| 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 | 86.6 | Confident | 92.1 | Very high | 72 Ų | 72 | 59.4 Ų | 59.4 | 36% | 0.355 | 31% | 0.308 | S | S | . | . | 0 | 127.8 | 0 | -177.6 | -173.8 | -175.3 | 0 | 0 | 108.2 | V321 I323 L355 D356 F357 E361 | M1-V321 HydrophobicContact CE-CG1 4.44Å; M1-V321 HydrophobicContact SD-CB 4.49Å; M1-V321 HydrophobicContact SD-CG1 4.08Å; M1-V321 HydrophobicContact SD-CG2 4.14Å; M1-I323 HydrophobicContact CE-CD1 3.76Å; M1-L355 HydrophobicContact CE-CB 3.96Å; M1-L355 HydrophobicContact CE-CD2 3.32Å; M1-L355 HydrophobicContact CE-CG 3.57Å; M1-D356 CarbonylContact C-O 3.53Å; M1-D356 WeakPolarHBondContact CA-O 3.35Å; M1-F357 HydrophobicContact CB-CD1 4.18Å; M1-F357 HydrophobicContact CB-CE1 4.38Å; M1-F357 HydrophobicContact CE-CE1 3.79Å; M1-F357 HydrophobicContact CE-CE2 4.2Å; M1-F357 HydrophobicContact CE-CZ 3.49Å; M1-F357 VanDerWaalsContact CE-CZ 3.49Å; M1-F357 HydrophobicContact CG-CD1 3.97Å; M1-F357 HydrophobicContact CG-CE1 3.84Å; M1-F357 HydrophobicContact CG-CZ 4.35Å; M1-F357 HydrophobicContact SD-CD1 4.23Å; M1-F357 HydrophobicContact SD-CE1 3.51Å; M1-F357 VanDerWaalsContact SD-CE1 3.51Å; M1-F357 HydrophobicContact SD-CZ 3.9Å; M1-E361 VanDerWaalsContact CA-OE2 3.28Å; M1-E361 WeakPolarHBondContact CA-OE2 3.3Å; M1-E361 WeakPolarHBondContact CB-OE1 3.49Å; M1-E361 PolarHBondContact N-OE1 3.19Å; M1-E361 PolarHBondContact N-OE2 3.47Å | |||
| 2 | K | 92.7 | Very high | 91.6 | Very high | 135 Ų | 135 | 64 Ų | 64 | 59% | 0.587 | 33% | 0.333 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -107.2 | 151.9 | 167.1 | -50.4 | 170.3 | -169.7 | 148.2 | 0 | 109.1 | D356 | K2-D356 HydrophobicContact CB-CB 4.12Å; K2-D356 PolarHBondContact N-O 2.89Å; K2-D356 IonicContact NZ-OD2 3.71Å; K2-D356 PolarHBondContact NZ-OD2 3.02Å; K2-D356 PolarHBondContact O-N 2.94Å |
| 3 | L | 94.5 | Very high | 91.2 | Very high | 85 Ų | 85 | 62.9 Ų | 62.9 | 45% | 0.445 | 35% | 0.347 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.2 | 126.3 | 174.6 | 174 | 62.1 | 0 | 0 | 0 | 108.4 | I323 L326 A353 L355 | L3-I323 HydrophobicContact CD2-CD1 4.5Å; L3-L326 HydrophobicContact CD1-CD1 3.83Å; L3-L326 HydrophobicContact CD2-CD1 3.85Å; L3-L326 HydrophobicContact CG-CD1 4.45Å; L3-A353 HydrophobicContact CD1-CB 4.19Å; L3-L355 HydrophobicContact CD1-CD1 3.52Å; L3-L355 HydrophobicContact CD1-CG 3.97Å |
| 4 | L | 94.6 | Very high | 91.4 | Very high | 71 Ų | 71 | 63.4 Ų | 63.4 | 37% | 0.372 | 34% | 0.344 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.4 | 135.5 | -177 | -71.6 | 148 | 0 | 0 | 0 | 108.4 | A353 Y354 | L4-A353 CarbonylContact O-C 3.58Å; L4-A353 WeakPolarHBondContact O-CA 3.39Å; L4-Y354 HydrophobicContact CD1-CD1 3.99Å; L4-Y354 PolarHBondContact N-O 2.99Å; L4-Y354 PolarHBondContact O-N 2.79Å |
| 5 | K | 94.1 | Very high | 91.7 | Very high | 90 Ų | 90 | 61 Ų | 61 | 39% | 0.391 | 33% | 0.333 | S | S | . | . | trans | -127.6 | 85.5 | 180 | -160.4 | 173.6 | -176.7 | 172.3 | 0 | 109.7 | S7 L326 T351 V352 A353 | K5-S7 PolarHBondContact O-N 3.38Å; K5-L326 PolarHBondContact NZ-O 3.05Å; K5-T351 WeakPolarHBondContact CE-OG1 2.98Å; K5-V352 WeakPolarHBondContact CG-O 3.39Å; K5-A353 HydrophobicContact CG-CB 4.38Å | ||
| 6 | P | 94.2 | Very high | 92.1 | Very high | 9 Ų | 9 | 57.2 Ų | 57.2 | 6% | 0.058 | 31% | 0.312 | C | S | . | . | trans | -67.9 | 106.2 | -172 | 27.2 | -35 | 0 | 0 | 0 | 111 | W8 V9 V48 V352 | P6-W8 HydrophobicContact CB-CD2 4.34Å; P6-W8 HydrophobicContact CB-CZ2 3.92Å; P6-W8 PolarHBondContact O-N 3.03Å; P6-W8 VanDerWaalsContact O-N 3.14Å; P6-V9 HydrophobicContact CB-CG2 3.95Å; P6-V9 HydrophobicContact CG-CB 4.31Å; P6-V9 HydrophobicContact CG-CG2 3.72Å; P6-V9 PolarHBondContact O-N 3.19Å; P6-V9 VanDerWaalsContact O-N 3.08Å; P6-V48 HydrophobicContact CB-CG2 4.37Å; P6-V48 HydrophobicContact CG-CG1 4.21Å; P6-V48 HydrophobicContact CG-CG2 4.2Å; P6-V352 HydrophobicContact CG-CG2 3.94Å | ||
| 7 | S | 90.4 | Very high | 92.5 | Very high | 107 Ų | 107 | 54.8 Ų | 54.8 | 75% | 0.748 | 30% | 0.298 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.7 | -18.6 | -172.7 | 57 | 0 | 0 | 0 | 0 | 114.6 | K5 | K5-S7 PolarHBondContact O-N 3.38Š|
| 8 | W | 92.2 | Very high | 92.8 | Very high | 48 Ų | 48 | 51.8 Ų | 51.8 | 18% | 0.182 | 28% | 0.282 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -84 | -12.2 | 176.7 | 51.6 | -93 | 0 | 0 | 0 | 114 | P6 S10 W43 P47 V48 E54 K61 | P6-W8 HydrophobicContact CB-CD2 4.34Å; P6-W8 HydrophobicContact CB-CZ2 3.92Å; P6-W8 PolarHBondContact O-N 3.03Å; P6-W8 VanDerWaalsContact O-N 3.14Å; W8-S10 PolarHBondContact O-N 3.11Å; W8-W43 AromaticContact CE3-CE3 3.99Å; W8-W43 HydrophobicContact CE3-CE3 3.99Å; W8-W43 HydrophobicContact CE3-CZ3 4.21Å; W8-W43 HydrophobicContact CZ3-CB 4.49Å; W8-W43 AromaticContact CZ3-CE3 3.82Å; W8-W43 HydrophobicContact CZ3-CE3 3.82Å; W8-W43 HydrophobicContact CZ3-CZ3 4.49Å; W8-P47 HydrophobicContact CH2-CB 4.12Å; W8-P47 HydrophobicContact CZ2-CB 3.73Å; W8-V48 HydrophobicContact CH2-CG2 3.58Å; W8-V48 HydrophobicContact CZ2-CG2 3.58Å; W8-E54 PolarHBondContact NE1-OE1 3.24Å; W8-K61 HydrophobicContact CB-CD 4.5Å; W8-K61 HydrophobicContact CD2-CB 4.09Å; W8-K61 HydrophobicContact CD2-CD 3.76Å; W8-K61 HydrophobicContact CD2-CG 4.35Å; W8-K61 HydrophobicContact CE3-CB 3.67Å; W8-K61 HydrophobicContact CE3-CD 4.25Å; W8-K61 HydrophobicContact CE3-CG 4.41Å; W8-K61 HydrophobicContact CG-CD 3.86Å; W8-K61 HydrophobicContact CH2-CB 4.18Å; W8-K61 HydrophobicContact CZ2-CD 4.47Å; W8-K61 HydrophobicContact CZ3-CB 3.72Å |
| 9 | V | 94.4 | Very high | 93.1 | Very high | 0 Ų | 0 | 49.1 Ų | 49.1 | 0% | 0 | 27% | 0.267 | C | S | . | . | trans | -84.1 | 92.1 | 172.5 | -176.1 | 0 | 0 | 0 | 0 | 108.4 | P6 F28 W43 V352 | P6-V9 HydrophobicContact CB-CG2 3.95Å; P6-V9 HydrophobicContact CG-CB 4.31Å; P6-V9 HydrophobicContact CG-CG2 3.72Å; P6-V9 PolarHBondContact O-N 3.19Å; P6-V9 VanDerWaalsContact O-N 3.08Å; V9-F28 HydrophobicContact CG1-CE2 4.05Å; V9-F28 HydrophobicContact CG1-CZ 4.32Å; V9-F28 HydrophobicContact CG2-CE2 4.43Å; V9-F28 HydrophobicContact CG2-CZ 3.87Å; V9-W43 HydrophobicContact CG1-CD2 4.23Å; V9-W43 HydrophobicContact CG1-CZ2 4.18Å; V9-V352 HydrophobicContact CB-CG2 3.83Å; V9-V352 HydrophobicContact CG1-CB 4.38Å; V9-V352 HydrophobicContact CG1-CG1 3.89Å; V9-V352 HydrophobicContact CG1-CG2 3.6Å; V9-V352 HydrophobicContact CG2-CG2 4.16Å | ||
| 10 | S | 89.6 | Confident | 93.4 | Very high | 34 Ų | 34 | 47.6 Ų | 47.6 | 24% | 0.238 | 26% | 0.259 | C | S | . | . | trans | -146.7 | 153.7 | 176.1 | -166 | 0 | 0 | 0 | 0 | 113.1 | W8 N12 G13 G350 | W8-S10 PolarHBondContact O-N 3.11Å; S10-N12 VanDerWaalsContact C-N 3.3Å; S10-N12 PolarHBondContact O-N 3.09Å; S10-G13 PolarHBondContact OG-N 2.99Å; S10-G350 VanDerWaalsContact CA-O 3.32Å; S10-G350 WeakPolarHBondContact CA-O 3.34Å; S10-G350 PolarHBondContact OG-O 3.21Å | ||
| 11 | H | 89.6 | Confident | 93.6 | Very high | 2 Ų | 2 | 45.8 Ų | 45.8 | 1% | 0.009 | 25% | 0.249 | C | C | . | . | B | Isolated β-bridge | trans | -95.3 | 48.9 | 168.2 | -75.4 | -150.6 | 0 | 0 | 0 | 110.1 | G13 K14 I16 T30 G32 K39 M41 | H11-G13 VanDerWaalsContact C-N 3.27Å; H11-G13 PolarHBondContact O-N 3.16Å; H11-K14 HydrophobicContact CB-CB 4.28Å; H11-K14 WeakPolarHBondContact O-CB 3.39Å; H11-K14 VanDerWaalsContact O-CG 3.31Å; H11-K14 WeakPolarHBondContact O-CG 3.37Å; H11-K14 PolarHBondContact O-N 2.89Å; H11-I16 HydrophobicContact CB-CG1 4.24Å; H11-T30 PolarHBondContact NE2-OG1 3.28Å; H11-G32 PolarHBondContact CE1-N 2.7Å; H11-K39 PolarHBondContact CE1-O 3.41Å; H11-M41 WeakPolarHBondContact NE2-CG 3.18Å |
| 12 | N | 86.6 | Confident | 94.1 | Very high | 115 Ų | 115 | 43.2 Ų | 43.2 | 62% | 0.615 | 24% | 0.236 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 54 | 39.2 | -175.1 | -60.7 | -14.7 | 0 | 0 | 0 | 113.3 | S10 K14 E35 K39 | S10-N12 VanDerWaalsContact C-N 3.3Å; S10-N12 PolarHBondContact O-N 3.09Å; N12-K14 PolarHBondContact O-N 3.41Å; N12-E35 PolarHBondContact ND2-OE1 3.48Å; N12-K39 PolarHBondContact ND2-NZ 3.08Å |
| 13 | G | 85.7 | Confident | 94.1 | Very high | 50 Ų | 50 | 38.1 Ų | 38.1 | 52% | 0.515 | 22% | 0.217 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 73.9 | 4.4 | -176.7 | 0 | 0 | 0 | 0 | 0 | 115.6 | S10 H11 | S10-G13 PolarHBondContact OG-N 2.99Å; H11-G13 VanDerWaalsContact C-N 3.27Å; H11-G13 PolarHBondContact O-N 3.16Å |
| 14 | K | 94.5 | Very high | 94 | Very high | 70 Ų | 70 | 38.5 Ų | 38.5 | 30% | 0.304 | 22% | 0.219 | S | C | . | . | B | Isolated β-bridge | trans | -80.8 | 154.5 | 169.1 | -56.5 | -79.6 | -173.4 | 127.1 | 0 | 110.3 | H11 N12 Q33 G34 E35 G350 | H11-K14 HydrophobicContact CB-CB 4.28Å; H11-K14 WeakPolarHBondContact O-CB 3.39Å; H11-K14 VanDerWaalsContact O-CG 3.31Å; H11-K14 WeakPolarHBondContact O-CG 3.37Å; H11-K14 PolarHBondContact O-N 2.89Å; N12-K14 PolarHBondContact O-N 3.41Å; K14-Q33 HydrophobicContact CB-CB 4.42Å; K14-Q33 WeakPolarHBondContact CB-O 3.38Å; K14-Q33 HydrophobicContact CD-CG 4.45Å; K14-G34 WeakPolarHBondContact CD-O 3.39Å; K14-G34 VanDerWaalsContact CE-O 3.24Å; K14-G34 WeakPolarHBondContact CE-O 3.27Å; K14-G34 WeakPolarHBondContact CG-O 3.06Å; K14-G34 PolarHBondContact NZ-O 2.75Å; K14-E35 PolarHBondContact NZ-O 2.76Å; K14-G350 WeakPolarHBondContact O-CA 3.37Å |
| 15 | P | 96.1 | Very high | 93.9 | Very high | 27 Ų | 27 | 36.2 Ų | 36.2 | 18% | 0.175 | 21% | 0.213 | C | C | . | . | P | Polyproline II helix | trans | -57.3 | 140.2 | -179 | -26.7 | 35.5 | 0 | 0 | 0 | 114.7 | F17 G32 Q33 M348 | P15-F17 HydrophobicContact CB-CD1 4.1Å; P15-F17 HydrophobicContact CB-CE1 3.47Å; P15-F17 VanDerWaalsContact CB-CE1 3.47Å; P15-F17 HydrophobicContact CB-CE2 4.19Å; P15-F17 HydrophobicContact CB-CZ 3.53Å; P15-F17 HydrophobicContact CG-CE1 4.25Å; P15-F17 HydrophobicContact CG-CZ 4.07Å; P15-G32 VanDerWaalsContact O-CA 3.32Å; P15-G32 WeakPolarHBondContact O-CA 3.39Å; P15-Q33 PolarHBondContact O-N 3.5Å; P15-Q33 VanDerWaalsContact O-N 3.1Å; P15-M348 HydrophobicContact CB-CG 4.07Å; P15-M348 HydrophobicContact CG-CG 4.18Å |
| 16 | I | 97.8 | Very high | 93.9 | Very high | 0 Ų | 0 | 35.4 Ų | 35.4 | 0% | 0 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.7 | 119.1 | 163 | -64.7 | 172.2 | 0 | 0 | 0 | 107.5 | H11 S18 T30 C346 S347 V352 | H11-I16 HydrophobicContact CB-CG1 4.24Å; I16-S18 WeakPolarHBondContact CG2-O 3.41Å; I16-T30 HydrophobicContact CG2-CG2 4.22Å; I16-C346 HydrophobicContact CB-CB 4.36Å; I16-C346 HydrophobicContact CG2-CB 3.69Å; I16-S347 PolarHBondContact N-O 3.23Å; I16-S347 CarbonylContact O-C 3.57Å; I16-S347 VanDerWaalsContact O-O 3.13Å; I16-V352 HydrophobicContact CD1-CG1 4.19Å |
| 17 | F | 98.3 | Very high | 94 | Very high | 17 Ų | 17 | 35.2 Ų | 35.2 | 8% | 0.075 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.8 | -20.5 | -176.3 | -60.3 | -53.9 | 0 | 0 | 0 | 113.2 | P15 G31 Q33 C72 H224 M332 M348 | P15-F17 HydrophobicContact CB-CD1 4.1Å; P15-F17 HydrophobicContact CB-CE1 3.47Å; P15-F17 VanDerWaalsContact CB-CE1 3.47Å; P15-F17 HydrophobicContact CB-CE2 4.19Å; P15-F17 HydrophobicContact CB-CZ 3.53Å; P15-F17 HydrophobicContact CG-CE1 4.25Å; P15-F17 HydrophobicContact CG-CZ 4.07Å; F17-G31 PolarHBondContact N-O 2.69Å; F17-Q33 HydrophobicContact CE2-CB 4.34Å; F17-C72 HydrophobicContact CD2-CB 4.43Å; F17-C72 HydrophobicContact CE2-CB 3.96Å; F17-H224 AromaticContact CD1-CD2 3.97Å; F17-H224 AromaticContact CD1-NE2 3.8Å; F17-H224 AromaticContact CE1-NE2 3.93Å; F17-M332 HydrophobicContact CD1-CE 4.23Å; F17-M332 HydrophobicContact CD1-CG 4.49Å; F17-M332 WeakPolarHBondContact O-CB 3.18Å; F17-M348 HydrophobicContact CE1-CE 4.14Å; F17-M348 HydrophobicContact CE1-CG 4.45Å |
| 18 | S | 98.6 | Very high | 94.4 | Very high | 0 Ų | 0 | 30.1 Ų | 30.1 | 0% | 0 | 18% | 0.178 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -149.5 | 149.5 | 178.9 | -178.4 | 0 | 0 | 0 | 0 | 113.2 | I16 T30 G31 V76 D333 | I16-S18 WeakPolarHBondContact CG2-O 3.41Å; S18-T30 CarbonylContact O-C 3.57Å; S18-T30 VanDerWaalsContact O-CA 3.32Å; S18-T30 WeakPolarHBondContact O-CA 3.31Å; S18-G31 PolarHBondContact N-O 2.68Å; S18-G31 VanDerWaalsContact N-O 3.12Å; S18-G31 PolarHBondContact O-N 2.58Å; S18-V76 PolarHBondContact OG-N 3.34Å; S18-V76 PolarHBondContact OG-O 3Å; S18-D333 VanDerWaalsContact CA-OD2 3.32Å; S18-D333 WeakPolarHBondContact CA-OD2 3.48Å; S18-D333 WeakPolarHBondContact CB-OD2 3.11Å; S18-D333 PolarHBondContact OG-OD2 3.12Å |
| 19 | V | 98.7 | Very high | 94.7 | Very high | 0 Ų | 0 | 27.9 Ų | 27.9 | 0% | 0 | 17% | 0.17 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.4 | 139.6 | 175.7 | 60.6 | 0 | 0 | 0 | 0 | 109.4 | F28 A29 T30 R77 D333 S335 L344 C346 | V19-F28 HydrophobicContact CG2-CD2 4.19Å; V19-A29 WeakPolarHBondContact CA-O 3.31Å; V19-T30 HydrophobicContact CB-CG2 4.16Å; V19-T30 HydrophobicContact CG2-CG2 3.9Å; V19-R77 PolarHBondContact O-NH1 3.36Å; V19-R77 VanDerWaalsContact O-NH1 3.12Å; V19-D333 HydrophobicContact CG1-CB 4.35Å; V19-D333 PolarHBondContact N-OD2 2.94Å; V19-D333 VanDerWaalsContact N-OD2 3.09Å; V19-S335 WeakPolarHBondContact O-CB 3.01Å; V19-L344 HydrophobicContact CG1-CB 4.42Å; V19-L344 HydrophobicContact CG2-CB 3.91Å; V19-L344 HydrophobicContact CG2-CD1 3.74Å; V19-L344 HydrophobicContact CG2-CG 4.45Å; V19-C346 HydrophobicContact CB-CB 3.97Å; V19-C346 HydrophobicContact CG1-CB 3.78Å |
| 20 | D | 98.7 | Very high | 94.9 | Very high | 19 Ų | 19 | 27.9 Ų | 27.9 | 10% | 0.102 | 17% | 0.17 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -147.1 | 127.4 | 176.8 | -144.9 | 50.9 | 0 | 0 | 0 | 112.9 | F28 A29 V76 R77 W78 S335 | D20-F28 CarbonylContact O-C 3.58Å; D20-F28 WeakPolarHBondContact O-CA 3.41Å; D20-F28 WeakPolarHBondContact O-CB 3.2Å; D20-A29 PolarHBondContact N-O 2.73Å; D20-A29 PolarHBondContact O-N 2.74Å; D20-V76 HydrophobicContact CB-CG2 4.46Å; D20-R77 WeakPolarHBondContact OD1-CD 3.25Å; D20-R77 IonicContact OD1-CZ 3.85Å; D20-R77 IonicContact OD1-NH1 3.09Å; D20-R77 PolarHBondContact OD1-NH1 3.32Å; D20-R77 WeakPolarHBondContact OD2-CA 3.47Å; D20-W78 PolarHBondContact O-NE1 3.49Å; D20-W78 PolarHBondContact OD2-N 2.95Å; D20-S335 WeakPolarHBondContact CA-OG 3.31Å; D20-S335 PolarHBondContact OD1-OG 3.26Å |
| 21 | I | 98.4 | Very high | 95.3 | Very high | 11 Ų | 11 | 26.2 Ų | 26.2 | 6% | 0.056 | 16% | 0.158 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.1 | 132.6 | 179.9 | -61.3 | 174.4 | 0 | 0 | 0 | 109.1 | F28 W78 S335 T337 L344 | I21-F28 HydrophobicContact CG1-CB 4.23Å; I21-W78 VanDerWaalsContact C-CD1 3.41Å; I21-W78 VanDerWaalsContact O-CD1 3.3Å; I21-S335 WeakPolarHBondContact CD1-O 3.3Å; I21-S335 PolarHBondContact N-OG 3.22Å; I21-T337 HydrophobicContact CD1-CG2 3.78Å; I21-T337 HydrophobicContact CG2-CG2 4.4Å; I21-L344 HydrophobicContact CD1-CB 4.1Å; I21-L344 HydrophobicContact CD1-CD1 4.16Å; I21-L344 HydrophobicContact CD1-CG 3.98Å; I21-L344 HydrophobicContact CG1-CB 4.3Å; I21-L344 HydrophobicContact CG1-CD1 3.77Å; I21-L344 HydrophobicContact CG1-CG 4.14Å |
