 3.5Å; W185-P194 HydrophobicContact CD2-CB 4.3Å; W185-P194 HydrophobicContact CE3-CB 4.2Å; W185-P194 HydrophobicContact CH2-CB 4.19Å; W185-P194 HydrophobicContact CH2-CG 4.25Å; W185-P194 HydrophobicContact CZ2-CB 4.27Å; W185-P194 HydrophobicContact CZ3-CB 4.16Å; W185-P194 HydrophobicContact CZ3-CG 4.41Å; W185-P194 VanDerWaalsContact CZ3-N 3.33Å |
| 186 | D | 96 | Very high | 95.7 | Very high | 7 Ų | 7 | 49.8 Ų | 49.8 | 4% | 0.037 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.4 | 113.5 | 172.2 | -173.5 | -22.1 | 0 | 0 | 0 | 108.1 | E171 I172 R188 K189 L195 | E171-D186 WeakPolarHBondContact O-CA 3.15Å; I172-D186 HydrophobicContact CD1-CB 3.94Å; D186-R188 PolarHBondContact O-N 2.92Å; D186-R188 VanDerWaalsContact OD1-CB 3.27Å; D186-R188 WeakPolarHBondContact OD1-CB 3.03Å; D186-R188 WeakPolarHBondContact OD1-CG 3.38Å; D186-R188 IonicContact OD1-CZ 3.05Å; D186-R188 PolarHBondContact OD1-N 3.34Å; D186-R188 VanDerWaalsContact OD1-N 3.09Å; D186-R188 IonicContact OD1-NE 3.99Å; D186-R188 PolarHBondContact OD1-NE 3.32Å; D186-R188 IonicContact OD1-NH2 3.05Å; D186-R188 PolarHBondContact OD1-NH2 3.3Å; D186-R188 IonicContact OD2-CZ 3.71Å; D186-R188 IonicContact OD2-NE 3.72Å; D186-R188 IonicContact OD2-NH2 3Å; D186-R188 PolarHBondContact OD2-NH2 2.82Å; D186-K189 HydrophobicContact CB-CB 4.4Å; D186-K189 HydrophobicContact CB-CD 4.28Å; D186-K189 HydrophobicContact CB-CG 4.13Å; D186-K189 PolarHBondContact O-N 3.1Å; D186-L195 HydrophobicContact CB-CD1 3.74Å; D186-L195 HydrophobicContact CB-CD2 4.11Å; D186-L195 HydrophobicContact CB-CG 3.95Å |
| 187 | L | 96.7 | Very high | 95.5 | Very high | 9 Ų | 9 | 52.5 Ų | 52.5 | 5% | 0.047 | 25% | 0.245 | C | C | . | . | G | 310 helix | trans | -60.8 | -28.2 | -175.7 | -61.2 | -177.7 | 0 | 0 | 0 | 111.9 | V136 N151 W153 E171 V173 K189 E190 | V136-L187 HydrophobicContact CB-CD1 4.46Å; V136-L187 HydrophobicContact CB-CD2 4.48Å; V136-L187 HydrophobicContact CG1-CD1 3.94Å; V136-L187 HydrophobicContact CG2-CD1 4.33Å; V136-L187 HydrophobicContact CG2-CD2 3.93Å; N151-L187 HydrophobicContact CB-CD2 4.29Å; W153-L187 HydrophobicContact CH2-CD2 3.96Å; W153-L187 HydrophobicContact CZ3-CD2 4.05Å; E171-L187 WeakPolarHBondContact O-CG 3.24Å; E171-L187 PolarHBondContact O-N 2.78Å; V173-L187 HydrophobicContact CG2-CD1 4.16Å; V173-L187 HydrophobicContact CG2-CD2 3.78Å; V173-L187 HydrophobicContact CG2-CG 4.03Å; L187-K189 PolarHBondContact O-N 3.02Å; L187-E190 PolarHBondContact O-N 3.13Å |
| 188 | R | 95.6 | Very high | 95.3 | Very high | 161 Ų | 161 | 52.5 Ų | 52.5 | 61% | 0.608 | 25% | 0.245 | S | C | * | . | G | 310 helix | trans | -71.4 | -12.2 | 177.4 | -52.2 | 168.4 | -63.8 | -178.7 | 3.5 | 112.7 | E171 D186 | E171-R188 HydrophobicContact CB-CG 4.24Å; E171-R188 HydrophobicContact CG-CG 4.22Å; D186-R188 PolarHBondContact O-N 2.92Å; D186-R188 VanDerWaalsContact OD1-CB 3.27Å; D186-R188 WeakPolarHBondContact OD1-CB 3.03Å; D186-R188 WeakPolarHBondContact OD1-CG 3.38Å; D186-R188 IonicContact OD1-CZ 3.05Å; D186-R188 PolarHBondContact OD1-N 3.34Å; D186-R188 VanDerWaalsContact OD1-N 3.09Å; D186-R188 IonicContact OD1-NE 3.99Å; D186-R188 PolarHBondContact OD1-NE 3.32Å; D186-R188 IonicContact OD1-NH2 3.05Å; D186-R188 PolarHBondContact OD1-NH2 3.3Å; D186-R188 IonicContact OD2-CZ 3.71Å; D186-R188 IonicContact OD2-NE 3.72Å; D186-R188 IonicContact OD2-NH2 3Å; D186-R188 PolarHBondContact OD2-NH2 2.82Å |
| 189 | K | 94.8 | Very high | 95.1 | Very high | 126 Ų | 126 | 57.2 Ų | 57.2 | 55% | 0.548 | 26% | 0.258 | S | S | . | . | G | 310 helix | trans | -105.5 | 21.1 | 178 | -59.3 | -170.6 | -173.1 | 177 | 0 | 113 | D186 L187 C191 L195 | D186-K189 HydrophobicContact CB-CB 4.4Å; D186-K189 HydrophobicContact CB-CD 4.28Å; D186-K189 HydrophobicContact CB-CG 4.13Å; D186-K189 PolarHBondContact O-N 3.1Å; L187-K189 PolarHBondContact O-N 3.02Å; K189-C191 PolarHBondContact O-N 2.76Å; K189-L195 HydrophobicContact CD-CD2 3.82Å; K189-L195 VanDerWaalsContact NZ-CD2 3.3Å |
| 190 | E | 91.4 | Very high | 94.9 | Very high | 126 Ų | 126 | 57.3 Ų | 57.3 | 59% | 0.589 | 26% | 0.258 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 57.5 | 17.7 | 177.6 | -56.6 | 175.6 | -177.6 | 0 | 0 | 113.8 | L187 K192 | L187-E190 PolarHBondContact O-N 3.13Å; E190-K192 HydrophobicContact CB-CG 4.29Å; E190-K192 PolarHBondContact O-N 3.23Å; E190-K192 WeakPolarHBondContact OE2-CE 3.36Å; E190-K192 IonicContact OE2-NZ 3.79Å; E190-K192 PolarHBondContact OE2-NZ 3.34Å |
| 191 | C | 94 | Very high | 94.8 | Very high | 5 Ų | 5 | 59.9 Ų | 59.9 | 3% | 0.034 | 28% | 0.276 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 49.2 | 25.8 | -179.6 | -57.2 | 0 | 0 | 0 | 0 | 115.7 | W153 W185 K189 K193 | W153-C191 HydrophobicContact CB-CB 4.18Å; W153-C191 HydrophobicContact CD2-CB 3.36Å; W153-C191 HydrophobicContact CE3-CB 3.73Å; W153-C191 HydrophobicContact CG-CB 3.57Å; W153-C191 HydrophobicContact CH2-CB 4.49Å; W153-C191 HydrophobicContact CZ2-CB 4.18Å; W153-C191 HydrophobicContact CZ3-CB 4.29Å; W185-C191 HydrophobicContact CE3-CB 4.07Å; W185-C191 WeakPolarHBondContact CZ3-O 3.31Å; K189-C191 PolarHBondContact O-N 2.76Å; C191-K193 PolarHBondContact O-N 3.47Å |
| 192 | K | 91.3 | Very high | 94.8 | Very high | 165 Ų | 165 | 60.9 Ų | 60.9 | 72% | 0.717 | 28% | 0.284 | S | S | * | . | S | Bend | trans | -64.2 | -25.9 | -179.2 | -71.8 | 179.6 | 177.6 | 158.4 | 0 | 113.8 | E190 | E190-K192 HydrophobicContact CB-CG 4.29Å; E190-K192 PolarHBondContact O-N 3.23Å; E190-K192 WeakPolarHBondContact OE2-CE 3.36Å; E190-K192 IonicContact OE2-NZ 3.79Å; E190-K192 PolarHBondContact OE2-NZ 3.34Å |
| 193 | K | 93.5 | Very high | 94.8 | Very high | 164 Ų | 164 | 61.1 Ų | 61.1 | 71% | 0.713 | 29% | 0.287 | S | S | * | . | S | Bend | trans | -155.2 | 149.5 | 175.8 | 62 | -178.9 | -179.2 | 179.8 | 0 | 109.1 | W185 C191 | W185-K193 VanDerWaalsContact CZ3-C 3.5Å; C191-K193 PolarHBondContact O-N 3.47Å |
| 194 | P | 94.7 | Very high | 94.8 | Very high | 34 Ų | 34 | 60.9 Ų | 60.9 | 22% | 0.221 | 29% | 0.286 | C | S | . | . | trans | -65.4 | 145.5 | 172.6 | 27.8 | -33.5 | 0 | 0 | 0 | 110.1 | C183 V184 W185 N196 I197 | C183-P194 HydrophobicContact CB-CB 4.03Å; V184-P194 CarbonylContact O-C 3.57Å; V184-P194 VanDerWaalsContact O-CA 3.29Å; V184-P194 WeakPolarHBondContact O-CA 3.48Å; V184-P194 WeakPolarHBondContact O-CB 3.49Å; W185-P194 HydrophobicContact CD2-CB 4.3Å; W185-P194 HydrophobicContact CE3-CB 4.2Å; W185-P194 HydrophobicContact CH2-CB 4.19Å; W185-P194 HydrophobicContact CH2-CG 4.25Å; W185-P194 HydrophobicContact CZ2-CB 4.27Å; W185-P194 HydrophobicContact CZ3-CB 4.16Å; W185-P194 HydrophobicContact CZ3-CG 4.41Å; W185-P194 VanDerWaalsContact CZ3-N 3.33Å; P194-N196 VanDerWaalsContact C-N 3.32Å; P194-I197 HydrophobicContact CB-CG1 4.07Å; P194-I197 HydrophobicContact CG-CD1 3.67Å; P194-I197 HydrophobicContact CG-CG1 3.56Å | ||
| 195 | L | 92.7 | Very high | 94.9 | Very high | 50 Ų | 50 | 60.6 Ų | 60.6 | 26% | 0.262 | 28% | 0.284 | S | S | . | . | S | Bend | trans | -62 | -45.1 | 168.4 | -68.5 | -174.7 | 0 | 0 | 0 | 110.7 | I172 V184 D186 K189 | I172-L195 HydrophobicContact CD1-CD1 4.17Å; V184-L195 HydrophobicContact CB-CB 4.49Å; V184-L195 HydrophobicContact CG1-CB 4.49Å; V184-L195 HydrophobicContact CG1-CD1 4.45Å; V184-L195 PolarHBondContact O-N 3.45Å; D186-L195 HydrophobicContact CB-CD1 3.74Å; D186-L195 HydrophobicContact CB-CD2 4.11Å; D186-L195 HydrophobicContact CB-CG 3.95Å; K189-L195 HydrophobicContact CD-CD2 3.82Å; K189-L195 VanDerWaalsContact NZ-CD2 3.3Å |
| 196 | N | 92.3 | Very high | 95 | Very high | 33 Ų | 33 | 60.4 Ų | 60.4 | 18% | 0.176 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -145 | 151.8 | -174.8 | -66.3 | 85.8 | 0 | 0 | 0 | 109.5 | V184 P194 I234 | V184-N196 HydrophobicContact CB-CB 4.12Å; V184-N196 HydrophobicContact CG2-CB 3.98Å; V184-N196 PolarHBondContact N-O 2.81Å; P194-N196 VanDerWaalsContact C-N 3.32Å; N196-I234 HydrophobicContact CB-CB 4.4Å; N196-I234 HydrophobicContact CB-CG2 3.83Å; N196-I234 PolarHBondContact ND2-O 3.02Å |
| 197 | I | 94.1 | Very high | 95.1 | Very high | 57 Ų | 57 | 60.3 Ų | 60.3 | 29% | 0.292 | 28% | 0.283 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.2 | 126.7 | 175.9 | -57.8 | 176.9 | 0 | 0 | 0 | 107.5 | K181 C182 P194 R199 | K181-I197 HydrophobicContact CB-CG2 3.95Å; K181-I197 HydrophobicContact CD-CG2 4.23Å; K181-I197 HydrophobicContact CG-CG2 3.97Å; C182-I197 WeakPolarHBondContact O-CA 3.43Å; P194-I197 HydrophobicContact CB-CG1 4.07Å; P194-I197 HydrophobicContact CG-CD1 3.67Å; P194-I197 HydrophobicContact CG-CG1 3.56Å; I197-R199 HydrophobicContact CG2-CG 4.3Å |
| 198 | I | 94.4 | Very high | 95.2 | Very high | 0 Ų | 0 | 62.8 Ų | 62.8 | 0% | 0 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.1 | 128.3 | 167.8 | -51.7 | 171.4 | 0 | 0 | 0 | 106.6 | K181 C182 I217 W229 I234 | K181-I198 WeakPolarHBondContact CA-O 3.34Å; C182-I198 HydrophobicContact CB-CB 4.14Å; C182-I198 HydrophobicContact CB-CD1 4.48Å; C182-I198 PolarHBondContact N-O 2.82Å; C182-I198 PolarHBondContact O-N 3.02Å; I198-I217 HydrophobicContact CD1-CD1 4.14Å; I198-W229 HydrophobicContact CD1-CB 4.35Å; I198-W229 HydrophobicContact CD1-CD2 4.03Å; I198-W229 HydrophobicContact CD1-CG 3.93Å; I198-W229 HydrophobicContact CG2-CD2 4Å; I198-W229 HydrophobicContact CG2-CE3 3.97Å; I198-W229 HydrophobicContact CG2-CH2 3.53Å; I198-W229 HydrophobicContact CG2-CZ2 3.54Å; I198-W229 HydrophobicContact CG2-CZ3 3.75Å; I198-I234 HydrophobicContact CD1-CD1 3.51Å; I198-I234 HydrophobicContact CD1-CG1 4.48Å; I198-I234 HydrophobicContact CG1-CD1 3.56Å; I198-I234 HydrophobicContact CG1-CG1 4.25Å; I198-I234 HydrophobicContact CG1-CG2 4.26Å |
| 199 | R | 94.1 | Very high | 95.3 | Very high | 162 Ų | 162 | 55.7 Ų | 55.7 | 61% | 0.611 | 27% | 0.269 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -100.2 | 131.9 | 178.6 | -64.8 | -170.7 | 173.7 | -74 | 3.8 | 110 | I197 | I197-R199 HydrophobicContact CG2-CG 4.3Å |
| 200 | H | 94.4 | Very high | 95.2 | Very high | 20 Ų | 20 | 49.9 Ų | 49.9 | 9% | 0.093 | 24% | 0.244 | C | C | . | . | trans | -106.6 | 166.9 | 171.5 | -73.8 | -97.4 | 0 | 0 | 0 | 109.8 | S180 V202 V204 T219 Y227 W229 | S180-H200 PolarHBondContact O-N 2.84Å; H200-V202 VanDerWaalsContact C-N 3.31Å; H200-V202 VanDerWaalsContact CB-O 3.24Å; H200-V202 WeakPolarHBondContact CB-O 3.48Å; H200-V204 HydrophobicContact CB-CG2 4.1Å; H200-V204 WeakPolarHBondContact CD2-CG2 3.29Å; H200-T219 PolarHBondContact CE1-OG1 3.01Å; H200-T219 PolarHBondContact NE2-OG1 3.27Å; H200-Y227 AromaticContact CE1-CD2 3.38Å; H200-Y227 WeakPolarHBondContact CE1-CD2 3.32Å; H200-Y227 AromaticContact CE1-CE2 3.75Å; H200-Y227 AromaticContact CE1-CG 3.97Å; H200-Y227 AromaticContact ND1-CD2 3.63Å; H200-Y227 AromaticContact ND1-CE2 3.48Å; H200-Y227 WeakPolarHBondContact ND1-CE2 3.35Å; H200-W229 AromaticContact CE1-CZ2 3.6Å; H200-W229 AromaticContact NE2-CZ2 3.71Å | ||
| 201 | S | 94.5 | Very high | 95.2 | Very high | 85 Ų | 85 | 46.8 Ų | 46.8 | 59% | 0.594 | 23% | 0.234 | S | C | * | . | S | Bend | trans | -73.4 | -25.2 | 173.6 | 28.7 | 0 | 0 | 0 | 0 | 113.2 | D223 | S201-D223 PolarHBondContact OG-OD2 3.27Š|
| 202 | V | 96.7 | Very high | 94.9 | Very high | 52 Ų | 52 | 52.2 Ų | 52.2 | 32% | 0.315 | 26% | 0.263 | S | S | . | . | S | Bend | trans | -149.1 | -172 | 179.3 | -58.9 | 0 | 0 | 0 | 0 | 109.7 | S180 H200 S221 D223 | S180-V202 WeakPolarHBondContact CA-O 3.36Å; S180-V202 VanDerWaalsContact OG-C 3.31Å; S180-V202 WeakPolarHBondContact OG-CA 3.32Å; H200-V202 VanDerWaalsContact C-N 3.31Å; H200-V202 VanDerWaalsContact CB-O 3.24Å; H200-V202 WeakPolarHBondContact CB-O 3.48Å; V202-S221 WeakPolarHBondContact CG2-OG 3.31Å; V202-S221 PolarHBondContact O-OG 3.08Å; V202-D223 HydrophobicContact CG2-CB 3.64Å |
| 203 | G | 97.9 | Very high | 94.8 | Very high | 5 Ų | 5 | 45.4 Ų | 45.4 | 5% | 0.052 | 24% | 0.235 | C | C | . | . | trans | -51.8 | 145.8 | -176 | 0 | 0 | 0 | 0 | 0 | 115.2 | S177 S221 Y222 | S177-G203 WeakPolarHBondContact O-CA 3.2Å; G203-S221 VanDerWaalsContact O-CA 3.29Å; G203-S221 WeakPolarHBondContact O-CA 3.16Å; G203-S221 WeakPolarHBondContact O-CB 3.45Å; G203-S221 PolarHBondContact O-OG 3.47Å; G203-Y222 PolarHBondContact O-N 2.98Å | ||
| 204 | V | 98.6 | Very high | 94.8 | Very high | 0 Ų | 0 | 41.8 Ų | 41.8 | 0% | 0 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.1 | 109.6 | 174.9 | -177 | 0 | 0 | 0 | 0 | 108.7 | G176 S177 C182 H200 I207 T219 | G176-V204 CarbonylContact C-O 3.53Å; S177-V204 PolarHBondContact N-O 2.92Å; S177-V204 PolarHBondContact O-N 3.38Å; C182-V204 HydrophobicContact CB-CG1 4.36Å; C182-V204 HydrophobicContact CB-CG2 4.33Å; H200-V204 HydrophobicContact CB-CG2 4.1Å; H200-V204 WeakPolarHBondContact CD2-CG2 3.29Å; V204-I207 HydrophobicContact CG1-CD1 4.48Å; V204-I207 HydrophobicContact CG1-CG1 4.13Å; V204-T219 HydrophobicContact CG1-CG2 4.48Å |
| 205 | C | 98.5 | Very high | 94.7 | Very high | 1 Ų | 1 | 44 Ų | 44 | 1% | 0.007 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.6 | -28.2 | -170.1 | -53.2 | 0 | 0 | 0 | 0 | 113.2 | G220 V256 W257 | C205-G220 PolarHBondContact N-O 3.36Å; C205-V256 WeakPolarHBondContact CB-O 3.24Å; C205-W257 HydrophobicContact CB-CE3 3.9Å; C205-W257 HydrophobicContact CB-CZ3 4.4Å |
| 206 | S | 98.5 | Very high | 94.7 | Very high | 6 Ų | 6 | 41.7 Ų | 41.7 | 4% | 0.042 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -148.5 | 149.3 | -179.3 | 51.5 | 0 | 0 | 0 | 0 | 112.5 | T219 G220 V256 W257 H259 | S206-T219 CarbonylContact O-C 3.53Å; S206-T219 VanDerWaalsContact O-CA 3.28Å; S206-T219 WeakPolarHBondContact O-CA 3.22Å; S206-G220 PolarHBondContact N-O 2.98Å; S206-G220 PolarHBondContact O-N 2.84Å; S206-V256 PolarHBondContact OG-O 2.86Å; S206-W257 WeakPolarHBondContact CB-O 3.26Å; S206-H259 WeakPolarHBondContact CB-ND1 3.47Å; S206-H259 PolarHBondContact OG-CE1 2.85Å; S206-H259 PolarHBondContact OG-ND1 2.81Å |
| 207 | I | 98.7 | Very high | 94.9 | Very high | 6 Ų | 6 | 40.2 Ų | 40.2 | 3% | 0.031 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.6 | 138.4 | 174.8 | -57 | 166.3 | 0 | 0 | 0 | 108.2 | C164 F174 V204 I217 S218 T219 | C164-I207 VanDerWaalsContact SG-CG2 3.53Å; F174-I207 HydrophobicContact CB-CD1 4.13Å; F174-I207 HydrophobicContact CB-CG2 3.94Å; F174-I207 HydrophobicContact CG-CG2 4.5Å; V204-I207 HydrophobicContact CG1-CD1 4.48Å; V204-I207 HydrophobicContact CG1-CG1 4.13Å; I207-I217 HydrophobicContact CG2-CD1 4.42Å; I207-S218 WeakPolarHBondContact CA-O 3.41Å; I207-T219 HydrophobicContact CG1-CG2 4.01Å; I207-T219 HydrophobicContact CG2-CG2 4.39Å |
| 208 | Q | 98.1 | Very high | 95.1 | Very high | 60 Ų | 60 | 37.5 Ų | 37.5 | 28% | 0.28 | 19% | 0.194 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.6 | 143.1 | 171.1 | -69 | -69.4 | -51 | 0 | 0 | 110.6 | I217 S218 H259 | Q208-I217 CarbonylContact O-C 3.44Å; Q208-I217 WeakPolarHBondContact O-CA 3.26Å; Q208-S218 PolarHBondContact N-O 3.39Å; Q208-S218 PolarHBondContact O-N 3.43Å; Q208-H259 WeakPolarHBondContact CB-NE2 3.16Å; Q208-H259 WeakPolarHBondContact CG-NE2 3.44Å; Q208-H259 WeakPolarHBondContact CG-O 3.45Å |
| 209 | N | 97.3 | Very high | 95.3 | Very high | 13 Ų | 13 | 37.5 Ų | 37.5 | 7% | 0.07 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -68.1 | 138.7 | 164.2 | -72.2 | -105.6 | 0 | 0 | 0 | 108 | L165 N166 K167 | L165-N209 PolarHBondContact O-ND2 2.81Å; N166-N209 VanDerWaalsContact CA-OD1 3.26Å; N166-N209 WeakPolarHBondContact CA-OD1 3.46Å; K167-N209 HydrophobicContact CG-CB 3.97Å; K167-N209 PolarHBondContact N-OD1 2.89Å |
