| 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 | 44.1 | Very low | 79.9 | Confident | 209 Ų | 209 | 95.5 Ų | 95.5 | 100% | 1.03 | 48% | 0.481 | S | S | * | . | 0 | 148.6 | 0 | -71.1 | 174.3 | -79.1 | 0 | 0 | 107.3 | |||||
| 2 | A | 53.6 | Low | 81.1 | Confident | 83 Ų | 83 | 93.1 Ų | 93.1 | 69% | 0.686 | 47% | 0.474 | S | S | * | . | trans | -109.8 | 111.2 | -174.1 | 0 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 3 | W | 66.2 | Low | 82.2 | Confident | 101 Ų | 101 | 88.1 Ų | 88.1 | 38% | 0.383 | 45% | 0.449 | S | S | . | . | trans | -64 | 150.8 | 172.2 | -55.1 | -70.7 | 0 | 0 | 0 | 110.6 | S315 L317 | W3-S315 VanDerWaalsContact CH2-OG 3.28Å; W3-S315 WeakPolarHBondContact CH2-OG 3.06Å; W3-L317 HydrophobicContact CD2-CD2 3.51Å; W3-L317 HydrophobicContact CE3-CD2 3.48Å; W3-L317 VanDerWaalsContact CE3-CD2 3.48Å; W3-L317 HydrophobicContact CG-CD2 4.06Å; W3-L317 HydrophobicContact CH2-CD2 4.12Å; W3-L317 HydrophobicContact CZ2-CD2 4.15Å; W3-L317 HydrophobicContact CZ3-CD2 3.79Å | ||
| 4 | K | 80.1 | Confident | 83.2 | Confident | 165 Ų | 165 | 88.8 Ų | 88.8 | 72% | 0.717 | 45% | 0.454 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -100 | 105.5 | 167 | -70 | 177.5 | -179.3 | 174.7 | 0 | 108.5 | T437 | K4-T437 PolarHBondContact O-N 3.22Å; K4-T437 VanDerWaalsContact O-N 3.08Å |
| 5 | S | 87.4 | Confident | 84.1 | Confident | 48 Ų | 48 | 82.9 Ų | 82.9 | 34% | 0.336 | 42% | 0.424 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.7 | 148.4 | 168.8 | 52.3 | 0 | 0 | 0 | 0 | 109.5 | L317 D435 | S5-L317 PolarHBondContact OG-O 3.43Å; S5-D435 CarbonylContact C-O 3.59Å; S5-D435 VanDerWaalsContact CA-O 3.3Å; S5-D435 WeakPolarHBondContact CA-O 3.32Å |
| 6 | R | 89.1 | Confident | 84.9 | Confident | 149 Ų | 149 | 83.8 Ų | 83.8 | 56% | 0.562 | 43% | 0.426 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -143.9 | 117.3 | 176.6 | -177.7 | -177.8 | -177.3 | -177.8 | 2.4 | 110.5 | R8 W434 D435 | R6-R8 HydrophobicContact CG-CG 4.25Å; R6-W434 WeakPolarHBondContact O-CA 3.18Å; R6-D435 HydrophobicContact CB-CB 4.32Å; R6-D435 PolarHBondContact N-O 3.02Å; R6-D435 PolarHBondContact O-N 3.19Å |
| 7 | T | 90.8 | Very high | 85.6 | Confident | 54 Ų | 54 | 80.2 Ų | 80.2 | 33% | 0.331 | 41% | 0.408 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.4 | 148.2 | 168 | 48.8 | 0 | 0 | 0 | 0 | 110.8 | Y320 W432 R433 | T7-Y320 HydrophobicContact CG2-CD2 4.5Å; T7-W432 HydrophobicContact CG2-CE3 4.11Å; T7-W432 HydrophobicContact CG2-CZ3 3.78Å; T7-R433 CarbonylContact C-O 3.43Å; T7-R433 WeakPolarHBondContact CA-O 3.18Å |
| 8 | R | 90.3 | Very high | 86.2 | Confident | 81 Ų | 81 | 75.9 Ų | 75.9 | 31% | 0.306 | 39% | 0.386 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.6 | 121.8 | 173.1 | -44.7 | -176.2 | -156 | -174.3 | 10.1 | 109 | R6 W432 R433 D435 | R6-R8 HydrophobicContact CG-CG 4.25Å; R8-W432 CarbonylContact O-C 3.55Å; R8-W432 WeakPolarHBondContact O-CA 3.41Å; R8-W432 WeakPolarHBondContact O-CB 3.46Å; R8-R433 PolarHBondContact N-O 3.47Å; R8-R433 PolarHBondContact O-N 2.6Å; R8-D435 IonicContact CZ-OD2 2.94Å; R8-D435 IonicContact NE-OD2 3.88Å; R8-D435 PolarHBondContact NE-OD2 3.37Å; R8-D435 IonicContact NH2-OD1 2.7Å; R8-D435 PolarHBondContact NH2-OD1 2.96Å; R8-D435 IonicContact NH2-OD2 2.95Å; R8-D435 PolarHBondContact NH2-OD2 3.33Å |
| 9 | S | 91.8 | Very high | 86.8 | Confident | 65 Ų | 65 | 71.9 Ų | 71.9 | 46% | 0.455 | 37% | 0.366 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.1 | 136.1 | 166.8 | -166.6 | 0 | 0 | 0 | 0 | 109.3 | ||
| 10 | L | 92.1 | Very high | 87.3 | Confident | 68 Ų | 68 | 68.9 Ų | 68.9 | 36% | 0.356 | 35% | 0.351 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.3 | -40.5 | 174.9 | -58.7 | -179.6 | 0 | 0 | 0 | 110.9 | F64 P73 L418 V431 R433 | L10-F64 HydrophobicContact CD1-CE2 4.18Å; L10-F64 HydrophobicContact CD1-CZ 4.2Å; L10-P73 HydrophobicContact CB-CG 4.37Å; L10-L418 HydrophobicContact CD1-CD1 3.68Å; L10-V431 WeakPolarHBondContact CA-O 3.4Å; L10-V431 WeakPolarHBondContact CB-O 3.31Å; L10-V431 HydrophobicContact CD1-CG1 4.48Å; L10-V431 PolarHBondContact N-O 2.98Å; L10-R433 HydrophobicContact CD1-CB 4.14Å; L10-R433 HydrophobicContact CD2-CB 4.18Å; L10-R433 HydrophobicContact CG-CB 4.22Å |
| 11 | Q | 93.6 | Very high | 87.9 | Confident | 28 Ų | 28 | 65.6 Ų | 65.6 | 13% | 0.131 | 33% | 0.334 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -157.7 | 150 | 176.7 | -172.8 | 173.3 | -16 | 0 | 0 | 110.2 | L13 P72 P73 L74 V431 | Q11-L13 HydrophobicContact CB-CD1 4.4Å; Q11-L13 HydrophobicContact CG-CD1 3.7Å; Q11-L13 HydrophobicContact CG-CG 4.1Å; Q11-L13 VanDerWaalsContact NE2-CG 3.35Å; Q11-P72 HydrophobicContact CG-CB 4.5Å; Q11-P73 HydrophobicContact CB-CG 4.11Å; Q11-L74 PolarHBondContact NE2-O 3.27Å; Q11-L74 VanDerWaalsContact OE1-CB 3.25Å; Q11-V431 PolarHBondContact N-O 2.75Å; Q11-V431 VanDerWaalsContact N-O 3.07Å; Q11-V431 PolarHBondContact O-N 3.26Å |
| 12 | V | 94.5 | Very high | 90.5 | Very high | 66 Ų | 66 | 55.7 Ų | 55.7 | 40% | 0.4 | 29% | 0.285 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.5 | 139.5 | 164.6 | -172 | 0 | 0 | 0 | 0 | 106.9 | M428 L429 | V12-M428 HydrophobicContact CG1-CB 3.75Å; V12-M428 HydrophobicContact CG1-CG 3.92Å; V12-M428 HydrophobicContact CG1-SD 3.62Å; V12-L429 CarbonylContact C-O 3.6Å; V12-L429 WeakPolarHBondContact CA-O 3.4Å |
| 13 | L | 95.1 | Very high | 92.6 | Very high | 28 Ų | 28 | 52.2 Ų | 52.2 | 15% | 0.147 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.7 | 130.2 | 178.7 | -57.4 | 89.9 | 0 | 0 | 0 | 109.6 | Q11 F62 L74 M428 L429 | Q11-L13 HydrophobicContact CB-CD1 4.4Å; Q11-L13 HydrophobicContact CG-CD1 3.7Å; Q11-L13 HydrophobicContact CG-CG 4.1Å; Q11-L13 VanDerWaalsContact NE2-CG 3.35Å; L13-F62 HydrophobicContact CD2-CD1 4.34Å; L13-F62 HydrophobicContact CD2-CE1 3.74Å; L13-F62 HydrophobicContact CD2-CZ 4.28Å; L13-L74 HydrophobicContact CD1-CB 4.38Å; L13-L74 HydrophobicContact CD1-CD2 3.57Å; L13-L74 HydrophobicContact CD2-CD2 3.9Å; L13-L74 HydrophobicContact CG-CD2 4.43Å; L13-M428 CarbonylContact O-C 3.57Å; L13-M428 WeakPolarHBondContact O-CA 3.47Å; L13-L429 HydrophobicContact CB-CB 4.45Å; L13-L429 HydrophobicContact CD1-CG 4.46Å; L13-L429 PolarHBondContact N-O 2.76Å; L13-L429 PolarHBondContact O-N 2.72Å |
| 14 | D | 96.1 | Very high | 94.1 | Very high | 98 Ų | 98 | 47.7 Ų | 47.7 | 52% | 0.524 | 24% | 0.238 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -68.7 | 127.1 | 163.2 | -174.5 | -17.8 | 0 | 0 | 0 | 108.8 | E16 M428 | D14-E16 WeakPolarHBondContact OD1-CA 3.49Å; D14-E16 PolarHBondContact OD1-N 2.96Å; D14-M428 HydrophobicContact CB-CE 3.87Å; D14-M428 HydrophobicContact CB-SD 4.25Å |
| 15 | T | 96.9 | Very high | 95 | Very high | 0 Ų | 0 | 39.9 Ų | 39.9 | 0% | 0 | 20% | 0.204 | C | C | . | . | trans | -102.9 | 13.1 | 178 | 58.8 | 0 | 0 | 0 | 0 | 113.7 | L17 Y60 H427 L429 | T15-L17 PolarHBondContact O-N 3.28Å; T15-L17 PolarHBondContact OG1-O 3.06Å; T15-Y60 HydrophobicContact CG2-CE2 4.45Å; T15-Y60 WeakPolarHBondContact O-CE2 3.39Å; T15-Y60 PolarHBondContact O-OH 2.76Å; T15-H427 PolarHBondContact N-O 3.3Å; T15-H427 PolarHBondContact OG1-O 2.99Å; T15-L429 HydrophobicContact CG2-CB 3.75Å | ||
| 16 | E | 96.6 | Very high | 95.4 | Very high | 98 Ų | 98 | 38.5 Ų | 38.5 | 46% | 0.458 | 19% | 0.194 | S | C | . | . | S | Bend | trans | 61.8 | -10.8 | 175.1 | -59.7 | 160.2 | -137.3 | 0 | 0 | 116 | D14 R58 R79 | D14-E16 WeakPolarHBondContact OD1-CA 3.49Å; D14-E16 PolarHBondContact OD1-N 2.96Å; E16-R58 IonicContact OE1-NH1 3.5Å; E16-R58 IonicContact OE2-CZ 2.79Å; E16-R58 IonicContact OE2-NH1 3.47Å; E16-R58 PolarHBondContact OE2-NH1 3.02Å; E16-R79 IonicContact OE1-CZ 2.7Å; E16-R79 VanDerWaalsContact OE1-CZ 3.25Å; E16-R79 IonicContact OE1-NH1 3.1Å; E16-R79 PolarHBondContact OE1-NH1 2.7Å; E16-R79 IonicContact OE1-NH2 2.7Å; E16-R79 PolarHBondContact OE1-NH2 2.79Å; E16-R79 IonicContact OE2-NH1 3.34Å; E16-R79 PolarHBondContact OE2-NH1 2.83Å |
| 17 | L | 96.4 | Very high | 95.7 | Very high | 22 Ų | 22 | 32.1 Ų | 32.1 | 12% | 0.115 | 17% | 0.171 | C | C | . | . | S | Bend | trans | -147.7 | 151.4 | -179.9 | -60 | 174.8 | 0 | 0 | 0 | 106.2 | T15 A19 T38 Q40 I56 R58 | T15-L17 PolarHBondContact O-N 3.28Å; T15-L17 PolarHBondContact OG1-O 3.06Å; L17-A19 PolarHBondContact O-N 2.71Å; L17-T38 HydrophobicContact CB-CG2 4.23Å; L17-Q40 HydrophobicContact CB-CB 4.19Å; L17-Q40 HydrophobicContact CD2-CB 3.82Å; L17-Q40 HydrophobicContact CD2-CG 3.9Å; L17-Q40 HydrophobicContact CG-CB 4.49Å; L17-I56 HydrophobicContact CD2-CD1 4.06Å; L17-I56 HydrophobicContact CD2-CG1 4.49Å; L17-R58 HydrophobicContact CD1-CB 4Å |
| 18 | S | 96.9 | Very high | 95.8 | Very high | 3 Ų | 3 | 34.4 Ų | 34.4 | 2% | 0.021 | 19% | 0.186 | C | C | . | . | trans | -56.6 | 122.6 | -175.2 | -55.9 | 0 | 0 | 0 | 0 | 113.1 | D20 T38 Y39 Q40 F424 H427 | S18-D20 PolarHBondContact O-N 3.07Å; S18-T38 CarbonylContact O-C 3.59Å; S18-T38 WeakPolarHBondContact O-CA 3.4Å; S18-T38 WeakPolarHBondContact O-CB 3.38Å; S18-Y39 VanDerWaalsContact CB-O 3.31Å; S18-Y39 WeakPolarHBondContact CB-O 3.49Å; S18-Y39 PolarHBondContact O-N 3.15Å; S18-Q40 PolarHBondContact OG-OE1 2.85Å; S18-F424 VanDerWaalsContact CA-O 3.3Å; S18-F424 WeakPolarHBondContact CA-O 3.36Å; S18-F424 WeakPolarHBondContact CB-O 3.29Å; S18-F424 PolarHBondContact OG-O 2.95Å; S18-H427 WeakPolarHBondContact CA-ND1 3.26Å; S18-H427 PolarHBondContact N-ND1 2.74Å; S18-H427 PolarHBondContact OG-CE1 2.8Å; S18-H427 PolarHBondContact OG-ND1 3.12Å | ||
| 19 | A | 97.4 | Very high | 95.9 | Very high | 0 Ų | 0 | 38.2 Ų | 38.2 | 0% | 0 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -69.5 | 124.5 | 177.2 | 0 | 0 | 0 | 0 | 0 | 109.2 | L17 C422 | L17-A19 PolarHBondContact O-N 2.71Å; A19-C422 HydrophobicContact CB-CB 3.76Å; A19-C422 WeakPolarHBondContact O-CB 3.29Å |
| 20 | D | 97.8 | Very high | 96.1 | Very high | 12 Ų | 12 | 36.8 Ų | 36.8 | 6% | 0.064 | 19% | 0.192 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.6 | -51.1 | -172.5 | -171 | 89.8 | 0 | 0 | 0 | 111.8 | S18 G37 Y328 G329 F424 | S18-D20 PolarHBondContact O-N 3.07Å; D20-G37 PolarHBondContact N-O 2.81Å; D20-Y328 CarbonylContact O-C 3.58Å; D20-Y328 WeakPolarHBondContact O-CB 3.41Å; D20-Y328 WeakPolarHBondContact OD1-CD2 3.38Å; D20-G329 WeakPolarHBondContact O-CA 3.37Å; D20-G329 PolarHBondContact O-N 3.03Å; D20-F424 HydrophobicContact CB-CE2 4.5Å |
| 21 | T | 98.5 | Very high | 96.3 | Very high | 0 Ų | 0 | 35 Ų | 35 | 0% | 0 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.7 | 146.8 | -172.4 | -172.9 | 0 | 0 | 0 | 0 | 112.4 | C36 G37 I85 I88 | T21-C36 CarbonylContact O-C 3.56Å; T21-C36 WeakPolarHBondContact O-CA 3.47Å; T21-G37 PolarHBondContact N-O 2.83Å; T21-G37 VanDerWaalsContact N-O 3.12Å; T21-G37 PolarHBondContact O-N 3.46Å; T21-I85 HydrophobicContact CG2-CG2 3.82Å; T21-I88 HydrophobicContact CG2-CB 4.46Å; T21-I88 HydrophobicContact CG2-CD1 4.24Å; T21-I88 HydrophobicContact CG2-CG1 3.87Å; T21-I88 HydrophobicContact CG2-CG2 4.18Å |
| 22 | V | 98.6 | Very high | 96.4 | Very high | 0 Ų | 0 | 35.6 Ų | 35.6 | 0% | 0 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -150.4 | 136.6 | -172.6 | 60.3 | 0 | 0 | 0 | 0 | 111.1 | L34 A35 D331 A420 C422 L429 | V22-L34 HydrophobicContact CG2-CD1 3.35Å; V22-L34 HydrophobicContact CG2-CD2 4.29Å; V22-L34 HydrophobicContact CG2-CG 4Å; V22-A35 WeakPolarHBondContact CA-O 3.49Å; V22-A35 WeakPolarHBondContact CG2-O 3.39Å; V22-D331 WeakPolarHBondContact O-CB 3.29Å; V22-A420 HydrophobicContact CG2-CB 3.69Å; V22-C422 VanDerWaalsContact CB-SG 3.58Å; V22-C422 VanDerWaalsContact CG1-SG 3.56Å; V22-L429 HydrophobicContact CG2-CD1 4.03Å |
| 23 | E | 98.4 | Very high | 96.5 | Very high | 11 Ų | 11 | 32.5 Ų | 32.5 | 5% | 0.051 | 17% | 0.167 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -145 | 129.8 | 179 | -65 | -87.1 | 145.2 | 0 | 0 | 111.5 | A35 I88 W90 K280 D331 | E23-A35 PolarHBondContact N-O 3.5Å; E23-A35 PolarHBondContact O-N 2.93Å; E23-I88 HydrophobicContact CB-CG1 4.33Å; E23-I88 HydrophobicContact CG-CD1 4.46Å; E23-I88 HydrophobicContact CG-CG1 3.8Å; E23-I88 WeakPolarHBondContact CG-O 3.34Å; E23-W90 PolarHBondContact O-NE1 2.9Å; E23-W90 VanDerWaalsContact O-NE1 3.13Å; E23-K280 WeakPolarHBondContact OE1-CE 3.4Å; E23-K280 IonicContact OE1-NZ 3.47Å; E23-K280 PolarHBondContact OE1-NZ 3.46Å; E23-K280 IonicContact OE2-NZ 3.53Å; E23-K280 PolarHBondContact OE2-NZ 3.24Å; E23-D331 WeakPolarHBondContact CA-OD2 3.42Å |
| 24 | W | 98.5 | Very high | 96.7 | Very high | 6 Ų | 6 | 31.1 Ų | 31.1 | 2% | 0.023 | 16% | 0.16 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -77 | 143.7 | 167.1 | -68.1 | 91.7 | 0 | 0 | 0 | 110.4 | P26 L34 F64 W90 D331 W332 S333 L418 A420 V431 | W24-P26 WeakPolarHBondContact O-CD 3.34Å; W24-L34 HydrophobicContact CD2-CB 4.31Å; W24-L34 HydrophobicContact CD2-CD1 3.68Å; W24-L34 HydrophobicContact CD2-CG 4.47Å; W24-L34 HydrophobicContact CE3-CB 3.96Å; W24-L34 HydrophobicContact CE3-CD1 4.19Å; W24-L34 HydrophobicContact CG-CD1 3.86Å; W24-L34 HydrophobicContact CH2-CB 4.22Å; W24-L34 HydrophobicContact CH2-CD2 4.07Å; W24-L34 HydrophobicContact CZ2-CD1 4.18Å; W24-L34 HydrophobicContact CZ2-CD2 3.9Å; W24-L34 HydrophobicContact CZ2-CG 4.45Å; W24-L34 HydrophobicContact CZ3-CB 3.91Å; W24-F64 HydrophobicContact CH2-CB 3.92Å; W24-F64 HydrophobicContact CH2-CD2 4.1Å; W24-F64 HydrophobicContact CH2-CG 4.14Å; W24-F64 HydrophobicContact CZ3-CB 3.8Å; W24-F64 HydrophobicContact CZ3-CG 4.38Å; W24-W90 VanDerWaalsContact C-CD1 3.5Å; W24-D331 PolarHBondContact N-OD2 2.9Å; W24-W332 VanDerWaalsContact CD1-C 3.46Å; W24-S333 VanDerWaalsContact CD1-N 3.34Å; W24-L418 HydrophobicContact CH2-CD2 3.59Å; W24-L418 HydrophobicContact CH2-CG 4.06Å; W24-L418 HydrophobicContact CZ2-CD1 4.44Å; W24-L418 HydrophobicContact CZ2-CD2 3.92Å; W24-L418 HydrophobicContact CZ2-CG 3.87Å; W24-L418 HydrophobicContact CZ3-CD2 4.07Å; W24-A420 HydrophobicContact CZ2-CB 3.99Å; W24-V431 HydrophobicContact CZ2-CG1 4.42Å |
| 25 | C | 98.1 | Very high | 96.8 | Very high | 0 Ų | 0 | 26.5 Ų | 26.5 | 0% | 0 | 14% | 0.135 | C | C | . | . | trans | -70.9 | 123.8 | 176.8 | -165 | 0 | 0 | 0 | 0 | 110.1 | I27 W30 H31 I33 W90 | C25-I27 VanDerWaalsContact C-N 3.29Å; C25-I27 PolarHBondContact O-N 3.2Å; C25-W30 HydrophobicContact CB-CB 4.1Å; C25-W30 WeakPolarHBondContact CB-O 3.47Å; C25-H31 WeakPolarHBondContact O-CA 3.47Å; C25-H31 PolarHBondContact O-CD2 3.3Å; C25-I33 HydrophobicContact CB-CB 4.05Å; C25-I33 HydrophobicContact CB-CG2 4.48Å; C25-I33 PolarHBondContact N-O 2.84Å; C25-W90 HydrophobicContact CB-CD2 3.95Å; C25-W90 HydrophobicContact CB-CE3 4.45Å; C25-W90 HydrophobicContact CB-CG 4.27Å; C25-W90 HydrophobicContact CB-CZ2 4.1Å | ||
| 26 | P | 96.3 | Very high | 96.9 | Very high | 20 Ų | 20 | 26.5 Ų | 26.5 | 13% | 0.13 | 14% | 0.135 | C | C | . | . | trans | -81.7 | -4.7 | -176.1 | 33.5 | -37 | 0 | 0 | 0 | 113.5 | W24 H31 W90 Q334 | W24-P26 WeakPolarHBondContact O-CD 3.34Å; P26-H31 PolarHBondContact O-CD2 3.3Å; P26-H31 PolarHBondContact O-NE2 3.19Å; P26-W90 HydrophobicContact CG-CB 4.01Å; P26-Q334 PolarHBondContact O-OE1 3.13Å | ||
| 27 | I | 95.8 | Very high | 97 | Very high | 15 Ų | 15 | 21.8 Ų | 21.8 | 8% | 0.077 | 11% | 0.114 | C | C | . | . | S | Bend | trans | -79.9 | 127.1 | -177.8 | -50.2 | -53 | 0 | 0 | 0 | 109.3 | C25 E29 W30 H31 P99 | C25-I27 VanDerWaalsContact C-N 3.29Å; C25-I27 PolarHBondContact O-N 3.2Å; I27-E29 PolarHBondContact O-N 3.17Å; I27-W30 HydrophobicContact CB-CB 4.49Å; I27-W30 CarbonylContact O-C 3.57Å; I27-W30 WeakPolarHBondContact O-CA 3.45Å; I27-W30 PolarHBondContact O-N 3.31Å; I27-H31 VanDerWaalsContact C-CD2 3.43Å; I27-H31 PolarHBondContact O-CD2 3.16Å; I27-H31 PolarHBondContact O-N 2.83Å; I27-P99 HydrophobicContact CB-CG 4.22Å; I27-P99 HydrophobicContact CG1-CB 4.08Å; I27-P99 HydrophobicContact CG1-CG 4.06Å; I27-P99 HydrophobicContact CG2-CG 4.42Å |
| 28 | P | 92.6 | Very high | 97.1 | Very high | 101 Ų | 101 | 20.8 Ų | 20.8 | 66% | 0.656 | 11% | 0.108 | S | C | * | . | G | 310 helix | trans | -50.5 | -44.3 | -167.6 | -33.4 | 37 | 0 | 0 | 0 | 117.3 | W30 H31 | P28-W30 PolarHBondContact O-N 2.99Å; P28-W30 VanDerWaalsContact O-N 3.16Å; P28-H31 WeakPolarHBondContact CA-NE2 3.37Å |
| 29 | E | 92.7 | Very high | 97.2 | Very high | 162 Ų | 162 | 22.4 Ų | 22.4 | 76% | 0.757 | 11% | 0.114 | S | C | * | . | G | 310 helix | trans | -67.1 | -14.3 | 178.8 | -64.5 | 174.9 | 175.7 | 0 | 0 | 113.3 | I27 | I27-E29 PolarHBondContact O-N 3.17Š|
| 30 | W | 95.8 | Very high | 97.1 | Very high | 34 Ų | 34 | 24.9 Ų | 24.9 | 13% | 0.129 | 13% | 0.126 | C | C | . | . | G | 310 helix | trans | -122.9 | 10.3 | -169.8 | -53.5 | 95.8 | 0 | 0 | 0 | 112.9 | C25 I27 P28 N32 I33 P99 L115 E117 C123 | C25-W30 HydrophobicContact CB-CB 4.1Å; C25-W30 WeakPolarHBondContact CB-O 3.47Å; I27-W30 HydrophobicContact CB-CB 4.49Å; I27-W30 CarbonylContact O-C 3.57Å; I27-W30 WeakPolarHBondContact O-CA 3.45Å; I27-W30 PolarHBondContact O-N 3.31Å; P28-W30 PolarHBondContact O-N 2.99Å; P28-W30 VanDerWaalsContact O-N 3.16Å; W30-N32 PolarHBondContact O-N 3.31Å; W30-I33 HydrophobicContact CB-CG1 4.15Å; W30-I33 HydrophobicContact CE3-CD1 4.38Å; W30-I33 HydrophobicContact CE3-CG1 3.84Å; W30-I33 WeakPolarHBondContact O-CB 3.48Å; W30-I33 PolarHBondContact O-N 3.24Å; W30-P99 HydrophobicContact CB-CG 4.33Å; W30-P99 HydrophobicContact CD2-CG 4.28Å; W30-P99 HydrophobicContact CG-CG 3.71Å; W30-L115 HydrophobicContact CD2-CD2 3.74Å; W30-L115 HydrophobicContact CE3-CD2 3.52Å; W30-L115 HydrophobicContact CG-CD2 4.17Å; W30-L115 HydrophobicContact CZ3-CD2 4.09Å; W30-E117 HydrophobicContact CH2-CB 3.9Å; W30-E117 HydrophobicContact CH2-CG 4.38Å; W30-C123 HydrophobicContact CZ3-CB 4.21Å |
| 31 | H | 95.8 | Very high | 96.9 | Very high | 30 Ų | 30 | 28.3 Ų | 28.3 | 14% | 0.139 | 14% | 0.144 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -55.4 | -16 | 178.4 | -74.8 | 179.7 | 0 | 0 | 0 | 115 | C25 P26 I27 P28 S333 Q334 L335 | C25-H31 WeakPolarHBondContact O-CA 3.47Å; C25-H31 PolarHBondContact O-CD2 3.3Å; P26-H31 PolarHBondContact O-CD2 3.3Å; P26-H31 PolarHBondContact O-NE2 3.19Å; I27-H31 VanDerWaalsContact C-CD2 3.43Å; I27-H31 PolarHBondContact O-CD2 3.16Å; I27-H31 PolarHBondContact O-N 2.83Å; P28-H31 WeakPolarHBondContact CA-NE2 3.37Å; H31-S333 PolarHBondContact O-OG 3.31Å; H31-Q334 WeakPolarHBondContact CE1-CB 3.33Å; H31-Q334 PolarHBondContact CE1-OE1 3.47Å; H31-Q334 VanDerWaalsContact CE1-OE1 3.31Å; H31-Q334 WeakPolarHBondContact NE2-CB 2.99Å; H31-Q334 PolarHBondContact NE2-OE1 3.18Å; H31-L335 HydrophobicContact CB-CB 4.28Å; H31-L335 HydrophobicContact CB-CD1 4.38Å |
| 32 | N | 95.3 | Very high | 96.4 | Very high | 42 Ų | 42 | 33.2 Ų | 33.2 | 23% | 0.225 | 17% | 0.166 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -90.9 | -1.5 | 173.8 | 64.4 | 13.9 | 0 | 0 | 0 | 114.5 | W30 F64 L335 | W30-N32 PolarHBondContact O-N 3.31Å; N32-F64 HydrophobicContact CB-CB 4.39Å; N32-F64 WeakPolarHBondContact O-CB 3.24Å; N32-F64 PolarHBondContact O-N 3.49Å; N32-L335 HydrophobicContact CB-CD2 4.4Å |
| 33 | I | 97.9 | Very high | 95.7 | Very high | 0 Ų | 0 | 38 Ų | 38 | 0% | 0 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.9 | 133.2 | 176.9 | -58.8 | -59.4 | 0 | 0 | 0 | 109.8 | C25 W30 L61 F62 K63 L77 W90 L115 | C25-I33 HydrophobicContact CB-CB 4.05Å; C25-I33 HydrophobicContact CB-CG2 4.48Å; C25-I33 PolarHBondContact N-O 2.84Å; W30-I33 HydrophobicContact CB-CG1 4.15Å; W30-I33 HydrophobicContact CE3-CD1 4.38Å; W30-I33 HydrophobicContact CE3-CG1 3.84Å; W30-I33 WeakPolarHBondContact O-CB 3.48Å; W30-I33 PolarHBondContact O-N 3.24Å; I33-L61 HydrophobicContact CG2-CD1 3.57Å; I33-L61 HydrophobicContact CG2-CG 4.39Å; I33-F62 WeakPolarHBondContact CA-O 3.26Å; I33-K63 HydrophobicContact CD1-CB 4.03Å; I33-K63 HydrophobicContact CD1-CD 3.94Å; I33-K63 HydrophobicContact CD1-CG 3.84Å; I33-L77 HydrophobicContact CD1-CD1 4.04Å; I33-W90 HydrophobicContact CG2-CH2 4.21Å; I33-W90 HydrophobicContact CG2-CZ2 3.87Å; I33-L115 HydrophobicContact CG1-CD2 4.21Å; I33-L115 HydrophobicContact CG2-CD2 4.4Å |
| 34 | L | 98.6 | Very high | 94.6 | Very high | 0 Ų | 0 | 39.4 Ų | 39.4 | 0% | 0 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.8 | 129.6 | 178.7 | -178.5 | 60.9 | 0 | 0 | 0 | 109.2 | V22 W24 F62 L74 A420 L429 V431 | V22-L34 HydrophobicContact CG2-CD1 3.35Å; V22-L34 HydrophobicContact CG2-CD2 4.29Å; V22-L34 HydrophobicContact CG2-CG 4Å; W24-L34 HydrophobicContact CD2-CB 4.31Å; W24-L34 HydrophobicContact CD2-CD1 3.68Å; W24-L34 HydrophobicContact CD2-CG 4.47Å; W24-L34 HydrophobicContact CE3-CB 3.96Å; W24-L34 HydrophobicContact CE3-CD1 4.19Å; W24-L34 HydrophobicContact CG-CD1 3.86Å; W24-L34 HydrophobicContact CH2-CB 4.22Å; W24-L34 HydrophobicContact CH2-CD2 4.07Å; W24-L34 HydrophobicContact CZ2-CD1 4.18Å; W24-L34 HydrophobicContact CZ2-CD2 3.9Å; W24-L34 HydrophobicContact CZ2-CG 4.45Å; W24-L34 HydrophobicContact CZ3-CB 3.91Å; L34-F62 HydrophobicContact CB-CB 4.29Å; L34-F62 PolarHBondContact N-O 2.91Å; L34-F62 PolarHBondContact O-N 3Å; L34-L74 HydrophobicContact CB-CD1 4.41Å; L34-L74 HydrophobicContact CD2-CD1 4.03Å; L34-L74 HydrophobicContact CD2-CD2 4.17Å; L34-A420 HydrophobicContact CD1-CB 3.94Å; L34-A420 HydrophobicContact CD2-CB 3.75Å; L34-A420 HydrophobicContact CG-CB 4.49Å; L34-L429 HydrophobicContact CD2-CD2 4.28Å; L34-V431 HydrophobicContact CD2-CG2 4.22Å |
| 35 | A | 98.8 | Very high | 93.3 | Very high | 0 Ų | 0 | 45.5 Ų | 45.5 | 0% | 0 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.2 | 140.3 | 169.2 | 0 | 0 | 0 | 0 | 0 | 109.4 | V22 E23 Y60 I88 W90 L101 | V22-A35 WeakPolarHBondContact CA-O 3.49Å; V22-A35 WeakPolarHBondContact CG2-O 3.39Å; E23-A35 PolarHBondContact N-O 3.5Å; E23-A35 PolarHBondContact O-N 2.93Å; A35-Y60 WeakPolarHBondContact CA-O 3.33Å; A35-I88 HydrophobicContact CB-CD1 3.87Å; A35-W90 HydrophobicContact CB-CZ2 4Å; A35-L101 HydrophobicContact CB-CD1 4.33Å; A35-L101 HydrophobicContact CB-CD2 3.78Å |
| 36 | C | 98.8 | Very high | 92.2 | Very high | 0 Ų | 0 | 53.1 Ų | 53.1 | 0% | 0 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.1 | 130.8 | 175.1 | -174.5 | 0 | 0 | 0 | 0 | 109.5 | T21 Y60 F62 L429 | T21-C36 CarbonylContact O-C 3.56Å; T21-C36 WeakPolarHBondContact O-CA 3.47Å; C36-Y60 PolarHBondContact N-O 3.15Å; C36-Y60 PolarHBondContact O-N 3.36Å; C36-F62 HydrophobicContact CB-CE2 4.07Å; C36-L429 HydrophobicContact CB-CD2 4.06Å |
| 37 | G | 98.8 | Very high | 91 | Very high | 0 Ų | 0 | 53.9 Ų | 53.9 | 0% | 0 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109 | 137.3 | 174.9 | 0 | 0 | 0 | 0 | 0 | 111.1 | D20 T21 | D20-G37 PolarHBondContact N-O 2.81Å; T21-G37 PolarHBondContact N-O 2.83Å; T21-G37 VanDerWaalsContact N-O 3.12Å; T21-G37 PolarHBondContact O-N 3.46Å |
| 38 | T | 98.7 | Very high | 89.8 | Confident | 0 Ų | 0 | 54.4 Ų | 54.4 | 0% | 0 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.2 | 154 | 176 | 66.9 | 0 | 0 | 0 | 0 | 112.3 | L17 S18 G57 R58 Y60 I85 | L17-T38 HydrophobicContact CB-CG2 4.23Å; S18-T38 CarbonylContact O-C 3.59Å; S18-T38 WeakPolarHBondContact O-CA 3.4Å; S18-T38 WeakPolarHBondContact O-CB 3.38Å; T38-G57 VanDerWaalsContact O-CA 3.31Å; T38-G57 WeakPolarHBondContact O-CA 3.17Å; T38-R58 PolarHBondContact N-O 2.9Å; T38-R58 VanDerWaalsContact N-O 3.07Å; T38-R58 PolarHBondContact OG1-N 3.46Å; T38-R58 PolarHBondContact OG1-O 3.46Å; T38-Y60 HydrophobicContact CG2-CD2 4.23Å; T38-Y60 HydrophobicContact CG2-CE2 4.06Å; T38-I85 PolarHBondContact O-N 2.81Å; T38-I85 VanDerWaalsContact O-N 3.09Å |
| 39 | Y | 97.6 | Very high | 88.6 | Confident | 37 Ų | 37 | 55.5 Ų | 55.5 | 15% | 0.145 | 31% | 0.31 | C | S | . | . | trans | -130.9 | 125 | 175.4 | 176.4 | -73.7 | 0 | 0 | 0 | 108.8 | S18 L41 R55 A84 L86 F424 | S18-Y39 VanDerWaalsContact CB-O 3.31Å; S18-Y39 WeakPolarHBondContact CB-O 3.49Å; S18-Y39 PolarHBondContact O-N 3.15Å; Y39-L41 HydrophobicContact CE1-CD1 4.47Å; Y39-L41 HydrophobicContact CE1-CG 3.97Å; Y39-R55 HydrophobicContact CE2-CG 4.32Å; Y39-R55 PolarHBondContact OH-NE 3.41Å; Y39-A84 HydrophobicContact CD2-CB 3.34Å; Y39-A84 HydrophobicContact CE2-CB 3.84Å; Y39-A84 HydrophobicContact CG-CB 3.8Å; Y39-L86 HydrophobicContact CD2-CD1 4.12Å; Y39-L86 HydrophobicContact CD2-CG 4.26Å; Y39-L86 HydrophobicContact CE2-CD1 4.25Å; Y39-L86 HydrophobicContact CE2-CG 4.42Å; Y39-F424 HydrophobicContact CD1-CE2 4.16Å; Y39-F424 AromaticContact CD1-CZ 3.92Å; Y39-F424 HydrophobicContact CD1-CZ 3.92Å | ||
| 40 | Q | 96.1 | Very high | 87.5 | Confident | 52 Ų | 52 | 57 Ų | 57 | 24% | 0.243 | 32% | 0.317 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.8 | 132.4 | 175.5 | -177.8 | 63.4 | 56.3 | 0 | 0 | 110.7 | L17 S18 I56 | L17-Q40 HydrophobicContact CB-CB 4.19Å; L17-Q40 HydrophobicContact CD2-CB 3.82Å; L17-Q40 HydrophobicContact CD2-CG 3.9Å; L17-Q40 HydrophobicContact CG-CB 4.49Å; S18-Q40 PolarHBondContact OG-OE1 2.85Å; Q40-I56 HydrophobicContact CB-CG1 3.92Å; Q40-I56 HydrophobicContact CG-CG1 4.31Å; Q40-I56 PolarHBondContact N-O 3.41Å; Q40-I56 PolarHBondContact O-N 2.77Å |
| 41 | L | 93.3 | Very high | 86.3 | Confident | 85 Ų | 85 | 59.6 Ų | 59.6 | 45% | 0.445 | 33% | 0.333 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.2 | 123.8 | 165 | -71.8 | 169.3 | 0 | 0 | 0 | 108.8 | Y39 A53 T54 R55 | Y39-L41 HydrophobicContact CE1-CD1 4.47Å; Y39-L41 HydrophobicContact CE1-CG 3.97Å; L41-A53 HydrophobicContact CB-CB 4.16Å; L41-A53 HydrophobicContact CD2-CB 4.04Å; L41-T54 WeakPolarHBondContact CA-O 3.5Å; L41-R55 HydrophobicContact CD2-CG 3.61Å |
| 42 | Q | 88.3 | Confident | 85.4 | Confident | 102 Ų | 102 | 62.6 Ų | 62.6 | 48% | 0.477 | 36% | 0.363 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122 | 122.9 | 176.8 | 178.9 | 172.8 | 80 | 0 | 0 | 109.6 | A53 T54 I56 | Q42-A53 CarbonylContact O-C 3.55Å; Q42-A53 WeakPolarHBondContact O-CA 3.41Å; Q42-T54 PolarHBondContact N-O 3Å; Q42-T54 PolarHBondContact O-N 3.11Å; Q42-T54 PolarHBondContact O-OG1 3.08Å; Q42-T54 VanDerWaalsContact O-OG1 3.12Å; Q42-I56 HydrophobicContact CB-CD1 3.99Å; Q42-I56 HydrophobicContact CB-CG1 4.28Å |
| 43 | K | 84.2 | Confident | 84.8 | Confident | 101 Ų | 101 | 62.2 Ų | 62.2 | 44% | 0.439 | 37% | 0.366 | S | S | . | . | trans | -85.6 | 148.3 | 163 | -70.1 | -165.4 | 169.7 | -158.5 | 0 | 109.3 | A47 P49 D51 A53 | K43-A47 HydrophobicContact CB-CB 4.12Å; K43-P49 PolarHBondContact NZ-O 2.81Å; K43-D51 VanDerWaalsContact CE-O 3.32Å; K43-D51 WeakPolarHBondContact CE-O 3.34Å; K43-D51 PolarHBondContact NZ-O 3.19Å; K43-A53 HydrophobicContact CG-CB 3.86Å | ||
| 44 | G | 75.1 | Confident | 84.5 | Confident | 40 Ų | 40 | 66 Ų | 66 | 41% | 0.412 | 39% | 0.389 | S | S | . | . | trans | -63.5 | 159.6 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | D46 A47 | G44-D46 VanDerWaalsContact C-N 3.27Å; G44-D46 PolarHBondContact O-N 3.11Å; G44-A47 WeakPolarHBondContact O-CB 3.45Å; G44-A47 PolarHBondContact O-N 2.7Å; G44-A47 VanDerWaalsContact O-N 3.1Å | ||
| 45 | P | 70.8 | Confident | 84.3 | Confident | 134 Ų | 134 | 71 Ų | 71 | 87% | 0.87 | 41% | 0.408 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.2 | -32.1 | -177.2 | 25.6 | -34.4 | 0 | 0 | 0 | 113.3 | ||
| 46 | D | 75.8 | Confident | 84.2 | Confident | 160 Ų | 160 | 73.2 Ų | 73.2 | 86% | 0.856 | 42% | 0.419 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -100.9 | 10.3 | 176.8 | -54.4 | -70.1 | 0 | 0 | 0 | 112.9 | G44 | G44-D46 VanDerWaalsContact C-N 3.27Å; G44-D46 PolarHBondContact O-N 3.11Å |
| 47 | A | 70.6 | Confident | 84.2 | Confident | 36 Ų | 36 | 73.3 Ų | 73.3 | 30% | 0.298 | 42% | 0.42 | S | S | . | . | trans | -75.8 | 132.4 | -171.4 | 0 | 0 | 0 | 0 | 0 | 112.5 | K43 G44 D51 | K43-A47 HydrophobicContact CB-CB 4.12Å; G44-A47 WeakPolarHBondContact O-CB 3.45Å; G44-A47 PolarHBondContact O-N 2.7Å; G44-A47 VanDerWaalsContact O-N 3.1Å; A47-D51 WeakPolarHBondContact CA-OD2 3.45Å; A47-D51 HydrophobicContact CB-CB 3.84Å | ||
| 48 | G | 70.8 | Confident | 84.2 | Confident | 26 Ų | 26 | 74.8 Ų | 74.8 | 27% | 0.268 | 43% | 0.426 | S | S | . | . | trans | -72.8 | 174.4 | 176.5 | 0 | 0 | 0 | 0 | 0 | 113.9 | E50 D51 | G48-E50 PolarHBondContact O-N 2.92Å; G48-D51 PolarHBondContact N-OD2 2.79Å; G48-D51 PolarHBondContact O-N 3.16Å | ||
| 49 | P | 66.7 | Low | 84.2 | Confident | 124 Ų | 124 | 74.9 Ų | 74.9 | 81% | 0.805 | 43% | 0.426 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.7 | -33.2 | 176.2 | -25.1 | 35.3 | 0 | 0 | 0 | 113.4 | K43 | K43-P49 PolarHBondContact NZ-O 2.81Š|
| 50 | E | 70 | Confident | 84.2 | Confident | 195 Ų | 195 | 73.3 Ų | 73.3 | 91% | 0.911 | 42% | 0.42 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -88.4 | -12.9 | -177.6 | -60 | -178.4 | 170.4 | 0 | 0 | 113.7 | G48 | G48-E50 PolarHBondContact O-N 2.92Š|
| 51 | D | 71.5 | Confident | 84.4 | Confident | 88 Ų | 88 | 70.9 Ų | 70.9 | 47% | 0.471 | 41% | 0.409 | S | S | . | . | S | Bend | trans | -68.9 | 134.7 | -178 | -81.4 | -45 | 0 | 0 | 0 | 111.9 | K43 A47 G48 A53 | K43-D51 VanDerWaalsContact CE-O 3.32Å; K43-D51 WeakPolarHBondContact CE-O 3.34Å; K43-D51 PolarHBondContact NZ-O 3.19Å; A47-D51 WeakPolarHBondContact CA-OD2 3.45Å; A47-D51 HydrophobicContact CB-CB 3.84Å; G48-D51 PolarHBondContact N-OD2 2.79Å; G48-D51 PolarHBondContact O-N 3.16Å; D51-A53 PolarHBondContact O-N 2.98Å |
| 52 | A | 75.6 | Confident | 84.6 | Confident | 93 Ų | 93 | 67 Ų | 67 | 77% | 0.769 | 39% | 0.388 | S | S | * | . | P | Polyproline II helix | trans | -65.9 | 123.7 | -177.6 | 0 | 0 | 0 | 0 | 0 | 111.3 | ||
| 53 | A | 83.6 | Confident | 84.9 | Confident | 34 Ų | 34 | 64.1 Ų | 64.1 | 28% | 0.281 | 37% | 0.374 | S | S | . | . | P | Polyproline II helix | trans | -68.8 | 132.6 | 174.3 | 0 | 0 | 0 | 0 | 0 | 110.7 | L41 Q42 K43 D51 | L41-A53 HydrophobicContact CB-CB 4.16Å; L41-A53 HydrophobicContact CD2-CB 4.04Å; Q42-A53 CarbonylContact O-C 3.55Å; Q42-A53 WeakPolarHBondContact O-CA 3.41Å; K43-A53 HydrophobicContact CG-CB 3.86Å; D51-A53 PolarHBondContact O-N 2.98Å |
| 54 | T | 90.4 | Very high | 85.4 | Confident | 78 Ų | 78 | 59.7 Ų | 59.7 | 48% | 0.479 | 36% | 0.355 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.8 | 146.2 | 171.8 | 60.1 | 0 | 0 | 0 | 0 | 109.9 | L41 Q42 | L41-T54 WeakPolarHBondContact CA-O 3.5Å; Q42-T54 PolarHBondContact N-O 3Å; Q42-T54 PolarHBondContact O-N 3.11Å; Q42-T54 PolarHBondContact O-OG1 3.08Å; Q42-T54 VanDerWaalsContact O-OG1 3.12Å |
| 55 | R | 95.3 | Very high | 86.1 | Confident | 107 Ų | 107 | 64.7 Ų | 64.7 | 40% | 0.404 | 36% | 0.362 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99 | 94.5 | 177 | -75.2 | -178.4 | 178.2 | 104.9 | -4.9 | 109.1 | Y39 L41 A84 A106 | Y39-R55 HydrophobicContact CE2-CG 4.32Å; Y39-R55 PolarHBondContact OH-NE 3.41Å; L41-R55 HydrophobicContact CD2-CG 3.61Å; R55-A84 HydrophobicContact CB-CB 3.76Å; R55-A84 PolarHBondContact O-N 3.46Å; R55-A106 HydrophobicContact CB-CB 3.59Å; R55-A106 HydrophobicContact CG-CB 4.22Å |
| 56 | I | 97.3 | Very high | 86.4 | Confident | 45 Ų | 45 | 62.4 Ų | 62.4 | 23% | 0.231 | 34% | 0.339 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.4 | 157.5 | 177 | 68.5 | 173.1 | 0 | 0 | 0 | 110.6 | L17 Q40 Q42 A84 | L17-I56 HydrophobicContact CD2-CD1 4.06Å; L17-I56 HydrophobicContact CD2-CG1 4.49Å; Q40-I56 HydrophobicContact CB-CG1 3.92Å; Q40-I56 HydrophobicContact CG-CG1 4.31Å; Q40-I56 PolarHBondContact N-O 3.41Å; Q40-I56 PolarHBondContact O-N 2.77Å; Q42-I56 HydrophobicContact CB-CD1 3.99Å; Q42-I56 HydrophobicContact CB-CG1 4.28Å; I56-A84 WeakPolarHBondContact O-CA 3.47Å; I56-A84 VanDerWaalsContact O-CB 3.24Å; I56-A84 WeakPolarHBondContact O-CB 3.44Å |
| 57 | G | 97.9 | Very high | 86 | Confident | 2 Ų | 2 | 62.5 Ų | 62.5 | 2% | 0.021 | 34% | 0.335 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -161.6 | -176.8 | 177.4 | 0 | 0 | 0 | 0 | 0 | 111.8 | T38 T82 | T38-G57 VanDerWaalsContact O-CA 3.31Å; T38-G57 WeakPolarHBondContact O-CA 3.17Å; G57-T82 CarbonylContact C-O 3.57Å; G57-T82 PolarHBondContact N-O 3.32Å; G57-T82 PolarHBondContact O-N 2.85Å; G57-T82 PolarHBondContact O-OG1 2.97Å |
| 58 | R | 98.5 | Very high | 85.4 | Confident | 32 Ų | 32 | 62.7 Ų | 62.7 | 12% | 0.121 | 34% | 0.34 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -153.1 | 132.6 | -179.5 | -176.9 | 177.5 | -74.2 | 159.8 | -0.7 | 110.2 | E16 L17 T38 Y60 R79 I80 D81 I85 | E16-R58 IonicContact OE1-NH1 3.5Å; E16-R58 IonicContact OE2-CZ 2.79Å; E16-R58 IonicContact OE2-NH1 3.47Å; E16-R58 PolarHBondContact OE2-NH1 3.02Å; L17-R58 HydrophobicContact CD1-CB 4Å; T38-R58 PolarHBondContact N-O 2.9Å; T38-R58 VanDerWaalsContact N-O 3.07Å; T38-R58 PolarHBondContact OG1-N 3.46Å; T38-R58 PolarHBondContact OG1-O 3.46Å; R58-Y60 HydrophobicContact CB-CD2 4.38Å; R58-Y60 HydrophobicContact CB-CE2 4.05Å; R58-Y60 VanDerWaalsContact CD-OH 3.3Å; R58-Y60 WeakPolarHBondContact CD-OH 3.46Å; R58-Y60 HydrophobicContact CG-CD2 3.94Å; R58-Y60 HydrophobicContact CG-CE2 3.67Å; R58-Y60 PolarHBondContact NH1-OH 3.4Å; R58-R79 HydrophobicContact CG-CB 4.2Å; R58-I80 CarbonylContact C-O 3.53Å; R58-I80 VanDerWaalsContact CA-O 3.27Å; R58-I80 WeakPolarHBondContact CA-O 3.38Å; R58-I80 WeakPolarHBondContact CG-O 3.4Å; R58-D81 IonicContact CZ-OD1 3.1Å; R58-D81 IonicContact NE-OD1 3.78Å; R58-D81 PolarHBondContact NE-OD1 3.08Å; R58-D81 IonicContact NH2-OD1 3.43Å; R58-D81 PolarHBondContact NH2-OD1 2.81Å; R58-I85 WeakPolarHBondContact O-CD1 3.36Å |
| 59 | L | 98.8 | Very high | 84.5 | Confident | 2 Ų | 2 | 68.1 Ų | 68.1 | 1% | 0.01 | 37% | 0.371 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.5 | 115.4 | 169.8 | -177.7 | 60.4 | 0 | 0 | 0 | 109.1 | R79 I80 I85 I88 L101 M103 L125 | L59-R79 CarbonylContact O-C 3.58Å; L59-R79 WeakPolarHBondContact O-CA 3.45Å; L59-I80 HydrophobicContact CB-CB 4.48Å; L59-I80 PolarHBondContact N-O 2.7Å; L59-I80 PolarHBondContact O-N 3.47Å; L59-I85 HydrophobicContact CB-CD1 3.88Å; L59-I85 HydrophobicContact CD1-CD1 4.44Å; L59-I88 HydrophobicContact CD1-CG2 4.46Å; L59-L101 HydrophobicContact CD1-CD2 4.12Å; L59-L101 HydrophobicContact CD2-CD2 4.15Å; L59-M103 HydrophobicContact CB-SD 4.18Å; L59-M103 HydrophobicContact CD1-SD 4.35Å; L59-M103 HydrophobicContact CD2-SD 3.9Å; L59-M103 HydrophobicContact CG-SD 4.38Å; L59-L125 HydrophobicContact CD2-CD1 3.55Å; L59-L125 HydrophobicContact CG-CD1 4.14Å |