| 22 | H | 97.4 | Very high | 95.6 | Very high | 17 Ų | 17 | 26.1 Ų | 26.1 | 8% | 0.079 | 16% | 0.158 | C | C | . | . | trans | -67.3 | 141 | 177.1 | -178.6 | -97 | 0 | 0 | 0 | 110 | D24 G25 K27 W78 G82 | H22-D24 VanDerWaalsContact C-N 3.27Å; H22-D24 VanDerWaalsContact CE1-CG 3.41Å; H22-D24 IonicContact CE1-OD1 3.28Å; H22-D24 IonicContact CE1-OD2 3.7Å; H22-D24 PolarHBondContact CE1-OD2 3.15Å; H22-D24 IonicContact CG-OD1 2.99Å; H22-D24 IonicContact ND1-OD1 3.97Å; H22-D24 PolarHBondContact ND1-OD1 3.12Å; H22-D24 IonicContact ND1-OD2 2.8Å; H22-D24 PolarHBondContact ND1-OD2 3.38Å; H22-D24 VanDerWaalsContact ND1-OD2 3.16Å; H22-D24 PolarHBondContact O-N 3.29Å; H22-G25 PolarHBondContact O-N 3.47Å; H22-K27 HydrophobicContact CB-CG 3.66Å; H22-K27 VanDerWaalsContact CB-O 3.22Å; H22-K27 WeakPolarHBondContact CB-O 3.44Å; H22-K27 PolarHBondContact N-O 3.42Å; H22-W78 HydrophobicContact CB-CD2 4.19Å; H22-W78 HydrophobicContact CB-CG 4.4Å; H22-W78 HydrophobicContact CB-CZ2 4.25Å; H22-W78 AromaticContact CD2-CD2 3.68Å; H22-W78 AromaticContact CD2-CE2 3.95Å; H22-W78 AromaticContact CD2-CE3 3.54Å; H22-W78 AromaticContact CD2-CH2 3.96Å; H22-W78 AromaticContact CD2-CZ3 3.68Å; H22-G82 PolarHBondContact NE2-O 2.9Å | ||
| 23 | P | 92.2 | Very high | 96 | Very high | 29 Ų | 29 | 22.3 Ų | 22.3 | 19% | 0.188 | 14% | 0.136 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -51.9 | -34.3 | -171.9 | -34.1 | 38.4 | 0 | 0 | 0 | 116.5 | G25 W78 S79 N80 L338 | P23-G25 PolarHBondContact O-N 2.94Å; P23-W78 HydrophobicContact CG-CB 4.49Å; P23-S79 WeakPolarHBondContact CG-O 3.41Å; P23-N80 WeakPolarHBondContact CG-O 3.47Å; P23-L338 HydrophobicContact CB-CD1 3.97Å; P23-L338 VanDerWaalsContact O-CD1 3.25Å; P23-L338 WeakPolarHBondContact O-CD1 3.21Å; P23-L338 WeakPolarHBondContact O-CG 3.36Å |
| 24 | D | 91.7 | Very high | 96.2 | Very high | 93 Ų | 93 | 19.9 Ų | 19.9 | 50% | 0.497 | 11% | 0.112 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -75.6 | -5 | 176.9 | 68.5 | 15.2 | 0 | 0 | 0 | 114.8 | H22 T26 | H22-D24 VanDerWaalsContact C-N 3.27Å; H22-D24 VanDerWaalsContact CE1-CG 3.41Å; H22-D24 IonicContact CE1-OD1 3.28Å; H22-D24 IonicContact CE1-OD2 3.7Å; H22-D24 PolarHBondContact CE1-OD2 3.15Å; H22-D24 IonicContact CG-OD1 2.99Å; H22-D24 IonicContact ND1-OD1 3.97Å; H22-D24 PolarHBondContact ND1-OD1 3.12Å; H22-D24 IonicContact ND1-OD2 2.8Å; H22-D24 PolarHBondContact ND1-OD2 3.38Å; H22-D24 VanDerWaalsContact ND1-OD2 3.16Å; H22-D24 PolarHBondContact O-N 3.29Å; D24-T26 HydrophobicContact CB-CG2 4.36Å; D24-T26 VanDerWaalsContact CG-OG1 3.27Å; D24-T26 PolarHBondContact O-N 3.14Å; D24-T26 VanDerWaalsContact OD1-CB 3.31Å; D24-T26 WeakPolarHBondContact OD1-CB 3.29Å; D24-T26 WeakPolarHBondContact OD1-CG2 3.34Å; D24-T26 PolarHBondContact OD1-N 2.92Å; D24-T26 PolarHBondContact OD1-OG1 3.23Å; D24-T26 PolarHBondContact OD2-OG1 2.89Å |
| 25 | G | 92.4 | Very high | 95.8 | Very high | 23 Ų | 23 | 21.5 Ų | 21.5 | 24% | 0.237 | 12% | 0.12 | C | C | . | . | S | Bend | trans | 72.4 | 3.4 | -178.9 | 0 | 0 | 0 | 0 | 0 | 115.6 | H22 P23 M45 | H22-G25 PolarHBondContact O-N 3.47Å; P23-G25 PolarHBondContact O-N 2.94Å; G25-M45 VanDerWaalsContact O-CB 3.32Å; G25-M45 WeakPolarHBondContact O-CB 3.49Å; G25-M45 WeakPolarHBondContact O-CG 3.49Å |
| 26 | T | 94.4 | Very high | 95.2 | Very high | 73 Ų | 73 | 27.9 Ų | 27.9 | 45% | 0.448 | 15% | 0.153 | S | C | . | . | S | Bend | trans | -79.6 | -21.1 | -176.1 | 64.9 | 0 | 0 | 0 | 0 | 113.8 | D24 M45 | D24-T26 HydrophobicContact CB-CG2 4.36Å; D24-T26 VanDerWaalsContact CG-OG1 3.27Å; D24-T26 PolarHBondContact O-N 3.14Å; D24-T26 VanDerWaalsContact OD1-CB 3.31Å; D24-T26 WeakPolarHBondContact OD1-CB 3.29Å; D24-T26 WeakPolarHBondContact OD1-CG2 3.34Å; D24-T26 PolarHBondContact OD1-N 2.92Å; D24-T26 PolarHBondContact OD1-OG1 3.23Å; D24-T26 PolarHBondContact OD2-OG1 2.89Å; T26-M45 VanDerWaalsContact C-CB 3.43Å; T26-M45 VanDerWaalsContact O-CB 3.25Å; T26-M45 WeakPolarHBondContact O-CB 3.47Å; T26-M45 PolarHBondContact O-N 3.08Å |
| 27 | K | 96.4 | Very high | 94.8 | Very high | 5 Ų | 5 | 29.4 Ų | 29.4 | 2% | 0.022 | 16% | 0.163 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -156.4 | 168.1 | -173.3 | 57.4 | -168.6 | 167.6 | -172.2 | 0 | 112.4 | H22 I42 W43 L63 E119 | H22-K27 HydrophobicContact CB-CG 3.66Å; H22-K27 VanDerWaalsContact CB-O 3.22Å; H22-K27 WeakPolarHBondContact CB-O 3.44Å; H22-K27 PolarHBondContact N-O 3.42Å; K27-I42 HydrophobicContact CB-CG2 4.42Å; K27-I42 HydrophobicContact CD-CG2 4.08Å; K27-W43 WeakPolarHBondContact CA-O 3.48Å; K27-W43 WeakPolarHBondContact CB-O 3.44Å; K27-L63 HydrophobicContact CB-CD1 3.89Å; K27-L63 HydrophobicContact CD-CD1 4.02Å; K27-E119 IonicContact NZ-OE1 3.84Å; K27-E119 PolarHBondContact NZ-OE1 2.76Å; K27-E119 IonicContact NZ-OE2 3.69Å; K27-E119 PolarHBondContact NZ-OE2 2.94Å |
| 28 | F | 98.3 | Very high | 94.6 | Very high | 0 Ų | 0 | 28.6 Ų | 28.6 | 0% | 0 | 16% | 0.16 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.9 | 153.8 | 175.9 | 62.4 | -83.3 | 0 | 0 | 0 | 111.3 | V9 V19 D20 I21 T30 I42 W43 M45 V48 L344 | V9-F28 HydrophobicContact CG1-CE2 4.05Å; V9-F28 HydrophobicContact CG1-CZ 4.32Å; V9-F28 HydrophobicContact CG2-CE2 4.43Å; V9-F28 HydrophobicContact CG2-CZ 3.87Å; V19-F28 HydrophobicContact CG2-CD2 4.19Å; D20-F28 CarbonylContact O-C 3.58Å; D20-F28 WeakPolarHBondContact O-CA 3.41Å; D20-F28 WeakPolarHBondContact O-CB 3.2Å; I21-F28 HydrophobicContact CG1-CB 4.23Å; F28-T30 HydrophobicContact CD2-CG2 4.09Å; F28-T30 HydrophobicContact CE2-CG2 4.11Å; F28-I42 WeakPolarHBondContact O-CA 3.46Å; F28-W43 HydrophobicContact CD1-CB 4.04Å; F28-W43 HydrophobicContact CD2-CB 4.14Å; F28-W43 AromaticContact CD2-CD1 3.79Å; F28-W43 HydrophobicContact CD2-CG 4.28Å; F28-W43 HydrophobicContact CE1-CB 3.56Å; F28-W43 HydrophobicContact CE1-CG 4.44Å; F28-W43 HydrophobicContact CE2-CB 3.68Å; F28-W43 AromaticContact CE2-CD1 3.43Å; F28-W43 VanDerWaalsContact CE2-CD1 3.43Å; F28-W43 AromaticContact CE2-CG 3.69Å; F28-W43 HydrophobicContact CE2-CG 3.69Å; F28-W43 HydrophobicContact CG-CB 4.31Å; F28-W43 HydrophobicContact CZ-CB 3.37Å; F28-W43 AromaticContact CZ-CG 3.79Å; F28-W43 HydrophobicContact CZ-CG 3.79Å; F28-W43 PolarHBondContact N-O 3.43Å; F28-W43 PolarHBondContact O-N 3.05Å; F28-M45 HydrophobicContact CD1-CB 4.45Å; F28-M45 HydrophobicContact CD1-CE 3.77Å; F28-M45 HydrophobicContact CD1-SD 3.6Å; F28-M45 VanDerWaalsContact CD1-SD 3.6Å; F28-M45 HydrophobicContact CE1-CE 3.79Å; F28-M45 HydrophobicContact CE1-SD 4.22Å; F28-M45 HydrophobicContact CG-SD 4.4Å; F28-V48 HydrophobicContact CE1-CG2 3.96Å; F28-V48 HydrophobicContact CZ-CG2 4.31Å; F28-L344 HydrophobicContact CB-CD1 3.64Å; F28-L344 HydrophobicContact CD1-CD1 3.81Å; F28-L344 HydrophobicContact CD2-CD1 3.41Å; F28-L344 VanDerWaalsContact CD2-CD1 3.41Å; F28-L344 HydrophobicContact CE1-CD1 4.28Å; F28-L344 HydrophobicContact CE2-CD1 3.92Å; F28-L344 HydrophobicContact CG-CD1 3.34Å; F28-L344 HydrophobicContact CZ-CD1 4.32Å |
| 29 | A | 98.5 | Very high | 94.3 | Very high | 0 Ų | 0 | 29.4 Ų | 29.4 | 0% | 0 | 16% | 0.163 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.2 | 146.6 | 174.2 | 0 | 0 | 0 | 0 | 0 | 110.4 | V19 D20 M41 V76 W78 L85 | V19-A29 WeakPolarHBondContact CA-O 3.31Å; D20-A29 PolarHBondContact N-O 2.73Å; D20-A29 PolarHBondContact O-N 2.74Å; A29-M41 CarbonylContact C-O 3.13Å; A29-M41 VanDerWaalsContact CA-O 3.25Å; A29-M41 WeakPolarHBondContact CA-O 3.39Å; A29-V76 HydrophobicContact CB-CB 4.5Å; A29-V76 HydrophobicContact CB-CG2 4.2Å; A29-W78 HydrophobicContact CB-CZ2 3.95Å; A29-L85 HydrophobicContact CB-CD1 3.88Å; A29-L85 HydrophobicContact CB-CD2 3.97Å |
| 30 | T | 98.6 | Very high | 94.3 | Very high | 0 Ų | 0 | 29.4 Ų | 29.4 | 0% | 0 | 16% | 0.163 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.9 | 134.8 | 163.4 | 62.9 | 0 | 0 | 0 | 0 | 111.4 | H11 I16 S18 V19 F28 V40 M41 W43 V352 | H11-T30 PolarHBondContact NE2-OG1 3.28Å; I16-T30 HydrophobicContact CG2-CG2 4.22Å; S18-T30 CarbonylContact O-C 3.57Å; S18-T30 VanDerWaalsContact O-CA 3.32Å; S18-T30 WeakPolarHBondContact O-CA 3.31Å; V19-T30 HydrophobicContact CB-CG2 4.16Å; V19-T30 HydrophobicContact CG2-CG2 3.9Å; F28-T30 HydrophobicContact CD2-CG2 4.09Å; F28-T30 HydrophobicContact CE2-CG2 4.11Å; T30-V40 WeakPolarHBondContact O-CA 3.32Å; T30-M41 PolarHBondContact N-O 2.95Å; T30-M41 PolarHBondContact O-N 3.32Å; T30-W43 PolarHBondContact OG1-NE1 3.5Å; T30-V352 HydrophobicContact CG2-CG1 4.09Å |
| 31 | G | 97.9 | Very high | 94.1 | Very high | 0 Ų | 0 | 29.1 Ų | 29.1 | 0% | 0 | 16% | 0.161 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.6 | 136.7 | 173.8 | 0 | 0 | 0 | 0 | 0 | 110.8 | F17 S18 V73 | F17-G31 PolarHBondContact N-O 2.69Å; S18-G31 PolarHBondContact N-O 2.68Å; S18-G31 VanDerWaalsContact N-O 3.12Å; S18-G31 PolarHBondContact O-N 2.58Å; G31-V73 CarbonylContact C-O 3.56Å |
| 32 | G | 96.6 | Very high | 94.1 | Very high | 0 Ų | 0 | 28.6 Ų | 28.6 | 0% | 0 | 16% | 0.159 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -171.7 | -165.5 | -178 | 0 | 0 | 0 | 0 | 0 | 113.6 | H11 P15 K39 V73 | H11-G32 PolarHBondContact CE1-N 2.7Å; P15-G32 VanDerWaalsContact O-CA 3.32Å; P15-G32 WeakPolarHBondContact O-CA 3.39Å; G32-K39 PolarHBondContact N-O 3.2Å; G32-K39 VanDerWaalsContact N-O 3.08Å; G32-K39 PolarHBondContact O-N 3.22Å; G32-K39 VanDerWaalsContact O-N 3.09Å; G32-V73 PolarHBondContact N-O 3.14Å; G32-V73 PolarHBondContact O-N 3.17Å |
| 33 | Q | 94.9 | Very high | 94.1 | Very high | 34 Ų | 34 | 28.4 Ų | 28.4 | 16% | 0.159 | 16% | 0.157 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.8 | 137.2 | 178.2 | 174.6 | 51.2 | 28 | 0 | 0 | 111.1 | K14 P15 F17 S37 C72 | K14-Q33 HydrophobicContact CB-CB 4.42Å; K14-Q33 WeakPolarHBondContact CB-O 3.38Å; K14-Q33 HydrophobicContact CD-CG 4.45Å; P15-Q33 PolarHBondContact O-N 3.5Å; P15-Q33 VanDerWaalsContact O-N 3.1Å; F17-Q33 HydrophobicContact CE2-CB 4.34Å; Q33-S37 PolarHBondContact NE2-O 3.45Å; Q33-C72 PolarHBondContact OE1-SG 3.25Å; Q33-C72 VanDerWaalsContact OE1-SG 3.32Å |
| 34 | G | 89.4 | Confident | 94.3 | Very high | 0 Ų | 0 | 28.1 Ų | 28.1 | 0% | 0 | 15% | 0.154 | C | C | . | . | trans | -92.3 | -156.4 | 171.8 | 0 | 0 | 0 | 0 | 0 | 114.1 | K14 S37 | K14-G34 WeakPolarHBondContact CD-O 3.39Å; K14-G34 VanDerWaalsContact CE-O 3.24Å; K14-G34 WeakPolarHBondContact CE-O 3.27Å; K14-G34 WeakPolarHBondContact CG-O 3.06Å; K14-G34 PolarHBondContact NZ-O 2.75Å; G34-S37 WeakPolarHBondContact CA-O 3.25Å; G34-S37 PolarHBondContact N-O 2.79Å | ||
| 35 | E | 86 | Confident | 94.5 | Very high | 103 Ų | 103 | 23.8 Ų | 23.8 | 48% | 0.481 | 13% | 0.131 | S | C | . | . | S | Bend | trans | -71.3 | -67.3 | 169.6 | -79.8 | 129.2 | -94.9 | 0 | 0 | 109.7 | N12 K14 K39 | N12-E35 PolarHBondContact ND2-OE1 3.48Å; K14-E35 PolarHBondContact NZ-O 2.76Å; E35-K39 IonicContact OE1-NZ 2.75Å; E35-K39 PolarHBondContact OE1-NZ 3.48Å |
| 36 | D | 83.2 | Confident | 94.6 | Very high | 162 Ų | 162 | 24 Ų | 24 | 87% | 0.866 | 13% | 0.13 | S | C | * | . | S | Bend | trans | -111 | -11.3 | -177.7 | -52.8 | -51.8 | 0 | 0 | 0 | 114.6 | ||
| 37 | S | 91.1 | Very high | 94.7 | Very high | 31 Ų | 31 | 20.6 Ų | 20.6 | 22% | 0.217 | 11% | 0.11 | C | C | . | . | S | Bend | trans | -138.6 | 175.6 | -175.5 | 67.1 | 0 | 0 | 0 | 0 | 112.1 | Q33 G34 H69 | Q33-S37 PolarHBondContact NE2-O 3.45Å; G34-S37 WeakPolarHBondContact CA-O 3.25Å; G34-S37 PolarHBondContact N-O 2.79Å; S37-H69 WeakPolarHBondContact CB-O 3.49Å |
| 38 | G | 93.1 | Very high | 94.6 | Very high | 0 Ų | 0 | 20.7 Ų | 20.7 | 0% | 0 | 11% | 0.111 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -74.2 | 141.6 | 170.6 | 0 | 0 | 0 | 0 | 0 | 112 | D67 H69 A71 | G38-D67 WeakPolarHBondContact O-CA 3.36Å; G38-H69 PolarHBondContact N-O 2.85Å; G38-A71 WeakPolarHBondContact CA-O 3.47Å; G38-A71 PolarHBondContact N-O 3.24Å |
| 39 | K | 93.4 | Very high | 94.4 | Very high | 17 Ų | 17 | 24.8 Ų | 24.8 | 7% | 0.074 | 13% | 0.132 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.3 | 128.3 | 176.9 | -74.6 | -178 | -175.4 | 173.3 | 0 | 111.2 | H11 N12 G32 E35 | H11-K39 PolarHBondContact CE1-O 3.41Å; N12-K39 PolarHBondContact ND2-NZ 3.08Å; G32-K39 PolarHBondContact N-O 3.2Å; G32-K39 VanDerWaalsContact N-O 3.08Å; G32-K39 PolarHBondContact O-N 3.22Å; G32-K39 VanDerWaalsContact O-N 3.09Å; E35-K39 IonicContact OE1-NZ 2.75Å; E35-K39 PolarHBondContact OE1-NZ 3.48Å |
| 40 | V | 96.9 | Very high | 94.1 | Very high | 1 Ų | 1 | 31.4 Ų | 31.4 | 1% | 0.006 | 16% | 0.157 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.6 | 120.6 | 161.1 | -174.4 | 0 | 0 | 0 | 0 | 107.9 | T30 M66 V73 V76 L85 | T30-V40 WeakPolarHBondContact O-CA 3.32Å; V40-M66 HydrophobicContact CB-CB 4.34Å; V40-M66 HydrophobicContact CB-CE 3.9Å; V40-M66 HydrophobicContact CG1-CE 3.49Å; V40-M66 VanDerWaalsContact CG1-CE 3.49Å; V40-M66 PolarHBondContact N-O 2.71Å; V40-M66 PolarHBondContact O-N 2.9Å; V40-V73 HydrophobicContact CG2-CB 4.46Å; V40-V73 HydrophobicContact CG2-CG1 4.08Å; V40-V73 HydrophobicContact CG2-CG2 3.93Å; V40-V76 HydrophobicContact CG1-CG1 4.11Å; V40-V76 HydrophobicContact CG2-CG1 4.36Å; V40-L85 HydrophobicContact CG1-CD2 3.79Å |
| 41 | M | 95.7 | Very high | 93.8 | Very high | 12 Ų | 12 | 37.4 Ų | 37.4 | 6% | 0.059 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.1 | 135.3 | -178.1 | -60.5 | -64 | -63.7 | 0 | 0 | 109.7 | H11 A29 T30 W43 M62 Q65 | H11-M41 WeakPolarHBondContact NE2-CG 3.18Å; A29-M41 CarbonylContact C-O 3.13Å; A29-M41 VanDerWaalsContact CA-O 3.25Å; A29-M41 WeakPolarHBondContact CA-O 3.39Å; T30-M41 PolarHBondContact N-O 2.95Å; T30-M41 PolarHBondContact O-N 3.32Å; M41-W43 HydrophobicContact CB-CD2 4.49Å; M41-W43 HydrophobicContact CB-CZ2 3.64Å; M41-W43 VanDerWaalsContact CB-NE1 3.27Å; M41-W43 HydrophobicContact CE-CH2 3.99Å; M41-W43 HydrophobicContact CE-CZ2 3.98Å; M41-W43 HydrophobicContact CG-CZ2 3.88Å; M41-M62 HydrophobicContact CE-CG 3.57Å; M41-M62 HydrophobicContact CE-SD 4.33Å; M41-Q65 HydrophobicContact CE-CB 3.94Å; M41-Q65 HydrophobicContact CE-CG 4.42Å; M41-Q65 HydrophobicContact SD-CB 3.61Å; M41-Q65 HydrophobicContact SD-CG 3.56Å; M41-Q65 VanDerWaalsContact SD-CG 3.56Å |