| 210 | Y | 94.6 | Very high | 95.5 | Very high | 4 Ų | 4 | 29.8 Ų | 29.8 | 2% | 0.016 | 17% | 0.165 | C | C | . | . | trans | -76.1 | 129.4 | 169.6 | -177 | -95.4 | 0 | 0 | 0 | 109.2 | D212 V213 S216 L228 W261 N265 L283 | Y210-D212 VanDerWaalsContact C-N 3.33Å; Y210-D212 HydrophobicContact CE1-CB 3.92Å; Y210-D212 PolarHBondContact O-N 3.39Å; Y210-V213 HydrophobicContact CD1-CB 3.59Å; Y210-V213 HydrophobicContact CD1-CG2 3.9Å; Y210-V213 HydrophobicContact CE1-CB 3.94Å; Y210-V213 HydrophobicContact CE1-CG2 3.67Å; Y210-S216 WeakPolarHBondContact CB-O 3.35Å; Y210-S216 PolarHBondContact N-O 3.03Å; Y210-L228 HydrophobicContact CD2-CD1 4.2Å; Y210-W261 HydrophobicContact CD2-CD2 4.03Å; Y210-W261 AromaticContact CD2-CE2 3.75Å; Y210-W261 HydrophobicContact CD2-CE3 4.22Å; Y210-W261 AromaticContact CD2-CH2 3.92Å; Y210-W261 HydrophobicContact CD2-CH2 3.92Å; Y210-W261 AromaticContact CD2-CZ2 3.71Å; Y210-W261 HydrophobicContact CD2-CZ2 3.71Å; Y210-W261 HydrophobicContact CD2-CZ3 4.16Å; Y210-W261 HydrophobicContact CE2-CD2 4.35Å; Y210-W261 HydrophobicContact CE2-CE3 4.08Å; Y210-W261 AromaticContact CE2-CH2 3.96Å; Y210-W261 HydrophobicContact CE2-CH2 3.96Å; Y210-W261 HydrophobicContact CE2-CZ2 4.24Å; Y210-W261 AromaticContact CE2-CZ3 3.88Å; Y210-W261 HydrophobicContact CE2-CZ3 3.88Å; Y210-N265 PolarHBondContact OH-OD1 3Å; Y210-L283 HydrophobicContact CE1-CD1 3.71Å; Y210-L283 HydrophobicContact CE1-CG 4.33Å; Y210-L283 WeakPolarHBondContact OH-CD1 3.33Å; Y210-L283 WeakPolarHBondContact OH-CG 3.45Å | ||
| 211 | P | 90.3 | Very high | 95.6 | Very high | 61 Ų | 61 | 28.8 Ų | 28.8 | 40% | 0.396 | 16% | 0.161 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -69.2 | -25.3 | -162.9 | 23.7 | -34.4 | 0 | 0 | 0 | 114.8 | W168 W261 | W168-P211 WeakPolarHBondContact CZ2-O 3.23Å; P211-W261 HydrophobicContact CG-CB 3.98Å; P211-W261 HydrophobicContact CG-CG 4.34Å |
| 212 | D | 86.8 | Confident | 95.8 | Very high | 118 Ų | 118 | 29.8 Ų | 29.8 | 63% | 0.631 | 15% | 0.152 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -111.7 | -4.1 | -172.1 | -62.3 | -44.3 | 0 | 0 | 0 | 113.8 | Y210 | Y210-D212 VanDerWaalsContact C-N 3.33Å; Y210-D212 HydrophobicContact CE1-CB 3.92Å; Y210-D212 PolarHBondContact O-N 3.39Å |
| 213 | V | 91.1 | Very high | 95.8 | Very high | 23 Ų | 23 | 28.6 Ų | 28.6 | 14% | 0.139 | 14% | 0.144 | C | C | . | . | trans | -138 | 116.1 | -174.1 | 178.7 | 0 | 0 | 0 | 0 | 110.2 | Y210 Y215 S216 L283 | Y210-V213 HydrophobicContact CD1-CB 3.59Å; Y210-V213 HydrophobicContact CD1-CG2 3.9Å; Y210-V213 HydrophobicContact CE1-CB 3.94Å; Y210-V213 HydrophobicContact CE1-CG2 3.67Å; V213-Y215 VanDerWaalsContact C-N 3.27Å; V213-Y215 HydrophobicContact CG1-CD1 4.01Å; V213-Y215 HydrophobicContact CG1-CD2 3.5Å; V213-Y215 VanDerWaalsContact CG1-CD2 3.5Å; V213-Y215 HydrophobicContact CG1-CE1 3.71Å; V213-Y215 HydrophobicContact CG1-CE2 3.13Å; V213-Y215 HydrophobicContact CG1-CG 3.91Å; V213-Y215 PolarHBondContact O-N 3.23Å; V213-S216 PolarHBondContact O-N 2.86Å; V213-L283 HydrophobicContact CG2-CD1 4.01Å | ||
| 214 | D | 93.2 | Very high | 95.7 | Very high | 88 Ų | 88 | 30.9 Ų | 30.9 | 47% | 0.471 | 16% | 0.155 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -69.1 | -17.9 | -171.3 | 65.8 | -28.3 | 0 | 0 | 0 | 115.6 | W168 | W168-D214 HydrophobicContact CB-CB 3.84Å; W168-D214 VanDerWaalsContact CD1-CA 3.47Å; W168-D214 HydrophobicContact CD2-CB 3.62Å; W168-D214 HydrophobicContact CE3-CB 4.11Å; W168-D214 HydrophobicContact CG-CB 3.5Å |
| 215 | Y | 91.8 | Very high | 95.6 | Very high | 79 Ų | 79 | 31.1 Ų | 31.1 | 31% | 0.31 | 16% | 0.157 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -107.2 | 13.1 | 177.1 | 53.8 | -104.1 | 0 | 0 | 0 | 113.6 | V213 L231 R232 | V213-Y215 VanDerWaalsContact C-N 3.27Å; V213-Y215 HydrophobicContact CG1-CD1 4.01Å; V213-Y215 HydrophobicContact CG1-CD2 3.5Å; V213-Y215 VanDerWaalsContact CG1-CD2 3.5Å; V213-Y215 HydrophobicContact CG1-CE1 3.71Å; V213-Y215 HydrophobicContact CG1-CE2 3.13Å; V213-Y215 HydrophobicContact CG1-CG 3.91Å; V213-Y215 PolarHBondContact O-N 3.23Å; Y215-L231 WeakPolarHBondContact O-CB 3.46Å; Y215-L231 WeakPolarHBondContact O-CG 3.16Å; Y215-L231 PolarHBondContact O-N 3.2Å; Y215-R232 VanDerWaalsContact CD2-CZ 3.43Å; Y215-R232 VanDerWaalsContact CE1-NH1 3.28Å; Y215-R232 HydrophobicContact CG-CG 4.28Å; Y215-R232 VanDerWaalsContact CZ-NH1 3.25Å |
| 216 | S | 93.7 | Very high | 95.5 | Very high | 3 Ų | 3 | 31 Ų | 31 | 2% | 0.021 | 16% | 0.156 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118 | 139.2 | 179.5 | -75.1 | 0 | 0 | 0 | 0 | 112.6 | Y210 V213 W229 | Y210-S216 WeakPolarHBondContact CB-O 3.35Å; Y210-S216 PolarHBondContact N-O 3.03Å; V213-S216 PolarHBondContact O-N 2.86Å; S216-W229 VanDerWaalsContact CA-O 3.3Å; S216-W229 WeakPolarHBondContact CA-O 3.26Å; S216-W229 PolarHBondContact OG-O 3.35Å |
| 217 | I | 96.7 | Very high | 95.4 | Very high | 1 Ų | 1 | 32.2 Ų | 32.2 | 1% | 0.005 | 16% | 0.16 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.4 | 157.2 | 173.7 | 64.1 | 167 | 0 | 0 | 0 | 109.6 | F174 I198 I207 Q208 T219 W229 L231 | F174-I217 HydrophobicContact CD1-CD1 4.26Å; F174-I217 HydrophobicContact CD2-CG2 4.04Å; F174-I217 HydrophobicContact CE1-CG2 4.23Å; F174-I217 HydrophobicContact CE2-CG2 3.56Å; F174-I217 HydrophobicContact CG-CD1 4.46Å; F174-I217 HydrophobicContact CZ-CG2 3.66Å; I198-I217 HydrophobicContact CD1-CD1 4.14Å; I207-I217 HydrophobicContact CG2-CD1 4.42Å; Q208-I217 CarbonylContact O-C 3.44Å; Q208-I217 WeakPolarHBondContact O-CA 3.26Å; I217-T219 HydrophobicContact CD1-CG2 4.36Å; I217-W229 HydrophobicContact CG1-CB 4.05Å; I217-W229 HydrophobicContact CG1-CG 4.48Å; I217-W229 PolarHBondContact N-O 3.03Å; I217-W229 PolarHBondContact O-N 3.33Å; I217-L231 HydrophobicContact CD1-CD2 3.8Å; I217-L231 HydrophobicContact CG1-CD2 3.86Å; I217-L231 HydrophobicContact CG1-CG 4.47Å; I217-L231 HydrophobicContact CG2-CD1 4.16Å; I217-L231 HydrophobicContact CG2-CD2 4.41Å; I217-L231 HydrophobicContact CG2-CG 4.46Å |
| 218 | S | 97.1 | Very high | 95.2 | Very high | 0 Ų | 0 | 31.9 Ų | 31.9 | 0% | 0 | 16% | 0.158 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.1 | 148.9 | 167 | 52.4 | 0 | 0 | 0 | 0 | 111.6 | I207 Q208 Y227 H259 W261 | I207-S218 WeakPolarHBondContact CA-O 3.41Å; Q208-S218 PolarHBondContact N-O 3.39Å; Q208-S218 PolarHBondContact O-N 3.43Å; S218-Y227 CarbonylContact C-O 3.58Å; S218-Y227 WeakPolarHBondContact CA-O 3.13Å; S218-Y227 VanDerWaalsContact CB-O 3.25Å; S218-Y227 WeakPolarHBondContact CB-O 3.32Å; S218-H259 PolarHBondContact OG-CD2 3.13Å; S218-H259 PolarHBondContact OG-NE2 2.94Å; S218-W261 PolarHBondContact OG-NE1 3.08Å |
| 219 | T | 98.3 | Very high | 95 | Very high | 0 Ų | 0 | 29.3 Ų | 29.3 | 0% | 0 | 15% | 0.146 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.4 | 132.5 | 174.8 | 64.1 | 0 | 0 | 0 | 0 | 110.4 | C182 H200 V204 S206 I207 I217 Y227 W229 | C182-T219 HydrophobicContact CB-CG2 4.31Å; H200-T219 PolarHBondContact CE1-OG1 3.01Å; H200-T219 PolarHBondContact NE2-OG1 3.27Å; V204-T219 HydrophobicContact CG1-CG2 4.48Å; S206-T219 CarbonylContact O-C 3.53Å; S206-T219 VanDerWaalsContact O-CA 3.28Å; S206-T219 WeakPolarHBondContact O-CA 3.22Å; I207-T219 HydrophobicContact CG1-CG2 4.01Å; I207-T219 HydrophobicContact CG2-CG2 4.39Å; I217-T219 HydrophobicContact CD1-CG2 4.36Å; T219-Y227 PolarHBondContact N-O 3.47Å; T219-Y227 PolarHBondContact O-N 2.9Å; T219-W229 PolarHBondContact OG1-NE1 2.85Å |
| 220 | G | 98.2 | Very high | 94.7 | Very high | 0 Ų | 0 | 29.4 Ų | 29.4 | 0% | 0 | 15% | 0.146 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.5 | 132.8 | 168.4 | 0 | 0 | 0 | 0 | 0 | 109.5 | C205 S206 V256 | C205-G220 PolarHBondContact N-O 3.36Å; S206-G220 PolarHBondContact N-O 2.98Å; S206-G220 PolarHBondContact O-N 2.84Å; G220-V256 CarbonylContact C-O 3.51Å; G220-V256 VanDerWaalsContact CA-CG1 3.48Å |
| 221 | S | 97.9 | Very high | 94.5 | Very high | 0 Ų | 0 | 30.8 Ų | 30.8 | 0% | 0 | 15% | 0.154 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121 | 158.2 | 178.6 | 178.6 | 0 | 0 | 0 | 0 | 111.2 | V202 G203 D223 D224 T225 V256 | V202-S221 WeakPolarHBondContact CG2-OG 3.31Å; V202-S221 PolarHBondContact O-OG 3.08Å; G203-S221 VanDerWaalsContact O-CA 3.29Å; G203-S221 WeakPolarHBondContact O-CA 3.16Å; G203-S221 WeakPolarHBondContact O-CB 3.45Å; G203-S221 PolarHBondContact O-OG 3.47Å; S221-D223 WeakPolarHBondContact CB-OD1 3.34Å; S221-D223 PolarHBondContact O-N 3.22Å; S221-D223 PolarHBondContact OG-OD1 3.15Å; S221-D224 PolarHBondContact O-N 3.49Å; S221-T225 PolarHBondContact N-O 3.06Å; S221-T225 VanDerWaalsContact N-O 3.08Å; S221-V256 PolarHBondContact O-N 3.33Å |
| 222 | Y | 97.9 | Very high | 94.5 | Very high | 105 Ų | 105 | 34.9 Ų | 34.9 | 41% | 0.412 | 16% | 0.162 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -69.2 | -1.4 | 174.6 | -153.2 | -100.1 | 0 | 0 | 0 | 112.9 | G203 D224 I272 H273 | G203-Y222 PolarHBondContact O-N 2.98Å; Y222-D224 PolarHBondContact O-N 3.12Å; Y222-I272 HydrophobicContact CE2-CG2 4.16Å; Y222-H273 AromaticContact CZ-NE2 3.99Å; Y222-H273 PolarHBondContact OH-NE2 3.25Å; Y222-H273 VanDerWaalsContact OH-NE2 3.14Å |
| 223 | D | 96.8 | Very high | 94.5 | Very high | 28 Ų | 28 | 33.5 Ų | 33.5 | 15% | 0.15 | 15% | 0.152 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -84.7 | 21.1 | 171.7 | 62.5 | 7.7 | 0 | 0 | 0 | 112.2 | S201 V202 S221 T225 Y227 Q251 | S201-D223 PolarHBondContact OG-OD2 3.27Å; V202-D223 HydrophobicContact CG2-CB 3.64Å; S221-D223 WeakPolarHBondContact CB-OD1 3.34Å; S221-D223 PolarHBondContact O-N 3.22Å; S221-D223 PolarHBondContact OG-OD1 3.15Å; D223-T225 PolarHBondContact O-N 3.01Å; D223-T225 VanDerWaalsContact O-N 3.09Å; D223-T225 PolarHBondContact O-OG1 2.74Å; D223-T225 VanDerWaalsContact O-OG1 3.13Å; D223-T225 WeakPolarHBondContact OD1-CA 3.32Å; D223-T225 WeakPolarHBondContact OD1-CB 3.25Å; D223-T225 PolarHBondContact OD1-N 2.85Å; D223-T225 PolarHBondContact OD1-OG1 2.82Å; D223-Y227 WeakPolarHBondContact OD2-CE2 3.14Å; D223-Y227 PolarHBondContact OD2-OH 2.99Å; D223-Q251 PolarHBondContact O-NE2 2.82Å |
| 224 | D | 96.7 | Very high | 94.1 | Very high | 52 Ų | 52 | 32.7 Ų | 32.7 | 28% | 0.278 | 15% | 0.147 | S | C | . | . | S | Bend | trans | 59.1 | 18.3 | -177.3 | -39.8 | -35.3 | 0 | 0 | 0 | 114 | S221 Y222 Q251 F252 G254 G255 | S221-D224 PolarHBondContact O-N 3.49Å; Y222-D224 PolarHBondContact O-N 3.12Å; D224-Q251 PolarHBondContact O-NE2 2.93Å; D224-F252 WeakPolarHBondContact CB-O 3.4Å; D224-F252 WeakPolarHBondContact O-CB 3.24Å; D224-F252 PolarHBondContact O-N 2.84Å; D224-G254 WeakPolarHBondContact CA-O 3.34Å; D224-G254 VanDerWaalsContact OD1-CA 3.25Å; D224-G254 WeakPolarHBondContact OD1-CA 3.33Å; D224-G255 WeakPolarHBondContact OD1-CA 3.17Å; D224-G255 PolarHBondContact OD1-N 2.9Å |
| 225 | T | 96.1 | Very high | 93.1 | Very high | 5 Ų | 5 | 35.1 Ų | 35.1 | 3% | 0.031 | 16% | 0.155 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.1 | 134.1 | -176 | -51.7 | 0 | 0 | 0 | 0 | 112.4 | S221 D223 Y227 K249 Q251 | S221-T225 PolarHBondContact N-O 3.06Å; S221-T225 VanDerWaalsContact N-O 3.08Å; D223-T225 PolarHBondContact O-N 3.01Å; D223-T225 VanDerWaalsContact O-N 3.09Å; D223-T225 PolarHBondContact O-OG1 2.74Å; D223-T225 VanDerWaalsContact O-OG1 3.13Å; D223-T225 WeakPolarHBondContact OD1-CA 3.32Å; D223-T225 WeakPolarHBondContact OD1-CB 3.25Å; D223-T225 PolarHBondContact OD1-N 2.85Å; D223-T225 PolarHBondContact OD1-OG1 2.82Å; T225-Y227 VanDerWaalsContact CB-CE2 3.42Å; T225-Y227 HydrophobicContact CG2-CD1 4.04Å; T225-Y227 HydrophobicContact CG2-CD2 3.92Å; T225-Y227 HydrophobicContact CG2-CE1 3.65Å; T225-Y227 HydrophobicContact CG2-CE2 3.53Å; T225-Y227 HydrophobicContact CG2-CG 4.18Å; T225-K249 HydrophobicContact CG2-CB 3.78Å; T225-Q251 PolarHBondContact OG1-OE1 2.94Å |
| 226 | L | 96.8 | Very high | 91.5 | Very high | 0 Ų | 0 | 35.2 Ų | 35.2 | 0% | 0 | 17% | 0.168 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.2 | 126.4 | 163.5 | -177.5 | 72.8 | 0 | 0 | 0 | 109.2 | K249 C250 F252 V256 H259 V267 V269 L281 | L226-K249 CarbonylContact O-C 3.58Å; L226-K249 VanDerWaalsContact O-CA 3.29Å; L226-K249 WeakPolarHBondContact O-CA 3.5Å; L226-C250 HydrophobicContact CB-CB 4.44Å; L226-C250 PolarHBondContact N-O 2.8Å; L226-C250 PolarHBondContact O-N 2.77Å; L226-F252 HydrophobicContact CB-CD2 4.49Å; L226-F252 HydrophobicContact CB-CE2 3.76Å; L226-V256 HydrophobicContact CB-CG1 4.38Å; L226-V256 HydrophobicContact CB-CG2 4.4Å; L226-V256 HydrophobicContact CD1-CG1 4.03Å; L226-H259 HydrophobicContact CD1-CB 4.31Å; L226-V267 HydrophobicContact CD2-CB 4.41Å; L226-V267 HydrophobicContact CD2-CG1 3.59Å; L226-V267 HydrophobicContact CD2-CG2 4.07Å; L226-V269 HydrophobicContact CD2-CG2 4.38Å; L226-L281 HydrophobicContact CD2-CD1 4.09Å; L226-L281 HydrophobicContact CD2-CD2 4.08Å |
| 227 | Y | 95.2 | Very high | 89.6 | Confident | 30 Ų | 30 | 40.1 Ų | 40.1 | 12% | 0.118 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.7 | 144.6 | -180 | -62.2 | -88.6 | 0 | 0 | 0 | 111.2 | H200 S218 T219 D223 T225 W229 P246 Q248 K249 | H200-Y227 AromaticContact CE1-CD2 3.38Å; H200-Y227 WeakPolarHBondContact CE1-CD2 3.32Å; H200-Y227 AromaticContact CE1-CE2 3.75Å; H200-Y227 AromaticContact CE1-CG 3.97Å; H200-Y227 AromaticContact ND1-CD2 3.63Å; H200-Y227 AromaticContact ND1-CE2 3.48Å; H200-Y227 WeakPolarHBondContact ND1-CE2 3.35Å; S218-Y227 CarbonylContact C-O 3.58Å; S218-Y227 WeakPolarHBondContact CA-O 3.13Å; S218-Y227 VanDerWaalsContact CB-O 3.25Å; S218-Y227 WeakPolarHBondContact CB-O 3.32Å; T219-Y227 PolarHBondContact N-O 3.47Å; T219-Y227 PolarHBondContact O-N 2.9Å; D223-Y227 WeakPolarHBondContact OD2-CE2 3.14Å; D223-Y227 PolarHBondContact OD2-OH 2.99Å; T225-Y227 VanDerWaalsContact CB-CE2 3.42Å; T225-Y227 HydrophobicContact CG2-CD1 4.04Å; T225-Y227 HydrophobicContact CG2-CD2 3.92Å; T225-Y227 HydrophobicContact CG2-CE1 3.65Å; T225-Y227 HydrophobicContact CG2-CE2 3.53Å; T225-Y227 HydrophobicContact CG2-CG 4.18Å; Y227-W229 VanDerWaalsContact CB-CE2 3.45Å; Y227-W229 VanDerWaalsContact CB-CZ2 3.45Å; Y227-W229 VanDerWaalsContact CB-NE1 3.29Å; Y227-W229 HydrophobicContact CD1-CH2 4.24Å; Y227-W229 AromaticContact CD1-CZ2 3.85Å; Y227-W229 HydrophobicContact CD1-CZ2 3.85Å; Y227-W229 HydrophobicContact CD2-CZ2 4.35Å; Y227-W229 HydrophobicContact CG-CH2 4.47Å; Y227-W229 AromaticContact CG-CZ2 3.64Å; Y227-W229 HydrophobicContact CG-CZ2 3.64Å; Y227-P246 HydrophobicContact CD1-CB 3.9Å; Y227-P246 HydrophobicContact CD1-CG 3.81Å; Y227-P246 HydrophobicContact CE1-CG 4.3Å; Y227-Q248 WeakPolarHBondContact CA-O 3.29Å; Y227-K249 HydrophobicContact CD1-CB 4Å; Y227-K249 HydrophobicContact CE1-CB 4.15Å |