| 60 | Y | 98.7 | Very high | 84.4 | Confident | 3 Ų | 3 | 70.5 Ų | 70.5 | 1% | 0.012 | 37% | 0.373 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.5 | 139.7 | 171.9 | -74.4 | -93.3 | 0 | 0 | 0 | 110.8 | T15 A35 C36 T38 R58 F62 E76 R79 | T15-Y60 HydrophobicContact CG2-CE2 4.45Å; T15-Y60 WeakPolarHBondContact O-CE2 3.39Å; T15-Y60 PolarHBondContact O-OH 2.76Å; A35-Y60 WeakPolarHBondContact CA-O 3.33Å; C36-Y60 PolarHBondContact N-O 3.15Å; C36-Y60 PolarHBondContact O-N 3.36Å; T38-Y60 HydrophobicContact CG2-CD2 4.23Å; T38-Y60 HydrophobicContact CG2-CE2 4.06Å; R58-Y60 HydrophobicContact CB-CD2 4.38Å; R58-Y60 HydrophobicContact CB-CE2 4.05Å; R58-Y60 VanDerWaalsContact CD-OH 3.3Å; R58-Y60 WeakPolarHBondContact CD-OH 3.46Å; R58-Y60 HydrophobicContact CG-CD2 3.94Å; R58-Y60 HydrophobicContact CG-CE2 3.67Å; R58-Y60 PolarHBondContact NH1-OH 3.4Å; Y60-F62 HydrophobicContact CD1-CE1 4.36Å; Y60-F62 HydrophobicContact CD1-CE2 4.29Å; Y60-F62 AromaticContact CD1-CZ 3.73Å; Y60-F62 HydrophobicContact CD1-CZ 3.73Å; Y60-F62 HydrophobicContact CG-CE2 4.06Å; Y60-F62 AromaticContact CG-CZ 3.93Å; Y60-F62 HydrophobicContact CG-CZ 3.93Å; Y60-E76 HydrophobicContact CD1-CG 4.32Å; Y60-R79 HydrophobicContact CD1-CB 4.08Å; Y60-R79 HydrophobicContact CE1-CB 4.13Å |
| 61 | L | 98.6 | Very high | 84.1 | Confident | 1 Ų | 1 | 65.8 Ų | 65.8 | 1% | 0.005 | 36% | 0.36 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.9 | 127.6 | 168.7 | -172.7 | 76.4 | 0 | 0 | 0 | 109.3 | I33 L77 Q78 W90 L115 L125 | I33-L61 HydrophobicContact CG2-CD1 3.57Å; I33-L61 HydrophobicContact CG2-CG 4.39Å; L61-L77 HydrophobicContact CD2-CB 4.08Å; L61-L77 HydrophobicContact CD2-CD1 3.87Å; L61-L77 HydrophobicContact CG-CB 4.34Å; L61-L77 HydrophobicContact CG-CD1 4.18Å; L61-L77 PolarHBondContact O-N 2.87Å; L61-Q78 HydrophobicContact CB-CB 4.18Å; L61-Q78 PolarHBondContact N-O 3.31Å; L61-Q78 PolarHBondContact O-N 2.84Å; L61-W90 HydrophobicContact CD1-CH2 4.32Å; L61-W90 HydrophobicContact CD1-CZ2 4.26Å; L61-L115 HydrophobicContact CD1-CD1 4.3Å; L61-L115 HydrophobicContact CD2-CD1 3.8Å; L61-L125 HydrophobicContact CD1-CD1 4.23Å; L61-L125 HydrophobicContact CD1-CD2 4.44Å; L61-L125 HydrophobicContact CD1-CG 4.1Å; L61-L125 HydrophobicContact CD2-CG 4.25Å |
| 62 | F | 97.8 | Very high | 84.6 | Confident | 3 Ų | 3 | 65.4 Ų | 65.4 | 1% | 0.013 | 36% | 0.363 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.4 | 157.7 | 179.8 | -58.4 | -85.4 | 0 | 0 | 0 | 112.3 | L13 I33 L34 C36 Y60 L74 S75 E76 L429 | L13-F62 HydrophobicContact CD2-CD1 4.34Å; L13-F62 HydrophobicContact CD2-CE1 3.74Å; L13-F62 HydrophobicContact CD2-CZ 4.28Å; I33-F62 WeakPolarHBondContact CA-O 3.26Å; L34-F62 HydrophobicContact CB-CB 4.29Å; L34-F62 PolarHBondContact N-O 2.91Å; L34-F62 PolarHBondContact O-N 3Å; C36-F62 HydrophobicContact CB-CE2 4.07Å; Y60-F62 HydrophobicContact CD1-CE1 4.36Å; Y60-F62 HydrophobicContact CD1-CE2 4.29Å; Y60-F62 AromaticContact CD1-CZ 3.73Å; Y60-F62 HydrophobicContact CD1-CZ 3.73Å; Y60-F62 HydrophobicContact CG-CE2 4.06Å; Y60-F62 AromaticContact CG-CZ 3.93Å; Y60-F62 HydrophobicContact CG-CZ 3.93Å; F62-L74 HydrophobicContact CB-CD1 3.64Å; F62-L74 HydrophobicContact CB-CD2 3.86Å; F62-L74 HydrophobicContact CB-CG 3.65Å; F62-L74 HydrophobicContact CD1-CD2 3.64Å; F62-L74 HydrophobicContact CD1-CG 3.91Å; F62-L74 HydrophobicContact CD2-CD2 4Å; F62-L74 HydrophobicContact CE1-CD2 4.15Å; F62-L74 HydrophobicContact CE2-CD2 4.42Å; F62-L74 HydrophobicContact CG-CD1 4.33Å; F62-L74 HydrophobicContact CG-CD2 3.58Å; F62-L74 HydrophobicContact CG-CG 3.88Å; F62-S75 CarbonylContact C-O 3.58Å; F62-S75 WeakPolarHBondContact CA-O 3.38Å; F62-E76 HydrophobicContact CD1-CB 3.95Å; F62-E76 HydrophobicContact CD1-CG 4.32Å; F62-E76 HydrophobicContact CE1-CB 3.93Å; F62-E76 HydrophobicContact CE1-CG 4.1Å; F62-L429 HydrophobicContact CD2-CD2 3.99Å; F62-L429 HydrophobicContact CE2-CD2 3.43Å; F62-L429 VanDerWaalsContact CE2-CD2 3.43Å; F62-L429 HydrophobicContact CZ-CD2 3.95Å |
| 63 | K | 95.4 | Very high | 85.3 | Confident | 42 Ų | 42 | 62.5 Ų | 62.5 | 18% | 0.183 | 34% | 0.336 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.5 | 121.1 | 169.7 | -166.2 | 160.3 | -167.5 | 165.5 | 0 | 109.9 | I33 S75 L77 E117 C123 | I33-K63 HydrophobicContact CD1-CB 4.03Å; I33-K63 HydrophobicContact CD1-CD 3.94Å; I33-K63 HydrophobicContact CD1-CG 3.84Å; K63-S75 PolarHBondContact N-O 2.88Å; K63-S75 PolarHBondContact O-N 3.12Å; K63-S75 PolarHBondContact O-OG 3.17Å; K63-S75 VanDerWaalsContact O-OG 3.11Å; K63-L77 HydrophobicContact CB-CD1 3.88Å; K63-L77 HydrophobicContact CB-CD2 3.99Å; K63-L77 HydrophobicContact CB-CG 3.95Å; K63-L77 HydrophobicContact CD-CD1 4.41Å; K63-E117 IonicContact NZ-OE1 2.77Å; K63-C123 PolarHBondContact NZ-SG 3.25Å |
| 64 | F | 94.9 | Very high | 85.8 | Confident | 9 Ų | 9 | 61 Ų | 61 | 4% | 0.039 | 32% | 0.323 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.7 | 145.6 | 173.4 | -175.4 | -93.3 | 0 | 0 | 0 | 111 | L10 W24 N32 Q66 P73 L74 L335 L337 L418 V431 | L10-F64 HydrophobicContact CD1-CE2 4.18Å; L10-F64 HydrophobicContact CD1-CZ 4.2Å; W24-F64 HydrophobicContact CH2-CB 3.92Å; W24-F64 HydrophobicContact CH2-CD2 4.1Å; W24-F64 HydrophobicContact CH2-CG 4.14Å; W24-F64 HydrophobicContact CZ3-CB 3.8Å; W24-F64 HydrophobicContact CZ3-CG 4.38Å; N32-F64 HydrophobicContact CB-CB 4.39Å; N32-F64 WeakPolarHBondContact O-CB 3.24Å; N32-F64 PolarHBondContact O-N 3.49Å; F64-Q66 HydrophobicContact CE1-CB 4.33Å; F64-P73 CarbonylContact C-O 3.55Å; F64-P73 WeakPolarHBondContact CA-O 3.29Å; F64-P73 HydrophobicContact CD2-CB 4.15Å; F64-P73 HydrophobicContact CE2-CB 3.73Å; F64-P73 HydrophobicContact CE2-CG 4.31Å; F64-P73 HydrophobicContact CZ-CB 4.24Å; F64-L74 HydrophobicContact CB-CD1 4.17Å; F64-L74 HydrophobicContact CD2-CD1 4.47Å; F64-L335 HydrophobicContact CD1-CD2 3.54Å; F64-L335 HydrophobicContact CE1-CD2 3.85Å; F64-L337 HydrophobicContact CE1-CD2 4.38Å; F64-L418 HydrophobicContact CD1-CD2 3.73Å; F64-L418 HydrophobicContact CD2-CD1 4.37Å; F64-L418 HydrophobicContact CD2-CD2 3.96Å; F64-L418 HydrophobicContact CE1-CD2 3.65Å; F64-L418 HydrophobicContact CE2-CD1 3.71Å; F64-L418 HydrophobicContact CE2-CD2 3.88Å; F64-L418 HydrophobicContact CE2-CG 4.47Å; F64-L418 HydrophobicContact CG-CD2 3.89Å; F64-L418 HydrophobicContact CZ-CD1 3.83Å; F64-L418 HydrophobicContact CZ-CD2 3.73Å; F64-L418 HydrophobicContact CZ-CG 4.46Å; F64-V431 HydrophobicContact CD2-CG1 4.21Å; F64-V431 HydrophobicContact CE2-CG1 4.02Å |
| 65 | R | 89.9 | Confident | 85.9 | Confident | 145 Ų | 145 | 58.6 Ų | 58.6 | 55% | 0.547 | 31% | 0.309 | S | S | . | . | trans | -136.1 | 118.7 | -178.9 | -53.2 | -176.2 | -165.8 | -144.4 | 2.4 | 108.6 | Q67 P73 S75 | R65-Q67 PolarHBondContact O-N 3.13Å; R65-P73 PolarHBondContact N-O 3.29Å; R65-S75 PolarHBondContact NE-OG 2.69Å; R65-S75 VanDerWaalsContact NE-OG 3.08Å; R65-S75 PolarHBondContact NH2-OG 2.74Å | ||
| 66 | Q | 76.4 | Confident | 86 | Confident | 85 Ų | 85 | 57.3 Ų | 57.3 | 40% | 0.397 | 31% | 0.308 | S | S | . | . | S | Bend | trans | -69.6 | -30.2 | -167.8 | -168.9 | 164.7 | -18.3 | 0 | 0 | 113.9 | F64 L337 E338 | F64-Q66 HydrophobicContact CE1-CB 4.33Å; Q66-L337 HydrophobicContact CG-CD2 4.49Å; Q66-E338 PolarHBondContact NE2-O 3.23Å |
| 67 | Q | 67.3 | Low | 85.9 | Confident | 163 Ų | 163 | 57.8 Ų | 57.8 | 76% | 0.762 | 31% | 0.311 | S | S | * | . | trans | -146.5 | 143.5 | 174.1 | -66.4 | -171.5 | -4.7 | 0 | 0 | 112.5 | R65 | R65-Q67 PolarHBondContact O-N 3.13Š| ||
| 68 | G | 57.7 | Low | 85.9 | Confident | 40 Ų | 40 | 60 Ų | 60 | 41% | 0.412 | 32% | 0.321 | S | S | . | . | trans | 178.9 | 110.1 | 173.1 | 0 | 0 | 0 | 0 | 0 | 109.9 | M70 C71 | G68-M70 PolarHBondContact O-N 3.08Å; G68-C71 PolarHBondContact O-N 3.21Å | ||
| 69 | P | 53.1 | Low | 85.9 | Confident | 140 Ų | 140 | 62.9 Ų | 62.9 | 91% | 0.909 | 33% | 0.331 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.2 | 0.4 | -155 | 26.2 | -36.3 | 0 | 0 | 0 | 117 | ||
| 70 | M | 63 | Low | 85.9 | Confident | 174 Ų | 174 | 65 Ų | 65 | 86% | 0.857 | 34% | 0.342 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -140.1 | 12.5 | -177.2 | -69.1 | -63.2 | -62 | 0 | 0 | 113.3 | G68 | G68-M70 PolarHBondContact O-N 3.08Š|
| 71 | C | 65.1 | Low | 85.8 | Confident | 95 Ų | 95 | 70.2 Ų | 70.2 | 64% | 0.642 | 37% | 0.37 | S | S | * | . | S | Bend | trans | -128.6 | 146 | -173.6 | -63.4 | 0 | 0 | 0 | 0 | 112.2 | G68 | G68-C71 PolarHBondContact O-N 3.21Š|
| 72 | P | 81.3 | Confident | 85.8 | Confident | 80 Ų | 80 | 71.2 Ų | 71.2 | 52% | 0.519 | 38% | 0.376 | S | S | . | . | trans | -57.4 | 140.3 | 166.3 | 22 | -30.5 | 0 | 0 | 0 | 110.9 | Q11 L74 | Q11-P72 HydrophobicContact CG-CB 4.5Å; P72-L74 VanDerWaalsContact C-N 3.3Å; P72-L74 PolarHBondContact O-N 3.33Å | ||
| 73 | P | 90.4 | Very high | 85.8 | Confident | 32 Ų | 32 | 73.1 Ų | 73.1 | 21% | 0.208 | 39% | 0.389 | C | S | . | . | S | Bend | trans | -66.8 | -28.1 | -177.1 | 26.4 | -35.8 | 0 | 0 | 0 | 113.4 | L10 Q11 F64 R65 | L10-P73 HydrophobicContact CB-CG 4.37Å; Q11-P73 HydrophobicContact CB-CG 4.11Å; F64-P73 CarbonylContact C-O 3.55Å; F64-P73 WeakPolarHBondContact CA-O 3.29Å; F64-P73 HydrophobicContact CD2-CB 4.15Å; F64-P73 HydrophobicContact CE2-CB 3.73Å; F64-P73 HydrophobicContact CE2-CG 4.31Å; F64-P73 HydrophobicContact CZ-CB 4.24Å; R65-P73 PolarHBondContact N-O 3.29Å |
| 74 | L | 93.9 | Very high | 85.9 | Confident | 4 Ų | 4 | 71.1 Ų | 71.1 | 2% | 0.021 | 38% | 0.38 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.3 | 116.6 | 176.9 | -161.8 | 77.7 | 0 | 0 | 0 | 110.5 | Q11 L13 L34 F62 F64 P72 L429 V431 | Q11-L74 PolarHBondContact NE2-O 3.27Å; Q11-L74 VanDerWaalsContact OE1-CB 3.25Å; L13-L74 HydrophobicContact CD1-CB 4.38Å; L13-L74 HydrophobicContact CD1-CD2 3.57Å; L13-L74 HydrophobicContact CD2-CD2 3.9Å; L13-L74 HydrophobicContact CG-CD2 4.43Å; L34-L74 HydrophobicContact CB-CD1 4.41Å; L34-L74 HydrophobicContact CD2-CD1 4.03Å; L34-L74 HydrophobicContact CD2-CD2 4.17Å; F62-L74 HydrophobicContact CB-CD1 3.64Å; F62-L74 HydrophobicContact CB-CD2 3.86Å; F62-L74 HydrophobicContact CB-CG 3.65Å; F62-L74 HydrophobicContact CD1-CD2 3.64Å; F62-L74 HydrophobicContact CD1-CG 3.91Å; F62-L74 HydrophobicContact CD2-CD2 4Å; F62-L74 HydrophobicContact CE1-CD2 4.15Å; F62-L74 HydrophobicContact CE2-CD2 4.42Å; F62-L74 HydrophobicContact CG-CD1 4.33Å; F62-L74 HydrophobicContact CG-CD2 3.58Å; F62-L74 HydrophobicContact CG-CG 3.88Å; F64-L74 HydrophobicContact CB-CD1 4.17Å; F64-L74 HydrophobicContact CD2-CD1 4.47Å; P72-L74 VanDerWaalsContact C-N 3.3Å; P72-L74 PolarHBondContact O-N 3.33Å; L74-L429 HydrophobicContact CD2-CD2 4.02Å; L74-V431 HydrophobicContact CD1-CG2 4.48Å; L74-V431 HydrophobicContact CD2-CG2 3.96Å |
| 75 | S | 93.8 | Very high | 86.1 | Confident | 26 Ų | 26 | 70.7 Ų | 70.7 | 18% | 0.182 | 38% | 0.378 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.8 | 128.3 | 173.5 | 59 | 0 | 0 | 0 | 0 | 111.5 | F62 K63 R65 | F62-S75 CarbonylContact C-O 3.58Å; F62-S75 WeakPolarHBondContact CA-O 3.38Å; K63-S75 PolarHBondContact N-O 2.88Å; K63-S75 PolarHBondContact O-N 3.12Å; K63-S75 PolarHBondContact O-OG 3.17Å; K63-S75 VanDerWaalsContact O-OG 3.11Å; R65-S75 PolarHBondContact NE-OG 2.69Å; R65-S75 VanDerWaalsContact NE-OG 3.08Å; R65-S75 PolarHBondContact NH2-OG 2.74Å |
| 76 | E | 96.1 | Very high | 86.5 | Confident | 81 Ų | 81 | 64.8 Ų | 64.8 | 38% | 0.379 | 36% | 0.358 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -62.1 | 135.9 | 170.8 | -165.3 | -174.8 | 130.1 | 0 | 0 | 110 | Y60 F62 R79 | Y60-E76 HydrophobicContact CD1-CG 4.32Å; F62-E76 HydrophobicContact CD1-CB 3.95Å; F62-E76 HydrophobicContact CD1-CG 4.32Å; F62-E76 HydrophobicContact CE1-CB 3.93Å; F62-E76 HydrophobicContact CE1-CG 4.1Å; E76-R79 WeakPolarHBondContact OE1-CG 3.39Å; E76-R79 IonicContact OE1-CZ 3.2Å; E76-R79 IonicContact OE1-NE 2.71Å; E76-R79 PolarHBondContact OE1-NE 3.47Å; E76-R79 IonicContact OE1-NH2 2.75Å; E76-R79 IonicContact OE2-CZ 2.79Å; E76-R79 IonicContact OE2-NE 2.79Å; E76-R79 PolarHBondContact OE2-NE 3.43Å; E76-R79 IonicContact OE2-NH2 3.97Å; E76-R79 PolarHBondContact OE2-NH2 3.27Å |
| 77 | L | 96.4 | Very high | 87.6 | Confident | 55 Ų | 55 | 60.7 Ų | 60.7 | 29% | 0.288 | 34% | 0.339 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.8 | -38.8 | 172.9 | -65.1 | -177.5 | 0 | 0 | 0 | 111.6 | I33 L61 K63 C123 | I33-L77 HydrophobicContact CD1-CD1 4.04Å; L61-L77 HydrophobicContact CD2-CB 4.08Å; L61-L77 HydrophobicContact CD2-CD1 3.87Å; L61-L77 HydrophobicContact CG-CB 4.34Å; L61-L77 HydrophobicContact CG-CD1 4.18Å; L61-L77 PolarHBondContact O-N 2.87Å; K63-L77 HydrophobicContact CB-CD1 3.88Å; K63-L77 HydrophobicContact CB-CD2 3.99Å; K63-L77 HydrophobicContact CB-CG 3.95Å; K63-L77 HydrophobicContact CD-CD1 4.41Å; L77-C123 HydrophobicContact CD1-CB 3.76Å |
| 78 | Q | 97.5 | Very high | 89.1 | Confident | 48 Ų | 48 | 53 Ų | 53 | 22% | 0.224 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -160.2 | 150.1 | -174.3 | -174.9 | -177.6 | 12.5 | 0 | 0 | 110 | L61 I80 L125 | L61-Q78 HydrophobicContact CB-CB 4.18Å; L61-Q78 PolarHBondContact N-O 3.31Å; L61-Q78 PolarHBondContact O-N 2.84Å; Q78-I80 HydrophobicContact CG-CG1 4.11Å; Q78-L125 PolarHBondContact NE2-O 2.93Å |
| 79 | R | 97.5 | Very high | 91 | Very high | 93 Ų | 93 | 52.1 Ų | 52.1 | 35% | 0.351 | 29% | 0.287 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.3 | 147.5 | 162.1 | 56.6 | 176.5 | 68.1 | -166.4 | -2.8 | 109.6 | E16 R58 L59 Y60 E76 | E16-R79 IonicContact OE1-CZ 2.7Å; E16-R79 VanDerWaalsContact OE1-CZ 3.25Å; E16-R79 IonicContact OE1-NH1 3.1Å; E16-R79 PolarHBondContact OE1-NH1 2.7Å; E16-R79 IonicContact OE1-NH2 2.7Å; E16-R79 PolarHBondContact OE1-NH2 2.79Å; E16-R79 IonicContact OE2-NH1 3.34Å; E16-R79 PolarHBondContact OE2-NH1 2.83Å; R58-R79 HydrophobicContact CG-CB 4.2Å; L59-R79 CarbonylContact O-C 3.58Å; L59-R79 WeakPolarHBondContact O-CA 3.45Å; Y60-R79 HydrophobicContact CD1-CB 4.08Å; Y60-R79 HydrophobicContact CE1-CB 4.13Å; E76-R79 WeakPolarHBondContact OE1-CG 3.39Å; E76-R79 IonicContact OE1-CZ 3.2Å; E76-R79 IonicContact OE1-NE 2.71Å; E76-R79 PolarHBondContact OE1-NE 3.47Å; E76-R79 IonicContact OE1-NH2 2.75Å; E76-R79 IonicContact OE2-CZ 2.79Å; E76-R79 IonicContact OE2-NE 2.79Å; E76-R79 PolarHBondContact OE2-NE 3.43Å; E76-R79 IonicContact OE2-NH2 3.97Å; E76-R79 PolarHBondContact OE2-NH2 3.27Å |
| 80 | I | 98.1 | Very high | 93.2 | Very high | 45 Ų | 45 | 45.5 Ų | 45.5 | 23% | 0.231 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.8 | 119.3 | 176.6 | -48.9 | 177.2 | 0 | 0 | 0 | 107.4 | R58 L59 Q78 T82 L125 | R58-I80 CarbonylContact C-O 3.53Å; R58-I80 VanDerWaalsContact CA-O 3.27Å; R58-I80 WeakPolarHBondContact CA-O 3.38Å; R58-I80 WeakPolarHBondContact CG-O 3.4Å; L59-I80 HydrophobicContact CB-CB 4.48Å; L59-I80 PolarHBondContact N-O 2.7Å; L59-I80 PolarHBondContact O-N 3.47Å; Q78-I80 HydrophobicContact CG-CG1 4.11Å; I80-T82 HydrophobicContact CG2-CG2 4.23Å; I80-L125 HydrophobicContact CD1-CB 4.43Å |
| 81 | D | 98.1 | Very high | 94.8 | Very high | 114 Ų | 114 | 37.2 Ų | 37.2 | 61% | 0.61 | 20% | 0.204 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -72 | 135.9 | 172.6 | -62 | -57.6 | 0 | 0 | 0 | 110.4 | R58 | R58-D81 IonicContact CZ-OD1 3.1Å; R58-D81 IonicContact NE-OD1 3.78Å; R58-D81 PolarHBondContact NE-OD1 3.08Å; R58-D81 IonicContact NH2-OD1 3.43Å; R58-D81 PolarHBondContact NH2-OD1 2.81Å |
| 82 | T | 97.6 | Very high | 96.3 | Very high | 21 Ų | 21 | 35.2 Ų | 35.2 | 13% | 0.129 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.8 | 172.4 | -172.3 | 60 | 0 | 0 | 0 | 0 | 110.9 | G57 I80 M103 | G57-T82 CarbonylContact C-O 3.57Å; G57-T82 PolarHBondContact N-O 3.32Å; G57-T82 PolarHBondContact O-N 2.85Å; G57-T82 PolarHBondContact O-OG1 2.97Å; I80-T82 HydrophobicContact CG2-CG2 4.23Å; T82-M103 HydrophobicContact CG2-CE 4.01Å |
| 83 | P | 97.5 | Very high | 96.9 | Very high | 43 Ų | 43 | 32.2 Ų | 32.2 | 28% | 0.279 | 17% | 0.165 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -55.9 | 158.6 | 151.2 | -20.7 | 34.3 | 0 | 0 | 0 | 110.3 | ||
| 84 | A | 98.3 | Very high | 97.1 | Very high | 0 Ų | 0 | 33.6 Ų | 33.6 | 0% | 0 | 17% | 0.174 | C | C | . | . | P | Polyproline II helix | trans | -54.7 | 142.1 | -179.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | Y39 R55 I56 T105 A106 | Y39-A84 HydrophobicContact CD2-CB 3.34Å; Y39-A84 HydrophobicContact CE2-CB 3.84Å; Y39-A84 HydrophobicContact CG-CB 3.8Å; R55-A84 HydrophobicContact CB-CB 3.76Å; R55-A84 PolarHBondContact O-N 3.46Å; I56-A84 WeakPolarHBondContact O-CA 3.47Å; I56-A84 VanDerWaalsContact O-CB 3.24Å; I56-A84 WeakPolarHBondContact O-CB 3.44Å; A84-T105 CarbonylContact O-C 3.54Å; A84-T105 WeakPolarHBondContact O-CA 3.43Å; A84-A106 HydrophobicContact CB-CB 3.81Å; A84-A106 WeakPolarHBondContact O-CB 3.48Å; A84-A106 PolarHBondContact O-N 3.45Å |
| 85 | I | 98.7 | Very high | 97 | Very high | 0 Ų | 0 | 34.5 Ų | 34.5 | 0% | 0 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.9 | 132.2 | -175.2 | -58.9 | 166.5 | 0 | 0 | 0 | 108.6 | T21 T38 R58 L59 I88 M103 | T21-I85 HydrophobicContact CG2-CG2 3.82Å; T38-I85 PolarHBondContact O-N 2.81Å; T38-I85 VanDerWaalsContact O-N 3.09Å; R58-I85 WeakPolarHBondContact O-CD1 3.36Å; L59-I85 HydrophobicContact CB-CD1 3.88Å; L59-I85 HydrophobicContact CD1-CD1 4.44Å; I85-I88 HydrophobicContact CG2-CG2 3.66Å; I85-M103 HydrophobicContact CD1-CG 4.49Å; I85-M103 HydrophobicContact CD1-SD 3.5Å; I85-M103 VanDerWaalsContact CD1-SD 3.5Å; I85-M103 HydrophobicContact CG1-CG 4.21Å; I85-M103 HydrophobicContact CG1-SD 3.69Å; I85-M103 HydrophobicContact CG2-CG 3.84Å; I85-M103 HydrophobicContact CG2-SD 4.26Å |
| 86 | L | 98.5 | Very high | 96.9 | Very high | 21 Ų | 21 | 36.6 Ų | 36.6 | 11% | 0.11 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113 | -25.3 | -178.9 | -70.1 | 81.5 | 0 | 0 | 0 | 112.6 | Y39 A104 A106 L138 L140 | Y39-L86 HydrophobicContact CD2-CD1 4.12Å; Y39-L86 HydrophobicContact CD2-CG 4.26Å; Y39-L86 HydrophobicContact CE2-CD1 4.25Å; Y39-L86 HydrophobicContact CE2-CG 4.42Å; L86-A104 PolarHBondContact N-O 3.17Å; L86-A106 HydrophobicContact CD1-CB 3.91Å; L86-L138 HydrophobicContact CD2-CB 4.44Å; L86-L138 HydrophobicContact CD2-CD1 4.42Å; L86-L140 HydrophobicContact CD2-CD2 3.53Å |
| 87 | D | 98.8 | Very high | 96.7 | Very high | 0 Ų | 0 | 40.8 Ų | 40.8 | 0% | 0 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -152.5 | 146.4 | 172.9 | -159.2 | 25.5 | 0 | 0 | 0 | 111.3 | K89 M103 A104 L142 R278 | D87-K89 IonicContact OD1-NZ 2.84Å; D87-K89 PolarHBondContact OD1-NZ 2.9Å; D87-K89 WeakPolarHBondContact OD2-CE 3.29Å; D87-K89 IonicContact OD2-NZ 3.64Å; D87-K89 PolarHBondContact OD2-NZ 2.82Å; D87-M103 CarbonylContact O-C 3.55Å; D87-M103 WeakPolarHBondContact O-CA 3.41Å; D87-A104 HydrophobicContact CB-CB 4.13Å; D87-A104 PolarHBondContact O-N 2.82Å; D87-L142 PolarHBondContact OD2-N 2.93Å; D87-R278 IonicContact OD1-CZ 3.75Å; D87-R278 IonicContact OD1-NH1 2.77Å; D87-R278 PolarHBondContact OD1-NH1 2.86Å; D87-R278 IonicContact OD1-NH2 3.93Å |
| 88 | I | 98.8 | Very high | 96.6 | Very high | 0 Ų | 0 | 42 Ų | 42 | 0% | 0 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.6 | 145 | 167 | 61.3 | -178.6 | 0 | 0 | 0 | 107.4 | T21 E23 A35 L59 I85 L101 G102 M103 | T21-I88 HydrophobicContact CG2-CB 4.46Å; T21-I88 HydrophobicContact CG2-CD1 4.24Å; T21-I88 HydrophobicContact CG2-CG1 3.87Å; T21-I88 HydrophobicContact CG2-CG2 4.18Å; E23-I88 HydrophobicContact CB-CG1 4.33Å; E23-I88 HydrophobicContact CG-CD1 4.46Å; E23-I88 HydrophobicContact CG-CG1 3.8Å; E23-I88 WeakPolarHBondContact CG-O 3.34Å; A35-I88 HydrophobicContact CB-CD1 3.87Å; L59-I88 HydrophobicContact CD1-CG2 4.46Å; I85-I88 HydrophobicContact CG2-CG2 3.66Å; I88-L101 HydrophobicContact CB-CD1 4.15Å; I88-G102 CarbonylContact C-O 3.4Å; I88-G102 VanDerWaalsContact CA-O 3.22Å; I88-G102 WeakPolarHBondContact CA-O 3.38Å; I88-M103 HydrophobicContact CG2-CB 4.06Å; I88-M103 HydrophobicContact CG2-CG 3.87Å |
| 89 | K | 98.6 | Very high | 96.6 | Very high | 22 Ų | 22 | 39.9 Ų | 39.9 | 10% | 0.096 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -147.1 | 132 | 167.7 | -60.1 | -160.4 | -168.8 | -23.1 | 0 | 110.9 | D87 G102 L142 W144 | D87-K89 IonicContact OD1-NZ 2.84Å; D87-K89 PolarHBondContact OD1-NZ 2.9Å; D87-K89 WeakPolarHBondContact OD2-CE 3.29Å; D87-K89 IonicContact OD2-NZ 3.64Å; D87-K89 PolarHBondContact OD2-NZ 2.82Å; K89-G102 PolarHBondContact N-O 3.33Å; K89-G102 PolarHBondContact O-N 2.78Å; K89-L142 HydrophobicContact CB-CD1 3.89Å; K89-L142 WeakPolarHBondContact CD-O 3.44Å; K89-L142 WeakPolarHBondContact CE-O 3.15Å; K89-L142 HydrophobicContact CG-CD1 4.32Å; K89-W144 PolarHBondContact O-NE1 2.95Å |
| 90 | W | 98.4 | Very high | 96.6 | Very high | 2 Ų | 2 | 35.6 Ų | 35.6 | 1% | 0.008 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -69.9 | 141.2 | 167.1 | -68 | 100 | 0 | 0 | 0 | 110.3 | E23 W24 C25 P26 I33 A35 L61 H92 P99 L101 L115 L125 | E23-W90 PolarHBondContact O-NE1 2.9Å; E23-W90 VanDerWaalsContact O-NE1 3.13Å; W24-W90 VanDerWaalsContact C-CD1 3.5Å; C25-W90 HydrophobicContact CB-CD2 3.95Å; C25-W90 HydrophobicContact CB-CE3 4.45Å; C25-W90 HydrophobicContact CB-CG 4.27Å; C25-W90 HydrophobicContact CB-CZ2 4.1Å; P26-W90 HydrophobicContact CG-CB 4.01Å; I33-W90 HydrophobicContact CG2-CH2 4.21Å; I33-W90 HydrophobicContact CG2-CZ2 3.87Å; A35-W90 HydrophobicContact CB-CZ2 4Å; L61-W90 HydrophobicContact CD1-CH2 4.32Å; L61-W90 HydrophobicContact CD1-CZ2 4.26Å; W90-H92 PolarHBondContact O-N 3.24Å; W90-P99 HydrophobicContact CE3-CB 4.03Å; W90-P99 HydrophobicContact CZ3-CB 3.82Å; W90-L101 HydrophobicContact CD2-CB 4.2Å; W90-L101 HydrophobicContact CD2-CD1 3.81Å; W90-L101 HydrophobicContact CE3-CB 3.82Å; W90-L101 HydrophobicContact CE3-CD1 4.3Å; W90-L101 HydrophobicContact CG-CD1 3.95Å; W90-L101 HydrophobicContact CH2-CB 4.24Å; W90-L101 HydrophobicContact CZ2-CD1 4.46Å; W90-L101 HydrophobicContact CZ2-CD2 4.46Å; W90-L101 HydrophobicContact CZ3-CB 3.84Å; W90-L115 HydrophobicContact CH2-CB 4.31Å; W90-L115 HydrophobicContact CH2-CD2 4.34Å; W90-L115 HydrophobicContact CZ3-CB 4.15Å; W90-L125 HydrophobicContact CH2-CD2 3.99Å; W90-L125 HydrophobicContact CZ3-CD2 4.39Å |
| 91 | C | 97.4 | Very high | 96.6 | Very high | 0 Ų | 0 | 33.4 Ų | 33.4 | 0% | 0 | 18% | 0.18 | C | C | . | . | trans | -65.7 | 131.3 | 165.7 | -167.9 | 0 | 0 | 0 | 0 | 108.7 | V93 L100 W144 T146 | C91-V93 PolarHBondContact O-N 2.7Å; C91-V93 VanDerWaalsContact O-N 3.11Å; C91-L100 HydrophobicContact CB-CB 4.18Å; C91-L100 WeakPolarHBondContact CB-O 3.46Å; C91-L100 PolarHBondContact N-O 2.81Å; C91-W144 HydrophobicContact CB-CD2 3.83Å; C91-W144 HydrophobicContact CB-CE3 4.09Å; C91-W144 HydrophobicContact CB-CG 4.31Å; C91-W144 HydrophobicContact CB-CH2 4.26Å; C91-W144 HydrophobicContact CB-CZ2 4Å; C91-W144 HydrophobicContact CB-CZ3 4.3Å; C91-T146 PolarHBondContact SG-OG1 3.31Å | ||
| 92 | H | 95.9 | Very high | 96.6 | Very high | 52 Ų | 52 | 28 Ų | 28 | 24% | 0.241 | 15% | 0.151 | C | C | . | . | S | Bend | trans | -70.9 | -2.5 | -176.9 | -53.8 | 91.4 | 0 | 0 | 0 | 114 | W90 T146 | W90-H92 PolarHBondContact O-N 3.24Å; H92-T146 VanDerWaalsContact CB-O 3.29Å; H92-T146 WeakPolarHBondContact CB-O 3.36Å; H92-T146 PolarHBondContact N-OG1 2.92Å; H92-T146 PolarHBondContact ND1-OG1 3Å |
| 93 | V | 94.7 | Very high | 96.7 | Very high | 18 Ų | 18 | 27 Ų | 27 | 11% | 0.109 | 15% | 0.145 | C | C | . | . | S | Bend | trans | -132.7 | 151 | 174.8 | -62.1 | 0 | 0 | 0 | 0 | 109.7 | C91 T146 G149 V154 | C91-V93 PolarHBondContact O-N 2.7Å; C91-V93 VanDerWaalsContact O-N 3.11Å; V93-T146 HydrophobicContact CG2-CG2 3.62Å; V93-G149 VanDerWaalsContact CG1-O 3.29Å; V93-G149 WeakPolarHBondContact CG1-O 3.34Å; V93-V154 HydrophobicContact CG2-CG2 4.47Å |
| 94 | P | 93.9 | Very high | 96.8 | Very high | 60 Ų | 60 | 25 Ų | 25 | 39% | 0.39 | 13% | 0.131 | S | C | . | . | trans | -64.8 | 143.1 | 168.8 | 29.4 | -34.6 | 0 | 0 | 0 | 110.5 | K98 | P94-K98 CarbonylContact C-O 3.54Å; P94-K98 WeakPolarHBondContact CA-O 3.33Å | ||
| 95 | V | 92.8 | Very high | 96.8 | Very high | 23 Ų | 23 | 25 Ų | 25 | 14% | 0.139 | 13% | 0.131 | C | C | . | . | S | Bend | trans | -115.3 | 114.4 | 173.6 | -179.7 | 0 | 0 | 0 | 0 | 108.3 | K98 L100 R114 L170 | V95-K98 PolarHBondContact N-O 3.1Å; V95-K98 PolarHBondContact O-N 2.88Å; V95-L100 HydrophobicContact CB-CB 4.45Å; V95-L100 HydrophobicContact CB-CD2 4.06Å; V95-L100 HydrophobicContact CG1-CD2 4.37Å; V95-L100 HydrophobicContact CG2-CB 4.37Å; V95-L100 HydrophobicContact CG2-CD2 3.88Å; V95-R114 PolarHBondContact O-NH1 2.8Å; V95-L170 HydrophobicContact CG1-CD2 4.03Å; V95-L170 HydrophobicContact CG2-CD2 4.25Å |
| 96 | S | 90.8 | Very high | 96.7 | Very high | 71 Ų | 71 | 25.7 Ų | 25.7 | 50% | 0.497 | 14% | 0.138 | S | C | . | . | S | Bend | trans | 51.4 | 59.2 | -166.1 | -15.7 | 0 | 0 | 0 | 0 | 111.5 | K98 R114 | S96-K98 PolarHBondContact O-N 3.42Å; S96-K98 VanDerWaalsContact O-N 3.07Å; S96-R114 VanDerWaalsContact CB-NH1 3.26Å; S96-R114 PolarHBondContact OG-NH1 3.38Å |
| 97 | E | 92.2 | Very high | 96.6 | Very high | 168 Ų | 168 | 27.2 Ų | 27.2 | 79% | 0.785 | 15% | 0.15 | S | C | * | . | S | Bend | trans | 57.1 | 19.1 | 178 | -44.9 | -43.1 | 99.3 | 0 | 0 | 116.2 | ||
| 98 | K | 94.6 | Very high | 96.5 | Very high | 81 Ų | 81 | 27.2 Ų | 27.2 | 35% | 0.352 | 15% | 0.15 | S | C | . | . | S | Bend | trans | -137.6 | 144.3 | -179.1 | -66 | -169 | 174.5 | -169.7 | 0 | 113.1 | P94 V95 S96 R114 I116 | P94-K98 CarbonylContact C-O 3.54Å; P94-K98 WeakPolarHBondContact CA-O 3.33Å; V95-K98 PolarHBondContact N-O 3.1Å; V95-K98 PolarHBondContact O-N 2.88Å; S96-K98 PolarHBondContact O-N 3.42Å; S96-K98 VanDerWaalsContact O-N 3.07Å; K98-R114 HydrophobicContact CB-CG 3.8Å; K98-R114 HydrophobicContact CD-CG 4.33Å; K98-I116 HydrophobicContact CD-CG2 4.19Å |
| 99 | P | 97.2 | Very high | 96.4 | Very high | 3 Ų | 3 | 29.8 Ų | 29.8 | 2% | 0.019 | 16% | 0.162 | C | C | . | . | trans | -60.2 | 145.2 | 171 | -21.5 | 32.8 | 0 | 0 | 0 | 112 | I27 W30 W90 L115 | I27-P99 HydrophobicContact CB-CG 4.22Å; I27-P99 HydrophobicContact CG1-CB 4.08Å; I27-P99 HydrophobicContact CG1-CG 4.06Å; I27-P99 HydrophobicContact CG2-CG 4.42Å; W30-P99 HydrophobicContact CB-CG 4.33Å; W30-P99 HydrophobicContact CD2-CG 4.28Å; W30-P99 HydrophobicContact CG-CG 3.71Å; W90-P99 HydrophobicContact CE3-CB 4.03Å; W90-P99 HydrophobicContact CZ3-CB 3.82Å; P99-L115 HydrophobicContact CB-CB 4.02Å; P99-L115 HydrophobicContact CB-CD2 4.34Å; P99-L115 HydrophobicContact CG-CB 4.3Å; P99-L115 HydrophobicContact CG-CD2 4.09Å; P99-L115 PolarHBondContact O-N 2.87Å | ||
| 100 | L | 97.6 | Very high | 96.4 | Very high | 3 Ų | 3 | 28.8 Ų | 28.8 | 2% | 0.016 | 16% | 0.158 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.4 | 124.6 | -178.1 | -171.7 | 67.5 | 0 | 0 | 0 | 109 | C91 V95 L112 R114 V128 W144 L170 | C91-L100 HydrophobicContact CB-CB 4.18Å; C91-L100 WeakPolarHBondContact CB-O 3.46Å; C91-L100 PolarHBondContact N-O 2.81Å; V95-L100 HydrophobicContact CB-CB 4.45Å; V95-L100 HydrophobicContact CB-CD2 4.06Å; V95-L100 HydrophobicContact CG1-CD2 4.37Å; V95-L100 HydrophobicContact CG2-CB 4.37Å; V95-L100 HydrophobicContact CG2-CD2 3.88Å; L100-L112 HydrophobicContact CD1-CB 4.25Å; L100-L112 HydrophobicContact CD2-CD1 4.33Å; L100-R114 HydrophobicContact CD1-CB 4.1Å; L100-V128 HydrophobicContact CD1-CG2 4.12Å; L100-W144 HydrophobicContact CD2-CH2 3.71Å; L100-W144 HydrophobicContact CD2-CZ3 4.29Å; L100-W144 HydrophobicContact CG-CH2 4.16Å; L100-L170 HydrophobicContact CD2-CD2 3.58Å |
| 101 | L | 98.7 | Very high | 96.4 | Very high | 0 Ų | 0 | 30 Ų | 30 | 0% | 0 | 16% | 0.163 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.8 | 127.1 | 176.9 | -178.1 | 64.8 | 0 | 0 | 0 | 109.1 | A35 L59 I88 W90 L112 H113 L125 | A35-L101 HydrophobicContact CB-CD1 4.33Å; A35-L101 HydrophobicContact CB-CD2 3.78Å; L59-L101 HydrophobicContact CD1-CD2 4.12Å; L59-L101 HydrophobicContact CD2-CD2 4.15Å; I88-L101 HydrophobicContact CB-CD1 4.15Å; W90-L101 HydrophobicContact CD2-CB 4.2Å; W90-L101 HydrophobicContact CD2-CD1 3.81Å; W90-L101 HydrophobicContact CE3-CB 3.82Å; W90-L101 HydrophobicContact CE3-CD1 4.3Å; W90-L101 HydrophobicContact CG-CD1 3.95Å; W90-L101 HydrophobicContact CH2-CB 4.24Å; W90-L101 HydrophobicContact CZ2-CD1 4.46Å; W90-L101 HydrophobicContact CZ2-CD2 4.46Å; W90-L101 HydrophobicContact CZ3-CB 3.84Å; L101-L112 CarbonylContact O-C 3.52Å; L101-L112 WeakPolarHBondContact O-CA 3.42Å; L101-H113 HydrophobicContact CB-CB 4.35Å; L101-H113 PolarHBondContact N-O 2.84Å; L101-H113 PolarHBondContact O-N 2.77Å; L101-L125 HydrophobicContact CB-CD2 4.46Å; L101-L125 HydrophobicContact CD2-CD1 3.78Å |
| 102 | G | 98.6 | Very high | 96.5 | Very high | 0 Ų | 0 | 30 Ų | 30 | 0% | 0 | 16% | 0.164 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.5 | 144.5 | 165.7 | 0 | 0 | 0 | 0 | 0 | 110.3 | I88 K89 L142 | I88-G102 CarbonylContact C-O 3.4Å; I88-G102 VanDerWaalsContact CA-O 3.22Å; I88-G102 WeakPolarHBondContact CA-O 3.38Å; K89-G102 PolarHBondContact N-O 3.33Å; K89-G102 PolarHBondContact O-N 2.78Å; G102-L142 VanDerWaalsContact C-CD2 3.45Å |
| 103 | M | 98.7 | Very high | 96.6 | Very high | 0 Ų | 0 | 27.7 Ų | 27.7 | 0% | 0 | 15% | 0.153 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.3 | 131.3 | 177.8 | -179.5 | 172.2 | 77.8 | 0 | 0 | 110.9 | L59 T82 I85 D87 I88 T105 L110 Q111 L142 | L59-M103 HydrophobicContact CB-SD 4.18Å; L59-M103 HydrophobicContact CD1-SD 4.35Å; L59-M103 HydrophobicContact CD2-SD 3.9Å; L59-M103 HydrophobicContact CG-SD 4.38Å; T82-M103 HydrophobicContact CG2-CE 4.01Å; I85-M103 HydrophobicContact CD1-CG 4.49Å; I85-M103 HydrophobicContact CD1-SD 3.5Å; I85-M103 VanDerWaalsContact CD1-SD 3.5Å; I85-M103 HydrophobicContact CG1-CG 4.21Å; I85-M103 HydrophobicContact CG1-SD 3.69Å; I85-M103 HydrophobicContact CG2-CG 3.84Å; I85-M103 HydrophobicContact CG2-SD 4.26Å; D87-M103 CarbonylContact O-C 3.55Å; D87-M103 WeakPolarHBondContact O-CA 3.41Å; I88-M103 HydrophobicContact CG2-CB 4.06Å; I88-M103 HydrophobicContact CG2-CG 3.87Å; M103-T105 HydrophobicContact CE-CG2 3.88Å; M103-T105 HydrophobicContact CG-CG2 4.21Å; M103-L110 CarbonylContact O-C 3.42Å; M103-L110 WeakPolarHBondContact O-CA 3.35Å; M103-Q111 HydrophobicContact CE-CB 4.08Å; M103-Q111 HydrophobicContact CE-CG 4.32Å; M103-Q111 PolarHBondContact N-O 2.86Å; M103-Q111 PolarHBondContact O-N 2.92Å; M103-L142 VanDerWaalsContact C-CD2 3.44Å |
| 104 | A | 98.7 | Very high | 96.7 | Very high | 0 Ų | 0 | 28.1 Ų | 28.1 | 0% | 0 | 15% | 0.153 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.4 | 131.1 | 173.4 | 0 | 0 | 0 | 0 | 0 | 110.3 | L86 D87 L110 A139 L142 | L86-A104 PolarHBondContact N-O 3.17Å; D87-A104 HydrophobicContact CB-CB 4.13Å; D87-A104 PolarHBondContact O-N 2.82Å; A104-L110 HydrophobicContact CB-CD2 3.84Å; A104-A139 HydrophobicContact CB-CB 3.81Å; A104-L142 HydrophobicContact CB-CD2 4.06Å |
| 105 | T | 98.3 | Very high | 96.9 | Very high | 0 Ų | 0 | 25.4 Ų | 25.4 | 0% | 0 | 14% | 0.135 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.8 | 158 | -171 | 67.8 | 0 | 0 | 0 | 0 | 114.4 | A84 M103 S107 G108 E109 A139 | A84-T105 CarbonylContact O-C 3.54Å; A84-T105 WeakPolarHBondContact O-CA 3.43Å; M103-T105 HydrophobicContact CE-CG2 3.88Å; M103-T105 HydrophobicContact CG-CG2 4.21Å; T105-S107 PolarHBondContact O-N 3.29Å; T105-S107 PolarHBondContact OG1-N 2.88Å; T105-S107 PolarHBondContact OG1-OG 3.3Å; T105-G108 PolarHBondContact O-N 3.39Å; T105-E109 PolarHBondContact N-O 3.13Å; T105-E109 WeakPolarHBondContact OG1-CB 3.29Å; T105-E109 PolarHBondContact OG1-N 3.45Å; T105-E109 PolarHBondContact OG1-O 2.86Å; T105-A139 PolarHBondContact O-N 3.11Å |
| 106 | A | 97.3 | Very high | 97 | Very high | 16 Ų | 16 | 26.8 Ų | 26.8 | 13% | 0.132 | 14% | 0.141 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -67.3 | -6.1 | 169.1 | 0 | 0 | 0 | 0 | 0 | 114.8 | R55 A84 L86 G108 L138 | R55-A106 HydrophobicContact CB-CB 3.59Å; R55-A106 HydrophobicContact CG-CB 4.22Å; A84-A106 HydrophobicContact CB-CB 3.81Å; A84-A106 WeakPolarHBondContact O-CB 3.48Å; A84-A106 PolarHBondContact O-N 3.45Å; L86-A106 HydrophobicContact CD1-CB 3.91Å; A106-G108 VanDerWaalsContact C-N 3.25Å; A106-L138 HydrophobicContact CB-CD2 4.17Å; A106-L138 WeakPolarHBondContact O-CD2 3.3Å |
| 107 | S | 96.3 | Very high | 97.1 | Very high | 52 Ų | 52 | 27.4 Ų | 27.4 | 36% | 0.364 | 14% | 0.136 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -82.3 | -1.4 | 167.1 | 51 | 0 | 0 | 0 | 0 | 113 | T105 E109 | T105-S107 PolarHBondContact O-N 3.29Å; T105-S107 PolarHBondContact OG1-N 2.88Å; T105-S107 PolarHBondContact OG1-OG 3.3Å; S107-E109 VanDerWaalsContact C-N 3.31Å; S107-E109 PolarHBondContact OG-OE2 3.02Å |
| 108 | G | 97 | Very high | 97 | Very high | 0 Ų | 0 | 22 Ų | 22 | 0% | 0 | 12% | 0.116 | C | C | . | . | S | Bend | trans | 79 | 15.7 | -175 | 0 | 0 | 0 | 0 | 0 | 113.2 | T105 A106 G132 L133 K137 | T105-G108 PolarHBondContact O-N 3.39Å; A106-G108 VanDerWaalsContact C-N 3.25Å; G108-G132 WeakPolarHBondContact O-CA 3.14Å; G108-L133 PolarHBondContact O-N 2.78Å; G108-K137 WeakPolarHBondContact CA-O 3.34Å; G108-K137 PolarHBondContact N-O 3.49Å |
| 109 | E | 97.5 | Very high | 96.5 | Very high | 55 Ų | 55 | 28.2 Ų | 28.2 | 26% | 0.257 | 15% | 0.147 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.7 | 149.8 | -178.7 | -61 | 176.4 | 108 | 0 | 0 | 112.1 | T105 S107 Q111 S130 L131 A139 | T105-E109 PolarHBondContact N-O 3.13Å; T105-E109 WeakPolarHBondContact OG1-CB 3.29Å; T105-E109 PolarHBondContact OG1-N 3.45Å; T105-E109 PolarHBondContact OG1-O 2.86Å; S107-E109 VanDerWaalsContact C-N 3.31Å; S107-E109 PolarHBondContact OG-OE2 3.02Å; E109-Q111 HydrophobicContact CB-CG 4.3Å; E109-Q111 PolarHBondContact OE2-NE2 3.31Å; E109-Q111 VanDerWaalsContact OE2-NE2 3.13Å; E109-S130 PolarHBondContact OE1-OG 2.78Å; E109-L131 WeakPolarHBondContact CA-O 3.22Å; E109-A139 WeakPolarHBondContact O-CB 3.42Å |
| 110 | L | 98.4 | Very high | 95.8 | Very high | 1 Ų | 1 | 34.6 Ų | 34.6 | 1% | 0.005 | 18% | 0.176 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.6 | 125.4 | 153.8 | -59.2 | -177.2 | 0 | 0 | 0 | 109 | M103 A104 S130 L131 L133 A139 L142 V156 L168 L175 | M103-L110 CarbonylContact O-C 3.42Å; M103-L110 WeakPolarHBondContact O-CA 3.35Å; A104-L110 HydrophobicContact CB-CD2 3.84Å; L110-S130 CarbonylContact O-C 3.36Å; L110-S130 WeakPolarHBondContact O-CA 3.36Å; L110-L131 PolarHBondContact N-O 2.85Å; L110-L131 PolarHBondContact O-N 3.3Å; L110-L133 HydrophobicContact CD1-CD2 4.15Å; L110-L133 HydrophobicContact CD2-CD1 4.42Å; L110-L133 HydrophobicContact CG-CD1 4.34Å; L110-L133 HydrophobicContact CG-CD2 4.12Å; L110-L133 HydrophobicContact CG-CG 4.4Å; L110-A139 HydrophobicContact CD2-CB 4.04Å; L110-L142 HydrophobicContact CD2-CB 4.3Å; L110-L142 HydrophobicContact CD2-CD2 4.23Å; L110-V156 HydrophobicContact CD1-CG1 4.15Å; L110-L168 HydrophobicContact CD1-CD1 3.38Å; L110-L175 HydrophobicContact CB-CD1 4.19Å |