| 42 | I | 97.4 | Very high | 93.6 | Very high | 0 Ų | 0 | 44.7 Ų | 44.7 | 0% | 0 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.3 | 126.6 | 172.4 | -59.3 | 173.5 | 0 | 0 | 0 | 108 | K27 F28 L63 C64 M66 W78 L85 W121 | K27-I42 HydrophobicContact CB-CG2 4.42Å; K27-I42 HydrophobicContact CD-CG2 4.08Å; F28-I42 WeakPolarHBondContact O-CA 3.46Å; I42-L63 HydrophobicContact CG2-CB 4.2Å; I42-L63 HydrophobicContact CG2-CD1 4.34Å; I42-L63 WeakPolarHBondContact O-CB 3.25Å; I42-L63 PolarHBondContact O-N 3.11Å; I42-C64 HydrophobicContact CB-CB 4.24Å; I42-C64 HydrophobicContact CD1-CB 4.39Å; I42-C64 PolarHBondContact N-O 3.3Å; I42-C64 PolarHBondContact O-N 3.13Å; I42-M66 HydrophobicContact CD1-CE 3.92Å; I42-M66 HydrophobicContact CG1-CE 4.31Å; I42-W78 HydrophobicContact CD1-CH2 4.07Å; I42-W78 HydrophobicContact CD1-CZ2 4.49Å; I42-L85 HydrophobicContact CD1-CD2 4.42Å; I42-W121 HydrophobicContact CD1-CD2 3.68Å; I42-W121 HydrophobicContact CD1-CE3 4.36Å; I42-W121 HydrophobicContact CD1-CG 3.77Å; I42-W121 HydrophobicContact CD1-CZ2 4.22Å |
| 43 | W | 97.4 | Very high | 93.5 | Very high | 13 Ų | 13 | 45.3 Ų | 45.3 | 5% | 0.049 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.2 | 149.2 | -171.6 | -52.1 | 92.6 | 0 | 0 | 0 | 111 | W8 V9 K27 F28 T30 M41 M62 | W8-W43 AromaticContact CE3-CE3 3.99Å; W8-W43 HydrophobicContact CE3-CE3 3.99Å; W8-W43 HydrophobicContact CE3-CZ3 4.21Å; W8-W43 HydrophobicContact CZ3-CB 4.49Å; W8-W43 AromaticContact CZ3-CE3 3.82Å; W8-W43 HydrophobicContact CZ3-CE3 3.82Å; W8-W43 HydrophobicContact CZ3-CZ3 4.49Å; V9-W43 HydrophobicContact CG1-CD2 4.23Å; V9-W43 HydrophobicContact CG1-CZ2 4.18Å; K27-W43 WeakPolarHBondContact CA-O 3.48Å; K27-W43 WeakPolarHBondContact CB-O 3.44Å; F28-W43 HydrophobicContact CD1-CB 4.04Å; F28-W43 HydrophobicContact CD2-CB 4.14Å; F28-W43 AromaticContact CD2-CD1 3.79Å; F28-W43 HydrophobicContact CD2-CG 4.28Å; F28-W43 HydrophobicContact CE1-CB 3.56Å; F28-W43 HydrophobicContact CE1-CG 4.44Å; F28-W43 HydrophobicContact CE2-CB 3.68Å; F28-W43 AromaticContact CE2-CD1 3.43Å; F28-W43 VanDerWaalsContact CE2-CD1 3.43Å; F28-W43 AromaticContact CE2-CG 3.69Å; F28-W43 HydrophobicContact CE2-CG 3.69Å; F28-W43 HydrophobicContact CG-CB 4.31Å; F28-W43 HydrophobicContact CZ-CB 3.37Å; F28-W43 AromaticContact CZ-CG 3.79Å; F28-W43 HydrophobicContact CZ-CG 3.79Å; F28-W43 PolarHBondContact N-O 3.43Å; F28-W43 PolarHBondContact O-N 3.05Å; T30-W43 PolarHBondContact OG1-NE1 3.5Å; M41-W43 HydrophobicContact CB-CD2 4.49Å; M41-W43 HydrophobicContact CB-CZ2 3.64Å; M41-W43 VanDerWaalsContact CB-NE1 3.27Å; M41-W43 HydrophobicContact CE-CH2 3.99Å; M41-W43 HydrophobicContact CE-CZ2 3.98Å; M41-W43 HydrophobicContact CG-CZ2 3.88Å; W43-M62 HydrophobicContact CE3-CB 4.01Å; W43-M62 HydrophobicContact CE3-CG 4.3Å; W43-M62 HydrophobicContact CZ3-CB 4Å; W43-M62 HydrophobicContact CZ3-CG 4.23Å |
| 44 | N | 96.1 | Very high | 93.4 | Very high | 23 Ų | 23 | 46.6 Ų | 46.6 | 12% | 0.123 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -76.7 | 129.3 | 175.8 | -173.2 | -10.1 | 0 | 0 | 0 | 110.1 | A46 P47 I59 P60 K61 L63 | N44-A46 PolarHBondContact OD1-N 3.36Å; N44-P47 HydrophobicContact CB-CG 4.32Å; N44-P47 WeakPolarHBondContact OD1-CD 3.43Å; N44-I59 WeakPolarHBondContact ND2-CG2 3.5Å; N44-P60 WeakPolarHBondContact CB-O 3.13Å; N44-P60 PolarHBondContact ND2-O 2.8Å; N44-K61 PolarHBondContact N-O 3.01Å; N44-L63 HydrophobicContact CB-CD1 4.17Å; N44-L63 HydrophobicContact CB-CD2 4.16Å; N44-L63 HydrophobicContact CB-CG 4.04Å |
| 45 | M | 96.3 | Very high | 93.5 | Very high | 2 Ų | 2 | 53.7 Ų | 53.7 | 1% | 0.01 | 26% | 0.26 | C | S | . | . | S | Bend | trans | -77 | -29.2 | 179.5 | -163.2 | 83.1 | -103.1 | 0 | 0 | 111.7 | G25 T26 F28 V48 L49 L344 Y354 | G25-M45 VanDerWaalsContact O-CB 3.32Å; G25-M45 WeakPolarHBondContact O-CB 3.49Å; G25-M45 WeakPolarHBondContact O-CG 3.49Å; T26-M45 VanDerWaalsContact C-CB 3.43Å; T26-M45 VanDerWaalsContact O-CB 3.25Å; T26-M45 WeakPolarHBondContact O-CB 3.47Å; T26-M45 PolarHBondContact O-N 3.08Å; F28-M45 HydrophobicContact CD1-CB 4.45Å; F28-M45 HydrophobicContact CD1-CE 3.77Å; F28-M45 HydrophobicContact CD1-SD 3.6Å; F28-M45 VanDerWaalsContact CD1-SD 3.6Å; F28-M45 HydrophobicContact CE1-CE 3.79Å; F28-M45 HydrophobicContact CE1-SD 4.22Å; F28-M45 HydrophobicContact CG-SD 4.4Å; M45-V48 HydrophobicContact CE-CB 3.55Å; M45-V48 HydrophobicContact CE-CG1 3.69Å; M45-V48 HydrophobicContact CE-CG2 3.88Å; M45-V48 WeakPolarHBondContact O-CA 3.34Å; M45-V48 WeakPolarHBondContact O-CB 3.35Å; M45-V48 PolarHBondContact O-N 3.28Å; M45-L49 HydrophobicContact CG-CD1 3.88Å; M45-L49 HydrophobicContact CG-CG 4.05Å; M45-L49 WeakPolarHBondContact O-CG 3.4Å; M45-L49 PolarHBondContact O-N 3.06Å; M45-L49 VanDerWaalsContact O-N 3.17Å; M45-L344 HydrophobicContact CE-CD1 4.13Å; M45-L344 HydrophobicContact CE-CD2 4.25Å; M45-L344 HydrophobicContact CE-CG 4.28Å; M45-L344 HydrophobicContact SD-CD1 4.32Å; M45-Y354 HydrophobicContact CE-CD2 4.05Å; M45-Y354 HydrophobicContact CE-CE2 4.37Å |
| 46 | A | 95.7 | Very high | 93.9 | Very high | 27 Ų | 27 | 51.8 Ų | 51.8 | 22% | 0.223 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -62.1 | -43.8 | -171.4 | 0 | 0 | 0 | 0 | 0 | 113.5 | N44 V48 L49 R50 D53 | N44-A46 PolarHBondContact OD1-N 3.36Å; A46-V48 PolarHBondContact O-N 2.85Å; A46-V48 VanDerWaalsContact O-N 3.08Å; A46-L49 PolarHBondContact O-N 3.12Å; A46-R50 PolarHBondContact O-N 3.03Å; A46-D53 VanDerWaalsContact CB-OD2 3.31Å; A46-D53 WeakPolarHBondContact CB-OD2 3.49Å |
| 47 | P | 95.6 | Very high | 94.2 | Very high | 2 Ų | 2 | 53.5 Ų | 53.5 | 1% | 0.013 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -61.1 | -9 | 168.5 | -27.5 | 38 | 0 | 0 | 0 | 116.8 | W8 N44 D53 E54 I59 K61 | W8-P47 HydrophobicContact CH2-CB 4.12Å; W8-P47 HydrophobicContact CZ2-CB 3.73Å; N44-P47 HydrophobicContact CB-CG 4.32Å; N44-P47 WeakPolarHBondContact OD1-CD 3.43Å; P47-D53 HydrophobicContact CB-CB 4.46Å; P47-D53 HydrophobicContact CG-CB 4.2Å; P47-E54 HydrophobicContact CB-CB 4.46Å; P47-E54 WeakPolarHBondContact O-CB 3.1Å; P47-I59 HydrophobicContact CG-CG2 3.71Å; P47-K61 HydrophobicContact CB-CG 4.21Å; P47-K61 HydrophobicContact CG-CG 4.24Å |
| 48 | V | 95.2 | Very high | 94.1 | Very high | 8 Ų | 8 | 58.8 Ų | 58.8 | 5% | 0.048 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -96.4 | -27.3 | 172.1 | -173.5 | 0 | 0 | 0 | 0 | 111 | P6 W8 F28 M45 A46 Y354 | P6-V48 HydrophobicContact CB-CG2 4.37Å; P6-V48 HydrophobicContact CG-CG1 4.21Å; P6-V48 HydrophobicContact CG-CG2 4.2Å; W8-V48 HydrophobicContact CH2-CG2 3.58Å; W8-V48 HydrophobicContact CZ2-CG2 3.58Å; F28-V48 HydrophobicContact CE1-CG2 3.96Å; F28-V48 HydrophobicContact CZ-CG2 4.31Å; M45-V48 HydrophobicContact CE-CB 3.55Å; M45-V48 HydrophobicContact CE-CG1 3.69Å; M45-V48 HydrophobicContact CE-CG2 3.88Å; M45-V48 WeakPolarHBondContact O-CA 3.34Å; M45-V48 WeakPolarHBondContact O-CB 3.35Å; M45-V48 PolarHBondContact O-N 3.28Å; A46-V48 PolarHBondContact O-N 2.85Å; A46-V48 VanDerWaalsContact O-N 3.08Å; V48-Y354 HydrophobicContact CG1-CD1 4.13Å; V48-Y354 HydrophobicContact CG1-CG 3.81Å |
| 49 | L | 92.6 | Very high | 94 | Very high | 86 Ų | 86 | 60.6 Ų | 60.6 | 45% | 0.45 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -86.7 | -29 | 179.7 | -60.8 | 175.4 | 0 | 0 | 0 | 112.9 | M45 A46 Y354 | M45-L49 HydrophobicContact CG-CD1 3.88Å; M45-L49 HydrophobicContact CG-CG 4.05Å; M45-L49 WeakPolarHBondContact O-CG 3.4Å; M45-L49 PolarHBondContact O-N 3.06Å; M45-L49 VanDerWaalsContact O-N 3.17Å; A46-L49 PolarHBondContact O-N 3.12Å; L49-Y354 HydrophobicContact CD2-CD1 4.38Å; L49-Y354 HydrophobicContact CD2-CE1 3.53Å; L49-Y354 HydrophobicContact CD2-CE2 4.2Å; L49-Y354 VanDerWaalsContact CD2-CZ 3.43Å; L49-Y354 WeakPolarHBondContact CD2-OH 3.47Å |
| 50 | R | 92.9 | Very high | 94 | Very high | 138 Ų | 138 | 62.1 Ų | 62.1 | 52% | 0.521 | 30% | 0.302 | S | S | . | . | trans | -135.1 | 121.3 | -175.3 | -59.4 | -171.6 | -63 | -178.5 | 8.1 | 111.7 | A46 E52 D53 E54 | A46-R50 PolarHBondContact O-N 3.03Å; R50-E52 PolarHBondContact O-N 3.08Å; R50-D53 HydrophobicContact CB-CB 4.31Å; R50-D53 IonicContact CZ-OD1 2.9Å; R50-D53 IonicContact CZ-OD2 3.73Å; R50-D53 IonicContact NE-OD1 3.8Å; R50-D53 IonicContact NE-OD2 2.94Å; R50-D53 PolarHBondContact NE-OD2 3.34Å; R50-D53 IonicContact NH2-OD1 3.58Å; R50-D53 PolarHBondContact NH2-OD1 2.82Å; R50-D53 IonicContact NH2-OD2 3.62Å; R50-D53 PolarHBondContact NH2-OD2 3.42Å; R50-D53 PolarHBondContact O-N 3.1Å; R50-D53 VanDerWaalsContact O-N 3.08Å; R50-E54 PolarHBondContact O-N 3.29Å; R50-E54 VanDerWaalsContact O-N 3.1Å | ||
| 51 | E | 91.8 | Very high | 93.8 | Very high | 126 Ų | 126 | 65.3 Ų | 65.3 | 59% | 0.589 | 32% | 0.316 | S | S | * | . | H | α-helix | trans | -62.2 | -28.3 | 176.1 | -167.4 | -175.3 | 157.9 | 0 | 0 | 112.5 | E54 K55 | E51-E54 PolarHBondContact O-N 2.93Å; E51-K55 HydrophobicContact CG-CD 4.39Å; E51-K55 WeakPolarHBondContact O-CG 3.49Å; E51-K55 PolarHBondContact O-N 3.17Å; E51-K55 VanDerWaalsContact O-N 3.08Å; E51-K55 VanDerWaalsContact OE1-CE 3.25Å; E51-K55 WeakPolarHBondContact OE1-CE 3.5Å; E51-K55 IonicContact OE1-NZ 2.73Å; E51-K55 PolarHBondContact OE1-NZ 2.59Å |
| 52 | E | 94.3 | Very high | 93.7 | Very high | 154 Ų | 154 | 65.6 Ų | 65.6 | 72% | 0.72 | 32% | 0.317 | S | S | * | . | H | α-helix | trans | -61.9 | -43.7 | 172.2 | -66.3 | 171.1 | -160.7 | 0 | 0 | 111.9 | R50 E54 K55 N56 | R50-E52 PolarHBondContact O-N 3.08Å; E52-E54 VanDerWaalsContact C-N 3.34Å; E52-K55 PolarHBondContact O-N 2.73Å; E52-N56 WeakPolarHBondContact O-CB 3.08Å; E52-N56 PolarHBondContact O-N 3.32Å |
| 53 | D | 93.9 | Very high | 93.5 | Very high | 12 Ų | 12 | 66.3 Ų | 66.3 | 6% | 0.064 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -70.5 | -33.6 | 175.6 | -66.7 | -27 | 0 | 0 | 0 | 111.3 | A46 P47 R50 K55 N56 I59 | A46-D53 VanDerWaalsContact CB-OD2 3.31Å; A46-D53 WeakPolarHBondContact CB-OD2 3.49Å; P47-D53 HydrophobicContact CB-CB 4.46Å; P47-D53 HydrophobicContact CG-CB 4.2Å; R50-D53 HydrophobicContact CB-CB 4.31Å; R50-D53 IonicContact CZ-OD1 2.9Å; R50-D53 IonicContact CZ-OD2 3.73Å; R50-D53 IonicContact NE-OD1 3.8Å; R50-D53 IonicContact NE-OD2 2.94Å; R50-D53 PolarHBondContact NE-OD2 3.34Å; R50-D53 IonicContact NH2-OD1 3.58Å; R50-D53 PolarHBondContact NH2-OD1 2.82Å; R50-D53 IonicContact NH2-OD2 3.62Å; R50-D53 PolarHBondContact NH2-OD2 3.42Å; R50-D53 PolarHBondContact O-N 3.1Å; R50-D53 VanDerWaalsContact O-N 3.08Å; D53-K55 VanDerWaalsContact C-N 3.28Å; D53-K55 PolarHBondContact O-N 3.08Å; D53-N56 PolarHBondContact O-N 2.67Å; D53-I59 HydrophobicContact CB-CD1 3.92Å; D53-I59 HydrophobicContact CB-CG2 4.47Å; D53-I59 WeakPolarHBondContact OD1-CD1 3.47Å |
| 54 | E | 92.9 | Very high | 93.3 | Very high | 61 Ų | 61 | 65.8 Ų | 65.8 | 29% | 0.285 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -65.2 | -32 | 176.7 | -165.8 | 176 | -162.3 | 0 | 0 | 112.7 | W8 P47 R50 E51 E52 K61 | W8-E54 PolarHBondContact NE1-OE1 3.24Å; P47-E54 HydrophobicContact CB-CB 4.46Å; P47-E54 WeakPolarHBondContact O-CB 3.1Å; R50-E54 PolarHBondContact O-N 3.29Å; R50-E54 VanDerWaalsContact O-N 3.1Å; E51-E54 PolarHBondContact O-N 2.93Å; E52-E54 VanDerWaalsContact C-N 3.34Å; E54-K61 WeakPolarHBondContact O-CE 3.48Å; E54-K61 PolarHBondContact O-NZ 3.01Å |
| 55 | K | 92.8 | Very high | 93.1 | Very high | 150 Ų | 150 | 66 Ų | 66 | 65% | 0.652 | 32% | 0.319 | S | S | * | . | H | α-helix | trans | -87 | -13.6 | 178.4 | -70.9 | 171.4 | -178.9 | 171.9 | 0 | 113.6 | E51 E52 D53 E57 | E51-K55 HydrophobicContact CG-CD 4.39Å; E51-K55 WeakPolarHBondContact O-CG 3.49Å; E51-K55 PolarHBondContact O-N 3.17Å; E51-K55 VanDerWaalsContact O-N 3.08Å; E51-K55 VanDerWaalsContact OE1-CE 3.25Å; E51-K55 WeakPolarHBondContact OE1-CE 3.5Å; E51-K55 IonicContact OE1-NZ 2.73Å; E51-K55 PolarHBondContact OE1-NZ 2.59Å; E52-K55 PolarHBondContact O-N 2.73Å; D53-K55 VanDerWaalsContact C-N 3.28Å; D53-K55 PolarHBondContact O-N 3.08Å; K55-E57 PolarHBondContact O-N 3.42Å |
| 56 | N | 93.1 | Very high | 92.9 | Very high | 62 Ų | 62 | 66.1 Ų | 66.1 | 33% | 0.332 | 32% | 0.32 | S | S | . | . | trans | -86.8 | 105.1 | -177.5 | -172.8 | -5.8 | 0 | 0 | 0 | 111.5 | E52 D53 N58 I59 | E52-N56 WeakPolarHBondContact O-CB 3.08Å; E52-N56 PolarHBondContact O-N 3.32Å; D53-N56 PolarHBondContact O-N 2.67Å; N56-N58 PolarHBondContact O-N 3.28Å; N56-N58 WeakPolarHBondContact OD1-CB 3.41Å; N56-N58 PolarHBondContact OD1-N 3.39Å; N56-N58 VanDerWaalsContact OD1-N 3.14Å; N56-N58 PolarHBondContact OD1-ND2 2.89Å; N56-I59 HydrophobicContact CB-CD1 4.11Å; N56-I59 HydrophobicContact CB-CG1 4.19Å; N56-I59 PolarHBondContact O-N 3.27Å | ||
| 57 | E | 89.4 | Confident | 92.6 | Very high | 198 Ų | 198 | 68 Ų | 68 | 93% | 0.925 | 33% | 0.327 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.2 | -19.7 | 179.8 | -60.1 | -166.5 | 145.5 | 0 | 0 | 114.2 | K55 I59 | K55-E57 PolarHBondContact O-N 3.42Å; E57-I59 VanDerWaalsContact C-N 3.28Å; E57-I59 PolarHBondContact O-N 3.06Å |
| 58 | N | 90.4 | Very high | 92.4 | Very high | 143 Ų | 143 | 71.8 Ų | 71.8 | 77% | 0.765 | 35% | 0.347 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76.7 | -13.6 | 176.1 | -54.8 | -83.5 | 0 | 0 | 0 | 113.2 | N56 P60 | N56-N58 PolarHBondContact O-N 3.28Å; N56-N58 WeakPolarHBondContact OD1-CB 3.41Å; N56-N58 PolarHBondContact OD1-N 3.39Å; N56-N58 VanDerWaalsContact OD1-N 3.14Å; N56-N58 PolarHBondContact OD1-ND2 2.89Å; N58-P60 WeakPolarHBondContact O-CD 3.21Å |
| 59 | I | 91.1 | Very high | 92.4 | Very high | 38 Ų | 38 | 71.4 Ų | 71.4 | 20% | 0.195 | 34% | 0.344 | C | S | . | . | S | Bend | trans | -98.3 | 110.2 | -179.1 | -63.4 | -178.9 | 0 | 0 | 0 | 109 | N44 P47 D53 N56 E57 K61 | N44-I59 WeakPolarHBondContact ND2-CG2 3.5Å; P47-I59 HydrophobicContact CG-CG2 3.71Å; D53-I59 HydrophobicContact CB-CD1 3.92Å; D53-I59 HydrophobicContact CB-CG2 4.47Å; D53-I59 WeakPolarHBondContact OD1-CD1 3.47Å; N56-I59 HydrophobicContact CB-CD1 4.11Å; N56-I59 HydrophobicContact CB-CG1 4.19Å; N56-I59 PolarHBondContact O-N 3.27Å; E57-I59 VanDerWaalsContact C-N 3.28Å; E57-I59 PolarHBondContact O-N 3.06Å; I59-K61 PolarHBondContact O-N 3.37Å |
| 60 | P | 91.9 | Very high | 92.5 | Very high | 49 Ų | 49 | 74 Ų | 74 | 32% | 0.318 | 36% | 0.358 | S | S | . | . | trans | -69.1 | 126.5 | -177.4 | 27.4 | -33.5 | 0 | 0 | 0 | 110.5 | N44 N58 L63 V118 | N44-P60 WeakPolarHBondContact CB-O 3.13Å; N44-P60 PolarHBondContact ND2-O 2.8Å; N58-P60 WeakPolarHBondContact O-CD 3.21Å; P60-L63 HydrophobicContact CB-CD2 4.47Å; P60-L63 HydrophobicContact CG-CD2 4.04Å; P60-V118 HydrophobicContact CB-CG2 3.8Å; P60-V118 HydrophobicContact CG-CG1 4.16Å; P60-V118 HydrophobicContact CG-CG2 4.1Å | ||