| 228 | L | 94.5 | Very high | 87.5 | Confident | 0 Ų | 0 | 49.4 Ų | 49.4 | 0% | 0 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.1 | 131.9 | 169.4 | -177.9 | 66.8 | 0 | 0 | 0 | 109.4 | Y210 P246 L247 Q248 W261 L283 | Y210-L228 HydrophobicContact CD2-CD1 4.2Å; L228-P246 CarbonylContact O-C 3.47Å; L228-L247 HydrophobicContact CD2-CB 4.48Å; L228-L247 HydrophobicContact CD2-CD1 4.47Å; L228-L247 HydrophobicContact CG-CB 4.38Å; L228-L247 HydrophobicContact CG-CD1 4.36Å; L228-L247 WeakPolarHBondContact O-CB 3.4Å; L228-L247 PolarHBondContact O-N 2.66Å; L228-Q248 HydrophobicContact CB-CB 4.15Å; L228-Q248 PolarHBondContact N-O 3.08Å; L228-Q248 PolarHBondContact O-N 3.4Å; L228-W261 HydrophobicContact CD1-CH2 4.43Å; L228-W261 HydrophobicContact CD1-CZ2 4.04Å; L228-L283 HydrophobicContact CD2-CD2 3.87Å |
| 229 | W | 93.4 | Very high | 85.3 | Confident | 6 Ų | 6 | 58.2 Ų | 58.2 | 2% | 0.023 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122 | 148.1 | -172.8 | -53.1 | 96.1 | 0 | 0 | 0 | 112 | I198 H200 S216 I217 T219 Y227 T244 P246 | I198-W229 HydrophobicContact CD1-CB 4.35Å; I198-W229 HydrophobicContact CD1-CD2 4.03Å; I198-W229 HydrophobicContact CD1-CG 3.93Å; I198-W229 HydrophobicContact CG2-CD2 4Å; I198-W229 HydrophobicContact CG2-CE3 3.97Å; I198-W229 HydrophobicContact CG2-CH2 3.53Å; I198-W229 HydrophobicContact CG2-CZ2 3.54Å; I198-W229 HydrophobicContact CG2-CZ3 3.75Å; H200-W229 AromaticContact CE1-CZ2 3.6Å; H200-W229 AromaticContact NE2-CZ2 3.71Å; S216-W229 VanDerWaalsContact CA-O 3.3Å; S216-W229 WeakPolarHBondContact CA-O 3.26Å; S216-W229 PolarHBondContact OG-O 3.35Å; I217-W229 HydrophobicContact CG1-CB 4.05Å; I217-W229 HydrophobicContact CG1-CG 4.48Å; I217-W229 PolarHBondContact N-O 3.03Å; I217-W229 PolarHBondContact O-N 3.33Å; T219-W229 PolarHBondContact OG1-NE1 2.85Å; Y227-W229 VanDerWaalsContact CB-CE2 3.45Å; Y227-W229 VanDerWaalsContact CB-CZ2 3.45Å; Y227-W229 VanDerWaalsContact CB-NE1 3.29Å; Y227-W229 HydrophobicContact CD1-CH2 4.24Å; Y227-W229 AromaticContact CD1-CZ2 3.85Å; Y227-W229 HydrophobicContact CD1-CZ2 3.85Å; Y227-W229 HydrophobicContact CD2-CZ2 4.35Å; Y227-W229 HydrophobicContact CG-CH2 4.47Å; Y227-W229 AromaticContact CG-CZ2 3.64Å; Y227-W229 HydrophobicContact CG-CZ2 3.64Å; W229-T244 HydrophobicContact CE3-CG2 3.83Å; W229-T244 HydrophobicContact CZ3-CG2 3.74Å; W229-T244 WeakPolarHBondContact CZ3-O 3.41Å; W229-P246 HydrophobicContact CD2-CB 4.24Å; W229-P246 HydrophobicContact CE3-CB 3.87Å; W229-P246 HydrophobicContact CH2-CB 3.82Å; W229-P246 HydrophobicContact CH2-CG 4.22Å; W229-P246 HydrophobicContact CZ2-CB 4.18Å; W229-P246 HydrophobicContact CZ3-CB 3.64Å; W229-P246 HydrophobicContact CZ3-CG 4.25Å |
| 230 | D | 91.6 | Very high | 82.9 | Confident | 14 Ų | 14 | 61.4 Ų | 61.4 | 8% | 0.075 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.8 | 113.7 | 162.7 | -169.9 | -40 | 0 | 0 | 0 | 108.2 | R232 M233 L247 | D230-R232 PolarHBondContact O-N 2.95Å; D230-R232 VanDerWaalsContact O-N 3.12Å; D230-R232 WeakPolarHBondContact OD1-CB 3.38Å; D230-R232 WeakPolarHBondContact OD1-CG 3.21Å; D230-R232 IonicContact OD1-CZ 2.72Å; D230-R232 PolarHBondContact OD1-N 2.95Å; D230-R232 IonicContact OD1-NE 3.8Å; D230-R232 PolarHBondContact OD1-NE 2.8Å; D230-R232 IonicContact OD1-NH2 3.21Å; D230-R232 IonicContact OD2-CZ 3.16Å; D230-R232 IonicContact OD2-NE 3.4Å; D230-R232 PolarHBondContact OD2-NE 3.23Å; D230-R232 IonicContact OD2-NH2 2.81Å; D230-R232 PolarHBondContact OD2-NH2 3.27Å; D230-M233 HydrophobicContact CB-CB 4.19Å; D230-M233 HydrophobicContact CB-CG 3.91Å; D230-M233 HydrophobicContact CB-SD 4.01Å; D230-M233 PolarHBondContact O-N 3.04Å; D230-L247 HydrophobicContact CB-CD1 3.87Å; D230-L247 HydrophobicContact CB-CD2 4.01Å; D230-L247 HydrophobicContact CB-CG 3.94Å |
| 231 | L | 91.4 | Very high | 80.6 | Confident | 34 Ų | 34 | 69.9 Ų | 69.9 | 18% | 0.178 | 34% | 0.338 | C | S | . | . | G | 310 helix | trans | -60.6 | -24.1 | -177.6 | -64.9 | 177.1 | 0 | 0 | 0 | 112.7 | F174 V184 Y215 I217 M233 I234 | F174-L231 HydrophobicContact CE1-CD1 3.77Å; F174-L231 HydrophobicContact CE1-CD2 4.11Å; F174-L231 HydrophobicContact CZ-CD1 3.64Å; V184-L231 HydrophobicContact CG2-CD2 4.35Å; Y215-L231 WeakPolarHBondContact O-CB 3.46Å; Y215-L231 WeakPolarHBondContact O-CG 3.16Å; Y215-L231 PolarHBondContact O-N 3.2Å; I217-L231 HydrophobicContact CD1-CD2 3.8Å; I217-L231 HydrophobicContact CG1-CD2 3.86Å; I217-L231 HydrophobicContact CG1-CG 4.47Å; I217-L231 HydrophobicContact CG2-CD1 4.16Å; I217-L231 HydrophobicContact CG2-CD2 4.41Å; I217-L231 HydrophobicContact CG2-CG 4.46Å; L231-M233 VanDerWaalsContact C-N 3.29Å; L231-I234 HydrophobicContact CB-CD1 4.45Å; L231-I234 HydrophobicContact CD2-CD1 3.54Å; L231-I234 PolarHBondContact O-N 3.18Å |
| 232 | R | 88.8 | Confident | 78.4 | Confident | 147 Ų | 147 | 74.2 Ų | 74.2 | 56% | 0.555 | 36% | 0.364 | S | S | * | . | G | 310 helix | trans | -76.1 | -21.2 | 178.6 | -51.3 | 168.2 | -61.7 | -178.8 | 6 | 112.1 | Y215 D230 | Y215-R232 VanDerWaalsContact CD2-CZ 3.43Å; Y215-R232 VanDerWaalsContact CE1-NH1 3.28Å; Y215-R232 HydrophobicContact CG-CG 4.28Å; Y215-R232 VanDerWaalsContact CZ-NH1 3.25Å; D230-R232 PolarHBondContact O-N 2.95Å; D230-R232 VanDerWaalsContact O-N 3.12Å; D230-R232 WeakPolarHBondContact OD1-CB 3.38Å; D230-R232 WeakPolarHBondContact OD1-CG 3.21Å; D230-R232 IonicContact OD1-CZ 2.72Å; D230-R232 PolarHBondContact OD1-N 2.95Å; D230-R232 IonicContact OD1-NE 3.8Å; D230-R232 PolarHBondContact OD1-NE 2.8Å; D230-R232 IonicContact OD1-NH2 3.21Å; D230-R232 IonicContact OD2-CZ 3.16Å; D230-R232 IonicContact OD2-NE 3.4Å; D230-R232 PolarHBondContact OD2-NE 3.23Å; D230-R232 IonicContact OD2-NH2 2.81Å; D230-R232 PolarHBondContact OD2-NH2 3.27Å |
| 233 | M | 86.5 | Confident | 76.8 | Confident | 88 Ų | 88 | 74.7 Ų | 74.7 | 43% | 0.433 | 38% | 0.378 | S | S | . | . | G | 310 helix | trans | -93 | -0.3 | 178.6 | -61.3 | -175.3 | 65.1 | 0 | 0 | 112.7 | D230 L231 H235 L247 | D230-M233 HydrophobicContact CB-CB 4.19Å; D230-M233 HydrophobicContact CB-CG 3.91Å; D230-M233 HydrophobicContact CB-SD 4.01Å; D230-M233 PolarHBondContact O-N 3.04Å; L231-M233 VanDerWaalsContact C-N 3.29Å; M233-H235 PolarHBondContact O-N 3.38Å; M233-L247 HydrophobicContact SD-CD2 4.09Å |
| 234 | I | 84.4 | Confident | 76 | Confident | 7 Ų | 7 | 74.8 Ų | 74.8 | 4% | 0.036 | 38% | 0.38 | C | S | . | . | trans | -82.4 | 101.2 | 176.3 | -51 | 172.4 | 0 | 0 | 0 | 108.4 | N196 I198 L231 T244 | N196-I234 HydrophobicContact CB-CB 4.4Å; N196-I234 HydrophobicContact CB-CG2 3.83Å; N196-I234 PolarHBondContact ND2-O 3.02Å; I198-I234 HydrophobicContact CD1-CD1 3.51Å; I198-I234 HydrophobicContact CD1-CG1 4.48Å; I198-I234 HydrophobicContact CG1-CD1 3.56Å; I198-I234 HydrophobicContact CG1-CG1 4.25Å; I198-I234 HydrophobicContact CG1-CG2 4.26Å; L231-I234 HydrophobicContact CB-CD1 4.45Å; L231-I234 HydrophobicContact CD2-CD1 3.54Å; L231-I234 PolarHBondContact O-N 3.18Å; I234-T244 HydrophobicContact CB-CG2 4.4Å; I234-T244 HydrophobicContact CG1-CG2 3.97Å; I234-T244 HydrophobicContact CG2-CG2 4.32Å | ||
| 235 | H | 71.9 | Confident | 75.5 | Confident | 138 Ų | 138 | 77.4 Ų | 77.4 | 64% | 0.639 | 40% | 0.398 | S | S | * | . | trans | -85 | 117.9 | 175.9 | -60.3 | -57.7 | 0 | 0 | 0 | 110.1 | M233 N237 | M233-H235 PolarHBondContact O-N 3.38Å; H235-N237 PolarHBondContact O-N 2.81Å | ||
| 236 | S | 58.5 | Low | 75.2 | Confident | 82 Ų | 82 | 78.9 Ų | 78.9 | 57% | 0.573 | 41% | 0.407 | S | S | * | . | trans | -75.7 | 18.9 | 179.3 | 53.7 | 0 | 0 | 0 | 0 | 114 | K238 | S236-K238 PolarHBondContact O-N 2.73Š| ||
| 237 | N | 53.3 | Low | 74.8 | Confident | 106 Ų | 106 | 81.1 Ų | 81.1 | 57% | 0.567 | 42% | 0.419 | S | S | * | . | trans | -76.5 | 104.9 | -165.5 | -127.1 | -4.5 | 0 | 0 | 0 | 110.9 | H235 F239 T240 | H235-N237 PolarHBondContact O-N 2.81Å; N237-F239 PolarHBondContact O-N 3.07Å; N237-T240 PolarHBondContact O-N 2.91Å | ||
| 238 | K | 52.6 | Low | 74.5 | Confident | 195 Ų | 195 | 80.9 Ų | 80.9 | 85% | 0.848 | 42% | 0.419 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.5 | -8.3 | 178.9 | -71.9 | -172.6 | 173 | -169.4 | 0 | 115.2 | S236 | S236-K238 PolarHBondContact O-N 2.73Š|
| 239 | F | 50.6 | Low | 74.4 | Confident | 186 Ų | 186 | 88.1 Ų | 88.1 | 82% | 0.816 | 45% | 0.451 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -110.6 | -2.3 | -169.9 | -69 | -75.5 | 0 | 0 | 0 | 114.2 | N237 | N237-F239 PolarHBondContact O-N 3.07Š|
| 240 | T | 47.5 | Very low | 74.3 | Confident | 67 Ų | 67 | 88.2 Ų | 88.2 | 41% | 0.411 | 45% | 0.452 | S | S | . | . | trans | -126.3 | 122.9 | 175.9 | 54.4 | 0 | 0 | 0 | 0 | 108.4 | N237 T242 | N237-T240 PolarHBondContact O-N 2.91Å; T240-T242 WeakPolarHBondContact CB-OG1 3.23Å; T240-T242 PolarHBondContact O-N 2.63Å; T240-T242 PolarHBondContact O-OG1 2.8Å; T240-T242 PolarHBondContact OG1-OG1 2.74Å | ||
| 241 | D | 50.4 | Low | 74.5 | Confident | 177 Ų | 177 | 92.6 Ų | 92.6 | 95% | 0.947 | 47% | 0.472 | S | S | * | . | trans | -63.5 | 24 | 167.5 | -83.3 | -29.6 | 0 | 0 | 0 | 112.5 | T243 | D241-T243 PolarHBondContact O-N 2.85Š| ||
| 242 | T | 52 | Low | 74.5 | Confident | 92 Ų | 92 | 91.2 Ų | 91.2 | 56% | 0.564 | 47% | 0.465 | S | S | * | . | trans | -69.7 | 101.2 | 176.4 | 45.1 | 0 | 0 | 0 | 0 | 108.1 | T240 T244 | T240-T242 WeakPolarHBondContact CB-OG1 3.23Å; T240-T242 PolarHBondContact O-N 2.63Å; T240-T242 PolarHBondContact O-OG1 2.8Å; T240-T242 PolarHBondContact OG1-OG1 2.74Å; T242-T244 PolarHBondContact O-N 2.69Å | ||
| 243 | T | 64.6 | Low | 74.7 | Confident | 115 Ų | 115 | 89.5 Ų | 89.5 | 71% | 0.706 | 47% | 0.467 | S | S | * | . | P | Polyproline II helix | trans | -55.7 | 123.4 | 167.6 | 43.9 | 0 | 0 | 0 | 0 | 109.1 | D241 T245 | D241-T243 PolarHBondContact O-N 2.85Å; T243-T245 PolarHBondContact O-N 2.84Å |
| 244 | T | 79 | Confident | 75.1 | Confident | 29 Ų | 29 | 85.4 Ų | 85.4 | 18% | 0.178 | 45% | 0.447 | C | S | . | . | P | Polyproline II helix | trans | -53 | 124.5 | 171.2 | -55.1 | 0 | 0 | 0 | 0 | 108.1 | W229 I234 T242 | W229-T244 HydrophobicContact CE3-CG2 3.83Å; W229-T244 HydrophobicContact CZ3-CG2 3.74Å; W229-T244 WeakPolarHBondContact CZ3-O 3.41Å; I234-T244 HydrophobicContact CB-CG2 4.4Å; I234-T244 HydrophobicContact CG1-CG2 3.97Å; I234-T244 HydrophobicContact CG2-CG2 4.32Å; T242-T244 PolarHBondContact O-N 2.69Å |
| 245 | T | 86.4 | Confident | 75.6 | Confident | 108 Ų | 108 | 85 Ų | 85 | 66% | 0.663 | 45% | 0.445 | S | S | * | . | P | Polyproline II helix | trans | -88.8 | 124.1 | 179.1 | -56.4 | 0 | 0 | 0 | 0 | 109 | T243 | T243-T245 PolarHBondContact O-N 2.84Š|
| 246 | P | 90.3 | Very high | 76.9 | Confident | 35 Ų | 35 | 78.5 Ų | 78.5 | 23% | 0.227 | 41% | 0.414 | C | S | . | . | P | Polyproline II helix | trans | -66.7 | 150.3 | 175.5 | 30 | -36.4 | 0 | 0 | 0 | 110.4 | Y227 L228 W229 Q248 | Y227-P246 HydrophobicContact CD1-CB 3.9Å; Y227-P246 HydrophobicContact CD1-CG 3.81Å; Y227-P246 HydrophobicContact CE1-CG 4.3Å; L228-P246 CarbonylContact O-C 3.47Å; W229-P246 HydrophobicContact CD2-CB 4.24Å; W229-P246 HydrophobicContact CE3-CB 3.87Å; W229-P246 HydrophobicContact CH2-CB 3.82Å; W229-P246 HydrophobicContact CH2-CG 4.22Å; W229-P246 HydrophobicContact CZ2-CB 4.18Å; W229-P246 HydrophobicContact CZ3-CB 3.64Å; W229-P246 HydrophobicContact CZ3-CG 4.25Å; P246-Q248 VanDerWaalsContact C-N 3.26Å; P246-Q248 PolarHBondContact O-N 3.07Å |
| 247 | L | 88.5 | Confident | 78.8 | Confident | 48 Ų | 48 | 75.2 Ų | 75.2 | 25% | 0.251 | 39% | 0.39 | S | S | . | . | S | Bend | trans | -60.9 | -41.4 | 169.3 | -70.2 | -179.8 | 0 | 0 | 0 | 110.7 | L228 D230 M233 | L228-L247 HydrophobicContact CD2-CB 4.48Å; L228-L247 HydrophobicContact CD2-CD1 4.47Å; L228-L247 HydrophobicContact CG-CB 4.38Å; L228-L247 HydrophobicContact CG-CD1 4.36Å; L228-L247 WeakPolarHBondContact O-CB 3.4Å; L228-L247 PolarHBondContact O-N 2.66Å; D230-L247 HydrophobicContact CB-CD1 3.87Å; D230-L247 HydrophobicContact CB-CD2 4.01Å; D230-L247 HydrophobicContact CB-CG 3.94Å; M233-L247 HydrophobicContact SD-CD2 4.09Å |
| 248 | Q | 89.4 | Confident | 80.9 | Confident | 24 Ų | 24 | 71.7 Ų | 71.7 | 11% | 0.112 | 37% | 0.368 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.2 | 155.2 | 178.4 | -62.8 | -169.9 | -2.6 | 0 | 0 | 111 | Y227 L228 P246 L281 P282 R284 | Y227-Q248 WeakPolarHBondContact CA-O 3.29Å; L228-Q248 HydrophobicContact CB-CB 4.15Å; L228-Q248 PolarHBondContact N-O 3.08Å; L228-Q248 PolarHBondContact O-N 3.4Å; P246-Q248 VanDerWaalsContact C-N 3.26Å; P246-Q248 PolarHBondContact O-N 3.07Å; Q248-L281 HydrophobicContact CB-CD2 4.49Å; Q248-P282 PolarHBondContact NE2-O 3.33Å; Q248-P282 PolarHBondContact OE1-O 2.78Å; Q248-R284 VanDerWaalsContact NE2-CG 3.26Å |
| 249 | K | 90.7 | Very high | 83.1 | Confident | 153 Ų | 153 | 62.5 Ų | 62.5 | 67% | 0.665 | 33% | 0.328 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -133.3 | 146.4 | 168.4 | 61.8 | 176.4 | -174 | 168.8 | 0 | 109.4 | T225 L226 Y227 | T225-K249 HydrophobicContact CG2-CB 3.78Å; L226-K249 CarbonylContact O-C 3.58Å; L226-K249 VanDerWaalsContact O-CA 3.29Å; L226-K249 WeakPolarHBondContact O-CA 3.5Å; Y227-K249 HydrophobicContact CD1-CB 4Å; Y227-K249 HydrophobicContact CE1-CB 4.15Å |
| 250 | C | 93 | Very high | 85.3 | Confident | 8 Ų | 8 | 55.6 Ų | 55.6 | 5% | 0.054 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.4 | 120.3 | 175.5 | -170.8 | 0 | 0 | 0 | 0 | 108.1 | L226 F252 L281 V298 | L226-C250 HydrophobicContact CB-CB 4.44Å; L226-C250 PolarHBondContact N-O 2.8Å; L226-C250 PolarHBondContact O-N 2.77Å; C250-F252 HydrophobicContact CB-CE2 4.12Å; C250-F252 WeakPolarHBondContact O-CD2 3.46Å; C250-F252 WeakPolarHBondContact O-CE2 3.43Å; C250-L281 HydrophobicContact CB-CD1 4.04Å; C250-L281 HydrophobicContact CB-CD2 4.05Å; C250-L281 HydrophobicContact CB-CG 4.19Å; C250-V298 WeakPolarHBondContact SG-CG2 3.4Å |
| 251 | Q | 93.8 | Very high | 87.6 | Confident | 106 Ų | 106 | 53.7 Ų | 53.7 | 50% | 0.495 | 28% | 0.283 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.4 | 139.6 | -178.6 | -168.6 | 68.7 | 54.3 | 0 | 0 | 110.1 | D223 D224 T225 | D223-Q251 PolarHBondContact O-NE2 2.82Å; D224-Q251 PolarHBondContact O-NE2 2.93Å; T225-Q251 PolarHBondContact OG1-OE1 2.94Å |
| 252 | F | 93.4 | Very high | 89.6 | Confident | 5 Ų | 5 | 45.9 Ų | 45.9 | 2% | 0.022 | 24% | 0.244 | C | C | . | . | trans | -121.1 | 174.2 | 168.8 | -61.5 | -97.4 | 0 | 0 | 0 | 108.4 | D224 L226 C250 G254 V256 V269 A271 A277 A279 V298 | D224-F252 WeakPolarHBondContact CB-O 3.4Å; D224-F252 WeakPolarHBondContact O-CB 3.24Å; D224-F252 PolarHBondContact O-N 2.84Å; L226-F252 HydrophobicContact CB-CD2 4.49Å; L226-F252 HydrophobicContact CB-CE2 3.76Å; C250-F252 HydrophobicContact CB-CE2 4.12Å; C250-F252 WeakPolarHBondContact O-CD2 3.46Å; C250-F252 WeakPolarHBondContact O-CE2 3.43Å; F252-G254 VanDerWaalsContact C-N 3.35Å; F252-V256 HydrophobicContact CD2-CG2 3.7Å; F252-V256 HydrophobicContact CE2-CG2 4.26Å; F252-V256 HydrophobicContact CG-CG2 4.3Å; F252-V269 HydrophobicContact CD1-CB 4.48Å; F252-V269 HydrophobicContact CD1-CG1 4.14Å; F252-V269 HydrophobicContact CE1-CB 3.83Å; F252-V269 HydrophobicContact CE1-CG1 3.95Å; F252-V269 HydrophobicContact CE1-CG2 3.96Å; F252-V269 HydrophobicContact CE2-CG1 4.45Å; F252-V269 HydrophobicContact CE2-CG2 4.24Å; F252-V269 HydrophobicContact CG-CG1 4.48Å; F252-V269 HydrophobicContact CZ-CB 3.98Å; F252-V269 HydrophobicContact CZ-CG1 4.13Å; F252-V269 HydrophobicContact CZ-CG2 3.58Å; F252-A271 HydrophobicContact CB-CB 4.28Å; F252-A277 HydrophobicContact CD1-CB 4.08Å; F252-A277 HydrophobicContact CE1-CB 3.87Å; F252-A279 HydrophobicContact CE1-CB 4.34Å; F252-A279 HydrophobicContact CZ-CB 3.79Å; F252-V298 HydrophobicContact CD1-CG1 3.82Å; F252-V298 HydrophobicContact CE1-CG1 3.61Å; F252-V298 HydrophobicContact CE1-CG2 4.22Å; F252-V298 HydrophobicContact CZ-CG1 4.48Å; F252-V298 HydrophobicContact CZ-CG2 4.34Å | ||