| 111 | Q | 98.1 | Very high | 95 | Very high | 26 Ų | 26 | 36.4 Ų | 36.4 | 12% | 0.121 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.7 | 136.4 | 176.1 | -58.2 | -173.4 | 3.1 | 0 | 0 | 109.8 | M103 E109 H113 T129 | M103-Q111 HydrophobicContact CE-CB 4.08Å; M103-Q111 HydrophobicContact CE-CG 4.32Å; M103-Q111 PolarHBondContact N-O 2.86Å; M103-Q111 PolarHBondContact O-N 2.92Å; E109-Q111 HydrophobicContact CB-CG 4.3Å; E109-Q111 PolarHBondContact OE2-NE2 3.31Å; E109-Q111 VanDerWaalsContact OE2-NE2 3.13Å; Q111-H113 PolarHBondContact OE1-NE2 3.08Å; Q111-T129 WeakPolarHBondContact CA-O 3.37Å |
| 112 | L | 98.2 | Very high | 94.6 | Very high | 2 Ų | 2 | 44.4 Ų | 44.4 | 1% | 0.01 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.5 | 131.3 | 174.1 | -57 | -172.7 | 0 | 0 | 0 | 110.6 | L100 L101 V128 T129 W144 L170 L175 | L100-L112 HydrophobicContact CD1-CB 4.25Å; L100-L112 HydrophobicContact CD2-CD1 4.33Å; L101-L112 CarbonylContact O-C 3.52Å; L101-L112 WeakPolarHBondContact O-CA 3.42Å; L112-V128 HydrophobicContact CB-CB 4.46Å; L112-V128 PolarHBondContact O-N 3.26Å; L112-T129 HydrophobicContact CB-CG2 3.95Å; L112-T129 HydrophobicContact CD1-CG2 3.85Å; L112-T129 HydrophobicContact CG-CG2 3.91Å; L112-T129 PolarHBondContact N-O 2.82Å; L112-W144 HydrophobicContact CD1-CH2 4.23Å; L112-W144 HydrophobicContact CD2-CH2 3.74Å; L112-W144 HydrophobicContact CD2-CZ2 3.99Å; L112-L170 HydrophobicContact CD1-CD1 3.56Å; L112-L175 HydrophobicContact CD1-CD1 3.93Å; L112-L175 HydrophobicContact CD1-CD2 3.94Å; L112-L175 HydrophobicContact CD1-CG 3.73Å; L112-L175 HydrophobicContact CD2-CD1 4.22Å; L112-L175 HydrophobicContact CG-CD1 3.88Å; L112-L175 HydrophobicContact CG-CG 4.23Å |
| 113 | H | 98.3 | Very high | 94.4 | Very high | 2 Ų | 2 | 44.7 Ų | 44.7 | 1% | 0.009 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.1 | 116.9 | -174 | -70.3 | -83.6 | 0 | 0 | 0 | 110.1 | L101 Q111 L125 Q126 T127 | L101-H113 HydrophobicContact CB-CB 4.35Å; L101-H113 PolarHBondContact N-O 2.84Å; L101-H113 PolarHBondContact O-N 2.77Å; Q111-H113 PolarHBondContact OE1-NE2 3.08Å; H113-L125 HydrophobicContact CB-CB 4.21Å; H113-L125 HydrophobicContact CB-CD1 4.29Å; H113-L125 HydrophobicContact CB-CD2 4.12Å; H113-L125 HydrophobicContact CB-CG 4.44Å; H113-Q126 CarbonylContact C-O 3.59Å; H113-Q126 WeakPolarHBondContact CA-O 3.44Å; H113-T127 PolarHBondContact CE1-OG1 2.84Å; H113-T127 VanDerWaalsContact CE1-OG1 3.31Å; H113-T127 PolarHBondContact ND1-OG1 2.88Å |
| 114 | R | 97.4 | Very high | 94.3 | Very high | 28 Ų | 28 | 46.2 Ų | 46.2 | 11% | 0.106 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.2 | 130.1 | -179.8 | -164.1 | -175.4 | -59.4 | -120.9 | 11.2 | 109.5 | V95 S96 K98 L100 I116 Q126 V128 N173 | V95-R114 PolarHBondContact O-NH1 2.8Å; S96-R114 VanDerWaalsContact CB-NH1 3.26Å; S96-R114 PolarHBondContact OG-NH1 3.38Å; K98-R114 HydrophobicContact CB-CG 3.8Å; K98-R114 HydrophobicContact CD-CG 4.33Å; L100-R114 HydrophobicContact CD1-CB 4.1Å; R114-I116 PolarHBondContact O-N 2.88Å; R114-Q126 PolarHBondContact N-O 2.76Å; R114-Q126 PolarHBondContact O-N 3.09Å; R114-V128 HydrophobicContact CB-CG2 3.59Å; R114-N173 PolarHBondContact NH2-OD1 3.41Å |
| 115 | L | 98 | Very high | 94.3 | Very high | 3 Ų | 3 | 46.7 Ų | 46.7 | 2% | 0.016 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -73.6 | 125 | 171.6 | -171.8 | 67.3 | 0 | 0 | 0 | 109 | W30 I33 L61 W90 P99 C123 L125 | W30-L115 HydrophobicContact CD2-CD2 3.74Å; W30-L115 HydrophobicContact CE3-CD2 3.52Å; W30-L115 HydrophobicContact CG-CD2 4.17Å; W30-L115 HydrophobicContact CZ3-CD2 4.09Å; I33-L115 HydrophobicContact CG1-CD2 4.21Å; I33-L115 HydrophobicContact CG2-CD2 4.4Å; L61-L115 HydrophobicContact CD1-CD1 4.3Å; L61-L115 HydrophobicContact CD2-CD1 3.8Å; W90-L115 HydrophobicContact CH2-CB 4.31Å; W90-L115 HydrophobicContact CH2-CD2 4.34Å; W90-L115 HydrophobicContact CZ3-CB 4.15Å; P99-L115 HydrophobicContact CB-CB 4.02Å; P99-L115 HydrophobicContact CB-CD2 4.34Å; P99-L115 HydrophobicContact CG-CB 4.3Å; P99-L115 HydrophobicContact CG-CD2 4.09Å; P99-L115 PolarHBondContact O-N 2.87Å; L115-C123 HydrophobicContact CD1-CB 4.08Å; L115-L125 HydrophobicContact CB-CD2 4.29Å; L115-L125 HydrophobicContact CD1-CD2 4.17Å |
| 116 | I | 95.7 | Very high | 94.2 | Very high | 51 Ų | 51 | 52 Ų | 52 | 26% | 0.262 | 27% | 0.267 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.1 | 146.7 | 175.2 | 61 | 167.3 | 0 | 0 | 0 | 109.4 | K98 R114 C123 A124 Q126 | K98-I116 HydrophobicContact CD-CG2 4.19Å; R114-I116 PolarHBondContact O-N 2.88Å; I116-C123 CarbonylContact O-C 3.59Å; I116-C123 VanDerWaalsContact O-CA 3.29Å; I116-C123 WeakPolarHBondContact O-CA 3.42Å; I116-A124 VanDerWaalsContact CG1-O 3.26Å; I116-A124 WeakPolarHBondContact CG1-O 3.15Å; I116-A124 PolarHBondContact N-O 3.43Å; I116-A124 PolarHBondContact O-N 2.83Å; I116-Q126 HydrophobicContact CD1-CB 4.1Å; I116-Q126 HydrophobicContact CG1-CB 4.38Å; I116-Q126 HydrophobicContact CG2-CB 4.44Å |
| 117 | E | 93.3 | Very high | 94.1 | Very high | 85 Ų | 85 | 55 Ų | 55 | 40% | 0.397 | 28% | 0.284 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.2 | 140 | 171 | -169 | 165.4 | -112 | 0 | 0 | 110 | W30 K63 R122 C123 | W30-E117 HydrophobicContact CH2-CB 3.9Å; W30-E117 HydrophobicContact CH2-CG 4.38Å; K63-E117 IonicContact NZ-OE1 2.77Å; E117-R122 WeakPolarHBondContact CA-O 3.46Å; E117-C123 PolarHBondContact OE1-SG 3.3Å |
| 118 | S | 88.9 | Confident | 94.1 | Very high | 54 Ų | 54 | 54.1 Ų | 54.1 | 38% | 0.378 | 28% | 0.277 | S | S | . | . | trans | -82.4 | 167.3 | 176.7 | 78.8 | 0 | 0 | 0 | 0 | 111.8 | E120 G121 R122 | S118-E120 PolarHBondContact O-N 3.35Å; S118-E120 PolarHBondContact OG-N 2.79Å; S118-G121 PolarHBondContact O-N 2.8Å; S118-R122 PolarHBondContact N-O 3.35Å; S118-R122 PolarHBondContact OG-N 2.94Å | ||
| 119 | Q | 83.6 | Confident | 94.1 | Very high | 212 Ų | 212 | 55.4 Ų | 55.4 | 99% | 0.991 | 28% | 0.284 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.6 | -12 | 172.7 | -63.3 | 179.6 | 1.4 | 0 | 0 | 113.6 | ||
| 120 | E | 83.6 | Confident | 94.1 | Very high | 137 Ų | 137 | 55.1 Ų | 55.1 | 64% | 0.64 | 29% | 0.288 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -93.9 | 3.7 | 174 | -60.5 | -176.4 | -177.4 | 0 | 0 | 113.4 | S118 R122 | S118-E120 PolarHBondContact O-N 3.35Å; S118-E120 PolarHBondContact OG-N 2.79Å; E120-R122 VanDerWaalsContact C-N 3.33Å; E120-R122 HydrophobicContact CB-CG 4.23Å; E120-R122 IonicContact OE2-CZ 3.58Å; E120-R122 IonicContact OE2-NE 2.81Å; E120-R122 PolarHBondContact OE2-NE 2.87Å; E120-R122 IonicContact OE2-NH2 2.82Å; E120-R122 PolarHBondContact OE2-NH2 3.16Å |
| 121 | G | 81.1 | Confident | 94 | Very high | 40 Ų | 40 | 57.4 Ų | 57.4 | 41% | 0.412 | 30% | 0.3 | S | S | . | . | S | Bend | trans | 72.4 | 23.2 | -175.1 | 0 | 0 | 0 | 0 | 0 | 114.1 | S118 | S118-G121 PolarHBondContact O-N 2.8Š|
| 122 | R | 88.8 | Confident | 94 | Very high | 169 Ų | 169 | 58.5 Ų | 58.5 | 64% | 0.638 | 32% | 0.319 | S | S | * | . | trans | -93 | 119.8 | 172.7 | -54 | -170.4 | -158.4 | -148.1 | 8.6 | 109.7 | E117 S118 E120 | E117-R122 WeakPolarHBondContact CA-O 3.46Å; S118-R122 PolarHBondContact N-O 3.35Å; S118-R122 PolarHBondContact OG-N 2.94Å; E120-R122 VanDerWaalsContact C-N 3.33Å; E120-R122 HydrophobicContact CB-CG 4.23Å; E120-R122 IonicContact OE2-CZ 3.58Å; E120-R122 IonicContact OE2-NE 2.81Å; E120-R122 PolarHBondContact OE2-NE 2.87Å; E120-R122 IonicContact OE2-NH2 2.82Å; E120-R122 PolarHBondContact OE2-NH2 3.16Å | ||
| 123 | C | 94.6 | Very high | 93.8 | Very high | 5 Ų | 5 | 58.9 Ų | 58.9 | 3% | 0.034 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.9 | 141 | 178.5 | -14.8 | 0 | 0 | 0 | 0 | 110.4 | W30 K63 L77 L115 I116 E117 | W30-C123 HydrophobicContact CZ3-CB 4.21Å; K63-C123 PolarHBondContact NZ-SG 3.25Å; L77-C123 HydrophobicContact CD1-CB 3.76Å; L115-C123 HydrophobicContact CD1-CB 4.08Å; I116-C123 CarbonylContact O-C 3.59Å; I116-C123 VanDerWaalsContact O-CA 3.29Å; I116-C123 WeakPolarHBondContact O-CA 3.42Å; E117-C123 PolarHBondContact OE1-SG 3.3Å |
| 124 | A | 97.1 | Very high | 93.5 | Very high | 32 Ų | 32 | 60.3 Ų | 60.3 | 26% | 0.264 | 34% | 0.336 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -151.4 | 154.8 | 177.8 | 0 | 0 | 0 | 0 | 0 | 110.8 | I116 | I116-A124 VanDerWaalsContact CG1-O 3.26Å; I116-A124 WeakPolarHBondContact CG1-O 3.15Å; I116-A124 PolarHBondContact N-O 3.43Å; I116-A124 PolarHBondContact O-N 2.83Å |
| 125 | L | 97.9 | Very high | 93.2 | Very high | 11 Ų | 11 | 64.2 Ų | 64.2 | 6% | 0.058 | 37% | 0.365 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.1 | 136.8 | 170.2 | -68.8 | 177.9 | 0 | 0 | 0 | 111.2 | L59 L61 Q78 I80 W90 L101 H113 L115 | L59-L125 HydrophobicContact CD2-CD1 3.55Å; L59-L125 HydrophobicContact CG-CD1 4.14Å; L61-L125 HydrophobicContact CD1-CD1 4.23Å; L61-L125 HydrophobicContact CD1-CD2 4.44Å; L61-L125 HydrophobicContact CD1-CG 4.1Å; L61-L125 HydrophobicContact CD2-CG 4.25Å; Q78-L125 PolarHBondContact NE2-O 2.93Å; I80-L125 HydrophobicContact CD1-CB 4.43Å; W90-L125 HydrophobicContact CH2-CD2 3.99Å; W90-L125 HydrophobicContact CZ3-CD2 4.39Å; L101-L125 HydrophobicContact CB-CD2 4.46Å; L101-L125 HydrophobicContact CD2-CD1 3.78Å; H113-L125 HydrophobicContact CB-CB 4.21Å; H113-L125 HydrophobicContact CB-CD1 4.29Å; H113-L125 HydrophobicContact CB-CD2 4.12Å; H113-L125 HydrophobicContact CB-CG 4.44Å; L115-L125 HydrophobicContact CB-CD2 4.29Å; L115-L125 HydrophobicContact CD1-CD2 4.17Å |
| 126 | Q | 96.4 | Very high | 92.9 | Very high | 110 Ų | 110 | 72.1 Ų | 72.1 | 51% | 0.514 | 41% | 0.407 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.9 | 122.1 | 172.6 | -179.6 | -179.3 | 18.4 | 0 | 0 | 109.8 | H113 R114 I116 V128 | H113-Q126 CarbonylContact C-O 3.59Å; H113-Q126 WeakPolarHBondContact CA-O 3.44Å; R114-Q126 PolarHBondContact N-O 2.76Å; R114-Q126 PolarHBondContact O-N 3.09Å; I116-Q126 HydrophobicContact CD1-CB 4.1Å; I116-Q126 HydrophobicContact CG1-CB 4.38Å; I116-Q126 HydrophobicContact CG2-CB 4.44Å; Q126-V128 PolarHBondContact O-N 3.49Å |
| 127 | T | 96.5 | Very high | 92.8 | Very high | 80 Ų | 80 | 71.2 Ų | 71.2 | 49% | 0.491 | 40% | 0.401 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -58.7 | 127.9 | 174.6 | -37.3 | 0 | 0 | 0 | 0 | 110.8 | H113 | H113-T127 PolarHBondContact CE1-OG1 2.84Å; H113-T127 VanDerWaalsContact CE1-OG1 3.31Å; H113-T127 PolarHBondContact ND1-OG1 2.88Å |
| 128 | V | 96 | Very high | 93 | Very high | 34 Ų | 34 | 68.5 Ų | 68.5 | 21% | 0.206 | 39% | 0.389 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.5 | -48 | 175.8 | 179.2 | 0 | 0 | 0 | 0 | 110.5 | L100 L112 R114 Q126 N173 | L100-V128 HydrophobicContact CD1-CG2 4.12Å; L112-V128 HydrophobicContact CB-CB 4.46Å; L112-V128 PolarHBondContact O-N 3.26Å; R114-V128 HydrophobicContact CB-CG2 3.59Å; Q126-V128 PolarHBondContact O-N 3.49Å; V128-N173 HydrophobicContact CG1-CB 3.78Å; V128-N173 WeakPolarHBondContact CG1-OD1 3.46Å |
| 129 | T | 96.9 | Very high | 93.5 | Very high | 26 Ų | 26 | 66 Ų | 66 | 16% | 0.16 | 37% | 0.371 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -158.8 | 154.4 | -175.1 | -171.7 | 0 | 0 | 0 | 0 | 110.7 | Q111 L112 L175 | Q111-T129 WeakPolarHBondContact CA-O 3.37Å; L112-T129 HydrophobicContact CB-CG2 3.95Å; L112-T129 HydrophobicContact CD1-CG2 3.85Å; L112-T129 HydrophobicContact CG-CG2 3.91Å; L112-T129 PolarHBondContact N-O 2.82Å; T129-L175 HydrophobicContact CG2-CG 4.22Å |
| 130 | S | 96.7 | Very high | 94.2 | Very high | 49 Ų | 49 | 56.1 Ų | 56.1 | 34% | 0.343 | 33% | 0.326 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.8 | 141.9 | 166.3 | -172.9 | 0 | 0 | 0 | 0 | 109 | E109 L110 | E109-S130 PolarHBondContact OE1-OG 2.78Å; L110-S130 CarbonylContact O-C 3.36Å; L110-S130 WeakPolarHBondContact O-CA 3.36Å |
| 131 | L | 97.3 | Very high | 94.9 | Very high | 49 Ų | 49 | 49.6 Ų | 49.6 | 26% | 0.257 | 30% | 0.295 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.6 | 119.3 | 176.3 | -179.2 | 68 | 0 | 0 | 0 | 110.5 | E109 L110 L168 L175 | E109-L131 WeakPolarHBondContact CA-O 3.22Å; L110-L131 PolarHBondContact N-O 2.85Å; L110-L131 PolarHBondContact O-N 3.3Å; L131-L168 HydrophobicContact CD2-CD1 4.03Å; L131-L168 HydrophobicContact CD2-CD2 4.03Å; L131-L175 HydrophobicContact CB-CB 4.2Å; L131-L175 HydrophobicContact CB-CD1 4.43Å; L131-L175 HydrophobicContact CD2-CB 3.74Å |
| 132 | G | 97.1 | Very high | 95.8 | Very high | 49 Ų | 49 | 47.8 Ų | 47.8 | 51% | 0.505 | 28% | 0.276 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.7 | 137.1 | 172.9 | 0 | 0 | 0 | 0 | 0 | 112.9 | G108 G134 | G108-G132 WeakPolarHBondContact O-CA 3.14Å; G132-G134 VanDerWaalsContact C-N 3.32Å |
| 133 | L | 95.6 | Very high | 96.2 | Very high | 11 Ų | 11 | 40 Ų | 40 | 6% | 0.058 | 25% | 0.247 | C | C | . | . | trans | -84.4 | -5.5 | 177.8 | -56.6 | -178.1 | 0 | 0 | 0 | 113.4 | G108 L110 K137 A139 D160 N166 | G108-L133 PolarHBondContact O-N 2.78Å; L110-L133 HydrophobicContact CD1-CD2 4.15Å; L110-L133 HydrophobicContact CD2-CD1 4.42Å; L110-L133 HydrophobicContact CG-CD1 4.34Å; L110-L133 HydrophobicContact CG-CD2 4.12Å; L110-L133 HydrophobicContact CG-CG 4.4Å; L133-K137 HydrophobicContact CB-CD 4.49Å; L133-K137 PolarHBondContact O-NZ 3.33Å; L133-A139 HydrophobicContact CD1-CB 3.67Å; L133-D160 HydrophobicContact CD1-CB 4.19Å; L133-N166 HydrophobicContact CD2-CB 4.45Å | ||
| 134 | G | 91.4 | Very high | 96.4 | Very high | 31 Ų | 31 | 39.7 Ų | 39.7 | 32% | 0.32 | 25% | 0.245 | S | C | . | . | trans | 143.8 | 168.3 | 178.4 | 0 | 0 | 0 | 0 | 0 | 111.7 | G132 | G132-G134 VanDerWaalsContact C-N 3.32Š| ||
| 135 | P | 91.5 | Very high | 96.4 | Very high | 110 Ų | 110 | 38.5 Ų | 38.5 | 71% | 0.714 | 23% | 0.234 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -65.7 | 151.2 | 171.7 | 30.5 | -35.2 | 0 | 0 | 0 | 110.9 | K137 | P135-K137 VanDerWaalsContact C-N 3.26Å; P135-K137 PolarHBondContact O-N 3.31Å; P135-K137 VanDerWaalsContact O-N 3.16Å |
| 136 | D | 89.9 | Confident | 96.3 | Very high | 169 Ų | 169 | 38 Ų | 38 | 90% | 0.904 | 23% | 0.232 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 54.5 | 34.4 | 168.5 | -48.9 | -42.9 | 0 | 0 | 0 | 115.3 | ||
| 137 | K | 94.7 | Very high | 96 | Very high | 32 Ų | 32 | 33.1 Ų | 33.1 | 14% | 0.139 | 21% | 0.212 | C | C | . | . | trans | -119.1 | 154.8 | 177.6 | -71.8 | 173.8 | 175.2 | -165.1 | 0 | 111.9 | G108 L133 P135 D160 A162 | G108-K137 WeakPolarHBondContact CA-O 3.34Å; G108-K137 PolarHBondContact N-O 3.49Å; L133-K137 HydrophobicContact CB-CD 4.49Å; L133-K137 PolarHBondContact O-NZ 3.33Å; P135-K137 VanDerWaalsContact C-N 3.26Å; P135-K137 PolarHBondContact O-N 3.31Å; P135-K137 VanDerWaalsContact O-N 3.16Å; K137-D160 HydrophobicContact CD-CB 4.12Å; K137-D160 WeakPolarHBondContact CE-OD2 3.5Å; K137-D160 IonicContact NZ-OD1 3.7Å; K137-D160 IonicContact NZ-OD2 3.01Å; K137-D160 PolarHBondContact NZ-OD2 3.49Å; K137-A162 HydrophobicContact CD-CB 4.34Å; K137-A162 HydrophobicContact CG-CB 4.09Å | ||
| 138 | L | 97.8 | Very high | 95.7 | Very high | 29 Ų | 29 | 34.4 Ų | 34.4 | 15% | 0.152 | 21% | 0.207 | C | C | . | . | trans | -97.3 | 142.5 | 158.5 | -45.2 | 179.9 | 0 | 0 | 0 | 108.8 | L86 A106 L140 D160 S161 | L86-L138 HydrophobicContact CD2-CB 4.44Å; L86-L138 HydrophobicContact CD2-CD1 4.42Å; A106-L138 HydrophobicContact CB-CD2 4.17Å; A106-L138 WeakPolarHBondContact O-CD2 3.3Å; L138-L140 HydrophobicContact CB-CD2 3.82Å; L138-L140 HydrophobicContact CD1-CD2 4.34Å; L138-D160 VanDerWaalsContact O-CA 3.23Å; L138-D160 WeakPolarHBondContact O-CA 3.22Å; L138-D160 VanDerWaalsContact O-CB 3.3Å; L138-D160 WeakPolarHBondContact O-CB 3.41Å; L138-S161 PolarHBondContact N-OG 3.1Å; L138-S161 PolarHBondContact O-N 2.85Å | ||
| 139 | A | 98.5 | Very high | 95 | Very high | 0 Ų | 0 | 34.9 Ų | 34.9 | 0% | 0 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.8 | 121.5 | 162.4 | 0 | 0 | 0 | 0 | 0 | 107.7 | A104 T105 E109 L110 L133 | A104-A139 HydrophobicContact CB-CB 3.81Å; T105-A139 PolarHBondContact O-N 3.11Å; E109-A139 WeakPolarHBondContact O-CB 3.42Å; L110-A139 HydrophobicContact CD2-CB 4.04Å; L133-A139 HydrophobicContact CD1-CB 3.67Å |
| 140 | L | 98.8 | Very high | 93.7 | Very high | 6 Ų | 6 | 39.2 Ų | 39.2 | 3% | 0.031 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98 | -36.9 | -169.2 | -61.1 | -174.6 | 0 | 0 | 0 | 113.3 | L86 L138 S159 E187 A188 W189 | L86-L140 HydrophobicContact CD2-CD2 3.53Å; L138-L140 HydrophobicContact CB-CD2 3.82Å; L138-L140 HydrophobicContact CD1-CD2 4.34Å; L140-S159 PolarHBondContact N-O 2.87Å; L140-E187 HydrophobicContact CD1-CB 3.97Å; L140-E187 HydrophobicContact CD1-CG 4.18Å; L140-A188 WeakPolarHBondContact CD1-O 3.3Å; L140-W189 HydrophobicContact CD1-CE3 3.99Å; L140-W189 HydrophobicContact CD1-CZ3 4.31Å; L140-W189 HydrophobicContact CD2-CE3 4.37Å; L140-W189 HydrophobicContact CD2-CZ3 4.07Å |
| 141 | S | 98.8 | Very high | 92.6 | Very high | 0 Ų | 0 | 38.2 Ų | 38.2 | 0% | 0 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -150.4 | 163 | 178 | 73.5 | 0 | 0 | 0 | 0 | 112.5 | S158 S159 I190 S191 | S141-S158 VanDerWaalsContact O-CA 3.24Å; S141-S158 WeakPolarHBondContact O-CA 3.5Å; S141-S158 VanDerWaalsContact O-CB 3.22Å; S141-S158 WeakPolarHBondContact O-CB 3.03Å; S141-S159 PolarHBondContact N-OG 3.01Å; S141-S159 PolarHBondContact O-N 2.81Å; S141-S159 PolarHBondContact OG-OG 2.93Å; S141-I190 WeakPolarHBondContact OG-CA 3.14Å; S141-S191 PolarHBondContact OG-N 3.44Å; S141-S191 PolarHBondContact OG-OG 3.33Å |
| 142 | L | 98.7 | Very high | 91.5 | Very high | 2 Ų | 2 | 42.2 Ų | 42.2 | 1% | 0.01 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.2 | 149.8 | 164.3 | 69.8 | 97.8 | 0 | 0 | 0 | 112 | D87 K89 G102 M103 A104 L110 V156 V157 | D87-L142 PolarHBondContact OD2-N 2.93Å; K89-L142 HydrophobicContact CB-CD1 3.89Å; K89-L142 WeakPolarHBondContact CD-O 3.44Å; K89-L142 WeakPolarHBondContact CE-O 3.15Å; K89-L142 HydrophobicContact CG-CD1 4.32Å; G102-L142 VanDerWaalsContact C-CD2 3.45Å; M103-L142 VanDerWaalsContact C-CD2 3.44Å; A104-L142 HydrophobicContact CB-CD2 4.06Å; L110-L142 HydrophobicContact CD2-CB 4.3Å; L110-L142 HydrophobicContact CD2-CD2 4.23Å; L142-V156 HydrophobicContact CB-CG1 4.05Å; L142-V157 CarbonylContact C-O 3.46Å; L142-V157 WeakPolarHBondContact CA-O 3.5Å |
| 143 | D | 98.6 | Very high | 91.1 | Very high | 4 Ų | 4 | 42.9 Ų | 42.9 | 2% | 0.021 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.8 | 156.5 | 172 | -177.5 | 37.4 | 0 | 0 | 0 | 112 | V156 V157 A192 F193 | D143-V156 CarbonylContact O-C 3.57Å; D143-V156 WeakPolarHBondContact O-CA 3.46Å; D143-V157 HydrophobicContact CB-CG1 3.8Å; D143-V157 PolarHBondContact N-O 2.82Å; D143-V157 PolarHBondContact O-N 3.03Å; D143-A192 WeakPolarHBondContact OD2-CA 3.37Å; D143-F193 PolarHBondContact OD2-N 2.8Å |
| 144 | W | 98.1 | Very high | 91.1 | Very high | 0 Ų | 0 | 43.5 Ų | 43.5 | 0% | 0 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.9 | 138.7 | -171.9 | -65 | 98.1 | 0 | 0 | 0 | 112.3 | K89 C91 L100 L112 T146 V154 V156 L170 F193 | K89-W144 PolarHBondContact O-NE1 2.95Å; C91-W144 HydrophobicContact CB-CD2 3.83Å; C91-W144 HydrophobicContact CB-CE3 4.09Å; C91-W144 HydrophobicContact CB-CG 4.31Å; C91-W144 HydrophobicContact CB-CH2 4.26Å; C91-W144 HydrophobicContact CB-CZ2 4Å; C91-W144 HydrophobicContact CB-CZ3 4.3Å; L100-W144 HydrophobicContact CD2-CH2 3.71Å; L100-W144 HydrophobicContact CD2-CZ3 4.29Å; L100-W144 HydrophobicContact CG-CH2 4.16Å; L112-W144 HydrophobicContact CD1-CH2 4.23Å; L112-W144 HydrophobicContact CD2-CH2 3.74Å; L112-W144 HydrophobicContact CD2-CZ2 3.99Å; W144-T146 WeakPolarHBondContact CB-OG1 3.31Å; W144-T146 PolarHBondContact O-N 2.88Å; W144-V154 HydrophobicContact CE3-CG1 3.75Å; W144-V154 HydrophobicContact CZ3-CG1 3.72Å; W144-V156 HydrophobicContact CD2-CG2 4.18Å; W144-V156 HydrophobicContact CE3-CG2 3.59Å; W144-V156 HydrophobicContact CH2-CG2 3.85Å; W144-V156 HydrophobicContact CZ2-CG2 4.4Å; W144-V156 HydrophobicContact CZ3-CG2 3.4Å; W144-L170 HydrophobicContact CZ3-CD2 4.21Å; W144-F193 VanDerWaalsContact C-CD2 3.46Å |
| 145 | S | 97 | Very high | 91.3 | Very high | 6 Ų | 6 | 42.6 Ų | 42.6 | 4% | 0.042 | 25% | 0.25 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -63.8 | 2.6 | 172 | 68.3 | 0 | 0 | 0 | 0 | 114.3 | D153 R155 F193 T198 | S145-D153 PolarHBondContact OG-O 2.81Å; S145-R155 PolarHBondContact N-O 3Å; S145-R155 PolarHBondContact OG-N 2.87Å; S145-R155 PolarHBondContact OG-O 2.83Å; S145-F193 VanDerWaalsContact N-CD2 3.33Å; S145-T198 WeakPolarHBondContact O-CG2 3.47Å |
| 146 | T | 95.9 | Very high | 91.7 | Very high | 0 Ų | 0 | 37.4 Ų | 37.4 | 0% | 0 | 22% | 0.216 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -101.6 | 4.8 | -169 | 56.5 | 0 | 0 | 0 | 0 | 113.9 | C91 H92 V93 W144 R148 G149 V154 | C91-T146 PolarHBondContact SG-OG1 3.31Å; H92-T146 VanDerWaalsContact CB-O 3.29Å; H92-T146 WeakPolarHBondContact CB-O 3.36Å; H92-T146 PolarHBondContact N-OG1 2.92Å; H92-T146 PolarHBondContact ND1-OG1 3Å; V93-T146 HydrophobicContact CG2-CG2 3.62Å; W144-T146 WeakPolarHBondContact CB-OG1 3.31Å; W144-T146 PolarHBondContact O-N 2.88Å; T146-R148 PolarHBondContact O-N 2.87Å; T146-G149 PolarHBondContact O-N 2.86Å; T146-V154 HydrophobicContact CG2-CB 4.45Å; T146-V154 HydrophobicContact CG2-CG1 4.11Å; T146-V154 HydrophobicContact CG2-CG2 3.97Å |
| 147 | G | 90.1 | Very high | 92.1 | Very high | 9 Ų | 9 | 29.4 Ų | 29.4 | 9% | 0.093 | 17% | 0.173 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -50.7 | -8.3 | -170 | 0 | 0 | 0 | 0 | 0 | 119.6 | Y195 | G147-Y195 WeakPolarHBondContact O-CD2 3.28Š|
| 148 | R | 90.3 | Very high | 92.3 | Very high | 106 Ų | 106 | 27.9 Ų | 27.9 | 40% | 0.4 | 17% | 0.167 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -119.2 | 17.7 | 171.6 | -62.2 | -173.6 | 70 | -125.7 | -5 | 114.4 | T146 N150 Y195 W196 | T146-R148 PolarHBondContact O-N 2.87Å; R148-N150 VanDerWaalsContact C-N 3.33Å; R148-N150 PolarHBondContact O-N 3Å; R148-N150 PolarHBondContact O-OD1 2.83Å; R148-Y195 WeakPolarHBondContact CD-O 3.37Å; R148-Y195 VanDerWaalsContact CG-O 3.24Å; R148-Y195 WeakPolarHBondContact CG-O 3.1Å; R148-W196 VanDerWaalsContact NH2-CH2 3.33Å |
| 149 | G | 81.7 | Confident | 92.3 | Very high | 45 Ų | 45 | 26.5 Ų | 26.5 | 46% | 0.464 | 16% | 0.159 | S | C | . | . | S | Bend | trans | 75.1 | 11.4 | 175.2 | 0 | 0 | 0 | 0 | 0 | 115.6 | V93 T146 | V93-G149 VanDerWaalsContact CG1-O 3.29Å; V93-G149 WeakPolarHBondContact CG1-O 3.34Å; T146-G149 PolarHBondContact O-N 2.86Å |
| 150 | N | 69 | Low | 92.3 | Very high | 116 Ų | 116 | 26.5 Ų | 26.5 | 62% | 0.62 | 16% | 0.159 | S | C | * | . | trans | -143.8 | 39.6 | -162.2 | 69.2 | -19 | 0 | 0 | 0 | 116.2 | R148 | R148-N150 VanDerWaalsContact C-N 3.33Å; R148-N150 PolarHBondContact O-N 3Å; R148-N150 PolarHBondContact O-OD1 2.83Å | ||
| 151 | S | 73.6 | Confident | 92.3 | Very high | 29 Ų | 29 | 27.2 Ų | 27.2 | 20% | 0.203 | 17% | 0.165 | C | C | . | . | trans | -102.4 | 130.9 | 168.5 | -165.3 | 0 | 0 | 0 | 0 | 112.3 | D153 | S151-D153 VanDerWaalsContact C-N 3.34Å; S151-D153 PolarHBondContact OG-N 3.41Å; S151-D153 VanDerWaalsContact OG-N 3.15Å; S151-D153 PolarHBondContact OG-O 2.81Å | ||
| 152 | S | 75 | Confident | 92.3 | Very high | 132 Ų | 132 | 29.2 Ų | 29.2 | 92% | 0.923 | 18% | 0.181 | S | C | * | . | S | Bend | trans | -83.2 | -11.7 | 166.2 | 52.8 | 0 | 0 | 0 | 0 | 113.3 | ||
| 153 | D | 88.2 | Confident | 92.3 | Very high | 64 Ų | 64 | 29.1 Ų | 29.1 | 34% | 0.342 | 18% | 0.181 | S | C | . | . | S | Bend | trans | -117.4 | 95.9 | 177.2 | 165.5 | 41.1 | 0 | 0 | 0 | 108.1 | S145 S151 R155 | S145-D153 PolarHBondContact OG-O 2.81Å; S151-D153 VanDerWaalsContact C-N 3.34Å; S151-D153 PolarHBondContact OG-N 3.41Å; S151-D153 VanDerWaalsContact OG-N 3.15Å; S151-D153 PolarHBondContact OG-O 2.81Å; D153-R155 PolarHBondContact O-N 2.91Å; D153-R155 IonicContact OD1-NE 2.87Å; D153-R155 IonicContact OD2-CZ 3.03Å; D153-R155 IonicContact OD2-NE 2.94Å; D153-R155 PolarHBondContact OD2-NE 2.86Å; D153-R155 IonicContact OD2-NH2 2.68Å; D153-R155 PolarHBondContact OD2-NH2 2.9Å; D153-R155 VanDerWaalsContact OD2-NH2 3.1Å |
| 154 | V | 94.9 | Very high | 92.2 | Very high | 23 Ų | 23 | 29.8 Ų | 29.8 | 14% | 0.139 | 19% | 0.186 | C | C | . | . | trans | -82.6 | 113.5 | -178.9 | -176.6 | 0 | 0 | 0 | 0 | 108.5 | V93 W144 T146 L170 | V93-V154 HydrophobicContact CG2-CG2 4.47Å; W144-V154 HydrophobicContact CE3-CG1 3.75Å; W144-V154 HydrophobicContact CZ3-CG1 3.72Å; T146-V154 HydrophobicContact CG2-CB 4.45Å; T146-V154 HydrophobicContact CG2-CG1 4.11Å; T146-V154 HydrophobicContact CG2-CG2 3.97Å; V154-L170 HydrophobicContact CB-CB 4.31Å; V154-L170 HydrophobicContact CB-CD2 4.29Å; V154-L170 HydrophobicContact CG1-CB 4.26Å; V154-L170 HydrophobicContact CG1-CD2 3.79Å; V154-L170 WeakPolarHBondContact O-CB 3.34Å; V154-L170 PolarHBondContact O-N 3.07Å | ||
| 155 | R | 96.9 | Very high | 92.3 | Very high | 13 Ų | 13 | 29.8 Ų | 29.8 | 5% | 0.049 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.1 | 150.6 | 178 | -75.4 | -172.5 | -83.8 | 118.5 | 9.6 | 110.2 | S145 D153 L168 F193 T198 Q199 | S145-R155 PolarHBondContact N-O 3Å; S145-R155 PolarHBondContact OG-N 2.87Å; S145-R155 PolarHBondContact OG-O 2.83Å; D153-R155 PolarHBondContact O-N 2.91Å; D153-R155 IonicContact OD1-NE 2.87Å; D153-R155 IonicContact OD2-CZ 3.03Å; D153-R155 IonicContact OD2-NE 2.94Å; D153-R155 PolarHBondContact OD2-NE 2.86Å; D153-R155 IonicContact OD2-NH2 2.68Å; D153-R155 PolarHBondContact OD2-NH2 2.9Å; D153-R155 VanDerWaalsContact OD2-NH2 3.1Å; R155-L168 CarbonylContact C-O 3.6Å; R155-L168 WeakPolarHBondContact CA-O 3.17Å; R155-L168 VanDerWaalsContact CB-O 3.22Å; R155-L168 WeakPolarHBondContact CB-O 3.47Å; R155-L168 WeakPolarHBondContact CG-O 3.34Å; R155-F193 HydrophobicContact CB-CE2 4.4Å; R155-F193 HydrophobicContact CB-CZ 3.96Å; R155-T198 PolarHBondContact NH1-O 2.86Å; R155-T198 PolarHBondContact NH2-O 2.97Å; R155-T198 VanDerWaalsContact NH2-O 3.11Å; R155-T198 PolarHBondContact NH2-OG1 3.13Å; R155-Q199 VanDerWaalsContact NH2-NE2 3.15Å |
| 156 | V | 98.3 | Very high | 92.3 | Very high | 1 Ų | 1 | 29.8 Ų | 29.8 | 1% | 0.006 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.2 | 133.7 | 171.5 | 178.7 | 0 | 0 | 0 | 0 | 107.6 | L110 L142 D143 W144 L168 L175 | L110-V156 HydrophobicContact CD1-CG1 4.15Å; L142-V156 HydrophobicContact CB-CG1 4.05Å; D143-V156 CarbonylContact O-C 3.57Å; D143-V156 WeakPolarHBondContact O-CA 3.46Å; W144-V156 HydrophobicContact CD2-CG2 4.18Å; W144-V156 HydrophobicContact CE3-CG2 3.59Å; W144-V156 HydrophobicContact CH2-CG2 3.85Å; W144-V156 HydrophobicContact CZ2-CG2 4.4Å; W144-V156 HydrophobicContact CZ3-CG2 3.4Å; V156-L168 HydrophobicContact CB-CB 4.41Å; V156-L168 HydrophobicContact CB-CD1 4.49Å; V156-L168 PolarHBondContact N-O 2.87Å; V156-L168 PolarHBondContact O-N 3.03Å; V156-L175 HydrophobicContact CB-CD2 4.43Å; V156-L175 HydrophobicContact CG2-CD2 4.04Å |
| 157 | V | 98.6 | Very high | 92.4 | Very high | 0 Ų | 0 | 29.9 Ų | 29.9 | 0% | 0 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.9 | 143.9 | 159.4 | 66.1 | 0 | 0 | 0 | 0 | 107.8 | L142 D143 V165 N166 V167 F193 V201 | L142-V157 CarbonylContact C-O 3.46Å; L142-V157 WeakPolarHBondContact CA-O 3.5Å; D143-V157 HydrophobicContact CB-CG1 3.8Å; D143-V157 PolarHBondContact N-O 2.82Å; D143-V157 PolarHBondContact O-N 3.03Å; V157-V165 HydrophobicContact CG2-CG1 3.64Å; V157-N166 CarbonylContact C-O 3.49Å; V157-N166 VanDerWaalsContact CA-O 3.28Å; V157-N166 WeakPolarHBondContact CA-O 3.46Å; V157-N166 WeakPolarHBondContact CG2-O 3.19Å; V157-V167 HydrophobicContact CB-CG2 4.39Å; V157-V167 HydrophobicContact CG2-CG2 4.04Å; V157-F193 HydrophobicContact CB-CD2 4.13Å; V157-F193 HydrophobicContact CB-CE2 3.72Å; V157-F193 HydrophobicContact CB-CZ 4.02Å; V157-F193 HydrophobicContact CG1-CD2 3.68Å; V157-F193 HydrophobicContact CG1-CE2 3.79Å; V157-F193 HydrophobicContact CG1-CG 4.34Å; V157-F193 HydrophobicContact CG1-CZ 4.48Å; V157-V201 HydrophobicContact CG2-CG1 3.8Å; V157-V201 HydrophobicContact CG2-CG2 4.38Å |
| 158 | S | 98.7 | Very high | 92.8 | Very high | 0 Ų | 0 | 29.5 Ų | 29.5 | 0% | 0 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.6 | 160.6 | 173.1 | 73.8 | 0 | 0 | 0 | 0 | 112.4 | S141 V165 N166 S191 | S141-S158 VanDerWaalsContact O-CA 3.24Å; S141-S158 WeakPolarHBondContact O-CA 3.5Å; S141-S158 VanDerWaalsContact O-CB 3.22Å; S141-S158 WeakPolarHBondContact O-CB 3.03Å; S158-V165 CarbonylContact O-C 3.44Å; S158-V165 WeakPolarHBondContact O-CA 3.32Å; S158-N166 PolarHBondContact N-O 3.09Å; S158-N166 PolarHBondContact O-N 3.4Å; S158-N166 PolarHBondContact O-ND2 3.09Å; S158-N166 PolarHBondContact OG-ND2 2.97Å; S158-S191 VanDerWaalsContact CA-OG 3.28Å; S158-S191 WeakPolarHBondContact CA-OG 3.39Å |
| 159 | S | 98.8 | Very high | 93.1 | Very high | 0 Ų | 0 | 26 Ų | 26 | 0% | 0 | 17% | 0.174 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.9 | 155.8 | 176.2 | 67 | 0 | 0 | 0 | 0 | 112.2 | L140 S141 C164 A188 S191 | L140-S159 PolarHBondContact N-O 2.87Å; S141-S159 PolarHBondContact N-OG 3.01Å; S141-S159 PolarHBondContact O-N 2.81Å; S141-S159 PolarHBondContact OG-OG 2.93Å; S159-C164 WeakPolarHBondContact CA-O 3.42Å; S159-A188 WeakPolarHBondContact CB-O 3.48Å; S159-A188 PolarHBondContact OG-O 3.33Å; S159-S191 PolarHBondContact N-OG 2.8Å |
| 160 | D | 98.8 | Very high | 93.7 | Very high | 0 Ų | 0 | 25.1 Ų | 25.1 | 0% | 0 | 16% | 0.158 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.4 | 164.9 | -179.5 | 66.9 | 46 | 0 | 0 | 0 | 114.4 | L133 K137 L138 A162 G163 C164 A188 | L133-D160 HydrophobicContact CD1-CB 4.19Å; K137-D160 HydrophobicContact CD-CB 4.12Å; K137-D160 WeakPolarHBondContact CE-OD2 3.5Å; K137-D160 IonicContact NZ-OD1 3.7Å; K137-D160 IonicContact NZ-OD2 3.01Å; K137-D160 PolarHBondContact NZ-OD2 3.49Å; L138-D160 VanDerWaalsContact O-CA 3.23Å; L138-D160 WeakPolarHBondContact O-CA 3.22Å; L138-D160 VanDerWaalsContact O-CB 3.3Å; L138-D160 WeakPolarHBondContact O-CB 3.41Å; D160-A162 PolarHBondContact O-N 2.77Å; D160-A162 WeakPolarHBondContact OD1-CA 3.49Å; D160-A162 WeakPolarHBondContact OD1-CB 3.43Å; D160-A162 PolarHBondContact OD1-N 2.86Å; D160-G163 PolarHBondContact O-N 3.08Å; D160-G163 PolarHBondContact OD1-N 3.32Å; D160-C164 PolarHBondContact N-O 3.4Å; D160-C164 WeakPolarHBondContact OD1-CB 3.22Å; D160-C164 PolarHBondContact OD1-N 2.81Å; D160-C164 WeakPolarHBondContact OD2-CB 3.5Å; D160-A188 PolarHBondContact O-N 3.05Å |
| 161 | S | 98.5 | Very high | 94.8 | Very high | 22 Ų | 22 | 21.1 Ų | 21.1 | 15% | 0.154 | 14% | 0.144 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -67.2 | -17.1 | -179.9 | 63.7 | 0 | 0 | 0 | 0 | 114.1 | L138 G163 | L138-S161 PolarHBondContact N-OG 3.1Å; L138-S161 PolarHBondContact O-N 2.85Å; S161-G163 PolarHBondContact O-N 2.84Å |
| 162 | A | 98.3 | Very high | 95.2 | Very high | 41 Ų | 41 | 27.8 Ų | 27.8 | 34% | 0.339 | 17% | 0.172 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -78.9 | 7.6 | 169.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | K137 D160 C164 K182 | K137-A162 HydrophobicContact CD-CB 4.34Å; K137-A162 HydrophobicContact CG-CB 4.09Å; D160-A162 PolarHBondContact O-N 2.77Å; D160-A162 WeakPolarHBondContact OD1-CA 3.49Å; D160-A162 WeakPolarHBondContact OD1-CB 3.43Å; D160-A162 PolarHBondContact OD1-N 2.86Å; A162-C164 VanDerWaalsContact C-N 3.28Å; A162-C164 PolarHBondContact O-N 2.75Å; A162-K182 WeakPolarHBondContact O-CD 3.42Å; A162-K182 WeakPolarHBondContact O-CE 3.42Å; A162-K182 PolarHBondContact O-NZ 2.94Å |
| 163 | G | 98.3 | Very high | 95.6 | Very high | 0 Ų | 0 | 25.5 Ų | 25.5 | 0% | 0 | 15% | 0.149 | C | C | . | . | S | Bend | trans | 75.2 | 14.3 | 178.8 | 0 | 0 | 0 | 0 | 0 | 113.9 | D160 S161 A183 H184 F186 | D160-G163 PolarHBondContact O-N 3.08Å; D160-G163 PolarHBondContact OD1-N 3.32Å; S161-G163 PolarHBondContact O-N 2.84Å; G163-A183 WeakPolarHBondContact O-CA 3.37Å; G163-A183 PolarHBondContact O-N 2.66Å; G163-H184 PolarHBondContact O-N 2.73Å; G163-F186 WeakPolarHBondContact CA-O 3.43Å |
| 164 | C | 98.4 | Very high | 95.8 | Very high | 18 Ų | 18 | 25 Ų | 25 | 12% | 0.122 | 15% | 0.151 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.1 | 153.3 | 177.2 | -66.8 | 0 | 0 | 0 | 0 | 111.8 | S159 D160 A162 W181 | S159-C164 WeakPolarHBondContact CA-O 3.42Å; D160-C164 PolarHBondContact N-O 3.4Å; D160-C164 WeakPolarHBondContact OD1-CB 3.22Å; D160-C164 PolarHBondContact OD1-N 2.81Å; D160-C164 WeakPolarHBondContact OD2-CB 3.5Å; A162-C164 VanDerWaalsContact C-N 3.28Å; A162-C164 PolarHBondContact O-N 2.75Å; C164-W181 CarbonylContact C-O 3.55Å; C164-W181 WeakPolarHBondContact CA-O 3.27Å; C164-W181 WeakPolarHBondContact CB-O 3.08Å |
| 165 | V | 98.7 | Very high | 95.8 | Very high | 0 Ų | 0 | 24.4 Ų | 24.4 | 0% | 0 | 15% | 0.147 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.8 | 142.8 | 166.6 | 173.1 | 0 | 0 | 0 | 0 | 108.4 | V157 S158 Q180 W181 A183 V201 | V157-V165 HydrophobicContact CG2-CG1 3.64Å; S158-V165 CarbonylContact O-C 3.44Å; S158-V165 WeakPolarHBondContact O-CA 3.32Å; V165-Q180 WeakPolarHBondContact O-CA 3.47Å; V165-W181 HydrophobicContact CB-CD2 4.31Å; V165-W181 HydrophobicContact CB-CH2 4.2Å; V165-W181 HydrophobicContact CB-CZ2 3.82Å; V165-W181 HydrophobicContact CG1-CH2 3.56Å; V165-W181 HydrophobicContact CG1-CZ2 3.54Å; V165-W181 HydrophobicContact CG1-CZ3 4.16Å; V165-W181 PolarHBondContact N-O 3.25Å; V165-W181 PolarHBondContact O-N 2.94Å; V165-A183 HydrophobicContact CB-CB 3.96Å; V165-A183 HydrophobicContact CG2-CB 3.5Å; V165-V201 HydrophobicContact CG1-CG1 4.28Å |
| 166 | N | 98.3 | Very high | 95.8 | Very high | 6 Ų | 6 | 27.1 Ų | 27.1 | 3% | 0.032 | 17% | 0.165 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.3 | 140.2 | -175.9 | -48 | -90.4 | 0 | 0 | 0 | 108.4 | L133 V157 S158 L168 S179 Q180 | L133-N166 HydrophobicContact CD2-CB 4.45Å; V157-N166 CarbonylContact C-O 3.49Å; V157-N166 VanDerWaalsContact CA-O 3.28Å; V157-N166 WeakPolarHBondContact CA-O 3.46Å; V157-N166 WeakPolarHBondContact CG2-O 3.19Å; S158-N166 PolarHBondContact N-O 3.09Å; S158-N166 PolarHBondContact O-N 3.4Å; S158-N166 PolarHBondContact O-ND2 3.09Å; S158-N166 PolarHBondContact OG-ND2 2.97Å; N166-L168 HydrophobicContact CB-CD2 4.25Å; N166-S179 CarbonylContact C-O 3.51Å; N166-S179 WeakPolarHBondContact CA-O 3.37Å; N166-Q180 WeakPolarHBondContact OD1-CG 3.35Å; N166-Q180 PolarHBondContact OD1-NE2 2.91Å |