| 61 | K | 93.8 | Very high | 92.6 | Very high | 67 Ų | 67 | 68.9 Ų | 68.9 | 29% | 0.291 | 35% | 0.345 | S | S | . | . | S | Bend | trans | -79.4 | -40 | 178.2 | -63.4 | -174.1 | 178.8 | -170.6 | 0 | 112.1 | W8 N44 P47 E54 I59 | W8-K61 HydrophobicContact CB-CD 4.5Å; W8-K61 HydrophobicContact CD2-CB 4.09Å; W8-K61 HydrophobicContact CD2-CD 3.76Å; W8-K61 HydrophobicContact CD2-CG 4.35Å; W8-K61 HydrophobicContact CE3-CB 3.67Å; W8-K61 HydrophobicContact CE3-CD 4.25Å; W8-K61 HydrophobicContact CE3-CG 4.41Å; W8-K61 HydrophobicContact CG-CD 3.86Å; W8-K61 HydrophobicContact CH2-CB 4.18Å; W8-K61 HydrophobicContact CZ2-CD 4.47Å; W8-K61 HydrophobicContact CZ3-CB 3.72Å; N44-K61 PolarHBondContact N-O 3.01Å; P47-K61 HydrophobicContact CB-CG 4.21Å; P47-K61 HydrophobicContact CG-CG 4.24Å; E54-K61 WeakPolarHBondContact O-CE 3.48Å; E54-K61 PolarHBondContact O-NZ 3.01Å; I59-K61 PolarHBondContact O-N 3.37Å |
| 62 | M | 93.1 | Very high | 92.8 | Very high | 19 Ų | 19 | 64 Ų | 64 | 9% | 0.094 | 33% | 0.325 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.9 | 132.8 | 170 | -173.9 | -79.6 | -73.5 | 0 | 0 | 108.7 | M41 W43 C64 L115 | M41-M62 HydrophobicContact CE-CG 3.57Å; M41-M62 HydrophobicContact CE-SD 4.33Å; W43-M62 HydrophobicContact CE3-CB 4.01Å; W43-M62 HydrophobicContact CE3-CG 4.3Å; W43-M62 HydrophobicContact CZ3-CB 4Å; W43-M62 HydrophobicContact CZ3-CG 4.23Å; M62-C64 PolarHBondContact SD-N 3Å; M62-L115 HydrophobicContact CE-CB 4.19Å; M62-L115 HydrophobicContact CE-CD2 4Å |
| 63 | L | 93.3 | Very high | 93 | Very high | 14 Ų | 14 | 56.7 Ų | 56.7 | 7% | 0.073 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.2 | -42.2 | -180 | -64.1 | 177.7 | 0 | 0 | 0 | 112.1 | K27 I42 N44 P60 V118 E119 | K27-L63 HydrophobicContact CB-CD1 3.89Å; K27-L63 HydrophobicContact CD-CD1 4.02Å; I42-L63 HydrophobicContact CG2-CB 4.2Å; I42-L63 HydrophobicContact CG2-CD1 4.34Å; I42-L63 WeakPolarHBondContact O-CB 3.25Å; I42-L63 PolarHBondContact O-N 3.11Å; N44-L63 HydrophobicContact CB-CD1 4.17Å; N44-L63 HydrophobicContact CB-CD2 4.16Å; N44-L63 HydrophobicContact CB-CG 4.04Å; P60-L63 HydrophobicContact CB-CD2 4.47Å; P60-L63 HydrophobicContact CG-CD2 4.04Å; L63-V118 HydrophobicContact CD2-CB 4.49Å; L63-V118 PolarHBondContact O-N 3.44Å; L63-E119 HydrophobicContact CB-CG 4.19Å; L63-E119 PolarHBondContact O-N 3.21Å |
| 64 | C | 92.5 | Very high | 93.2 | Very high | 2 Ų | 2 | 56.1 Ų | 56.1 | 1% | 0.014 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -152.2 | 138.1 | 175.5 | -168.3 | 0 | 0 | 0 | 0 | 111.6 | I42 M62 N117 E119 | I42-C64 HydrophobicContact CB-CB 4.24Å; I42-C64 HydrophobicContact CD1-CB 4.39Å; I42-C64 PolarHBondContact N-O 3.3Å; I42-C64 PolarHBondContact O-N 3.13Å; M62-C64 PolarHBondContact SD-N 3Å; C64-N117 PolarHBondContact SG-ND2 2.94Å; C64-E119 WeakPolarHBondContact CB-O 3.07Å; C64-E119 PolarHBondContact SG-O 3.49Å |
| 65 | Q | 92.4 | Very high | 93.4 | Very high | 27 Ų | 27 | 53.2 Ų | 53.2 | 13% | 0.126 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.5 | 139.6 | 159.3 | 173.9 | 171 | -43.1 | 0 | 0 | 109.7 | M41 V108 N117 | M41-Q65 HydrophobicContact CE-CB 3.94Å; M41-Q65 HydrophobicContact CE-CG 4.42Å; M41-Q65 HydrophobicContact SD-CB 3.61Å; M41-Q65 HydrophobicContact SD-CG 3.56Å; M41-Q65 VanDerWaalsContact SD-CG 3.56Å; Q65-V108 HydrophobicContact CB-CG2 4.22Å; Q65-N117 PolarHBondContact N-OD1 3.07Å; Q65-N117 PolarHBondContact O-ND2 2.96Å |
| 66 | M | 91.6 | Very high | 93.7 | Very high | 6 Ų | 6 | 46 Ų | 46 | 3% | 0.03 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.8 | 133.8 | 172.4 | -55.9 | 176.1 | -64.8 | 0 | 0 | 109.5 | V40 I42 L85 W97 W121 | V40-M66 HydrophobicContact CB-CB 4.34Å; V40-M66 HydrophobicContact CB-CE 3.9Å; V40-M66 HydrophobicContact CG1-CE 3.49Å; V40-M66 VanDerWaalsContact CG1-CE 3.49Å; V40-M66 PolarHBondContact N-O 2.71Å; V40-M66 PolarHBondContact O-N 2.9Å; I42-M66 HydrophobicContact CD1-CE 3.92Å; I42-M66 HydrophobicContact CG1-CE 4.31Å; M66-L85 HydrophobicContact CE-CD2 4.07Å; M66-W97 HydrophobicContact CB-CE3 4.46Å; M66-W97 HydrophobicContact CB-CH2 3.81Å; M66-W97 HydrophobicContact CB-CZ3 3.8Å; M66-W97 HydrophobicContact CE-CD2 4.04Å; M66-W97 HydrophobicContact CE-CE3 4.17Å; M66-W97 HydrophobicContact CE-CG 4.3Å; M66-W97 HydrophobicContact CG-CE3 4.34Å; M66-W97 HydrophobicContact CG-CZ3 4.05Å; M66-W97 HydrophobicContact SD-CD2 3.75Å; M66-W97 HydrophobicContact SD-CE3 3.27Å; M66-W97 HydrophobicContact SD-CG 4.32Å; M66-W97 HydrophobicContact SD-CH2 4.3Å; M66-W97 HydrophobicContact SD-CZ3 3.59Å; M66-W97 VanDerWaalsContact SD-CZ3 3.59Å; M66-W121 HydrophobicContact CE-CB 4.48Å; M66-W121 HydrophobicContact CG-CB 4.45Å; M66-W121 HydrophobicContact SD-CB 3.35Å; M66-W121 WeakPolarHBondContact SD-CB 3.28Å; M66-W121 HydrophobicContact SD-CG 4.23Å |
| 67 | D | 89.7 | Confident | 94 | Very high | 67 Ų | 67 | 43.8 Ų | 43.8 | 36% | 0.358 | 23% | 0.23 | S | C | . | . | trans | -136.2 | 19.2 | -166.1 | 47 | 13.5 | 0 | 0 | 0 | 113.4 | G38 H69 | G38-D67 WeakPolarHBondContact O-CA 3.36Å; D67-H69 VanDerWaalsContact C-N 3.28Å; D67-H69 PolarHBondContact O-N 2.87Å | ||
| 68 | N | 92.4 | Very high | 94.4 | Very high | 80 Ų | 80 | 35 Ų | 35 | 43% | 0.428 | 19% | 0.188 | S | C | . | . | trans | -69.5 | -18.8 | -179.2 | -55.4 | 87.3 | 0 | 0 | 0 | 114.5 | M95 W97 | N68-M95 HydrophobicContact CB-CE 4.26Å; N68-M95 HydrophobicContact CB-SD 3.91Å; N68-M95 WeakPolarHBondContact O-CE 3.22Å; N68-W97 HydrophobicContact CB-CH2 3.81Å; N68-W97 WeakPolarHBondContact OD1-CH2 3.33Å; N68-W97 VanDerWaalsContact OD1-CZ3 3.25Å; N68-W97 WeakPolarHBondContact OD1-CZ3 3.49Å | ||
| 69 | H | 95.1 | Very high | 94.7 | Very high | 1 Ų | 1 | 28.1 Ų | 28.1 | 1% | 0.005 | 15% | 0.151 | C | C | . | . | trans | -73.1 | 126.5 | 175.6 | -88.3 | -75.7 | 0 | 0 | 0 | 110.1 | S37 G38 D67 A71 V73 S87 D91 | S37-H69 WeakPolarHBondContact CB-O 3.49Å; G38-H69 PolarHBondContact N-O 2.85Å; D67-H69 VanDerWaalsContact C-N 3.28Å; D67-H69 PolarHBondContact O-N 2.87Å; H69-A71 VanDerWaalsContact C-N 3.26Å; H69-A71 PolarHBondContact O-N 2.84Å; H69-V73 HydrophobicContact CB-CG2 3.77Å; H69-S87 PolarHBondContact CD2-OG 2.97Å; H69-S87 PolarHBondContact NE2-OG 3Å; H69-D91 WeakPolarHBondContact CA-OD2 3.32Å; H69-D91 IonicContact CE1-OD1 3.64Å; H69-D91 IonicContact CG-OD2 2.82Å; H69-D91 VanDerWaalsContact ND1-CG 3.28Å; H69-D91 IonicContact ND1-OD1 3.61Å; H69-D91 PolarHBondContact ND1-OD1 2.96Å; H69-D91 IonicContact ND1-OD2 3.89Å; H69-D91 PolarHBondContact ND1-OD2 3.45Å | ||
| 70 | L | 94.1 | Very high | 94.7 | Very high | 140 Ų | 140 | 30.9 Ų | 30.9 | 73% | 0.733 | 17% | 0.166 | S | C | * | . | S | Bend | trans | -80.2 | -5.9 | -171.9 | -59.3 | -178.7 | 0 | 0 | 0 | 114 | D91 | L70-D91 HydrophobicContact CB-CB 4.07Å; L70-D91 PolarHBondContact N-OD2 3.31Å |
| 71 | A | 94.9 | Very high | 94.6 | Very high | 30 Ų | 30 | 31.4 Ų | 31.4 | 25% | 0.248 | 17% | 0.166 | C | C | . | . | S | Bend | trans | -152.9 | -174.8 | 176.8 | 0 | 0 | 0 | 0 | 0 | 109.8 | G38 H69 D90 D91 | G38-A71 WeakPolarHBondContact CA-O 3.47Å; G38-A71 PolarHBondContact N-O 3.24Å; H69-A71 VanDerWaalsContact C-N 3.26Å; H69-A71 PolarHBondContact O-N 2.84Å; A71-D90 HydrophobicContact CB-CB 3.61Å; A71-D91 HydrophobicContact CB-CB 4.45Å |
| 72 | C | 95.9 | Very high | 94.5 | Very high | 24 Ų | 24 | 28.5 Ų | 28.5 | 16% | 0.162 | 16% | 0.155 | C | C | . | . | trans | -47.7 | 139.3 | -171.5 | -50.1 | 0 | 0 | 0 | 0 | 113.8 | F17 Q33 G89 D90 | F17-C72 HydrophobicContact CD2-CB 4.43Å; F17-C72 HydrophobicContact CE2-CB 3.96Å; Q33-C72 PolarHBondContact OE1-SG 3.25Å; Q33-C72 VanDerWaalsContact OE1-SG 3.32Å; C72-G89 CarbonylContact O-C 3.58Å; C72-G89 WeakPolarHBondContact O-CA 3.45Å; C72-D90 HydrophobicContact CB-CB 4.4Å; C72-D90 VanDerWaalsContact CB-OD2 3.22Å; C72-D90 WeakPolarHBondContact CB-OD2 3.06Å; C72-D90 PolarHBondContact O-N 3.21Å; C72-D90 PolarHBondContact SG-OD2 3.09Å | ||
| 73 | V | 98.3 | Very high | 94.5 | Very high | 0 Ų | 0 | 32 Ų | 32 | 0% | 0 | 17% | 0.174 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.9 | 111.2 | 169.1 | -174.7 | 0 | 0 | 0 | 0 | 109.9 | G31 G32 V40 H69 V76 | G31-V73 CarbonylContact C-O 3.56Å; G32-V73 PolarHBondContact N-O 3.14Å; G32-V73 PolarHBondContact O-N 3.17Å; V40-V73 HydrophobicContact CG2-CB 4.46Å; V40-V73 HydrophobicContact CG2-CG1 4.08Å; V40-V73 HydrophobicContact CG2-CG2 3.93Å; H69-V73 HydrophobicContact CB-CG2 3.77Å; V73-V76 HydrophobicContact CG1-CG1 3.95Å |
| 74 | N | 98.2 | Very high | 94.7 | Very high | 0 Ų | 0 | 34 Ų | 34 | 0% | 0 | 18% | 0.181 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.9 | -29.6 | -173.4 | -61.2 | -35.5 | 0 | 0 | 0 | 113.1 | G88 D90 V134 R227 | N74-G88 PolarHBondContact N-O 2.71Å; N74-D90 PolarHBondContact ND2-OD1 3.12Å; N74-V134 WeakPolarHBondContact CB-O 3.37Å; N74-V134 PolarHBondContact ND2-O 3.15Å; N74-R227 PolarHBondContact O-NH2 2.91Å |
| 75 | C | 98.5 | Very high | 95 | Very high | 0 Ų | 0 | 34 Ų | 34 | 0% | 0 | 18% | 0.181 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.1 | 143.3 | 178 | -160.7 | 0 | 0 | 0 | 0 | 112.3 | S87 G88 D136 V137 | C75-S87 CarbonylContact O-C 3.59Å; C75-S87 VanDerWaalsContact O-CA 3.24Å; C75-S87 WeakPolarHBondContact O-CA 3.42Å; C75-G88 PolarHBondContact N-O 3.28Å; C75-G88 PolarHBondContact O-N 3.29Å; C75-D136 PolarHBondContact SG-OD1 3.27Å; C75-V137 HydrophobicContact CB-CG2 4.12Å |
| 76 | V | 98.7 | Very high | 95.3 | Very high | 0 Ų | 0 | 32.7 Ų | 32.7 | 0% | 0 | 18% | 0.175 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.5 | 136.4 | 166.6 | -67.7 | 0 | 0 | 0 | 0 | 109.3 | S18 D20 A29 V40 V73 L85 A86 | S18-V76 PolarHBondContact OG-N 3.34Å; S18-V76 PolarHBondContact OG-O 3Å; D20-V76 HydrophobicContact CB-CG2 4.46Å; A29-V76 HydrophobicContact CB-CB 4.5Å; A29-V76 HydrophobicContact CB-CG2 4.2Å; V40-V76 HydrophobicContact CG1-CG1 4.11Å; V40-V76 HydrophobicContact CG2-CG1 4.36Å; V73-V76 HydrophobicContact CG1-CG1 3.95Å; V76-L85 HydrophobicContact CB-CD1 4.28Å; V76-A86 CarbonylContact C-O 3.53Å; V76-A86 VanDerWaalsContact CA-O 3.29Å; V76-A86 WeakPolarHBondContact CA-O 3.46Å |
| 77 | R | 98.4 | Very high | 95.6 | Very high | 15 Ų | 15 | 32.4 Ų | 32.4 | 6% | 0.057 | 17% | 0.173 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.7 | 132.2 | 173.8 | -66.2 | -59.9 | 169.2 | -143.9 | -15.5 | 113.8 | V19 D20 A86 V137 W139 D333 | V19-R77 PolarHBondContact O-NH1 3.36Å; V19-R77 VanDerWaalsContact O-NH1 3.12Å; D20-R77 WeakPolarHBondContact OD1-CD 3.25Å; D20-R77 IonicContact OD1-CZ 3.85Å; D20-R77 IonicContact OD1-NH1 3.09Å; D20-R77 PolarHBondContact OD1-NH1 3.32Å; D20-R77 WeakPolarHBondContact OD2-CA 3.47Å; R77-A86 PolarHBondContact N-O 3.15Å; R77-A86 PolarHBondContact O-N 3.37Å; R77-V137 HydrophobicContact CB-CG2 4.25Å; R77-V137 HydrophobicContact CG-CG2 4.1Å; R77-V137 WeakPolarHBondContact CG-O 3.34Å; R77-W139 PolarHBondContact O-NE1 2.73Å; R77-D333 IonicContact CZ-OD1 3.43Å; R77-D333 IonicContact CZ-OD2 3.24Å; R77-D333 VanDerWaalsContact CZ-OD2 3.28Å; R77-D333 IonicContact NH1-OD1 3.57Å; R77-D333 IonicContact NH1-OD2 3.16Å; R77-D333 PolarHBondContact NH1-OD2 3.38Å; R77-D333 VanDerWaalsContact NH1-OD2 3.07Å; R77-D333 IonicContact NH2-OD1 2.64Å; R77-D333 PolarHBondContact NH2-OD1 3.44Å; R77-D333 IonicContact NH2-OD2 3.61Å; R77-D333 PolarHBondContact NH2-OD2 3.21Å |
| 78 | W | 98.3 | Very high | 96 | Very high | 12 Ų | 12 | 29.2 Ų | 29.2 | 5% | 0.045 | 16% | 0.156 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -72.3 | 144 | 168 | -65 | 103.9 | 0 | 0 | 0 | 111.2 | D20 I21 H22 P23 A29 I42 Y84 L85 W121 W139 | D20-W78 PolarHBondContact O-NE1 3.49Å; D20-W78 PolarHBondContact OD2-N 2.95Å; I21-W78 VanDerWaalsContact C-CD1 3.41Å; I21-W78 VanDerWaalsContact O-CD1 3.3Å; H22-W78 HydrophobicContact CB-CD2 4.19Å; H22-W78 HydrophobicContact CB-CG 4.4Å; H22-W78 HydrophobicContact CB-CZ2 4.25Å; H22-W78 AromaticContact CD2-CD2 3.68Å; H22-W78 AromaticContact CD2-CE2 3.95Å; H22-W78 AromaticContact CD2-CE3 3.54Å; H22-W78 AromaticContact CD2-CH2 3.96Å; H22-W78 AromaticContact CD2-CZ3 3.68Å; P23-W78 HydrophobicContact CG-CB 4.49Å; A29-W78 HydrophobicContact CB-CZ2 3.95Å; I42-W78 HydrophobicContact CD1-CH2 4.07Å; I42-W78 HydrophobicContact CD1-CZ2 4.49Å; W78-Y84 WeakPolarHBondContact CA-O 3.35Å; W78-L85 HydrophobicContact CD2-CB 4.48Å; W78-L85 HydrophobicContact CD2-CD1 3.78Å; W78-L85 HydrophobicContact CE3-CB 3.85Å; W78-L85 HydrophobicContact CE3-CD1 4.03Å; W78-L85 HydrophobicContact CG-CD1 4.2Å; W78-L85 HydrophobicContact CH2-CB 4.1Å; W78-L85 HydrophobicContact CH2-CD1 4.38Å; W78-L85 HydrophobicContact CH2-CD2 4.28Å; W78-L85 HydrophobicContact CZ2-CD1 4.15Å; W78-L85 HydrophobicContact CZ2-CD2 4.4Å; W78-L85 HydrophobicContact CZ3-CB 3.64Å; W78-L85 HydrophobicContact CZ3-CD1 4.32Å; W78-L85 HydrophobicContact CZ3-CG 4.42Å; W78-W121 AromaticContact CH2-CH2 3.56Å; W78-W121 HydrophobicContact CH2-CH2 3.56Å; W78-W121 AromaticContact CH2-CZ2 3.84Å; W78-W121 HydrophobicContact CH2-CZ2 3.84Å; W78-W121 HydrophobicContact CH2-CZ3 4.03Å; W78-W121 AromaticContact CZ3-CH2 3.35Å; W78-W121 HydrophobicContact CZ3-CH2 3.35Å; W78-W121 HydrophobicContact CZ3-CZ2 4.11Å; W78-W121 AromaticContact CZ3-CZ3 3.66Å; W78-W121 HydrophobicContact CZ3-CZ3 3.66Å; W78-W139 VanDerWaalsContact C-CD1 3.43Å; W78-W139 PolarHBondContact O-NE1 3.17Å |
| 79 | S | 96.9 | Very high | 96.3 | Very high | 0 Ų | 0 | 25.4 Ų | 25.4 | 0% | 0 | 14% | 0.136 | C | C | . | . | trans | -63.9 | 150.1 | 160.7 | 58.7 | 0 | 0 | 0 | 0 | 109.3 | P23 N81 G82 L83 Y84 | P23-S79 WeakPolarHBondContact CG-O 3.41Å; S79-N81 PolarHBondContact O-N 3.28Å; S79-N81 VanDerWaalsContact O-N 3.11Å; S79-N81 PolarHBondContact OG-OD1 2.84Å; S79-G82 PolarHBondContact O-N 3.18Å; S79-L83 PolarHBondContact OG-N 2.75Å; S79-Y84 PolarHBondContact N-O 2.92Å; S79-Y84 PolarHBondContact OG-N 2.96Å; S79-Y84 PolarHBondContact OG-O 3.45Å | ||
| 80 | N | 91.8 | Very high | 96.4 | Very high | 95 Ų | 95 | 27.5 Ų | 27.5 | 51% | 0.508 | 15% | 0.147 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -58.5 | -28.9 | -178.5 | -62.6 | -92.6 | 0 | 0 | 0 | 111.9 | P23 S140 D143 | P23-N80 WeakPolarHBondContact CG-O 3.47Å; N80-S140 PolarHBondContact ND2-O 2.74Å; N80-D143 WeakPolarHBondContact CB-OD1 3.21Å; N80-D143 PolarHBondContact N-OD1 2.77Å; N80-D143 PolarHBondContact N-OD2 2.82Å; N80-D143 PolarHBondContact ND2-OD1 3.18Å |
| 81 | N | 89.1 | Confident | 96.5 | Very high | 60 Ų | 60 | 22 Ų | 22 | 32% | 0.321 | 12% | 0.119 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -84.3 | -3.2 | 174.4 | 65.8 | 34.9 | 0 | 0 | 0 | 115.8 | S79 L83 D143 | S79-N81 PolarHBondContact O-N 3.28Å; S79-N81 VanDerWaalsContact O-N 3.11Å; S79-N81 PolarHBondContact OG-OD1 2.84Å; N81-L83 HydrophobicContact CB-CG 4.36Å; N81-L83 PolarHBondContact O-N 2.88Å; N81-L83 VanDerWaalsContact O-N 3.12Å; N81-L83 WeakPolarHBondContact OD1-CB 3.45Å; N81-L83 WeakPolarHBondContact OD1-CG 3.16Å; N81-L83 PolarHBondContact OD1-N 2.78Å; N81-D143 WeakPolarHBondContact CB-OD2 3.45Å; N81-D143 PolarHBondContact N-OD2 2.82Å; N81-D143 PolarHBondContact ND2-OD2 3.5Å |