| 253 | D | 92 | Very high | 91.4 | Very high | 111 Ų | 111 | 43.7 Ų | 43.7 | 59% | 0.594 | 23% | 0.232 | S | C | * | . | S | Bend | trans | -101 | 23.1 | 177.3 | -58.8 | -43.9 | 0 | 0 | 0 | 111.9 | D274 K300 | D253-D274 HydrophobicContact CB-CB 4.26Å; D253-K300 IonicContact OD2-NZ 2.67Å; D253-K300 PolarHBondContact OD2-NZ 2.83Å |
| 254 | G | 94 | Very high | 92.4 | Very high | 1 Ų | 1 | 43.1 Ų | 43.1 | 1% | 0.01 | 22% | 0.221 | C | C | . | . | S | Bend | trans | -169.5 | 155.1 | 174.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | D224 F252 V256 | D224-G254 WeakPolarHBondContact CA-O 3.34Å; D224-G254 VanDerWaalsContact OD1-CA 3.25Å; D224-G254 WeakPolarHBondContact OD1-CA 3.33Å; F252-G254 VanDerWaalsContact C-N 3.35Å; G254-V256 PolarHBondContact O-N 2.98Å |
| 255 | G | 96.6 | Very high | 92.9 | Very high | 0 Ų | 0 | 43.3 Ų | 43.3 | 0% | 0 | 22% | 0.221 | C | C | . | . | trans | -53.8 | 130.4 | -173.4 | 0 | 0 | 0 | 0 | 0 | 112.7 | D224 W257 A271 I272 | D224-G255 WeakPolarHBondContact OD1-CA 3.17Å; D224-G255 PolarHBondContact OD1-N 2.9Å; G255-W257 VanDerWaalsContact C-N 3.34Å; G255-W257 PolarHBondContact O-N 2.93Å; G255-A271 CarbonylContact O-C 3.57Å; G255-A271 WeakPolarHBondContact O-CA 3.39Å; G255-I272 PolarHBondContact O-N 2.88Å | ||
| 256 | V | 97.9 | Very high | 93.2 | Very high | 0 Ų | 0 | 38.5 Ų | 38.5 | 0% | 0 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -77.7 | 83.9 | -175.3 | -179.7 | 0 | 0 | 0 | 0 | 109.7 | C205 S206 G220 S221 L226 F252 G254 H259 V269 | C205-V256 WeakPolarHBondContact CB-O 3.24Å; S206-V256 PolarHBondContact OG-O 2.86Å; G220-V256 CarbonylContact C-O 3.51Å; G220-V256 VanDerWaalsContact CA-CG1 3.48Å; S221-V256 PolarHBondContact O-N 3.33Å; L226-V256 HydrophobicContact CB-CG1 4.38Å; L226-V256 HydrophobicContact CB-CG2 4.4Å; L226-V256 HydrophobicContact CD1-CG1 4.03Å; F252-V256 HydrophobicContact CD2-CG2 3.7Å; F252-V256 HydrophobicContact CE2-CG2 4.26Å; F252-V256 HydrophobicContact CG-CG2 4.3Å; G254-V256 PolarHBondContact O-N 2.98Å; V256-H259 HydrophobicContact CG1-CB 4.42Å; V256-V269 HydrophobicContact CB-CG1 4.47Å; V256-V269 HydrophobicContact CG1-CG1 3.84Å; V256-V269 HydrophobicContact CG2-CG1 4.29Å |
| 257 | W | 98.1 | Very high | 93.5 | Very high | 14 Ų | 14 | 36.9 Ų | 36.9 | 5% | 0.053 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -74.7 | -42.8 | -171.5 | -171.4 | -107.5 | 0 | 0 | 0 | 113.4 | W161 C205 S206 G255 S270 I272 Y310 | W161-W257 HydrophobicContact CD2-CH2 4.03Å; W161-W257 HydrophobicContact CD2-CZ3 4.43Å; W161-W257 AromaticContact CE3-CH2 3.66Å; W161-W257 HydrophobicContact CE3-CH2 3.66Å; W161-W257 HydrophobicContact CE3-CZ2 4.28Å; W161-W257 HydrophobicContact CE3-CZ3 4.48Å; W161-W257 HydrophobicContact CH2-CH2 4.11Å; W161-W257 HydrophobicContact CZ2-CH2 4.42Å; W161-W257 AromaticContact CZ3-CH2 3.71Å; W161-W257 HydrophobicContact CZ3-CH2 3.71Å; W161-W257 HydrophobicContact CZ3-CZ2 4.32Å; C205-W257 HydrophobicContact CB-CE3 3.9Å; C205-W257 HydrophobicContact CB-CZ3 4.4Å; S206-W257 WeakPolarHBondContact CB-O 3.26Å; G255-W257 VanDerWaalsContact C-N 3.34Å; G255-W257 PolarHBondContact O-N 2.93Å; W257-S270 PolarHBondContact N-O 3.05Å; W257-I272 HydrophobicContact CB-CB 4.11Å; W257-I272 HydrophobicContact CD2-CD1 4.03Å; W257-I272 HydrophobicContact CE3-CD1 3.88Å; W257-I272 HydrophobicContact CG-CD1 4.36Å; W257-I272 HydrophobicContact CZ3-CD1 4.39Å; W257-Y310 AromaticContact CE2-CE1 3.85Å; W257-Y310 HydrophobicContact CZ2-CD1 4.5Å; W257-Y310 AromaticContact CZ2-CE1 3.81Å; W257-Y310 HydrophobicContact CZ2-CE1 3.81Å; W257-Y310 AromaticContact CZ2-CZ 4Å; W257-Y310 AromaticContact NE1-CD1 3.39Å; W257-Y310 AromaticContact NE1-CE1 3.59Å; W257-Y310 AromaticContact NE1-CG 3.82Å |
| 258 | R | 98.2 | Very high | 93.9 | Very high | 32 Ų | 32 | 34.6 Ų | 34.6 | 12% | 0.121 | 17% | 0.168 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.3 | 145.6 | 175.8 | -69.3 | -66.5 | -171.5 | -99.4 | 5.4 | 109.6 | D72 S270 Y310 I312 | D72-R258 IonicContact OD1-NE 2.92Å; D72-R258 IonicContact OD1-NH2 3.51Å; D72-R258 PolarHBondContact OD1-NH2 2.77Å; R258-S270 PolarHBondContact O-N 3.05Å; R258-Y310 WeakPolarHBondContact CG-O 3.39Å; R258-I312 HydrophobicContact CB-CG2 4.08Å |
| 259 | H | 98.2 | Very high | 94.3 | Very high | 2 Ų | 2 | 33.4 Ų | 33.4 | 1% | 0.009 | 16% | 0.163 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -149.2 | 150 | 172.9 | 67.5 | -81.1 | 0 | 0 | 0 | 111 | S206 Q208 S218 L226 V256 V267 I268 V269 | S206-H259 WeakPolarHBondContact CB-ND1 3.47Å; S206-H259 PolarHBondContact OG-CE1 2.85Å; S206-H259 PolarHBondContact OG-ND1 2.81Å; Q208-H259 WeakPolarHBondContact CB-NE2 3.16Å; Q208-H259 WeakPolarHBondContact CG-NE2 3.44Å; Q208-H259 WeakPolarHBondContact CG-O 3.45Å; S218-H259 PolarHBondContact OG-CD2 3.13Å; S218-H259 PolarHBondContact OG-NE2 2.94Å; L226-H259 HydrophobicContact CD1-CB 4.31Å; V256-H259 HydrophobicContact CG1-CB 4.42Å; H259-V267 HydrophobicContact CB-CG2 3.97Å; H259-I268 CarbonylContact C-O 3.5Å; H259-I268 WeakPolarHBondContact CA-O 3.08Å; H259-I268 WeakPolarHBondContact CB-O 3.35Å; H259-V269 HydrophobicContact CB-CG2 3.92Å |
| 260 | K | 97.5 | Very high | 94.7 | Very high | 41 Ų | 41 | 26.1 Ų | 26.1 | 18% | 0.178 | 13% | 0.131 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.3 | 136.1 | 175.6 | -77.5 | -169.3 | 169.5 | -156.3 | 0 | 111.7 | E21 V267 I268 D313 W314 | E21-K260 IonicContact OE1-NZ 2.68Å; E21-K260 PolarHBondContact OE1-NZ 2.74Å; K260-V267 WeakPolarHBondContact O-CA 3.32Å; K260-V267 WeakPolarHBondContact O-CG2 3.23Å; K260-I268 HydrophobicContact CB-CG2 4.03Å; K260-I268 PolarHBondContact N-O 3.28Å; K260-I268 PolarHBondContact O-N 2.65Å; K260-D313 HydrophobicContact CD-CB 4.08Å; K260-D313 WeakPolarHBondContact CD-OD1 3.29Å; K260-D313 IonicContact NZ-OD1 3.3Å; K260-D313 PolarHBondContact NZ-OD1 3.23Å; K260-D313 IonicContact NZ-OD2 3.83Å; K260-D313 PolarHBondContact NZ-OD2 2.68Å; K260-W314 WeakPolarHBondContact O-CZ2 3.42Å |
| 261 | W | 95.8 | Very high | 94.8 | Very high | 27 Ų | 27 | 25.8 Ų | 25.8 | 10% | 0.102 | 13% | 0.128 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -73.6 | 148.8 | 176.8 | -72.8 | 100.5 | 0 | 0 | 0 | 111.3 | Y210 P211 S218 L228 N265 V267 L281 W314 | Y210-W261 HydrophobicContact CD2-CD2 4.03Å; Y210-W261 AromaticContact CD2-CE2 3.75Å; Y210-W261 HydrophobicContact CD2-CE3 4.22Å; Y210-W261 AromaticContact CD2-CH2 3.92Å; Y210-W261 HydrophobicContact CD2-CH2 3.92Å; Y210-W261 AromaticContact CD2-CZ2 3.71Å; Y210-W261 HydrophobicContact CD2-CZ2 3.71Å; Y210-W261 HydrophobicContact CD2-CZ3 4.16Å; Y210-W261 HydrophobicContact CE2-CD2 4.35Å; Y210-W261 HydrophobicContact CE2-CE3 4.08Å; Y210-W261 AromaticContact CE2-CH2 3.96Å; Y210-W261 HydrophobicContact CE2-CH2 3.96Å; Y210-W261 HydrophobicContact CE2-CZ2 4.24Å; Y210-W261 AromaticContact CE2-CZ3 3.88Å; Y210-W261 HydrophobicContact CE2-CZ3 3.88Å; P211-W261 HydrophobicContact CG-CB 3.98Å; P211-W261 HydrophobicContact CG-CG 4.34Å; S218-W261 PolarHBondContact OG-NE1 3.08Å; L228-W261 HydrophobicContact CD1-CH2 4.43Å; L228-W261 HydrophobicContact CD1-CZ2 4.04Å; W261-N265 HydrophobicContact CZ3-CB 4.42Å; W261-V267 HydrophobicContact CD2-CB 4.38Å; W261-V267 HydrophobicContact CD2-CG2 4.46Å; W261-V267 HydrophobicContact CE3-CB 4.06Å; W261-V267 HydrophobicContact CZ3-CB 4.21Å; W261-L281 HydrophobicContact CH2-CB 4.05Å; W261-L281 HydrophobicContact CZ3-CB 4.39Å; W261-W314 PolarHBondContact O-NE1 2.84Å |
| 262 | G | 92.7 | Very high | 95 | Very high | 12 Ų | 12 | 21 Ų | 21 | 12% | 0.124 | 11% | 0.107 | C | C | . | . | trans | -128.8 | -174.5 | 173.7 | 0 | 0 | 0 | 0 | 0 | 109.5 | Y266 W314 | G262-Y266 WeakPolarHBondContact CA-O 3.38Å; G262-Y266 PolarHBondContact N-O 2.92Å; G262-W314 VanDerWaalsContact N-CZ2 3.27Å | ||
| 263 | P | 89 | Confident | 95 | Very high | 46 Ų | 46 | 25.5 Ų | 25.5 | 30% | 0.299 | 13% | 0.127 | S | C | . | . | G | 310 helix | trans | -64.9 | 155.1 | -179.9 | 27.8 | -31.7 | 0 | 0 | 0 | 110.9 | N265 Y266 F316 M328 | P263-N265 VanDerWaalsContact C-N 3.26Å; P263-N265 PolarHBondContact O-N 3.05Å; P263-Y266 WeakPolarHBondContact O-CD2 3.5Å; P263-Y266 PolarHBondContact O-N 2.84Å; P263-F316 HydrophobicContact CG-CD1 4.05Å; P263-F316 HydrophobicContact CG-CE1 3.87Å; P263-F316 HydrophobicContact CG-CZ 4.17Å; P263-M328 HydrophobicContact CG-CE 3.81Å; P263-M328 HydrophobicContact CG-CG 4.18Å; P263-M328 HydrophobicContact CG-SD 3.93Å; P263-M328 WeakPolarHBondContact O-CE 3.27Å |
| 264 | Q | 86.2 | Confident | 95 | Very high | 103 Ų | 103 | 21.4 Ų | 21.4 | 48% | 0.481 | 11% | 0.105 | S | C | . | . | G | 310 helix | trans | 57.2 | 35.7 | 170 | -56.4 | 171.5 | 51.6 | 0 | 0 | 113.8 | Y266 H280 L351 | Q264-Y266 HydrophobicContact CB-CD2 4.21Å; Q264-Y266 HydrophobicContact CB-CE2 4.41Å; Q264-Y266 WeakPolarHBondContact O-CD2 3.38Å; Q264-Y266 PolarHBondContact O-N 3.36Å; Q264-H280 PolarHBondContact O-CD2 2.7Å; Q264-H280 PolarHBondContact O-NE2 2.85Å; Q264-L351 VanDerWaalsContact NE2-CD1 3.32Å |
| 265 | N | 89.4 | Confident | 95.1 | Very high | 34 Ų | 34 | 21.4 Ų | 21.4 | 18% | 0.182 | 11% | 0.105 | C | C | . | . | G | 310 helix | trans | 66.4 | 18 | 177.4 | -42.1 | -57.1 | 0 | 0 | 0 | 115.6 | Y210 W261 P263 L281 | Y210-N265 PolarHBondContact OH-OD1 3Å; W261-N265 HydrophobicContact CZ3-CB 4.42Å; P263-N265 VanDerWaalsContact C-N 3.26Å; P263-N265 PolarHBondContact O-N 3.05Å; N265-L281 WeakPolarHBondContact CB-O 3.32Å; N265-L281 PolarHBondContact O-N 2.92Å |
| 266 | Y | 93.1 | Very high | 95.1 | Very high | 7 Ų | 7 | 21.4 Ų | 21.4 | 3% | 0.027 | 11% | 0.105 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -79.3 | 144.6 | 167.2 | -72.3 | -94.4 | 0 | 0 | 0 | 109.7 | G262 P263 Q264 V278 A279 H280 M328 V349 K350 L351 | G262-Y266 WeakPolarHBondContact CA-O 3.38Å; G262-Y266 PolarHBondContact N-O 2.92Å; P263-Y266 WeakPolarHBondContact O-CD2 3.5Å; P263-Y266 PolarHBondContact O-N 2.84Å; Q264-Y266 HydrophobicContact CB-CD2 4.21Å; Q264-Y266 HydrophobicContact CB-CE2 4.41Å; Q264-Y266 WeakPolarHBondContact O-CD2 3.38Å; Q264-Y266 PolarHBondContact O-N 3.36Å; Y266-V278 HydrophobicContact CD1-CG2 4.01Å; Y266-A279 CarbonylContact C-O 3.56Å; Y266-A279 VanDerWaalsContact CA-O 3.28Å; Y266-A279 WeakPolarHBondContact CA-O 3.19Å; Y266-H280 HydrophobicContact CD1-CB 3.9Å; Y266-H280 HydrophobicContact CE1-CB 3.64Å; Y266-H280 AromaticContact CE2-CD2 3.94Å; Y266-H280 HydrophobicContact CG-CB 4.49Å; Y266-H280 AromaticContact CZ-CG 3.89Å; Y266-M328 HydrophobicContact CD1-CE 4.33Å; Y266-M328 HydrophobicContact CD2-CE 3.16Å; Y266-M328 HydrophobicContact CE2-CE 3.79Å; Y266-M328 HydrophobicContact CG-CE 3.46Å; Y266-M328 VanDerWaalsContact CG-CE 3.46Å; Y266-V349 HydrophobicContact CD1-CG1 4.2Å; Y266-V349 HydrophobicContact CE1-CG1 3.53Å; Y266-K350 PolarHBondContact OH-O 3.39Å; Y266-L351 HydrophobicContact CD2-CD2 4.31Å; Y266-L351 HydrophobicContact CE2-CD2 3.59Å |
| 267 | V | 95.5 | Very high | 95 | Very high | 0 Ų | 0 | 21.5 Ų | 21.5 | 0% | 0 | 11% | 0.106 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.6 | 132.4 | 177.2 | 64 | 0 | 0 | 0 | 0 | 108.3 | L226 H259 K260 W261 V269 V278 A279 L281 | L226-V267 HydrophobicContact CD2-CB 4.41Å; L226-V267 HydrophobicContact CD2-CG1 3.59Å; L226-V267 HydrophobicContact CD2-CG2 4.07Å; H259-V267 HydrophobicContact CB-CG2 3.97Å; K260-V267 WeakPolarHBondContact O-CA 3.32Å; K260-V267 WeakPolarHBondContact O-CG2 3.23Å; W261-V267 HydrophobicContact CD2-CB 4.38Å; W261-V267 HydrophobicContact CD2-CG2 4.46Å; W261-V267 HydrophobicContact CE3-CB 4.06Å; W261-V267 HydrophobicContact CZ3-CB 4.21Å; V267-V269 HydrophobicContact CG1-CG2 4.34Å; V267-V269 HydrophobicContact CG2-CG2 4.29Å; V267-V278 CarbonylContact O-C 3.45Å; V267-V278 WeakPolarHBondContact O-CA 3.4Å; V267-A279 HydrophobicContact CG1-CB 3.88Å; V267-A279 PolarHBondContact N-O 2.84Å; V267-A279 PolarHBondContact O-N 3.42Å; V267-L281 HydrophobicContact CG1-CD1 3.53Å |
| 268 | I | 97.6 | Very high | 94.9 | Very high | 0 Ų | 0 | 20.8 Ų | 20.8 | 0% | 0 | 10% | 0.103 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.7 | 141.7 | 170.9 | -157.5 | 169.9 | 0 | 0 | 0 | 108.7 | H259 K260 F301 I312 W314 V332 | H259-I268 CarbonylContact C-O 3.5Å; H259-I268 WeakPolarHBondContact CA-O 3.08Å; H259-I268 WeakPolarHBondContact CB-O 3.35Å; K260-I268 HydrophobicContact CB-CG2 4.03Å; K260-I268 PolarHBondContact N-O 3.28Å; K260-I268 PolarHBondContact O-N 2.65Å; I268-F301 HydrophobicContact CD1-CE1 4.02Å; I268-F301 HydrophobicContact CD1-CZ 3.77Å; I268-F301 HydrophobicContact CG1-CE1 3.94Å; I268-F301 HydrophobicContact CG1-CZ 4.09Å; I268-I312 HydrophobicContact CB-CG1 4.45Å; I268-I312 HydrophobicContact CD1-CD1 3.82Å; I268-I312 HydrophobicContact CD1-CG1 3.68Å; I268-I312 HydrophobicContact CG1-CD1 4.29Å; I268-I312 HydrophobicContact CG1-CG1 3.71Å; I268-I312 HydrophobicContact CG2-CG1 4.01Å; I268-I312 HydrophobicContact CG2-CG2 4.37Å; I268-W314 HydrophobicContact CB-CD2 3.8Å; I268-W314 HydrophobicContact CB-CE3 3.79Å; I268-W314 HydrophobicContact CB-CG 4.47Å; I268-W314 HydrophobicContact CB-CH2 3.88Å; I268-W314 HydrophobicContact CB-CZ2 3.88Å; I268-W314 HydrophobicContact CB-CZ3 3.84Å; I268-W314 HydrophobicContact CD1-CB 4.29Å; I268-W314 HydrophobicContact CD1-CD2 4.14Å; I268-W314 HydrophobicContact CD1-CE3 3.84Å; I268-W314 HydrophobicContact CD1-CG 4.4Å; I268-W314 HydrophobicContact CD1-CZ3 4.44Å; I268-W314 HydrophobicContact CG1-CE3 4.28Å; I268-W314 HydrophobicContact CG1-CZ3 4.46Å; I268-W314 HydrophobicContact CG2-CD2 3.77Å; I268-W314 HydrophobicContact CG2-CE3 4.29Å; I268-W314 HydrophobicContact CG2-CG 4.01Å; I268-W314 HydrophobicContact CG2-CZ2 4.1Å; I268-V332 HydrophobicContact CD1-CB 4.25Å; I268-V332 HydrophobicContact CD1-CG1 3.51Å; I268-V332 HydrophobicContact CD1-CG2 3.68Å |
| 269 | V | 97.9 | Very high | 94.7 | Very high | 0 Ų | 0 | 19.3 Ų | 19.3 | 0% | 0 | 10% | 0.098 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.5 | 135.8 | -172 | 173.3 | 0 | 0 | 0 | 0 | 109.9 | L226 F252 V256 H259 V267 A271 F276 A277 | L226-V269 HydrophobicContact CD2-CG2 4.38Å; F252-V269 HydrophobicContact CD1-CB 4.48Å; F252-V269 HydrophobicContact CD1-CG1 4.14Å; F252-V269 HydrophobicContact CE1-CB 3.83Å; F252-V269 HydrophobicContact CE1-CG1 3.95Å; F252-V269 HydrophobicContact CE1-CG2 3.96Å; F252-V269 HydrophobicContact CE2-CG1 4.45Å; F252-V269 HydrophobicContact CE2-CG2 4.24Å; F252-V269 HydrophobicContact CG-CG1 4.48Å; F252-V269 HydrophobicContact CZ-CB 3.98Å; F252-V269 HydrophobicContact CZ-CG1 4.13Å; F252-V269 HydrophobicContact CZ-CG2 3.58Å; V256-V269 HydrophobicContact CB-CG1 4.47Å; V256-V269 HydrophobicContact CG1-CG1 3.84Å; V256-V269 HydrophobicContact CG2-CG1 4.29Å; H259-V269 HydrophobicContact CB-CG2 3.92Å; V267-V269 HydrophobicContact CG1-CG2 4.34Å; V267-V269 HydrophobicContact CG2-CG2 4.29Å; V269-A271 HydrophobicContact CG1-CB 4.42Å; V269-F276 WeakPolarHBondContact O-CA 3.3Å; V269-A277 PolarHBondContact N-O 3.24Å; V269-A277 PolarHBondContact O-N 3.15Å |