| 167 | V | 98.2 | Very high | 95.6 | Very high | 2 Ų | 2 | 30.9 Ų | 30.9 | 1% | 0.012 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.8 | 129.1 | 168.1 | 174.1 | 0 | 0 | 0 | 0 | 108.4 | V157 V178 S179 W181 F193 V201 L215 | V157-V167 HydrophobicContact CB-CG2 4.39Å; V157-V167 HydrophobicContact CG2-CG2 4.04Å; V167-V178 WeakPolarHBondContact O-CA 3.49Å; V167-V178 WeakPolarHBondContact O-CB 3.28Å; V167-V178 PolarHBondContact O-N 3.25Å; V167-S179 PolarHBondContact N-O 2.93Å; V167-S179 PolarHBondContact O-N 2.89Å; V167-S179 VanDerWaalsContact O-N 3.09Å; V167-W181 HydrophobicContact CG2-CH2 3.91Å; V167-W181 HydrophobicContact CG2-CZ3 3.91Å; V167-F193 HydrophobicContact CG1-CZ 4.39Å; V167-V201 HydrophobicContact CG2-CG2 4.29Å; V167-L215 HydrophobicContact CG1-CD1 4.14Å; V167-L215 HydrophobicContact CG2-CD1 4.13Å; V167-L215 HydrophobicContact CG2-CD2 3.99Å |
| 168 | L | 97.9 | Very high | 95.5 | Very high | 2 Ų | 2 | 35.3 Ų | 35.3 | 1% | 0.01 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.3 | 142.3 | -169.6 | -45.5 | 173.9 | 0 | 0 | 0 | 109.8 | L110 L131 R155 V156 N166 L175 T176 A177 | L110-L168 HydrophobicContact CD1-CD1 3.38Å; L131-L168 HydrophobicContact CD2-CD1 4.03Å; L131-L168 HydrophobicContact CD2-CD2 4.03Å; R155-L168 CarbonylContact C-O 3.6Å; R155-L168 WeakPolarHBondContact CA-O 3.17Å; R155-L168 VanDerWaalsContact CB-O 3.22Å; R155-L168 WeakPolarHBondContact CB-O 3.47Å; R155-L168 WeakPolarHBondContact CG-O 3.34Å; V156-L168 HydrophobicContact CB-CB 4.41Å; V156-L168 HydrophobicContact CB-CD1 4.49Å; V156-L168 PolarHBondContact N-O 2.87Å; V156-L168 PolarHBondContact O-N 3.03Å; N166-L168 HydrophobicContact CB-CD2 4.25Å; L168-L175 HydrophobicContact CB-CD2 4.1Å; L168-L175 HydrophobicContact CD1-CD1 4.18Å; L168-L175 HydrophobicContact CD1-CD2 4.39Å; L168-T176 CarbonylContact C-O 3.57Å; L168-T176 WeakPolarHBondContact CA-O 3.21Å; L168-A177 HydrophobicContact CD2-CB 3.97Å |
| 169 | S | 96.1 | Very high | 95.4 | Very high | 33 Ų | 33 | 36.6 Ų | 36.6 | 23% | 0.231 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.6 | 137.7 | 171.4 | -176.6 | 0 | 0 | 0 | 0 | 110.8 | T176 | S169-T176 PolarHBondContact N-O 3.23Å; S169-T176 PolarHBondContact O-N 2.86Å; S169-T176 PolarHBondContact O-OG1 2.99Å; S169-T176 VanDerWaalsContact O-OG1 3.1Å |
| 170 | L | 95.4 | Very high | 95.3 | Very high | 26 Ų | 26 | 41.9 Ų | 41.9 | 14% | 0.136 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.7 | 103.7 | 176.6 | -177.9 | 59.3 | 0 | 0 | 0 | 110 | V95 L100 L112 W144 V154 L175 | V95-L170 HydrophobicContact CG1-CD2 4.03Å; V95-L170 HydrophobicContact CG2-CD2 4.25Å; L100-L170 HydrophobicContact CD2-CD2 3.58Å; L112-L170 HydrophobicContact CD1-CD1 3.56Å; W144-L170 HydrophobicContact CZ3-CD2 4.21Å; V154-L170 HydrophobicContact CB-CB 4.31Å; V154-L170 HydrophobicContact CB-CD2 4.29Å; V154-L170 HydrophobicContact CG1-CB 4.26Å; V154-L170 HydrophobicContact CG1-CD2 3.79Å; V154-L170 WeakPolarHBondContact O-CB 3.34Å; V154-L170 PolarHBondContact O-N 3.07Å; L170-L175 HydrophobicContact CD1-CD2 4.33Å |
| 171 | G | 90.4 | Very high | 95.3 | Very high | 32 Ų | 32 | 42.7 Ų | 42.7 | 33% | 0.33 | 26% | 0.26 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.8 | 176.1 | 161.6 | 0 | 0 | 0 | 0 | 0 | 111.5 | N173 S174 | G171-N173 PolarHBondContact O-N 2.7Å; G171-S174 PolarHBondContact N-O 2.86Å; G171-S174 PolarHBondContact O-N 3.1Å |
| 172 | E | 83.4 | Confident | 95.2 | Very high | 169 Ų | 169 | 47 Ų | 47 | 79% | 0.79 | 28% | 0.276 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -47.3 | -38.7 | -170.4 | -168.1 | 179.5 | 172.6 | 0 | 0 | 114.9 | ||
| 173 | N | 82.6 | Confident | 95.2 | Very high | 83 Ų | 83 | 45.2 Ų | 45.2 | 44% | 0.444 | 26% | 0.262 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -146.5 | 34 | 170.4 | -68.3 | -75.1 | 0 | 0 | 0 | 112.4 | R114 V128 G171 | R114-N173 PolarHBondContact NH2-OD1 3.41Å; V128-N173 HydrophobicContact CG1-CB 3.78Å; V128-N173 WeakPolarHBondContact CG1-OD1 3.46Å; G171-N173 PolarHBondContact O-N 2.7Å |
| 174 | S | 92.4 | Very high | 95.3 | Very high | 53 Ų | 53 | 45.2 Ų | 45.2 | 37% | 0.371 | 26% | 0.262 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -151.2 | 142.9 | -176.1 | 55.7 | 0 | 0 | 0 | 0 | 113.7 | G171 | G171-S174 PolarHBondContact N-O 2.86Å; G171-S174 PolarHBondContact O-N 3.1Å |
| 175 | L | 96 | Very high | 95.2 | Very high | 11 Ų | 11 | 49.4 Ų | 49.4 | 6% | 0.058 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.3 | 136.9 | 166.6 | -75.7 | 172.5 | 0 | 0 | 0 | 110.2 | L110 L112 T129 L131 V156 L168 L170 | L110-L175 HydrophobicContact CB-CD1 4.19Å; L112-L175 HydrophobicContact CD1-CD1 3.93Å; L112-L175 HydrophobicContact CD1-CD2 3.94Å; L112-L175 HydrophobicContact CD1-CG 3.73Å; L112-L175 HydrophobicContact CD2-CD1 4.22Å; L112-L175 HydrophobicContact CG-CD1 3.88Å; L112-L175 HydrophobicContact CG-CG 4.23Å; T129-L175 HydrophobicContact CG2-CG 4.22Å; L131-L175 HydrophobicContact CB-CB 4.2Å; L131-L175 HydrophobicContact CB-CD1 4.43Å; L131-L175 HydrophobicContact CD2-CB 3.74Å; V156-L175 HydrophobicContact CB-CD2 4.43Å; V156-L175 HydrophobicContact CG2-CD2 4.04Å; L168-L175 HydrophobicContact CB-CD2 4.1Å; L168-L175 HydrophobicContact CD1-CD1 4.18Å; L168-L175 HydrophobicContact CD1-CD2 4.39Å; L170-L175 HydrophobicContact CD1-CD2 4.33Å |
| 176 | T | 95.6 | Very high | 95.2 | Very high | 70 Ų | 70 | 55.2 Ų | 55.2 | 43% | 0.429 | 31% | 0.308 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.6 | 133.6 | 176.8 | 55.6 | 0 | 0 | 0 | 0 | 110.3 | L168 S169 V178 | L168-T176 CarbonylContact C-O 3.57Å; L168-T176 WeakPolarHBondContact CA-O 3.21Å; S169-T176 PolarHBondContact N-O 3.23Å; S169-T176 PolarHBondContact O-N 2.86Å; S169-T176 PolarHBondContact O-OG1 2.99Å; S169-T176 VanDerWaalsContact O-OG1 3.1Å; T176-V178 PolarHBondContact O-N 2.87Å |
| 177 | A | 95.1 | Very high | 95.2 | Very high | 81 Ų | 81 | 58.3 Ų | 58.3 | 67% | 0.669 | 32% | 0.322 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -74.5 | 123.4 | -179.7 | 0 | 0 | 0 | 0 | 0 | 111.4 | L168 | L168-A177 HydrophobicContact CD2-CB 3.97Å |
| 178 | V | 95.5 | Very high | 95.2 | Very high | 93 Ų | 93 | 58.2 Ų | 58.2 | 56% | 0.564 | 32% | 0.322 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -99.8 | -37.9 | 177.6 | -177.6 | 0 | 0 | 0 | 0 | 110.7 | V167 T176 | V167-V178 WeakPolarHBondContact O-CA 3.49Å; V167-V178 WeakPolarHBondContact O-CB 3.28Å; V167-V178 PolarHBondContact O-N 3.25Å; T176-V178 PolarHBondContact O-N 2.87Å |
| 179 | S | 96.4 | Very high | 95.3 | Very high | 27 Ų | 27 | 61.1 Ų | 61.1 | 19% | 0.189 | 33% | 0.333 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -153.3 | 147 | 179.5 | -175.1 | 0 | 0 | 0 | 0 | 110.8 | N166 V167 | N166-S179 CarbonylContact C-O 3.51Å; N166-S179 WeakPolarHBondContact CA-O 3.37Å; V167-S179 PolarHBondContact N-O 2.93Å; V167-S179 PolarHBondContact O-N 2.89Å; V167-S179 VanDerWaalsContact O-N 3.09Å |
| 180 | Q | 96.7 | Very high | 95.4 | Very high | 110 Ų | 110 | 59.8 Ų | 59.8 | 51% | 0.514 | 32% | 0.323 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.6 | 139.2 | 170.3 | 175.9 | 179.9 | 76.3 | 0 | 0 | 108.8 | V165 N166 | V165-Q180 WeakPolarHBondContact O-CA 3.47Å; N166-Q180 WeakPolarHBondContact OD1-CG 3.35Å; N166-Q180 PolarHBondContact OD1-NE2 2.91Å |
| 181 | W | 98.2 | Very high | 95.6 | Very high | 18 Ų | 18 | 58.6 Ų | 58.6 | 7% | 0.068 | 32% | 0.317 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -152.5 | 151.3 | 175.2 | 65.7 | 104.8 | 0 | 0 | 0 | 112.5 | C164 V165 V167 A183 V201 W213 L215 P219 | C164-W181 CarbonylContact C-O 3.55Å; C164-W181 WeakPolarHBondContact CA-O 3.27Å; C164-W181 WeakPolarHBondContact CB-O 3.08Å; V165-W181 HydrophobicContact CB-CD2 4.31Å; V165-W181 HydrophobicContact CB-CH2 4.2Å; V165-W181 HydrophobicContact CB-CZ2 3.82Å; V165-W181 HydrophobicContact CG1-CH2 3.56Å; V165-W181 HydrophobicContact CG1-CZ2 3.54Å; V165-W181 HydrophobicContact CG1-CZ3 4.16Å; V165-W181 PolarHBondContact N-O 3.25Å; V165-W181 PolarHBondContact O-N 2.94Å; V167-W181 HydrophobicContact CG2-CH2 3.91Å; V167-W181 HydrophobicContact CG2-CZ3 3.91Å; W181-A183 PolarHBondContact O-N 2.92Å; W181-A183 VanDerWaalsContact O-N 3.15Å; W181-V201 HydrophobicContact CH2-CG1 4.34Å; W181-V201 HydrophobicContact CZ2-CG1 4.35Å; W181-W213 AromaticContact CD1-CE3 3.96Å; W181-W213 AromaticContact CD1-CH2 3.57Å; W181-W213 AromaticContact CD1-CZ2 3.92Å; W181-W213 AromaticContact CD1-CZ3 3.58Å; W181-W213 AromaticContact CE2-CD2 3.87Å; W181-W213 HydrophobicContact CZ2-CB 4.13Å; W181-W213 AromaticContact CZ2-CD1 3.93Å; W181-W213 AromaticContact CZ2-CD2 3.95Å; W181-W213 HydrophobicContact CZ2-CD2 3.95Å; W181-W213 HydrophobicContact CZ2-CE3 4.49Å; W181-W213 AromaticContact CZ2-CG 3.75Å; W181-W213 HydrophobicContact CZ2-CG 3.75Å; W181-W213 AromaticContact NE1-CD2 3.3Å; W181-W213 VanDerWaalsContact NE1-CD2 3.3Å; W181-W213 AromaticContact NE1-CE2 3.26Å; W181-W213 VanDerWaalsContact NE1-CE2 3.26Å; W181-W213 AromaticContact NE1-CE3 3.36Å; W181-W213 AromaticContact NE1-CH2 3.4Å; W181-W213 AromaticContact NE1-CZ2 3.33Å; W181-W213 VanDerWaalsContact NE1-CZ2 3.33Å; W181-W213 AromaticContact NE1-CZ3 3.4Å; W181-W213 AromaticContact NE1-NE1 3.91Å; W181-L215 HydrophobicContact CH2-CD2 3.96Å; W181-L215 HydrophobicContact CZ3-CD2 4.19Å; W181-P219 HydrophobicContact CB-CB 3.76Å; W181-P219 HydrophobicContact CB-CG 4.02Å; W181-P219 HydrophobicContact CD2-CB 3.36Å; W181-P219 HydrophobicContact CD2-CG 4.23Å; W181-P219 HydrophobicContact CE3-CB 3.53Å; W181-P219 HydrophobicContact CE3-CG 4.06Å; W181-P219 HydrophobicContact CG-CB 3.49Å; W181-P219 VanDerWaalsContact CG-CB 3.49Å; W181-P219 HydrophobicContact CG-CG 4.26Å; W181-P219 HydrophobicContact CZ3-CB 4.23Å |
| 182 | K | 97.9 | Very high | 96 | Very high | 111 Ų | 111 | 57.2 Ų | 57.2 | 48% | 0.483 | 30% | 0.302 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.7 | 103.6 | 168.7 | 179.5 | 63.1 | 166 | 158 | 0 | 108 | A162 H184 D185 | A162-K182 WeakPolarHBondContact O-CD 3.42Å; A162-K182 WeakPolarHBondContact O-CE 3.42Å; A162-K182 PolarHBondContact O-NZ 2.94Å; K182-H184 VanDerWaalsContact CD-O 3.28Å; K182-H184 WeakPolarHBondContact CD-O 3.45Å; K182-H184 WeakPolarHBondContact CE-O 3.49Å; K182-H184 PolarHBondContact NZ-O 3.14Å; K182-D185 PolarHBondContact NZ-O 2.95Å |
| 183 | A | 98.5 | Very high | 96.6 | Very high | 5 Ų | 5 | 49.2 Ų | 49.2 | 4% | 0.041 | 27% | 0.265 | C | S | . | . | trans | -92.6 | -40.6 | -172.1 | 0 | 0 | 0 | 0 | 0 | 112 | G163 V165 W181 K211 W213 | G163-A183 WeakPolarHBondContact O-CA 3.37Å; G163-A183 PolarHBondContact O-N 2.66Å; V165-A183 HydrophobicContact CB-CB 3.96Å; V165-A183 HydrophobicContact CG2-CB 3.5Å; W181-A183 PolarHBondContact O-N 2.92Å; W181-A183 VanDerWaalsContact O-N 3.15Å; A183-K211 WeakPolarHBondContact O-CD 3.34Å; A183-K211 WeakPolarHBondContact O-CE 3.28Å; A183-K211 PolarHBondContact O-NZ 2.87Å; A183-W213 HydrophobicContact CB-CH2 4.35Å; A183-W213 HydrophobicContact CB-CZ2 3.72Å | ||
| 184 | H | 98.6 | Very high | 97.3 | Very high | 0 Ų | 0 | 45.3 Ų | 45.3 | 0% | 0 | 24% | 0.244 | C | C | . | . | trans | -125.8 | 154.2 | -178 | -67 | -94.4 | 0 | 0 | 0 | 111.1 | G163 K182 F186 A188 S203 D207 K209 | G163-H184 PolarHBondContact O-N 2.73Å; K182-H184 VanDerWaalsContact CD-O 3.28Å; K182-H184 WeakPolarHBondContact CD-O 3.45Å; K182-H184 WeakPolarHBondContact CE-O 3.49Å; K182-H184 PolarHBondContact NZ-O 3.14Å; H184-F186 CarbonylContact C-O 3.58Å; H184-F186 WeakPolarHBondContact CB-O 3.22Å; H184-A188 HydrophobicContact CB-CB 4.38Å; H184-S203 VanDerWaalsContact NE2-CB 3.32Å; H184-S203 WeakPolarHBondContact NE2-CB 3.38Å; H184-S203 PolarHBondContact NE2-O 3.36Å; H184-S203 PolarHBondContact NE2-OG 3.37Å; H184-D207 WeakPolarHBondContact CA-OD2 3.28Å; H184-D207 IonicContact CE1-OD1 3.82Å; H184-D207 IonicContact CG-OD1 2.81Å; H184-D207 IonicContact CG-OD2 3.41Å; H184-D207 IonicContact ND1-OD1 3.5Å; H184-D207 PolarHBondContact ND1-OD1 2.83Å; H184-D207 IonicContact ND1-OD2 3.51Å; H184-K209 PolarHBondContact CE1-O 2.8Å | ||
| 185 | D | 98.1 | Very high | 97.5 | Very high | 105 Ų | 105 | 43.8 Ų | 43.8 | 56% | 0.561 | 23% | 0.23 | S | C | * | . | S | Bend | trans | -72.3 | -39.2 | -177.9 | -61.2 | -41.9 | 0 | 0 | 0 | 111.2 | K182 D207 K209 | K182-D185 PolarHBondContact NZ-O 2.95Å; D185-D207 HydrophobicContact CB-CB 4.09Å; D185-D207 PolarHBondContact N-OD2 3.03Å; D185-K209 IonicContact OD2-NZ 4Å; D185-K209 PolarHBondContact OD2-NZ 2.88Å |
| 186 | F | 98 | Very high | 97.4 | Very high | 123 Ų | 123 | 46.7 Ų | 46.7 | 54% | 0.539 | 24% | 0.241 | S | C | . | . | S | Bend | trans | -104.5 | -169.1 | 169.8 | -59.5 | -73.8 | 0 | 0 | 0 | 111.1 | G163 H184 A188 D206 D207 | G163-F186 WeakPolarHBondContact CA-O 3.43Å; H184-F186 CarbonylContact C-O 3.58Å; H184-F186 WeakPolarHBondContact CB-O 3.22Å; F186-A188 PolarHBondContact O-N 3.07Å; F186-D206 HydrophobicContact CB-CB 3.91Å; F186-D207 HydrophobicContact CD2-CB 3.89Å |
| 187 | E | 98.6 | Very high | 97.4 | Very high | 70 Ų | 70 | 45 Ų | 45 | 33% | 0.327 | 23% | 0.229 | S | C | . | . | trans | -37.3 | 127.4 | 172 | -80.3 | 65.8 | -166.5 | 0 | 0 | 112.6 | L140 W189 G205 D206 | L140-E187 HydrophobicContact CD1-CB 3.97Å; L140-E187 HydrophobicContact CD1-CG 4.18Å; E187-W189 HydrophobicContact CB-CD2 4.49Å; E187-W189 HydrophobicContact CB-CZ2 4.29Å; E187-W189 HydrophobicContact CG-CZ2 4.35Å; E187-W189 PolarHBondContact O-N 3.12Å; E187-G205 CarbonylContact O-C 3.55Å; E187-G205 WeakPolarHBondContact O-CA 3.4Å; E187-D206 HydrophobicContact CB-CB 4.37Å; E187-D206 PolarHBondContact O-N 3.02Å | ||
| 188 | A | 98.6 | Very high | 97.4 | Very high | 0 Ų | 0 | 42.8 Ų | 42.8 | 0% | 0 | 21% | 0.207 | C | C | . | . | trans | -93.7 | 84.2 | 172.5 | 0 | 0 | 0 | 0 | 0 | 108.9 | L140 S159 D160 H184 F186 I190 G204 | L140-A188 WeakPolarHBondContact CD1-O 3.3Å; S159-A188 WeakPolarHBondContact CB-O 3.48Å; S159-A188 PolarHBondContact OG-O 3.33Å; D160-A188 PolarHBondContact O-N 3.05Å; H184-A188 HydrophobicContact CB-CB 4.38Å; F186-A188 PolarHBondContact O-N 3.07Å; A188-I190 PolarHBondContact O-N 3.2Å; A188-I190 VanDerWaalsContact O-N 3.15Å; A188-G204 CarbonylContact C-O 3.55Å; A188-G204 VanDerWaalsContact C-O 3.31Å; A188-G204 WeakPolarHBondContact CA-O 3.38Å | ||
| 189 | W | 98.6 | Very high | 97.4 | Very high | 63 Ų | 63 | 41 Ų | 41 | 24% | 0.239 | 19% | 0.192 | C | C | . | . | trans | -54.1 | -33.5 | -175.5 | -71.5 | 122.8 | 0 | 0 | 0 | 114.8 | L140 E187 G204 D206 W277 | L140-W189 HydrophobicContact CD1-CE3 3.99Å; L140-W189 HydrophobicContact CD1-CZ3 4.31Å; L140-W189 HydrophobicContact CD2-CE3 4.37Å; L140-W189 HydrophobicContact CD2-CZ3 4.07Å; E187-W189 HydrophobicContact CB-CD2 4.49Å; E187-W189 HydrophobicContact CB-CZ2 4.29Å; E187-W189 HydrophobicContact CG-CZ2 4.35Å; E187-W189 PolarHBondContact O-N 3.12Å; W189-G204 PolarHBondContact N-O 3.01Å; W189-G204 VanDerWaalsContact N-O 3.07Å; W189-D206 PolarHBondContact NE1-OD1 2.84Å; W189-W277 HydrophobicContact CD2-CH2 4.4Å; W189-W277 HydrophobicContact CE3-CH2 4.15Å; W189-W277 HydrophobicContact CE3-CZ2 4.4Å; W189-W277 HydrophobicContact CH2-CH2 4.35Å; W189-W277 HydrophobicContact CZ3-CH2 4.13Å; W189-W277 HydrophobicContact CZ3-CZ2 4.38Å | ||
| 190 | I | 98.8 | Very high | 97.4 | Very high | 6 Ų | 6 | 40.9 Ų | 40.9 | 3% | 0.031 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.3 | 143.3 | -174.9 | -172.7 | 60.1 | 0 | 0 | 0 | 112.5 | S141 A188 S203 G204 V233 V236 | S141-I190 WeakPolarHBondContact OG-CA 3.14Å; A188-I190 PolarHBondContact O-N 3.2Å; A188-I190 VanDerWaalsContact O-N 3.15Å; I190-S203 CarbonylContact O-C 3.52Å; I190-S203 VanDerWaalsContact O-CA 3.27Å; I190-S203 WeakPolarHBondContact O-CA 3.43Å; I190-G204 PolarHBondContact N-O 3.35Å; I190-G204 VanDerWaalsContact N-O 3.16Å; I190-G204 PolarHBondContact O-N 3.07Å; I190-V233 VanDerWaalsContact CG2-O 3.31Å; I190-V233 WeakPolarHBondContact CG2-O 3.43Å; I190-V236 HydrophobicContact CG1-CB 4.2Å; I190-V236 HydrophobicContact CG1-CG2 4.43Å; I190-V236 HydrophobicContact CG2-CB 4.33Å; I190-V236 HydrophobicContact CG2-CG2 3.66Å |
| 191 | S | 98.8 | Very high | 97.5 | Very high | 0 Ų | 0 | 35.6 Ų | 35.6 | 0% | 0 | 17% | 0.165 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.5 | 142.5 | 165.8 | 60.1 | 0 | 0 | 0 | 0 | 110 | S141 S158 S159 Y202 | S141-S191 PolarHBondContact OG-N 3.44Å; S141-S191 PolarHBondContact OG-OG 3.33Å; S158-S191 VanDerWaalsContact CA-OG 3.28Å; S158-S191 WeakPolarHBondContact CA-OG 3.39Å; S159-S191 PolarHBondContact N-OG 2.8Å; S191-Y202 WeakPolarHBondContact CA-O 3.22Å |
| 192 | A | 98.6 | Very high | 97.5 | Very high | 4 Ų | 4 | 35 Ų | 35 | 3% | 0.033 | 16% | 0.163 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -147.6 | 150.6 | -177.1 | 0 | 0 | 0 | 0 | 0 | 111.1 | D143 V201 Y202 V236 | D143-A192 WeakPolarHBondContact OD2-CA 3.37Å; A192-V201 CarbonylContact O-C 3.56Å; A192-V201 WeakPolarHBondContact O-CA 3.38Å; A192-Y202 PolarHBondContact N-O 2.81Å; A192-Y202 PolarHBondContact O-N 3.09Å; A192-V236 HydrophobicContact CB-CB 4.4Å; A192-V236 HydrophobicContact CB-CG1 4.25Å |
| 193 | F | 97.9 | Very high | 97.5 | Very high | 1 Ų | 1 | 29.8 Ų | 29.8 | 0% | 0.004 | 14% | 0.14 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.1 | 152.9 | 166.8 | -79.1 | -75.1 | 0 | 0 | 0 | 111 | D143 W144 S145 R155 V157 V167 Y195 T198 V201 L215 S238 | D143-F193 PolarHBondContact OD2-N 2.8Å; W144-F193 VanDerWaalsContact C-CD2 3.46Å; S145-F193 VanDerWaalsContact N-CD2 3.33Å; R155-F193 HydrophobicContact CB-CE2 4.4Å; R155-F193 HydrophobicContact CB-CZ 3.96Å; V157-F193 HydrophobicContact CB-CD2 4.13Å; V157-F193 HydrophobicContact CB-CE2 3.72Å; V157-F193 HydrophobicContact CB-CZ 4.02Å; V157-F193 HydrophobicContact CG1-CD2 3.68Å; V157-F193 HydrophobicContact CG1-CE2 3.79Å; V157-F193 HydrophobicContact CG1-CG 4.34Å; V157-F193 HydrophobicContact CG1-CZ 4.48Å; V167-F193 HydrophobicContact CG1-CZ 4.39Å; F193-Y195 PolarHBondContact O-N 3.31Å; F193-T198 WeakPolarHBondContact CE1-O 3.13Å; F193-V201 HydrophobicContact CD1-CG2 3.76Å; F193-V201 HydrophobicContact CE1-CG2 3.74Å; F193-L215 HydrophobicContact CE1-CD1 4.34Å; F193-S238 PolarHBondContact O-OG 2.9Å |
| 194 | S | 96.7 | Very high | 97.6 | Very high | 0 Ų | 0 | 29.5 Ų | 29.5 | 0% | 0 | 14% | 0.138 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -67.8 | 121.9 | 154.4 | -175.9 | 0 | 0 | 0 | 0 | 108.5 | W196 D197 L200 S238 E260 | S194-W196 PolarHBondContact O-N 3.47Å; S194-W196 VanDerWaalsContact O-N 3.08Å; S194-W196 PolarHBondContact OG-N 2.84Å; S194-D197 WeakPolarHBondContact CB-O 3.24Å; S194-D197 CarbonylContact O-C 3.52Å; S194-D197 PolarHBondContact O-N 3.48Å; S194-L200 PolarHBondContact N-O 2.89Å; S194-S238 WeakPolarHBondContact CA-OG 3.36Å; S194-E260 PolarHBondContact OG-OE1 3.29Å |
| 195 | Y | 95.6 | Very high | 97.5 | Very high | 22 Ų | 22 | 29.5 Ų | 29.5 | 9% | 0.086 | 14% | 0.138 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -64.4 | -13 | 177.3 | -76.8 | 15.8 | 0 | 0 | 0 | 112.3 | G147 R148 F193 H237 S238 P240 | G147-Y195 WeakPolarHBondContact O-CD2 3.28Å; R148-Y195 WeakPolarHBondContact CD-O 3.37Å; R148-Y195 VanDerWaalsContact CG-O 3.24Å; R148-Y195 WeakPolarHBondContact CG-O 3.1Å; F193-Y195 PolarHBondContact O-N 3.31Å; Y195-H237 AromaticContact CE2-CE1 3.74Å; Y195-H237 AromaticContact CZ-CE1 3.87Å; Y195-H237 PolarHBondContact OH-CE1 2.62Å; Y195-S238 VanDerWaalsContact CG-CB 3.5Å; Y195-S238 PolarHBondContact N-OG 3.48Å; Y195-P240 HydrophobicContact CD2-CB 4.15Å |
| 196 | W | 95.5 | Very high | 97.6 | Very high | 72 Ų | 72 | 27.9 Ų | 27.9 | 27% | 0.273 | 13% | 0.129 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -107.7 | -17.8 | -178.2 | -60.5 | 81 | 0 | 0 | 0 | 113.9 | R148 S194 S239 P240 H241 E243 | R148-W196 VanDerWaalsContact NH2-CH2 3.33Å; S194-W196 PolarHBondContact O-N 3.47Å; S194-W196 VanDerWaalsContact O-N 3.08Å; S194-W196 PolarHBondContact OG-N 2.84Å; W196-S239 PolarHBondContact NE1-O 3.15Å; W196-P240 WeakPolarHBondContact CZ2-O 3.39Å; W196-H241 WeakPolarHBondContact CZ2-O 3.31Å; W196-E243 HydrophobicContact CB-CG 3.87Å; W196-E243 HydrophobicContact CD2-CB 3.74Å; W196-E243 HydrophobicContact CD2-CG 3.84Å; W196-E243 HydrophobicContact CE3-CB 3.73Å; W196-E243 HydrophobicContact CE3-CG 3.86Å; W196-E243 HydrophobicContact CG-CB 4.14Å; W196-E243 HydrophobicContact CG-CG 3.82Å; W196-E243 HydrophobicContact CZ3-CB 4.14Å |
| 197 | D | 94.9 | Very high | 97.6 | Very high | 34 Ų | 34 | 22.6 Ų | 22.6 | 18% | 0.182 | 11% | 0.107 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -146.1 | 103.7 | 171.9 | -176.9 | -1.4 | 0 | 0 | 0 | 110.2 | S194 Q199 L200 R216 | S194-D197 WeakPolarHBondContact CB-O 3.24Å; S194-D197 CarbonylContact O-C 3.52Å; S194-D197 PolarHBondContact O-N 3.48Å; D197-Q199 PolarHBondContact O-N 2.88Å; D197-Q199 WeakPolarHBondContact OD1-CB 3.07Å; D197-Q199 PolarHBondContact OD1-N 2.9Å; D197-Q199 VanDerWaalsContact OD1-N 3.08Å; D197-L200 HydrophobicContact CB-CD1 4.06Å; D197-L200 HydrophobicContact CB-CG 4.03Å; D197-L200 WeakPolarHBondContact O-CB 3.22Å; D197-L200 PolarHBondContact O-N 2.86Å; D197-R216 IonicContact OD1-CZ 3.74Å; D197-R216 IonicContact OD1-NH1 2.7Å; D197-R216 IonicContact OD1-NH2 2.74Å; D197-R216 PolarHBondContact OD1-NH2 2.99Å; D197-R216 IonicContact OD2-CZ 3.44Å; D197-R216 VanDerWaalsContact OD2-CZ 3.26Å; D197-R216 IonicContact OD2-NH1 2.74Å; D197-R216 PolarHBondContact OD2-NH1 2.82Å; D197-R216 IonicContact OD2-NH2 3.15Å; D197-R216 PolarHBondContact OD2-NH2 2.7Å |
| 198 | T | 94.8 | Very high | 97.6 | Very high | 35 Ų | 35 | 21.3 Ų | 21.3 | 22% | 0.215 | 11% | 0.105 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -73.6 | 7.5 | -176.3 | 67.5 | 0 | 0 | 0 | 0 | 114.2 | S145 R155 F193 | S145-T198 WeakPolarHBondContact O-CG2 3.47Å; R155-T198 PolarHBondContact NH1-O 2.86Å; R155-T198 PolarHBondContact NH2-O 2.97Å; R155-T198 VanDerWaalsContact NH2-O 3.11Å; R155-T198 PolarHBondContact NH2-OG1 3.13Å; F193-T198 WeakPolarHBondContact CE1-O 3.13Å |
| 199 | Q | 95.2 | Very high | 97.6 | Very high | 55 Ų | 55 | 22.6 Ų | 22.6 | 26% | 0.257 | 11% | 0.11 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.4 | -14.1 | 163.8 | -54.8 | -54.5 | -47.3 | 0 | 0 | 112.6 | R155 D197 D214 L215 R216 | R155-Q199 VanDerWaalsContact NH2-NE2 3.15Å; D197-Q199 PolarHBondContact O-N 2.88Å; D197-Q199 WeakPolarHBondContact OD1-CB 3.07Å; D197-Q199 PolarHBondContact OD1-N 2.9Å; D197-Q199 VanDerWaalsContact OD1-N 3.08Å; Q199-D214 WeakPolarHBondContact O-CA 3.45Å; Q199-L215 WeakPolarHBondContact O-CG 3.21Å; Q199-L215 PolarHBondContact O-N 3.01Å; Q199-R216 HydrophobicContact CB-CG 4.07Å; Q199-R216 VanDerWaalsContact CB-CZ 3.46Å; Q199-R216 HydrophobicContact CG-CG 4.12Å |
| 200 | L | 96.8 | Very high | 97.6 | Very high | 24 Ų | 24 | 19.8 Ų | 19.8 | 13% | 0.126 | 10% | 0.1 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.8 | 129.9 | 173.4 | -57.8 | -178.1 | 0 | 0 | 0 | 110.3 | S194 D197 W213 D214 | S194-L200 PolarHBondContact N-O 2.89Å; D197-L200 HydrophobicContact CB-CD1 4.06Å; D197-L200 HydrophobicContact CB-CG 4.03Å; D197-L200 WeakPolarHBondContact O-CB 3.22Å; D197-L200 PolarHBondContact O-N 2.86Å; L200-W213 WeakPolarHBondContact CA-O 3.34Å; L200-D214 HydrophobicContact CD2-CB 3.75Å |
| 201 | V | 98.3 | Very high | 97.6 | Very high | 0 Ų | 0 | 20.2 Ų | 20.2 | 0% | 0 | 10% | 0.102 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.8 | 141.1 | 176 | 167.6 | 0 | 0 | 0 | 0 | 108.9 | V157 V165 V167 W181 A192 F193 G212 W213 L215 | V157-V201 HydrophobicContact CG2-CG1 3.8Å; V157-V201 HydrophobicContact CG2-CG2 4.38Å; V165-V201 HydrophobicContact CG1-CG1 4.28Å; V167-V201 HydrophobicContact CG2-CG2 4.29Å; W181-V201 HydrophobicContact CH2-CG1 4.34Å; W181-V201 HydrophobicContact CZ2-CG1 4.35Å; A192-V201 CarbonylContact O-C 3.56Å; A192-V201 WeakPolarHBondContact O-CA 3.38Å; F193-V201 HydrophobicContact CD1-CG2 3.76Å; F193-V201 HydrophobicContact CE1-CG2 3.74Å; V201-G212 CarbonylContact O-C 3.6Å; V201-G212 WeakPolarHBondContact O-CA 3.42Å; V201-W213 HydrophobicContact CB-CB 4.42Å; V201-W213 PolarHBondContact N-O 2.81Å; V201-W213 PolarHBondContact O-N 3.12Å; V201-L215 HydrophobicContact CG2-CD1 4.03Å; V201-L215 HydrophobicContact CG2-CD2 4.43Å; V201-L215 HydrophobicContact CG2-CG 4.28Å |
| 202 | Y | 98.7 | Very high | 97.6 | Very high | 6 Ų | 6 | 20.2 Ų | 20.2 | 2% | 0.024 | 10% | 0.102 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.9 | 150 | 171.8 | -51.9 | -56 | 0 | 0 | 0 | 110.2 | S191 A192 K211 F224 V236 L246 E260 | S191-Y202 WeakPolarHBondContact CA-O 3.22Å; A192-Y202 PolarHBondContact N-O 2.81Å; A192-Y202 PolarHBondContact O-N 3.09Å; Y202-K211 CarbonylContact C-O 3.52Å; Y202-K211 WeakPolarHBondContact CA-O 3.32Å; Y202-F224 HydrophobicContact CD1-CE1 4.12Å; Y202-F224 HydrophobicContact CD1-CZ 4.08Å; Y202-F224 HydrophobicContact CE1-CE1 4.06Å; Y202-F224 HydrophobicContact CE1-CZ 4.36Å; Y202-V236 HydrophobicContact CD2-CG1 4.25Å; Y202-V236 HydrophobicContact CG-CG1 4.31Å; Y202-L246 HydrophobicContact CD1-CD2 4.29Å; Y202-L246 HydrophobicContact CD2-CD1 3.67Å; Y202-L246 HydrophobicContact CD2-CD2 4.05Å; Y202-L246 HydrophobicContact CE1-CD2 4.45Å; Y202-L246 HydrophobicContact CE2-CD1 3.7Å; Y202-L246 HydrophobicContact CE2-CD2 4.19Å; Y202-L246 HydrophobicContact CG-CD1 4.48Å; Y202-L246 HydrophobicContact CG-CD2 4.11Å; Y202-E260 WeakPolarHBondContact OH-CG 3.47Å; Y202-E260 PolarHBondContact OH-OE1 2.83Å; Y202-E260 PolarHBondContact OH-OE2 2.92Å |
| 203 | S | 98.9 | Very high | 97.6 | Very high | 0 Ų | 0 | 20.6 Ų | 20.6 | 0% | 0 | 10% | 0.102 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.9 | 143 | 171.8 | 65.2 | 0 | 0 | 0 | 0 | 112.3 | H184 I190 K211 W213 | H184-S203 VanDerWaalsContact NE2-CB 3.32Å; H184-S203 WeakPolarHBondContact NE2-CB 3.38Å; H184-S203 PolarHBondContact NE2-O 3.36Å; H184-S203 PolarHBondContact NE2-OG 3.37Å; I190-S203 CarbonylContact O-C 3.52Å; I190-S203 VanDerWaalsContact O-CA 3.27Å; I190-S203 WeakPolarHBondContact O-CA 3.43Å; S203-K211 PolarHBondContact N-O 2.82Å; S203-K211 PolarHBondContact O-N 3.01Å; S203-W213 PolarHBondContact OG-NE1 2.86Å |
| 204 | G | 98.8 | Very high | 97.5 | Very high | 0 Ų | 0 | 21.7 Ų | 21.7 | 0% | 0 | 11% | 0.108 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124 | 151.7 | 173.2 | 0 | 0 | 0 | 0 | 0 | 110.1 | A188 W189 I190 V233 | A188-G204 CarbonylContact C-O 3.55Å; A188-G204 VanDerWaalsContact C-O 3.31Å; A188-G204 WeakPolarHBondContact CA-O 3.38Å; W189-G204 PolarHBondContact N-O 3.01Å; W189-G204 VanDerWaalsContact N-O 3.07Å; I190-G204 PolarHBondContact N-O 3.35Å; I190-G204 VanDerWaalsContact N-O 3.16Å; I190-G204 PolarHBondContact O-N 3.07Å; G204-V233 CarbonylContact C-O 3.51Å |
| 205 | G | 98.4 | Very high | 97.5 | Very high | 0 Ų | 0 | 23.3 Ų | 23.3 | 0% | 0 | 12% | 0.116 | C | C | . | . | trans | -161.9 | 176.2 | -178.9 | 0 | 0 | 0 | 0 | 0 | 113 | E187 D207 C208 G232 V233 | E187-G205 CarbonylContact O-C 3.55Å; E187-G205 WeakPolarHBondContact O-CA 3.4Å; G205-D207 PolarHBondContact O-N 2.98Å; G205-C208 PolarHBondContact O-N 2.7Å; G205-G232 WeakPolarHBondContact O-CA 3.43Å; G205-V233 PolarHBondContact O-N 2.94Å; G205-V233 VanDerWaalsContact O-N 3.1Å | ||
| 206 | D | 98.6 | Very high | 97.5 | Very high | 71 Ų | 71 | 29 Ų | 29 | 38% | 0.38 | 14% | 0.138 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -70.3 | -12.2 | -174.7 | -138.8 | 60 | 0 | 0 | 0 | 113.3 | F186 E187 W189 C208 | F186-D206 HydrophobicContact CB-CB 3.91Å; E187-D206 HydrophobicContact CB-CB 4.37Å; E187-D206 PolarHBondContact O-N 3.02Å; W189-D206 PolarHBondContact NE1-OD1 2.84Å; D206-C208 PolarHBondContact O-N 3.34Å |
| 207 | D | 98.6 | Very high | 97.4 | Very high | 12 Ų | 12 | 32.3 Ų | 32.3 | 6% | 0.064 | 16% | 0.158 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -74.8 | 19.2 | 174.1 | 79.4 | -11 | 0 | 0 | 0 | 114.6 | H184 D185 F186 G205 K209 K211 | H184-D207 WeakPolarHBondContact CA-OD2 3.28Å; H184-D207 IonicContact CE1-OD1 3.82Å; H184-D207 IonicContact CG-OD1 2.81Å; H184-D207 IonicContact CG-OD2 3.41Å; H184-D207 IonicContact ND1-OD1 3.5Å; H184-D207 PolarHBondContact ND1-OD1 2.83Å; H184-D207 IonicContact ND1-OD2 3.51Å; D185-D207 HydrophobicContact CB-CB 4.09Å; D185-D207 PolarHBondContact N-OD2 3.03Å; F186-D207 HydrophobicContact CD2-CB 3.89Å; G205-D207 PolarHBondContact O-N 2.98Å; D207-K209 VanDerWaalsContact CB-NZ 3.32Å; D207-K209 WeakPolarHBondContact O-CE 3.32Å; D207-K209 WeakPolarHBondContact O-CG 3.34Å; D207-K209 PolarHBondContact O-N 3.04Å; D207-K209 VanDerWaalsContact O-N 3.16Å; D207-K209 PolarHBondContact O-NZ 2.84Å; D207-K209 WeakPolarHBondContact OD1-CB 3.45Å; D207-K209 PolarHBondContact OD1-N 3.2Å; D207-K209 IonicContact OD1-NZ 3.26Å; D207-K209 WeakPolarHBondContact OD2-CD 3.26Å; D207-K209 IonicContact OD2-NZ 2.6Å; D207-K209 PolarHBondContact OD2-NZ 2.68Å; D207-K211 IonicContact OD2-NZ 3.7Å; D207-K211 PolarHBondContact OD2-NZ 3.06Å |
| 208 | C | 98.5 | Very high | 97.2 | Very high | 42 Ų | 42 | 32 Ų | 32 | 28% | 0.284 | 16% | 0.163 | S | C | . | . | S | Bend | trans | 51.4 | 25.5 | -177 | -42.5 | 0 | 0 | 0 | 0 | 115.1 | G205 D206 S230 M231 | G205-C208 PolarHBondContact O-N 2.7Å; D206-C208 PolarHBondContact O-N 3.34Å; C208-S230 PolarHBondContact SG-O 3.4Å; C208-M231 WeakPolarHBondContact CA-O 3.36Å; C208-M231 VanDerWaalsContact SG-CA 3.58Å |
| 209 | K | 98.6 | Very high | 97 | Very high | 28 Ų | 28 | 32.2 Ų | 32.2 | 12% | 0.122 | 17% | 0.165 | C | C | . | . | trans | -112.8 | 139.7 | -178.5 | -64.4 | 154.7 | -142.4 | 138.6 | 0 | 111.2 | H184 D185 D207 K211 T225 S226 K227 | H184-K209 PolarHBondContact CE1-O 2.8Å; D185-K209 IonicContact OD2-NZ 4Å; D185-K209 PolarHBondContact OD2-NZ 2.88Å; D207-K209 VanDerWaalsContact CB-NZ 3.32Å; D207-K209 WeakPolarHBondContact O-CE 3.32Å; D207-K209 WeakPolarHBondContact O-CG 3.34Å; D207-K209 PolarHBondContact O-N 3.04Å; D207-K209 VanDerWaalsContact O-N 3.16Å; D207-K209 PolarHBondContact O-NZ 2.84Å; D207-K209 WeakPolarHBondContact OD1-CB 3.45Å; D207-K209 PolarHBondContact OD1-N 3.2Å; D207-K209 IonicContact OD1-NZ 3.26Å; D207-K209 WeakPolarHBondContact OD2-CD 3.26Å; D207-K209 IonicContact OD2-NZ 2.6Å; D207-K209 PolarHBondContact OD2-NZ 2.68Å; K209-K211 HydrophobicContact CB-CG 4.28Å; K209-T225 HydrophobicContact CB-CG2 4.04Å; K209-T225 HydrophobicContact CD-CG2 4.17Å; K209-T225 HydrophobicContact CG-CG2 3.9Å; K209-S226 WeakPolarHBondContact CA-O 3.48Å; K209-K227 HydrophobicContact CG-CG 4.09Å | ||
| 210 | L | 98.8 | Very high | 96.8 | Very high | 3 Ų | 3 | 34.9 Ų | 34.9 | 2% | 0.016 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.6 | 128.1 | 157.4 | 175.2 | 74.4 | 0 | 0 | 0 | 107.9 | F224 T225 S226 V233 V236 T248 W258 M263 | L210-F224 HydrophobicContact CD2-CE2 4.11Å; L210-F224 HydrophobicContact CD2-CZ 4.49Å; L210-F224 HydrophobicContact CG-CE2 4.02Å; L210-F224 HydrophobicContact CG-CZ 4.42Å; L210-T225 WeakPolarHBondContact O-CA 3.47Å; L210-S226 PolarHBondContact N-O 2.86Å; L210-S226 PolarHBondContact O-N 2.9Å; L210-V233 HydrophobicContact CD1-CG1 4.35Å; L210-V236 HydrophobicContact CD1-CG2 3.63Å; L210-T248 HydrophobicContact CD1-CG2 3.92Å; L210-T248 HydrophobicContact CD2-CG2 3.74Å; L210-T248 HydrophobicContact CG-CG2 4.47Å; L210-W258 HydrophobicContact CD2-CZ2 4.31Å; L210-M263 HydrophobicContact CD2-CE 3.55Å |
| 211 | K | 98.8 | Very high | 96.6 | Very high | 16 Ų | 16 | 37.1 Ų | 37.1 | 7% | 0.07 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.2 | 147.4 | -177.9 | -67.7 | 171.5 | -179.4 | 153.7 | 0 | 110.6 | A183 Y202 S203 D207 K209 W213 P222 T225 | A183-K211 WeakPolarHBondContact O-CD 3.34Å; A183-K211 WeakPolarHBondContact O-CE 3.28Å; A183-K211 PolarHBondContact O-NZ 2.87Å; Y202-K211 CarbonylContact C-O 3.52Å; Y202-K211 WeakPolarHBondContact CA-O 3.32Å; S203-K211 PolarHBondContact N-O 2.82Å; S203-K211 PolarHBondContact O-N 3.01Å; D207-K211 IonicContact OD2-NZ 3.7Å; D207-K211 PolarHBondContact OD2-NZ 3.06Å; K209-K211 HydrophobicContact CB-CG 4.28Å; K211-W213 HydrophobicContact CB-CZ2 3.94Å; K211-W213 HydrophobicContact CD-CH2 4.43Å; K211-W213 HydrophobicContact CD-CZ2 3.8Å; K211-W213 HydrophobicContact CG-CZ2 4.44Å; K211-P222 HydrophobicContact CB-CB 4.24Å; K211-T225 HydrophobicContact CG-CG2 4.02Å |
| 212 | G | 98.4 | Very high | 96.6 | Very high | 0 Ų | 0 | 39.2 Ų | 39.2 | 0% | 0 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.2 | 152.6 | 169.9 | 0 | 0 | 0 | 0 | 0 | 111.3 | V201 P222 T223 F224 | V201-G212 CarbonylContact O-C 3.6Å; V201-G212 WeakPolarHBondContact O-CA 3.42Å; G212-P222 CarbonylContact O-C 3.31Å; G212-P222 WeakPolarHBondContact O-CA 3.21Å; G212-P222 WeakPolarHBondContact O-CB 3.42Å; G212-T223 VanDerWaalsContact C-OG1 3.29Å; G212-T223 PolarHBondContact O-N 3.09Å; G212-T223 PolarHBondContact O-OG1 2.81Å; G212-F224 VanDerWaalsContact CA-CE1 3.42Å; G212-F224 PolarHBondContact N-O 2.93Å |
| 213 | W | 98.4 | Very high | 96.5 | Very high | 11 Ų | 11 | 42.6 Ų | 42.6 | 4% | 0.042 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.1 | 138.5 | -173.3 | -46.8 | 88.5 | 0 | 0 | 0 | 108.9 | W181 A183 L200 V201 S203 K211 P222 | W181-W213 AromaticContact CD1-CE3 3.96Å; W181-W213 AromaticContact CD1-CH2 3.57Å; W181-W213 AromaticContact CD1-CZ2 3.92Å; W181-W213 AromaticContact CD1-CZ3 3.58Å; W181-W213 AromaticContact CE2-CD2 3.87Å; W181-W213 HydrophobicContact CZ2-CB 4.13Å; W181-W213 AromaticContact CZ2-CD1 3.93Å; W181-W213 AromaticContact CZ2-CD2 3.95Å; W181-W213 HydrophobicContact CZ2-CD2 3.95Å; W181-W213 HydrophobicContact CZ2-CE3 4.49Å; W181-W213 AromaticContact CZ2-CG 3.75Å; W181-W213 HydrophobicContact CZ2-CG 3.75Å; W181-W213 AromaticContact NE1-CD2 3.3Å; W181-W213 VanDerWaalsContact NE1-CD2 3.3Å; W181-W213 AromaticContact NE1-CE2 3.26Å; W181-W213 VanDerWaalsContact NE1-CE2 3.26Å; W181-W213 AromaticContact NE1-CE3 3.36Å; W181-W213 AromaticContact NE1-CH2 3.4Å; W181-W213 AromaticContact NE1-CZ2 3.33Å; W181-W213 VanDerWaalsContact NE1-CZ2 3.33Å; W181-W213 AromaticContact NE1-CZ3 3.4Å; W181-W213 AromaticContact NE1-NE1 3.91Å; A183-W213 HydrophobicContact CB-CH2 4.35Å; A183-W213 HydrophobicContact CB-CZ2 3.72Å; L200-W213 WeakPolarHBondContact CA-O 3.34Å; V201-W213 HydrophobicContact CB-CB 4.42Å; V201-W213 PolarHBondContact N-O 2.81Å; V201-W213 PolarHBondContact O-N 3.12Å; S203-W213 PolarHBondContact OG-NE1 2.86Å; K211-W213 HydrophobicContact CB-CZ2 3.94Å; K211-W213 HydrophobicContact CD-CH2 4.43Å; K211-W213 HydrophobicContact CD-CZ2 3.8Å; K211-W213 HydrophobicContact CG-CZ2 4.44Å; W213-P222 HydrophobicContact CD2-CB 3.98Å; W213-P222 HydrophobicContact CE3-CB 3.82Å; W213-P222 HydrophobicContact CH2-CB 3.94Å; W213-P222 HydrophobicContact CH2-CG 4.18Å; W213-P222 HydrophobicContact CZ2-CB 4.08Å; W213-P222 HydrophobicContact CZ3-CB 3.81Å; W213-P222 HydrophobicContact CZ3-CG 4.22Å |