| 82 | G | 92.6 | Very high | 96.6 | Very high | 6 Ų | 6 | 25 Ų | 25 | 6% | 0.062 | 13% | 0.126 | C | C | . | . | S | Bend | trans | 70.7 | -4.3 | -179.5 | 0 | 0 | 0 | 0 | 0 | 116.2 | H22 S79 Y84 | H22-G82 PolarHBondContact NE2-O 2.9Å; S79-G82 PolarHBondContact O-N 3.18Å; G82-Y84 VanDerWaalsContact C-N 3.29Å; G82-Y84 PolarHBondContact O-N 2.73Å |
| 83 | L | 92.8 | Very high | 96.7 | Very high | 93 Ų | 93 | 25 Ų | 25 | 49% | 0.487 | 12% | 0.124 | S | C | . | . | S | Bend | trans | -70.6 | -24 | -177 | -59.1 | 177.3 | 0 | 0 | 0 | 113.4 | S79 N81 | S79-L83 PolarHBondContact OG-N 2.75Å; N81-L83 HydrophobicContact CB-CG 4.36Å; N81-L83 PolarHBondContact O-N 2.88Å; N81-L83 VanDerWaalsContact O-N 3.12Å; N81-L83 WeakPolarHBondContact OD1-CB 3.45Å; N81-L83 WeakPolarHBondContact OD1-CG 3.16Å; N81-L83 PolarHBondContact OD1-N 2.78Å |
| 84 | Y | 96.9 | Very high | 96.7 | Very high | 57 Ų | 57 | 25 Ų | 25 | 22% | 0.224 | 13% | 0.125 | C | C | . | . | trans | -132.1 | 142.1 | -177.1 | -60.9 | -68.2 | 0 | 0 | 0 | 112.2 | W78 S79 G82 V96 W97 K98 V124 W139 | W78-Y84 WeakPolarHBondContact CA-O 3.35Å; S79-Y84 PolarHBondContact N-O 2.92Å; S79-Y84 PolarHBondContact OG-N 2.96Å; S79-Y84 PolarHBondContact OG-O 3.45Å; G82-Y84 VanDerWaalsContact C-N 3.29Å; G82-Y84 PolarHBondContact O-N 2.73Å; Y84-V96 HydrophobicContact CD1-CG1 3.85Å; Y84-V96 HydrophobicContact CG-CG1 4.04Å; Y84-W97 VanDerWaalsContact CA-O 3.29Å; Y84-W97 WeakPolarHBondContact CA-O 3.44Å; Y84-K98 HydrophobicContact CD1-CB 4.16Å; Y84-K98 HydrophobicContact CD1-CD 4.47Å; Y84-K98 HydrophobicContact CD1-CG 4.49Å; Y84-K98 HydrophobicContact CE1-CB 4.15Å; Y84-K98 HydrophobicContact CE1-CD 3.78Å; Y84-K98 HydrophobicContact CE1-CG 4.27Å; Y84-V124 HydrophobicContact CD1-CG2 4.22Å; Y84-V124 HydrophobicContact CE1-CG2 4.08Å; Y84-W139 HydrophobicContact CD2-CH2 4.27Å; Y84-W139 HydrophobicContact CG-CH2 4.24Å | ||
| 85 | L | 98.4 | Very high | 96.7 | Very high | 0 Ų | 0 | 25.2 Ų | 25.2 | 0% | 0 | 13% | 0.125 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.5 | 135.8 | 159.2 | -176.3 | 62.8 | 0 | 0 | 0 | 107.4 | A29 V40 I42 M66 V76 W78 V96 W97 | A29-L85 HydrophobicContact CB-CD1 3.88Å; A29-L85 HydrophobicContact CB-CD2 3.97Å; V40-L85 HydrophobicContact CG1-CD2 3.79Å; I42-L85 HydrophobicContact CD1-CD2 4.42Å; M66-L85 HydrophobicContact CE-CD2 4.07Å; V76-L85 HydrophobicContact CB-CD1 4.28Å; W78-L85 HydrophobicContact CD2-CB 4.48Å; W78-L85 HydrophobicContact CD2-CD1 3.78Å; W78-L85 HydrophobicContact CE3-CB 3.85Å; W78-L85 HydrophobicContact CE3-CD1 4.03Å; W78-L85 HydrophobicContact CG-CD1 4.2Å; W78-L85 HydrophobicContact CH2-CB 4.1Å; W78-L85 HydrophobicContact CH2-CD1 4.38Å; W78-L85 HydrophobicContact CH2-CD2 4.28Å; W78-L85 HydrophobicContact CZ2-CD1 4.15Å; W78-L85 HydrophobicContact CZ2-CD2 4.4Å; W78-L85 HydrophobicContact CZ3-CB 3.64Å; W78-L85 HydrophobicContact CZ3-CD1 4.32Å; W78-L85 HydrophobicContact CZ3-CG 4.42Å; L85-V96 CarbonylContact O-C 3.44Å; L85-V96 WeakPolarHBondContact O-CA 3.32Å; L85-W97 HydrophobicContact CB-CB 4.22Å; L85-W97 PolarHBondContact N-O 3.12Å; L85-W97 PolarHBondContact O-N 2.91Å |
| 86 | A | 98.7 | Very high | 96.7 | Very high | 0 Ų | 0 | 25.2 Ų | 25.2 | 0% | 0 | 13% | 0.125 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.4 | 143.2 | 164.1 | 0 | 0 | 0 | 0 | 0 | 109.2 | V76 R77 M95 V137 W139 L146 | V76-A86 CarbonylContact C-O 3.53Å; V76-A86 VanDerWaalsContact CA-O 3.29Å; V76-A86 WeakPolarHBondContact CA-O 3.46Å; R77-A86 PolarHBondContact N-O 3.15Å; R77-A86 PolarHBondContact O-N 3.37Å; A86-M95 CarbonylContact C-O 3.47Å; A86-M95 WeakPolarHBondContact CA-O 3.44Å; A86-V137 HydrophobicContact CB-CG2 4.11Å; A86-W139 HydrophobicContact CB-CZ2 3.82Å; A86-L146 HydrophobicContact CB-CD1 4.08Å; A86-L146 HydrophobicContact CB-CD2 3.87Å |
| 87 | S | 98.8 | Very high | 96.6 | Very high | 0 Ų | 0 | 25.3 Ų | 25.3 | 0% | 0 | 13% | 0.126 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.9 | 144.8 | 169.8 | 61.2 | 0 | 0 | 0 | 0 | 111.3 | H69 C75 V94 M95 W97 | H69-S87 PolarHBondContact CD2-OG 2.97Å; H69-S87 PolarHBondContact NE2-OG 3Å; C75-S87 CarbonylContact O-C 3.59Å; C75-S87 VanDerWaalsContact O-CA 3.24Å; C75-S87 WeakPolarHBondContact O-CA 3.42Å; S87-V94 CarbonylContact O-C 3.53Å; S87-V94 VanDerWaalsContact O-CA 3.27Å; S87-V94 WeakPolarHBondContact O-CA 3.49Å; S87-M95 PolarHBondContact N-O 3.32Å; S87-M95 PolarHBondContact O-N 2.71Å; S87-W97 PolarHBondContact OG-NE1 3.31Å |
| 88 | G | 98.3 | Very high | 96.4 | Very high | 0 Ų | 0 | 28 Ų | 28 | 0% | 0 | 14% | 0.138 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.7 | 145.1 | 176.8 | 0 | 0 | 0 | 0 | 0 | 111.5 | N74 C75 L93 | N74-G88 PolarHBondContact N-O 2.71Å; C75-G88 PolarHBondContact N-O 3.28Å; C75-G88 PolarHBondContact O-N 3.29Å; G88-L93 WeakPolarHBondContact CA-O 3.48Å |
| 89 | G | 96.9 | Very high | 96.1 | Very high | 0 Ų | 0 | 33.7 Ų | 33.7 | 0% | 0 | 16% | 0.159 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -154.1 | -177.9 | -173.8 | 0 | 0 | 0 | 0 | 0 | 116.5 | C72 D91 K92 L93 V134 | C72-G89 CarbonylContact O-C 3.58Å; C72-G89 WeakPolarHBondContact O-CA 3.45Å; G89-D91 PolarHBondContact O-N 3.16Å; G89-K92 PolarHBondContact O-N 3.19Å; G89-L93 PolarHBondContact N-O 2.95Å; G89-V134 PolarHBondContact O-N 2.88Å |
| 90 | D | 97.6 | Very high | 95.5 | Very high | 45 Ų | 45 | 35.3 Ų | 35.3 | 24% | 0.241 | 17% | 0.172 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -66.4 | -16.4 | -178.6 | -67.7 | -3.8 | 0 | 0 | 0 | 113 | A71 C72 N74 K92 | A71-D90 HydrophobicContact CB-CB 3.61Å; C72-D90 HydrophobicContact CB-CB 4.4Å; C72-D90 VanDerWaalsContact CB-OD2 3.22Å; C72-D90 WeakPolarHBondContact CB-OD2 3.06Å; C72-D90 PolarHBondContact O-N 3.21Å; C72-D90 PolarHBondContact SG-OD2 3.09Å; N74-D90 PolarHBondContact ND2-OD1 3.12Å; D90-K92 PolarHBondContact O-N 2.75Å |
| 91 | D | 96.3 | Very high | 94.6 | Very high | 26 Ų | 26 | 35.4 Ų | 35.4 | 14% | 0.139 | 19% | 0.186 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -74.6 | 3.7 | 170.9 | 68.5 | -3.1 | 0 | 0 | 0 | 113.5 | H69 L70 A71 G89 L93 | H69-D91 WeakPolarHBondContact CA-OD2 3.32Å; H69-D91 IonicContact CE1-OD1 3.64Å; H69-D91 IonicContact CG-OD2 2.82Å; H69-D91 VanDerWaalsContact ND1-CG 3.28Å; H69-D91 IonicContact ND1-OD1 3.61Å; H69-D91 PolarHBondContact ND1-OD1 2.96Å; H69-D91 IonicContact ND1-OD2 3.89Å; H69-D91 PolarHBondContact ND1-OD2 3.45Å; L70-D91 HydrophobicContact CB-CB 4.07Å; L70-D91 PolarHBondContact N-OD2 3.31Å; A71-D91 HydrophobicContact CB-CB 4.45Å; G89-D91 PolarHBondContact O-N 3.16Å; D91-L93 HydrophobicContact CB-CG 4.5Å; D91-L93 WeakPolarHBondContact O-CG 3.34Å; D91-L93 PolarHBondContact O-N 2.65Å; D91-L93 WeakPolarHBondContact OD1-CB 3.31Å; D91-L93 PolarHBondContact OD1-N 2.94Å |
| 92 | K | 97.6 | Very high | 93 | Very high | 92 Ų | 92 | 40 Ų | 40 | 40% | 0.4 | 21% | 0.21 | S | C | . | . | S | Bend | trans | 71.8 | 10.9 | 174.2 | -41.2 | 178.8 | 173.9 | -163.8 | 0 | 113.6 | G89 D90 T131 | G89-K92 PolarHBondContact O-N 3.19Å; D90-K92 PolarHBondContact O-N 2.75Å; K92-T131 WeakPolarHBondContact CD-O 3.24Å; K92-T131 WeakPolarHBondContact CE-O 3.41Å; K92-T131 PolarHBondContact NZ-O 3.38Å |
| 93 | L | 97.4 | Very high | 90.9 | Very high | 24 Ų | 24 | 47.8 Ų | 47.8 | 13% | 0.126 | 25% | 0.249 | C | C | . | . | P | Polyproline II helix | trans | -100.2 | 147.4 | -177.5 | -54 | 179.6 | 0 | 0 | 0 | 110.9 | G88 G89 D91 M95 I126 R128 | G88-L93 WeakPolarHBondContact CA-O 3.48Å; G89-L93 PolarHBondContact N-O 2.95Å; D91-L93 HydrophobicContact CB-CG 4.5Å; D91-L93 WeakPolarHBondContact O-CG 3.34Å; D91-L93 PolarHBondContact O-N 2.65Å; D91-L93 WeakPolarHBondContact OD1-CB 3.31Å; D91-L93 PolarHBondContact OD1-N 2.94Å; L93-M95 HydrophobicContact CB-CE 4.4Å; L93-M95 HydrophobicContact CD1-CE 3.58Å; L93-I126 HydrophobicContact CB-CG2 3.98Å; L93-I126 HydrophobicContact CD1-CG2 3.92Å; L93-I126 HydrophobicContact CD2-CG2 3.89Å; L93-I126 HydrophobicContact CG-CG2 4.14Å; L93-R128 HydrophobicContact CD2-CG 3.74Å |
| 94 | V | 98.6 | Very high | 88.7 | Confident | 1 Ų | 1 | 44.8 Ų | 44.8 | 1% | 0.006 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104 | 121.8 | 153.1 | 177.5 | 0 | 0 | 0 | 0 | 107.8 | S87 I126 L127 V134 V137 L146 | S87-V94 CarbonylContact O-C 3.53Å; S87-V94 VanDerWaalsContact O-CA 3.27Å; S87-V94 WeakPolarHBondContact O-CA 3.49Å; V94-I126 CarbonylContact O-C 3.56Å; V94-I126 WeakPolarHBondContact O-CA 3.43Å; V94-L127 HydrophobicContact CB-CB 4.14Å; V94-L127 HydrophobicContact CB-CD1 4.21Å; V94-L127 HydrophobicContact CB-CG 4.34Å; V94-L127 HydrophobicContact CG1-CD1 3.93Å; V94-L127 HydrophobicContact CG1-CG 4.42Å; V94-L127 PolarHBondContact N-O 2.77Å; V94-L127 PolarHBondContact O-N 3.22Å; V94-V134 HydrophobicContact CG2-CG1 3.92Å; V94-V134 HydrophobicContact CG2-CG2 4.27Å; V94-V137 HydrophobicContact CG1-CG1 4.16Å; V94-V137 HydrophobicContact CG2-CG1 3.91Å; V94-L146 HydrophobicContact CG1-CD2 4.14Å |
| 95 | M | 98.4 | Very high | 86.5 | Confident | 4 Ų | 4 | 48 Ų | 48 | 2% | 0.02 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.5 | 134.2 | 172.4 | -61.5 | -163.7 | -170.4 | 0 | 0 | 109.5 | N68 A86 S87 L93 W97 I126 | N68-M95 HydrophobicContact CB-CE 4.26Å; N68-M95 HydrophobicContact CB-SD 3.91Å; N68-M95 WeakPolarHBondContact O-CE 3.22Å; A86-M95 CarbonylContact C-O 3.47Å; A86-M95 WeakPolarHBondContact CA-O 3.44Å; S87-M95 PolarHBondContact N-O 3.32Å; S87-M95 PolarHBondContact O-N 2.71Å; L93-M95 HydrophobicContact CB-CE 4.4Å; L93-M95 HydrophobicContact CD1-CE 3.58Å; M95-W97 HydrophobicContact CB-CZ2 3.88Å; M95-W97 HydrophobicContact CG-CZ2 4.41Å; M95-W97 HydrophobicContact SD-CH2 4.06Å; M95-W97 HydrophobicContact SD-CZ2 3.74Å; M95-I126 HydrophobicContact CE-CD1 4.49Å; M95-I126 HydrophobicContact CG-CG1 4.25Å; M95-I126 HydrophobicContact CG-CG2 4.41Å |
| 96 | V | 98.3 | Very high | 84.2 | Confident | 0 Ų | 0 | 50.7 Ų | 50.7 | 0% | 0 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.6 | 131.2 | 171.9 | -172.2 | 0 | 0 | 0 | 0 | 108.5 | Y84 L85 C123 V124 T125 L127 W139 L146 F163 | Y84-V96 HydrophobicContact CD1-CG1 3.85Å; Y84-V96 HydrophobicContact CG-CG1 4.04Å; L85-V96 CarbonylContact O-C 3.44Å; L85-V96 WeakPolarHBondContact O-CA 3.32Å; V96-C123 CarbonylContact O-C 3.52Å; V96-C123 WeakPolarHBondContact O-CA 3.4Å; V96-V124 HydrophobicContact CB-CG2 4.35Å; V96-V124 HydrophobicContact CG1-CG2 4.24Å; V96-V124 VanDerWaalsContact O-CG2 3.23Å; V96-V124 WeakPolarHBondContact O-CG2 3.39Å; V96-V124 PolarHBondContact O-N 2.88Å; V96-T125 HydrophobicContact CB-CG2 3.64Å; V96-T125 HydrophobicContact CG2-CG2 3.83Å; V96-T125 PolarHBondContact N-O 2.99Å; V96-T125 PolarHBondContact O-N 3.48Å; V96-L127 HydrophobicContact CG2-CD1 4.07Å; V96-L127 HydrophobicContact CG2-CG 4.39Å; V96-W139 HydrophobicContact CG1-CH2 4.12Å; V96-W139 HydrophobicContact CG1-CZ2 4.31Å; V96-L146 HydrophobicContact CG2-CD2 4.03Å; V96-F163 HydrophobicContact CG1-CE2 4.21Å; V96-F163 HydrophobicContact CG2-CE1 4.43Å; V96-F163 HydrophobicContact CG2-CE2 4.3Å; V96-F163 HydrophobicContact CG2-CZ 4.1Å |
| 97 | W | 96.9 | Very high | 81.9 | Confident | 1 Ų | 1 | 56.1 Ų | 56.1 | 0% | 0.004 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119 | 146.6 | -171 | -45.6 | 81.2 | 0 | 0 | 0 | 111.1 | M66 N68 Y84 L85 S87 M95 W121 R122 C123 | M66-W97 HydrophobicContact CB-CE3 4.46Å; M66-W97 HydrophobicContact CB-CH2 3.81Å; M66-W97 HydrophobicContact CB-CZ3 3.8Å; M66-W97 HydrophobicContact CE-CD2 4.04Å; M66-W97 HydrophobicContact CE-CE3 4.17Å; M66-W97 HydrophobicContact CE-CG 4.3Å; M66-W97 HydrophobicContact CG-CE3 4.34Å; M66-W97 HydrophobicContact CG-CZ3 4.05Å; M66-W97 HydrophobicContact SD-CD2 3.75Å; M66-W97 HydrophobicContact SD-CE3 3.27Å; M66-W97 HydrophobicContact SD-CG 4.32Å; M66-W97 HydrophobicContact SD-CH2 4.3Å; M66-W97 HydrophobicContact SD-CZ3 3.59Å; M66-W97 VanDerWaalsContact SD-CZ3 3.59Å; N68-W97 HydrophobicContact CB-CH2 3.81Å; N68-W97 WeakPolarHBondContact OD1-CH2 3.33Å; N68-W97 VanDerWaalsContact OD1-CZ3 3.25Å; N68-W97 WeakPolarHBondContact OD1-CZ3 3.49Å; Y84-W97 VanDerWaalsContact CA-O 3.29Å; Y84-W97 WeakPolarHBondContact CA-O 3.44Å; L85-W97 HydrophobicContact CB-CB 4.22Å; L85-W97 PolarHBondContact N-O 3.12Å; L85-W97 PolarHBondContact O-N 2.91Å; S87-W97 PolarHBondContact OG-NE1 3.31Å; M95-W97 HydrophobicContact CB-CZ2 3.88Å; M95-W97 HydrophobicContact CG-CZ2 4.41Å; M95-W97 HydrophobicContact SD-CH2 4.06Å; M95-W97 HydrophobicContact SD-CZ2 3.74Å; W97-W121 HydrophobicContact CB-CE3 4.22Å; W97-R122 CarbonylContact C-O 3.56Å; W97-R122 VanDerWaalsContact CA-O 3.27Å; W97-R122 WeakPolarHBondContact CA-O 3.26Å; W97-C123 HydrophobicContact CD2-CB 4.38Å; W97-C123 HydrophobicContact CE3-CB 3.84Å; W97-C123 HydrophobicContact CZ3-CB 3.93Å |
| 98 | K | 94.6 | Very high | 79.7 | Confident | 72 Ų | 72 | 56.9 Ų | 56.9 | 31% | 0.313 | 33% | 0.325 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.3 | 141.7 | 174.2 | -170.3 | 170.9 | -167.7 | 166.3 | 0 | 110.5 | Y84 R122 V124 | Y84-K98 HydrophobicContact CD1-CB 4.16Å; Y84-K98 HydrophobicContact CD1-CD 4.47Å; Y84-K98 HydrophobicContact CD1-CG 4.49Å; Y84-K98 HydrophobicContact CE1-CB 4.15Å; Y84-K98 HydrophobicContact CE1-CD 3.78Å; Y84-K98 HydrophobicContact CE1-CG 4.27Å; K98-R122 PolarHBondContact N-O 2.9Å; K98-R122 PolarHBondContact O-N 2.99Å; K98-V124 HydrophobicContact CB-CG1 3.61Å; K98-V124 HydrophobicContact CB-CG2 4.31Å |
| 99 | R | 90.8 | Very high | 77 | Confident | 132 Ų | 132 | 66.7 Ų | 66.7 | 50% | 0.498 | 37% | 0.368 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -61.3 | 136.6 | 173.2 | -163.3 | -179.6 | 178.1 | 170.3 | 8.7 | 110.3 | E119 Q120 W121 | R99-E119 VanDerWaalsContact CZ-CD 3.42Å; R99-E119 IonicContact CZ-OE1 3.76Å; R99-E119 IonicContact CZ-OE2 2.68Å; R99-E119 IonicContact NE-OE1 2.67Å; R99-E119 IonicContact NE-OE2 2.59Å; R99-E119 IonicContact NH1-OE1 2.7Å; R99-E119 PolarHBondContact NH1-OE1 3.4Å; R99-E119 IonicContact NH2-OE1 2.87Å; R99-E119 PolarHBondContact NH2-OE1 2.86Å; R99-Q120 WeakPolarHBondContact CA-O 3.34Å; R99-W121 HydrophobicContact CB-CD2 4.09Å; R99-W121 HydrophobicContact CB-CE3 4.24Å; R99-W121 HydrophobicContact CB-CH2 3.82Å; R99-W121 HydrophobicContact CB-CZ2 3.7Å; R99-W121 HydrophobicContact CB-CZ3 4.11Å; R99-W121 HydrophobicContact CG-CZ2 4.06Å; R99-W121 VanDerWaalsContact N-CZ3 3.28Å |
| 100 | A | 85.1 | Confident | 74.6 | Confident | 33 Ų | 33 | 70.5 Ų | 70.5 | 27% | 0.273 | 41% | 0.407 | S | S | . | . | trans | -81 | 150.1 | 171.9 | 0 | 0 | 0 | 0 | 0 | 111.1 | Q120 | A100-Q120 HydrophobicContact CB-CB 3.95Å; A100-Q120 PolarHBondContact N-O 2.89Å | ||
| 101 | A | 72.8 | Confident | 72.2 | Confident | 97 Ų | 97 | 70.6 Ų | 70.6 | 80% | 0.802 | 41% | 0.411 | S | S | * | . | S | Bend | trans | -99.7 | -17.5 | -171.7 | 0 | 0 | 0 | 0 | 0 | 115.1 | ||