| 270 | S | 98 | Very high | 94.3 | Very high | 0 Ų | 0 | 21.9 Ų | 21.9 | 0% | 0 | 11% | 0.109 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.9 | 106 | 161 | -165.1 | 0 | 0 | 0 | 0 | 107.7 | W257 R258 F276 A309 Y310 | W257-S270 PolarHBondContact N-O 3.05Å; R258-S270 PolarHBondContact O-N 3.05Å; S270-F276 VanDerWaalsContact OG-CE1 3.29Å; S270-F276 WeakPolarHBondContact OG-CE1 3.37Å; S270-A309 VanDerWaalsContact OG-CB 3.31Å; S270-A309 WeakPolarHBondContact OG-CB 3.38Å; S270-A309 PolarHBondContact OG-O 2.92Å; S270-Y310 PolarHBondContact OG-N 2.97Å; S270-Y310 PolarHBondContact OG-O 2.89Å |
| 271 | A | 96.9 | Very high | 93.8 | Very high | 0 Ų | 0 | 20.1 Ų | 20.1 | 0% | 0 | 10% | 0.102 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.9 | 107.2 | 174.5 | 0 | 0 | 0 | 0 | 0 | 107.4 | F252 G255 V269 H273 D274 G275 | F252-A271 HydrophobicContact CB-CB 4.28Å; G255-A271 CarbonylContact O-C 3.57Å; G255-A271 WeakPolarHBondContact O-CA 3.39Å; V269-A271 HydrophobicContact CG1-CB 4.42Å; A271-H273 PolarHBondContact O-N 3.05Å; A271-D274 HydrophobicContact CB-CB 3.99Å; A271-D274 PolarHBondContact O-N 2.81Å; A271-G275 PolarHBondContact N-O 3.23Å; A271-G275 PolarHBondContact O-N 3.4Å; A271-G275 VanDerWaalsContact O-O 3.12Å |
| 272 | I | 96.1 | Very high | 93 | Very high | 7 Ų | 7 | 20.9 Ų | 20.9 | 4% | 0.036 | 11% | 0.11 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -52.8 | -35.8 | -159.9 | -161.5 | 176.9 | 0 | 0 | 0 | 114 | Y222 G255 W257 L308 A309 Y310 | Y222-I272 HydrophobicContact CE2-CG2 4.16Å; G255-I272 PolarHBondContact O-N 2.88Å; W257-I272 HydrophobicContact CB-CB 4.11Å; W257-I272 HydrophobicContact CD2-CD1 4.03Å; W257-I272 HydrophobicContact CE3-CD1 3.88Å; W257-I272 HydrophobicContact CG-CD1 4.36Å; W257-I272 HydrophobicContact CZ3-CD1 4.39Å; I272-L308 HydrophobicContact CG1-CB 4.04Å; I272-L308 HydrophobicContact CG1-CD2 4.12Å; I272-L308 CarbonylContact O-C 3.52Å; I272-L308 VanDerWaalsContact O-CA 3.27Å; I272-L308 WeakPolarHBondContact O-CA 3.32Å; I272-A309 WeakPolarHBondContact CA-O 3.44Å; I272-A309 PolarHBondContact O-N 2.7Å; I272-Y310 HydrophobicContact CD1-CD2 4.39Å; I272-Y310 HydrophobicContact CD1-CE2 3.8Å; I272-Y310 HydrophobicContact CG1-CD2 4.23Å; I272-Y310 HydrophobicContact CG1-CE2 4.08Å |
| 273 | H | 94.3 | Very high | 91.9 | Very high | 98 Ų | 98 | 23.8 Ų | 23.8 | 45% | 0.454 | 12% | 0.123 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -104.5 | 1.4 | -179.1 | -62 | -51.8 | 0 | 0 | 0 | 114.5 | Y222 A271 L308 | Y222-H273 AromaticContact CZ-NE2 3.99Å; Y222-H273 PolarHBondContact OH-NE2 3.25Å; Y222-H273 VanDerWaalsContact OH-NE2 3.14Å; A271-H273 PolarHBondContact O-N 3.05Å; H273-L308 WeakPolarHBondContact ND1-CD2 3.37Å |
| 274 | D | 92.5 | Very high | 90.9 | Very high | 25 Ų | 25 | 26.6 Ų | 26.6 | 13% | 0.134 | 13% | 0.128 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -130.9 | -1.7 | -170.8 | -172.5 | 49.1 | 0 | 0 | 0 | 113.7 | D253 A271 K300 L303 | D253-D274 HydrophobicContact CB-CB 4.26Å; A271-D274 HydrophobicContact CB-CB 3.99Å; A271-D274 PolarHBondContact O-N 2.81Å; D274-K300 IonicContact OD1-NZ 2.74Å; D274-K300 PolarHBondContact OD1-NZ 3.09Å; D274-K300 WeakPolarHBondContact OD2-CD 3.49Å; D274-K300 WeakPolarHBondContact OD2-CE 3.34Å; D274-K300 IonicContact OD2-NZ 2.72Å; D274-K300 PolarHBondContact OD2-NZ 3.21Å; D274-L303 VanDerWaalsContact O-CD2 3.25Å; D274-L303 WeakPolarHBondContact O-CD2 3.48Å |
| 275 | G | 95.9 | Very high | 89.4 | Confident | 1 Ų | 1 | 24.9 Ų | 24.9 | 1% | 0.01 | 13% | 0.127 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 91.2 | -140.2 | 178.1 | 0 | 0 | 0 | 0 | 0 | 113 | A271 R302 | A271-G275 PolarHBondContact N-O 3.23Å; A271-G275 PolarHBondContact O-N 3.4Å; A271-G275 VanDerWaalsContact O-O 3.12Å; G275-R302 WeakPolarHBondContact CA-O 3.46Å |
| 276 | F | 96.9 | Very high | 87.6 | Confident | 1 Ų | 1 | 26.3 Ų | 26.3 | 0% | 0.004 | 14% | 0.138 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.5 | 132.9 | -171.4 | -52 | -86.9 | 0 | 0 | 0 | 111.2 | V269 S270 F301 R302 T304 A309 G311 I312 | V269-F276 WeakPolarHBondContact O-CA 3.3Å; S270-F276 VanDerWaalsContact OG-CE1 3.29Å; S270-F276 WeakPolarHBondContact OG-CE1 3.37Å; F276-F301 HydrophobicContact CB-CE1 3.92Å; F276-F301 HydrophobicContact CB-CE2 3.91Å; F276-F301 HydrophobicContact CB-CZ 3.47Å; F276-F301 VanDerWaalsContact CB-CZ 3.47Å; F276-F301 PolarHBondContact O-N 3.12Å; F276-R302 HydrophobicContact CB-CB 4.28Å; F276-R302 HydrophobicContact CD2-CB 3.99Å; F276-R302 HydrophobicContact CD2-CG 3.93Å; F276-R302 PolarHBondContact N-O 2.9Å; F276-R302 PolarHBondContact O-N 2.61Å; F276-T304 HydrophobicContact CD2-CG2 4.28Å; F276-T304 HydrophobicContact CE2-CG2 3.54Å; F276-T304 HydrophobicContact CZ-CG2 4.32Å; F276-A309 HydrophobicContact CD1-CB 4.47Å; F276-A309 HydrophobicContact CD2-CB 4.47Å; F276-A309 HydrophobicContact CE1-CB 3.91Å; F276-A309 HydrophobicContact CE2-CB 3.86Å; F276-A309 HydrophobicContact CZ-CB 3.57Å; F276-G311 WeakPolarHBondContact CE1-O 3.47Å; F276-I312 HydrophobicContact CB-CD1 4.43Å; F276-I312 HydrophobicContact CD1-CB 3.94Å; F276-I312 HydrophobicContact CD1-CD1 3.49Å; F276-I312 VanDerWaalsContact CD1-CD1 3.49Å; F276-I312 HydrophobicContact CD1-CG1 3.86Å; F276-I312 HydrophobicContact CE1-CB 4.1Å; F276-I312 HydrophobicContact CE1-CD1 4.06Å; F276-I312 HydrophobicContact CE1-CG1 4.45Å; F276-I312 HydrophobicContact CG-CD1 4.15Å |
| 277 | A | 96 | Very high | 85.5 | Confident | 1 Ų | 1 | 34.8 Ų | 34.8 | 1% | 0.008 | 18% | 0.175 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.7 | 157.6 | -177 | 0 | 0 | 0 | 0 | 0 | 111.1 | F252 V269 V298 Y299 K300 | F252-A277 HydrophobicContact CD1-CB 4.08Å; F252-A277 HydrophobicContact CE1-CB 3.87Å; V269-A277 PolarHBondContact N-O 3.24Å; V269-A277 PolarHBondContact O-N 3.15Å; A277-V298 HydrophobicContact CB-CG1 3.85Å; A277-Y299 CarbonylContact C-O 3.5Å; A277-Y299 VanDerWaalsContact CA-O 3.29Å; A277-Y299 WeakPolarHBondContact CA-O 3.1Å; A277-K300 HydrophobicContact CB-CG 4.29Å |
| 278 | V | 95.4 | Very high | 83.3 | Confident | 0 Ų | 0 | 39.9 Ų | 39.9 | 0% | 0 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.4 | 133.5 | 167.1 | 60 | 0 | 0 | 0 | 0 | 108.6 | Y266 V267 V298 Y299 F301 W314 L347 V349 | Y266-V278 HydrophobicContact CD1-CG2 4.01Å; V267-V278 CarbonylContact O-C 3.45Å; V267-V278 WeakPolarHBondContact O-CA 3.4Å; V278-V298 CarbonylContact O-C 3.49Å; V278-V298 WeakPolarHBondContact O-CA 3.37Å; V278-Y299 HydrophobicContact CG1-CD2 4.1Å; V278-Y299 HydrophobicContact CG1-CG 4.46Å; V278-Y299 PolarHBondContact N-O 2.77Å; V278-Y299 PolarHBondContact O-N 3.08Å; V278-F301 HydrophobicContact CG1-CD1 4.43Å; V278-W314 HydrophobicContact CG2-CH2 3.97Å; V278-W314 HydrophobicContact CG2-CZ3 3.83Å; V278-L347 HydrophobicContact CB-CD2 4.15Å; V278-L347 HydrophobicContact CG1-CD2 4.11Å; V278-V349 HydrophobicContact CG1-CG2 4.01Å |
| 279 | A | 93.5 | Very high | 81 | Confident | 0 Ų | 0 | 48.1 Ų | 48.1 | 0% | 0 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.6 | 153.9 | 176.5 | 0 | 0 | 0 | 0 | 0 | 111.6 | F252 Y266 V267 L281 S297 V298 | F252-A279 HydrophobicContact CE1-CB 4.34Å; F252-A279 HydrophobicContact CZ-CB 3.79Å; Y266-A279 CarbonylContact C-O 3.56Å; Y266-A279 VanDerWaalsContact CA-O 3.28Å; Y266-A279 WeakPolarHBondContact CA-O 3.19Å; V267-A279 HydrophobicContact CG1-CB 3.88Å; V267-A279 PolarHBondContact N-O 2.84Å; V267-A279 PolarHBondContact O-N 3.42Å; A279-L281 HydrophobicContact CB-CD1 3.7Å; A279-S297 CarbonylContact C-O 3.36Å; A279-S297 WeakPolarHBondContact CA-O 3.41Å; A279-V298 HydrophobicContact CB-CG2 4.05Å |
| 280 | H | 90.3 | Very high | 78.3 | Confident | 56 Ų | 56 | 57.4 Ų | 57.4 | 26% | 0.259 | 28% | 0.281 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.7 | 115.2 | 171.7 | -179 | -149.2 | 0 | 0 | 0 | 110.2 | Q264 Y266 P282 S297 | Q264-H280 PolarHBondContact O-CD2 2.7Å; Q264-H280 PolarHBondContact O-NE2 2.85Å; Y266-H280 HydrophobicContact CD1-CB 3.9Å; Y266-H280 HydrophobicContact CE1-CB 3.64Å; Y266-H280 AromaticContact CE2-CD2 3.94Å; Y266-H280 HydrophobicContact CG-CB 4.49Å; Y266-H280 AromaticContact CZ-CG 3.89Å; H280-P282 VanDerWaalsContact C-CD 3.48Å; H280-P282 VanDerWaalsContact O-CD 3.25Å; H280-P282 WeakPolarHBondContact O-CD 3.06Å; H280-S297 PolarHBondContact N-O 2.94Å |
| 281 | L | 87.8 | Confident | 75.7 | Confident | 4 Ų | 4 | 59.6 Ų | 59.6 | 2% | 0.021 | 30% | 0.299 | C | S | . | . | trans | -116.8 | 72.9 | -179 | -76.5 | 84.7 | 0 | 0 | 0 | 110.9 | L226 Q248 C250 W261 N265 V267 A279 L283 | L226-L281 HydrophobicContact CD2-CD1 4.09Å; L226-L281 HydrophobicContact CD2-CD2 4.08Å; Q248-L281 HydrophobicContact CB-CD2 4.49Å; C250-L281 HydrophobicContact CB-CD1 4.04Å; C250-L281 HydrophobicContact CB-CD2 4.05Å; C250-L281 HydrophobicContact CB-CG 4.19Å; W261-L281 HydrophobicContact CH2-CB 4.05Å; W261-L281 HydrophobicContact CZ3-CB 4.39Å; N265-L281 WeakPolarHBondContact CB-O 3.32Å; N265-L281 PolarHBondContact O-N 2.92Å; V267-L281 HydrophobicContact CG1-CD1 3.53Å; A279-L281 HydrophobicContact CB-CD1 3.7Å; L281-L283 PolarHBondContact O-N 3.02Å | ||
| 282 | P | 77.4 | Confident | 73.1 | Confident | 43 Ų | 43 | 68.1 Ų | 68.1 | 28% | 0.279 | 34% | 0.339 | S | S | . | . | trans | -66.1 | 127.8 | -174.3 | 26.3 | -33.5 | 0 | 0 | 0 | 110.9 | Q248 H280 R284 | Q248-P282 PolarHBondContact NE2-O 3.33Å; Q248-P282 PolarHBondContact OE1-O 2.78Å; H280-P282 VanDerWaalsContact C-CD 3.48Å; H280-P282 VanDerWaalsContact O-CD 3.25Å; H280-P282 WeakPolarHBondContact O-CD 3.06Å; P282-R284 PolarHBondContact O-N 3.46Å | ||
| 283 | L | 70.6 | Confident | 70.7 | Confident | 74 Ų | 74 | 75.2 Ų | 75.2 | 39% | 0.387 | 38% | 0.377 | S | S | . | . | trans | -51 | 106.3 | 176.1 | -75.6 | 171.8 | 0 | 0 | 0 | 111.5 | Y210 V213 L228 L281 | Y210-L283 HydrophobicContact CE1-CD1 3.71Å; Y210-L283 HydrophobicContact CE1-CG 4.33Å; Y210-L283 WeakPolarHBondContact OH-CD1 3.33Å; Y210-L283 WeakPolarHBondContact OH-CG 3.45Å; V213-L283 HydrophobicContact CG2-CD1 4.01Å; L228-L283 HydrophobicContact CD2-CD2 3.87Å; L281-L283 PolarHBondContact O-N 3.02Å | ||
| 284 | R | 67.3 | Low | 68.6 | Low | 105 Ų | 105 | 79.1 Ų | 79.1 | 40% | 0.396 | 39% | 0.393 | S | S | . | . | trans | -88.1 | 135.7 | 175 | -72.4 | 175 | -170.5 | -162.1 | 2.7 | 108.3 | Q248 P282 A291 | Q248-R284 VanDerWaalsContact NE2-CG 3.26Å; P282-R284 PolarHBondContact O-N 3.46Å; R284-A291 PolarHBondContact NH1-O 2.84Å | ||
| 285 | S | 54.6 | Low | 66.5 | Low | 66 Ų | 66 | 86 Ų | 86 | 46% | 0.462 | 42% | 0.424 | S | S | . | . | trans | -57.4 | 133 | 167.7 | 175.4 | 0 | 0 | 0 | 0 | 108.9 | F287 N288 | S285-F287 PolarHBondContact O-N 3.05Å; S285-F287 PolarHBondContact OG-N 3.11Å; S285-N288 PolarHBondContact O-N 2.8Å | ||
| 286 | P | 51.3 | Low | 64.6 | Low | 64 Ų | 64 | 91.7 Ų | 91.7 | 42% | 0.416 | 45% | 0.454 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -59 | -16.6 | 179 | 21.1 | -31.1 | 0 | 0 | 0 | 112.9 | H289 | P286-H289 PolarHBondContact O-CE1 2.81Å; P286-H289 VanDerWaalsContact O-CE1 3.22Å; P286-H289 PolarHBondContact O-NE2 3.46Å; P286-H289 VanDerWaalsContact O-NE2 3.13Å |
| 287 | F | 49.2 | Very low | 63.8 | Low | 186 Ų | 186 | 93.9 Ų | 93.9 | 82% | 0.816 | 47% | 0.47 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86.9 | -3.9 | 178.3 | -60.5 | -73.7 | 0 | 0 | 0 | 114.4 | S285 | S285-F287 PolarHBondContact O-N 3.05Å; S285-F287 PolarHBondContact OG-N 3.11Å |
| 288 | N | 49.5 | Very low | 63.6 | Low | 106 Ų | 106 | 95.4 Ų | 95.4 | 57% | 0.567 | 48% | 0.479 | S | S | * | . | trans | -112.8 | 67.5 | -174.4 | -143.7 | 5 | 0 | 0 | 0 | 111.9 | S285 K290 | S285-N288 PolarHBondContact O-N 2.8Å; N288-K290 PolarHBondContact O-N 3.17Å | ||
| 289 | H | 49.4 | Very low | 63.4 | Low | 174 Ų | 174 | 96.9 Ų | 96.9 | 81% | 0.806 | 49% | 0.485 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73.4 | 0.1 | 178.2 | -63.4 | -59.2 | 0 | 0 | 0 | 114.6 | P286 | P286-H289 PolarHBondContact O-CE1 2.81Å; P286-H289 VanDerWaalsContact O-CE1 3.22Å; P286-H289 PolarHBondContact O-NE2 3.46Å; P286-H289 VanDerWaalsContact O-NE2 3.13Å |
| 290 | K | 42.2 | Very low | 63.3 | Low | 194 Ų | 194 | 100 Ų | 100 | 84% | 0.843 | 50% | 0.498 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -98.3 | 6.4 | -169.8 | -77 | -164.9 | 175.7 | -173.9 | 0 | 116.1 | N288 E292 | N288-K290 PolarHBondContact O-N 3.17Å; K290-E292 PolarHBondContact O-N 2.86Å |
| 291 | A | 42.5 | Very low | 63.4 | Low | 47 Ų | 47 | 98.1 Ų | 98.1 | 39% | 0.388 | 49% | 0.489 | S | S | . | . | trans | -84.9 | 97 | 173.6 | 0 | 0 | 0 | 0 | 0 | 109.4 | R284 | R284-A291 PolarHBondContact NH1-O 2.84Š| ||
| 292 | E | 42.5 | Very low | 63.5 | Low | 179 Ų | 179 | 98.8 Ų | 98.8 | 84% | 0.836 | 49% | 0.492 | S | S | * | . | trans | -36.8 | 138.1 | 162.8 | -73.9 | 173.1 | 158.9 | 0 | 0 | 110.3 | K290 K294 | K290-E292 PolarHBondContact O-N 2.86Å; E292-K294 VanDerWaalsContact C-N 3.33Å; E292-K294 PolarHBondContact O-N 2.84Å | ||
| 293 | D | 45.1 | Very low | 64 | Low | 155 Ų | 155 | 101.7 Ų | 101.7 | 83% | 0.829 | 50% | 0.504 | S | S | * | . | trans | -49 | 94.7 | 176.7 | -64.3 | -45.3 | 0 | 0 | 0 | 109.4 | E295 | D293-E295 PolarHBondContact O-N 2.94Å; D293-E295 VanDerWaalsContact O-N 3.09Å | ||
| 294 | K | 50.8 | Low | 64.6 | Low | 181 Ų | 181 | 98.5 Ų | 98.5 | 79% | 0.787 | 49% | 0.488 | S | S | * | . | trans | -60.5 | 119.3 | 174.8 | -90.1 | -172 | 172.8 | -176.9 | 0 | 107.2 | E292 D296 | E292-K294 VanDerWaalsContact C-N 3.33Å; E292-K294 PolarHBondContact O-N 2.84Å; K294-D296 PolarHBondContact O-N 3.26Å | ||
| 295 | E | 48.1 | Very low | 65.4 | Low | 169 Ų | 169 | 99.9 Ų | 99.9 | 79% | 0.79 | 50% | 0.503 | S | S | * | . | S | Bend | trans | -34.5 | 121.6 | 174.7 | -80.7 | 175.4 | 141.7 | 0 | 0 | 112.9 | D293 | D293-E295 PolarHBondContact O-N 2.94Å; D293-E295 VanDerWaalsContact O-N 3.09Å |
| 296 | D | 56 | Low | 66.6 | Low | 121 Ų | 121 | 105.7 Ų | 105.7 | 65% | 0.647 | 52% | 0.523 | S | S | * | . | trans | 47.6 | 80.5 | 168.8 | -57.6 | -24.2 | 0 | 0 | 0 | 114.6 | K294 Y299 | K294-D296 PolarHBondContact O-N 3.26Å; D296-Y299 PolarHBondContact O-OH 3Å | ||
| 297 | S | 81.2 | Confident | 68.6 | Low | 47 Ų | 47 | 105.4 Ų | 105.4 | 33% | 0.329 | 52% | 0.516 | S | S | . | . | trans | -79 | -4.6 | 165.6 | 55.7 | 0 | 0 | 0 | 0 | 113.2 | A279 H280 | A279-S297 CarbonylContact C-O 3.36Å; A279-S297 WeakPolarHBondContact CA-O 3.41Å; H280-S297 PolarHBondContact N-O 2.94Å | ||
| 298 | V | 90.1 | Very high | 70.8 | Confident | 32 Ų | 32 | 97.6 Ų | 97.6 | 19% | 0.194 | 48% | 0.483 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.8 | 128.7 | -177.8 | -176.1 | 0 | 0 | 0 | 0 | 109.8 | C250 F252 A277 V278 A279 | C250-V298 WeakPolarHBondContact SG-CG2 3.4Å; F252-V298 HydrophobicContact CD1-CG1 3.82Å; F252-V298 HydrophobicContact CE1-CG1 3.61Å; F252-V298 HydrophobicContact CE1-CG2 4.22Å; F252-V298 HydrophobicContact CZ-CG1 4.48Å; F252-V298 HydrophobicContact CZ-CG2 4.34Å; A277-V298 HydrophobicContact CB-CG1 3.85Å; V278-V298 CarbonylContact O-C 3.49Å; V278-V298 WeakPolarHBondContact O-CA 3.37Å; A279-V298 HydrophobicContact CB-CG2 4.05Å |