| 214 | D | 97.2 | Very high | 96.5 | Very high | 24 Ų | 24 | 44.4 Ų | 44.4 | 13% | 0.128 | 25% | 0.25 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.2 | 115.6 | 168 | -171.5 | -31.4 | 0 | 0 | 0 | 108.9 | Q199 L200 R216 M217 T223 | Q199-D214 WeakPolarHBondContact O-CA 3.45Å; L200-D214 HydrophobicContact CD2-CB 3.75Å; D214-R216 PolarHBondContact O-N 2.84Å; D214-R216 WeakPolarHBondContact OD1-CB 3.17Å; D214-R216 VanDerWaalsContact OD1-CD 3.31Å; D214-R216 WeakPolarHBondContact OD1-CD 3.47Å; D214-R216 WeakPolarHBondContact OD1-CG 3.22Å; D214-R216 PolarHBondContact OD1-N 2.94Å; D214-R216 IonicContact OD1-NH1 2.69Å; D214-R216 IonicContact OD2-CZ 3.99Å; D214-R216 IonicContact OD2-NH1 3.3Å; D214-R216 PolarHBondContact OD2-NH1 2.81Å; D214-M217 HydrophobicContact CB-CG 4.35Å; D214-M217 HydrophobicContact CB-SD 4.47Å; D214-M217 PolarHBondContact O-N 2.79Å; D214-T223 HydrophobicContact CB-CG2 3.89Å |
| 215 | L | 96.1 | Very high | 96.4 | Very high | 34 Ų | 34 | 47.6 Ų | 47.6 | 18% | 0.178 | 27% | 0.27 | C | S | . | . | G | 310 helix | trans | -62.9 | -22.9 | -177.3 | -60.9 | 175.4 | 0 | 0 | 0 | 112.7 | V167 W181 F193 Q199 V201 M217 G218 | V167-L215 HydrophobicContact CG1-CD1 4.14Å; V167-L215 HydrophobicContact CG2-CD1 4.13Å; V167-L215 HydrophobicContact CG2-CD2 3.99Å; W181-L215 HydrophobicContact CH2-CD2 3.96Å; W181-L215 HydrophobicContact CZ3-CD2 4.19Å; F193-L215 HydrophobicContact CE1-CD1 4.34Å; Q199-L215 WeakPolarHBondContact O-CG 3.21Å; Q199-L215 PolarHBondContact O-N 3.01Å; V201-L215 HydrophobicContact CG2-CD1 4.03Å; V201-L215 HydrophobicContact CG2-CD2 4.43Å; V201-L215 HydrophobicContact CG2-CG 4.28Å; L215-M217 VanDerWaalsContact C-N 3.26Å; L215-M217 PolarHBondContact O-N 2.89Å; L215-G218 PolarHBondContact O-N 2.82Å |
| 216 | R | 95.8 | Very high | 96.4 | Very high | 143 Ų | 143 | 48 Ų | 48 | 54% | 0.54 | 27% | 0.273 | S | S | . | . | G | 310 helix | trans | -64.9 | -29.3 | 173.6 | -56.2 | 163.4 | -176.8 | 114.1 | 1.4 | 112.6 | D197 Q199 D214 | D197-R216 IonicContact OD1-CZ 3.74Å; D197-R216 IonicContact OD1-NH1 2.7Å; D197-R216 IonicContact OD1-NH2 2.74Å; D197-R216 PolarHBondContact OD1-NH2 2.99Å; D197-R216 IonicContact OD2-CZ 3.44Å; D197-R216 VanDerWaalsContact OD2-CZ 3.26Å; D197-R216 IonicContact OD2-NH1 2.74Å; D197-R216 PolarHBondContact OD2-NH1 2.82Å; D197-R216 IonicContact OD2-NH2 3.15Å; D197-R216 PolarHBondContact OD2-NH2 2.7Å; Q199-R216 HydrophobicContact CB-CG 4.07Å; Q199-R216 VanDerWaalsContact CB-CZ 3.46Å; Q199-R216 HydrophobicContact CG-CG 4.12Å; D214-R216 PolarHBondContact O-N 2.84Å; D214-R216 WeakPolarHBondContact OD1-CB 3.17Å; D214-R216 VanDerWaalsContact OD1-CD 3.31Å; D214-R216 WeakPolarHBondContact OD1-CD 3.47Å; D214-R216 WeakPolarHBondContact OD1-CG 3.22Å; D214-R216 PolarHBondContact OD1-N 2.94Å; D214-R216 IonicContact OD1-NH1 2.69Å; D214-R216 IonicContact OD2-CZ 3.99Å; D214-R216 IonicContact OD2-NH1 3.3Å; D214-R216 PolarHBondContact OD2-NH1 2.81Å |
| 217 | M | 93.8 | Very high | 96.4 | Very high | 140 Ų | 140 | 52.1 Ų | 52.1 | 69% | 0.69 | 29% | 0.287 | S | S | * | . | G | 310 helix | trans | -90 | -11.2 | -178.3 | -62.2 | -175 | 65.2 | 0 | 0 | 112.7 | D214 L215 | D214-M217 HydrophobicContact CB-CG 4.35Å; D214-M217 HydrophobicContact CB-SD 4.47Å; D214-M217 PolarHBondContact O-N 2.79Å; L215-M217 VanDerWaalsContact C-N 3.26Å; L215-M217 PolarHBondContact O-N 2.89Å |
| 218 | G | 90 | Very high | 96.4 | Very high | 28 Ų | 28 | 55.7 Ų | 55.7 | 29% | 0.289 | 30% | 0.3 | S | S | . | . | trans | 77.3 | 154.8 | -167.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | L215 S220 | L215-G218 PolarHBondContact O-N 2.82Å; G218-S220 PolarHBondContact O-N 3.22Å; G218-S220 VanDerWaalsContact O-N 3.1Å | ||
| 219 | P | 89.9 | Confident | 96.4 | Very high | 40 Ų | 40 | 54.1 Ų | 54.1 | 26% | 0.26 | 29% | 0.288 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -82.7 | 18.2 | -169.7 | 36.6 | -40.7 | 0 | 0 | 0 | 114.7 | W181 S221 | W181-P219 HydrophobicContact CB-CB 3.76Å; W181-P219 HydrophobicContact CB-CG 4.02Å; W181-P219 HydrophobicContact CD2-CB 3.36Å; W181-P219 HydrophobicContact CD2-CG 4.23Å; W181-P219 HydrophobicContact CE3-CB 3.53Å; W181-P219 HydrophobicContact CE3-CG 4.06Å; W181-P219 HydrophobicContact CG-CB 3.49Å; W181-P219 VanDerWaalsContact CG-CB 3.49Å; W181-P219 HydrophobicContact CG-CG 4.26Å; W181-P219 HydrophobicContact CZ3-CB 4.23Å; P219-S221 PolarHBondContact O-N 2.84Å |
| 220 | S | 90.6 | Very high | 96.3 | Very high | 111 Ų | 111 | 57 Ų | 57 | 78% | 0.776 | 31% | 0.312 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.6 | -21 | -173.1 | 55 | 0 | 0 | 0 | 0 | 114.1 | G218 | G218-S220 PolarHBondContact O-N 3.22Å; G218-S220 VanDerWaalsContact O-N 3.1Å |
| 221 | S | 94.4 | Very high | 96.3 | Very high | 71 Ų | 71 | 61 Ų | 61 | 50% | 0.497 | 33% | 0.332 | S | S | . | . | S | Bend | trans | -155.9 | 140.5 | 175.7 | 57.1 | 0 | 0 | 0 | 0 | 110.4 | P219 | P219-S221 PolarHBondContact O-N 2.84Š|
| 222 | P | 97.6 | Very high | 96.3 | Very high | 44 Ų | 44 | 60.4 Ų | 60.4 | 29% | 0.286 | 33% | 0.33 | S | S | . | . | trans | -71.1 | 146.3 | 176 | 31.3 | -35.4 | 0 | 0 | 0 | 111.3 | K211 G212 W213 F224 T225 | K211-P222 HydrophobicContact CB-CB 4.24Å; G212-P222 CarbonylContact O-C 3.31Å; G212-P222 WeakPolarHBondContact O-CA 3.21Å; G212-P222 WeakPolarHBondContact O-CB 3.42Å; W213-P222 HydrophobicContact CD2-CB 3.98Å; W213-P222 HydrophobicContact CE3-CB 3.82Å; W213-P222 HydrophobicContact CH2-CB 3.94Å; W213-P222 HydrophobicContact CH2-CG 4.18Å; W213-P222 HydrophobicContact CZ2-CB 4.08Å; W213-P222 HydrophobicContact CZ3-CB 3.81Å; W213-P222 HydrophobicContact CZ3-CG 4.22Å; P222-F224 VanDerWaalsContact C-N 3.28Å; P222-F224 WeakPolarHBondContact CB-O 3.18Å; P222-F224 PolarHBondContact O-N 2.87Å; P222-T225 WeakPolarHBondContact CG-OG1 3.3Å | ||
| 223 | T | 96.8 | Very high | 96.3 | Very high | 76 Ų | 76 | 60.4 Ų | 60.4 | 47% | 0.466 | 33% | 0.33 | S | S | . | . | S | Bend | trans | -68.5 | -28.7 | 176.7 | 56.3 | 0 | 0 | 0 | 0 | 112.1 | G212 D214 | G212-T223 VanDerWaalsContact C-OG1 3.29Å; G212-T223 PolarHBondContact O-N 3.09Å; G212-T223 PolarHBondContact O-OG1 2.81Å; D214-T223 HydrophobicContact CB-CG2 3.89Å |
| 224 | F | 97.8 | Very high | 96.3 | Very high | 39 Ų | 39 | 60.1 Ų | 60.1 | 17% | 0.171 | 33% | 0.33 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.2 | 159.9 | 166.5 | 72.3 | -93.3 | 0 | 0 | 0 | 111.5 | Y202 L210 G212 P222 M263 | Y202-F224 HydrophobicContact CD1-CE1 4.12Å; Y202-F224 HydrophobicContact CD1-CZ 4.08Å; Y202-F224 HydrophobicContact CE1-CE1 4.06Å; Y202-F224 HydrophobicContact CE1-CZ 4.36Å; L210-F224 HydrophobicContact CD2-CE2 4.11Å; L210-F224 HydrophobicContact CD2-CZ 4.49Å; L210-F224 HydrophobicContact CG-CE2 4.02Å; L210-F224 HydrophobicContact CG-CZ 4.42Å; G212-F224 VanDerWaalsContact CA-CE1 3.42Å; G212-F224 PolarHBondContact N-O 2.93Å; P222-F224 VanDerWaalsContact C-N 3.28Å; P222-F224 WeakPolarHBondContact CB-O 3.18Å; P222-F224 PolarHBondContact O-N 2.87Å; F224-M263 HydrophobicContact CB-CB 4.31Å; F224-M263 HydrophobicContact CD1-CB 4.13Å; F224-M263 HydrophobicContact CD1-CG 3.85Å; F224-M263 HydrophobicContact CD2-CB 3.56Å; F224-M263 HydrophobicContact CD2-CG 4.02Å; F224-M263 HydrophobicContact CE1-CB 4.34Å; F224-M263 HydrophobicContact CE1-CE 4.46Å; F224-M263 HydrophobicContact CE1-CG 3.72Å; F224-M263 HydrophobicContact CE2-CB 3.84Å; F224-M263 HydrophobicContact CE2-CE 3.74Å; F224-M263 HydrophobicContact CE2-CG 3.93Å; F224-M263 HydrophobicContact CG-CB 3.73Å; F224-M263 HydrophobicContact CG-CG 3.99Å; F224-M263 HydrophobicContact CZ-CB 4.23Å; F224-M263 HydrophobicContact CZ-CE 3.65Å; F224-M263 HydrophobicContact CZ-CG 3.79Å; F224-M263 HydrophobicContact CZ-SD 4.41Å |
| 225 | T | 98.3 | Very high | 96.4 | Very high | 67 Ų | 67 | 59.3 Ų | 59.3 | 41% | 0.411 | 33% | 0.325 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.8 | 120 | 166.1 | -61.4 | 0 | 0 | 0 | 0 | 108.6 | K209 L210 K211 P222 | K209-T225 HydrophobicContact CB-CG2 4.04Å; K209-T225 HydrophobicContact CD-CG2 4.17Å; K209-T225 HydrophobicContact CG-CG2 3.9Å; L210-T225 WeakPolarHBondContact O-CA 3.47Å; K211-T225 HydrophobicContact CG-CG2 4.02Å; P222-T225 WeakPolarHBondContact CG-OG1 3.3Å |
| 226 | S | 98.4 | Very high | 96.5 | Very high | 8 Ų | 8 | 58 Ų | 58 | 6% | 0.056 | 32% | 0.319 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.3 | 143.8 | 174.7 | 179.5 | 0 | 0 | 0 | 0 | 110 | K209 L210 R228 W258 | K209-S226 WeakPolarHBondContact CA-O 3.48Å; L210-S226 PolarHBondContact N-O 2.86Å; L210-S226 PolarHBondContact O-N 2.9Å; S226-R228 PolarHBondContact OG-N 2.86Å; S226-W258 WeakPolarHBondContact OG-CH2 3.42Å |
| 227 | K | 97.7 | Very high | 96.7 | Very high | 158 Ų | 158 | 52.3 Ų | 52.3 | 69% | 0.687 | 30% | 0.299 | S | S | * | . | trans | -128.5 | 44.6 | 174.5 | -62.9 | -173.6 | 178.2 | -170 | 0 | 109.6 | K209 H229 | K209-K227 HydrophobicContact CG-CG 4.09Å; K227-H229 CarbonylContact C-O 3.57Å | ||
| 228 | R | 97.9 | Very high | 96.9 | Very high | 86 Ų | 86 | 45.7 Ų | 45.7 | 33% | 0.325 | 27% | 0.266 | S | S | . | . | trans | -89.4 | -30.1 | 179.1 | -81.7 | -61.9 | -56.5 | -112.2 | 2.6 | 113.3 | S226 L256 W258 Q265 E269 | S226-R228 PolarHBondContact OG-N 2.86Å; R228-L256 HydrophobicContact CB-CD1 3.91Å; R228-W258 HydrophobicContact CB-CH2 3.75Å; R228-W258 HydrophobicContact CB-CZ2 4.14Å; R228-W258 HydrophobicContact CG-CH2 3.81Å; R228-Q265 VanDerWaalsContact NH1-CD 3.34Å; R228-E269 IonicContact CZ-OE2 3.82Å; R228-E269 IonicContact NH2-OE2 2.75Å; R228-E269 PolarHBondContact NH2-OE2 2.83Å | ||
| 229 | H | 98.3 | Very high | 97.2 | Very high | 9 Ų | 9 | 44.4 Ų | 44.4 | 4% | 0.042 | 25% | 0.253 | C | S | . | . | S | Bend | trans | -70.4 | 142.3 | 159.1 | -74.6 | -59.2 | 0 | 0 | 0 | 109.3 | K227 V233 T248 S250 D252 Q254 | K227-H229 CarbonylContact C-O 3.57Å; H229-V233 HydrophobicContact CB-CG2 3.78Å; H229-T248 PolarHBondContact NE2-OG1 3.43Å; H229-S250 WeakPolarHBondContact CE1-CB 3.2Å; H229-S250 VanDerWaalsContact CG-CB 3.45Å; H229-S250 WeakPolarHBondContact ND1-CB 3.43Å; H229-D252 WeakPolarHBondContact CA-OD2 3.48Å; H229-D252 WeakPolarHBondContact CB-OD2 3.35Å; H229-D252 IonicContact CE1-OD1 3.72Å; H229-D252 IonicContact CG-OD2 3.68Å; H229-D252 IonicContact ND1-OD1 2.81Å; H229-D252 PolarHBondContact ND1-OD1 3.1Å; H229-D252 IonicContact ND1-OD2 2.65Å; H229-D252 PolarHBondContact ND1-OD2 3.28Å; H229-D252 VanDerWaalsContact ND1-OD2 3.1Å; H229-Q254 PolarHBondContact CE1-O 3.25Å |
| 230 | S | 98.3 | Very high | 97.5 | Very high | 89 Ų | 89 | 44.1 Ų | 44.1 | 62% | 0.622 | 25% | 0.251 | S | S | * | . | S | Bend | trans | -98.6 | -15.7 | 179.3 | 53.9 | 0 | 0 | 0 | 0 | 112.7 | C208 D252 | C208-S230 PolarHBondContact SG-O 3.4Å; S230-D252 PolarHBondContact N-OD2 2.9Å; S230-D252 WeakPolarHBondContact OG-CB 3.38Å |
| 231 | M | 98.5 | Very high | 97.7 | Very high | 88 Ų | 88 | 41.5 Ų | 41.5 | 43% | 0.433 | 23% | 0.226 | S | C | . | . | S | Bend | trans | -129 | -172.1 | 176.6 | -57.8 | -172.9 | 72.8 | 0 | 0 | 111.1 | C208 V233 S250 Y251 D252 | C208-M231 WeakPolarHBondContact CA-O 3.36Å; C208-M231 VanDerWaalsContact SG-CA 3.58Å; M231-V233 PolarHBondContact O-N 2.96Å; M231-S250 PolarHBondContact O-OG 2.8Å; M231-Y251 HydrophobicContact CE-CD1 3.49Å; M231-Y251 VanDerWaalsContact CE-CD1 3.49Å; M231-Y251 HydrophobicContact CE-CE1 3.96Å; M231-Y251 HydrophobicContact CE-CG 4.41Å; M231-Y251 HydrophobicContact SD-CD1 3.88Å; M231-D252 HydrophobicContact CB-CB 4.06Å; M231-D252 HydrophobicContact CG-CB 4.08Å; M231-D252 PolarHBondContact N-OD2 3.3Å |
| 232 | G | 98.4 | Very high | 97.8 | Very high | 3 Ų | 3 | 41.2 Ų | 41.2 | 3% | 0.031 | 21% | 0.214 | C | C | . | . | trans | -59.7 | 129.5 | -175 | 0 | 0 | 0 | 0 | 0 | 113.8 | G205 C234 S250 Y251 | G205-G232 WeakPolarHBondContact O-CA 3.43Å; G232-C234 PolarHBondContact O-N 2.86Å; G232-C234 PolarHBondContact O-SG 2.84Å; G232-C234 VanDerWaalsContact O-SG 3.33Å; G232-S250 CarbonylContact O-C 3.57Å; G232-S250 VanDerWaalsContact O-CA 3.29Å; G232-S250 WeakPolarHBondContact O-CA 3.38Å; G232-S250 PolarHBondContact O-OG 2.87Å; G232-Y251 PolarHBondContact O-N 2.92Å | ||
| 233 | V | 98.8 | Very high | 97.7 | Very high | 0 Ų | 0 | 43.7 Ų | 43.7 | 0% | 0 | 22% | 0.222 | C | C | . | . | trans | -84.7 | 95.4 | -178.4 | -176.3 | 0 | 0 | 0 | 0 | 109.5 | I190 G204 G205 L210 H229 M231 V236 | I190-V233 VanDerWaalsContact CG2-O 3.31Å; I190-V233 WeakPolarHBondContact CG2-O 3.43Å; G204-V233 CarbonylContact C-O 3.51Å; G205-V233 PolarHBondContact O-N 2.94Å; G205-V233 VanDerWaalsContact O-N 3.1Å; L210-V233 HydrophobicContact CD1-CG1 4.35Å; H229-V233 HydrophobicContact CB-CG2 3.78Å; M231-V233 PolarHBondContact O-N 2.96Å; V233-V236 HydrophobicContact CG1-CG2 4.25Å | ||
| 234 | C | 98.6 | Very high | 97.6 | Very high | 5 Ų | 5 | 43.6 Ų | 43.6 | 3% | 0.034 | 21% | 0.213 | C | C | . | . | trans | -84.3 | -21.7 | -171.8 | -55.8 | 0 | 0 | 0 | 0 | 114.5 | G232 G249 W277 | G232-C234 PolarHBondContact O-N 2.86Å; G232-C234 PolarHBondContact O-SG 2.84Å; G232-C234 VanDerWaalsContact O-SG 3.33Å; C234-G249 PolarHBondContact N-O 3.3Å; C234-W277 HydrophobicContact CB-CD2 4.34Å; C234-W277 HydrophobicContact CB-CE3 3.88Å; C234-W277 HydrophobicContact CB-CZ3 4.3Å; C234-W277 VanDerWaalsContact SG-CZ3 3.6Å | ||
| 235 | S | 98.6 | Very high | 97.6 | Very high | 6 Ų | 6 | 42.5 Ų | 42.5 | 4% | 0.042 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.4 | 141.6 | -177.3 | -152.2 | 0 | 0 | 0 | 0 | 113.5 | T248 G249 L279 | S235-T248 CarbonylContact O-C 3.59Å; S235-T248 VanDerWaalsContact O-CA 3.26Å; S235-T248 WeakPolarHBondContact O-CA 3.42Å; S235-G249 PolarHBondContact N-O 2.86Å; S235-G249 PolarHBondContact O-N 3Å; S235-L279 PolarHBondContact OG-N 2.73Å; S235-L279 VanDerWaalsContact OG-N 3.09Å |
| 236 | V | 98.8 | Very high | 97.6 | Very high | 7 Ų | 7 | 39.3 Ų | 39.3 | 4% | 0.042 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.3 | 123.9 | 176.2 | -179.9 | 0 | 0 | 0 | 0 | 107.7 | I190 A192 Y202 L210 V233 L246 A247 T248 | I190-V236 HydrophobicContact CG1-CB 4.2Å; I190-V236 HydrophobicContact CG1-CG2 4.43Å; I190-V236 HydrophobicContact CG2-CB 4.33Å; I190-V236 HydrophobicContact CG2-CG2 3.66Å; A192-V236 HydrophobicContact CB-CB 4.4Å; A192-V236 HydrophobicContact CB-CG1 4.25Å; Y202-V236 HydrophobicContact CD2-CG1 4.25Å; Y202-V236 HydrophobicContact CG-CG1 4.31Å; L210-V236 HydrophobicContact CD1-CG2 3.63Å; V233-V236 HydrophobicContact CG1-CG2 4.25Å; V236-L246 HydrophobicContact CG1-CD1 3.7Å; V236-L246 HydrophobicContact CG1-CD2 4.06Å; V236-L246 HydrophobicContact CG1-CG 4.08Å; V236-A247 CarbonylContact C-O 3.58Å; V236-A247 WeakPolarHBondContact CA-O 3.47Å; V236-T248 HydrophobicContact CG1-CG2 4.31Å; V236-T248 HydrophobicContact CG2-CG2 4.15Å |
| 237 | H | 98.6 | Very high | 97.6 | Very high | 24 Ų | 24 | 38.9 Ų | 38.9 | 11% | 0.111 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.3 | 117 | 179.8 | -158.9 | -54.9 | 0 | 0 | 0 | 112 | Y195 A247 L279 W281 | Y195-H237 AromaticContact CE2-CE1 3.74Å; Y195-H237 AromaticContact CZ-CE1 3.87Å; Y195-H237 PolarHBondContact OH-CE1 2.62Å; H237-A247 PolarHBondContact N-O 3.07Å; H237-A247 PolarHBondContact O-N 2.94Å; H237-L279 HydrophobicContact CB-CB 4.47Å; H237-L279 PolarHBondContact CD2-O 2.9Å; H237-W281 AromaticContact ND1-CD1 3.54Å; H237-W281 PolarHBondContact O-NE1 2.86Å |
| 238 | S | 98.1 | Very high | 97.7 | Very high | 1 Ų | 1 | 31.4 Ų | 31.4 | 1% | 0.007 | 15% | 0.154 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -61.8 | 138.9 | 171.7 | -65.4 | 0 | 0 | 0 | 0 | 110.4 | F193 S194 Y195 P240 | F193-S238 PolarHBondContact O-OG 2.9Å; S194-S238 WeakPolarHBondContact CA-OG 3.36Å; Y195-S238 VanDerWaalsContact CG-CB 3.5Å; Y195-S238 PolarHBondContact N-OG 3.48Å; S238-P240 WeakPolarHBondContact O-CD 3.38Å |
| 239 | S | 97.4 | Very high | 97.7 | Very high | 1 Ų | 1 | 27.3 Ų | 27.3 | 1% | 0.007 | 14% | 0.138 | C | C | . | . | trans | -70.1 | 125.3 | 170.7 | -176.2 | 0 | 0 | 0 | 0 | 109.7 | W196 H241 R242 I245 | W196-S239 PolarHBondContact NE1-O 3.15Å; S239-H241 PolarHBondContact O-N 2.82Å; S239-H241 PolarHBondContact OG-N 2.74Å; S239-R242 PolarHBondContact OG-N 3.42Å; S239-I245 WeakPolarHBondContact CB-O 3.43Å; S239-I245 PolarHBondContact N-O 2.79Å | ||
| 240 | P | 95.6 | Very high | 97.8 | Very high | 34 Ų | 34 | 26.9 Ų | 26.9 | 22% | 0.221 | 14% | 0.136 | C | C | . | . | S | Bend | trans | -71.7 | -14.7 | 173.1 | 28.8 | -32.5 | 0 | 0 | 0 | 112.5 | Y195 W196 S238 W281 | Y195-P240 HydrophobicContact CD2-CB 4.15Å; W196-P240 WeakPolarHBondContact CZ2-O 3.39Å; S238-P240 WeakPolarHBondContact O-CD 3.38Å; P240-W281 HydrophobicContact CG-CB 4.36Å |
| 241 | H | 95.9 | Very high | 97.8 | Very high | 55 Ų | 55 | 26.8 Ų | 26.8 | 26% | 0.255 | 12% | 0.123 | S | C | . | . | S | Bend | trans | -97.1 | -43.1 | -172.7 | -57.6 | -68.5 | 0 | 0 | 0 | 114 | W196 S239 H282 P283 E286 | W196-H241 WeakPolarHBondContact CZ2-O 3.31Å; S239-H241 PolarHBondContact O-N 2.82Å; S239-H241 PolarHBondContact OG-N 2.74Å; H241-H282 PolarHBondContact NE2-O 2.68Å; H241-P283 PolarHBondContact CE1-O 3.22Å; H241-P283 VanDerWaalsContact CE1-O 3.25Å; H241-E286 HydrophobicContact CB-CB 3.42Å; H241-E286 VanDerWaalsContact CB-CB 3.42Å |
| 242 | R | 95.8 | Very high | 97.8 | Very high | 65 Ų | 65 | 23.3 Ų | 23.3 | 25% | 0.245 | 11% | 0.106 | C | C | . | . | S | Bend | trans | -119.1 | 122.8 | -176.5 | -66 | -172.8 | 175.1 | -159.3 | -3 | 111.2 | S239 I245 E286 H287 L307 | S239-R242 PolarHBondContact OG-N 3.42Å; R242-I245 HydrophobicContact CB-CB 4.12Å; R242-I245 HydrophobicContact CB-CG1 3.59Å; R242-I245 PolarHBondContact O-N 3.18Å; R242-E286 WeakPolarHBondContact CG-OE2 3.37Å; R242-E286 IonicContact CZ-OE1 3.99Å; R242-E286 IonicContact CZ-OE2 2.7Å; R242-E286 IonicContact NE-OE1 3.61Å; R242-E286 IonicContact NE-OE2 3.53Å; R242-E286 PolarHBondContact NE-OE2 2.99Å; R242-E286 IonicContact NH2-OE1 3.25Å; R242-E286 PolarHBondContact NH2-OE1 2.83Å; R242-E286 IonicContact NH2-OE2 3.69Å; R242-E286 PolarHBondContact NH2-OE2 2.81Å; R242-H287 PolarHBondContact NH2-CE1 3.46Å; R242-L307 PolarHBondContact NH1-O 3.03Å |
| 243 | E | 95.7 | Very high | 97.7 | Very high | 97 Ų | 97 | 27 Ų | 27 | 45% | 0.453 | 12% | 0.123 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -56.1 | 147.3 | 169.8 | -161.1 | -166.6 | 141.2 | 0 | 0 | 110.2 | W196 I245 | W196-E243 HydrophobicContact CB-CG 3.87Å; W196-E243 HydrophobicContact CD2-CB 3.74Å; W196-E243 HydrophobicContact CD2-CG 3.84Å; W196-E243 HydrophobicContact CE3-CB 3.73Å; W196-E243 HydrophobicContact CE3-CG 3.86Å; W196-E243 HydrophobicContact CG-CB 4.14Å; W196-E243 HydrophobicContact CG-CG 3.82Å; W196-E243 HydrophobicContact CZ3-CB 4.14Å; E243-I245 PolarHBondContact O-N 2.9Å; E243-I245 VanDerWaalsContact O-N 3.1Å |
| 244 | R | 95 | Very high | 97.7 | Very high | 73 Ų | 73 | 28.8 Ų | 28.8 | 28% | 0.275 | 13% | 0.131 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 66.8 | -2.4 | 179.4 | -47.3 | -56.6 | 164.7 | -176 | -8.7 | 116.3 | D259 E260 R261 | R244-D259 CarbonylContact O-C 3.59Å; R244-D259 WeakPolarHBondContact O-CA 3.33Å; R244-E260 HydrophobicContact CB-CB 4.02Å; R244-E260 HydrophobicContact CB-CG 4.38Å; R244-E260 WeakPolarHBondContact CD-OE2 3.27Å; R244-E260 HydrophobicContact CG-CB 4.47Å; R244-E260 IonicContact CZ-OE2 3.9Å; R244-E260 IonicContact NE-OE2 3.76Å; R244-E260 IonicContact NH1-OE2 2.98Å; R244-E260 PolarHBondContact NH1-OE2 2.81Å; R244-E260 PolarHBondContact O-N 2.88Å; R244-R261 HydrophobicContact CG-CG 4.24Å |
| 245 | I | 97.8 | Very high | 97.7 | Very high | 16 Ų | 16 | 28.6 Ų | 28.6 | 8% | 0.082 | 13% | 0.13 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.7 | 120.3 | 175.5 | -60.2 | -56.4 | 0 | 0 | 0 | 110.4 | S239 R242 E243 W258 L267 W281 L307 | S239-I245 WeakPolarHBondContact CB-O 3.43Å; S239-I245 PolarHBondContact N-O 2.79Å; R242-I245 HydrophobicContact CB-CB 4.12Å; R242-I245 HydrophobicContact CB-CG1 3.59Å; R242-I245 PolarHBondContact O-N 3.18Å; E243-I245 PolarHBondContact O-N 2.9Å; E243-I245 VanDerWaalsContact O-N 3.1Å; I245-W258 WeakPolarHBondContact CA-O 3.01Å; I245-L267 HydrophobicContact CD1-CD1 3.76Å; I245-W281 HydrophobicContact CG2-CH2 4.21Å; I245-W281 HydrophobicContact CG2-CZ2 3.78Å; I245-L307 HydrophobicContact CB-CD2 4.38Å; I245-L307 HydrophobicContact CD1-CD2 3.87Å; I245-L307 HydrophobicContact CG1-CD2 3.99Å; I245-L307 HydrophobicContact CG2-CD2 3.48Å; I245-L307 VanDerWaalsContact CG2-CD2 3.48Å |
| 246 | L | 98.1 | Very high | 97.7 | Very high | 0 Ų | 0 | 28.4 Ų | 28.4 | 0% | 0 | 13% | 0.128 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.8 | 133.8 | 176.9 | -170.7 | 71.1 | 0 | 0 | 0 | 109.4 | Y202 V236 T248 W258 M263 | Y202-L246 HydrophobicContact CD1-CD2 4.29Å; Y202-L246 HydrophobicContact CD2-CD1 3.67Å; Y202-L246 HydrophobicContact CD2-CD2 4.05Å; Y202-L246 HydrophobicContact CE1-CD2 4.45Å; Y202-L246 HydrophobicContact CE2-CD1 3.7Å; Y202-L246 HydrophobicContact CE2-CD2 4.19Å; Y202-L246 HydrophobicContact CG-CD1 4.48Å; Y202-L246 HydrophobicContact CG-CD2 4.11Å; V236-L246 HydrophobicContact CG1-CD1 3.7Å; V236-L246 HydrophobicContact CG1-CD2 4.06Å; V236-L246 HydrophobicContact CG1-CG 4.08Å; L246-T248 HydrophobicContact CD2-CG2 4.18Å; L246-T248 HydrophobicContact CG-CG2 4.28Å; L246-W258 HydrophobicContact CB-CB 4.26Å; L246-W258 PolarHBondContact N-O 2.75Å; L246-W258 PolarHBondContact O-N 2.99Å; L246-M263 HydrophobicContact CD2-CE 4.06Å |
| 247 | A | 98.8 | Very high | 97.7 | Very high | 0 Ų | 0 | 28 Ų | 28 | 0% | 0 | 13% | 0.126 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.7 | 136.8 | 170 | 0 | 0 | 0 | 0 | 0 | 109.8 | V236 H237 L257 L279 W281 L289 | V236-A247 CarbonylContact C-O 3.58Å; V236-A247 WeakPolarHBondContact CA-O 3.47Å; H237-A247 PolarHBondContact N-O 3.07Å; H237-A247 PolarHBondContact O-N 2.94Å; A247-L257 HydrophobicContact CB-CD2 3.56Å; A247-L279 HydrophobicContact CB-CD1 4.03Å; A247-W281 HydrophobicContact CB-CZ2 3.85Å; A247-L289 HydrophobicContact CB-CD1 4.43Å; A247-L289 HydrophobicContact CB-CD2 3.92Å |
| 248 | T | 98.9 | Very high | 97.7 | Very high | 0 Ų | 0 | 26.9 Ų | 26.9 | 0% | 0 | 12% | 0.121 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.3 | 141.2 | 176.4 | 68.4 | 0 | 0 | 0 | 0 | 110.7 | L210 H229 S235 V236 L246 V255 L256 W258 | L210-T248 HydrophobicContact CD1-CG2 3.92Å; L210-T248 HydrophobicContact CD2-CG2 3.74Å; L210-T248 HydrophobicContact CG-CG2 4.47Å; H229-T248 PolarHBondContact NE2-OG1 3.43Å; S235-T248 CarbonylContact O-C 3.59Å; S235-T248 VanDerWaalsContact O-CA 3.26Å; S235-T248 WeakPolarHBondContact O-CA 3.42Å; V236-T248 HydrophobicContact CG1-CG2 4.31Å; V236-T248 HydrophobicContact CG2-CG2 4.15Å; L246-T248 HydrophobicContact CD2-CG2 4.18Å; L246-T248 HydrophobicContact CG-CG2 4.28Å; T248-V255 WeakPolarHBondContact O-CA 3.37Å; T248-L256 PolarHBondContact N-O 2.82Å; T248-L256 PolarHBondContact O-N 3.4Å; T248-W258 PolarHBondContact OG1-NE1 2.94Å |
| 249 | G | 98.8 | Very high | 97.6 | Very high | 0 Ų | 0 | 28 Ų | 28 | 0% | 0 | 13% | 0.126 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.8 | 147 | 178.9 | 0 | 0 | 0 | 0 | 0 | 110.1 | C234 S235 V276 | C234-G249 PolarHBondContact N-O 3.3Å; S235-G249 PolarHBondContact N-O 2.86Å; S235-G249 PolarHBondContact O-N 3Å; G249-V276 CarbonylContact C-O 3.37Å |
| 250 | S | 98.8 | Very high | 97.5 | Very high | 0 Ų | 0 | 29.3 Ų | 29.3 | 0% | 0 | 13% | 0.132 | C | C | . | . | trans | -144.6 | 159.8 | -172.3 | 172.5 | 0 | 0 | 0 | 0 | 111.2 | H229 M231 G232 D252 E253 V276 | H229-S250 WeakPolarHBondContact CE1-CB 3.2Å; H229-S250 VanDerWaalsContact CG-CB 3.45Å; H229-S250 WeakPolarHBondContact ND1-CB 3.43Å; M231-S250 PolarHBondContact O-OG 2.8Å; G232-S250 CarbonylContact O-C 3.57Å; G232-S250 VanDerWaalsContact O-CA 3.29Å; G232-S250 WeakPolarHBondContact O-CA 3.38Å; G232-S250 PolarHBondContact O-OG 2.87Å; S250-D252 VanDerWaalsContact CB-OD1 3.31Å; S250-D252 WeakPolarHBondContact CB-OD1 3.2Å; S250-D252 WeakPolarHBondContact CB-OD2 3.3Å; S250-D252 PolarHBondContact O-N 2.89Å; S250-D252 VanDerWaalsContact O-N 3.17Å; S250-D252 PolarHBondContact OG-N 3.02Å; S250-D252 PolarHBondContact OG-OD1 3.04Å; S250-D252 PolarHBondContact OG-OD2 3.2Å; S250-E253 PolarHBondContact O-N 3.04Å; S250-V276 PolarHBondContact O-N 2.99Å | ||
| 251 | Y | 98.2 | Very high | 97.4 | Very high | 88 Ų | 88 | 37.2 Ų | 37.2 | 35% | 0.345 | 16% | 0.158 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -59.3 | -20.1 | 171.7 | -156 | -80.5 | 0 | 0 | 0 | 112.7 | M231 G232 E253 M294 | M231-Y251 HydrophobicContact CE-CD1 3.49Å; M231-Y251 VanDerWaalsContact CE-CD1 3.49Å; M231-Y251 HydrophobicContact CE-CE1 3.96Å; M231-Y251 HydrophobicContact CE-CG 4.41Å; M231-Y251 HydrophobicContact SD-CD1 3.88Å; G232-Y251 PolarHBondContact O-N 2.92Å; Y251-E253 PolarHBondContact O-N 3.09Å; Y251-M294 HydrophobicContact CD2-SD 4.39Å; Y251-M294 HydrophobicContact CE2-CE 4.23Å; Y251-M294 HydrophobicContact CE2-SD 3.59Å; Y251-M294 VanDerWaalsContact CE2-SD 3.59Å |
| 252 | D | 98.4 | Very high | 97.3 | Very high | 14 Ų | 14 | 38.3 Ų | 38.3 | 8% | 0.075 | 17% | 0.166 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -73.3 | 17.5 | 173.6 | 59.3 | 47.3 | 0 | 0 | 0 | 115.6 | H229 S230 M231 S250 Q254 | H229-D252 WeakPolarHBondContact CA-OD2 3.48Å; H229-D252 WeakPolarHBondContact CB-OD2 3.35Å; H229-D252 IonicContact CE1-OD1 3.72Å; H229-D252 IonicContact CG-OD2 3.68Å; H229-D252 IonicContact ND1-OD1 2.81Å; H229-D252 PolarHBondContact ND1-OD1 3.1Å; H229-D252 IonicContact ND1-OD2 2.65Å; H229-D252 PolarHBondContact ND1-OD2 3.28Å; H229-D252 VanDerWaalsContact ND1-OD2 3.1Å; S230-D252 PolarHBondContact N-OD2 2.9Å; S230-D252 WeakPolarHBondContact OG-CB 3.38Å; M231-D252 HydrophobicContact CB-CB 4.06Å; M231-D252 HydrophobicContact CG-CB 4.08Å; M231-D252 PolarHBondContact N-OD2 3.3Å; S250-D252 VanDerWaalsContact CB-OD1 3.31Å; S250-D252 WeakPolarHBondContact CB-OD1 3.2Å; S250-D252 WeakPolarHBondContact CB-OD2 3.3Å; S250-D252 PolarHBondContact O-N 2.89Å; S250-D252 VanDerWaalsContact O-N 3.17Å; S250-D252 PolarHBondContact OG-N 3.02Å; S250-D252 PolarHBondContact OG-OD1 3.04Å; S250-D252 PolarHBondContact OG-OD2 3.2Å; D252-Q254 PolarHBondContact O-N 3.19Å; D252-Q254 PolarHBondContact O-NE2 2.69Å; D252-Q254 VanDerWaalsContact OD1-CB 3.29Å; D252-Q254 WeakPolarHBondContact OD1-CB 3.43Å; D252-Q254 WeakPolarHBondContact OD1-CG 3.47Å; D252-Q254 PolarHBondContact OD1-N 3.1Å |
| 253 | E | 98.3 | Very high | 97.3 | Very high | 81 Ų | 81 | 35.9 Ų | 35.9 | 38% | 0.379 | 16% | 0.157 | S | C | . | . | S | Bend | trans | 63.4 | 3.6 | 177.2 | -40.6 | -174.4 | 166.5 | 0 | 0 | 115.3 | S250 Y251 L272 G273 G274 | S250-E253 PolarHBondContact O-N 3.04Å; Y251-E253 PolarHBondContact O-N 3.09Å; E253-L272 PolarHBondContact O-N 3.02Å; E253-G273 WeakPolarHBondContact OE2-CA 3.41Å; E253-G274 WeakPolarHBondContact CA-O 3.06Å |
| 254 | Q | 98.4 | Very high | 97.2 | Very high | 38 Ų | 38 | 41 Ų | 41 | 18% | 0.178 | 17% | 0.172 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.4 | 137 | 179.5 | -51.5 | -45.7 | -61.6 | 0 | 0 | 112.6 | H229 D252 L256 E269 A271 | H229-Q254 PolarHBondContact CE1-O 3.25Å; D252-Q254 PolarHBondContact O-N 3.19Å; D252-Q254 PolarHBondContact O-NE2 2.69Å; D252-Q254 VanDerWaalsContact OD1-CB 3.29Å; D252-Q254 WeakPolarHBondContact OD1-CB 3.43Å; D252-Q254 WeakPolarHBondContact OD1-CG 3.47Å; D252-Q254 PolarHBondContact OD1-N 3.1Å; Q254-L256 HydrophobicContact CB-CD2 4.22Å; Q254-L256 HydrophobicContact CB-CG 4.42Å; Q254-E269 HydrophobicContact CG-CG 4.42Å; Q254-A271 VanDerWaalsContact OE1-N 3.09Å |
| 255 | V | 98.7 | Very high | 97.2 | Very high | 1 Ų | 1 | 42.5 Ų | 42.5 | 1% | 0.006 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.2 | 124.8 | 150.1 | 178.2 | 0 | 0 | 0 | 0 | 108.6 | T248 L257 S270 L272 V276 L279 L289 L301 | T248-V255 WeakPolarHBondContact O-CA 3.37Å; V255-L257 HydrophobicContact CG1-CD2 4.33Å; V255-S270 PolarHBondContact N-O 3.44Å; V255-S270 PolarHBondContact O-N 2.61Å; V255-L272 HydrophobicContact CG2-CD1 3.48Å; V255-L272 VanDerWaalsContact CG2-CD1 3.48Å; V255-L272 HydrophobicContact CG2-CG 4.18Å; V255-V276 HydrophobicContact CG2-CG1 4Å; V255-V276 HydrophobicContact CG2-CG2 4.09Å; V255-L279 HydrophobicContact CG1-CD1 4.3Å; V255-L279 HydrophobicContact CG1-CD2 4.48Å; V255-L279 HydrophobicContact CG2-CD2 3.89Å; V255-L289 HydrophobicContact CG1-CD2 4.06Å; V255-L301 HydrophobicContact CB-CD1 4.32Å; V255-L301 HydrophobicContact CG1-CD1 4.3Å; V255-L301 HydrophobicContact CG2-CD1 4.16Å |
| 256 | L | 98.6 | Very high | 97.1 | Very high | 1 Ų | 1 | 42.9 Ų | 42.9 | 1% | 0.005 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.4 | 128.9 | 170 | -59 | -175.2 | 0 | 0 | 0 | 109.4 | R228 T248 Q254 W258 P266 S268 E269 | R228-L256 HydrophobicContact CB-CD1 3.91Å; T248-L256 PolarHBondContact N-O 2.82Å; T248-L256 PolarHBondContact O-N 3.4Å; Q254-L256 HydrophobicContact CB-CD2 4.22Å; Q254-L256 HydrophobicContact CB-CG 4.42Å; L256-W258 HydrophobicContact CB-CZ2 4.16Å; L256-W258 HydrophobicContact CD1-CH2 4.37Å; L256-W258 HydrophobicContact CD1-CZ2 3.57Å; L256-P266 HydrophobicContact CB-CB 4.17Å; L256-P266 HydrophobicContact CD2-CB 4.32Å; L256-P266 HydrophobicContact CD2-CG 4.14Å; L256-S268 WeakPolarHBondContact CA-O 3.1Å; L256-E269 HydrophobicContact CD2-CB 3.65Å; L256-E269 HydrophobicContact CD2-CG 3.45Å; L256-E269 VanDerWaalsContact CD2-CG 3.45Å |
| 257 | L | 98.4 | Very high | 97 | Very high | 0 Ų | 0 | 45.2 Ų | 45.2 | 0% | 0 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.1 | 141.5 | 167.2 | -61.8 | -171.2 | 0 | 0 | 0 | 109.7 | A247 V255 P266 L267 S268 W281 L289 C303 A306 L307 C314 | A247-L257 HydrophobicContact CB-CD2 3.56Å; V255-L257 HydrophobicContact CG1-CD2 4.33Å; L257-P266 CarbonylContact O-C 3.53Å; L257-P266 VanDerWaalsContact O-CA 3.22Å; L257-P266 WeakPolarHBondContact O-CA 3.1Å; L257-P266 WeakPolarHBondContact O-CB 3.32Å; L257-L267 HydrophobicContact CB-CB 4.46Å; L257-L267 PolarHBondContact O-N 2.91Å; L257-S268 PolarHBondContact N-O 2.88Å; L257-W281 HydrophobicContact CD1-CH2 4.25Å; L257-W281 HydrophobicContact CD2-CH2 4.02Å; L257-W281 HydrophobicContact CD2-CZ2 3.9Å; L257-L289 HydrophobicContact CD2-CD2 4.01Å; L257-C303 HydrophobicContact CD1-CB 3.78Å; L257-A306 HydrophobicContact CD1-CB 3.93Å; L257-L307 HydrophobicContact CD1-CD2 4.27Å; L257-L307 HydrophobicContact CD1-CG 4.5Å; L257-C314 VanDerWaalsContact CD1-SG 3.53Å |
| 258 | W | 98.1 | Very high | 96.9 | Very high | 0 Ų | 0 | 45.4 Ų | 45.4 | 0% | 0 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.6 | 154.8 | -173.6 | -58.4 | 89 | 0 | 0 | 0 | 112.5 | L210 S226 R228 I245 L246 T248 L256 M263 P266 | L210-W258 HydrophobicContact CD2-CZ2 4.31Å; S226-W258 WeakPolarHBondContact OG-CH2 3.42Å; R228-W258 HydrophobicContact CB-CH2 3.75Å; R228-W258 HydrophobicContact CB-CZ2 4.14Å; R228-W258 HydrophobicContact CG-CH2 3.81Å; I245-W258 WeakPolarHBondContact CA-O 3.01Å; L246-W258 HydrophobicContact CB-CB 4.26Å; L246-W258 PolarHBondContact N-O 2.75Å; L246-W258 PolarHBondContact O-N 2.99Å; T248-W258 PolarHBondContact OG1-NE1 2.94Å; L256-W258 HydrophobicContact CB-CZ2 4.16Å; L256-W258 HydrophobicContact CD1-CH2 4.37Å; L256-W258 HydrophobicContact CD1-CZ2 3.57Å; W258-M263 HydrophobicContact CB-CE 3.86Å; W258-M263 HydrophobicContact CB-SD 3.73Å; W258-M263 HydrophobicContact CD2-CE 3.58Å; W258-M263 HydrophobicContact CD2-SD 4.21Å; W258-M263 HydrophobicContact CE3-CE 3.79Å; W258-M263 HydrophobicContact CE3-SD 4.05Å; W258-M263 HydrophobicContact CG-CE 3.63Å; W258-M263 HydrophobicContact CG-SD 4.13Å; W258-P266 HydrophobicContact CD2-CB 4.27Å; W258-P266 HydrophobicContact CE3-CB 4.26Å; W258-P266 HydrophobicContact CH2-CB 4.49Å; W258-P266 HydrophobicContact CZ3-CB 4.38Å |
| 259 | D | 95.8 | Very high | 96.9 | Very high | 24 Ų | 24 | 49.4 Ų | 49.4 | 13% | 0.128 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.4 | 118.6 | 158.6 | -176.2 | -23.7 | 0 | 0 | 0 | 107.5 | R244 R261 N262 L267 | R244-D259 CarbonylContact O-C 3.59Å; R244-D259 WeakPolarHBondContact O-CA 3.33Å; D259-R261 PolarHBondContact O-N 2.81Å; D259-R261 WeakPolarHBondContact OD1-CB 3.33Å; D259-R261 WeakPolarHBondContact OD1-CG 3.4Å; D259-R261 IonicContact OD1-CZ 2.7Å; D259-R261 PolarHBondContact OD1-N 3.41Å; D259-R261 IonicContact OD1-NE 2.83Å; D259-R261 PolarHBondContact OD1-NE 2.93Å; D259-R261 IonicContact OD1-NH2 3.57Å; D259-R261 IonicContact OD2-CZ 3.17Å; D259-R261 IonicContact OD2-NE 3.2Å; D259-R261 PolarHBondContact OD2-NE 2.75Å; D259-R261 IonicContact OD2-NH2 2.74Å; D259-R261 PolarHBondContact OD2-NH2 3.21Å; D259-N262 CarbonylContact O-C 3.56Å; D259-N262 PolarHBondContact O-N 2.9Å; D259-L267 HydrophobicContact CB-CD1 4.2Å; D259-L267 HydrophobicContact CB-CD2 4.1Å; D259-L267 HydrophobicContact CB-CG 4.21Å |
| 260 | E | 95.5 | Very high | 96.8 | Very high | 28 Ų | 28 | 49.8 Ų | 49.8 | 13% | 0.131 | 22% | 0.221 | C | C | . | . | G | 310 helix | trans | -50.6 | -28.4 | 177.5 | -72.3 | 177.5 | -161.9 | 0 | 0 | 112.9 | S194 Y202 R244 N262 | S194-E260 PolarHBondContact OG-OE1 3.29Å; Y202-E260 WeakPolarHBondContact OH-CG 3.47Å; Y202-E260 PolarHBondContact OH-OE1 2.83Å; Y202-E260 PolarHBondContact OH-OE2 2.92Å; R244-E260 HydrophobicContact CB-CB 4.02Å; R244-E260 HydrophobicContact CB-CG 4.38Å; R244-E260 WeakPolarHBondContact CD-OE2 3.27Å; R244-E260 HydrophobicContact CG-CB 4.47Å; R244-E260 IonicContact CZ-OE2 3.9Å; R244-E260 IonicContact NE-OE2 3.76Å; R244-E260 IonicContact NH1-OE2 2.98Å; R244-E260 PolarHBondContact NH1-OE2 2.81Å; R244-E260 PolarHBondContact O-N 2.88Å; E260-N262 PolarHBondContact O-N 3.18Å |