| 102 | L | 55.1 | Low | 69.8 | Low | 156 Ų | 156 | 73.7 Ų | 73.7 | 82% | 0.817 | 44% | 0.435 | S | S | * | . | S | Bend | trans | -109.3 | 146.2 | 177.8 | -115.3 | 72.7 | 0 | 0 | 0 | 111 | ||
| 103 | I | 47.9 | Very low | 67.2 | Low | 170 Ų | 170 | 75.7 Ų | 75.7 | 87% | 0.872 | 46% | 0.461 | S | S | * | . | trans | -111.3 | 128.3 | -162.3 | -59 | 174.2 | 0 | 0 | 0 | 112.2 | ||||
| 104 | G | 47.8 | Very low | 65 | Low | 31 Ų | 31 | 83.7 Ų | 83.7 | 32% | 0.32 | 50% | 0.495 | S | S | . | . | trans | -149.4 | 145.4 | 149.2 | 0 | 0 | 0 | 0 | 0 | 108.2 | S106 Q120 | G104-S106 PolarHBondContact O-N 2.9Å; G104-Q120 PolarHBondContact O-NE2 2.85Å | ||
| 105 | P | 49.4 | Very low | 63 | Low | 124 Ų | 124 | 87.4 Ų | 87.4 | 81% | 0.805 | 51% | 0.514 | S | S | * | . | trans | -64.1 | 125.4 | 175.4 | 26.6 | -33.1 | 0 | 0 | 0 | 109.5 | ||||
| 106 | S | 51.2 | Low | 61.4 | Low | 56 Ų | 56 | 89.7 Ų | 89.7 | 39% | 0.392 | 53% | 0.533 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.9 | 126.5 | 177.1 | -169.7 | 0 | 0 | 0 | 0 | 110.1 | G104 N117 | G104-S106 PolarHBondContact O-N 2.9Å; S106-N117 PolarHBondContact O-N 3.06Å |
| 107 | T | 50 | Low | 60.3 | Low | 115 Ų | 115 | 90.7 Ų | 90.7 | 71% | 0.706 | 54% | 0.539 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -83.4 | 129.5 | 176.7 | 51.7 | 0 | 0 | 0 | 0 | 110.3 | F109 | T107-F109 PolarHBondContact O-N 2.84Å |
| 108 | V | 52.1 | Low | 59.7 | Low | 16 Ų | 16 | 94.9 Ų | 94.9 | 10% | 0.097 | 56% | 0.564 | C | S | . | * | P | Polyproline II helix | trans | -60.2 | 126.9 | 171.3 | 179.4 | 0 | 0 | 0 | 0 | 109.2 | Q65 G110 S111 | Q65-V108 HydrophobicContact CB-CG2 4.22Å; V108-G110 PolarHBondContact O-N 2.89Å; V108-S111 WeakPolarHBondContact O-CB 3.3Å; V108-S111 PolarHBondContact O-N 3.35Å; V108-S111 VanDerWaalsContact O-N 3.13Å |
| 109 | F | 41.9 | Very low | 59.5 | Low | 206 Ų | 206 | 92.2 Ų | 92.2 | 90% | 0.904 | 55% | 0.553 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -62.7 | 127.8 | -173.9 | -171.7 | -93.4 | 0 | 0 | 0 | 110.9 | T107 S111 | T107-F109 PolarHBondContact O-N 2.84Å; F109-S111 PolarHBondContact O-N 2.91Å |
| 110 | G | 47.3 | Very low | 59.2 | Low | 80 Ų | 80 | 89.4 Ų | 89.4 | 83% | 0.825 | 55% | 0.545 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 76.5 | -5.7 | -177.8 | 0 | 0 | 0 | 0 | 0 | 116 | V108 | V108-G110 PolarHBondContact O-N 2.89Š|
| 111 | S | 47.9 | Very low | 59.4 | Low | 46 Ų | 46 | 89 Ų | 89 | 32% | 0.322 | 54% | 0.537 | S | S | . | . | trans | -74.6 | 143.4 | 179.2 | -166.4 | 0 | 0 | 0 | 0 | 112.3 | V108 F109 | V108-S111 WeakPolarHBondContact O-CB 3.3Å; V108-S111 PolarHBondContact O-N 3.35Å; V108-S111 VanDerWaalsContact O-N 3.13Å; F109-S111 PolarHBondContact O-N 2.91Å | ||
| 112 | S | 44.9 | Very low | 60.3 | Low | 92 Ų | 92 | 90.9 Ų | 90.9 | 64% | 0.643 | 52% | 0.523 | S | S | * | . | trans | -64.7 | 153.9 | 170.4 | 76.4 | 0 | 0 | 0 | 0 | 111 | K114 L115 | S112-K114 PolarHBondContact O-N 2.7Å; S112-L115 PolarHBondContact O-N 3.5Å | ||
| 113 | S | 43.9 | Very low | 62.1 | Low | 133 Ų | 133 | 85.4 Ų | 85.4 | 93% | 0.93 | 50% | 0.497 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.8 | 10.6 | -161.8 | 55.1 | 0 | 0 | 0 | 0 | 118.1 | ||
| 114 | K | 49.8 | Very low | 64.2 | Low | 193 Ų | 193 | 80 Ų | 80 | 84% | 0.839 | 47% | 0.473 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -99.2 | -10.2 | 178.9 | -72.7 | -166.9 | 172.1 | -169 | 0 | 115.6 | S112 | S112-K114 PolarHBondContact O-N 2.7Š|
| 115 | L | 57.3 | Low | 66.5 | Low | 79 Ų | 79 | 79.8 Ų | 79.8 | 41% | 0.414 | 47% | 0.465 | S | S | . | . | trans | -118.6 | 85.2 | -177.5 | -65.7 | 174.7 | 0 | 0 | 0 | 111.6 | M62 S112 | M62-L115 HydrophobicContact CE-CB 4.19Å; M62-L115 HydrophobicContact CE-CD2 4Å; S112-L115 PolarHBondContact O-N 3.5Å | ||
| 116 | A | 64.9 | Low | 68.7 | Low | 52 Ų | 52 | 75.2 Ų | 75.2 | 43% | 0.43 | 43% | 0.433 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94 | 141.5 | 169.3 | 0 | 0 | 0 | 0 | 0 | 110.5 | V118 | A116-V118 PolarHBondContact O-N 2.73Å |
| 117 | N | 75.3 | Confident | 71 | Confident | 21 Ų | 21 | 72.6 Ų | 72.6 | 11% | 0.112 | 42% | 0.415 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.4 | 123.3 | 173.3 | -77.2 | -10 | 0 | 0 | 0 | 109.6 | C64 Q65 S106 | C64-N117 PolarHBondContact SG-ND2 2.94Å; Q65-N117 PolarHBondContact N-OD1 3.07Å; Q65-N117 PolarHBondContact O-ND2 2.96Å; S106-N117 PolarHBondContact O-N 3.06Å |
| 118 | V | 84.6 | Confident | 73.1 | Confident | 89 Ų | 89 | 74.4 Ų | 74.4 | 54% | 0.539 | 41% | 0.409 | S | S | . | . | S | Bend | trans | -88.3 | -40.1 | 179.6 | -179.2 | 0 | 0 | 0 | 0 | 111.1 | P60 L63 A116 | P60-V118 HydrophobicContact CB-CG2 3.8Å; P60-V118 HydrophobicContact CG-CG1 4.16Å; P60-V118 HydrophobicContact CG-CG2 4.1Å; L63-V118 HydrophobicContact CD2-CB 4.49Å; L63-V118 PolarHBondContact O-N 3.44Å; A116-V118 PolarHBondContact O-N 2.73Å |
| 119 | E | 88.8 | Confident | 75.2 | Confident | 15 Ų | 15 | 76.4 Ų | 76.4 | 7% | 0.07 | 42% | 0.419 | C | S | . | . | S | Bend | trans | -97.8 | 137.1 | 164.3 | -64 | -164.1 | 163.3 | 0 | 0 | 109.5 | K27 L63 C64 R99 W121 | K27-E119 IonicContact NZ-OE1 3.84Å; K27-E119 PolarHBondContact NZ-OE1 2.76Å; K27-E119 IonicContact NZ-OE2 3.69Å; K27-E119 PolarHBondContact NZ-OE2 2.94Å; L63-E119 HydrophobicContact CB-CG 4.19Å; L63-E119 PolarHBondContact O-N 3.21Å; C64-E119 WeakPolarHBondContact CB-O 3.07Å; C64-E119 PolarHBondContact SG-O 3.49Å; R99-E119 VanDerWaalsContact CZ-CD 3.42Å; R99-E119 IonicContact CZ-OE1 3.76Å; R99-E119 IonicContact CZ-OE2 2.68Å; R99-E119 IonicContact NE-OE1 2.67Å; R99-E119 IonicContact NE-OE2 2.59Å; R99-E119 IonicContact NH1-OE1 2.7Å; R99-E119 PolarHBondContact NH1-OE1 3.4Å; R99-E119 IonicContact NH2-OE1 2.87Å; R99-E119 PolarHBondContact NH2-OE1 2.86Å; E119-W121 PolarHBondContact OE2-NE1 2.94Å |
| 120 | Q | 85.1 | Confident | 77.8 | Confident | 73 Ų | 73 | 67.3 Ų | 67.3 | 34% | 0.341 | 38% | 0.379 | S | S | . | . | trans | -93 | 132.4 | 165.5 | -71.2 | -164.1 | 14.7 | 0 | 0 | 110.4 | R99 A100 G104 | R99-Q120 WeakPolarHBondContact CA-O 3.34Å; A100-Q120 HydrophobicContact CB-CB 3.95Å; A100-Q120 PolarHBondContact N-O 2.89Å; G104-Q120 PolarHBondContact O-NE2 2.85Å | ||
| 121 | W | 90.4 | Very high | 80.1 | Confident | 26 Ų | 26 | 68.5 Ų | 68.5 | 10% | 0.098 | 37% | 0.371 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.4 | 136.5 | 174.8 | -74.1 | 80 | 0 | 0 | 0 | 109.1 | I42 M66 W78 W97 R99 E119 | I42-W121 HydrophobicContact CD1-CD2 3.68Å; I42-W121 HydrophobicContact CD1-CE3 4.36Å; I42-W121 HydrophobicContact CD1-CG 3.77Å; I42-W121 HydrophobicContact CD1-CZ2 4.22Å; M66-W121 HydrophobicContact CE-CB 4.48Å; M66-W121 HydrophobicContact CG-CB 4.45Å; M66-W121 HydrophobicContact SD-CB 3.35Å; M66-W121 WeakPolarHBondContact SD-CB 3.28Å; M66-W121 HydrophobicContact SD-CG 4.23Å; W78-W121 AromaticContact CH2-CH2 3.56Å; W78-W121 HydrophobicContact CH2-CH2 3.56Å; W78-W121 AromaticContact CH2-CZ2 3.84Å; W78-W121 HydrophobicContact CH2-CZ2 3.84Å; W78-W121 HydrophobicContact CH2-CZ3 4.03Å; W78-W121 AromaticContact CZ3-CH2 3.35Å; W78-W121 HydrophobicContact CZ3-CH2 3.35Å; W78-W121 HydrophobicContact CZ3-CZ2 4.11Å; W78-W121 AromaticContact CZ3-CZ3 3.66Å; W78-W121 HydrophobicContact CZ3-CZ3 3.66Å; W97-W121 HydrophobicContact CB-CE3 4.22Å; R99-W121 HydrophobicContact CB-CD2 4.09Å; R99-W121 HydrophobicContact CB-CE3 4.24Å; R99-W121 HydrophobicContact CB-CH2 3.82Å; R99-W121 HydrophobicContact CB-CZ2 3.7Å; R99-W121 HydrophobicContact CB-CZ3 4.11Å; R99-W121 HydrophobicContact CG-CZ2 4.06Å; R99-W121 VanDerWaalsContact N-CZ3 3.28Å; E119-W121 PolarHBondContact OE2-NE1 2.94Å |
| 122 | R | 90 | Very high | 82.5 | Confident | 135 Ų | 135 | 66.6 Ų | 66.6 | 51% | 0.509 | 36% | 0.359 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118 | 138.5 | 177.2 | 64.9 | 175.9 | -176.4 | 166.8 | 1.2 | 110.5 | W97 K98 V124 | W97-R122 CarbonylContact C-O 3.56Å; W97-R122 VanDerWaalsContact CA-O 3.27Å; W97-R122 WeakPolarHBondContact CA-O 3.26Å; K98-R122 PolarHBondContact N-O 2.9Å; K98-R122 PolarHBondContact O-N 2.99Å; R122-V124 HydrophobicContact CG-CG1 4.01Å; R122-V124 PolarHBondContact O-N 3.1Å |
| 123 | C | 93.4 | Very high | 85 | Confident | 41 Ų | 41 | 65 Ų | 65 | 28% | 0.277 | 34% | 0.343 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -62.9 | 118.9 | 162.8 | -171.7 | 0 | 0 | 0 | 0 | 107.7 | V96 W97 T125 I126 | V96-C123 CarbonylContact O-C 3.52Å; V96-C123 WeakPolarHBondContact O-CA 3.4Å; W97-C123 HydrophobicContact CD2-CB 4.38Å; W97-C123 HydrophobicContact CE3-CB 3.84Å; W97-C123 HydrophobicContact CZ3-CB 3.93Å; C123-T125 PolarHBondContact SG-O 2.99Å; C123-I126 WeakPolarHBondContact SG-CG1 3.41Å |
| 124 | V | 92.6 | Very high | 87.6 | Confident | 58 Ų | 58 | 58.6 Ų | 58.6 | 35% | 0.352 | 30% | 0.298 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.2 | -22.5 | 179.8 | -72.3 | 0 | 0 | 0 | 0 | 112.5 | Y84 V96 K98 R122 | Y84-V124 HydrophobicContact CD1-CG2 4.22Å; Y84-V124 HydrophobicContact CE1-CG2 4.08Å; V96-V124 HydrophobicContact CB-CG2 4.35Å; V96-V124 HydrophobicContact CG1-CG2 4.24Å; V96-V124 VanDerWaalsContact O-CG2 3.23Å; V96-V124 WeakPolarHBondContact O-CG2 3.39Å; V96-V124 PolarHBondContact O-N 2.88Å; K98-V124 HydrophobicContact CB-CG1 3.61Å; K98-V124 HydrophobicContact CB-CG2 4.31Å; R122-V124 HydrophobicContact CG-CG1 4.01Å; R122-V124 PolarHBondContact O-N 3.1Å |
| 125 | T | 94.9 | Very high | 89.9 | Confident | 25 Ų | 25 | 49.7 Ų | 49.7 | 15% | 0.153 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -159.6 | 152 | 174 | -176.9 | 0 | 0 | 0 | 0 | 110.4 | V96 C123 L127 F163 | V96-T125 HydrophobicContact CB-CG2 3.64Å; V96-T125 HydrophobicContact CG2-CG2 3.83Å; V96-T125 PolarHBondContact N-O 2.99Å; V96-T125 PolarHBondContact O-N 3.48Å; C123-T125 PolarHBondContact SG-O 2.99Å; T125-L127 HydrophobicContact CG2-CD2 3.85Å; T125-F163 HydrophobicContact CG2-CB 3.74Å; T125-F163 HydrophobicContact CG2-CD2 4.11Å; T125-F163 HydrophobicContact CG2-CG 3.95Å |
| 126 | I | 97.3 | Very high | 91.9 | Very high | 29 Ų | 29 | 46 Ų | 46 | 15% | 0.149 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.4 | 109.2 | 174.8 | -55.7 | 174.5 | 0 | 0 | 0 | 107.1 | L93 V94 M95 C123 R128 F481 | L93-I126 HydrophobicContact CB-CG2 3.98Å; L93-I126 HydrophobicContact CD1-CG2 3.92Å; L93-I126 HydrophobicContact CD2-CG2 3.89Å; L93-I126 HydrophobicContact CG-CG2 4.14Å; V94-I126 CarbonylContact O-C 3.56Å; V94-I126 WeakPolarHBondContact O-CA 3.43Å; M95-I126 HydrophobicContact CE-CD1 4.49Å; M95-I126 HydrophobicContact CG-CG1 4.25Å; M95-I126 HydrophobicContact CG-CG2 4.41Å; C123-I126 WeakPolarHBondContact SG-CG1 3.41Å; I126-R128 HydrophobicContact CG2-CG 4.3Å; I126-F481 HydrophobicContact CD1-CE2 4.44Å; I126-F481 HydrophobicContact CD1-CZ 4.1Å |
| 127 | L | 97.6 | Very high | 93.5 | Very high | 1 Ų | 1 | 43.6 Ų | 43.6 | 1% | 0.005 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.1 | 126.3 | -176.8 | -39.5 | 176.6 | 0 | 0 | 0 | 108.5 | V94 V96 T125 L146 W158 F163 P164 | V94-L127 HydrophobicContact CB-CB 4.14Å; V94-L127 HydrophobicContact CB-CD1 4.21Å; V94-L127 HydrophobicContact CB-CG 4.34Å; V94-L127 HydrophobicContact CG1-CD1 3.93Å; V94-L127 HydrophobicContact CG1-CG 4.42Å; V94-L127 PolarHBondContact N-O 2.77Å; V94-L127 PolarHBondContact O-N 3.22Å; V96-L127 HydrophobicContact CG2-CD1 4.07Å; V96-L127 HydrophobicContact CG2-CG 4.39Å; T125-L127 HydrophobicContact CG2-CD2 3.85Å; L127-L146 HydrophobicContact CD1-CD2 4Å; L127-W158 HydrophobicContact CB-CD2 3.94Å; L127-W158 HydrophobicContact CB-CE3 3.98Å; L127-W158 HydrophobicContact CB-CH2 3.67Å; L127-W158 HydrophobicContact CB-CZ2 3.61Å; L127-W158 HydrophobicContact CB-CZ3 3.86Å; L127-W158 HydrophobicContact CD1-CB 4.16Å; L127-W158 HydrophobicContact CD1-CD2 3.74Å; L127-W158 HydrophobicContact CD1-CE3 4.29Å; L127-W158 HydrophobicContact CD1-CG 3.68Å; L127-W158 HydrophobicContact CD2-CE3 4.39Å; L127-W158 HydrophobicContact CG-CD2 4.32Å; L127-W158 HydrophobicContact CG-CE3 4.45Å; L127-F163 HydrophobicContact CD1-CD1 3.89Å; L127-F163 HydrophobicContact CD1-CE1 3.71Å; L127-F163 HydrophobicContact CD2-CB 4.13Å; L127-F163 HydrophobicContact CD2-CD1 3.6Å; L127-F163 HydrophobicContact CD2-CE1 4.28Å; L127-F163 HydrophobicContact CD2-CG 4.16Å; L127-F163 HydrophobicContact CG-CD1 4.41Å; L127-P164 HydrophobicContact CD2-CB 3.81Å |
| 128 | R | 95.7 | Very high | 94.6 | Very high | 152 Ų | 152 | 43.2 Ų | 43.2 | 57% | 0.574 | 22% | 0.22 | S | C | * | . | trans | -128.5 | 114 | -173.6 | -68.1 | -174.9 | 177.7 | 87.8 | -3.4 | 109.9 | L93 I126 | L93-R128 HydrophobicContact CD2-CG 3.74Å; I126-R128 HydrophobicContact CG2-CG 4.3Å | ||
| 129 | N | 94.9 | Very high | 95.2 | Very high | 59 Ų | 59 | 40 Ų | 40 | 32% | 0.316 | 20% | 0.198 | S | C | . | . | trans | -159.6 | -34.4 | 171.5 | -177.9 | 88.6 | 0 | 0 | 0 | 110.8 | V156 W158 | N129-V156 HydrophobicContact CB-CG2 4.23Å; N129-V156 VanDerWaalsContact ND2-CG2 3.25Å; N129-V156 WeakPolarHBondContact ND2-CG2 3.4Å; N129-W158 HydrophobicContact CB-CH2 3.6Å; N129-W158 HydrophobicContact CB-CZ2 3.99Å | ||
| 130 | H | 96.9 | Very high | 95.5 | Very high | 15 Ų | 15 | 39.3 Ų | 39.3 | 7% | 0.069 | 20% | 0.195 | C | C | . | . | trans | -64 | 138.2 | 178.5 | -74.7 | -58.1 | 0 | 0 | 0 | 112.4 | V134 S148 S150 D152 T154 | H130-V134 HydrophobicContact CB-CG2 4.16Å; H130-S148 PolarHBondContact CD2-OG 2.81Å; H130-S148 PolarHBondContact NE2-O 3.21Å; H130-S148 PolarHBondContact NE2-OG 2.82Å; H130-S150 WeakPolarHBondContact ND1-CB 3.45Å; H130-D152 WeakPolarHBondContact CA-OD2 3.31Å; H130-D152 WeakPolarHBondContact CB-OD2 3.32Å; H130-D152 IonicContact CG-OD2 2.68Å; H130-D152 IonicContact ND1-OD1 3.07Å; H130-D152 PolarHBondContact ND1-OD1 2.74Å; H130-D152 IonicContact ND1-OD2 2.84Å; H130-D152 PolarHBondContact ND1-OD2 2.63Å; H130-T154 PolarHBondContact CE1-OG1 3.43Å; H130-T154 PolarHBondContact ND1-OG1 2.95Å | ||
| 131 | T | 96.4 | Very high | 95.6 | Very high | 104 Ų | 104 | 36.9 Ų | 36.9 | 64% | 0.638 | 19% | 0.186 | S | C | * | . | S | Bend | trans | -100.5 | -3.1 | 179.6 | 62.7 | 0 | 0 | 0 | 0 | 112.9 | K92 D152 | K92-T131 WeakPolarHBondContact CD-O 3.24Å; K92-T131 WeakPolarHBondContact CE-O 3.41Å; K92-T131 PolarHBondContact NZ-O 3.38Å; T131-D152 PolarHBondContact N-OD2 3.18Å; T131-D152 VanDerWaalsContact OG1-CB 3.29Å; T131-D152 WeakPolarHBondContact OG1-CB 3.16Å |
| 132 | G | 97.1 | Very high | 95.1 | Very high | 7 Ų | 7 | 38.7 Ų | 38.7 | 7% | 0.072 | 20% | 0.195 | C | C | . | . | S | Bend | trans | -138.9 | 173 | 172.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | V134 S150 | G132-V134 PolarHBondContact O-N 3.44Å; G132-S150 PolarHBondContact O-OG 3.23Å |