| 299 | Y | 91.5 | Very high | 73 | Confident | 32 Ų | 32 | 92.6 Ų | 92.6 | 13% | 0.125 | 46% | 0.456 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.5 | 104.9 | 179.3 | -54.1 | -67.5 | 0 | 0 | 0 | 109.5 | K2 Y3 A277 V278 D296 | K2-Y299 HydrophobicContact CB-CE1 3.89Å; K2-Y299 HydrophobicContact CD-CE1 3.65Å; K2-Y299 WeakPolarHBondContact CD-OH 3.11Å; K2-Y299 HydrophobicContact CG-CE1 4.44Å; Y3-Y299 AromaticContact CD1-CD1 3.38Å; Y3-Y299 HydrophobicContact CD1-CD1 3.38Å; Y3-Y299 HydrophobicContact CD1-CE1 4.25Å; Y3-Y299 AromaticContact CD1-CG 3.56Å; Y3-Y299 HydrophobicContact CD1-CG 3.56Å; Y3-Y299 AromaticContact CE1-CD1 3.5Å; Y3-Y299 HydrophobicContact CE1-CD1 3.5Å; Y3-Y299 VanDerWaalsContact CE1-CD1 3.5Å; Y3-Y299 AromaticContact CE1-CG 3.89Å; Y3-Y299 HydrophobicContact CE1-CG 3.89Å; Y3-Y299 HydrophobicContact CG-CD1 4.36Å; Y3-Y299 HydrophobicContact CG-CG 4.11Å; A277-Y299 CarbonylContact C-O 3.5Å; A277-Y299 VanDerWaalsContact CA-O 3.29Å; A277-Y299 WeakPolarHBondContact CA-O 3.1Å; V278-Y299 HydrophobicContact CG1-CD2 4.1Å; V278-Y299 HydrophobicContact CG1-CG 4.46Å; V278-Y299 PolarHBondContact N-O 2.77Å; V278-Y299 PolarHBondContact O-N 3.08Å; D296-Y299 PolarHBondContact O-OH 3Å |
| 300 | K | 93 | Very high | 75.2 | Confident | 65 Ų | 65 | 85.9 Ų | 85.9 | 28% | 0.283 | 42% | 0.423 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.6 | 127.9 | 173 | -55.5 | -173.6 | -168.1 | -172.6 | 0 | 109.2 | Y3 D253 D274 A277 L303 | Y3-K300 VanDerWaalsContact CE2-O 3.22Å; Y3-K300 WeakPolarHBondContact CE2-O 3.44Å; Y3-K300 VanDerWaalsContact CZ-O 3.31Å; Y3-K300 PolarHBondContact OH-O 3.49Å; D253-K300 IonicContact OD2-NZ 2.67Å; D253-K300 PolarHBondContact OD2-NZ 2.83Å; D274-K300 IonicContact OD1-NZ 2.74Å; D274-K300 PolarHBondContact OD1-NZ 3.09Å; D274-K300 WeakPolarHBondContact OD2-CD 3.49Å; D274-K300 WeakPolarHBondContact OD2-CE 3.34Å; D274-K300 IonicContact OD2-NZ 2.72Å; D274-K300 PolarHBondContact OD2-NZ 3.21Å; A277-K300 HydrophobicContact CB-CG 4.29Å; K300-L303 HydrophobicContact CD-CD2 4.25Å |
| 301 | F | 91.8 | Very high | 77.8 | Confident | 17 Ų | 17 | 76.7 Ų | 76.7 | 8% | 0.075 | 38% | 0.384 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125 | -16.5 | -173.1 | 71.3 | -100.6 | 0 | 0 | 0 | 113.5 | Y3 W5 I268 F276 V278 I312 V332 L347 | Y3-F301 HydrophobicContact CD2-CB 4.21Å; Y3-F301 HydrophobicContact CE2-CB 3.97Å; W5-F301 HydrophobicContact CB-CB 4.01Å; W5-F301 HydrophobicContact CB-CD2 4.39Å; W5-F301 AromaticContact CD2-CD2 3.64Å; W5-F301 HydrophobicContact CD2-CD2 3.64Å; W5-F301 HydrophobicContact CD2-CE2 4.24Å; W5-F301 AromaticContact CE3-CD2 3.58Å; W5-F301 HydrophobicContact CE3-CD2 3.58Å; W5-F301 AromaticContact CE3-CE2 3.92Å; W5-F301 HydrophobicContact CE3-CE2 3.92Å; W5-F301 HydrophobicContact CG-CB 4.45Å; W5-F301 HydrophobicContact CG-CD2 4.03Å; W5-F301 HydrophobicContact CH2-CD2 4.45Å; W5-F301 HydrophobicContact CH2-CE2 4.09Å; W5-F301 HydrophobicContact CZ2-CE2 4.42Å; W5-F301 HydrophobicContact CZ3-CD2 4.02Å; W5-F301 AromaticContact CZ3-CE2 3.86Å; W5-F301 HydrophobicContact CZ3-CE2 3.86Å; I268-F301 HydrophobicContact CD1-CE1 4.02Å; I268-F301 HydrophobicContact CD1-CZ 3.77Å; I268-F301 HydrophobicContact CG1-CE1 3.94Å; I268-F301 HydrophobicContact CG1-CZ 4.09Å; F276-F301 HydrophobicContact CB-CE1 3.92Å; F276-F301 HydrophobicContact CB-CE2 3.91Å; F276-F301 HydrophobicContact CB-CZ 3.47Å; F276-F301 VanDerWaalsContact CB-CZ 3.47Å; F276-F301 PolarHBondContact O-N 3.12Å; V278-F301 HydrophobicContact CG1-CD1 4.43Å; F301-I312 HydrophobicContact CZ-CD1 4.38Å; F301-V332 HydrophobicContact CE2-CG1 4.18Å; F301-V332 HydrophobicContact CZ-CG1 4.06Å; F301-L347 HydrophobicContact CB-CD1 4Å; F301-L347 HydrophobicContact CD1-CD1 4.15Å; F301-L347 HydrophobicContact CD1-CD2 4.21Å; F301-L347 HydrophobicContact CD2-CD1 4.41Å; F301-L347 HydrophobicContact CE1-CD2 4.19Å; F301-L347 HydrophobicContact CG-CD1 3.93Å |
| 302 | R | 89 | Confident | 80.5 | Confident | 18 Ų | 18 | 74.7 Ų | 74.7 | 7% | 0.068 | 37% | 0.367 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.2 | 120 | 173.3 | 179.6 | -174.5 | -174.7 | -113.5 | -4.5 | 109.5 | G275 F276 S334 T341 E343 | G275-R302 WeakPolarHBondContact CA-O 3.46Å; F276-R302 HydrophobicContact CB-CB 4.28Å; F276-R302 HydrophobicContact CD2-CB 3.99Å; F276-R302 HydrophobicContact CD2-CG 3.93Å; F276-R302 PolarHBondContact N-O 2.9Å; F276-R302 PolarHBondContact O-N 2.61Å; R302-S334 WeakPolarHBondContact CD-OG 3.35Å; R302-S334 PolarHBondContact NH1-OG 2.64Å; R302-T341 PolarHBondContact NH2-OG1 3.06Å; R302-T341 VanDerWaalsContact NH2-OG1 3.13Å; R302-E343 WeakPolarHBondContact CD-OE1 3.49Å; R302-E343 IonicContact CZ-OE2 3.56Å; R302-E343 IonicContact NE-OE1 3.49Å; R302-E343 PolarHBondContact NE-OE1 2.97Å; R302-E343 IonicContact NE-OE2 3.59Å; R302-E343 PolarHBondContact NE-OE2 2.94Å; R302-E343 IonicContact NH2-OE2 2.77Å; R302-E343 PolarHBondContact NH2-OE2 2.98Å |
| 303 | L | 88.2 | Confident | 83.2 | Confident | 104 Ų | 104 | 66.6 Ų | 66.6 | 55% | 0.545 | 33% | 0.329 | S | S | . | . | trans | -94 | 149.6 | 173.3 | -59.4 | 177.7 | 0 | 0 | 0 | 109.6 | D274 K300 | D274-L303 VanDerWaalsContact O-CD2 3.25Å; D274-L303 WeakPolarHBondContact O-CD2 3.48Å; K300-L303 HydrophobicContact CD-CD2 4.25Å | ||
| 304 | T | 82.5 | Confident | 85.6 | Confident | 7 Ų | 7 | 59.8 Ų | 59.8 | 4% | 0.043 | 29% | 0.292 | C | S | . | . | trans | -98.5 | 6.3 | 179.6 | 46.3 | 0 | 0 | 0 | 0 | 113.6 | F276 E306 Q307 A309 | F276-T304 HydrophobicContact CD2-CG2 4.28Å; F276-T304 HydrophobicContact CE2-CG2 3.54Å; F276-T304 HydrophobicContact CZ-CG2 4.32Å; T304-E306 PolarHBondContact O-N 2.83Å; T304-Q307 WeakPolarHBondContact CB-O 3.4Å; T304-Q307 VanDerWaalsContact O-CB 3.28Å; T304-Q307 WeakPolarHBondContact O-CB 3.27Å; T304-Q307 WeakPolarHBondContact O-CG 3.49Å; T304-Q307 PolarHBondContact O-N 2.89Å; T304-Q307 PolarHBondContact OG1-O 2.82Å; T304-A309 HydrophobicContact CG2-CB 3.88Å | ||
| 305 | N | 84.3 | Confident | 87.7 | Confident | 134 Ų | 134 | 52 Ų | 52 | 72% | 0.717 | 26% | 0.26 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 46.2 | 57.2 | -179.8 | -61 | -31.3 | 0 | 0 | 0 | 112.7 | Q307 | N305-Q307 PolarHBondContact O-N 3.09Š|
| 306 | E | 81.2 | Confident | 89.7 | Confident | 188 Ų | 188 | 45.7 Ų | 45.7 | 88% | 0.879 | 23% | 0.23 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 69.8 | 6.2 | -179.4 | -48.4 | 177.9 | 174.4 | 0 | 0 | 115.4 | T304 | T304-E306 PolarHBondContact O-N 2.83Š|
| 307 | Q | 91.8 | Very high | 90.8 | Very high | 57 Ų | 57 | 42 Ų | 42 | 27% | 0.266 | 21% | 0.211 | S | C | . | . | S | Bend | trans | -85.2 | 158.1 | 168 | -45.5 | -58.8 | -52 | 0 | 0 | 111 | T304 N305 A309 S336 D339 | T304-Q307 WeakPolarHBondContact CB-O 3.4Å; T304-Q307 VanDerWaalsContact O-CB 3.28Å; T304-Q307 WeakPolarHBondContact O-CB 3.27Å; T304-Q307 WeakPolarHBondContact O-CG 3.49Å; T304-Q307 PolarHBondContact O-N 2.89Å; T304-Q307 PolarHBondContact OG1-O 2.82Å; N305-Q307 PolarHBondContact O-N 3.09Å; Q307-A309 PolarHBondContact O-N 3.14Å; Q307-S336 WeakPolarHBondContact CB-OG 2.74Å; Q307-D339 HydrophobicContact CG-CB 3.91Å |
| 308 | L | 95.5 | Very high | 90.2 | Very high | 23 Ų | 23 | 46.2 Ų | 46.2 | 12% | 0.12 | 23% | 0.225 | C | C | . | . | trans | -80.9 | 118.4 | -179 | -54.1 | 179.6 | 0 | 0 | 0 | 111.5 | I272 H273 Y310 S336 F337 Y338 | I272-L308 HydrophobicContact CG1-CB 4.04Å; I272-L308 HydrophobicContact CG1-CD2 4.12Å; I272-L308 CarbonylContact O-C 3.52Å; I272-L308 VanDerWaalsContact O-CA 3.27Å; I272-L308 WeakPolarHBondContact O-CA 3.32Å; H273-L308 WeakPolarHBondContact ND1-CD2 3.37Å; L308-Y310 HydrophobicContact CB-CD2 3.61Å; L308-Y310 HydrophobicContact CB-CE2 3.62Å; L308-Y310 HydrophobicContact CD1-CE2 3.74Å; L308-Y310 HydrophobicContact CG-CE2 4.32Å; L308-Y310 PolarHBondContact O-N 2.99Å; L308-S336 CarbonylContact O-C 3.49Å; L308-S336 VanDerWaalsContact O-CA 3.29Å; L308-S336 WeakPolarHBondContact O-CA 3.19Å; L308-S336 PolarHBondContact O-OG 2.89Å; L308-F337 HydrophobicContact CB-CB 4.08Å; L308-F337 PolarHBondContact O-N 3.3Å; L308-Y338 HydrophobicContact CD1-CD2 4.08Å; L308-Y338 HydrophobicContact CD1-CE2 3.46Å; L308-Y338 VanDerWaalsContact CD1-CE2 3.46Å; L308-Y338 HydrophobicContact CG-CD2 3.85Å; L308-Y338 HydrophobicContact CG-CE2 3.68Å | ||
| 309 | A | 96.5 | Very high | 89.2 | Confident | 0 Ų | 0 | 52.9 Ų | 52.9 | 0% | 0 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.5 | 110.8 | 172.5 | 0 | 0 | 0 | 0 | 0 | 109.9 | S270 I272 F276 T304 Q307 | S270-A309 VanDerWaalsContact OG-CB 3.31Å; S270-A309 WeakPolarHBondContact OG-CB 3.38Å; S270-A309 PolarHBondContact OG-O 2.92Å; I272-A309 WeakPolarHBondContact CA-O 3.44Å; I272-A309 PolarHBondContact O-N 2.7Å; F276-A309 HydrophobicContact CD1-CB 4.47Å; F276-A309 HydrophobicContact CD2-CB 4.47Å; F276-A309 HydrophobicContact CE1-CB 3.91Å; F276-A309 HydrophobicContact CE2-CB 3.86Å; F276-A309 HydrophobicContact CZ-CB 3.57Å; T304-A309 HydrophobicContact CG2-CB 3.88Å; Q307-A309 PolarHBondContact O-N 3.14Å |
| 310 | Y | 95.7 | Very high | 88 | Confident | 33 Ų | 33 | 54.1 Ų | 54.1 | 13% | 0.129 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.4 | -69.9 | -168.9 | -107 | -115.1 | 0 | 0 | 0 | 112.2 | D18 W257 R258 S270 I272 L308 C335 F337 | D18-Y310 HydrophobicContact CB-CD1 4.28Å; D18-Y310 WeakPolarHBondContact O-CB 3.25Å; D18-Y310 WeakPolarHBondContact O-CD1 3.32Å; D18-Y310 WeakPolarHBondContact OD1-CD1 3.26Å; D18-Y310 WeakPolarHBondContact OD1-CE1 3.34Å; W257-Y310 AromaticContact CE2-CE1 3.85Å; W257-Y310 HydrophobicContact CZ2-CD1 4.5Å; W257-Y310 AromaticContact CZ2-CE1 3.81Å; W257-Y310 HydrophobicContact CZ2-CE1 3.81Å; W257-Y310 AromaticContact CZ2-CZ 4Å; W257-Y310 AromaticContact NE1-CD1 3.39Å; W257-Y310 AromaticContact NE1-CE1 3.59Å; W257-Y310 AromaticContact NE1-CG 3.82Å; R258-Y310 WeakPolarHBondContact CG-O 3.39Å; S270-Y310 PolarHBondContact OG-N 2.97Å; S270-Y310 PolarHBondContact OG-O 2.89Å; I272-Y310 HydrophobicContact CD1-CD2 4.39Å; I272-Y310 HydrophobicContact CD1-CE2 3.8Å; I272-Y310 HydrophobicContact CG1-CD2 4.23Å; I272-Y310 HydrophobicContact CG1-CE2 4.08Å; L308-Y310 HydrophobicContact CB-CD2 3.61Å; L308-Y310 HydrophobicContact CB-CE2 3.62Å; L308-Y310 HydrophobicContact CD1-CE2 3.74Å; L308-Y310 HydrophobicContact CG-CE2 4.32Å; L308-Y310 PolarHBondContact O-N 2.99Å; Y310-C335 PolarHBondContact N-O 3Å; Y310-C335 VanDerWaalsContact N-O 3.13Å; Y310-F337 HydrophobicContact CD1-CD2 4.36Å; Y310-F337 HydrophobicContact CD2-CB 3.89Å; Y310-F337 HydrophobicContact CE1-CD2 4.24Å; Y310-F337 HydrophobicContact CE2-CB 4.17Å; Y310-F337 HydrophobicContact CE2-CG 4.42Å; Y310-F337 HydrophobicContact CG-CB 4.23Å |
| 311 | G | 97.4 | Very high | 86.7 | Confident | 1 Ų | 1 | 53.1 Ų | 53.1 | 1% | 0.01 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.7 | 140.8 | -177.2 | 0 | 0 | 0 | 0 | 0 | 112.6 | F276 S334 C335 | F276-G311 WeakPolarHBondContact CE1-O 3.47Å; G311-S334 CarbonylContact O-C 3.49Å; G311-S334 WeakPolarHBondContact O-CA 3.31Å; G311-C335 WeakPolarHBondContact CA-SG 3.36Å; G311-C335 PolarHBondContact N-O 3.3Å; G311-C335 PolarHBondContact N-SG 2.94Å; G311-C335 PolarHBondContact O-N 2.82Å |
| 312 | I | 98.4 | Very high | 85.2 | Confident | 5 Ų | 5 | 59.9 Ų | 59.9 | 3% | 0.026 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.2 | 136.2 | 174.1 | -167.8 | 59.8 | 0 | 0 | 0 | 110.4 | R258 I268 F276 F301 V332 V333 | R258-I312 HydrophobicContact CB-CG2 4.08Å; I268-I312 HydrophobicContact CB-CG1 4.45Å; I268-I312 HydrophobicContact CD1-CD1 3.82Å; I268-I312 HydrophobicContact CD1-CG1 3.68Å; I268-I312 HydrophobicContact CG1-CD1 4.29Å; I268-I312 HydrophobicContact CG1-CG1 3.71Å; I268-I312 HydrophobicContact CG2-CG1 4.01Å; I268-I312 HydrophobicContact CG2-CG2 4.37Å; F276-I312 HydrophobicContact CB-CD1 4.43Å; F276-I312 HydrophobicContact CD1-CB 3.94Å; F276-I312 HydrophobicContact CD1-CD1 3.49Å; F276-I312 VanDerWaalsContact CD1-CD1 3.49Å; F276-I312 HydrophobicContact CD1-CG1 3.86Å; F276-I312 HydrophobicContact CE1-CB 4.1Å; F276-I312 HydrophobicContact CE1-CD1 4.06Å; F276-I312 HydrophobicContact CE1-CG1 4.45Å; F276-I312 HydrophobicContact CG-CD1 4.15Å; F301-I312 HydrophobicContact CZ-CD1 4.38Å; I312-V332 HydrophobicContact CD1-CG1 3.38Å; I312-V332 HydrophobicContact CG1-CG1 4.45Å; I312-V333 WeakPolarHBondContact CA-O 3.5Å; I312-V333 WeakPolarHBondContact CD1-O 3.39Å |
| 313 | D | 98.2 | Very high | 83.9 | Confident | 10 Ų | 10 | 65 Ų | 65 | 5% | 0.053 | 32% | 0.317 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -151.1 | 164.1 | 168.9 | -160.2 | 1.1 | 0 | 0 | 0 | 110.9 | E21 F22 K260 V332 V333 | E21-D313 WeakPolarHBondContact CA-OD2 3.23Å; E21-D313 WeakPolarHBondContact CG-OD2 3.29Å; F22-D313 HydrophobicContact CD2-CB 3.98Å; F22-D313 PolarHBondContact N-OD2 2.91Å; K260-D313 HydrophobicContact CD-CB 4.08Å; K260-D313 WeakPolarHBondContact CD-OD1 3.29Å; K260-D313 IonicContact NZ-OD1 3.3Å; K260-D313 PolarHBondContact NZ-OD1 3.23Å; K260-D313 IonicContact NZ-OD2 3.83Å; K260-D313 PolarHBondContact NZ-OD2 2.68Å; D313-V332 CarbonylContact O-C 3.54Å; D313-V332 WeakPolarHBondContact O-CA 3.27Å; D313-V332 WeakPolarHBondContact O-CG1 3.33Å; D313-V333 HydrophobicContact CB-CG1 3.91Å; D313-V333 PolarHBondContact N-O 2.62Å; D313-V333 PolarHBondContact O-N 3.04Å |
| 314 | W | 96.9 | Very high | 82.4 | Confident | 12 Ų | 12 | 70.5 Ų | 70.5 | 5% | 0.045 | 34% | 0.336 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.4 | 146.4 | 177.5 | 57.5 | 1.3 | 0 | 0 | 0 | 112.9 | K260 W261 G262 I268 V278 F316 T331 V332 L347 | K260-W314 WeakPolarHBondContact O-CZ2 3.42Å; W261-W314 PolarHBondContact O-NE1 2.84Å; G262-W314 VanDerWaalsContact N-CZ2 3.27Å; I268-W314 HydrophobicContact CB-CD2 3.8Å; I268-W314 HydrophobicContact CB-CE3 3.79Å; I268-W314 HydrophobicContact CB-CG 4.47Å; I268-W314 HydrophobicContact CB-CH2 3.88Å; I268-W314 HydrophobicContact CB-CZ2 3.88Å; I268-W314 HydrophobicContact CB-CZ3 3.84Å; I268-W314 HydrophobicContact CD1-CB 4.29Å; I268-W314 HydrophobicContact CD1-CD2 4.14Å; I268-W314 HydrophobicContact CD1-CE3 3.84Å; I268-W314 HydrophobicContact CD1-CG 4.4Å; I268-W314 HydrophobicContact CD1-CZ3 4.44Å; I268-W314 HydrophobicContact CG1-CE3 4.28Å; I268-W314 HydrophobicContact CG1-CZ3 4.46Å; I268-W314 HydrophobicContact CG2-CD2 3.77Å; I268-W314 HydrophobicContact CG2-CE3 4.29Å; I268-W314 HydrophobicContact CG2-CG 4.01Å; I268-W314 HydrophobicContact CG2-CZ2 4.1Å; V278-W314 HydrophobicContact CG2-CH2 3.97Å; V278-W314 HydrophobicContact CG2-CZ3 3.83Å; W314-F316 AromaticContact CD1-CE2 3.65Å; W314-F316 AromaticContact CD1-CZ 3.98Å; W314-F316 HydrophobicContact CD2-CE1 4.29Å; W314-F316 AromaticContact CD2-CE2 3.85Å; W314-F316 HydrophobicContact CD2-CE2 3.85Å; W314-F316 AromaticContact CD2-CZ 3.35Å; W314-F316 HydrophobicContact CD2-CZ 3.35Å; W314-F316 AromaticContact CE2-CE2 3.79Å; W314-F316 AromaticContact CE2-CZ 3.47Å; W314-F316 VanDerWaalsContact CE2-CZ 3.47Å; W314-F316 HydrophobicContact CE3-CE1 4.23Å; W314-F316 AromaticContact CE3-CZ 3.66Å; W314-F316 HydrophobicContact CE3-CZ 3.66Å; W314-F316 AromaticContact CG-CE2 3.82Å; W314-F316 HydrophobicContact CG-CE2 3.82Å; W314-F316 AromaticContact CG-CZ 3.76Å; W314-F316 HydrophobicContact CG-CZ 3.76Å; W314-F316 HydrophobicContact CH2-CZ 4.23Å; W314-F316 AromaticContact CZ2-CZ 3.95Å; W314-F316 HydrophobicContact CZ2-CZ 3.95Å; W314-F316 HydrophobicContact CZ3-CZ 4.08Å; W314-F316 AromaticContact NE1-CE2 3.6Å; W314-F316 AromaticContact NE1-CZ 3.79Å; W314-T331 CarbonylContact C-O 3.6Å; W314-T331 WeakPolarHBondContact CA-O 3.34Å; W314-V332 HydrophobicContact CB-CG2 4.13Å; W314-L347 HydrophobicContact CZ3-CD2 4.47Å |