| 261 | R | 93.9 | Very high | 96.7 | Very high | 200 Ų | 200 | 53.1 Ų | 53.1 | 76% | 0.755 | 25% | 0.248 | S | C | * | . | G | 310 helix | trans | -67.5 | -16.1 | 178.1 | -56.6 | 175.3 | -66.6 | -177 | 2.2 | 112.8 | R244 D259 | R244-R261 HydrophobicContact CG-CG 4.24Å; D259-R261 PolarHBondContact O-N 2.81Å; D259-R261 WeakPolarHBondContact OD1-CB 3.33Å; D259-R261 WeakPolarHBondContact OD1-CG 3.4Å; D259-R261 IonicContact OD1-CZ 2.7Å; D259-R261 PolarHBondContact OD1-N 3.41Å; D259-R261 IonicContact OD1-NE 2.83Å; D259-R261 PolarHBondContact OD1-NE 2.93Å; D259-R261 IonicContact OD1-NH2 3.57Å; D259-R261 IonicContact OD2-CZ 3.17Å; D259-R261 IonicContact OD2-NE 3.2Å; D259-R261 PolarHBondContact OD2-NE 2.75Å; D259-R261 IonicContact OD2-NH2 2.74Å; D259-R261 PolarHBondContact OD2-NH2 3.21Å |
| 262 | N | 94.2 | Very high | 96.6 | Very high | 79 Ų | 79 | 49.4 Ų | 49.4 | 42% | 0.422 | 24% | 0.235 | S | C | . | . | G | 310 helix | trans | -148.6 | 66.6 | 179.4 | -174.9 | 27 | 0 | 0 | 0 | 113.5 | D259 E260 R264 Q265 | D259-N262 CarbonylContact O-C 3.56Å; D259-N262 PolarHBondContact O-N 2.9Å; E260-N262 PolarHBondContact O-N 3.18Å; N262-R264 PolarHBondContact O-N 3.16Å; N262-R264 WeakPolarHBondContact OD1-CB 3.24Å; N262-Q265 PolarHBondContact O-N 2.9Å |
| 263 | M | 95.9 | Very high | 96.4 | Very high | 14 Ų | 14 | 50.5 Ų | 50.5 | 7% | 0.069 | 25% | 0.249 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -66.6 | 21.4 | 174.8 | -58.9 | -55.8 | -66.6 | 0 | 0 | 115.5 | L210 F224 L246 W258 | L210-M263 HydrophobicContact CD2-CE 3.55Å; F224-M263 HydrophobicContact CB-CB 4.31Å; F224-M263 HydrophobicContact CD1-CB 4.13Å; F224-M263 HydrophobicContact CD1-CG 3.85Å; F224-M263 HydrophobicContact CD2-CB 3.56Å; F224-M263 HydrophobicContact CD2-CG 4.02Å; F224-M263 HydrophobicContact CE1-CB 4.34Å; F224-M263 HydrophobicContact CE1-CE 4.46Å; F224-M263 HydrophobicContact CE1-CG 3.72Å; F224-M263 HydrophobicContact CE2-CB 3.84Å; F224-M263 HydrophobicContact CE2-CE 3.74Å; F224-M263 HydrophobicContact CE2-CG 3.93Å; F224-M263 HydrophobicContact CG-CB 3.73Å; F224-M263 HydrophobicContact CG-CG 3.99Å; F224-M263 HydrophobicContact CZ-CB 4.23Å; F224-M263 HydrophobicContact CZ-CE 3.65Å; F224-M263 HydrophobicContact CZ-CG 3.79Å; F224-M263 HydrophobicContact CZ-SD 4.41Å; L246-M263 HydrophobicContact CD2-CE 4.06Å; W258-M263 HydrophobicContact CB-CE 3.86Å; W258-M263 HydrophobicContact CB-SD 3.73Å; W258-M263 HydrophobicContact CD2-CE 3.58Å; W258-M263 HydrophobicContact CD2-SD 4.21Å; W258-M263 HydrophobicContact CE3-CE 3.79Å; W258-M263 HydrophobicContact CE3-SD 4.05Å; W258-M263 HydrophobicContact CG-CE 3.63Å; W258-M263 HydrophobicContact CG-SD 4.13Å |
| 264 | R | 93.8 | Very high | 96.2 | Very high | 204 Ų | 204 | 46.7 Ų | 46.7 | 77% | 0.77 | 23% | 0.231 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -95.6 | -23.2 | 173.3 | -61.4 | 179.6 | 176.6 | -90 | -1.6 | 113.3 | N262 | N262-R264 PolarHBondContact O-N 3.16Å; N262-R264 WeakPolarHBondContact OD1-CB 3.24Å |
| 265 | Q | 93.5 | Very high | 96.2 | Very high | 105 Ų | 105 | 45 Ų | 45 | 49% | 0.491 | 23% | 0.225 | S | C | . | . | S | Bend | trans | -145.6 | 136.6 | 179 | -66.1 | -67.3 | -65.6 | 0 | 0 | 109.1 | R228 N262 | R228-Q265 VanDerWaalsContact NH1-CD 3.34Å; N262-Q265 PolarHBondContact O-N 2.9Å |
| 266 | P | 96.4 | Very high | 96.2 | Very high | 24 Ų | 24 | 45 Ų | 45 | 16% | 0.156 | 22% | 0.224 | C | C | . | . | trans | -71.6 | 158.1 | 172.9 | 31.9 | -35.3 | 0 | 0 | 0 | 111.5 | L256 L257 W258 | L256-P266 HydrophobicContact CB-CB 4.17Å; L256-P266 HydrophobicContact CD2-CB 4.32Å; L256-P266 HydrophobicContact CD2-CG 4.14Å; L257-P266 CarbonylContact O-C 3.53Å; L257-P266 VanDerWaalsContact O-CA 3.22Å; L257-P266 WeakPolarHBondContact O-CA 3.1Å; L257-P266 WeakPolarHBondContact O-CB 3.32Å; W258-P266 HydrophobicContact CD2-CB 4.27Å; W258-P266 HydrophobicContact CE3-CB 4.26Å; W258-P266 HydrophobicContact CH2-CB 4.49Å; W258-P266 HydrophobicContact CZ3-CB 4.38Å | ||
| 267 | L | 96.1 | Very high | 96.1 | Very high | 49 Ų | 49 | 46.7 Ų | 46.7 | 26% | 0.257 | 23% | 0.231 | S | C | . | . | S | Bend | trans | -70.2 | -34.3 | 167.8 | -64.9 | 175.1 | 0 | 0 | 0 | 111.8 | I245 L257 D259 | I245-L267 HydrophobicContact CD1-CD1 3.76Å; L257-L267 HydrophobicContact CB-CB 4.46Å; L257-L267 PolarHBondContact O-N 2.91Å; D259-L267 HydrophobicContact CB-CD1 4.2Å; D259-L267 HydrophobicContact CB-CD2 4.1Å; D259-L267 HydrophobicContact CB-CG 4.21Å |
| 268 | S | 97.2 | Very high | 96.1 | Very high | 4 Ų | 4 | 47.5 Ų | 47.5 | 3% | 0.028 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -153.9 | 150.3 | 174.9 | 63.5 | 0 | 0 | 0 | 0 | 111.3 | L256 L257 A306 G312 | L256-S268 WeakPolarHBondContact CA-O 3.1Å; L257-S268 PolarHBondContact N-O 2.88Å; S268-A306 VanDerWaalsContact CB-CB 3.47Å; S268-A306 VanDerWaalsContact OG-CB 3.3Å; S268-A306 WeakPolarHBondContact OG-CB 3.37Å; S268-G312 WeakPolarHBondContact CB-O 3.44Å |
| 269 | E | 97.2 | Very high | 96.2 | Very high | 84 Ų | 84 | 47.6 Ų | 47.6 | 39% | 0.393 | 23% | 0.234 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.4 | 140.7 | 172.2 | -175.9 | 156.7 | 136.5 | 0 | 0 | 108 | R228 Q254 L256 A313 | R228-E269 IonicContact CZ-OE2 3.82Å; R228-E269 IonicContact NH2-OE2 2.75Å; R228-E269 PolarHBondContact NH2-OE2 2.83Å; Q254-E269 HydrophobicContact CG-CG 4.42Å; L256-E269 HydrophobicContact CD2-CB 3.65Å; L256-E269 HydrophobicContact CD2-CG 3.45Å; L256-E269 VanDerWaalsContact CD2-CG 3.45Å; E269-A313 VanDerWaalsContact O-CB 3.31Å; E269-A313 WeakPolarHBondContact O-CB 3.26Å |
| 270 | S | 97.9 | Very high | 96.3 | Very high | 7 Ų | 7 | 47.4 Ų | 47.4 | 5% | 0.049 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -152.9 | 102.1 | -170.5 | -63.2 | 0 | 0 | 0 | 0 | 111.3 | V255 A313 C314 | V255-S270 PolarHBondContact N-O 3.44Å; V255-S270 PolarHBondContact O-N 2.61Å; S270-A313 WeakPolarHBondContact OG-CA 3.31Å; S270-C314 PolarHBondContact OG-N 3.44Å |
| 271 | A | 97.3 | Very high | 96.4 | Very high | 70 Ų | 70 | 46.5 Ų | 46.5 | 58% | 0.579 | 23% | 0.228 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -73.7 | 129.4 | 178.1 | 0 | 0 | 0 | 0 | 0 | 111 | Q254 | Q254-A271 VanDerWaalsContact OE1-N 3.09Å |
| 272 | L | 96.1 | Very high | 96.6 | Very high | 11 Ų | 11 | 37.4 Ų | 37.4 | 6% | 0.058 | 19% | 0.194 | C | C | . | . | trans | -111.3 | -2.6 | -177.6 | -60.7 | -171.5 | 0 | 0 | 0 | 114.5 | E253 V255 V276 A291 C293 N296 H299 L301 V316 | E253-L272 PolarHBondContact O-N 3.02Å; V255-L272 HydrophobicContact CG2-CD1 3.48Å; V255-L272 VanDerWaalsContact CG2-CD1 3.48Å; V255-L272 HydrophobicContact CG2-CG 4.18Å; L272-V276 HydrophobicContact CD1-CG2 4.1Å; L272-A291 HydrophobicContact CD1-CB 3.68Å; L272-C293 VanDerWaalsContact CD1-SG 3.5Å; L272-N296 PolarHBondContact O-ND2 3.38Å; L272-H299 PolarHBondContact O-NE2 2.95Å; L272-L301 HydrophobicContact CD1-CD1 4.33Å; L272-L301 HydrophobicContact CD2-CD1 4.41Å; L272-L301 HydrophobicContact CD2-CD2 3.8Å; L272-V316 HydrophobicContact CD2-CG2 4.43Å | ||
| 273 | G | 93.1 | Very high | 96.6 | Very high | 37 Ų | 37 | 35.3 Ų | 35.3 | 38% | 0.381 | 19% | 0.185 | S | C | . | . | S | Bend | trans | 79.3 | 15.5 | 175.8 | 0 | 0 | 0 | 0 | 0 | 115.2 | E253 | E253-G273 WeakPolarHBondContact OE2-CA 3.41Š|
| 274 | G | 94.6 | Very high | 96.5 | Very high | 0 Ų | 0 | 39.3 Ų | 39.3 | 0% | 0 | 21% | 0.21 | C | C | . | . | S | Bend | trans | -176.8 | 149.7 | 174.5 | 0 | 0 | 0 | 0 | 0 | 111.4 | E253 V276 | E253-G274 WeakPolarHBondContact CA-O 3.06Å; G274-V276 PolarHBondContact O-N 2.98Å |
| 275 | G | 97.4 | Very high | 96.5 | Very high | 4 Ų | 4 | 32.8 Ų | 32.8 | 4% | 0.041 | 19% | 0.188 | C | C | . | . | trans | -57.1 | 125.2 | -172.5 | 0 | 0 | 0 | 0 | 0 | 113.8 | W277 C293 M294 | G275-W277 PolarHBondContact O-N 2.99Å; G275-C293 CarbonylContact O-C 3.6Å; G275-C293 WeakPolarHBondContact O-CA 3.44Å; G275-M294 WeakPolarHBondContact O-CB 3.1Å; G275-M294 PolarHBondContact O-N 3.05Å | ||
| 276 | V | 98.5 | Very high | 96.6 | Very high | 0 Ų | 0 | 30.9 Ų | 30.9 | 0% | 0 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.7 | 97.2 | -168.6 | -171.3 | 0 | 0 | 0 | 0 | 111.3 | G249 S250 V255 L272 G274 L279 A291 A292 | G249-V276 CarbonylContact C-O 3.37Å; S250-V276 PolarHBondContact O-N 2.99Å; V255-V276 HydrophobicContact CG2-CG1 4Å; V255-V276 HydrophobicContact CG2-CG2 4.09Å; L272-V276 HydrophobicContact CD1-CG2 4.1Å; G274-V276 PolarHBondContact O-N 2.98Å; V276-L279 HydrophobicContact CG1-CD2 3.8Å; V276-L279 HydrophobicContact CG1-CG 3.99Å; V276-A291 HydrophobicContact CG1-CB 4.29Å; V276-A292 CarbonylContact C-O 3.46Å |
| 277 | W | 97.9 | Very high | 96.5 | Very high | 36 Ų | 36 | 31.1 Ų | 31.1 | 14% | 0.136 | 18% | 0.178 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87 | -24.5 | -172 | -157.3 | -102.7 | 0 | 0 | 0 | 114.2 | W189 C234 G275 A292 Y328 | W189-W277 HydrophobicContact CD2-CH2 4.4Å; W189-W277 HydrophobicContact CE3-CH2 4.15Å; W189-W277 HydrophobicContact CE3-CZ2 4.4Å; W189-W277 HydrophobicContact CH2-CH2 4.35Å; W189-W277 HydrophobicContact CZ3-CH2 4.13Å; W189-W277 HydrophobicContact CZ3-CZ2 4.38Å; C234-W277 HydrophobicContact CB-CD2 4.34Å; C234-W277 HydrophobicContact CB-CE3 3.88Å; C234-W277 HydrophobicContact CB-CZ3 4.3Å; C234-W277 VanDerWaalsContact SG-CZ3 3.6Å; G275-W277 PolarHBondContact O-N 2.99Å; W277-A292 PolarHBondContact N-O 3.47Å; W277-Y328 HydrophobicContact CB-CD1 3.95Å; W277-Y328 AromaticContact CD1-CD1 3.45Å; W277-Y328 VanDerWaalsContact CD1-CD1 3.45Å; W277-Y328 AromaticContact CD1-CG 3.76Å; W277-Y328 AromaticContact CD2-CD1 3.75Å; W277-Y328 HydrophobicContact CD2-CD1 3.75Å; W277-Y328 AromaticContact CD2-CE1 3.89Å; W277-Y328 HydrophobicContact CD2-CE1 3.89Å; W277-Y328 AromaticContact CE2-CD1 3.93Å; W277-Y328 HydrophobicContact CE3-CE1 4.26Å; W277-Y328 AromaticContact CG-CD1 3.45Å; W277-Y328 HydrophobicContact CG-CD1 3.45Å; W277-Y328 VanDerWaalsContact CG-CD1 3.45Å; W277-Y328 HydrophobicContact CG-CE1 4.09Å; W277-Y328 HydrophobicContact CG-CG 4.23Å; W277-Y328 AromaticContact NE1-CD1 3.7Å; W277-Y328 AromaticContact NE1-CG 3.9Å |
| 278 | R | 98.4 | Very high | 96.6 | Very high | 17 Ų | 17 | 28.9 Ų | 28.9 | 6% | 0.064 | 17% | 0.166 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -145.6 | 137.3 | -179.6 | -153.3 | 113.4 | -60.1 | -155.6 | 2.7 | 111.7 | D87 A291 A292 Y328 | D87-R278 IonicContact OD1-CZ 3.75Å; D87-R278 IonicContact OD1-NH1 2.77Å; D87-R278 PolarHBondContact OD1-NH1 2.86Å; D87-R278 IonicContact OD1-NH2 3.93Å; R278-A291 CarbonylContact O-C 3.54Å; R278-A291 WeakPolarHBondContact O-CA 3.14Å; R278-A292 HydrophobicContact CB-CB 3.81Å; R278-A292 PolarHBondContact N-O 3.21Å; R278-A292 PolarHBondContact O-N 2.77Å; R278-Y328 VanDerWaalsContact CB-O 3.28Å; R278-Y328 WeakPolarHBondContact CB-O 3.28Å |
| 279 | L | 98.7 | Very high | 96.6 | Very high | 3 Ų | 3 | 28.7 Ų | 28.7 | 2% | 0.016 | 17% | 0.165 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.9 | 130.9 | 171.1 | -71.3 | 177.9 | 0 | 0 | 0 | 109.6 | S235 H237 A247 V255 V276 L289 L290 A291 | S235-L279 PolarHBondContact OG-N 2.73Å; S235-L279 VanDerWaalsContact OG-N 3.09Å; H237-L279 HydrophobicContact CB-CB 4.47Å; H237-L279 PolarHBondContact CD2-O 2.9Å; A247-L279 HydrophobicContact CB-CD1 4.03Å; V255-L279 HydrophobicContact CG1-CD1 4.3Å; V255-L279 HydrophobicContact CG1-CD2 4.48Å; V255-L279 HydrophobicContact CG2-CD2 3.89Å; V276-L279 HydrophobicContact CG1-CD2 3.8Å; V276-L279 HydrophobicContact CG1-CG 3.99Å; L279-L289 HydrophobicContact CB-CD1 4.2Å; L279-L289 HydrophobicContact CD2-CD1 4.28Å; L279-L289 HydrophobicContact CD2-CD2 4.24Å; L279-L289 HydrophobicContact CD2-CG 4.18Å; L279-L290 WeakPolarHBondContact CA-O 3.48Å; L279-A291 HydrophobicContact CD2-CB 3.71Å |
| 280 | K | 98.6 | Very high | 96.7 | Very high | 20 Ų | 20 | 24.8 Ų | 24.8 | 9% | 0.087 | 15% | 0.147 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.9 | 115.6 | 173.6 | -73.5 | -61 | -163.4 | 95.6 | 0 | 110.5 | E23 L290 A330 D331 W332 | E23-K280 WeakPolarHBondContact OE1-CE 3.4Å; E23-K280 IonicContact OE1-NZ 3.47Å; E23-K280 PolarHBondContact OE1-NZ 3.46Å; E23-K280 IonicContact OE2-NZ 3.53Å; E23-K280 PolarHBondContact OE2-NZ 3.24Å; K280-L290 HydrophobicContact CB-CB 4.44Å; K280-L290 PolarHBondContact N-O 2.85Å; K280-L290 PolarHBondContact O-N 2.99Å; K280-A330 WeakPolarHBondContact CG-O 3.37Å; K280-D331 VanDerWaalsContact NZ-CG 3.29Å; K280-D331 IonicContact NZ-OD1 4Å; K280-D331 PolarHBondContact NZ-OD1 2.9Å; K280-D331 IonicContact NZ-OD2 2.84Å; K280-W332 PolarHBondContact O-NE1 2.97Å |
| 281 | W | 98.3 | Very high | 96.8 | Very high | 9 Ų | 9 | 24.4 Ų | 24.4 | 3% | 0.034 | 14% | 0.144 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -64.7 | 141.3 | 168.4 | -71.4 | 102 | 0 | 0 | 0 | 109.9 | H237 P240 I245 A247 L257 L289 C303 L307 | H237-W281 AromaticContact ND1-CD1 3.54Å; H237-W281 PolarHBondContact O-NE1 2.86Å; P240-W281 HydrophobicContact CG-CB 4.36Å; I245-W281 HydrophobicContact CG2-CH2 4.21Å; I245-W281 HydrophobicContact CG2-CZ2 3.78Å; A247-W281 HydrophobicContact CB-CZ2 3.85Å; L257-W281 HydrophobicContact CD1-CH2 4.25Å; L257-W281 HydrophobicContact CD2-CH2 4.02Å; L257-W281 HydrophobicContact CD2-CZ2 3.9Å; W281-L289 HydrophobicContact CD2-CD1 3.96Å; W281-L289 HydrophobicContact CE3-CB 4.06Å; W281-L289 HydrophobicContact CE3-CD1 4.3Å; W281-L289 HydrophobicContact CG-CD1 4.11Å; W281-L289 HydrophobicContact CH2-CD2 4.41Å; W281-L289 HydrophobicContact CZ2-CD2 4.44Å; W281-L289 HydrophobicContact CZ3-CB 4.12Å; W281-C303 HydrophobicContact CH2-CB 4.1Å; W281-C303 HydrophobicContact CZ3-CB 4.02Å; W281-L307 HydrophobicContact CH2-CD1 4.17Å; W281-L307 HydrophobicContact CH2-CD2 4.31Å; W281-L307 HydrophobicContact CZ3-CD1 4.23Å |
| 282 | H | 97.3 | Very high | 96.8 | Very high | 9 Ų | 9 | 21.1 Ų | 21.1 | 4% | 0.042 | 12% | 0.117 | C | C | . | . | trans | -62.5 | 135.6 | 177.2 | -173 | -86.4 | 0 | 0 | 0 | 110.8 | H241 T284 H285 L288 W332 C417 | H241-H282 PolarHBondContact NE2-O 2.68Å; H282-T284 PolarHBondContact CE1-OG1 2.94Å; H282-T284 PolarHBondContact ND1-N 2.88Å; H282-T284 PolarHBondContact ND1-OG1 2.92Å; H282-T284 PolarHBondContact O-N 2.9Å; H282-T284 VanDerWaalsContact O-N 3.08Å; H282-H285 HydrophobicContact CB-CB 4.12Å; H282-H285 AromaticContact CE1-CD2 3.27Å; H282-H285 PolarHBondContact CE1-CD2 2.79Å; H282-H285 AromaticContact CE1-CG 3.97Å; H282-H285 WeakPolarHBondContact ND1-CB 3.43Å; H282-H285 AromaticContact ND1-CD2 3.33Å; H282-H285 PolarHBondContact ND1-CD2 3.26Å; H282-H285 VanDerWaalsContact ND1-CD2 3.33Å; H282-H285 AromaticContact ND1-CG 3.58Å; H282-H285 PolarHBondContact ND1-N 2.59Å; H282-H285 AromaticContact NE2-CD2 3.96Å; H282-L288 HydrophobicContact CB-CB 3.62Å; H282-L288 PolarHBondContact N-O 2.81Å; H282-W332 HydrophobicContact CB-CD2 4.48Å; H282-W332 HydrophobicContact CB-CZ2 4.14Å; H282-W332 AromaticContact CD2-CD2 3.56Å; H282-W332 AromaticContact CD2-CE2 3.82Å; H282-W332 AromaticContact CD2-CE3 3.42Å; H282-W332 VanDerWaalsContact CD2-CE3 3.42Å; H282-W332 AromaticContact CD2-CH2 3.84Å; H282-W332 AromaticContact CD2-CZ2 3.96Å; H282-W332 AromaticContact CD2-CZ3 3.58Å; H282-C417 PolarHBondContact NE2-SG 3.28Å | ||
| 283 | P | 94.6 | Very high | 96.9 | Very high | 35 Ų | 35 | 20.6 Ų | 20.6 | 23% | 0.227 | 11% | 0.114 | C | C | . | . | S | Bend | trans | -59.4 | -27.1 | -172.3 | 20.3 | -34 | 0 | 0 | 0 | 114.9 | H241 W332 Q334 | H241-P283 PolarHBondContact CE1-O 3.22Å; H241-P283 VanDerWaalsContact CE1-O 3.25Å; P283-W332 HydrophobicContact CG-CB 4.22Å; P283-Q334 HydrophobicContact CB-CG 3.72Å; P283-Q334 HydrophobicContact CG-CG 3.92Å |
| 284 | T | 93 | Very high | 96.9 | Very high | 97 Ų | 97 | 19.8 Ų | 19.8 | 60% | 0.595 | 10% | 0.101 | S | C | * | . | S | Bend | trans | -127.6 | -0.4 | -176.6 | 59.5 | 0 | 0 | 0 | 0 | 115.4 | H282 | H282-T284 PolarHBondContact CE1-OG1 2.94Å; H282-T284 PolarHBondContact ND1-N 2.88Å; H282-T284 PolarHBondContact ND1-OG1 2.92Å; H282-T284 PolarHBondContact O-N 2.9Å; H282-T284 VanDerWaalsContact O-N 3.08Å |
| 285 | H | 94.6 | Very high | 96.7 | Very high | 67 Ų | 67 | 25.2 Ų | 25.2 | 31% | 0.31 | 13% | 0.126 | S | C | . | . | trans | -128.1 | 102.5 | -173.5 | -66.3 | -43.7 | 0 | 0 | 0 | 110.8 | H282 H287 L288 V415 | H282-H285 HydrophobicContact CB-CB 4.12Å; H282-H285 AromaticContact CE1-CD2 3.27Å; H282-H285 PolarHBondContact CE1-CD2 2.79Å; H282-H285 AromaticContact CE1-CG 3.97Å; H282-H285 WeakPolarHBondContact ND1-CB 3.43Å; H282-H285 AromaticContact ND1-CD2 3.33Å; H282-H285 PolarHBondContact ND1-CD2 3.26Å; H282-H285 VanDerWaalsContact ND1-CD2 3.33Å; H282-H285 AromaticContact ND1-CG 3.58Å; H282-H285 PolarHBondContact ND1-N 2.59Å; H282-H285 AromaticContact NE2-CD2 3.96Å; H285-H287 PolarHBondContact O-N 3.39Å; H285-L288 HydrophobicContact CB-CB 4.31Å; H285-L288 HydrophobicContact CB-CD1 3.85Å; H285-L288 HydrophobicContact CB-CG 4.07Å; H285-L288 PolarHBondContact O-N 2.77Å; H285-L288 VanDerWaalsContact O-N 3.09Å; H285-V415 WeakPolarHBondContact NE2-CG2 3.39Å | ||
| 286 | E | 95.2 | Very high | 96.5 | Very high | 66 Ų | 66 | 27.9 Ų | 27.9 | 31% | 0.308 | 14% | 0.139 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -66.2 | -1.2 | -169.4 | 63.2 | 157.3 | -165.2 | 0 | 0 | 116.7 | H241 R242 L307 | H241-E286 HydrophobicContact CB-CB 3.42Å; H241-E286 VanDerWaalsContact CB-CB 3.42Å; R242-E286 WeakPolarHBondContact CG-OE2 3.37Å; R242-E286 IonicContact CZ-OE1 3.99Å; R242-E286 IonicContact CZ-OE2 2.7Å; R242-E286 IonicContact NE-OE1 3.61Å; R242-E286 IonicContact NE-OE2 3.53Å; R242-E286 PolarHBondContact NE-OE2 2.99Å; R242-E286 IonicContact NH2-OE1 3.25Å; R242-E286 PolarHBondContact NH2-OE1 2.83Å; R242-E286 IonicContact NH2-OE2 3.69Å; R242-E286 PolarHBondContact NH2-OE2 2.81Å; E286-L307 WeakPolarHBondContact O-CD1 3.43Å |
| 287 | H | 95.6 | Very high | 96.3 | Very high | 29 Ų | 29 | 28.3 Ų | 28.3 | 13% | 0.134 | 14% | 0.141 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -113.6 | -3 | 178 | -61 | -19.3 | 0 | 0 | 0 | 113.6 | R242 H285 H302 C303 Q304 | R242-H287 PolarHBondContact NH2-CE1 3.46Å; H285-H287 PolarHBondContact O-N 3.39Å; H287-H302 CarbonylContact O-C 3.58Å; H287-H302 WeakPolarHBondContact O-CA 3.31Å; H287-C303 PolarHBondContact O-N 2.79Å; H287-Q304 HydrophobicContact CB-CB 4.27Å |
| 288 | L | 96.9 | Very high | 96.3 | Very high | 2 Ų | 2 | 26.7 Ų | 26.7 | 1% | 0.01 | 14% | 0.135 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.3 | 127.5 | -176 | -64.2 | -177.8 | 0 | 0 | 0 | 111.1 | H282 H285 I300 L301 L317 W332 W434 W436 | H282-L288 HydrophobicContact CB-CB 3.62Å; H282-L288 PolarHBondContact N-O 2.81Å; H285-L288 HydrophobicContact CB-CB 4.31Å; H285-L288 HydrophobicContact CB-CD1 3.85Å; H285-L288 HydrophobicContact CB-CG 4.07Å; H285-L288 PolarHBondContact O-N 2.77Å; H285-L288 VanDerWaalsContact O-N 3.09Å; L288-I300 HydrophobicContact CD2-CG2 4.29Å; L288-L301 WeakPolarHBondContact CA-O 3.28Å; L288-L317 HydrophobicContact CD2-CD1 3.48Å; L288-L317 VanDerWaalsContact CD2-CD1 3.48Å; L288-W332 HydrophobicContact CB-CZ2 4.5Å; L288-W434 HydrophobicContact CD1-CH2 3.81Å; L288-W434 HydrophobicContact CD1-CZ3 3.75Å; L288-W434 HydrophobicContact CD2-CH2 4.1Å; L288-W436 HydrophobicContact CD1-CE3 4.37Å; L288-W436 HydrophobicContact CD1-CZ3 4.36Å |
| 289 | L | 98.5 | Very high | 96.2 | Very high | 0 Ų | 0 | 26.1 Ų | 26.1 | 0% | 0 | 13% | 0.133 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.7 | 119.3 | -179.4 | 178.8 | 60.7 | 0 | 0 | 0 | 109.1 | A247 V255 L257 L279 W281 L301 | A247-L289 HydrophobicContact CB-CD1 4.43Å; A247-L289 HydrophobicContact CB-CD2 3.92Å; V255-L289 HydrophobicContact CG1-CD2 4.06Å; L257-L289 HydrophobicContact CD2-CD2 4.01Å; L279-L289 HydrophobicContact CB-CD1 4.2Å; L279-L289 HydrophobicContact CD2-CD1 4.28Å; L279-L289 HydrophobicContact CD2-CD2 4.24Å; L279-L289 HydrophobicContact CD2-CG 4.18Å; W281-L289 HydrophobicContact CD2-CD1 3.96Å; W281-L289 HydrophobicContact CE3-CB 4.06Å; W281-L289 HydrophobicContact CE3-CD1 4.3Å; W281-L289 HydrophobicContact CG-CD1 4.11Å; W281-L289 HydrophobicContact CH2-CD2 4.41Å; W281-L289 HydrophobicContact CZ2-CD2 4.44Å; W281-L289 HydrophobicContact CZ3-CB 4.12Å; L289-L301 HydrophobicContact CB-CB 4.37Å; L289-L301 HydrophobicContact CD2-CD1 4.44Å; L289-L301 PolarHBondContact N-O 2.77Å; L289-L301 VanDerWaalsContact N-O 3.14Å; L289-L301 PolarHBondContact O-N 3.38Å |
| 290 | L | 98.6 | Very high | 96.2 | Very high | 1 Ų | 1 | 26 Ų | 26 | 1% | 0.005 | 13% | 0.133 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.4 | 134.4 | 172.6 | 177.1 | 61.1 | 0 | 0 | 0 | 109 | L279 K280 H299 I300 A330 W332 M419 | L279-L290 WeakPolarHBondContact CA-O 3.48Å; K280-L290 HydrophobicContact CB-CB 4.44Å; K280-L290 PolarHBondContact N-O 2.85Å; K280-L290 PolarHBondContact O-N 2.99Å; L290-H299 WeakPolarHBondContact CA-O 3.47Å; L290-I300 HydrophobicContact CD1-CG1 4.1Å; L290-A330 HydrophobicContact CD2-CB 3.87Å; L290-A330 HydrophobicContact CG-CB 4.13Å; L290-W332 HydrophobicContact CB-CD2 4.47Å; L290-W332 HydrophobicContact CB-CZ2 3.63Å; L290-W332 HydrophobicContact CD2-CD2 4.33Å; L290-W332 HydrophobicContact CD2-CG 4.5Å; L290-M419 HydrophobicContact CD1-SD 4.28Å; L290-M419 HydrophobicContact CD2-CG 4.42Å; L290-M419 HydrophobicContact CD2-SD 4.06Å |
| 291 | A | 98.6 | Very high | 96.1 | Very high | 0 Ų | 0 | 25.1 Ų | 25.1 | 0% | 0 | 13% | 0.129 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.9 | 134.7 | 174.2 | 0 | 0 | 0 | 0 | 0 | 110.5 | L272 V276 R278 L279 F298 H299 | L272-A291 HydrophobicContact CD1-CB 3.68Å; V276-A291 HydrophobicContact CG1-CB 4.29Å; R278-A291 CarbonylContact O-C 3.54Å; R278-A291 WeakPolarHBondContact O-CA 3.14Å; L279-A291 HydrophobicContact CD2-CB 3.71Å; A291-F298 WeakPolarHBondContact O-CA 3.24Å; A291-H299 PolarHBondContact N-O 2.9Å; A291-H299 PolarHBondContact O-N 2.86Å |
| 292 | A | 98.2 | Very high | 96 | Very high | 0 Ų | 0 | 25.7 Ų | 25.7 | 0% | 0 | 13% | 0.132 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.8 | 122.6 | 163.4 | 0 | 0 | 0 | 0 | 0 | 108.7 | V276 W277 R278 F298 Y328 A330 | V276-A292 CarbonylContact C-O 3.46Å; W277-A292 PolarHBondContact N-O 3.47Å; R278-A292 HydrophobicContact CB-CB 3.81Å; R278-A292 PolarHBondContact N-O 3.21Å; R278-A292 PolarHBondContact O-N 2.77Å; A292-F298 HydrophobicContact CB-CD1 3.78Å; A292-F298 HydrophobicContact CB-CE1 3.64Å; A292-Y328 WeakPolarHBondContact CB-O 3.46Å; A292-A330 HydrophobicContact CB-CB 4Å |
| 293 | C | 97.4 | Very high | 96 | Very high | 0 Ų | 0 | 25.3 Ų | 25.3 | 0% | 0 | 13% | 0.13 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.2 | 110 | -172.4 | -58.4 | 0 | 0 | 0 | 0 | 108.9 | L272 G275 H295 N296 D297 | L272-C293 VanDerWaalsContact CD1-SG 3.5Å; G275-C293 CarbonylContact O-C 3.6Å; G275-C293 WeakPolarHBondContact O-CA 3.44Å; C293-H295 PolarHBondContact O-N 3.23Å; C293-N296 HydrophobicContact CB-CB 4.43Å; C293-N296 PolarHBondContact O-N 3.3Å; C293-D297 WeakPolarHBondContact CB-O 3.31Å; C293-D297 PolarHBondContact N-O 3.39Å; C293-D297 PolarHBondContact O-N 2.79Å |
| 294 | M | 93.4 | Very high | 95.9 | Very high | 21 Ų | 21 | 26.8 Ų | 26.8 | 10% | 0.103 | 13% | 0.134 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -46.2 | -29.2 | -167 | 179.8 | 178.1 | 170.1 | 0 | 0 | 115.7 | Y251 G275 L326 Y328 | Y251-M294 HydrophobicContact CD2-SD 4.39Å; Y251-M294 HydrophobicContact CE2-CE 4.23Å; Y251-M294 HydrophobicContact CE2-SD 3.59Å; Y251-M294 VanDerWaalsContact CE2-SD 3.59Å; G275-M294 WeakPolarHBondContact O-CB 3.1Å; G275-M294 PolarHBondContact O-N 3.05Å; M294-L326 HydrophobicContact CE-CD1 4.05Å; M294-L326 HydrophobicContact CG-CB 4.4Å; M294-L326 HydrophobicContact CG-CD1 4.44Å; M294-L326 HydrophobicContact CG-CD2 4.07Å; M294-L326 WeakPolarHBondContact O-CA 3.44Å; M294-L326 VanDerWaalsContact O-CD2 3.22Å; M294-L326 WeakPolarHBondContact O-CD2 3.04Å; M294-Y328 HydrophobicContact CB-CE1 4.26Å; M294-Y328 HydrophobicContact CE-CE1 4.5Å; M294-Y328 HydrophobicContact CG-CE1 3.73Å; M294-Y328 HydrophobicContact SD-CE1 3.93Å |
| 295 | H | 91.1 | Very high | 95.8 | Very high | 113 Ų | 113 | 27.3 Ų | 27.3 | 52% | 0.523 | 13% | 0.13 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -124 | 4.3 | 179.6 | -63.5 | -28.9 | 0 | 0 | 0 | 115.2 | C293 L326 | C293-H295 PolarHBondContact O-N 3.23Å; H295-L326 VanDerWaalsContact CE1-CD2 3.48Å; H295-L326 WeakPolarHBondContact CE1-CD2 3.41Å; H295-L326 WeakPolarHBondContact ND1-CD2 3.44Å |
| 296 | N | 93 | Very high | 95.7 | Very high | 60 Ų | 60 | 24.1 Ų | 24.1 | 32% | 0.321 | 12% | 0.115 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -137.1 | 22.3 | 178.9 | -157.7 | 30.5 | 0 | 0 | 0 | 113.3 | L272 C293 H299 | L272-N296 PolarHBondContact O-ND2 3.38Å; C293-N296 HydrophobicContact CB-CB 4.43Å; C293-N296 PolarHBondContact O-N 3.3Å; N296-H299 PolarHBondContact ND2-NE2 3.48Å; N296-H299 PolarHBondContact O-CE1 3.24Å; N296-H299 PolarHBondContact O-NE2 3.36Å |
| 297 | D | 94.8 | Very high | 95.5 | Very high | 10 Ų | 10 | 21.9 Ų | 21.9 | 5% | 0.053 | 11% | 0.105 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 61.5 | -136.1 | 174.2 | -49.8 | -57.1 | 0 | 0 | 0 | 114.6 | C293 Y320 I321 L322 | C293-D297 WeakPolarHBondContact CB-O 3.31Å; C293-D297 PolarHBondContact N-O 3.39Å; C293-D297 PolarHBondContact O-N 2.79Å; D297-Y320 WeakPolarHBondContact CB-O 3.38Å; D297-I321 HydrophobicContact CB-CD1 4.09Å; D297-I321 VanDerWaalsContact OD2-CA 3.28Å; D297-I321 WeakPolarHBondContact OD2-CA 3.34Å; D297-I321 VanDerWaalsContact OD2-CG2 3.31Å; D297-I321 WeakPolarHBondContact OD2-CG2 3.32Å; D297-L322 PolarHBondContact OD2-N 3Å |
| 298 | F | 96.8 | Very high | 95.3 | Very high | 1 Ų | 1 | 25.6 Ų | 25.6 | 0% | 0.004 | 12% | 0.123 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.7 | 132.1 | -168.4 | -52.5 | -81.8 | 0 | 0 | 0 | 111.6 | A291 A292 S319 Y320 L322 A327 G329 A330 C422 W432 | A291-F298 WeakPolarHBondContact O-CA 3.24Å; A292-F298 HydrophobicContact CB-CD1 3.78Å; A292-F298 HydrophobicContact CB-CE1 3.64Å; F298-S319 CarbonylContact O-C 3.32Å; F298-S319 WeakPolarHBondContact O-CA 3.31Å; F298-Y320 HydrophobicContact CD2-CD1 4.15Å; F298-Y320 PolarHBondContact N-O 3.34Å; F298-Y320 PolarHBondContact O-N 3.06Å; F298-L322 HydrophobicContact CE2-CD1 3.95Å; F298-A327 HydrophobicContact CD1-CB 4.24Å; F298-A327 HydrophobicContact CD2-CB 4.38Å; F298-A327 HydrophobicContact CE1-CB 3.58Å; F298-A327 HydrophobicContact CE2-CB 3.72Å; F298-A327 HydrophobicContact CZ-CB 3.27Å; F298-G329 WeakPolarHBondContact CE1-O 3.36Å; F298-A330 HydrophobicContact CD1-CB 3.67Å; F298-A330 HydrophobicContact CE1-CB 3.78Å; F298-C422 WeakPolarHBondContact CZ-O 3.42Å; F298-W432 HydrophobicContact CB-CZ2 4.38Å |
| 299 | H | 97.6 | Very high | 94.5 | Very high | 6 Ų | 6 | 28.4 Ų | 28.4 | 3% | 0.028 | 15% | 0.152 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126 | 142 | 179.7 | -56.4 | -42.7 | 0 | 0 | 0 | 111.9 | L272 L290 A291 N296 L301 V316 S319 | L272-H299 PolarHBondContact O-NE2 2.95Å; L290-H299 WeakPolarHBondContact CA-O 3.47Å; A291-H299 PolarHBondContact N-O 2.9Å; A291-H299 PolarHBondContact O-N 2.86Å; N296-H299 PolarHBondContact ND2-NE2 3.48Å; N296-H299 PolarHBondContact O-CE1 3.24Å; N296-H299 PolarHBondContact O-NE2 3.36Å; H299-L301 HydrophobicContact CB-CD2 4.23Å; H299-V316 HydrophobicContact CB-CG1 4.34Å; H299-S319 WeakPolarHBondContact ND1-CB 3.01Å; H299-S319 PolarHBondContact ND1-OG 3Å |
| 300 | I | 97.7 | Very high | 93.6 | Very high | 1 Ų | 1 | 32.4 Ų | 32.4 | 1% | 0.005 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108 | 114 | 170.5 | -61 | 169 | 0 | 0 | 0 | 107.9 | L288 L290 L317 A318 W332 M419 W432 W434 | L288-I300 HydrophobicContact CD2-CG2 4.29Å; L290-I300 HydrophobicContact CD1-CG1 4.1Å; I300-L317 PolarHBondContact O-N 3.15Å; I300-A318 PolarHBondContact N-O 3.08Å; I300-W332 HydrophobicContact CD1-CH2 3.88Å; I300-W332 HydrophobicContact CD1-CZ3 4.26Å; I300-W332 HydrophobicContact CG1-CH2 3.95Å; I300-W332 HydrophobicContact CG2-CH2 3.89Å; I300-W332 HydrophobicContact CG2-CZ2 4.36Å; I300-M419 HydrophobicContact CD1-CE 3.92Å; I300-M419 HydrophobicContact CD1-SD 4.13Å; I300-W432 HydrophobicContact CD1-CH2 4.13Å; I300-W432 HydrophobicContact CD1-CZ3 4.28Å; I300-W434 HydrophobicContact CB-CZ2 4.44Å; I300-W434 HydrophobicContact CD1-CB 4.32Å; I300-W434 HydrophobicContact CD1-CD2 3.53Å; I300-W434 HydrophobicContact CD1-CE3 4.02Å; I300-W434 HydrophobicContact CD1-CG 3.7Å; I300-W434 HydrophobicContact CD1-CZ2 4.13Å; I300-W434 HydrophobicContact CG2-CH2 3.83Å; I300-W434 HydrophobicContact CG2-CZ2 3.83Å; I300-W434 HydrophobicContact CG2-CZ3 4.4Å |
| 301 | L | 97.4 | Very high | 92.3 | Very high | 0 Ų | 0 | 34.9 Ų | 34.9 | 0% | 0 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.1 | 146.9 | -179.2 | -49.6 | -175.8 | 0 | 0 | 0 | 111.3 | V255 L272 L288 L289 H299 C314 V316 | V255-L301 HydrophobicContact CB-CD1 4.32Å; V255-L301 HydrophobicContact CG1-CD1 4.3Å; V255-L301 HydrophobicContact CG2-CD1 4.16Å; L272-L301 HydrophobicContact CD1-CD1 4.33Å; L272-L301 HydrophobicContact CD2-CD1 4.41Å; L272-L301 HydrophobicContact CD2-CD2 3.8Å; L288-L301 WeakPolarHBondContact CA-O 3.28Å; L289-L301 HydrophobicContact CB-CB 4.37Å; L289-L301 HydrophobicContact CD2-CD1 4.44Å; L289-L301 PolarHBondContact N-O 2.77Å; L289-L301 VanDerWaalsContact N-O 3.14Å; L289-L301 PolarHBondContact O-N 3.38Å; H299-L301 HydrophobicContact CB-CD2 4.23Å; L301-C314 HydrophobicContact CB-CB 4.12Å; L301-C314 HydrophobicContact CD1-CB 4.26Å; L301-V316 HydrophobicContact CD2-CB 4.42Å; L301-V316 HydrophobicContact CD2-CG2 3.72Å |
| 302 | H | 95.7 | Very high | 91.7 | Very high | 22 Ų | 22 | 36 Ų | 36 | 10% | 0.102 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.9 | 109.5 | 168.3 | -168.3 | -107 | 0 | 0 | 0 | 110.5 | H287 Q304 S315 L317 | H287-H302 CarbonylContact O-C 3.58Å; H287-H302 WeakPolarHBondContact O-CA 3.31Å; H302-Q304 VanDerWaalsContact CE1-CB 3.43Å; H302-Q304 WeakPolarHBondContact CE1-CB 3.45Å; H302-Q304 PolarHBondContact CE1-OE1 3.21Å; H302-Q304 VanDerWaalsContact CE1-OE1 3.3Å; H302-S315 PolarHBondContact N-O 3.45Å; H302-S315 PolarHBondContact O-N 2.84Å; H302-L317 HydrophobicContact CB-CD1 3.94Å; H302-L317 HydrophobicContact CB-CD2 3.77Å; H302-L317 HydrophobicContact CB-CG 3.74Å |
| 303 | C | 96.4 | Very high | 91.4 | Very high | 0 Ų | 0 | 38.9 Ų | 38.9 | 0% | 0 | 24% | 0.241 | C | C | . | . | trans | -93.4 | -2.9 | -168.4 | -59 | 0 | 0 | 0 | 0 | 114.5 | L257 W281 H287 Q305 A306 L307 C314 | L257-C303 HydrophobicContact CD1-CB 3.78Å; W281-C303 HydrophobicContact CH2-CB 4.1Å; W281-C303 HydrophobicContact CZ3-CB 4.02Å; H287-C303 PolarHBondContact O-N 2.79Å; C303-Q305 PolarHBondContact O-N 3.22Å; C303-A306 WeakPolarHBondContact O-CB 3.44Å; C303-A306 PolarHBondContact O-N 3.03Å; C303-A306 VanDerWaalsContact O-N 3.07Å; C303-L307 HydrophobicContact CB-CD1 3.75Å; C303-L307 HydrophobicContact CB-CG 4.04Å; C303-L307 WeakPolarHBondContact O-CG 3.4Å; C303-L307 PolarHBondContact O-N 3.35Å; C303-C314 VanDerWaalsContact SG-SG 3.64Å | ||
| 304 | Q | 94.1 | Very high | 91.3 | Very high | 67 Ų | 67 | 39.4 Ų | 39.4 | 31% | 0.313 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -47.6 | -52.2 | -171.6 | -176.7 | 174.4 | 6.6 | 0 | 0 | 113.6 | H287 H302 A306 L307 E308 | H287-Q304 HydrophobicContact CB-CB 4.27Å; H302-Q304 VanDerWaalsContact CE1-CB 3.43Å; H302-Q304 WeakPolarHBondContact CE1-CB 3.45Å; H302-Q304 PolarHBondContact CE1-OE1 3.21Å; H302-Q304 VanDerWaalsContact CE1-OE1 3.3Å; Q304-A306 VanDerWaalsContact C-N 3.3Å; Q304-A306 PolarHBondContact O-N 2.71Å; Q304-L307 CarbonylContact O-C 3.6Å; Q304-L307 PolarHBondContact O-N 3Å; Q304-L307 VanDerWaalsContact O-N 3.12Å; Q304-E308 VanDerWaalsContact CG-CD 3.44Å; Q304-E308 HydrophobicContact CG-CG 4.22Å; Q304-E308 VanDerWaalsContact CG-OE1 3.29Å; Q304-E308 WeakPolarHBondContact CG-OE1 3.24Å; Q304-E308 PolarHBondContact NE2-OE1 2.94Å; Q304-E308 WeakPolarHBondContact O-CB 3.3Å; Q304-E308 WeakPolarHBondContact O-CG 3.23Å; Q304-E308 PolarHBondContact O-N 2.95Å |
| 305 | Q | 90.6 | Very high | 91.3 | Very high | 107 Ų | 107 | 40 Ų | 40 | 50% | 0.5 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -61.6 | -36.4 | -176 | -64.6 | -177.9 | 4.3 | 0 | 0 | 112.9 | C303 G309 S310 | C303-Q305 PolarHBondContact O-N 3.22Å; Q305-G309 PolarHBondContact O-N 3.15Å; Q305-S310 WeakPolarHBondContact O-CA 3.5Å; Q305-S310 WeakPolarHBondContact O-CB 3.14Å; Q305-S310 PolarHBondContact O-N 2.89Å; Q305-S310 PolarHBondContact O-OG 2.9Å |
| 306 | A | 91.3 | Very high | 91.5 | Very high | 1 Ų | 1 | 37.6 Ų | 37.6 | 1% | 0.008 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -69.8 | -44.6 | 175 | 0 | 0 | 0 | 0 | 0 | 111.5 | L257 S268 C303 Q304 E308 G309 | L257-A306 HydrophobicContact CD1-CB 3.93Å; S268-A306 VanDerWaalsContact CB-CB 3.47Å; S268-A306 VanDerWaalsContact OG-CB 3.3Å; S268-A306 WeakPolarHBondContact OG-CB 3.37Å; C303-A306 WeakPolarHBondContact O-CB 3.44Å; C303-A306 PolarHBondContact O-N 3.03Å; C303-A306 VanDerWaalsContact O-N 3.07Å; Q304-A306 VanDerWaalsContact C-N 3.3Å; Q304-A306 PolarHBondContact O-N 2.71Å; A306-E308 VanDerWaalsContact C-N 3.25Å; A306-E308 PolarHBondContact O-N 2.83Å; A306-G309 PolarHBondContact O-N 3.04Å |
| 307 | L | 91.9 | Very high | 91.5 | Very high | 18 Ų | 18 | 35.2 Ų | 35.2 | 9% | 0.094 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -70.3 | -18.7 | 179.9 | -62.5 | 174.2 | 0 | 0 | 0 | 113.7 | R242 I245 L257 W281 E286 C303 Q304 | R242-L307 PolarHBondContact NH1-O 3.03Å; I245-L307 HydrophobicContact CB-CD2 4.38Å; I245-L307 HydrophobicContact CD1-CD2 3.87Å; I245-L307 HydrophobicContact CG1-CD2 3.99Å; I245-L307 HydrophobicContact CG2-CD2 3.48Å; I245-L307 VanDerWaalsContact CG2-CD2 3.48Å; L257-L307 HydrophobicContact CD1-CD2 4.27Å; L257-L307 HydrophobicContact CD1-CG 4.5Å; W281-L307 HydrophobicContact CH2-CD1 4.17Å; W281-L307 HydrophobicContact CH2-CD2 4.31Å; W281-L307 HydrophobicContact CZ3-CD1 4.23Å; E286-L307 WeakPolarHBondContact O-CD1 3.43Å; C303-L307 HydrophobicContact CB-CD1 3.75Å; C303-L307 HydrophobicContact CB-CG 4.04Å; C303-L307 WeakPolarHBondContact O-CG 3.4Å; C303-L307 PolarHBondContact O-N 3.35Å; Q304-L307 CarbonylContact O-C 3.6Å; Q304-L307 PolarHBondContact O-N 3Å; Q304-L307 VanDerWaalsContact O-N 3.12Å |
| 308 | E | 90.4 | Very high | 91.4 | Very high | 108 Ų | 108 | 35.4 Ų | 35.4 | 51% | 0.505 | 23% | 0.234 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -91.7 | 0.5 | 171.6 | -70.9 | 173.6 | 169.1 | 0 | 0 | 112.9 | Q304 A306 | Q304-E308 VanDerWaalsContact CG-CD 3.44Å; Q304-E308 HydrophobicContact CG-CG 4.22Å; Q304-E308 VanDerWaalsContact CG-OE1 3.29Å; Q304-E308 WeakPolarHBondContact CG-OE1 3.24Å; Q304-E308 PolarHBondContact NE2-OE1 2.94Å; Q304-E308 WeakPolarHBondContact O-CB 3.3Å; Q304-E308 WeakPolarHBondContact O-CG 3.23Å; Q304-E308 PolarHBondContact O-N 2.95Å; A306-E308 VanDerWaalsContact C-N 3.25Å; A306-E308 PolarHBondContact O-N 2.83Å |