| 133 | D | 97.9 | Very high | 95.1 | Very high | 57 Ų | 57 | 32.7 Ų | 32.7 | 31% | 0.305 | 17% | 0.173 | S | C | . | . | trans | -39.3 | 126.9 | 177.6 | -36.8 | -17.8 | 0 | 0 | 0 | 112.3 | M135 S150 V151 | D133-M135 HydrophobicContact CB-SD 4.14Å; D133-S150 VanDerWaalsContact O-CA 3.24Å; D133-S150 WeakPolarHBondContact O-CA 3.37Å; D133-S150 WeakPolarHBondContact O-CB 3.32Å; D133-S150 PolarHBondContact O-OG 3.46Å; D133-V151 HydrophobicContact CB-CG1 4.15Å; D133-V151 HydrophobicContact CB-CG2 3.79Å; D133-V151 VanDerWaalsContact N-CG2 3.34Å; D133-V151 PolarHBondContact O-N 3.32Å; D133-V151 VanDerWaalsContact O-N 3.15Å | ||
| 134 | V | 98.6 | Very high | 95 | Very high | 0 Ų | 0 | 31 Ų | 31 | 0% | 0 | 16% | 0.162 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.7 | 119.3 | 177.4 | -177.1 | 0 | 0 | 0 | 0 | 108.5 | N74 G89 V94 H130 G132 V137 C149 | N74-V134 WeakPolarHBondContact CB-O 3.37Å; N74-V134 PolarHBondContact ND2-O 3.15Å; G89-V134 PolarHBondContact O-N 2.88Å; V94-V134 HydrophobicContact CG2-CG1 3.92Å; V94-V134 HydrophobicContact CG2-CG2 4.27Å; H130-V134 HydrophobicContact CB-CG2 4.16Å; G132-V134 PolarHBondContact O-N 3.44Å; V134-V137 HydrophobicContact CG1-CG1 4.16Å; V134-C149 WeakPolarHBondContact CG1-O 3.1Å |
| 135 | M | 98.1 | Very high | 95.2 | Very high | 6 Ų | 6 | 28.5 Ų | 28.5 | 3% | 0.03 | 15% | 0.146 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.2 | -30 | -171.4 | -60.6 | -51.1 | -57.6 | 0 | 0 | 113.3 | D133 C149 V151 V177 K178 H224 R227 | D133-M135 HydrophobicContact CB-SD 4.14Å; M135-C149 PolarHBondContact N-O 3.05Å; M135-V151 HydrophobicContact CG-CG1 3.65Å; M135-V151 HydrophobicContact SD-CG1 3.72Å; M135-V177 WeakPolarHBondContact CB-O 3.32Å; M135-K178 HydrophobicContact CB-CG 4.43Å; M135-K178 HydrophobicContact CG-CG 4.28Å; M135-H224 WeakPolarHBondContact CE-O 3.35Å; M135-R227 VanDerWaalsContact O-CZ 3.22Å; M135-R227 PolarHBondContact O-NH1 2.97Å; M135-R227 PolarHBondContact O-NH2 2.91Å |
| 136 | D | 98.4 | Very high | 95.3 | Very high | 2 Ų | 2 | 27.3 Ų | 27.3 | 1% | 0.011 | 14% | 0.139 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -146 | 155 | 176.6 | -145 | -16.1 | 0 | 0 | 0 | 112.1 | C75 S148 C149 G179 L180 R227 | C75-D136 PolarHBondContact SG-OD1 3.27Å; D136-S148 WeakPolarHBondContact O-CA 3.48Å; D136-C149 VanDerWaalsContact CB-SG 3.53Å; D136-C149 PolarHBondContact N-O 2.86Å; D136-C149 PolarHBondContact O-N 2.7Å; D136-G179 VanDerWaalsContact OD2-CA 3.31Å; D136-G179 WeakPolarHBondContact OD2-CA 3.48Å; D136-L180 HydrophobicContact CB-CB 4.4Å; D136-L180 HydrophobicContact CB-CG 4.43Å; D136-L180 PolarHBondContact OD2-N 2.92Å; D136-R227 VanDerWaalsContact CB-NH1 3.28Å; D136-R227 IonicContact OD1-CZ 3.9Å; D136-R227 IonicContact OD1-NE 3.63Å; D136-R227 IonicContact OD1-NH1 2.64Å; D136-R227 PolarHBondContact OD1-NH1 2.87Å; D136-R227 WeakPolarHBondContact OD2-CD 3.4Å; D136-R227 IonicContact OD2-CZ 2.66Å; D136-R227 IonicContact OD2-NE 3.87Å; D136-R227 IonicContact OD2-NH1 3.48Å; D136-R227 PolarHBondContact OD2-NH1 3.1Å |
| 137 | V | 98.6 | Very high | 95.4 | Very high | 0 Ų | 0 | 26 Ų | 26 | 0% | 0 | 13% | 0.132 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.5 | 142.4 | 168.8 | -62.4 | 0 | 0 | 0 | 0 | 109.2 | C75 R77 A86 V94 V134 L146 A147 | C75-V137 HydrophobicContact CB-CG2 4.12Å; R77-V137 HydrophobicContact CB-CG2 4.25Å; R77-V137 HydrophobicContact CG-CG2 4.1Å; R77-V137 WeakPolarHBondContact CG-O 3.34Å; A86-V137 HydrophobicContact CB-CG2 4.11Å; V94-V137 HydrophobicContact CG1-CG1 4.16Å; V94-V137 HydrophobicContact CG2-CG1 3.91Å; V134-V137 HydrophobicContact CG1-CG1 4.16Å; V137-L146 HydrophobicContact CB-CD1 4.3Å; V137-A147 CarbonylContact C-O 3.59Å; V137-A147 VanDerWaalsContact CA-O 3.24Å; V137-A147 WeakPolarHBondContact CA-O 3.35Å |
| 138 | A | 98.3 | Very high | 95.4 | Very high | 14 Ų | 14 | 25.9 Ų | 25.9 | 12% | 0.116 | 13% | 0.131 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -149 | 127.5 | -179.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | A147 L180 W182 | A138-A147 PolarHBondContact N-O 3.3Å; A138-A147 PolarHBondContact O-N 2.69Å; A138-L180 HydrophobicContact CB-CB 4.07Å; A138-W182 PolarHBondContact O-NE1 2.94Å |
| 139 | W | 97.4 | Very high | 95.6 | Very high | 20 Ų | 20 | 18.7 Ų | 18.7 | 8% | 0.076 | 10% | 0.104 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -78.8 | 140.7 | 173.9 | -62.8 | 93 | 0 | 0 | 0 | 111.2 | R77 W78 Y84 A86 V96 D143 L146 A160 F163 W182 | R77-W139 PolarHBondContact O-NE1 2.73Å; W78-W139 VanDerWaalsContact C-CD1 3.43Å; W78-W139 PolarHBondContact O-NE1 3.17Å; Y84-W139 HydrophobicContact CD2-CH2 4.27Å; Y84-W139 HydrophobicContact CG-CH2 4.24Å; A86-W139 HydrophobicContact CB-CZ2 3.82Å; V96-W139 HydrophobicContact CG1-CH2 4.12Å; V96-W139 HydrophobicContact CG1-CZ2 4.31Å; W139-D143 HydrophobicContact CE3-CB 4.4Å; W139-L146 HydrophobicContact CD2-CB 4.48Å; W139-L146 HydrophobicContact CD2-CD1 3.87Å; W139-L146 HydrophobicContact CE3-CB 4.07Å; W139-L146 HydrophobicContact CE3-CD1 4.31Å; W139-L146 HydrophobicContact CG-CD1 4.08Å; W139-L146 HydrophobicContact CH2-CD2 4.28Å; W139-L146 HydrophobicContact CZ2-CD1 4.47Å; W139-L146 HydrophobicContact CZ2-CD2 4.27Å; W139-L146 HydrophobicContact CZ3-CB 4.17Å; W139-A160 HydrophobicContact CE3-CB 4.44Å; W139-A160 HydrophobicContact CZ3-CB 3.87Å; W139-F163 HydrophobicContact CH2-CE2 4.02Å; W139-F163 AromaticContact CH2-CZ 3.8Å; W139-F163 HydrophobicContact CH2-CZ 3.8Å; W139-F163 HydrophobicContact CZ3-CE2 4.21Å; W139-F163 AromaticContact CZ3-CZ 3.84Å; W139-F163 HydrophobicContact CZ3-CZ 3.84Å; W139-W182 VanDerWaalsContact C-CD1 3.46Å; W139-W182 PolarHBondContact O-NE1 2.82Å |
| 140 | S | 95 | Very high | 95.7 | Very high | 1 Ų | 1 | 15.9 Ų | 15.9 | 1% | 0.007 | 9% | 0.089 | C | C | . | . | P | Polyproline II helix | trans | -66.3 | 162.6 | 171.8 | 78.9 | 0 | 0 | 0 | 0 | 110.9 | N80 H142 D143 V144 W145 | N80-S140 PolarHBondContact ND2-O 2.74Å; S140-H142 PolarHBondContact O-N 2.88Å; S140-D143 PolarHBondContact O-N 2.88Å; S140-V144 PolarHBondContact OG-N 3.37Å; S140-V144 VanDerWaalsContact OG-N 3.09Å; S140-W145 PolarHBondContact N-O 2.9Å; S140-W145 PolarHBondContact OG-N 3.02Å; S140-W145 PolarHBondContact OG-O 3.37Å |
| 141 | P | 87.1 | Confident | 95.7 | Very high | 23 Ų | 23 | 16.7 Ų | 16.7 | 15% | 0.149 | 10% | 0.095 | C | C | . | . | G | 310 helix | trans | -47.1 | 139.1 | 158.7 | -25.7 | 34.9 | 0 | 0 | 0 | 110.6 | D143 D183 | P141-D143 PolarHBondContact O-N 3.29Å; P141-D143 VanDerWaalsContact O-N 3.1Å; P141-D183 VanDerWaalsContact CG-O 3.29Å; P141-D183 WeakPolarHBondContact CG-O 3.46Å |
| 142 | H | 80.3 | Confident | 95.8 | Very high | 63 Ų | 63 | 13.1 Ų | 13.1 | 29% | 0.292 | 7% | 0.072 | S | C | . | . | G | 310 helix | trans | 59.8 | 12.3 | -179.9 | -52 | -71.9 | 0 | 0 | 0 | 116.9 | S140 V144 T395 Y405 | S140-H142 PolarHBondContact O-N 2.88Å; H142-V144 HydrophobicContact CB-CG2 4.49Å; H142-V144 PolarHBondContact O-N 2.93Å; H142-T395 PolarHBondContact CE1-OG1 3.32Å; H142-T395 PolarHBondContact NE2-OG1 3.49Å; H142-T395 VanDerWaalsContact NE2-OG1 3.09Å; H142-Y405 WeakPolarHBondContact O-CE1 3.12Å |
| 143 | D | 90.8 | Very high | 95.8 | Very high | 10 Ų | 10 | 15.3 Ų | 15.3 | 5% | 0.053 | 8% | 0.082 | C | C | . | . | G | 310 helix | trans | 58.3 | 39.1 | 175.7 | -50 | -46.6 | 0 | 0 | 0 | 114.3 | N80 N81 W139 S140 P141 A160 | N80-D143 WeakPolarHBondContact CB-OD1 3.21Å; N80-D143 PolarHBondContact N-OD1 2.77Å; N80-D143 PolarHBondContact N-OD2 2.82Å; N80-D143 PolarHBondContact ND2-OD1 3.18Å; N81-D143 WeakPolarHBondContact CB-OD2 3.45Å; N81-D143 PolarHBondContact N-OD2 2.82Å; N81-D143 PolarHBondContact ND2-OD2 3.5Å; W139-D143 HydrophobicContact CE3-CB 4.4Å; S140-D143 PolarHBondContact O-N 2.88Å; P141-D143 PolarHBondContact O-N 3.29Å; P141-D143 VanDerWaalsContact O-N 3.1Å; D143-A160 WeakPolarHBondContact O-CB 3.39Å |
| 144 | V | 91.1 | Very high | 95.8 | Very high | 5 Ų | 5 | 12.8 Ų | 12.8 | 3% | 0.03 | 7% | 0.069 | C | C | . | . | S | Bend | trans | -78.7 | -40.7 | 174.3 | -175.1 | 0 | 0 | 0 | 0 | 111.3 | S140 H142 A160 M402 Y405 | S140-V144 PolarHBondContact OG-N 3.37Å; S140-V144 VanDerWaalsContact OG-N 3.09Å; H142-V144 HydrophobicContact CB-CG2 4.49Å; H142-V144 PolarHBondContact O-N 2.93Å; V144-A160 WeakPolarHBondContact O-CB 3.46Å; V144-A160 PolarHBondContact O-N 3.06Å; V144-M402 HydrophobicContact CB-CG 4.09Å; V144-M402 HydrophobicContact CB-SD 4.47Å; V144-M402 HydrophobicContact CG1-CG 4.18Å; V144-M402 HydrophobicContact CG2-CB 4.34Å; V144-M402 HydrophobicContact CG2-CG 3.88Å; V144-M402 HydrophobicContact CG2-SD 4.37Å; V144-Y405 HydrophobicContact CG2-CD1 3.39Å; V144-Y405 HydrophobicContact CG2-CE1 3.89Å; V144-Y405 HydrophobicContact CG2-CG 4.22Å |
| 145 | W | 95.9 | Very high | 95.8 | Very high | 6 Ų | 6 | 12.9 Ų | 12.9 | 2% | 0.023 | 7% | 0.069 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.7 | 152.6 | -179.2 | -57.7 | -55.6 | 0 | 0 | 0 | 111.4 | S140 I157 W158 W182 T203 W206 E401 M402 | S140-W145 PolarHBondContact N-O 2.9Å; S140-W145 PolarHBondContact OG-N 3.02Å; S140-W145 PolarHBondContact OG-O 3.37Å; W145-I157 HydrophobicContact CB-CG2 3.91Å; W145-I157 HydrophobicContact CG-CG2 3.94Å; W145-W158 VanDerWaalsContact CA-O 3.27Å; W145-W158 WeakPolarHBondContact CA-O 3.48Å; W145-W182 HydrophobicContact CB-CH2 3.74Å; W145-W182 HydrophobicContact CB-CZ2 3.89Å; W145-W182 HydrophobicContact CD2-CH2 4.22Å; W145-W182 AromaticContact CE3-CH2 3.68Å; W145-W182 HydrophobicContact CE3-CH2 3.68Å; W145-W182 AromaticContact CE3-CZ3 3.7Å; W145-W182 HydrophobicContact CE3-CZ3 3.7Å; W145-W182 HydrophobicContact CG-CH2 4.3Å; W145-W182 HydrophobicContact CZ3-CZ3 4.27Å; W145-T203 HydrophobicContact CZ3-CG2 4.45Å; W145-W206 HydrophobicContact CD2-CH2 4.13Å; W145-W206 HydrophobicContact CD2-CZ2 4.15Å; W145-W206 AromaticContact CE2-CZ2 3.99Å; W145-W206 AromaticContact CE3-CH2 3.87Å; W145-W206 HydrophobicContact CE3-CH2 3.87Å; W145-W206 HydrophobicContact CE3-CZ2 4.19Å; W145-W206 HydrophobicContact CH2-CH2 4.27Å; W145-W206 AromaticContact CH2-CZ2 3.94Å; W145-W206 HydrophobicContact CH2-CZ2 3.94Å; W145-W206 AromaticContact CZ2-CZ2 3.9Å; W145-W206 HydrophobicContact CZ2-CZ2 3.9Å; W145-W206 AromaticContact CZ3-CH2 3.93Å; W145-W206 HydrophobicContact CZ3-CH2 3.93Å; W145-W206 HydrophobicContact CZ3-CZ2 4.08Å; W145-E401 HydrophobicContact CZ2-CB 4.34Å; W145-M402 HydrophobicContact CE3-CG 4.24Å; W145-M402 HydrophobicContact CE3-SD 3.94Å; W145-M402 HydrophobicContact CH2-CG 3.78Å; W145-M402 HydrophobicContact CH2-SD 4.34Å; W145-M402 HydrophobicContact CZ2-CG 4.49Å; W145-M402 HydrophobicContact CZ3-CE 3.8Å; W145-M402 HydrophobicContact CZ3-CG 3.63Å; W145-M402 HydrophobicContact CZ3-SD 3.58Å; W145-M402 VanDerWaalsContact CZ3-SD 3.58Å |
| 146 | L | 98.3 | Very high | 95.9 | Very high | 0 Ų | 0 | 12.6 Ų | 12.6 | 0% | 0 | 7% | 0.068 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115 | 128.4 | 164.2 | 174.1 | 60.6 | 0 | 0 | 0 | 107.1 | A86 V94 V96 L127 V137 W139 W158 F163 | A86-L146 HydrophobicContact CB-CD1 4.08Å; A86-L146 HydrophobicContact CB-CD2 3.87Å; V94-L146 HydrophobicContact CG1-CD2 4.14Å; V96-L146 HydrophobicContact CG2-CD2 4.03Å; L127-L146 HydrophobicContact CD1-CD2 4Å; V137-L146 HydrophobicContact CB-CD1 4.3Å; W139-L146 HydrophobicContact CD2-CB 4.48Å; W139-L146 HydrophobicContact CD2-CD1 3.87Å; W139-L146 HydrophobicContact CE3-CB 4.07Å; W139-L146 HydrophobicContact CE3-CD1 4.31Å; W139-L146 HydrophobicContact CG-CD1 4.08Å; W139-L146 HydrophobicContact CH2-CD2 4.28Å; W139-L146 HydrophobicContact CZ2-CD1 4.47Å; W139-L146 HydrophobicContact CZ2-CD2 4.27Å; W139-L146 HydrophobicContact CZ3-CB 4.17Å; L146-W158 HydrophobicContact CB-CB 4.37Å; L146-W158 PolarHBondContact N-O 2.79Å; L146-W158 WeakPolarHBondContact O-CB 3.33Å; L146-W158 VanDerWaalsContact O-CD1 3.27Å; L146-W158 PolarHBondContact O-N 3.11Å; L146-F163 HydrophobicContact CB-CE1 4.14Å; L146-F163 HydrophobicContact CB-CZ 4.12Å; L146-F163 HydrophobicContact CD2-CE1 4.08Å; L146-F163 HydrophobicContact CD2-CZ 3.97Å |
| 147 | A | 98.6 | Very high | 95.9 | Very high | 0 Ų | 0 | 12.5 Ų | 12.5 | 0% | 0 | 7% | 0.067 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.4 | 145.5 | 171.1 | 0 | 0 | 0 | 0 | 0 | 110.4 | V137 A138 V156 I157 L180 W182 I189 | V137-A147 CarbonylContact C-O 3.59Å; V137-A147 VanDerWaalsContact CA-O 3.24Å; V137-A147 WeakPolarHBondContact CA-O 3.35Å; A138-A147 PolarHBondContact N-O 3.3Å; A138-A147 PolarHBondContact O-N 2.69Å; A147-V156 CarbonylContact C-O 3.54Å; A147-V156 VanDerWaalsContact CA-O 3.3Å; A147-V156 WeakPolarHBondContact CA-O 3.41Å; A147-I157 HydrophobicContact CB-CD1 3.67Å; A147-L180 HydrophobicContact CB-CD1 3.78Å; A147-W182 HydrophobicContact CB-CZ2 3.71Å; A147-I189 HydrophobicContact CB-CD1 3.39Å |
| 148 | S | 98.7 | Very high | 95.8 | Very high | 0 Ų | 0 | 12.8 Ų | 12.8 | 0% | 0 | 7% | 0.068 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.9 | 148.3 | 169.6 | 61.6 | 0 | 0 | 0 | 0 | 111.1 | H130 D136 I155 V156 W158 L180 | H130-S148 PolarHBondContact CD2-OG 2.81Å; H130-S148 PolarHBondContact NE2-O 3.21Å; H130-S148 PolarHBondContact NE2-OG 2.82Å; D136-S148 WeakPolarHBondContact O-CA 3.48Å; S148-I155 CarbonylContact O-C 3.59Å; S148-I155 VanDerWaalsContact O-CA 3.27Å; S148-I155 WeakPolarHBondContact O-CA 3.47Å; S148-I155 WeakPolarHBondContact O-CG2 3.4Å; S148-V156 PolarHBondContact N-O 2.93Å; S148-V156 PolarHBondContact O-N 3.4Å; S148-W158 PolarHBondContact OG-NE1 3Å; S148-L180 VanDerWaalsContact C-CD1 3.45Å |
| 149 | C | 98.4 | Very high | 95.6 | Very high | 0 Ų | 0 | 13.1 Ų | 13.1 | 0% | 0 | 7% | 0.068 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133 | 156 | 175.3 | 78.2 | 0 | 0 | 0 | 0 | 112.2 | V134 M135 D136 T154 I155 V177 L180 | V134-C149 WeakPolarHBondContact CG1-O 3.1Å; M135-C149 PolarHBondContact N-O 3.05Å; D136-C149 VanDerWaalsContact CB-SG 3.53Å; D136-C149 PolarHBondContact N-O 2.86Å; D136-C149 PolarHBondContact O-N 2.7Å; C149-T154 WeakPolarHBondContact CA-O 3.4Å; C149-I155 HydrophobicContact CB-CG1 4.08Å; C149-V177 HydrophobicContact CB-CB 3.86Å; C149-V177 HydrophobicContact CB-CG1 3.61Å; C149-V177 PolarHBondContact SG-O 3.03Å; C149-L180 HydrophobicContact CB-CD1 3.76Å; C149-L180 HydrophobicContact CB-CD2 4.11Å; C149-L180 HydrophobicContact CB-CG 3.79Å |