| 315 | S | 94.7 | Very high | 81.7 | Confident | 17 Ų | 17 | 72.3 Ų | 72.3 | 12% | 0.119 | 35% | 0.35 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.6 | 139 | 175.9 | -177.4 | 0 | 0 | 0 | 0 | 110 | G26 S330 T331 | G26-S315 WeakPolarHBondContact CA-OG 3.25Å; S315-S330 WeakPolarHBondContact O-CA 3.26Å; S315-S330 WeakPolarHBondContact O-CB 3.4Å; S315-T331 PolarHBondContact N-O 3.11Å; S315-T331 PolarHBondContact O-N 3.32Å |
| 316 | F | 90.5 | Very high | 81.7 | Confident | 37 Ų | 37 | 71.3 Ų | 71.3 | 16% | 0.162 | 34% | 0.344 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111 | 129.7 | -178.9 | -62.1 | -79.8 | 0 | 0 | 0 | 110.6 | P263 W314 H318 M328 | P263-F316 HydrophobicContact CG-CD1 4.05Å; P263-F316 HydrophobicContact CG-CE1 3.87Å; P263-F316 HydrophobicContact CG-CZ 4.17Å; W314-F316 AromaticContact CD1-CE2 3.65Å; W314-F316 AromaticContact CD1-CZ 3.98Å; W314-F316 HydrophobicContact CD2-CE1 4.29Å; W314-F316 AromaticContact CD2-CE2 3.85Å; W314-F316 HydrophobicContact CD2-CE2 3.85Å; W314-F316 AromaticContact CD2-CZ 3.35Å; W314-F316 HydrophobicContact CD2-CZ 3.35Å; W314-F316 AromaticContact CE2-CE2 3.79Å; W314-F316 AromaticContact CE2-CZ 3.47Å; W314-F316 VanDerWaalsContact CE2-CZ 3.47Å; W314-F316 HydrophobicContact CE3-CE1 4.23Å; W314-F316 AromaticContact CE3-CZ 3.66Å; W314-F316 HydrophobicContact CE3-CZ 3.66Å; W314-F316 AromaticContact CG-CE2 3.82Å; W314-F316 HydrophobicContact CG-CE2 3.82Å; W314-F316 AromaticContact CG-CZ 3.76Å; W314-F316 HydrophobicContact CG-CZ 3.76Å; W314-F316 HydrophobicContact CH2-CZ 4.23Å; W314-F316 AromaticContact CZ2-CZ 3.95Å; W314-F316 HydrophobicContact CZ2-CZ 3.95Å; W314-F316 HydrophobicContact CZ3-CZ 4.08Å; W314-F316 AromaticContact NE1-CE2 3.6Å; W314-F316 AromaticContact NE1-CZ 3.79Å; F316-H318 PolarHBondContact O-N 3.49Å; F316-M328 HydrophobicContact CD1-CG 4.27Å; F316-M328 HydrophobicContact CD1-SD 4.47Å; F316-M328 HydrophobicContact CE1-CG 3.89Å; F316-M328 HydrophobicContact CE1-SD 3.55Å; F316-M328 VanDerWaalsContact CE1-SD 3.55Å; F316-M328 HydrophobicContact CZ-SD 4.24Å |
| 317 | N | 78 | Confident | 81.9 | Confident | 44 Ų | 44 | 66.5 Ų | 66.5 | 24% | 0.235 | 32% | 0.32 | C | S | . | . | trans | -80.2 | 103 | 166.2 | -173 | -31.4 | 0 | 0 | 0 | 109.6 | Y57 K319 I320 N321 | Y57-N317 PolarHBondContact OH-ND2 2.95Å; N317-K319 PolarHBondContact O-N 2.88Å; N317-K319 WeakPolarHBondContact OD1-CA 3.28Å; N317-K319 WeakPolarHBondContact OD1-CB 3.27Å; N317-K319 PolarHBondContact OD1-N 3.2Å; N317-I320 HydrophobicContact CB-CB 4.12Å; N317-I320 HydrophobicContact CB-CD1 3.9Å; N317-I320 HydrophobicContact CB-CG1 4.05Å; N317-I320 WeakPolarHBondContact ND2-CD1 3.34Å; N317-I320 PolarHBondContact O-N 3.07Å; N317-I320 VanDerWaalsContact O-N 3.12Å; N317-I320 PolarHBondContact OD1-N 3.28Å; N317-N321 PolarHBondContact O-N 2.54Å | ||
| 318 | H | 69.6 | Low | 81.7 | Confident | 135 Ų | 135 | 63.9 Ų | 63.9 | 63% | 0.625 | 31% | 0.308 | S | S | * | . | H | α-helix | trans | -57.3 | -33.5 | 178.4 | -64.9 | -63.3 | 0 | 0 | 0 | 113.3 | F316 Q322 | F316-H318 PolarHBondContact O-N 3.49Å; H318-Q322 VanDerWaalsContact O-CB 3.27Å; H318-Q322 WeakPolarHBondContact O-CB 3.28Å; H318-Q322 WeakPolarHBondContact O-CG 3.5Å; H318-Q322 PolarHBondContact O-N 3.4Å; H318-Q322 VanDerWaalsContact O-N 3.08Å |
| 319 | K | 68.4 | Low | 81.5 | Confident | 171 Ų | 171 | 65.9 Ų | 65.9 | 74% | 0.743 | 32% | 0.316 | S | S | * | . | H | α-helix | trans | -67.3 | -39.9 | 178 | -64.1 | -179.9 | 178.7 | 175 | 0 | 111.7 | N317 | N317-K319 PolarHBondContact O-N 2.88Å; N317-K319 WeakPolarHBondContact OD1-CA 3.28Å; N317-K319 WeakPolarHBondContact OD1-CB 3.27Å; N317-K319 PolarHBondContact OD1-N 3.2Å |
| 320 | I | 65.9 | Low | 81.4 | Confident | 59 Ų | 59 | 66 Ų | 66 | 30% | 0.303 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -72 | -45.8 | -180 | -64.3 | 176 | 0 | 0 | 0 | 110.2 | N317 Q322 L323 K329 | N317-I320 HydrophobicContact CB-CB 4.12Å; N317-I320 HydrophobicContact CB-CD1 3.9Å; N317-I320 HydrophobicContact CB-CG1 4.05Å; N317-I320 WeakPolarHBondContact ND2-CD1 3.34Å; N317-I320 PolarHBondContact O-N 3.07Å; N317-I320 VanDerWaalsContact O-N 3.12Å; N317-I320 PolarHBondContact OD1-N 3.28Å; I320-Q322 VanDerWaalsContact C-N 3.31Å; I320-Q322 PolarHBondContact O-N 2.91Å; I320-L323 PolarHBondContact O-N 3.38Å; I320-K329 HydrophobicContact CG2-CB 4.46Å |
| 321 | N | 65.9 | Low | 81.4 | Confident | 44 Ų | 44 | 65.1 Ų | 65.1 | 24% | 0.235 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -77.3 | -11.6 | -175.6 | -68.6 | -35.1 | 0 | 0 | 0 | 113.9 | N317 K329 | N317-N321 PolarHBondContact O-N 2.54Å; N321-K329 PolarHBondContact ND2-O 3.02Å; N321-K329 PolarHBondContact OD1-N 2.89Å; N321-K329 PolarHBondContact OD1-O 3.17Å |
| 322 | Q | 61.5 | Low | 81.4 | Confident | 158 Ų | 158 | 65 Ų | 65 | 74% | 0.738 | 31% | 0.314 | S | S | * | . | H | α-helix | trans | -81.5 | -26.5 | 173.3 | -83.4 | 176.7 | 16 | 0 | 0 | 113.9 | H318 I320 K324 | H318-Q322 VanDerWaalsContact O-CB 3.27Å; H318-Q322 WeakPolarHBondContact O-CB 3.28Å; H318-Q322 WeakPolarHBondContact O-CG 3.5Å; H318-Q322 PolarHBondContact O-N 3.4Å; H318-Q322 VanDerWaalsContact O-N 3.08Å; I320-Q322 VanDerWaalsContact C-N 3.31Å; I320-Q322 PolarHBondContact O-N 2.91Å; Q322-K324 PolarHBondContact O-N 3.22Å |
| 323 | L | 60.8 | Low | 81.3 | Confident | 126 Ų | 126 | 64.9 Ų | 64.9 | 66% | 0.66 | 31% | 0.313 | S | S | * | . | S | Bend | trans | -63.8 | 129.9 | 169.1 | -72.1 | 158.1 | 0 | 0 | 0 | 106.4 | I320 S325 | I320-L323 PolarHBondContact O-N 3.38Å; L323-S325 VanDerWaalsContact O-CB 3.24Å; L323-S325 WeakPolarHBondContact O-CB 3.29Å; L323-S325 PolarHBondContact O-N 3.08Å |
| 324 | K | 57.5 | Low | 81.3 | Confident | 219 Ų | 219 | 64.4 Ų | 64.4 | 95% | 0.952 | 31% | 0.311 | S | S | * | . | trans | -55.1 | 84 | 176.7 | -78.8 | -174.8 | 176.2 | -177.8 | 0 | 110 | Q322 | Q322-K324 PolarHBondContact O-N 3.22Š| ||
| 325 | S | 66.6 | Low | 81.4 | Confident | 46 Ų | 46 | 63.8 Ų | 63.8 | 32% | 0.322 | 31% | 0.309 | S | S | . | . | trans | -110.3 | 127.5 | -175.5 | 162.6 | 0 | 0 | 0 | 0 | 104.8 | L323 F327 | L323-S325 VanDerWaalsContact O-CB 3.24Å; L323-S325 WeakPolarHBondContact O-CB 3.29Å; L323-S325 PolarHBondContact O-N 3.08Å; S325-F327 PolarHBondContact O-N 3.23Å; S325-F327 PolarHBondContact OG-N 2.87Å; S325-F327 VanDerWaalsContact OG-N 3.14Å; S325-F327 PolarHBondContact OG-O 3.44Å | ||
| 326 | D | 84 | Confident | 81.5 | Confident | 113 Ų | 113 | 63 Ų | 63 | 60% | 0.604 | 30% | 0.303 | S | S | * | . | S | Bend | trans | -66.3 | 9.5 | 171.2 | -63.2 | -23.1 | 0 | 0 | 0 | 112 | K350 L351 | D326-K350 CarbonylContact O-C 3.59Å; D326-K350 WeakPolarHBondContact O-CA 3.28Å; D326-K350 WeakPolarHBondContact O-CG 3.2Å; D326-L351 PolarHBondContact O-N 3.48Å |
| 327 | F | 86.2 | Confident | 81.7 | Confident | 86 Ų | 86 | 62.1 Ų | 62.1 | 38% | 0.377 | 30% | 0.299 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.5 | 139.5 | -174.4 | -55.8 | -87.8 | 0 | 0 | 0 | 111.1 | S325 I348 V349 K350 | S325-F327 PolarHBondContact O-N 3.23Å; S325-F327 PolarHBondContact OG-N 2.87Å; S325-F327 VanDerWaalsContact OG-N 3.14Å; S325-F327 PolarHBondContact OG-O 3.44Å; F327-I348 HydrophobicContact CB-CG2 3.88Å; F327-I348 HydrophobicContact CD1-CG2 3.82Å; F327-I348 HydrophobicContact CG-CG2 4.15Å; F327-V349 CarbonylContact C-O 3.45Å; F327-V349 VanDerWaalsContact CA-O 3.23Å; F327-V349 WeakPolarHBondContact CA-O 3.5Å; F327-K350 HydrophobicContact CD1-CB 3.89Å; F327-K350 HydrophobicContact CD1-CG 4.08Å; F327-K350 HydrophobicContact CE1-CB 3.84Å; F327-K350 HydrophobicContact CE1-CD 4.19Å; F327-K350 HydrophobicContact CE1-CG 3.78Å; F327-K350 HydrophobicContact CZ-CG 4.38Å |
| 328 | M | 88.6 | Confident | 82.4 | Confident | 2 Ų | 2 | 66.3 Ų | 66.3 | 1% | 0.01 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.6 | 126 | 162 | -179.2 | -164.4 | -52.3 | 0 | 0 | 108.4 | P263 Y266 F316 I348 V349 L351 | P263-M328 HydrophobicContact CG-CE 3.81Å; P263-M328 HydrophobicContact CG-CG 4.18Å; P263-M328 HydrophobicContact CG-SD 3.93Å; P263-M328 WeakPolarHBondContact O-CE 3.27Å; Y266-M328 HydrophobicContact CD1-CE 4.33Å; Y266-M328 HydrophobicContact CD2-CE 3.16Å; Y266-M328 HydrophobicContact CE2-CE 3.79Å; Y266-M328 HydrophobicContact CG-CE 3.46Å; Y266-M328 VanDerWaalsContact CG-CE 3.46Å; F316-M328 HydrophobicContact CD1-CG 4.27Å; F316-M328 HydrophobicContact CD1-SD 4.47Å; F316-M328 HydrophobicContact CE1-CG 3.89Å; F316-M328 HydrophobicContact CE1-SD 3.55Å; F316-M328 VanDerWaalsContact CE1-SD 3.55Å; F316-M328 HydrophobicContact CZ-SD 4.24Å; M328-I348 CarbonylContact O-C 3.41Å; M328-I348 WeakPolarHBondContact O-CA 3.43Å; M328-V349 PolarHBondContact N-O 3.23Å; M328-V349 PolarHBondContact O-N 2.7Å; M328-L351 HydrophobicContact CB-CD1 4.45Å; M328-L351 HydrophobicContact CB-CD2 3.86Å; M328-L351 HydrophobicContact CB-CG 4.17Å; M328-L351 HydrophobicContact CE-CD2 3.77Å |
| 329 | K | 91.2 | Very high | 83.6 | Confident | 66 Ų | 66 | 62 Ų | 62 | 29% | 0.287 | 29% | 0.294 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.9 | 132.5 | 173.3 | -179.4 | 166.6 | 167.7 | 145.9 | 0 | 110.1 | I320 N321 E346 I348 | I320-K329 HydrophobicContact CG2-CB 4.46Å; N321-K329 PolarHBondContact ND2-O 3.02Å; N321-K329 PolarHBondContact OD1-N 2.89Å; N321-K329 PolarHBondContact OD1-O 3.17Å; K329-E346 WeakPolarHBondContact CE-OE1 3.14Å; K329-E346 WeakPolarHBondContact CE-OE2 3.34Å; K329-E346 HydrophobicContact CG-CG 4.38Å; K329-E346 IonicContact NZ-OE1 2.83Å; K329-E346 PolarHBondContact NZ-OE1 3.19Å; K329-E346 IonicContact NZ-OE2 2.62Å; K329-E346 PolarHBondContact NZ-OE2 3.34Å; K329-I348 HydrophobicContact CB-CG1 4.48Å; K329-I348 HydrophobicContact CD-CG1 4.45Å; K329-I348 HydrophobicContact CG-CG1 4.22Å |
| 330 | S | 93.9 | Very high | 84.9 | Confident | 3 Ų | 3 | 55.2 Ų | 55.2 | 2% | 0.021 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.4 | 148.9 | 179.3 | 55.4 | 0 | 0 | 0 | 0 | 111.8 | S315 L347 | S315-S330 WeakPolarHBondContact O-CA 3.26Å; S315-S330 WeakPolarHBondContact O-CB 3.4Å; S330-L347 PolarHBondContact N-O 2.72Å; S330-L347 PolarHBondContact O-N 2.73Å; S330-L347 PolarHBondContact OG-O 2.83Å |
| 331 | T | 95 | Very high | 86.3 | Confident | 13 Ų | 13 | 52.6 Ų | 52.6 | 8% | 0.08 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.6 | 130.8 | 160.4 | -58.4 | 0 | 0 | 0 | 0 | 107.3 | F22 Y59 W314 S315 G345 | F22-T331 HydrophobicContact CZ-CG2 3.85Å; Y59-T331 HydrophobicContact CD2-CG2 4.26Å; Y59-T331 HydrophobicContact CE2-CG2 3.61Å; W314-T331 CarbonylContact C-O 3.6Å; W314-T331 WeakPolarHBondContact CA-O 3.34Å; S315-T331 PolarHBondContact N-O 3.11Å; S315-T331 PolarHBondContact O-N 3.32Å; T331-G345 CarbonylContact C-O 3.54Å; T331-G345 WeakPolarHBondContact CA-O 3.39Å |
| 332 | V | 97 | Very high | 87.8 | Confident | 0 Ų | 0 | 50.5 Ų | 50.5 | 0% | 0 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.2 | 141.3 | 175.4 | 177.9 | 0 | 0 | 0 | 0 | 108.5 | W5 I268 F301 I312 D313 W314 F344 G345 L347 | W5-V332 HydrophobicContact CH2-CB 3.91Å; W5-V332 HydrophobicContact CH2-CG1 4.28Å; W5-V332 HydrophobicContact CZ3-CB 3.69Å; W5-V332 HydrophobicContact CZ3-CG1 4.33Å; W5-V332 HydrophobicContact CZ3-CG2 3.99Å; I268-V332 HydrophobicContact CD1-CB 4.25Å; I268-V332 HydrophobicContact CD1-CG1 3.51Å; I268-V332 HydrophobicContact CD1-CG2 3.68Å; F301-V332 HydrophobicContact CE2-CG1 4.18Å; F301-V332 HydrophobicContact CZ-CG1 4.06Å; I312-V332 HydrophobicContact CD1-CG1 3.38Å; I312-V332 HydrophobicContact CG1-CG1 4.45Å; D313-V332 CarbonylContact O-C 3.54Å; D313-V332 WeakPolarHBondContact O-CA 3.27Å; D313-V332 WeakPolarHBondContact O-CG1 3.33Å; W314-V332 HydrophobicContact CB-CG2 4.13Å; V332-F344 VanDerWaalsContact O-CA 3.29Å; V332-F344 WeakPolarHBondContact O-CA 3.43Å; V332-G345 PolarHBondContact N-O 2.92Å; V332-G345 PolarHBondContact O-N 3.14Å; V332-L347 HydrophobicContact CG2-CB 3.68Å; V332-L347 HydrophobicContact CG2-CD2 4.08Å |
| 333 | V | 97.9 | Very high | 89.5 | Confident | 1 Ų | 1 | 43.4 Ų | 43.4 | 1% | 0.006 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117 | 132.8 | 164.6 | 64.3 | 0 | 0 | 0 | 0 | 108.3 | V20 F22 I312 D313 I342 E343 F344 | V20-V333 HydrophobicContact CB-CG1 4.07Å; V20-V333 HydrophobicContact CB-CG2 4.15Å; V20-V333 HydrophobicContact CG1-CG2 4.14Å; V20-V333 HydrophobicContact CG2-CG1 4.02Å; V20-V333 HydrophobicContact CG2-CG2 4.3Å; F22-V333 HydrophobicContact CD2-CG1 3.73Å; F22-V333 HydrophobicContact CE1-CB 4.32Å; F22-V333 HydrophobicContact CE1-CG1 4.24Å; F22-V333 HydrophobicContact CE2-CB 3.77Å; F22-V333 HydrophobicContact CE2-CG1 3.37Å; F22-V333 HydrophobicContact CG-CG1 4.33Å; F22-V333 HydrophobicContact CZ-CB 3.61Å; F22-V333 HydrophobicContact CZ-CG1 3.65Å; I312-V333 WeakPolarHBondContact CA-O 3.5Å; I312-V333 WeakPolarHBondContact CD1-O 3.39Å; D313-V333 HydrophobicContact CB-CG1 3.91Å; D313-V333 PolarHBondContact N-O 2.62Å; D313-V333 PolarHBondContact O-N 3.04Å; V333-I342 HydrophobicContact CG2-CG2 3.99Å; V333-E343 WeakPolarHBondContact CA-O 3.26Å; V333-F344 HydrophobicContact CB-CD1 3.75Å; V333-F344 HydrophobicContact CB-CE1 3.57Å; V333-F344 HydrophobicContact CB-CZ 4.21Å; V333-F344 HydrophobicContact CG2-CD1 3.81Å; V333-F344 HydrophobicContact CG2-CD2 4.38Å; V333-F344 HydrophobicContact CG2-CE1 3.38Å; V333-F344 HydrophobicContact CG2-CE2 4Å; V333-F344 HydrophobicContact CG2-CG 4.3Å; V333-F344 HydrophobicContact CG2-CZ 3.47Å; V333-F344 VanDerWaalsContact CG2-CZ 3.47Å |
| 334 | S | 97.9 | Very high | 91.2 | Very high | 0 Ų | 0 | 37.5 Ų | 37.5 | 0% | 0 | 18% | 0.177 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.9 | 147.6 | 177.9 | 65.3 | 0 | 0 | 0 | 0 | 110.2 | R302 G311 I342 E343 | R302-S334 WeakPolarHBondContact CD-OG 3.35Å; R302-S334 PolarHBondContact NH1-OG 2.64Å; G311-S334 CarbonylContact O-C 3.49Å; G311-S334 WeakPolarHBondContact O-CA 3.31Å; S334-I342 CarbonylContact O-C 3.59Å; S334-I342 WeakPolarHBondContact O-CA 3.03Å; S334-E343 PolarHBondContact N-O 3.19Å; S334-E343 PolarHBondContact O-N 3.11Å; S334-E343 PolarHBondContact OG-O 3.37Å |
| 335 | C | 97.8 | Very high | 92.9 | Very high | 0 Ų | 0 | 27.1 Ų | 27.1 | 0% | 0 | 13% | 0.132 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.3 | 146.3 | 170.3 | 75.5 | 0 | 0 | 0 | 0 | 112.5 | T17 V20 Y310 G311 T341 I342 | T17-C335 WeakPolarHBondContact OG1-CB 3.28Å; V20-C335 HydrophobicContact CG1-CB 3.63Å; V20-C335 HydrophobicContact CG2-CB 4.32Å; Y310-C335 PolarHBondContact N-O 3Å; Y310-C335 VanDerWaalsContact N-O 3.13Å; G311-C335 WeakPolarHBondContact CA-SG 3.36Å; G311-C335 PolarHBondContact N-O 3.3Å; G311-C335 PolarHBondContact N-SG 2.94Å; G311-C335 PolarHBondContact O-N 2.82Å; C335-T341 CarbonylContact C-O 3.16Å; C335-T341 WeakPolarHBondContact CA-O 3.35Å; C335-I342 HydrophobicContact CB-CG1 4.03Å |
| 336 | S | 96.6 | Very high | 94.2 | Very high | 0 Ų | 0 | 26.5 Ų | 26.5 | 0% | 0 | 12% | 0.124 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.3 | 134.8 | -175.7 | 158.4 | 0 | 0 | 0 | 0 | 110.2 | T17 Q307 L308 D339 N340 T341 | T17-S336 PolarHBondContact OG1-N 3.24Å; T17-S336 PolarHBondContact OG1-O 2.93Å; Q307-S336 WeakPolarHBondContact CB-OG 2.74Å; L308-S336 CarbonylContact O-C 3.49Å; L308-S336 VanDerWaalsContact O-CA 3.29Å; L308-S336 WeakPolarHBondContact O-CA 3.19Å; L308-S336 PolarHBondContact O-OG 2.89Å; S336-D339 WeakPolarHBondContact CB-OD1 3.17Å; S336-D339 VanDerWaalsContact O-OD1 3.12Å; S336-D339 VanDerWaalsContact OG-CG 3.27Å; S336-D339 PolarHBondContact OG-OD1 2.75Å; S336-N340 PolarHBondContact O-N 3.18Å; S336-T341 PolarHBondContact N-O 2.79Å; S336-T341 PolarHBondContact O-N 2.81Å |