| 309 | G | 81.3 | Confident | 91.3 | Very high | 60 Ų | 60 | 37.7 Ų | 37.7 | 62% | 0.619 | 25% | 0.25 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 79.2 | 16.5 | 177.3 | 0 | 0 | 0 | 0 | 0 | 115.1 | Q305 A306 G311 | Q305-G309 PolarHBondContact O-N 3.15Å; A306-G309 PolarHBondContact O-N 3.04Å; G309-G311 PolarHBondContact O-N 2.84Å |
| 310 | S | 78.3 | Confident | 90.9 | Very high | 84 Ų | 84 | 38.6 Ų | 38.6 | 59% | 0.587 | 25% | 0.253 | S | S | * | . | trans | -73.5 | -8.1 | 176.3 | -56.2 | 0 | 0 | 0 | 0 | 113.5 | Q305 G312 | Q305-S310 WeakPolarHBondContact O-CA 3.5Å; Q305-S310 WeakPolarHBondContact O-CB 3.14Å; Q305-S310 PolarHBondContact O-N 2.89Å; Q305-S310 PolarHBondContact O-OG 2.9Å; S310-G312 PolarHBondContact O-N 3.29Å; S310-G312 VanDerWaalsContact O-N 3.15Å | ||
| 311 | G | 71.6 | Confident | 90.3 | Very high | 54 Ų | 54 | 41.7 Ų | 41.7 | 56% | 0.557 | 27% | 0.269 | S | S | * | . | trans | 69.9 | 6.1 | 174.6 | 0 | 0 | 0 | 0 | 0 | 116 | G309 | G309-G311 PolarHBondContact O-N 2.84Š| ||
| 312 | G | 85.9 | Confident | 89.3 | Confident | 23 Ų | 23 | 43 Ų | 43 | 24% | 0.237 | 28% | 0.276 | C | S | . | . | P | Polyproline II helix | trans | -78.6 | 154.8 | 177.3 | 0 | 0 | 0 | 0 | 0 | 113.1 | S268 S310 | S268-G312 WeakPolarHBondContact CB-O 3.44Å; S310-G312 PolarHBondContact O-N 3.29Å; S310-G312 VanDerWaalsContact O-N 3.15Å |
| 313 | A | 92.3 | Very high | 87.9 | Confident | 60 Ų | 60 | 49.2 Ų | 49.2 | 50% | 0.496 | 31% | 0.305 | S | S | . | . | P | Polyproline II helix | trans | -62 | 149.6 | 168.2 | 0 | 0 | 0 | 0 | 0 | 111.2 | E269 S270 S315 | E269-A313 VanDerWaalsContact O-CB 3.31Å; E269-A313 WeakPolarHBondContact O-CB 3.26Å; S270-A313 WeakPolarHBondContact OG-CA 3.31Å; A313-S315 PolarHBondContact O-N 3.03Å |
| 314 | C | 94.7 | Very high | 86.8 | Confident | 11 Ų | 11 | 56 Ų | 56 | 7% | 0.074 | 34% | 0.341 | C | S | . | . | P | Polyproline II helix | trans | -71.1 | 127.8 | 176.7 | -63.9 | 0 | 0 | 0 | 0 | 110 | L257 S270 L301 C303 | L257-C314 VanDerWaalsContact CD1-SG 3.53Å; S270-C314 PolarHBondContact OG-N 3.44Å; L301-C314 HydrophobicContact CB-CB 4.12Å; L301-C314 HydrophobicContact CD1-CB 4.26Å; C303-C314 VanDerWaalsContact SG-SG 3.64Å |
| 315 | S | 93.9 | Very high | 86.5 | Confident | 34 Ų | 34 | 53.4 Ų | 53.4 | 24% | 0.238 | 33% | 0.33 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82 | 128.1 | -177 | 56.9 | 0 | 0 | 0 | 0 | 111.6 | W3 H302 A313 L317 | W3-S315 VanDerWaalsContact CH2-OG 3.28Å; W3-S315 WeakPolarHBondContact CH2-OG 3.06Å; H302-S315 PolarHBondContact N-O 3.45Å; H302-S315 PolarHBondContact O-N 2.84Å; A313-S315 PolarHBondContact O-N 3.03Å; S315-L317 PolarHBondContact O-N 2.96Å |
| 316 | V | 95.1 | Very high | 86.6 | Confident | 62 Ų | 62 | 48.7 Ų | 48.7 | 38% | 0.376 | 31% | 0.309 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -65.3 | 121.5 | 171 | -174.5 | 0 | 0 | 0 | 0 | 109.8 | L272 H299 L301 A318 | L272-V316 HydrophobicContact CD2-CG2 4.43Å; H299-V316 HydrophobicContact CB-CG1 4.34Å; L301-V316 HydrophobicContact CD2-CB 4.42Å; L301-V316 HydrophobicContact CD2-CG2 3.72Å; V316-A318 WeakPolarHBondContact CG1-O 3.39Å |
| 317 | L | 93.6 | Very high | 86.7 | Confident | 11 Ų | 11 | 48.7 Ų | 48.7 | 6% | 0.058 | 31% | 0.308 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.3 | -32.5 | 174.5 | -64 | -175.7 | 0 | 0 | 0 | 112.8 | W3 S5 L288 I300 H302 S315 W434 W436 | W3-L317 HydrophobicContact CD2-CD2 3.51Å; W3-L317 HydrophobicContact CE3-CD2 3.48Å; W3-L317 VanDerWaalsContact CE3-CD2 3.48Å; W3-L317 HydrophobicContact CG-CD2 4.06Å; W3-L317 HydrophobicContact CH2-CD2 4.12Å; W3-L317 HydrophobicContact CZ2-CD2 4.15Å; W3-L317 HydrophobicContact CZ3-CD2 3.79Å; S5-L317 PolarHBondContact OG-O 3.43Å; L288-L317 HydrophobicContact CD2-CD1 3.48Å; L288-L317 VanDerWaalsContact CD2-CD1 3.48Å; I300-L317 PolarHBondContact O-N 3.15Å; H302-L317 HydrophobicContact CB-CD1 3.94Å; H302-L317 HydrophobicContact CB-CD2 3.77Å; H302-L317 HydrophobicContact CB-CG 3.74Å; S315-L317 PolarHBondContact O-N 2.96Å; L317-W434 HydrophobicContact CB-CZ2 4.12Å; L317-W434 HydrophobicContact CD1-CH2 4Å; L317-W434 HydrophobicContact CD1-CZ2 3.94Å; L317-W436 HydrophobicContact CD1-CD2 4.3Å; L317-W436 HydrophobicContact CD1-CZ2 4.14Å |
| 318 | A | 93.3 | Very high | 86.9 | Confident | 13 Ų | 13 | 49.2 Ų | 49.2 | 11% | 0.107 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -160.3 | 152.1 | -179.7 | 0 | 0 | 0 | 0 | 0 | 110.4 | I300 V316 W434 | I300-A318 PolarHBondContact N-O 3.08Å; V316-A318 WeakPolarHBondContact CG1-O 3.39Å; A318-W434 VanDerWaalsContact CB-NE1 3.3Å |
| 319 | S | 93.1 | Very high | 87.2 | Confident | 50 Ų | 50 | 44 Ų | 44 | 35% | 0.35 | 29% | 0.285 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.5 | 143.7 | 166.4 | -50.6 | 0 | 0 | 0 | 0 | 109.4 | F298 H299 | F298-S319 CarbonylContact O-C 3.32Å; F298-S319 WeakPolarHBondContact O-CA 3.31Å; H299-S319 WeakPolarHBondContact ND1-CB 3.01Å; H299-S319 PolarHBondContact ND1-OG 3Å |
| 320 | Y | 89.3 | Confident | 88 | Confident | 25 Ų | 25 | 41.3 Ų | 41.3 | 10% | 0.098 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.5 | 100 | 169.3 | -176.7 | -108.6 | 0 | 0 | 0 | 106.9 | T7 D297 F298 L322 H430 W432 | T7-Y320 HydrophobicContact CG2-CD2 4.5Å; D297-Y320 WeakPolarHBondContact CB-O 3.38Å; F298-Y320 HydrophobicContact CD2-CD1 4.15Å; F298-Y320 PolarHBondContact N-O 3.34Å; F298-Y320 PolarHBondContact O-N 3.06Å; Y320-L322 HydrophobicContact CD1-CD1 4.42Å; Y320-L322 HydrophobicContact CD1-CD2 4.34Å; Y320-L322 HydrophobicContact CD1-CG 4.21Å; Y320-L322 HydrophobicContact CE1-CD1 3.97Å; Y320-L322 HydrophobicContact CE1-CD2 3.74Å; Y320-L322 HydrophobicContact CE1-CG 3.96Å; Y320-H430 HydrophobicContact CE1-CB 4.17Å; Y320-H430 AromaticContact CE1-ND1 3.84Å; Y320-H430 AromaticContact CZ-ND1 3.92Å; Y320-H430 PolarHBondContact OH-ND1 2.7Å; Y320-H430 VanDerWaalsContact OH-ND1 3.1Å; Y320-W432 HydrophobicContact CD1-CD2 4.08Å; Y320-W432 AromaticContact CD1-CE2 3.76Å; Y320-W432 HydrophobicContact CD1-CG 4.33Å; Y320-W432 HydrophobicContact CD1-CZ2 4.11Å; Y320-W432 AromaticContact CD1-NE1 3.8Å; Y320-W432 HydrophobicContact CD2-CD2 4.21Å; Y320-W432 HydrophobicContact CD2-CE3 4.19Å; Y320-W432 AromaticContact CE1-CD1 3.84Å; Y320-W432 HydrophobicContact CE1-CD2 4.34Å; Y320-W432 HydrophobicContact CE1-CG 4.1Å; Y320-W432 AromaticContact CE1-NE1 3.91Å; Y320-W432 HydrophobicContact CE2-CB 4.33Å; Y320-W432 HydrophobicContact CE2-CD2 4.47Å; Y320-W432 HydrophobicContact CE2-CG 4.33Å; Y320-W432 HydrophobicContact CG-CD2 4.01Å; Y320-W432 AromaticContact CG-CE2 3.98Å; Y320-W432 HydrophobicContact CG-CE3 4.16Å; Y320-W432 HydrophobicContact CG-CH2 4.29Å; Y320-W432 HydrophobicContact CG-CZ2 4.13Å; Y320-W432 HydrophobicContact CG-CZ3 4.3Å |
| 321 | I | 86.9 | Confident | 89 | Confident | 66 Ų | 66 | 37.8 Ų | 37.8 | 34% | 0.338 | 23% | 0.231 | S | C | . | . | trans | -97.8 | 128.8 | -167.6 | -59.5 | -57 | 0 | 0 | 0 | 109.9 | D297 H323 | D297-I321 HydrophobicContact CB-CD1 4.09Å; D297-I321 VanDerWaalsContact OD2-CA 3.28Å; D297-I321 WeakPolarHBondContact OD2-CA 3.34Å; D297-I321 VanDerWaalsContact OD2-CG2 3.31Å; D297-I321 WeakPolarHBondContact OD2-CG2 3.32Å; I321-H323 WeakPolarHBondContact CG2-CE1 3.18Å | ||
| 322 | L | 76.5 | Confident | 90.2 | Very high | 27 Ų | 27 | 35.6 Ų | 35.6 | 14% | 0.141 | 21% | 0.206 | C | C | . | . | trans | -130.5 | 68.2 | -174.1 | -64.2 | -172.7 | 0 | 0 | 0 | 109.8 | D297 F298 Y320 N324 H430 | D297-L322 PolarHBondContact OD2-N 3Å; F298-L322 HydrophobicContact CE2-CD1 3.95Å; Y320-L322 HydrophobicContact CD1-CD1 4.42Å; Y320-L322 HydrophobicContact CD1-CD2 4.34Å; Y320-L322 HydrophobicContact CD1-CG 4.21Å; Y320-L322 HydrophobicContact CE1-CD1 3.97Å; Y320-L322 HydrophobicContact CE1-CD2 3.74Å; Y320-L322 HydrophobicContact CE1-CG 3.96Å; L322-N324 PolarHBondContact O-N 2.69Å; L322-H430 VanDerWaalsContact CD2-CE1 3.45Å; L322-H430 WeakPolarHBondContact CD2-CE1 3.44Å | ||
| 323 | H | 64.3 | Low | 90.7 | Very high | 153 Ų | 153 | 34.8 Ų | 34.8 | 71% | 0.708 | 20% | 0.197 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -47.2 | 135.9 | -177.4 | -60.3 | -51.4 | 0 | 0 | 0 | 113.4 | I321 | I321-H323 WeakPolarHBondContact CG2-CE1 3.18Š|
| 324 | N | 74.1 | Confident | 90.8 | Very high | 143 Ų | 143 | 35.9 Ų | 35.9 | 77% | 0.765 | 19% | 0.192 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 83.6 | 18.6 | 174.8 | -37.2 | -71.2 | 0 | 0 | 0 | 117.2 | L322 | L322-N324 PolarHBondContact O-N 2.69Š|
| 325 | S | 88.3 | Confident | 90.6 | Very high | 12 Ų | 12 | 37 Ų | 37 | 8% | 0.084 | 20% | 0.197 | C | C | . | . | S | Bend | trans | -132.4 | -173.9 | 171.7 | -157.3 | 0 | 0 | 0 | 0 | 112.7 | S423 F424 Y425 D426 | S325-S423 WeakPolarHBondContact CB-OG 3.37Å; S325-S423 PolarHBondContact OG-OG 3.17Å; S325-F424 PolarHBondContact OG-N 2.79Å; S325-Y425 PolarHBondContact OG-N 2.94Å; S325-D426 VanDerWaalsContact CB-OD1 3.28Å; S325-D426 WeakPolarHBondContact CB-OD1 2.99Å; S325-D426 PolarHBondContact OG-OD1 3.04Å |
| 326 | L | 92.8 | Very high | 90.2 | Very high | 8 Ų | 8 | 39.4 Ų | 39.4 | 4% | 0.042 | 21% | 0.213 | C | C | . | . | trans | -112.2 | 139.5 | 170.7 | -49.9 | 178.4 | 0 | 0 | 0 | 110.7 | M294 H295 Y328 F424 Y425 | M294-L326 HydrophobicContact CE-CD1 4.05Å; M294-L326 HydrophobicContact CG-CB 4.4Å; M294-L326 HydrophobicContact CG-CD1 4.44Å; M294-L326 HydrophobicContact CG-CD2 4.07Å; M294-L326 WeakPolarHBondContact O-CA 3.44Å; M294-L326 VanDerWaalsContact O-CD2 3.22Å; M294-L326 WeakPolarHBondContact O-CD2 3.04Å; H295-L326 VanDerWaalsContact CE1-CD2 3.48Å; H295-L326 WeakPolarHBondContact CE1-CD2 3.41Å; H295-L326 WeakPolarHBondContact ND1-CD2 3.44Å; L326-Y328 HydrophobicContact CB-CE1 4.48Å; L326-Y328 HydrophobicContact CB-CE2 4.43Å; L326-Y328 HydrophobicContact CD1-CE2 4.19Å; L326-Y328 WeakPolarHBondContact CD1-OH 3.44Å; L326-F424 HydrophobicContact CB-CB 3.9Å; L326-F424 HydrophobicContact CD1-CD1 4.3Å; L326-F424 WeakPolarHBondContact O-CB 3.44Å; L326-F424 PolarHBondContact O-N 3.24Å; L326-Y425 HydrophobicContact CD1-CD2 4.15Å; L326-Y425 HydrophobicContact CD1-CE2 3.46Å; L326-Y425 VanDerWaalsContact CD1-CE2 3.46Å; L326-Y425 HydrophobicContact CD2-CD2 4.36Å; L326-Y425 HydrophobicContact CD2-CE2 3.92Å; L326-Y425 HydrophobicContact CG-CD2 3.73Å; L326-Y425 HydrophobicContact CG-CE2 3.45Å; L326-Y425 VanDerWaalsContact CG-CE2 3.45Å | ||
| 327 | A | 94 | Very high | 89.5 | Confident | 0 Ų | 0 | 37.3 Ų | 37.3 | 0% | 0 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.7 | 103.8 | 179 | 0 | 0 | 0 | 0 | 0 | 111.7 | F298 | F298-A327 HydrophobicContact CD1-CB 4.24Å; F298-A327 HydrophobicContact CD2-CB 4.38Å; F298-A327 HydrophobicContact CE1-CB 3.58Å; F298-A327 HydrophobicContact CE2-CB 3.72Å; F298-A327 HydrophobicContact CZ-CB 3.27Å |
| 328 | Y | 95.3 | Very high | 87.9 | Confident | 29 Ų | 29 | 44 Ų | 44 | 11% | 0.114 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.9 | -60.2 | 178.8 | -66.9 | -34.9 | 0 | 0 | 0 | 112.6 | D20 W277 R278 A292 M294 L326 F424 | D20-Y328 CarbonylContact O-C 3.58Å; D20-Y328 WeakPolarHBondContact O-CB 3.41Å; D20-Y328 WeakPolarHBondContact OD1-CD2 3.38Å; W277-Y328 HydrophobicContact CB-CD1 3.95Å; W277-Y328 AromaticContact CD1-CD1 3.45Å; W277-Y328 VanDerWaalsContact CD1-CD1 3.45Å; W277-Y328 AromaticContact CD1-CG 3.76Å; W277-Y328 AromaticContact CD2-CD1 3.75Å; W277-Y328 HydrophobicContact CD2-CD1 3.75Å; W277-Y328 AromaticContact CD2-CE1 3.89Å; W277-Y328 HydrophobicContact CD2-CE1 3.89Å; W277-Y328 AromaticContact CE2-CD1 3.93Å; W277-Y328 HydrophobicContact CE3-CE1 4.26Å; W277-Y328 AromaticContact CG-CD1 3.45Å; W277-Y328 HydrophobicContact CG-CD1 3.45Å; W277-Y328 VanDerWaalsContact CG-CD1 3.45Å; W277-Y328 HydrophobicContact CG-CE1 4.09Å; W277-Y328 HydrophobicContact CG-CG 4.23Å; W277-Y328 AromaticContact NE1-CD1 3.7Å; W277-Y328 AromaticContact NE1-CG 3.9Å; R278-Y328 VanDerWaalsContact CB-O 3.28Å; R278-Y328 WeakPolarHBondContact CB-O 3.28Å; A292-Y328 WeakPolarHBondContact CB-O 3.46Å; M294-Y328 HydrophobicContact CB-CE1 4.26Å; M294-Y328 HydrophobicContact CE-CE1 4.5Å; M294-Y328 HydrophobicContact CG-CE1 3.73Å; M294-Y328 HydrophobicContact SD-CE1 3.93Å; L326-Y328 HydrophobicContact CB-CE1 4.48Å; L326-Y328 HydrophobicContact CB-CE2 4.43Å; L326-Y328 HydrophobicContact CD1-CE2 4.19Å; L326-Y328 WeakPolarHBondContact CD1-OH 3.44Å; Y328-F424 HydrophobicContact CD2-CB 4.29Å; Y328-F424 AromaticContact CD2-CD2 3.57Å; Y328-F424 HydrophobicContact CD2-CD2 3.57Å; Y328-F424 HydrophobicContact CD2-CE2 4.1Å; Y328-F424 HydrophobicContact CD2-CG 4.08Å; Y328-F424 HydrophobicContact CE2-CB 4.4Å; Y328-F424 HydrophobicContact CE2-CD1 4.42Å; Y328-F424 AromaticContact CE2-CD2 3.62Å; Y328-F424 HydrophobicContact CE2-CD2 3.62Å; Y328-F424 AromaticContact CE2-CE2 3.87Å; Y328-F424 HydrophobicContact CE2-CE2 3.87Å; Y328-F424 AromaticContact CE2-CG 3.91Å; Y328-F424 HydrophobicContact CE2-CG 3.91Å; Y328-F424 HydrophobicContact CE2-CZ 4.39Å |
| 329 | G | 96.8 | Very high | 85.7 | Confident | 0 Ų | 0 | 48.5 Ų | 48.5 | 0% | 0 | 25% | 0.25 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.9 | 133.2 | -178.2 | 0 | 0 | 0 | 0 | 0 | 112.5 | D20 F298 S421 C422 | D20-G329 WeakPolarHBondContact O-CA 3.37Å; D20-G329 PolarHBondContact O-N 3.03Å; F298-G329 WeakPolarHBondContact CE1-O 3.36Å; G329-S421 CarbonylContact O-C 3.58Å; G329-S421 VanDerWaalsContact O-CA 3.26Å; G329-S421 WeakPolarHBondContact O-CA 3.35Å; G329-C422 PolarHBondContact O-N 3.35Å |
| 330 | A | 98.2 | Very high | 83 | Confident | 2 Ų | 2 | 51.3 Ų | 51.3 | 2% | 0.017 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -157.1 | 136.6 | 170.8 | 0 | 0 | 0 | 0 | 0 | 111.1 | K280 L290 A292 F298 A420 | K280-A330 WeakPolarHBondContact CG-O 3.37Å; L290-A330 HydrophobicContact CD2-CB 3.87Å; L290-A330 HydrophobicContact CG-CB 4.13Å; A292-A330 HydrophobicContact CB-CB 4Å; F298-A330 HydrophobicContact CD1-CB 3.67Å; F298-A330 HydrophobicContact CE1-CB 3.78Å; A330-A420 WeakPolarHBondContact CA-O 3.49Å |
| 331 | D | 98.6 | Very high | 80.4 | Confident | 11 Ų | 11 | 55.5 Ų | 55.5 | 6% | 0.059 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -153.6 | 152.9 | 179.7 | -167.7 | 38.8 | 0 | 0 | 0 | 114.9 | V22 E23 W24 K280 M419 A420 | V22-D331 WeakPolarHBondContact O-CB 3.29Å; E23-D331 WeakPolarHBondContact CA-OD2 3.42Å; W24-D331 PolarHBondContact N-OD2 2.9Å; K280-D331 VanDerWaalsContact NZ-CG 3.29Å; K280-D331 IonicContact NZ-OD1 4Å; K280-D331 PolarHBondContact NZ-OD1 2.9Å; K280-D331 IonicContact NZ-OD2 2.84Å; D331-M419 WeakPolarHBondContact O-CA 3.38Å; D331-A420 PolarHBondContact N-O 2.98Å; D331-A420 PolarHBondContact O-N 3.41Å; D331-A420 VanDerWaalsContact O-N 3.09Å |
| 332 | W | 97.8 | Very high | 77.8 | Confident | 7 Ų | 7 | 58.3 Ų | 58.3 | 3% | 0.027 | 32% | 0.32 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90 | 129.7 | 176.3 | -56.2 | 101.8 | 0 | 0 | 0 | 111.1 | W24 K280 H282 P283 L288 L290 I300 C417 M419 W434 | W24-W332 VanDerWaalsContact CD1-C 3.46Å; K280-W332 PolarHBondContact O-NE1 2.97Å; H282-W332 HydrophobicContact CB-CD2 4.48Å; H282-W332 HydrophobicContact CB-CZ2 4.14Å; H282-W332 AromaticContact CD2-CD2 3.56Å; H282-W332 AromaticContact CD2-CE2 3.82Å; H282-W332 AromaticContact CD2-CE3 3.42Å; H282-W332 VanDerWaalsContact CD2-CE3 3.42Å; H282-W332 AromaticContact CD2-CH2 3.84Å; H282-W332 AromaticContact CD2-CZ2 3.96Å; H282-W332 AromaticContact CD2-CZ3 3.58Å; P283-W332 HydrophobicContact CG-CB 4.22Å; L288-W332 HydrophobicContact CB-CZ2 4.5Å; L290-W332 HydrophobicContact CB-CD2 4.47Å; L290-W332 HydrophobicContact CB-CZ2 3.63Å; L290-W332 HydrophobicContact CD2-CD2 4.33Å; L290-W332 HydrophobicContact CD2-CG 4.5Å; I300-W332 HydrophobicContact CD1-CH2 3.88Å; I300-W332 HydrophobicContact CD1-CZ3 4.26Å; I300-W332 HydrophobicContact CG1-CH2 3.95Å; I300-W332 HydrophobicContact CG2-CH2 3.89Å; I300-W332 HydrophobicContact CG2-CZ2 4.36Å; W332-C417 HydrophobicContact CE3-CB 3.97Å; W332-C417 HydrophobicContact CZ3-CB 3.84Å; W332-M419 HydrophobicContact CD2-CG 4.18Å; W332-M419 HydrophobicContact CD2-SD 4.18Å; W332-M419 HydrophobicContact CE3-CE 4.13Å; W332-M419 HydrophobicContact CE3-CG 3.53Å; W332-M419 HydrophobicContact CE3-SD 3.43Å; W332-M419 HydrophobicContact CH2-SD 4.05Å; W332-M419 HydrophobicContact CZ3-CE 3.72Å; W332-M419 HydrophobicContact CZ3-CG 4.07Å; W332-M419 HydrophobicContact CZ3-SD 3.36Å; W332-M419 WeakPolarHBondContact CZ3-SD 3.29Å; W332-W434 HydrophobicContact CH2-CE3 4.44Å; W332-W434 HydrophobicContact CH2-CZ3 4.34Å; W332-W434 HydrophobicContact CZ3-CE3 4.21Å; W332-W434 HydrophobicContact CZ3-CZ3 4.44Å |
| 333 | S | 96.4 | Very high | 75.6 | Confident | 6 Ų | 6 | 63 Ų | 63 | 4% | 0.042 | 35% | 0.353 | C | S | . | . | trans | -74.9 | 146.6 | 162.8 | -171.5 | 0 | 0 | 0 | 0 | 110.3 | W24 H31 L335 L418 | W24-S333 VanDerWaalsContact CD1-N 3.34Å; H31-S333 PolarHBondContact O-OG 3.31Å; S333-L335 VanDerWaalsContact C-N 3.32Å; S333-L335 VanDerWaalsContact OG-CB 3.26Å; S333-L335 WeakPolarHBondContact OG-CB 3.43Å; S333-L335 PolarHBondContact OG-N 3.07Å; S333-L335 VanDerWaalsContact OG-N 3.12Å; S333-L418 WeakPolarHBondContact CB-O 3.36Å; S333-L418 PolarHBondContact N-O 3.21Å | ||
| 334 | Q | 94.2 | Very high | 74.2 | Confident | 83 Ų | 83 | 60.6 Ų | 60.6 | 39% | 0.388 | 35% | 0.354 | S | S | . | . | trans | -87.6 | -3.2 | 168.8 | -58.7 | -169.2 | 19.5 | 0 | 0 | 112.6 | P26 H31 P283 S336 | P26-Q334 PolarHBondContact O-OE1 3.13Å; H31-Q334 WeakPolarHBondContact CE1-CB 3.33Å; H31-Q334 PolarHBondContact CE1-OE1 3.47Å; H31-Q334 VanDerWaalsContact CE1-OE1 3.31Å; H31-Q334 WeakPolarHBondContact NE2-CB 2.99Å; H31-Q334 PolarHBondContact NE2-OE1 3.18Å; P283-Q334 HydrophobicContact CB-CG 3.72Å; P283-Q334 HydrophobicContact CG-CG 3.92Å; Q334-S336 PolarHBondContact O-N 3.4Å | ||
| 335 | L | 91.3 | Very high | 72.3 | Confident | 36 Ų | 36 | 59.2 Ų | 59.2 | 19% | 0.188 | 35% | 0.352 | C | S | . | . | trans | -65.9 | 120.1 | -178.4 | -173.9 | 69.5 | 0 | 0 | 0 | 111.7 | H31 N32 F64 S333 L337 L418 | H31-L335 HydrophobicContact CB-CB 4.28Å; H31-L335 HydrophobicContact CB-CD1 4.38Å; N32-L335 HydrophobicContact CB-CD2 4.4Å; F64-L335 HydrophobicContact CD1-CD2 3.54Å; F64-L335 HydrophobicContact CE1-CD2 3.85Å; S333-L335 VanDerWaalsContact C-N 3.32Å; S333-L335 VanDerWaalsContact OG-CB 3.26Å; S333-L335 WeakPolarHBondContact OG-CB 3.43Å; S333-L335 PolarHBondContact OG-N 3.07Å; S333-L335 VanDerWaalsContact OG-N 3.12Å; L335-L337 PolarHBondContact O-N 2.89Å; L335-L337 VanDerWaalsContact O-N 3.17Å; L335-L418 HydrophobicContact CD2-CD2 4.06Å | ||
| 336 | S | 83.8 | Confident | 69.6 | Low | 83 Ų | 83 | 67 Ų | 67 | 58% | 0.58 | 39% | 0.392 | S | S | * | . | trans | -67.3 | 110.1 | 175.7 | -173.9 | 0 | 0 | 0 | 0 | 111.5 | Q334 E338 | Q334-S336 PolarHBondContact O-N 3.4Å; S336-E338 VanDerWaalsContact C-N 3.26Å; S336-E338 PolarHBondContact O-N 2.74Å | ||
| 337 | L | 80.4 | Confident | 66.6 | Low | 19 Ų | 19 | 75.7 Ų | 75.7 | 10% | 0.099 | 43% | 0.433 | C | S | . | . | trans | -79.2 | 71.7 | 173.4 | -67.9 | -173.4 | 0 | 0 | 0 | 111.5 | F64 Q66 L335 E339 L418 R433 | F64-L337 HydrophobicContact CE1-CD2 4.38Å; Q66-L337 HydrophobicContact CG-CD2 4.49Å; L335-L337 PolarHBondContact O-N 2.89Å; L335-L337 VanDerWaalsContact O-N 3.17Å; L337-E339 PolarHBondContact O-N 2.79Å; L337-L418 HydrophobicContact CD1-CB 3.92Å; L337-L418 HydrophobicContact CD2-CB 4.27Å; L337-L418 HydrophobicContact CG-CB 4.09Å; L337-R433 HydrophobicContact CD1-CB 4.36Å; L337-R433 HydrophobicContact CD1-CG 3.83Å | ||
| 338 | E | 61.7 | Low | 63.4 | Low | 150 Ų | 150 | 82.2 Ų | 82.2 | 70% | 0.701 | 47% | 0.473 | S | S | * | . | trans | -60 | 122.7 | 169 | -73.5 | -168.3 | -178.2 | 0 | 0 | 111.9 | Q66 S336 | Q66-E338 PolarHBondContact NE2-O 3.23Å; S336-E338 VanDerWaalsContact C-N 3.26Å; S336-E338 PolarHBondContact O-N 2.74Å | ||
| 339 | E | 46.1 | Very low | 60.2 | Low | 109 Ų | 109 | 87.5 Ų | 87.5 | 51% | 0.509 | 51% | 0.508 | S | S | . | . | trans | -141.7 | 110.1 | 154.5 | -76.3 | -175.5 | 140.2 | 0 | 0 | 108 | L337 R433 | L337-E339 PolarHBondContact O-N 2.79Å; E339-R433 IonicContact OE1-NH1 2.84Å; E339-R433 IonicContact OE2-CZ 2.73Å; E339-R433 IonicContact OE2-NH1 2.71Å; E339-R433 PolarHBondContact OE2-NH1 2.98Å; E339-R433 IonicContact OE2-NH2 3.73Å; E339-R433 PolarHBondContact OE2-NH2 3.29Å | ||
| 340 | P | 36.2 | Very low | 56.9 | Low | 109 Ų | 109 | 96.8 Ų | 96.8 | 71% | 0.708 | 55% | 0.552 | S | S | * | * | trans | -64.4 | 136.6 | 157.8 | 29 | -32.2 | 0 | 0 | 0 | 107.9 | ||||
| 341 | P | 35.2 | Very low | 53.4 | Low | 113 Ų | 113 | 102 Ų | 102 | 73% | 0.734 | 59% | 0.588 | S | S | * | * | trans | -62.9 | 128.1 | 177.2 | 26.1 | -33.2 | 0 | 0 | 0 | 109.1 | C343 | P341-C343 PolarHBondContact O-N 2.94Š| ||
| 342 | P | 31.5 | Very low | 50.1 | Low | 125 Ų | 125 | 112.4 Ų | 112.4 | 81% | 0.812 | 63% | 0.627 | S | S | * | * | trans | -62.9 | 115.9 | 170 | 26.1 | -32.4 | 0 | 0 | 0 | 107.8 | S344 | P342-S344 PolarHBondContact O-N 2.83Š| ||
| 343 | C | 30.8 | Very low | 46.6 | Very low | 124 Ų | 124 | 120 Ų | 120 | 84% | 0.838 | 66% | 0.662 | S | S | * | * | trans | -57 | 112.6 | 174 | -70.2 | 0 | 0 | 0 | 0 | 108.8 | P341 | P341-C343 PolarHBondContact O-N 2.94Š| ||
| 344 | S | 34.1 | Very low | 43.3 | Very low | 104 Ų | 104 | 124.8 Ų | 124.8 | 73% | 0.727 | 70% | 0.696 | S | S | * | * | trans | -57.8 | 128.9 | 172.3 | 49 | 0 | 0 | 0 | 0 | 109.1 | P342 | P342-S344 PolarHBondContact O-N 2.83Š| ||
| 345 | P | 35.1 | Very low | 40 | Very low | 113 Ų | 113 | 130.5 Ų | 130.5 | 73% | 0.734 | 72% | 0.723 | S | S | * | * | trans | -53.2 | 142.6 | 169.4 | -25.1 | 34.8 | 0 | 0 | 0 | 110.6 | E347 | P345-E347 PolarHBondContact O-N 3.34Š| ||
| 346 | L | 31.8 | Very low | 36.9 | Very low | 176 Ų | 176 | 135.4 Ų | 135.4 | 92% | 0.921 | 75% | 0.754 | S | S | * | * | trans | -68.6 | 93.8 | 172.8 | -79.7 | 161.2 | 0 | 0 | 0 | 109.3 | T348 | L346-T348 PolarHBondContact O-N 3.05Š| ||
| 347 | E | 29.2 | Very low | 34.1 | Very low | 190 Ų | 190 | 140.4 Ų | 140.4 | 89% | 0.888 | 77% | 0.768 | S | S | * | * | P | Polyproline II helix | trans | -67.2 | 120.4 | 169.2 | -71.2 | -163.3 | 145.1 | 0 | 0 | 109.8 | P345 | P345-E347 PolarHBondContact O-N 3.34Š|
| 348 | T | 26.8 | Very low | 31.5 | Very low | 137 Ų | 137 | 145.2 Ų | 145.2 | 84% | 0.84 | 80% | 0.803 | S | S | * | * | P | Polyproline II helix | trans | -69.7 | 139.1 | -178.7 | 45.1 | 0 | 0 | 0 | 0 | 111.7 | L346 E350 | L346-T348 PolarHBondContact O-N 3.05Å; T348-E350 PolarHBondContact O-N 3.16Å |
| 349 | T | 28.3 | Very low | 29.9 | Very low | 140 Ų | 140 | 149.5 Ų | 149.5 | 86% | 0.859 | 81% | 0.813 | S | S | * | * | P | Polyproline II helix | trans | -61.5 | 118 | 177.1 | 51.6 | 0 | 0 | 0 | 0 | 113.1 | ||
| 350 | E | 27.3 | Very low | 29 | Very low | 196 Ų | 196 | 151 Ų | 151 | 92% | 0.916 | 83% | 0.83 | S | S | * | * | trans | -129.8 | 160.8 | 145.2 | -82.3 | -154.6 | 157.9 | 0 | 0 | 109.9 | T348 | T348-E350 PolarHBondContact O-N 3.16Š| ||
| 351 | S | 25.7 | Very low | 28.6 | Very low | 112 Ų | 112 | 149.5 Ų | 149.5 | 78% | 0.783 | 84% | 0.835 | S | S | * | * | trans | -138.4 | 137 | -166.7 | 58.3 | 0 | 0 | 0 | 0 | 113 | ||||
| 352 | R | 27.7 | Very low | 28.2 | Very low | 229 Ų | 229 | 147.3 Ų | 147.3 | 86% | 0.864 | 83% | 0.833 | S | S | * | * | trans | -164.1 | 116.8 | 154.1 | -113.7 | 158.2 | -173.5 | 171.9 | 3.3 | 114.7 | ||||
| 353 | Q | 25.4 | Very low | 28 | Very low | 165 Ų | 165 | 150.4 Ų | 150.4 | 77% | 0.771 | 84% | 0.836 | S | S | * | * | trans | 48.2 | 92.2 | 134.2 | -66.7 | 176 | -33.4 | 0 | 0 | 119.2 | ||||
| 354 | S | 26.3 | Very low | 27.7 | Very low | 107 Ų | 107 | 152.3 Ų | 152.3 | 75% | 0.748 | 84% | 0.837 | S | S | * | * | 28.2 | 115.8 | 121.4 | 61.1 | 0 | 0 | 0 | 0 | 119.4 | |||||
| 355 | Q | 25.7 | Very low | 27.3 | Very low | 204 Ų | 204 | 157.2 Ų | 157.2 | 95% | 0.953 | 84% | 0.839 | S | S | * | * | trans | -137.3 | 139.2 | 138.7 | -107.9 | 170.9 | 58.9 | 0 | 0 | 109.4 | ||||
| 356 | T | 25.4 | Very low | 26.9 | Very low | 139 Ų | 139 | 159.2 Ų | 159.2 | 85% | 0.853 | 84% | 0.842 | S | S | * | * | trans | -102.1 | 116.2 | -176.5 | 47.4 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 357 | E | 26 | Very low | 26.4 | Very low | 188 Ų | 188 | 157.2 Ų | 157.2 | 88% | 0.879 | 83% | 0.828 | S | S | * | * | trans | -127.3 | 133.4 | 157.2 | -72.9 | -152.9 | 141.1 | 0 | 0 | 110.2 | ||||
| 358 | S | 26.2 | Very low | 26.2 | Very low | 119 Ų | 119 | 156.6 Ų | 156.6 | 83% | 0.832 | 82% | 0.819 | S | S | * | * | trans | -90.6 | 124.8 | 176.4 | 48.5 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 359 | R | 27 | Very low | 26.2 | Very low | 240 Ų | 240 | 157.7 Ų | 157.7 | 91% | 0.906 | 82% | 0.815 | S | S | * | * | trans | -136.4 | 138.9 | 160.1 | -100.9 | 168.3 | -169.6 | -171 | 2.2 | 110.9 | ||||
| 360 | T | 27.5 | Very low | 26.3 | Very low | 140 Ų | 140 | 154.6 Ų | 154.6 | 86% | 0.859 | 80% | 0.799 | S | S | * | * | trans | -72.6 | 143.4 | -171.3 | 38.3 | 0 | 0 | 0 | 0 | 111.8 | G362 | T360-G362 PolarHBondContact O-N 3.47Å; T360-G362 VanDerWaalsContact O-N 3.08Å | ||
| 361 | G | 28.4 | Very low | 26.4 | Very low | 79 Ų | 79 | 151 Ų | 151 | 81% | 0.814 | 79% | 0.792 | S | S | * | * | trans | -69.2 | 102.8 | 176.4 | 0 | 0 | 0 | 0 | 0 | 111.5 | H363 | G361-H363 PolarHBondContact O-N 3.21Š| ||
| 362 | G | 25.1 | Very low | 26.6 | Very low | 67 Ų | 67 | 151.7 Ų | 151.7 | 69% | 0.691 | 79% | 0.792 | S | S | * | * | trans | -76.3 | 117.2 | 172.1 | 0 | 0 | 0 | 0 | 0 | 111.3 | T360 L364 | T360-G362 PolarHBondContact O-N 3.47Å; T360-G362 VanDerWaalsContact O-N 3.08Å; G362-L364 PolarHBondContact O-N 3.1Å | ||
| 363 | H | 28.2 | Very low | 26.7 | Very low | 189 Ų | 189 | 145.9 Ų | 145.9 | 88% | 0.875 | 79% | 0.793 | S | S | * | * | trans | -65.6 | 120.1 | 158.5 | -86.8 | 48.4 | 0 | 0 | 0 | 108.4 | G361 R365 | G361-H363 PolarHBondContact O-N 3.21Å; H363-R365 VanDerWaalsContact C-N 3.29Å; H363-R365 PolarHBondContact O-N 3.21Å | ||
| 364 | L | 24.1 | Very low | 26.8 | Very low | 164 Ų | 164 | 142.3 Ų | 142.3 | 86% | 0.859 | 79% | 0.786 | S | S | * | * | trans | -72.8 | 88.5 | 166.5 | -87.2 | 110.9 | 0 | 0 | 0 | 109.3 | G362 I366 | G362-L364 PolarHBondContact O-N 3.1Å; L364-I366 PolarHBondContact O-N 3.04Å | ||
| 365 | R | 25.5 | Very low | 27 | Very low | 207 Ų | 207 | 146.4 Ų | 146.4 | 78% | 0.781 | 79% | 0.791 | S | S | * | * | trans | -79.6 | 95.1 | 171.7 | -165.9 | -178.1 | -160.2 | 175.5 | 4.4 | 108.6 | H363 Q367 | H363-R365 VanDerWaalsContact C-N 3.29Å; H363-R365 PolarHBondContact O-N 3.21Å; R365-Q367 PolarHBondContact O-N 3.45Å | ||
| 366 | I | 27.9 | Very low | 27 | Very low | 156 Ų | 156 | 142.3 Ų | 142.3 | 80% | 0.8 | 78% | 0.775 | S | S | * | * | trans | -73.8 | 95 | 171.7 | -57.8 | 179.1 | 0 | 0 | 0 | 107.4 | L364 | L364-I366 PolarHBondContact O-N 3.04Š| ||
| 367 | Q | 21.7 | Very low | 27.1 | Very low | 133 Ų | 133 | 142.5 Ų | 142.5 | 62% | 0.621 | 78% | 0.777 | S | S | * | * | trans | -76.9 | 118.7 | 165.9 | -102.5 | 172.9 | -92.4 | 0 | 0 | 108.6 | R365 E369 | R365-Q367 PolarHBondContact O-N 3.45Å; Q367-E369 PolarHBondContact NE2-OE1 3.04Å | ||
| 368 | Y | 24.8 | Very low | 27.1 | Very low | 177 Ų | 177 | 138.4 Ų | 138.4 | 69% | 0.694 | 77% | 0.769 | S | S | * | * | trans | -112.5 | 118.5 | 165 | -176.6 | -102.6 | 0 | 0 | 0 | 107 | S370 | Y368-S370 VanDerWaalsContact CE1-CB 3.42Š| ||
| 369 | E | 25.1 | Very low | 27.2 | Very low | 161 Ų | 161 | 141.3 Ų | 141.3 | 75% | 0.752 | 77% | 0.774 | S | S | * | * | trans | -112.6 | 123.6 | 176.4 | -71.3 | 176.4 | -172.9 | 0 | 0 | 107.7 | Q367 | Q367-E369 PolarHBondContact NE2-OE1 3.04Š| ||
| 370 | S | 31.2 | Very low | 27.2 | Very low | 75 Ų | 75 | 139.4 Ų | 139.4 | 52% | 0.524 | 78% | 0.776 | S | S | . | * | trans | -150 | 147.5 | -177 | -168.1 | 0 | 0 | 0 | 0 | 110.5 | Y368 | Y368-S370 VanDerWaalsContact CE1-CB 3.42Š| ||
| 371 | P | 28.7 | Very low | 27.3 | Very low | 119 Ų | 119 | 140.2 Ų | 140.2 | 77% | 0.773 | 78% | 0.775 | S | S | * | * | trans | -116.4 | 80 | -150.7 | 38.8 | -25.7 | 0 | 0 | 0 | 114.4 | ||||
| 372 | T | 30.1 | Very low | 27.5 | Very low | 127 Ų | 127 | 144.5 Ų | 144.5 | 78% | 0.779 | 78% | 0.779 | S | S | * | * | trans | -139.9 | 84 | 172.3 | 24.2 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 373 | A | 31.1 | Very low | 27.9 | Very low | 108 Ų | 108 | 146.7 Ų | 146.7 | 89% | 0.893 | 78% | 0.783 | S | S | * | * | trans | -115.7 | 75.1 | 172.4 | 0 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 374 | S | 26.6 | Very low | 28.3 | Very low | 89 Ų | 89 | 141.1 Ų | 141.1 | 62% | 0.622 | 78% | 0.778 | S | S | * | * | trans | -173.5 | 136.8 | 177.1 | 47.8 | 0 | 0 | 0 | 0 | 106.2 | ||||
| 375 | F | 30.1 | Very low | 28.4 | Very low | 194 Ų | 194 | 144.9 Ų | 144.9 | 85% | 0.851 | 78% | 0.78 | S | S | * | * | cis | -164.7 | 170.3 | 9.7 | -108.1 | -54.4 | 0 | 0 | 0 | 104.9 | ||||
| 376 | D | 25.5 | Very low | 28.3 | Very low | 117 Ų | 117 | 145.3 Ų | 145.3 | 63% | 0.626 | 78% | 0.783 | S | S | * | * | cis | -159.9 | 133.9 | -8.3 | -175.5 | 6.1 | 0 | 0 | 0 | 107.8 | ||||
| 377 | T | 27.2 | Very low | 28.2 | Very low | 144 Ų | 144 | 144.3 Ų | 144.3 | 88% | 0.883 | 78% | 0.778 | S | S | * | * | trans | -151 | 104.6 | 154.2 | 47.2 | 0 | 0 | 0 | 0 | 108 | L379 | T377-L379 PolarHBondContact O-N 2.92Š| ||
| 378 | S | 26 | Very low | 29 | Very low | 102 Ų | 102 | 143 Ų | 143 | 71% | 0.713 | 78% | 0.782 | S | S | * | * | trans | -74.1 | 119.9 | -171.9 | 50.4 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 379 | L | 29.8 | Very low | 28.9 | Very low | 179 Ų | 179 | 143.2 Ų | 143.2 | 94% | 0.937 | 79% | 0.789 | S | S | * | * | trans | -145.2 | 107.6 | 154.9 | -74.3 | -178.1 | 0 | 0 | 0 | 109.1 | T377 | T377-L379 PolarHBondContact O-N 2.92Š| ||
| 380 | E | 27.1 | Very low | 28.8 | Very low | 201 Ų | 201 | 140.8 Ų | 140.8 | 94% | 0.939 | 79% | 0.789 | S | S | * | * | trans | -107.9 | 140.7 | 163.8 | -67.9 | -174.1 | 139.5 | 0 | 0 | 109.1 | ||||
| 381 | D | 29.4 | Very low | 28.4 | Very low | 157 Ų | 157 | 145.1 Ų | 145.1 | 84% | 0.84 | 81% | 0.806 | S | S | * | * | trans | -139.4 | 154.2 | 147.8 | 79.7 | -13.8 | 0 | 0 | 0 | 112.4 | ||||
| 382 | D | 32.3 | Very low | 28.2 | Very low | 169 Ų | 169 | 144.8 Ų | 144.8 | 90% | 0.904 | 81% | 0.806 | S | S | * | * | S | Bend | trans | -84.8 | 118.3 | -163.4 | -83.8 | -60.4 | 0 | 0 | 0 | 113.5 | ||
| 383 | S | 34 | Very low | 28.4 | Very low | 112 Ų | 112 | 144.3 Ų | 144.3 | 78% | 0.783 | 81% | 0.805 | S | S | * | * | trans | 179.2 | 14.3 | 145.4 | 46 | 0 | 0 | 0 | 0 | 117.6 | R385 | S383-R385 PolarHBondContact O-N 3.33Š| ||
| 384 | G | 36.1 | Very low | 28 | Very low | 73 Ų | 73 | 144.9 Ų | 144.9 | 75% | 0.753 | 80% | 0.803 | S | S | * | * | trans | -47.6 | 116.3 | -165.9 | 0 | 0 | 0 | 0 | 0 | 119.5 | ||||
| 385 | R | 25.8 | Very low | 27.9 | Very low | 243 Ų | 243 | 146.5 Ų | 146.5 | 92% | 0.917 | 81% | 0.814 | S | S | * | * | trans | -166.8 | 156.8 | 154.5 | -90.6 | 130 | -160.2 | -112.3 | 3.3 | 107 | S383 | S383-R385 PolarHBondContact O-N 3.33Š| ||
| 386 | Y | 23.5 | Very low | 27.8 | Very low | 215 Ų | 215 | 142.3 Ų | 142.3 | 84% | 0.843 | 82% | 0.815 | S | S | * | * | cis | -150.9 | -174.6 | 41.6 | 179.7 | -105.6 | 0 | 0 | 0 | 111.8 | ||||
| 387 | I | 26.7 | Very low | 27.7 | Very low | 136 Ų | 136 | 142.7 Ų | 142.7 | 70% | 0.697 | 83% | 0.827 | S | S | * | * | trans | -121.7 | -164 | -169.2 | -15.9 | -179.2 | 0 | 0 | 0 | 111.7 | ||||
| 388 | P | 37.1 | Very low | 27.5 | Very low | 106 Ų | 106 | 140.7 Ų | 140.7 | 69% | 0.688 | 82% | 0.819 | S | S | * | * | trans | -123 | -148.5 | -134 | 42.3 | -21 | 0 | 0 | 0 | 115.3 | ||||
| 389 | E | 23.2 | Very low | 27.5 | Very low | 180 Ų | 180 | 142.8 Ų | 142.8 | 84% | 0.841 | 83% | 0.827 | S | S | * | * | trans | 83 | 149.2 | 172.7 | -63 | -169.4 | 175.5 | 0 | 0 | 117.9 | ||||
| 390 | S | 22.7 | Very low | 27.4 | Very low | 110 Ų | 110 | 139 Ų | 139 | 77% | 0.769 | 82% | 0.822 | S | S | * | * | cis | -161.3 | -176.4 | -18.3 | 54.1 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 391 | L | 23.9 | Very low | 27.3 | Very low | 166 Ų | 166 | 132.7 Ų | 132.7 | 87% | 0.869 | 81% | 0.811 | S | S | * | * | trans | -78.8 | 161.9 | -171.6 | -69.4 | 154.4 | 0 | 0 | 0 | 114.1 | ||||
| 392 | S | 24.5 | Very low | 28 | Very low | 112 Ų | 112 | 131.2 Ų | 131.2 | 78% | 0.783 | 81% | 0.81 | S | S | * | * | 166.1 | -165.8 | 87.3 | 64.5 | 0 | 0 | 0 | 0 | 111.9 | |||||
| 393 | P | 34.5 | Very low | 27.8 | Very low | 117 Ų | 117 | 129.2 Ų | 129.2 | 76% | 0.76 | 81% | 0.806 | S | S | * | * | -135.2 | 173.2 | -116.2 | 37.3 | -14.5 | 0 | 0 | 0 | 118.4 | |||||
| 394 | S | 23 | Very low | 27.4 | Very low | 120 Ų | 120 | 128.4 Ų | 128.4 | 84% | 0.839 | 81% | 0.806 | S | S | * | * | trans | 175.2 | 164.1 | 157.2 | 39.2 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 395 | S | 24.3 | Very low | 27 | Very low | 123 Ų | 123 | 130.2 Ų | 130.2 | 86% | 0.86 | 81% | 0.806 | S | S | * | * | cis | -160.7 | 169.6 | -28.8 | 57 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 396 | A | 26.6 | Very low | 27.2 | Very low | 106 Ų | 106 | 124.8 Ų | 124.8 | 88% | 0.876 | 80% | 0.802 | S | S | * | * | trans | -118.8 | 154 | -165.3 | 0 | 0 | 0 | 0 | 0 | 116.4 | ||||
| 397 | S | 23.8 | Very low | 27.6 | Very low | 125 Ų | 125 | 118.4 Ų | 118.4 | 87% | 0.874 | 78% | 0.783 | S | S | * | * | trans | -158.5 | 179.7 | 164.6 | 68 | 0 | 0 | 0 | 0 | 112 | ||||
| 398 | S | 24 | Very low | 28.3 | Very low | 103 Ų | 103 | 118.3 Ų | 118.3 | 72% | 0.72 | 79% | 0.791 | S | S | * | * | trans | -152.2 | 143.3 | -152.4 | 57.9 | 0 | 0 | 0 | 0 | 118.2 | ||||
| 399 | V | 26.2 | Very low | 28.1 | Very low | 145 Ų | 145 | 116.5 Ų | 116.5 | 88% | 0.879 | 79% | 0.785 | S | S | * | * | trans | 58.6 | 132.9 | 138 | 172.5 | 0 | 0 | 0 | 0 | 118.8 | ||||
| 400 | A | 26.8 | Very low | 28.7 | Very low | 99 Ų | 99 | 114 Ų | 114 | 82% | 0.818 | 78% | 0.782 | S | S | * | * | cis | -156.2 | -158.1 | -6.1 | 0 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 401 | G | 25.3 | Very low | 29.4 | Very low | 70 Ų | 70 | 114.9 Ų | 114.9 | 72% | 0.722 | 78% | 0.778 | S | S | * | * | cis | -177.4 | -175 | 8.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 402 | P | 44.3 | Very low | 30.5 | Very low | 125 Ų | 125 | 109.6 Ų | 109.6 | 81% | 0.812 | 76% | 0.755 | S | S | * | * | trans | -125.8 | 177.7 | -158.2 | 44 | -32.8 | 0 | 0 | 0 | 117.6 | ||||