| 337 | F | 95.7 | Very high | 94.8 | Very high | 18 Ų | 18 | 21.1 Ų | 21.1 | 8% | 0.079 | 10% | 0.096 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -70 | -63.3 | -159.6 | -172.4 | -99.3 | 0 | 0 | 0 | 112.6 | H16 Y34 L308 Y310 D339 N340 | H16-F337 WeakPolarHBondContact CA-O 3.42Å; H16-F337 HydrophobicContact CB-CD1 4.14Å; H16-F337 HydrophobicContact CB-CD2 3.67Å; H16-F337 HydrophobicContact CB-CE1 3.97Å; H16-F337 HydrophobicContact CB-CE2 3.5Å; H16-F337 VanDerWaalsContact CB-CE2 3.5Å; H16-F337 HydrophobicContact CB-CG 3.99Å; H16-F337 HydrophobicContact CB-CZ 3.65Å; H16-F337 WeakPolarHBondContact CB-O 3.41Å; H16-F337 AromaticContact CD2-CE1 3.62Å; H16-F337 AromaticContact CD2-CZ 3.64Å; H16-F337 AromaticContact CG-CE1 3.78Å; H16-F337 AromaticContact CG-CZ 3.82Å; H16-F337 PolarHBondContact ND1-O 3.06Å; H16-F337 VanDerWaalsContact ND1-O 3.13Å; Y34-F337 HydrophobicContact CD1-CE2 4.09Å; Y34-F337 HydrophobicContact CD1-CZ 4.06Å; Y34-F337 HydrophobicContact CE1-CZ 4.4Å; L308-F337 HydrophobicContact CB-CB 4.08Å; L308-F337 PolarHBondContact O-N 3.3Å; Y310-F337 HydrophobicContact CD1-CD2 4.36Å; Y310-F337 HydrophobicContact CD2-CB 3.89Å; Y310-F337 HydrophobicContact CE1-CD2 4.24Å; Y310-F337 HydrophobicContact CE2-CB 4.17Å; Y310-F337 HydrophobicContact CE2-CG 4.42Å; Y310-F337 HydrophobicContact CG-CB 4.23Å; F337-D339 PolarHBondContact O-N 3.26Å; F337-N340 PolarHBondContact O-N 2.94Å; F337-N340 PolarHBondContact O-OD1 2.82Å |
| 338 | Y | 93.2 | Very high | 95 | Very high | 132 Ų | 132 | 19 Ų | 19 | 52% | 0.518 | 9% | 0.087 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -77.9 | -20.8 | -170.1 | -72.4 | -53.5 | 0 | 0 | 0 | 114.8 | L308 | L308-Y338 HydrophobicContact CD1-CD2 4.08Å; L308-Y338 HydrophobicContact CD1-CE2 3.46Å; L308-Y338 VanDerWaalsContact CD1-CE2 3.46Å; L308-Y338 HydrophobicContact CG-CD2 3.85Å; L308-Y338 HydrophobicContact CG-CE2 3.68Å |
| 339 | D | 93.5 | Very high | 95.1 | Very high | 46 Ų | 46 | 18.9 Ų | 18.9 | 25% | 0.246 | 9% | 0.087 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -92.6 | -1.3 | 172 | 67.9 | -0.7 | 0 | 0 | 0 | 113.3 | Q307 S336 F337 T341 | Q307-D339 HydrophobicContact CG-CB 3.91Å; S336-D339 WeakPolarHBondContact CB-OD1 3.17Å; S336-D339 VanDerWaalsContact O-OD1 3.12Å; S336-D339 VanDerWaalsContact OG-CG 3.27Å; S336-D339 PolarHBondContact OG-OD1 2.75Å; F337-D339 PolarHBondContact O-N 3.26Å; D339-T341 HydrophobicContact CB-CG2 3.93Å; D339-T341 VanDerWaalsContact CG-OG1 3.23Å; D339-T341 WeakPolarHBondContact O-CG2 3.3Å; D339-T341 PolarHBondContact O-N 2.8Å; D339-T341 VanDerWaalsContact O-N 3.13Å; D339-T341 PolarHBondContact OD1-N 3.06Å; D339-T341 PolarHBondContact OD1-OG1 2.94Å; D339-T341 WeakPolarHBondContact OD2-CG2 3.35Å; D339-T341 PolarHBondContact OD2-OG1 3.22Å; D339-T341 VanDerWaalsContact OD2-OG1 3.07Å |
| 340 | N | 95.6 | Very high | 94.9 | Very high | 28 Ų | 28 | 21 Ų | 21 | 15% | 0.15 | 10% | 0.096 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 55.7 | 26 | 179.9 | -51.2 | -9.2 | 0 | 0 | 0 | 112.9 | V12 A13 H16 S336 F337 | V12-N340 CarbonylContact C-O 3.53Å; V12-N340 WeakPolarHBondContact CA-O 3.09Å; V12-N340 HydrophobicContact CG1-CB 4.21Å; A13-N340 HydrophobicContact CB-CB 4.4Å; A13-N340 PolarHBondContact N-O 3.48Å; A13-N340 VanDerWaalsContact O-CB 3.32Å; A13-N340 WeakPolarHBondContact O-CB 3.21Å; A13-N340 PolarHBondContact O-ND2 2.87Å; H16-N340 WeakPolarHBondContact CA-OD1 3.37Å; H16-N340 PolarHBondContact ND1-OD1 3.22Å; S336-N340 PolarHBondContact O-N 3.18Å; F337-N340 PolarHBondContact O-N 2.94Å; F337-N340 PolarHBondContact O-OD1 2.82Å |
| 341 | T | 96.1 | Very high | 94.2 | Very high | 4 Ų | 4 | 25 Ų | 25 | 3% | 0.025 | 12% | 0.117 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.1 | 135.2 | -171.7 | 63.8 | 0 | 0 | 0 | 0 | 111.9 | Y11 V12 R302 C335 S336 D339 | Y11-T341 WeakPolarHBondContact O-CA 3.21Å; V12-T341 HydrophobicContact CG2-CG2 4.5Å; R302-T341 PolarHBondContact NH2-OG1 3.06Å; R302-T341 VanDerWaalsContact NH2-OG1 3.13Å; C335-T341 CarbonylContact C-O 3.16Å; C335-T341 WeakPolarHBondContact CA-O 3.35Å; S336-T341 PolarHBondContact N-O 2.79Å; S336-T341 PolarHBondContact O-N 2.81Å; D339-T341 HydrophobicContact CB-CG2 3.93Å; D339-T341 VanDerWaalsContact CG-OG1 3.23Å; D339-T341 WeakPolarHBondContact O-CG2 3.3Å; D339-T341 PolarHBondContact O-N 2.8Å; D339-T341 VanDerWaalsContact O-N 3.13Å; D339-T341 PolarHBondContact OD1-N 3.06Å; D339-T341 PolarHBondContact OD1-OG1 2.94Å; D339-T341 WeakPolarHBondContact OD2-CG2 3.35Å; D339-T341 PolarHBondContact OD2-OG1 3.22Å; D339-T341 VanDerWaalsContact OD2-OG1 3.07Å |
| 342 | I | 97.6 | Very high | 94.2 | Very high | 0 Ų | 0 | 25.6 Ų | 25.6 | 0% | 0 | 12% | 0.119 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.3 | 121.1 | 163.2 | -61.6 | 129.2 | 0 | 0 | 0 | 107.4 | K10 Y11 A13 T17 V20 C31 L48 F50 V333 S334 C335 F344 | K10-I342 CarbonylContact C-O 3.55Å; K10-I342 WeakPolarHBondContact CA-O 3.43Å; Y11-I342 HydrophobicContact CD1-CD1 3.86Å; Y11-I342 PolarHBondContact N-O 2.93Å; Y11-I342 PolarHBondContact O-N 3.24Å; A13-I342 HydrophobicContact CB-CD1 4.01Å; T17-I342 HydrophobicContact CG2-CD1 3.65Å; T17-I342 HydrophobicContact CG2-CG1 3.88Å; V20-I342 HydrophobicContact CG1-CG2 4.48Å; C31-I342 HydrophobicContact CB-CD1 4.12Å; C31-I342 HydrophobicContact CB-CG1 4.2Å; C31-I342 VanDerWaalsContact SG-CG1 3.57Å; L48-I342 HydrophobicContact CD1-CD1 3.91Å; F50-I342 HydrophobicContact CE2-CD1 4.17Å; F50-I342 HydrophobicContact CE2-CG2 4.16Å; F50-I342 HydrophobicContact CZ-CB 4.31Å; F50-I342 HydrophobicContact CZ-CD1 3.96Å; F50-I342 HydrophobicContact CZ-CG2 4.06Å; V333-I342 HydrophobicContact CG2-CG2 3.99Å; S334-I342 CarbonylContact O-C 3.59Å; S334-I342 WeakPolarHBondContact O-CA 3.03Å; C335-I342 HydrophobicContact CB-CG1 4.03Å; I342-F344 HydrophobicContact CG2-CD2 4.39Å; I342-F344 HydrophobicContact CG2-CE2 3.72Å; I342-F344 HydrophobicContact CG2-CZ 4.28Å |
| 343 | E | 96.5 | Very high | 94.1 | Very high | 9 Ų | 9 | 26.9 Ų | 26.9 | 4% | 0.042 | 13% | 0.125 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.7 | 127.6 | -175.5 | -167.6 | 177.4 | 124.3 | 0 | 0 | 110.8 | W5 E7 R302 V333 S334 | W5-E343 HydrophobicContact CZ2-CG 4.48Å; W5-E343 WeakPolarHBondContact CZ2-OE1 3.23Å; W5-E343 PolarHBondContact NE1-OE1 2.91Å; E7-E343 HydrophobicContact CG-CG 3.78Å; R302-E343 WeakPolarHBondContact CD-OE1 3.49Å; R302-E343 IonicContact CZ-OE2 3.56Å; R302-E343 IonicContact NE-OE1 3.49Å; R302-E343 PolarHBondContact NE-OE1 2.97Å; R302-E343 IonicContact NE-OE2 3.59Å; R302-E343 PolarHBondContact NE-OE2 2.94Å; R302-E343 IonicContact NH2-OE2 2.77Å; R302-E343 PolarHBondContact NH2-OE2 2.98Å; V333-E343 WeakPolarHBondContact CA-O 3.26Å; S334-E343 PolarHBondContact N-O 3.19Å; S334-E343 PolarHBondContact O-N 3.11Å; S334-E343 PolarHBondContact OG-O 3.37Å |
| 344 | F | 96.3 | Very high | 93.8 | Very high | 2 Ų | 2 | 28.3 Ų | 28.3 | 1% | 0.009 | 13% | 0.132 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.4 | 137.8 | 171 | -63.9 | -96.5 | 0 | 0 | 0 | 109.4 | Q8 S9 F22 A29 F50 Y59 V332 V333 I342 | Q8-F344 PolarHBondContact N-O 3.21Å; S9-F344 PolarHBondContact N-O 2.72Å; S9-F344 VanDerWaalsContact N-O 3.12Å; S9-F344 PolarHBondContact O-N 3.07Å; F22-F344 HydrophobicContact CE1-CD1 4.27Å; F22-F344 AromaticContact CE1-CE1 3.91Å; F22-F344 HydrophobicContact CE1-CE1 3.91Å; F22-F344 HydrophobicContact CZ-CD1 4.09Å; F22-F344 HydrophobicContact CZ-CE1 4.08Å; A29-F344 HydrophobicContact CB-CE1 3.91Å; A29-F344 HydrophobicContact CB-CZ 4.07Å; F50-F344 HydrophobicContact CB-CE2 4.26Å; F50-F344 HydrophobicContact CB-CZ 3.7Å; F50-F344 AromaticContact CD1-CE2 3.6Å; F50-F344 HydrophobicContact CD1-CE2 3.6Å; F50-F344 AromaticContact CD1-CZ 3.92Å; F50-F344 HydrophobicContact CD1-CZ 3.92Å; F50-F344 HydrophobicContact CD2-CE2 4.44Å; F50-F344 HydrophobicContact CD2-CZ 4.19Å; F50-F344 HydrophobicContact CE1-CE2 4.02Å; F50-F344 AromaticContact CG-CE2 3.85Å; F50-F344 HydrophobicContact CG-CE2 3.85Å; F50-F344 AromaticContact CG-CZ 3.67Å; F50-F344 HydrophobicContact CG-CZ 3.67Å; Y59-F344 VanDerWaalsContact CB-CE1 3.5Å; Y59-F344 HydrophobicContact CD1-CD1 4.25Å; Y59-F344 AromaticContact CD1-CE1 3.75Å; Y59-F344 HydrophobicContact CD1-CE1 3.75Å; Y59-F344 HydrophobicContact CD1-CZ 4.28Å; Y59-F344 HydrophobicContact CD2-CB 4.48Å; Y59-F344 AromaticContact CD2-CD1 3.42Å; Y59-F344 HydrophobicContact CD2-CD1 3.42Å; Y59-F344 VanDerWaalsContact CD2-CD1 3.42Å; Y59-F344 AromaticContact CD2-CE1 3.8Å; Y59-F344 HydrophobicContact CD2-CE1 3.8Å; Y59-F344 HydrophobicContact CD2-CG 4.06Å; Y59-F344 HydrophobicContact CE1-CE1 4.39Å; Y59-F344 HydrophobicContact CE2-CD1 4.14Å; Y59-F344 HydrophobicContact CE2-CE1 4.46Å; Y59-F344 AromaticContact CG-CD1 3.49Å; Y59-F344 HydrophobicContact CG-CD1 3.49Å; Y59-F344 VanDerWaalsContact CG-CD1 3.49Å; Y59-F344 AromaticContact CG-CE1 3.39Å; Y59-F344 HydrophobicContact CG-CE1 3.39Å; Y59-F344 HydrophobicContact CG-CG 4.12Å; Y59-F344 AromaticContact CG-CZ 3.97Å; Y59-F344 HydrophobicContact CG-CZ 3.97Å; V332-F344 VanDerWaalsContact O-CA 3.29Å; V332-F344 WeakPolarHBondContact O-CA 3.43Å; V333-F344 HydrophobicContact CB-CD1 3.75Å; V333-F344 HydrophobicContact CB-CE1 3.57Å; V333-F344 HydrophobicContact CB-CZ 4.21Å; V333-F344 HydrophobicContact CG2-CD1 3.81Å; V333-F344 HydrophobicContact CG2-CD2 4.38Å; V333-F344 HydrophobicContact CG2-CE1 3.38Å; V333-F344 HydrophobicContact CG2-CE2 4Å; V333-F344 HydrophobicContact CG2-CG 4.3Å; V333-F344 HydrophobicContact CG2-CZ 3.47Å; V333-F344 VanDerWaalsContact CG2-CZ 3.47Å; I342-F344 HydrophobicContact CG2-CD2 4.39Å; I342-F344 HydrophobicContact CG2-CE2 3.72Å; I342-F344 HydrophobicContact CG2-CZ 4.28Å |
| 345 | G | 94.7 | Very high | 93.6 | Very high | 0 Ų | 0 | 30 Ų | 30 | 0% | 0 | 14% | 0.139 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -158.5 | 168.3 | 175.3 | 0 | 0 | 0 | 0 | 0 | 113.7 | W5 K6 T331 V332 | W5-G345 WeakPolarHBondContact CZ3-O 3.32Å; K6-G345 CarbonylContact O-C 3.59Å; K6-G345 WeakPolarHBondContact O-CA 3.37Å; T331-G345 CarbonylContact C-O 3.54Å; T331-G345 WeakPolarHBondContact CA-O 3.39Å; V332-G345 PolarHBondContact N-O 2.92Å; V332-G345 PolarHBondContact O-N 3.14Å |
| 346 | E | 94 | Very high | 93.3 | Very high | 34 Ų | 34 | 31.9 Ų | 31.9 | 16% | 0.159 | 15% | 0.148 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.6 | 121.4 | 177.5 | -178.5 | 172.9 | 120.1 | 0 | 0 | 109.6 | W5 K6 K329 I348 | W5-E346 CarbonylContact C-O 3.56Å; W5-E346 WeakPolarHBondContact CA-O 3.42Å; K6-E346 PolarHBondContact N-O 3.12Å; K6-E346 PolarHBondContact O-N 3.24Å; K329-E346 WeakPolarHBondContact CE-OE1 3.14Å; K329-E346 WeakPolarHBondContact CE-OE2 3.34Å; K329-E346 HydrophobicContact CG-CG 4.38Å; K329-E346 IonicContact NZ-OE1 2.83Å; K329-E346 PolarHBondContact NZ-OE1 3.19Å; K329-E346 IonicContact NZ-OE2 2.62Å; K329-E346 PolarHBondContact NZ-OE2 3.34Å; E346-I348 HydrophobicContact CG-CG1 4.22Å; E346-I348 WeakPolarHBondContact OE1-CD1 3.36Å |
| 347 | L | 94.6 | Very high | 93.1 | Very high | 0 Ų | 0 | 34 Ų | 34 | 0% | 0 | 16% | 0.158 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.5 | 126.1 | 170.7 | -178.2 | 66.4 | 0 | 0 | 0 | 108.8 | W5 V278 F301 W314 S330 V332 V349 | W5-L347 HydrophobicContact CE3-CB 4.07Å; W5-L347 HydrophobicContact CZ3-CB 4.25Å; V278-L347 HydrophobicContact CB-CD2 4.15Å; V278-L347 HydrophobicContact CG1-CD2 4.11Å; F301-L347 HydrophobicContact CB-CD1 4Å; F301-L347 HydrophobicContact CD1-CD1 4.15Å; F301-L347 HydrophobicContact CD1-CD2 4.21Å; F301-L347 HydrophobicContact CD2-CD1 4.41Å; F301-L347 HydrophobicContact CE1-CD2 4.19Å; F301-L347 HydrophobicContact CG-CD1 3.93Å; W314-L347 HydrophobicContact CZ3-CD2 4.47Å; S330-L347 PolarHBondContact N-O 2.72Å; S330-L347 PolarHBondContact O-N 2.73Å; S330-L347 PolarHBondContact OG-O 2.83Å; V332-L347 HydrophobicContact CG2-CB 3.68Å; V332-L347 HydrophobicContact CG2-CD2 4.08Å; L347-V349 HydrophobicContact CD1-CG2 4.37Å; L347-V349 HydrophobicContact CD2-CG2 4.21Å; L347-V349 HydrophobicContact CG-CG2 4.02Å |
| 348 | I | 92.4 | Very high | 92.9 | Very high | 40 Ų | 40 | 35.1 Ų | 35.1 | 21% | 0.205 | 16% | 0.163 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.4 | 127.8 | 170.9 | -59.2 | 171.1 | 0 | 0 | 0 | 107.4 | Y3 S4 F327 M328 K329 E346 | Y3-I348 CarbonylContact C-O 3.59Å; Y3-I348 WeakPolarHBondContact CA-O 3.39Å; Y3-I348 WeakPolarHBondContact CB-O 3.42Å; S4-I348 PolarHBondContact N-O 2.74Å; S4-I348 PolarHBondContact O-N 3.09Å; F327-I348 HydrophobicContact CB-CG2 3.88Å; F327-I348 HydrophobicContact CD1-CG2 3.82Å; F327-I348 HydrophobicContact CG-CG2 4.15Å; M328-I348 CarbonylContact O-C 3.41Å; M328-I348 WeakPolarHBondContact O-CA 3.43Å; K329-I348 HydrophobicContact CB-CG1 4.48Å; K329-I348 HydrophobicContact CD-CG1 4.45Å; K329-I348 HydrophobicContact CG-CG1 4.22Å; E346-I348 HydrophobicContact CG-CG1 4.22Å; E346-I348 WeakPolarHBondContact OE1-CD1 3.36Å |
| 349 | V | 90.3 | Very high | 92.9 | Very high | 1 Ų | 1 | 27.7 Ų | 27.7 | 1% | 0.006 | 14% | 0.136 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.6 | 132.3 | 175.4 | -174.4 | 0 | 0 | 0 | 0 | 108.6 | Y266 V278 F327 M328 L347 | Y266-V349 HydrophobicContact CD1-CG1 4.2Å; Y266-V349 HydrophobicContact CE1-CG1 3.53Å; V278-V349 HydrophobicContact CG1-CG2 4.01Å; F327-V349 CarbonylContact C-O 3.45Å; F327-V349 VanDerWaalsContact CA-O 3.23Å; F327-V349 WeakPolarHBondContact CA-O 3.5Å; M328-V349 PolarHBondContact N-O 3.23Å; M328-V349 PolarHBondContact O-N 2.7Å; L347-V349 HydrophobicContact CD1-CG2 4.37Å; L347-V349 HydrophobicContact CD2-CG2 4.21Å; L347-V349 HydrophobicContact CG-CG2 4.02Å |
| 350 | K | 86.1 | Confident | 92.9 | Very high | 109 Ų | 109 | 26.2 Ų | 26.2 | 47% | 0.474 | 13% | 0.127 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -76.6 | 126.7 | 174 | -168.8 | 179.3 | 179.5 | -179.3 | 0 | 109.2 | K2 Y266 D326 F327 | K2-K350 WeakPolarHBondContact O-CB 2.93Å; K2-K350 PolarHBondContact O-N 2.63Å; Y266-K350 PolarHBondContact OH-O 3.39Å; D326-K350 CarbonylContact O-C 3.59Å; D326-K350 WeakPolarHBondContact O-CA 3.28Å; D326-K350 WeakPolarHBondContact O-CG 3.2Å; F327-K350 HydrophobicContact CD1-CB 3.89Å; F327-K350 HydrophobicContact CD1-CG 4.08Å; F327-K350 HydrophobicContact CE1-CB 3.84Å; F327-K350 HydrophobicContact CE1-CD 4.19Å; F327-K350 HydrophobicContact CE1-CG 3.78Å; F327-K350 HydrophobicContact CZ-CG 4.38Å |
| 351 | L | 80.5 | Confident | 92.6 | Very high | 87 Ų | 87 | 26 Ų | 26 | 46% | 0.455 | 13% | 0.125 | S | C | . | . | trans | -78.2 | 0 | -176.2 | -67.6 | 174.6 | 0 | 0 | 0 | 113.2 | Q264 Y266 D326 M328 | Q264-L351 VanDerWaalsContact NE2-CD1 3.32Å; Y266-L351 HydrophobicContact CD2-CD2 4.31Å; Y266-L351 HydrophobicContact CE2-CD2 3.59Å; D326-L351 PolarHBondContact O-N 3.48Å; M328-L351 HydrophobicContact CB-CD1 4.45Å; M328-L351 HydrophobicContact CB-CD2 3.86Å; M328-L351 HydrophobicContact CB-CG 4.17Å; M328-L351 HydrophobicContact CE-CD2 3.77Å |
Retrieved 351 of 351 residues in 78.8 ms
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