| 403 | P | 28 | Very low | 32.4 | Very low | 127 Ų | 127 | 109.3 Ų | 109.3 | 83% | 0.825 | 75% | 0.75 | S | S | * | * | trans | -139 | 166.7 | 135.3 | 39.2 | -27.6 | 0 | 0 | 0 | 113.2 | ||||
| 404 | A | 25.4 | Very low | 34.5 | Very low | 95 Ų | 95 | 107.4 Ų | 107.4 | 79% | 0.785 | 75% | 0.745 | S | S | * | * | cis | -165.1 | 154.5 | -25.8 | 0 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 405 | C | 27.8 | Very low | 37.6 | Very low | 111 Ų | 111 | 102.4 Ų | 102.4 | 75% | 0.75 | 71% | 0.709 | S | S | * | * | trans | -104.4 | 175.9 | -172.4 | -53.9 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 406 | P | 30.9 | Very low | 40.8 | Very low | 129 Ų | 129 | 98.3 Ų | 98.3 | 84% | 0.838 | 68% | 0.68 | S | S | * | * | trans | -129.1 | 141.7 | 132.1 | 22.6 | -5.1 | 0 | 0 | 0 | 113.5 | ||||
| 407 | N | 29.9 | Very low | 44 | Very low | 81 Ų | 81 | 93.5 Ų | 93.5 | 43% | 0.433 | 64% | 0.64 | S | S | . | * | trans | -99 | 173 | 175.5 | -73 | 25 | 0 | 0 | 0 | 111.3 | C443 | N407-C443 WeakPolarHBondContact ND2-CB 3.43Š| ||
| 408 | P | 42 | Very low | 47.4 | Very low | 134 Ų | 134 | 87.5 Ų | 87.5 | 87% | 0.87 | 60% | 0.599 | S | S | * | * | -127 | 171.8 | 93.3 | 37.5 | -31.1 | 0 | 0 | 0 | 113.6 | |||||
| 409 | A | 32.8 | Very low | 50.9 | Low | 69 Ų | 69 | 82.6 Ų | 82.6 | 57% | 0.57 | 56% | 0.564 | S | S | * | * | trans | -103.5 | 163 | -171 | 0 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 410 | V | 35.5 | Very low | 54.3 | Low | 128 Ų | 128 | 75.7 Ų | 75.7 | 78% | 0.776 | 52% | 0.522 | S | S | * | . | trans | -140.3 | 116.9 | 165.3 | 178.6 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 411 | D | 38.8 | Very low | 57.7 | Low | 128 Ų | 128 | 71 Ų | 71 | 68% | 0.684 | 48% | 0.483 | S | S | * | . | trans | -60.7 | 133.3 | 179.2 | -55.9 | 12.1 | 0 | 0 | 0 | 110.3 | E440 | D411-E440 WeakPolarHBondContact CA-OE1 3.48Š| ||
| 412 | S | 47.1 | Very low | 61.1 | Low | 54 Ų | 54 | 67.7 Ų | 67.7 | 38% | 0.378 | 45% | 0.449 | S | S | . | . | trans | -104.6 | 117.3 | -176 | -66.6 | 0 | 0 | 0 | 0 | 110.8 | E440 | S412-E440 PolarHBondContact N-OE1 2.69Š| ||
| 413 | P | 62.7 | Low | 63.4 | Low | 106 Ų | 106 | 61.8 Ų | 61.8 | 69% | 0.688 | 41% | 0.411 | S | S | * | . | P | Polyproline II helix | trans | -66.5 | 145.5 | -169 | 25.8 | -34.6 | 0 | 0 | 0 | 113.1 | P438 | P413-P438 WeakPolarHBondContact O-CD 3.36Š|
| 414 | A | 80.4 | Confident | 66.5 | Low | 78 Ų | 78 | 56.8 Ų | 56.8 | 65% | 0.645 | 38% | 0.376 | S | S | * | . | P | Polyproline II helix | trans | -68.5 | 136.3 | 171.4 | 0 | 0 | 0 | 0 | 0 | 111 | T437 | A414-T437 HydrophobicContact CB-CG2 3.95Š|
| 415 | V | 87.3 | Confident | 69.6 | Low | 14 Ų | 14 | 59.3 Ų | 59.3 | 9% | 0.085 | 37% | 0.367 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.9 | 136.6 | 178.1 | 179.5 | 0 | 0 | 0 | 0 | 109.2 | H285 C417 W434 D435 W436 | H285-V415 WeakPolarHBondContact NE2-CG2 3.39Å; V415-C417 WeakPolarHBondContact CG1-SG 3.06Å; V415-W434 HydrophobicContact CG1-CZ3 4.2Å; V415-D435 CarbonylContact O-C 3.51Å; V415-D435 WeakPolarHBondContact O-CA 3.22Å; V415-W436 HydrophobicContact CB-CB 4.47Å; V415-W436 HydrophobicContact CB-CE3 4.04Å; V415-W436 HydrophobicContact CG2-CE3 3.73Å; V415-W436 HydrophobicContact CG2-CZ3 4.12Å; V415-W436 PolarHBondContact N-O 2.75Å; V415-W436 PolarHBondContact O-N 3.49Å |
| 416 | S | 91.3 | Very high | 72.6 | Confident | 37 Ų | 37 | 56.7 Ų | 56.7 | 26% | 0.259 | 35% | 0.345 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.3 | 102.3 | -179.7 | -179.2 | 0 | 0 | 0 | 0 | 109 | R433 W434 | S416-R433 PolarHBondContact OG-NE 2.64Å; S416-R433 PolarHBondContact OG-NH2 3.1Å; S416-W434 WeakPolarHBondContact CA-O 3.21Å |
| 417 | C | 93.7 | Very high | 75.7 | Confident | 5 Ų | 5 | 53.4 Ų | 53.4 | 3% | 0.034 | 32% | 0.318 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.7 | 137.6 | -173.3 | -55.5 | 0 | 0 | 0 | 0 | 111.1 | H282 W332 V415 M419 R433 W434 | H282-C417 PolarHBondContact NE2-SG 3.28Å; W332-C417 HydrophobicContact CE3-CB 3.97Å; W332-C417 HydrophobicContact CZ3-CB 3.84Å; V415-C417 WeakPolarHBondContact CG1-SG 3.06Å; C417-M419 HydrophobicContact CB-CE 4.17Å; C417-R433 CarbonylContact O-C 3.41Å; C417-R433 VanDerWaalsContact O-CA 3.29Å; C417-R433 WeakPolarHBondContact O-CA 3.05Å; C417-W434 HydrophobicContact CB-CE3 4.2Å; C417-W434 PolarHBondContact N-O 3.28Å; C417-W434 PolarHBondContact O-N 2.79Å |
| 418 | L | 95.8 | Very high | 78.8 | Confident | 0 Ų | 0 | 51.8 Ų | 51.8 | 0% | 0 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.5 | 135.3 | 161.2 | 177.1 | 65.2 | 0 | 0 | 0 | 108.9 | L10 W24 F64 S333 L335 L337 V431 | L10-L418 HydrophobicContact CD1-CD1 3.68Å; W24-L418 HydrophobicContact CH2-CD2 3.59Å; W24-L418 HydrophobicContact CH2-CG 4.06Å; W24-L418 HydrophobicContact CZ2-CD1 4.44Å; W24-L418 HydrophobicContact CZ2-CD2 3.92Å; W24-L418 HydrophobicContact CZ2-CG 3.87Å; W24-L418 HydrophobicContact CZ3-CD2 4.07Å; F64-L418 HydrophobicContact CD1-CD2 3.73Å; F64-L418 HydrophobicContact CD2-CD1 4.37Å; F64-L418 HydrophobicContact CD2-CD2 3.96Å; F64-L418 HydrophobicContact CE1-CD2 3.65Å; F64-L418 HydrophobicContact CE2-CD1 3.71Å; F64-L418 HydrophobicContact CE2-CD2 3.88Å; F64-L418 HydrophobicContact CE2-CG 4.47Å; F64-L418 HydrophobicContact CG-CD2 3.89Å; F64-L418 HydrophobicContact CZ-CD1 3.83Å; F64-L418 HydrophobicContact CZ-CD2 3.73Å; F64-L418 HydrophobicContact CZ-CG 4.46Å; S333-L418 WeakPolarHBondContact CB-O 3.36Å; S333-L418 PolarHBondContact N-O 3.21Å; L335-L418 HydrophobicContact CD2-CD2 4.06Å; L337-L418 HydrophobicContact CD1-CB 3.92Å; L337-L418 HydrophobicContact CD2-CB 4.27Å; L337-L418 HydrophobicContact CG-CB 4.09Å; L418-V431 HydrophobicContact CD1-CG1 3.7Å |
| 419 | M | 96.5 | Very high | 81.5 | Confident | 0 Ų | 0 | 45.4 Ų | 45.4 | 0% | 0 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.2 | 159.6 | 177.5 | -82.4 | 169.1 | -75.7 | 0 | 0 | 111.4 | L290 I300 D331 W332 C417 V431 W432 W434 | L290-M419 HydrophobicContact CD1-SD 4.28Å; L290-M419 HydrophobicContact CD2-CG 4.42Å; L290-M419 HydrophobicContact CD2-SD 4.06Å; I300-M419 HydrophobicContact CD1-CE 3.92Å; I300-M419 HydrophobicContact CD1-SD 4.13Å; D331-M419 WeakPolarHBondContact O-CA 3.38Å; W332-M419 HydrophobicContact CD2-CG 4.18Å; W332-M419 HydrophobicContact CD2-SD 4.18Å; W332-M419 HydrophobicContact CE3-CE 4.13Å; W332-M419 HydrophobicContact CE3-CG 3.53Å; W332-M419 HydrophobicContact CE3-SD 3.43Å; W332-M419 HydrophobicContact CH2-SD 4.05Å; W332-M419 HydrophobicContact CZ3-CE 3.72Å; W332-M419 HydrophobicContact CZ3-CG 4.07Å; W332-M419 HydrophobicContact CZ3-SD 3.36Å; W332-M419 WeakPolarHBondContact CZ3-SD 3.29Å; C417-M419 HydrophobicContact CB-CE 4.17Å; M419-V431 WeakPolarHBondContact O-CA 3.06Å; M419-W432 HydrophobicContact CB-CD2 4.15Å; M419-W432 HydrophobicContact CB-CZ2 4.18Å; M419-W432 HydrophobicContact CE-CD2 4.28Å; M419-W432 HydrophobicContact CE-CE3 3.7Å; M419-W432 HydrophobicContact CE-CH2 3.55Å; M419-W432 HydrophobicContact CE-CZ2 4.14Å; M419-W432 HydrophobicContact CE-CZ3 3.3Å; M419-W432 PolarHBondContact N-O 3.35Å; M419-W432 PolarHBondContact O-N 3.26Å; M419-W432 HydrophobicContact SD-CH2 3.54Å; M419-W432 VanDerWaalsContact SD-CH2 3.54Å; M419-W432 HydrophobicContact SD-CZ2 3.75Å; M419-W432 HydrophobicContact SD-CZ3 3.97Å; M419-W434 HydrophobicContact CE-CB 3.32Å; M419-W434 HydrophobicContact CE-CG 4.18Å |
| 420 | A | 97.9 | Very high | 84.5 | Confident | 0 Ų | 0 | 42.7 Ų | 42.7 | 0% | 0 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.6 | 149.7 | 165.3 | 0 | 0 | 0 | 0 | 0 | 110.5 | V22 W24 L34 A330 D331 L429 H430 V431 | V22-A420 HydrophobicContact CG2-CB 3.69Å; W24-A420 HydrophobicContact CZ2-CB 3.99Å; L34-A420 HydrophobicContact CD1-CB 3.94Å; L34-A420 HydrophobicContact CD2-CB 3.75Å; L34-A420 HydrophobicContact CG-CB 4.49Å; A330-A420 WeakPolarHBondContact CA-O 3.49Å; D331-A420 PolarHBondContact N-O 2.98Å; D331-A420 PolarHBondContact O-N 3.41Å; D331-A420 VanDerWaalsContact O-N 3.09Å; A420-L429 HydrophobicContact CB-CD1 4.38Å; A420-H430 CarbonylContact C-O 3.51Å; A420-H430 VanDerWaalsContact CA-O 3.22Å; A420-H430 WeakPolarHBondContact CA-O 3.31Å; A420-V431 HydrophobicContact CB-CG2 4.45Å |
| 421 | S | 97.6 | Very high | 87.4 | Confident | 0 Ų | 0 | 36.6 Ų | 36.6 | 0% | 0 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -151.5 | 146.2 | 179.4 | 55.3 | 0 | 0 | 0 | 0 | 112.5 | G329 H430 W432 | G329-S421 CarbonylContact O-C 3.58Å; G329-S421 VanDerWaalsContact O-CA 3.26Å; G329-S421 WeakPolarHBondContact O-CA 3.35Å; S421-H430 PolarHBondContact N-O 3.5Å; S421-H430 PolarHBondContact O-N 3.01Å; S421-W432 PolarHBondContact OG-NE1 2.81Å |
| 422 | C | 97.1 | Very high | 90 | Very high | 0 Ų | 0 | 30.6 Ų | 30.6 | 0% | 0 | 17% | 0.174 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.6 | 124.4 | -175.7 | -65.2 | 0 | 0 | 0 | 0 | 111.5 | A19 V22 F298 G329 | A19-C422 HydrophobicContact CB-CB 3.76Å; A19-C422 WeakPolarHBondContact O-CB 3.29Å; V22-C422 VanDerWaalsContact CB-SG 3.58Å; V22-C422 VanDerWaalsContact CG1-SG 3.56Å; F298-C422 WeakPolarHBondContact CZ-O 3.42Å; G329-C422 PolarHBondContact O-N 3.35Å |
| 423 | S | 93.8 | Very high | 92.2 | Very high | 2 Ų | 2 | 29.5 Ų | 29.5 | 1% | 0.014 | 16% | 0.161 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.7 | 117.1 | 172.8 | -154.3 | 0 | 0 | 0 | 0 | 107.2 | S325 D426 M428 | S325-S423 WeakPolarHBondContact CB-OG 3.37Å; S325-S423 PolarHBondContact OG-OG 3.17Å; S423-D426 WeakPolarHBondContact CB-OD1 3.28Å; S423-D426 WeakPolarHBondContact CB-OD2 3.16Å; S423-D426 VanDerWaalsContact O-OD1 3.09Å; S423-D426 PolarHBondContact OG-OD1 2.65Å; S423-D426 PolarHBondContact OG-OD2 3.25Å; S423-M428 WeakPolarHBondContact CB-O 3.39Å; S423-M428 PolarHBondContact N-O 2.89Å; S423-M428 PolarHBondContact O-N 3.27Å |
| 424 | F | 92.8 | Very high | 93.8 | Very high | 22 Ų | 22 | 24.5 Ų | 24.5 | 10% | 0.096 | 13% | 0.129 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -76.2 | -66.9 | -163.9 | -170.7 | -96.8 | 0 | 0 | 0 | 114.4 | S18 D20 Y39 S325 L326 Y328 D426 H427 | S18-F424 VanDerWaalsContact CA-O 3.3Å; S18-F424 WeakPolarHBondContact CA-O 3.36Å; S18-F424 WeakPolarHBondContact CB-O 3.29Å; S18-F424 PolarHBondContact OG-O 2.95Å; D20-F424 HydrophobicContact CB-CE2 4.5Å; Y39-F424 HydrophobicContact CD1-CE2 4.16Å; Y39-F424 AromaticContact CD1-CZ 3.92Å; Y39-F424 HydrophobicContact CD1-CZ 3.92Å; S325-F424 PolarHBondContact OG-N 2.79Å; L326-F424 HydrophobicContact CB-CB 3.9Å; L326-F424 HydrophobicContact CD1-CD1 4.3Å; L326-F424 WeakPolarHBondContact O-CB 3.44Å; L326-F424 PolarHBondContact O-N 3.24Å; Y328-F424 HydrophobicContact CD2-CB 4.29Å; Y328-F424 AromaticContact CD2-CD2 3.57Å; Y328-F424 HydrophobicContact CD2-CD2 3.57Å; Y328-F424 HydrophobicContact CD2-CE2 4.1Å; Y328-F424 HydrophobicContact CD2-CG 4.08Å; Y328-F424 HydrophobicContact CE2-CB 4.4Å; Y328-F424 HydrophobicContact CE2-CD1 4.42Å; Y328-F424 AromaticContact CE2-CD2 3.62Å; Y328-F424 HydrophobicContact CE2-CD2 3.62Å; Y328-F424 AromaticContact CE2-CE2 3.87Å; Y328-F424 HydrophobicContact CE2-CE2 3.87Å; Y328-F424 AromaticContact CE2-CG 3.91Å; Y328-F424 HydrophobicContact CE2-CG 3.91Å; Y328-F424 HydrophobicContact CE2-CZ 4.39Å; F424-D426 VanDerWaalsContact C-N 3.29Å; F424-D426 PolarHBondContact O-N 3.01Å; F424-H427 PolarHBondContact O-N 3.16Å |
| 425 | Y | 90 | Very high | 94.3 | Very high | 148 Ų | 148 | 22 Ų | 22 | 58% | 0.58 | 11% | 0.105 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -71.5 | -19.9 | -168.1 | -73.9 | -50.8 | 0 | 0 | 0 | 114.9 | S325 L326 | S325-Y425 PolarHBondContact OG-N 2.94Å; L326-Y425 HydrophobicContact CD1-CD2 4.15Å; L326-Y425 HydrophobicContact CD1-CE2 3.46Å; L326-Y425 VanDerWaalsContact CD1-CE2 3.46Å; L326-Y425 HydrophobicContact CD2-CD2 4.36Å; L326-Y425 HydrophobicContact CD2-CE2 3.92Å; L326-Y425 HydrophobicContact CG-CD2 3.73Å; L326-Y425 HydrophobicContact CG-CE2 3.45Å; L326-Y425 VanDerWaalsContact CG-CE2 3.45Å |
| 426 | D | 91.8 | Very high | 94.5 | Very high | 56 Ų | 56 | 22.6 Ų | 22.6 | 30% | 0.299 | 11% | 0.105 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -91.5 | -4 | 172.4 | 56 | -21.9 | 0 | 0 | 0 | 112.9 | S325 S423 F424 M428 | S325-D426 VanDerWaalsContact CB-OD1 3.28Å; S325-D426 WeakPolarHBondContact CB-OD1 2.99Å; S325-D426 PolarHBondContact OG-OD1 3.04Å; S423-D426 WeakPolarHBondContact CB-OD1 3.28Å; S423-D426 WeakPolarHBondContact CB-OD2 3.16Å; S423-D426 VanDerWaalsContact O-OD1 3.09Å; S423-D426 PolarHBondContact OG-OD1 2.65Å; S423-D426 PolarHBondContact OG-OD2 3.25Å; F424-D426 VanDerWaalsContact C-N 3.29Å; F424-D426 PolarHBondContact O-N 3.01Å; D426-M428 VanDerWaalsContact C-N 3.3Å; D426-M428 HydrophobicContact CB-CG 4.09Å; D426-M428 VanDerWaalsContact O-CE 3.24Å; D426-M428 WeakPolarHBondContact O-CE 3.12Å; D426-M428 WeakPolarHBondContact O-CG 3.36Å; D426-M428 PolarHBondContact O-N 2.99Å |
| 427 | H | 95 | Very high | 94.3 | Very high | 59 Ų | 59 | 23.8 Ų | 23.8 | 27% | 0.273 | 11% | 0.111 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 61.8 | 28.6 | 179.3 | -39.9 | -49.2 | 0 | 0 | 0 | 114.5 | T15 S18 F424 | T15-H427 PolarHBondContact N-O 3.3Å; T15-H427 PolarHBondContact OG1-O 2.99Å; S18-H427 WeakPolarHBondContact CA-ND1 3.26Å; S18-H427 PolarHBondContact N-ND1 2.74Å; S18-H427 PolarHBondContact OG-CE1 2.8Å; S18-H427 PolarHBondContact OG-ND1 3.12Å; F424-H427 PolarHBondContact O-N 3.16Å |
| 428 | M | 96.1 | Very high | 93.2 | Very high | 48 Ų | 48 | 25.2 Ų | 25.2 | 24% | 0.236 | 12% | 0.12 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102 | 126.7 | -170.4 | -63.3 | -68.3 | 149.7 | 0 | 0 | 113.6 | V12 L13 D14 S423 D426 H430 | V12-M428 HydrophobicContact CG1-CB 3.75Å; V12-M428 HydrophobicContact CG1-CG 3.92Å; V12-M428 HydrophobicContact CG1-SD 3.62Å; L13-M428 CarbonylContact O-C 3.57Å; L13-M428 WeakPolarHBondContact O-CA 3.47Å; D14-M428 HydrophobicContact CB-CE 3.87Å; D14-M428 HydrophobicContact CB-SD 4.25Å; S423-M428 WeakPolarHBondContact CB-O 3.39Å; S423-M428 PolarHBondContact N-O 2.89Å; S423-M428 PolarHBondContact O-N 3.27Å; D426-M428 VanDerWaalsContact C-N 3.3Å; D426-M428 HydrophobicContact CB-CG 4.09Å; D426-M428 VanDerWaalsContact O-CE 3.24Å; D426-M428 WeakPolarHBondContact O-CE 3.12Å; D426-M428 WeakPolarHBondContact O-CG 3.36Å; D426-M428 PolarHBondContact O-N 2.99Å; M428-H430 WeakPolarHBondContact CB-NE2 3.34Å |
| 429 | L | 97.1 | Very high | 91.9 | Very high | 0 Ų | 0 | 30.9 Ų | 30.9 | 0% | 0 | 15% | 0.147 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.1 | 117.8 | 161.6 | 174.2 | 61.6 | 0 | 0 | 0 | 109.7 | V12 L13 T15 V22 L34 C36 F62 L74 A420 | V12-L429 CarbonylContact C-O 3.6Å; V12-L429 WeakPolarHBondContact CA-O 3.4Å; L13-L429 HydrophobicContact CB-CB 4.45Å; L13-L429 HydrophobicContact CD1-CG 4.46Å; L13-L429 PolarHBondContact N-O 2.76Å; L13-L429 PolarHBondContact O-N 2.72Å; T15-L429 HydrophobicContact CG2-CB 3.75Å; V22-L429 HydrophobicContact CG2-CD1 4.03Å; L34-L429 HydrophobicContact CD2-CD2 4.28Å; C36-L429 HydrophobicContact CB-CD2 4.06Å; F62-L429 HydrophobicContact CD2-CD2 3.99Å; F62-L429 HydrophobicContact CE2-CD2 3.43Å; F62-L429 VanDerWaalsContact CE2-CD2 3.43Å; F62-L429 HydrophobicContact CZ-CD2 3.95Å; L74-L429 HydrophobicContact CD2-CD2 4.02Å; A420-L429 HydrophobicContact CB-CD1 4.38Å |
| 430 | H | 96.5 | Very high | 89.8 | Confident | 12 Ų | 12 | 35.6 Ų | 35.6 | 6% | 0.056 | 17% | 0.169 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.2 | 133.9 | 177.3 | -70.9 | -116.2 | 0 | 0 | 0 | 110.5 | Y320 L322 A420 S421 M428 | Y320-H430 HydrophobicContact CE1-CB 4.17Å; Y320-H430 AromaticContact CE1-ND1 3.84Å; Y320-H430 AromaticContact CZ-ND1 3.92Å; Y320-H430 PolarHBondContact OH-ND1 2.7Å; Y320-H430 VanDerWaalsContact OH-ND1 3.1Å; L322-H430 VanDerWaalsContact CD2-CE1 3.45Å; L322-H430 WeakPolarHBondContact CD2-CE1 3.44Å; A420-H430 CarbonylContact C-O 3.51Å; A420-H430 VanDerWaalsContact CA-O 3.22Å; A420-H430 WeakPolarHBondContact CA-O 3.31Å; S421-H430 PolarHBondContact N-O 3.5Å; S421-H430 PolarHBondContact O-N 3.01Å; M428-H430 WeakPolarHBondContact CB-NE2 3.34Å |
| 431 | V | 96 | Very high | 87.2 | Confident | 0 Ų | 0 | 40 Ų | 40 | 0% | 0 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.3 | 123.7 | 168.2 | 178.9 | 0 | 0 | 0 | 0 | 108.5 | L10 Q11 W24 L34 F64 L74 L418 M419 A420 | L10-V431 WeakPolarHBondContact CA-O 3.4Å; L10-V431 WeakPolarHBondContact CB-O 3.31Å; L10-V431 HydrophobicContact CD1-CG1 4.48Å; L10-V431 PolarHBondContact N-O 2.98Å; Q11-V431 PolarHBondContact N-O 2.75Å; Q11-V431 VanDerWaalsContact N-O 3.07Å; Q11-V431 PolarHBondContact O-N 3.26Å; W24-V431 HydrophobicContact CZ2-CG1 4.42Å; L34-V431 HydrophobicContact CD2-CG2 4.22Å; F64-V431 HydrophobicContact CD2-CG1 4.21Å; F64-V431 HydrophobicContact CE2-CG1 4.02Å; L74-V431 HydrophobicContact CD1-CG2 4.48Å; L74-V431 HydrophobicContact CD2-CG2 3.96Å; L418-V431 HydrophobicContact CD1-CG1 3.7Å; M419-V431 WeakPolarHBondContact O-CA 3.06Å; A420-V431 HydrophobicContact CB-CG2 4.45Å |
| 432 | W | 94.3 | Very high | 84.4 | Confident | 2 Ų | 2 | 42.9 Ų | 42.9 | 1% | 0.008 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -144 | 157.9 | -170.4 | 55.2 | -76.9 | 0 | 0 | 0 | 112.7 | T7 R8 F298 I300 Y320 M419 S421 W434 | T7-W432 HydrophobicContact CG2-CE3 4.11Å; T7-W432 HydrophobicContact CG2-CZ3 3.78Å; R8-W432 CarbonylContact O-C 3.55Å; R8-W432 WeakPolarHBondContact O-CA 3.41Å; R8-W432 WeakPolarHBondContact O-CB 3.46Å; F298-W432 HydrophobicContact CB-CZ2 4.38Å; I300-W432 HydrophobicContact CD1-CH2 4.13Å; I300-W432 HydrophobicContact CD1-CZ3 4.28Å; Y320-W432 HydrophobicContact CD1-CD2 4.08Å; Y320-W432 AromaticContact CD1-CE2 3.76Å; Y320-W432 HydrophobicContact CD1-CG 4.33Å; Y320-W432 HydrophobicContact CD1-CZ2 4.11Å; Y320-W432 AromaticContact CD1-NE1 3.8Å; Y320-W432 HydrophobicContact CD2-CD2 4.21Å; Y320-W432 HydrophobicContact CD2-CE3 4.19Å; Y320-W432 AromaticContact CE1-CD1 3.84Å; Y320-W432 HydrophobicContact CE1-CD2 4.34Å; Y320-W432 HydrophobicContact CE1-CG 4.1Å; Y320-W432 AromaticContact CE1-NE1 3.91Å; Y320-W432 HydrophobicContact CE2-CB 4.33Å; Y320-W432 HydrophobicContact CE2-CD2 4.47Å; Y320-W432 HydrophobicContact CE2-CG 4.33Å; Y320-W432 HydrophobicContact CG-CD2 4.01Å; Y320-W432 AromaticContact CG-CE2 3.98Å; Y320-W432 HydrophobicContact CG-CE3 4.16Å; Y320-W432 HydrophobicContact CG-CH2 4.29Å; Y320-W432 HydrophobicContact CG-CZ2 4.13Å; Y320-W432 HydrophobicContact CG-CZ3 4.3Å; M419-W432 HydrophobicContact CB-CD2 4.15Å; M419-W432 HydrophobicContact CB-CZ2 4.18Å; M419-W432 HydrophobicContact CE-CD2 4.28Å; M419-W432 HydrophobicContact CE-CE3 3.7Å; M419-W432 HydrophobicContact CE-CH2 3.55Å; M419-W432 HydrophobicContact CE-CZ2 4.14Å; M419-W432 HydrophobicContact CE-CZ3 3.3Å; M419-W432 PolarHBondContact N-O 3.35Å; M419-W432 PolarHBondContact O-N 3.26Å; M419-W432 HydrophobicContact SD-CH2 3.54Å; M419-W432 VanDerWaalsContact SD-CH2 3.54Å; M419-W432 HydrophobicContact SD-CZ2 3.75Å; M419-W432 HydrophobicContact SD-CZ3 3.97Å; S421-W432 PolarHBondContact OG-NE1 2.81Å; W432-W434 HydrophobicContact CE3-CB 4.46Å; W432-W434 HydrophobicContact CZ3-CB 4.14Å |
| 433 | R | 93.6 | Very high | 81.4 | Confident | 31 Ų | 31 | 46.9 Ų | 46.9 | 12% | 0.117 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.4 | 143.4 | 176.5 | 175.7 | 176.2 | 171.4 | 172.1 | -5.7 | 110.2 | T7 R8 L10 L337 E339 S416 C417 D435 | T7-R433 CarbonylContact C-O 3.43Å; T7-R433 WeakPolarHBondContact CA-O 3.18Å; R8-R433 PolarHBondContact N-O 3.47Å; R8-R433 PolarHBondContact O-N 2.6Å; L10-R433 HydrophobicContact CD1-CB 4.14Å; L10-R433 HydrophobicContact CD2-CB 4.18Å; L10-R433 HydrophobicContact CG-CB 4.22Å; L337-R433 HydrophobicContact CD1-CB 4.36Å; L337-R433 HydrophobicContact CD1-CG 3.83Å; E339-R433 IonicContact OE1-NH1 2.84Å; E339-R433 IonicContact OE2-CZ 2.73Å; E339-R433 IonicContact OE2-NH1 2.71Å; E339-R433 PolarHBondContact OE2-NH1 2.98Å; E339-R433 IonicContact OE2-NH2 3.73Å; E339-R433 PolarHBondContact OE2-NH2 3.29Å; S416-R433 PolarHBondContact OG-NE 2.64Å; S416-R433 PolarHBondContact OG-NH2 3.1Å; C417-R433 CarbonylContact O-C 3.41Å; C417-R433 VanDerWaalsContact O-CA 3.29Å; C417-R433 WeakPolarHBondContact O-CA 3.05Å; R433-D435 IonicContact CZ-OD1 2.66Å; R433-D435 IonicContact NE-OD1 3.75Å; R433-D435 PolarHBondContact NE-OD1 3.31Å; R433-D435 IonicContact NE-OD2 3.2Å; R433-D435 IonicContact NH2-OD1 3.97Å; R433-D435 PolarHBondContact NH2-OD1 3.1Å |
| 434 | W | 94.7 | Very high | 78.8 | Confident | 0 Ų | 0 | 53 Ų | 53 | 0% | 0 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.1 | 119.5 | 169.7 | 177 | 74 | 0 | 0 | 0 | 109.9 | R6 L288 I300 L317 A318 W332 V415 S416 C417 M419 W432 W436 | R6-W434 WeakPolarHBondContact O-CA 3.18Å; L288-W434 HydrophobicContact CD1-CH2 3.81Å; L288-W434 HydrophobicContact CD1-CZ3 3.75Å; L288-W434 HydrophobicContact CD2-CH2 4.1Å; I300-W434 HydrophobicContact CB-CZ2 4.44Å; I300-W434 HydrophobicContact CD1-CB 4.32Å; I300-W434 HydrophobicContact CD1-CD2 3.53Å; I300-W434 HydrophobicContact CD1-CE3 4.02Å; I300-W434 HydrophobicContact CD1-CG 3.7Å; I300-W434 HydrophobicContact CD1-CZ2 4.13Å; I300-W434 HydrophobicContact CG2-CH2 3.83Å; I300-W434 HydrophobicContact CG2-CZ2 3.83Å; I300-W434 HydrophobicContact CG2-CZ3 4.4Å; L317-W434 HydrophobicContact CB-CZ2 4.12Å; L317-W434 HydrophobicContact CD1-CH2 4Å; L317-W434 HydrophobicContact CD1-CZ2 3.94Å; A318-W434 VanDerWaalsContact CB-NE1 3.3Å; W332-W434 HydrophobicContact CH2-CE3 4.44Å; W332-W434 HydrophobicContact CH2-CZ3 4.34Å; W332-W434 HydrophobicContact CZ3-CE3 4.21Å; W332-W434 HydrophobicContact CZ3-CZ3 4.44Å; V415-W434 HydrophobicContact CG1-CZ3 4.2Å; S416-W434 WeakPolarHBondContact CA-O 3.21Å; C417-W434 HydrophobicContact CB-CE3 4.2Å; C417-W434 PolarHBondContact N-O 3.28Å; C417-W434 PolarHBondContact O-N 2.79Å; M419-W434 HydrophobicContact CE-CB 3.32Å; M419-W434 HydrophobicContact CE-CG 4.18Å; W432-W434 HydrophobicContact CE3-CB 4.46Å; W432-W434 HydrophobicContact CZ3-CB 4.14Å; W434-W436 HydrophobicContact CD2-CB 4.28Å; W434-W436 HydrophobicContact CE3-CB 4.26Å; W434-W436 HydrophobicContact CH2-CB 3.53Å; W434-W436 HydrophobicContact CH2-CD2 4.02Å; W434-W436 HydrophobicContact CH2-CE3 4.15Å; W434-W436 AromaticContact CH2-CG 3.78Å; W434-W436 HydrophobicContact CH2-CG 3.78Å; W434-W436 HydrophobicContact CZ2-CB 3.53Å; W434-W436 HydrophobicContact CZ2-CD2 4.43Å; W434-W436 AromaticContact CZ2-CG 3.8Å; W434-W436 HydrophobicContact CZ2-CG 3.8Å; W434-W436 HydrophobicContact CZ3-CB 3.9Å |
| 435 | D | 92.6 | Very high | 76 | Confident | 26 Ų | 26 | 55.9 Ų | 55.9 | 14% | 0.139 | 34% | 0.335 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.9 | 135.9 | 169.3 | -46.3 | -73.8 | 0 | 0 | 0 | 109 | S5 R6 R8 V415 R433 | S5-D435 CarbonylContact C-O 3.59Å; S5-D435 VanDerWaalsContact CA-O 3.3Å; S5-D435 WeakPolarHBondContact CA-O 3.32Å; R6-D435 HydrophobicContact CB-CB 4.32Å; R6-D435 PolarHBondContact N-O 3.02Å; R6-D435 PolarHBondContact O-N 3.19Å; R8-D435 IonicContact CZ-OD2 2.94Å; R8-D435 IonicContact NE-OD2 3.88Å; R8-D435 PolarHBondContact NE-OD2 3.37Å; R8-D435 IonicContact NH2-OD1 2.7Å; R8-D435 PolarHBondContact NH2-OD1 2.96Å; R8-D435 IonicContact NH2-OD2 2.95Å; R8-D435 PolarHBondContact NH2-OD2 3.33Å; V415-D435 CarbonylContact O-C 3.51Å; V415-D435 WeakPolarHBondContact O-CA 3.22Å; R433-D435 IonicContact CZ-OD1 2.66Å; R433-D435 IonicContact NE-OD1 3.75Å; R433-D435 PolarHBondContact NE-OD1 3.31Å; R433-D435 IonicContact NE-OD2 3.2Å; R433-D435 IonicContact NH2-OD1 3.97Å; R433-D435 PolarHBondContact NH2-OD1 3.1Å |
| 436 | W | 90.6 | Very high | 73.2 | Confident | 26 Ų | 26 | 55.1 Ų | 55.1 | 10% | 0.098 | 35% | 0.346 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.6 | 130 | 172.4 | 174.3 | 63.7 | 0 | 0 | 0 | 111.1 | L288 L317 V415 W434 P438 | L288-W436 HydrophobicContact CD1-CE3 4.37Å; L288-W436 HydrophobicContact CD1-CZ3 4.36Å; L317-W436 HydrophobicContact CD1-CD2 4.3Å; L317-W436 HydrophobicContact CD1-CZ2 4.14Å; V415-W436 HydrophobicContact CB-CB 4.47Å; V415-W436 HydrophobicContact CB-CE3 4.04Å; V415-W436 HydrophobicContact CG2-CE3 3.73Å; V415-W436 HydrophobicContact CG2-CZ3 4.12Å; V415-W436 PolarHBondContact N-O 2.75Å; V415-W436 PolarHBondContact O-N 3.49Å; W434-W436 HydrophobicContact CD2-CB 4.28Å; W434-W436 HydrophobicContact CE3-CB 4.26Å; W434-W436 HydrophobicContact CH2-CB 3.53Å; W434-W436 HydrophobicContact CH2-CD2 4.02Å; W434-W436 HydrophobicContact CH2-CE3 4.15Å; W434-W436 AromaticContact CH2-CG 3.78Å; W434-W436 HydrophobicContact CH2-CG 3.78Å; W434-W436 HydrophobicContact CZ2-CB 3.53Å; W434-W436 HydrophobicContact CZ2-CD2 4.43Å; W434-W436 AromaticContact CZ2-CG 3.8Å; W434-W436 HydrophobicContact CZ2-CG 3.8Å; W434-W436 HydrophobicContact CZ3-CB 3.9Å; W436-P438 HydrophobicContact CE3-CG 4.31Å; W436-P438 HydrophobicContact CH2-CB 4.49Å; W436-P438 HydrophobicContact CH2-CG 3.97Å; W436-P438 HydrophobicContact CZ2-CG 4.34Å; W436-P438 HydrophobicContact CZ3-CG 3.95Å |
| 437 | T | 86.4 | Confident | 70.4 | Confident | 62 Ų | 62 | 57.4 Ų | 57.4 | 38% | 0.38 | 37% | 0.373 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109 | 119 | 171.5 | 60.4 | 0 | 0 | 0 | 0 | 109.7 | K4 A414 | K4-T437 PolarHBondContact O-N 3.22Å; K4-T437 VanDerWaalsContact O-N 3.08Å; A414-T437 HydrophobicContact CB-CG2 3.95Å |
| 438 | P | 71.3 | Confident | 67.3 | Low | 35 Ų | 35 | 64 Ų | 64 | 23% | 0.227 | 40% | 0.404 | C | S | . | . | trans | -53.8 | 142.3 | 162.6 | -21.4 | 32.7 | 0 | 0 | 0 | 110 | P413 W436 | P413-P438 WeakPolarHBondContact O-CD 3.36Å; W436-P438 HydrophobicContact CE3-CG 4.31Å; W436-P438 HydrophobicContact CH2-CB 4.49Å; W436-P438 HydrophobicContact CH2-CG 3.97Å; W436-P438 HydrophobicContact CZ2-CG 4.34Å; W436-P438 HydrophobicContact CZ3-CG 3.95Å | ||
| 439 | Q | 68.3 | Low | 64.2 | Low | 120 Ų | 120 | 65.3 Ų | 65.3 | 56% | 0.561 | 43% | 0.43 | S | S | * | . | trans | -87.7 | 115.9 | 176.7 | -177.4 | 175.4 | 4.3 | 0 | 0 | 109.8 | ||||
| 440 | E | 53.2 | Low | 60.9 | Low | 98 Ų | 98 | 75 Ų | 75 | 46% | 0.458 | 48% | 0.475 | S | S | . | . | trans | -60.7 | 139.6 | 168.4 | -74.4 | 168.8 | -166.5 | 0 | 0 | 111.8 | D411 S412 G442 | D411-E440 WeakPolarHBondContact CA-OE1 3.48Å; S412-E440 PolarHBondContact N-OE1 2.69Å; E440-G442 PolarHBondContact O-N 3.23Å | ||
| 441 | A | 43.1 | Very low | 57.6 | Low | 94 Ų | 94 | 77.9 Ų | 77.9 | 78% | 0.777 | 51% | 0.508 | S | S | * | . | trans | -75 | 68.8 | 171.5 | 0 | 0 | 0 | 0 | 0 | 110.5 | C443 | A441-C443 PolarHBondContact O-N 3.27Š| ||
| 442 | G | 38.9 | Very low | 54.4 | Low | 60 Ų | 60 | 87.4 Ų | 87.4 | 62% | 0.619 | 55% | 0.553 | S | S | * | * | trans | -56.6 | 115.5 | -168.3 | 0 | 0 | 0 | 0 | 0 | 114.2 | E440 T444 | E440-G442 PolarHBondContact O-N 3.23Å; G442-T444 PolarHBondContact O-N 3.45Å | ||
| 443 | C | 34.3 | Very low | 51.3 | Low | 84 Ų | 84 | 98.8 Ų | 98.8 | 57% | 0.568 | 60% | 0.595 | S | S | * | * | P | Polyproline II helix | trans | -74.6 | 119.1 | 166.3 | 39.1 | 0 | 0 | 0 | 0 | 110.6 | N407 A441 | N407-C443 WeakPolarHBondContact ND2-CB 3.43Å; A441-C443 PolarHBondContact O-N 3.27Å |
| 444 | T | 39.4 | Very low | 48.3 | Very low | 130 Ų | 130 | 109.5 Ų | 109.5 | 80% | 0.798 | 64% | 0.636 | S | S | * | * | P | Polyproline II helix | trans | -82.8 | 118.2 | 175.2 | 42.1 | 0 | 0 | 0 | 0 | 111 | G442 | G442-T444 PolarHBondContact O-N 3.45Š|
| 445 | G | 32.1 | Very low | 45.2 | Very low | 82 Ų | 82 | 114 Ų | 114 | 85% | 0.845 | 67% | 0.673 | S | S | * | * | P | Polyproline II helix | trans | -70.8 | 128.5 | 173.3 | 0 | 0 | 0 | 0 | 0 | 111.7 | ||
| 446 | T | 33.3 | Very low | 42.3 | Very low | 133 Ų | 133 | 120 Ų | 120 | 82% | 0.816 | 71% | 0.71 | S | S | * | * | trans | -91.7 | 112.4 | 178.2 | 39.2 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 447 | A | 31.3 | Very low | 39.4 | Very low | 104 Ų | 104 | 122 Ų | 122 | 86% | 0.86 | 74% | 0.739 | S | S | * | * | trans | -74.4 | 129.4 | 162.9 | 0 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 448 | Q | 30.8 | Very low | 36.8 | Very low | 196 Ų | 196 | 129.1 Ų | 129.1 | 92% | 0.916 | 77% | 0.768 | S | S | * | * | trans | -84.1 | 143 | 177.7 | -70.2 | -178.8 | -33.7 | 0 | 0 | 111.6 | ||||
| 449 | G | 29.7 | Very low | 34.9 | Very low | 76 Ų | 76 | 131.2 Ų | 131.2 | 78% | 0.784 | 80% | 0.796 | S | S | * | * | trans | -143.1 | 142.5 | 167 | 0 | 0 | 0 | 0 | 0 | 109 | ||||
| 450 | E | 28.9 | Very low | 33.2 | Very low | 204 Ų | 204 | 133.6 Ų | 133.6 | 95% | 0.953 | 81% | 0.812 | S | S | * | * | trans | -99.9 | 162.6 | -166 | -58.5 | -176.6 | 113.7 | 0 | 0 | 114.2 | ||||
| 451 | G | 27.3 | Very low | 32.1 | Very low | 72 Ų | 72 | 132.1 Ų | 132.1 | 74% | 0.742 | 82% | 0.824 | S | S | * | * | trans | 95.5 | 143.6 | 171.2 | 0 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 452 | E | 28.8 | Very low | 31.5 | Very low | 201 Ų | 201 | 131.5 Ų | 131.5 | 94% | 0.939 | 83% | 0.826 | S | S | * | * | cis | -143.1 | 167.9 | -7.2 | -79.5 | -163.5 | 102.7 | 0 | 0 | 110.3 | ||||
| 453 | R | 29.3 | Very low | 31.2 | Very low | 240 Ų | 240 | 138 Ų | 138 | 91% | 0.906 | 84% | 0.84 | S | S | * | * | trans | -90.7 | 142 | 176.3 | -63.1 | 179.2 | 179.3 | -176.8 | -0.1 | 112.2 | ||||
| 454 | R | 29.2 | Very low | 31.1 | Very low | 257 Ų | 257 | 138.3 Ų | 138.3 | 97% | 0.97 | 85% | 0.85 | S | S | * | * | trans | -152.6 | 164.7 | 141.9 | -109.5 | 160.8 | -163.5 | -160.8 | 3.4 | 111 | ||||
| 455 | A | 30 | Very low | 30.8 | Very low | 93 Ų | 93 | 139.2 Ų | 139.2 | 77% | 0.769 | 85% | 0.854 | S | S | * | * | trans | -125.5 | -158.3 | -160.6 | 0 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 456 | V | 31.8 | Very low | 30.8 | Very low | 154 Ų | 154 | 139.5 Ų | 139.5 | 93% | 0.933 | 85% | 0.849 | S | S | * | * | trans | 84.1 | 131.3 | -169.9 | -171.4 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 457 | G | 30.5 | Very low | 31.1 | Very low | 68 Ų | 68 | 138.8 Ų | 138.8 | 70% | 0.701 | 85% | 0.847 | S | S | * | * | cis | -171.4 | 170 | -2.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 458 | E | 31.8 | Very low | 31.1 | Very low | 210 Ų | 210 | 137.7 Ų | 137.7 | 98% | 0.981 | 84% | 0.837 | S | S | * | * | trans | -81 | 155.9 | -175.8 | -64.4 | 169.9 | 122.4 | 0 | 0 | 113.3 | ||||
| 459 | G | 31.5 | Very low | 31.1 | Very low | 80 Ų | 80 | 137.5 Ų | 137.5 | 83% | 0.825 | 83% | 0.833 | S | S | * | * | trans | -159.4 | 136.3 | 172.3 | 0 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 460 | D | 32.5 | Very low | 31.1 | Very low | 169 Ų | 169 | 144.7 Ų | 144.7 | 90% | 0.904 | 84% | 0.838 | S | S | * | * | trans | -120.7 | 160.3 | -158.5 | 179.9 | 38.9 | 0 | 0 | 0 | 114.2 | ||||
| 461 | G | 30.6 | Very low | 31.2 | Very low | 67 Ų | 67 | 139.1 Ų | 139.1 | 69% | 0.691 | 83% | 0.828 | S | S | * | * | trans | 92.5 | 120.9 | 151.3 | 0 | 0 | 0 | 0 | 0 | 118.5 | ||||
| 462 | G | 30.5 | Very low | 31.5 | Very low | 81 Ų | 81 | 145.5 Ų | 145.5 | 84% | 0.835 | 84% | 0.835 | S | S | * | * | trans | 175.7 | 106.9 | 166.5 | 0 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 463 | Q | 31.3 | Very low | 31.4 | Very low | 196 Ų | 196 | 141.9 Ų | 141.9 | 92% | 0.916 | 83% | 0.831 | S | S | * | * | trans | -78.5 | 129.4 | 173 | -70.5 | 169.7 | -12.6 | 0 | 0 | 109.8 | ||||
| 464 | A | 33.1 | Very low | 31.8 | Very low | 92 Ų | 92 | 136.3 Ų | 136.3 | 76% | 0.76 | 82% | 0.823 | S | S | * | * | 71.4 | 120 | 67.7 | 0 | 0 | 0 | 0 | 0 | 115 | |||||
| 465 | V | 31.6 | Very low | 32.1 | Very low | 148 Ų | 148 | 131.2 Ų | 131.2 | 90% | 0.897 | 82% | 0.821 | S | S | * | * | trans | -176 | 148.2 | 151.7 | 138 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 466 | A | 32.8 | Very low | 32.4 | Very low | 88 Ų | 88 | 137.6 Ų | 137.6 | 73% | 0.727 | 83% | 0.825 | S | S | * | * | trans | -131.6 | 162.3 | 167.6 | 0 | 0 | 0 | 0 | 0 | 109 | ||||
| 467 | P | 40.2 | Very low | 32.8 | Very low | 119 Ų | 119 | 140.8 Ų | 140.8 | 77% | 0.773 | 82% | 0.82 | S | S | * | * | -158.6 | 151 | 100.4 | 39.8 | -20.4 | 0 | 0 | 0 | 119.2 | |||||
| 468 | A | 30.9 | Very low | 33.3 | Very low | 80 Ų | 80 | 150 Ų | 150 | 66% | 0.661 | 85% | 0.845 | S | S | * | * | 53.1 | 122.3 | 128.4 | 0 | 0 | 0 | 0 | 0 | 125.4 | |||||
| 469 | K | 31.3 | Very low | 33.4 | Very low | 192 Ų | 192 | 147.1 Ų | 147.1 | 84% | 0.835 | 84% | 0.839 | S | S | * | * | 69.1 | 137.4 | 124.3 | -65.8 | 176.6 | -178.9 | 178.4 | 0 | 122.3 | |||||
| 470 | Y | 30 | Very low | 33.5 | Very low | 227 Ų | 227 | 150.6 Ų | 150.6 | 89% | 0.89 | 84% | 0.839 | S | S | * | * | trans | 151.2 | 118.5 | 135.2 | -88.6 | -73.1 | 0 | 0 | 0 | 106.6 | ||||
| 471 | A | 31.1 | Very low | 33.5 | Very low | 88 Ų | 88 | 149.6 Ų | 149.6 | 73% | 0.727 | 84% | 0.836 | S | S | * | * | cis | 96 | 104.5 | 29.5 | 0 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 472 | K | 32 | Very low | 33.7 | Very low | 206 Ų | 206 | 154.4 Ų | 154.4 | 90% | 0.896 | 84% | 0.844 | S | S | * | * | trans | 24.6 | 133 | 159.1 | -62.6 | -177.3 | 179.1 | -178 | 0 | 120.1 | ||||
| 473 | C | 27.9 | Very low | 33.9 | Very low | 125 Ų | 125 | 159 Ų | 159 | 85% | 0.845 | 85% | 0.845 | S | S | * | * | -144.6 | 160.2 | 128.7 | -155.7 | 0 | 0 | 0 | 0 | 111.7 | |||||
| 474 | T | 37.6 | Very low | 34.1 | Very low | 122 Ų | 122 | 156.5 Ų | 156.5 | 75% | 0.748 | 84% | 0.84 | S | S | * | * | trans | -131 | 139.7 | -179.7 | 50.4 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 475 | T | 35.8 | Very low | 34.1 | Very low | 151 Ų | 151 | 161.1 Ų | 161.1 | 93% | 0.926 | 85% | 0.846 | S | S | * | * | trans | -146.8 | 170.9 | 159.5 | -0 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 476 | R | 35.3 | Very low | 34.3 | Very low | 227 Ų | 227 | 162.2 Ų | 162.2 | 86% | 0.857 | 84% | 0.842 | S | S | * | * | trans | -153.1 | 158 | -160.5 | -178.2 | -172.2 | -175.8 | -166.7 | 4.8 | 108.3 | ||||
| 477 | R | 40 | Very low | 34.5 | Very low | 220 Ų | 220 | 168.3 Ų | 168.3 | 83% | 0.83 | 85% | 0.851 | S | S | * | * | trans | 83.3 | 153.5 | -177.9 | -58.7 | -179 | 173.7 | 171.7 | -3 | 113.3 | ||||
| 478 | E | 41.1 | Very low | 33.9 | Very low | 263 Ų | 263 | 172.8 Ų | 172.8 | 100% | 1.229 | 86% | 0.859 | S | S | * | * | cis | -96.1 | 0 | 0.9 | -71.7 | -178.5 | 141.4 | 0 | 0 | 113.6 |
Retrieved 478 of 478 residues in 126.8 ms
(Link to these results)