| 150 | S | 98.3 | Very high | 95.4 | Very high | 0 Ų | 0 | 12.7 Ų | 12.7 | 0% | 0 | 7% | 0.069 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.5 | 163.3 | -169.2 | 170.4 | 0 | 0 | 0 | 0 | 113.4 | H130 G132 D133 D152 N153 T154 V177 | H130-S150 WeakPolarHBondContact ND1-CB 3.45Å; G132-S150 PolarHBondContact O-OG 3.23Å; D133-S150 VanDerWaalsContact O-CA 3.24Å; D133-S150 WeakPolarHBondContact O-CA 3.37Å; D133-S150 WeakPolarHBondContact O-CB 3.32Å; D133-S150 PolarHBondContact O-OG 3.46Å; S150-D152 WeakPolarHBondContact CB-OD1 3.49Å; S150-D152 PolarHBondContact O-N 3.14Å; S150-D152 VanDerWaalsContact OG-CG 3.27Å; S150-D152 PolarHBondContact OG-N 2.93Å; S150-D152 PolarHBondContact OG-OD2 3.37Å; S150-N153 PolarHBondContact O-N 2.98Å; S150-T154 PolarHBondContact N-O 2.86Å; S150-V177 PolarHBondContact O-N 3.4Å |
| 151 | V | 97.3 | Very high | 95 | Very high | 33 Ų | 33 | 18 Ų | 18 | 20% | 0.2 | 9% | 0.089 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -63.2 | -7.1 | 164.9 | -54.1 | 0 | 0 | 0 | 0 | 113.4 | D133 M135 N153 L176 | D133-V151 HydrophobicContact CB-CG1 4.15Å; D133-V151 HydrophobicContact CB-CG2 3.79Å; D133-V151 VanDerWaalsContact N-CG2 3.34Å; D133-V151 PolarHBondContact O-N 3.32Å; D133-V151 VanDerWaalsContact O-N 3.15Å; M135-V151 HydrophobicContact CG-CG1 3.65Å; M135-V151 HydrophobicContact SD-CG1 3.72Å; V151-N153 PolarHBondContact O-N 3.08Å; V151-N153 PolarHBondContact O-OD1 3.2Å; V151-L176 HydrophobicContact CB-CB 4.29Å; V151-L176 HydrophobicContact CB-CD1 4.38Å; V151-L176 HydrophobicContact CB-CD2 4.06Å; V151-L176 HydrophobicContact CB-CG 4.46Å; V151-L176 HydrophobicContact CG1-CB 4.28Å; V151-L176 HydrophobicContact CG1-CD1 4.25Å; V151-L176 VanDerWaalsContact O-CD2 3.3Å; V151-L176 WeakPolarHBondContact O-CD2 3.43Å |
| 152 | D | 97.5 | Very high | 95.1 | Very high | 29 Ų | 29 | 23 Ų | 23 | 16% | 0.155 | 11% | 0.108 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -76.1 | 8 | 169.9 | 70.4 | 18.7 | 0 | 0 | 0 | 115 | H130 T131 S150 T154 | H130-D152 WeakPolarHBondContact CA-OD2 3.31Å; H130-D152 WeakPolarHBondContact CB-OD2 3.32Å; H130-D152 IonicContact CG-OD2 2.68Å; H130-D152 IonicContact ND1-OD1 3.07Å; H130-D152 PolarHBondContact ND1-OD1 2.74Å; H130-D152 IonicContact ND1-OD2 2.84Å; H130-D152 PolarHBondContact ND1-OD2 2.63Å; T131-D152 PolarHBondContact N-OD2 3.18Å; T131-D152 VanDerWaalsContact OG1-CB 3.29Å; T131-D152 WeakPolarHBondContact OG1-CB 3.16Å; S150-D152 WeakPolarHBondContact CB-OD1 3.49Å; S150-D152 PolarHBondContact O-N 3.14Å; S150-D152 VanDerWaalsContact OG-CG 3.27Å; S150-D152 PolarHBondContact OG-N 2.93Å; S150-D152 PolarHBondContact OG-OD2 3.37Å; D152-T154 PolarHBondContact O-N 3.26Å; D152-T154 WeakPolarHBondContact OD1-CA 3.41Å; D152-T154 VanDerWaalsContact OD1-CB 3.26Å; D152-T154 WeakPolarHBondContact OD1-CB 3.43Å; D152-T154 WeakPolarHBondContact OD1-CG2 3.43Å; D152-T154 PolarHBondContact OD1-N 3.25Å; D152-T154 PolarHBondContact OD1-OG1 3.41Å; D152-T154 PolarHBondContact OD2-OG1 3.16Å |
| 153 | N | 97.8 | Very high | 95.5 | Very high | 52 Ų | 52 | 22 Ų | 22 | 28% | 0.278 | 10% | 0.103 | S | C | . | . | S | Bend | trans | 67.2 | 12.1 | -177.2 | -52.6 | -15.6 | 0 | 0 | 0 | 114.9 | S150 V151 G175 L176 | S150-N153 PolarHBondContact O-N 2.98Å; V151-N153 PolarHBondContact O-N 3.08Å; V151-N153 PolarHBondContact O-OD1 3.2Å; N153-G175 VanDerWaalsContact OD1-CA 3.27Å; N153-G175 WeakPolarHBondContact OD1-CA 3.47Å; N153-G175 PolarHBondContact OD1-O 3.05Å; N153-G175 VanDerWaalsContact OD1-O 3.12Å; N153-L176 PolarHBondContact OD1-N 3.06Å |
| 154 | T | 98.2 | Very high | 95.7 | Very high | 5 Ų | 5 | 25.3 Ų | 25.3 | 3% | 0.031 | 13% | 0.125 | C | C | . | . | trans | -112.9 | 163.4 | -178.9 | 77.7 | 0 | 0 | 0 | 0 | 114 | H130 C149 S150 D152 R171 | H130-T154 PolarHBondContact CE1-OG1 3.43Å; H130-T154 PolarHBondContact ND1-OG1 2.95Å; C149-T154 WeakPolarHBondContact CA-O 3.4Å; S150-T154 PolarHBondContact N-O 2.86Å; D152-T154 PolarHBondContact O-N 3.26Å; D152-T154 WeakPolarHBondContact OD1-CA 3.41Å; D152-T154 VanDerWaalsContact OD1-CB 3.26Å; D152-T154 WeakPolarHBondContact OD1-CB 3.43Å; D152-T154 WeakPolarHBondContact OD1-CG2 3.43Å; D152-T154 PolarHBondContact OD1-N 3.25Å; D152-T154 PolarHBondContact OD1-OG1 3.41Å; D152-T154 PolarHBondContact OD2-OG1 3.16Å; T154-R171 HydrophobicContact CG2-CG 4.21Å | ||
| 155 | I | 98.8 | Very high | 95.8 | Very high | 1 Ų | 1 | 28.9 Ų | 28.9 | 1% | 0.005 | 14% | 0.142 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124 | 135.1 | 168.3 | -53.7 | 159.1 | 0 | 0 | 0 | 106.7 | S148 C149 I157 C169 L170 V177 L180 S191 W201 | S148-I155 CarbonylContact O-C 3.59Å; S148-I155 VanDerWaalsContact O-CA 3.27Å; S148-I155 WeakPolarHBondContact O-CA 3.47Å; S148-I155 WeakPolarHBondContact O-CG2 3.4Å; C149-I155 HydrophobicContact CB-CG1 4.08Å; I155-I157 HydrophobicContact CG2-CD1 4.22Å; I155-C169 CarbonylContact O-C 3.26Å; I155-C169 WeakPolarHBondContact O-CA 3.37Å; I155-L170 HydrophobicContact CB-CB 4.08Å; I155-L170 HydrophobicContact CB-CD1 4.16Å; I155-L170 HydrophobicContact CB-CG 4.24Å; I155-L170 HydrophobicContact CD1-CB 4.44Å; I155-L170 HydrophobicContact CD1-CD1 4.21Å; I155-L170 HydrophobicContact CG2-CD1 4.07Å; I155-L170 HydrophobicContact CG2-CG 4.47Å; I155-L170 PolarHBondContact N-O 3.41Å; I155-L170 VanDerWaalsContact N-O 3.13Å; I155-L170 PolarHBondContact O-N 3.36Å; I155-V177 HydrophobicContact CD1-CG1 4.43Å; I155-V177 HydrophobicContact CG1-CG1 4.09Å; I155-L180 HydrophobicContact CD1-CD2 4.14Å; I155-L180 HydrophobicContact CG1-CD2 4.13Å; I155-L180 HydrophobicContact CG2-CD1 4.22Å; I155-L180 HydrophobicContact CG2-CD2 3.77Å; I155-S191 VanDerWaalsContact CD1-CB 3.41Å; I155-S191 WeakPolarHBondContact CD1-OG 3.37Å; I155-W201 HydrophobicContact CD1-CZ2 4.17Å |
| 156 | V | 98.6 | Very high | 95.8 | Very high | 0 Ų | 0 | 32.5 Ų | 32.5 | 0% | 0 | 16% | 0.16 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.2 | 134.1 | 176.2 | -176.1 | 0 | 0 | 0 | 0 | 109.4 | N129 A147 S148 W158 M166 | N129-V156 HydrophobicContact CB-CG2 4.23Å; N129-V156 VanDerWaalsContact ND2-CG2 3.25Å; N129-V156 WeakPolarHBondContact ND2-CG2 3.4Å; A147-V156 CarbonylContact C-O 3.54Å; A147-V156 VanDerWaalsContact CA-O 3.3Å; A147-V156 WeakPolarHBondContact CA-O 3.41Å; S148-V156 PolarHBondContact N-O 2.93Å; S148-V156 PolarHBondContact O-N 3.4Å; V156-W158 HydrophobicContact CB-CZ2 4.1Å; V156-W158 HydrophobicContact CG1-CD2 3.8Å; V156-W158 HydrophobicContact CG1-CE3 4.29Å; V156-W158 HydrophobicContact CG1-CG 4.33Å; V156-W158 HydrophobicContact CG1-CH2 4.07Å; V156-W158 HydrophobicContact CG1-CZ2 3.55Å; V156-W158 HydrophobicContact CG1-CZ3 4.41Å; V156-M166 HydrophobicContact CG1-CG 3.73Å; V156-M166 HydrophobicContact CG1-SD 3.66Å |
| 157 | I | 98.4 | Very high | 95.7 | Very high | 0 Ų | 0 | 35 Ų | 35 | 0% | 0 | 18% | 0.175 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.6 | 119.8 | 174.4 | -50.4 | -59.7 | 0 | 0 | 0 | 108 | W145 A147 I155 V167 T168 L170 W182 I189 W206 | W145-I157 HydrophobicContact CB-CG2 3.91Å; W145-I157 HydrophobicContact CG-CG2 3.94Å; A147-I157 HydrophobicContact CB-CD1 3.67Å; I155-I157 HydrophobicContact CG2-CD1 4.22Å; I157-V167 HydrophobicContact CB-CB 4.32Å; I157-V167 HydrophobicContact CG2-CB 4.12Å; I157-V167 HydrophobicContact CG2-CG2 4.44Å; I157-V167 PolarHBondContact O-N 3.49Å; I157-T168 HydrophobicContact CB-CG2 3.81Å; I157-T168 HydrophobicContact CG1-CG2 3.62Å; I157-T168 PolarHBondContact N-O 3.18Å; I157-T168 PolarHBondContact O-N 2.87Å; I157-L170 HydrophobicContact CD1-CD1 4.33Å; I157-L170 HydrophobicContact CG1-CD1 4.42Å; I157-L170 HydrophobicContact CG1-CG 4.38Å; I157-W182 HydrophobicContact CD1-CH2 4.23Å; I157-W182 HydrophobicContact CD1-CZ2 4.32Å; I157-W182 HydrophobicContact CG2-CH2 4.26Å; I157-I189 HydrophobicContact CD1-CD1 3.91Å; I157-W206 HydrophobicContact CD1-CZ3 4.1Å; I157-W206 HydrophobicContact CG1-CE3 4.05Å; I157-W206 HydrophobicContact CG1-CH2 4.25Å; I157-W206 HydrophobicContact CG1-CZ3 3.84Å; I157-W206 HydrophobicContact CG2-CH2 3.8Å; I157-W206 HydrophobicContact CG2-CZ2 4.06Å; I157-W206 HydrophobicContact CG2-CZ3 4.26Å |
| 158 | W | 97.9 | Very high | 95.6 | Very high | 6 Ų | 6 | 36.6 Ų | 36.6 | 2% | 0.023 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.8 | 140.6 | -176.8 | -54 | 97.1 | 0 | 0 | 0 | 110.8 | L127 N129 W145 L146 S148 V156 A160 F163 P164 M166 | L127-W158 HydrophobicContact CB-CD2 3.94Å; L127-W158 HydrophobicContact CB-CE3 3.98Å; L127-W158 HydrophobicContact CB-CH2 3.67Å; L127-W158 HydrophobicContact CB-CZ2 3.61Å; L127-W158 HydrophobicContact CB-CZ3 3.86Å; L127-W158 HydrophobicContact CD1-CB 4.16Å; L127-W158 HydrophobicContact CD1-CD2 3.74Å; L127-W158 HydrophobicContact CD1-CE3 4.29Å; L127-W158 HydrophobicContact CD1-CG 3.68Å; L127-W158 HydrophobicContact CD2-CE3 4.39Å; L127-W158 HydrophobicContact CG-CD2 4.32Å; L127-W158 HydrophobicContact CG-CE3 4.45Å; N129-W158 HydrophobicContact CB-CH2 3.6Å; N129-W158 HydrophobicContact CB-CZ2 3.99Å; W145-W158 VanDerWaalsContact CA-O 3.27Å; W145-W158 WeakPolarHBondContact CA-O 3.48Å; L146-W158 HydrophobicContact CB-CB 4.37Å; L146-W158 PolarHBondContact N-O 2.79Å; L146-W158 WeakPolarHBondContact O-CB 3.33Å; L146-W158 VanDerWaalsContact O-CD1 3.27Å; L146-W158 PolarHBondContact O-N 3.11Å; S148-W158 PolarHBondContact OG-NE1 3Å; V156-W158 HydrophobicContact CB-CZ2 4.1Å; V156-W158 HydrophobicContact CG1-CD2 3.8Å; V156-W158 HydrophobicContact CG1-CE3 4.29Å; V156-W158 HydrophobicContact CG1-CG 4.33Å; V156-W158 HydrophobicContact CG1-CH2 4.07Å; V156-W158 HydrophobicContact CG1-CZ2 3.55Å; V156-W158 HydrophobicContact CG1-CZ3 4.41Å; W158-A160 PolarHBondContact O-N 3.31Å; W158-F163 HydrophobicContact CB-CD1 4.26Å; W158-F163 HydrophobicContact CB-CE1 3.91Å; W158-P164 WeakPolarHBondContact CZ3-O 3.41Å; W158-M166 HydrophobicContact CE3-CB 4.18Å; W158-M166 HydrophobicContact CZ3-CB 4.21Å |
| 159 | N | 94.2 | Very high | 95.6 | Very high | 21 Ų | 21 | 37.8 Ų | 37.8 | 11% | 0.112 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -78.7 | 104.8 | 174.5 | -174.5 | -17.3 | 0 | 0 | 0 | 110 | R161 K162 F163 E165 V167 | N159-R161 PolarHBondContact O-N 3.22Å; N159-R161 VanDerWaalsContact O-N 3.13Å; N159-R161 WeakPolarHBondContact OD1-CB 3.41Å; N159-R161 PolarHBondContact OD1-N 3.23Å; N159-K162 HydrophobicContact CB-CB 4.45Å; N159-K162 CarbonylContact O-C 3.58Å; N159-K162 PolarHBondContact O-N 3.48Å; N159-F163 PolarHBondContact O-N 2.83Å; N159-F163 VanDerWaalsContact O-N 3.14Å; N159-E165 HydrophobicContact CB-CB 4.14Å; N159-E165 HydrophobicContact CB-CG 4.26Å; N159-E165 PolarHBondContact N-O 3.06Å; N159-E165 PolarHBondContact ND2-OE1 2.93Å; N159-V167 HydrophobicContact CB-CG2 3.89Å |
| 160 | A | 92.8 | Very high | 95.6 | Very high | 12 Ų | 12 | 38 Ų | 38 | 10% | 0.099 | 19% | 0.194 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -66.6 | -16.7 | -176.2 | 0 | 0 | 0 | 0 | 0 | 113.8 | W139 D143 V144 W158 F163 | W139-A160 HydrophobicContact CE3-CB 4.44Å; W139-A160 HydrophobicContact CZ3-CB 3.87Å; D143-A160 WeakPolarHBondContact O-CB 3.39Å; V144-A160 WeakPolarHBondContact O-CB 3.46Å; V144-A160 PolarHBondContact O-N 3.06Å; W158-A160 PolarHBondContact O-N 3.31Å; A160-F163 HydrophobicContact CB-CE1 4.46Å; A160-F163 HydrophobicContact CB-CE2 4.1Å; A160-F163 HydrophobicContact CB-CZ 3.85Å |
| 161 | R | 86.3 | Confident | 95.5 | Very high | 112 Ų | 112 | 46.2 Ų | 46.2 | 42% | 0.423 | 23% | 0.225 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -84.5 | -18 | 175.1 | -57.7 | -156.3 | -97.4 | 164.9 | -11.9 | 113.7 | N159 Y405 E408 | N159-R161 PolarHBondContact O-N 3.22Å; N159-R161 VanDerWaalsContact O-N 3.13Å; N159-R161 WeakPolarHBondContact OD1-CB 3.41Å; N159-R161 PolarHBondContact OD1-N 3.23Å; R161-Y405 VanDerWaalsContact CD-CE2 3.41Å; R161-Y405 VanDerWaalsContact NH1-CD2 3.31Å; R161-E408 IonicContact CZ-OE2 2.7Å; R161-E408 VanDerWaalsContact CZ-OE2 3.3Å; R161-E408 IonicContact NH1-OE2 2.73Å; R161-E408 PolarHBondContact NH1-OE2 3.09Å; R161-E408 IonicContact NH2-OE2 3.51Å; R161-E408 PolarHBondContact NH2-OE2 3.28Å |
| 162 | K | 89.1 | Confident | 95.2 | Very high | 127 Ų | 127 | 46.6 Ų | 46.6 | 55% | 0.552 | 24% | 0.235 | S | C | * | . | S | Bend | trans | -139.6 | 33.7 | -170.5 | -63.8 | -176.1 | -178.6 | 174.2 | 0 | 113 | N159 E165 | N159-K162 HydrophobicContact CB-CB 4.45Å; N159-K162 CarbonylContact O-C 3.58Å; N159-K162 PolarHBondContact O-N 3.48Å; K162-E165 HydrophobicContact CB-CB 3.98Å; K162-E165 WeakPolarHBondContact CD-OE2 3.44Å; K162-E165 IonicContact NZ-OE2 3.15Å; K162-E165 PolarHBondContact NZ-OE2 3.03Å; K162-E165 WeakPolarHBondContact O-CB 3.29Å; K162-E165 PolarHBondContact O-N 3.39Å |
| 163 | F | 89.4 | Confident | 95.2 | Very high | 42 Ų | 42 | 45.8 Ų | 45.8 | 18% | 0.184 | 23% | 0.231 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -49.2 | 135.4 | 178.1 | -68.6 | -59.4 | 0 | 0 | 0 | 111.7 | V96 T125 L127 W139 L146 W158 N159 A160 | V96-F163 HydrophobicContact CG1-CE2 4.21Å; V96-F163 HydrophobicContact CG2-CE1 4.43Å; V96-F163 HydrophobicContact CG2-CE2 4.3Å; V96-F163 HydrophobicContact CG2-CZ 4.1Å; T125-F163 HydrophobicContact CG2-CB 3.74Å; T125-F163 HydrophobicContact CG2-CD2 4.11Å; T125-F163 HydrophobicContact CG2-CG 3.95Å; L127-F163 HydrophobicContact CD1-CD1 3.89Å; L127-F163 HydrophobicContact CD1-CE1 3.71Å; L127-F163 HydrophobicContact CD2-CB 4.13Å; L127-F163 HydrophobicContact CD2-CD1 3.6Å; L127-F163 HydrophobicContact CD2-CE1 4.28Å; L127-F163 HydrophobicContact CD2-CG 4.16Å; L127-F163 HydrophobicContact CG-CD1 4.41Å; W139-F163 HydrophobicContact CH2-CE2 4.02Å; W139-F163 AromaticContact CH2-CZ 3.8Å; W139-F163 HydrophobicContact CH2-CZ 3.8Å; W139-F163 HydrophobicContact CZ3-CE2 4.21Å; W139-F163 AromaticContact CZ3-CZ 3.84Å; W139-F163 HydrophobicContact CZ3-CZ 3.84Å; L146-F163 HydrophobicContact CB-CE1 4.14Å; L146-F163 HydrophobicContact CB-CZ 4.12Å; L146-F163 HydrophobicContact CD2-CE1 4.08Å; L146-F163 HydrophobicContact CD2-CZ 3.97Å; W158-F163 HydrophobicContact CB-CD1 4.26Å; W158-F163 HydrophobicContact CB-CE1 3.91Å; N159-F163 PolarHBondContact O-N 2.83Å; N159-F163 VanDerWaalsContact O-N 3.14Å; A160-F163 HydrophobicContact CB-CE1 4.46Å; A160-F163 HydrophobicContact CB-CE2 4.1Å; A160-F163 HydrophobicContact CB-CZ 3.85Å |
| 164 | P | 93.3 | Very high | 95.2 | Very high | 80 Ų | 80 | 48.9 Ų | 48.9 | 52% | 0.519 | 25% | 0.252 | S | S | . | . | T | Hydrogen-bonded Turn | cis | -94.2 | 21.9 | 11.2 | 38.5 | -37.3 | 0 | 0 | 0 | 115.5 | L127 W158 M166 | L127-P164 HydrophobicContact CD2-CB 3.81Å; W158-P164 WeakPolarHBondContact CZ3-O 3.41Å; P164-M166 PolarHBondContact O-N 2.78Å |
| 165 | E | 94.8 | Very high | 95 | Very high | 81 Ų | 81 | 49.2 Ų | 49.2 | 38% | 0.379 | 26% | 0.256 | S | S | . | . | trans | -52 | 123.5 | -179.2 | -175.5 | -175.5 | 106.4 | 0 | 0 | 112.4 | N159 K162 | N159-E165 HydrophobicContact CB-CB 4.14Å; N159-E165 HydrophobicContact CB-CG 4.26Å; N159-E165 PolarHBondContact N-O 3.06Å; N159-E165 PolarHBondContact ND2-OE1 2.93Å; K162-E165 HydrophobicContact CB-CB 3.98Å; K162-E165 WeakPolarHBondContact CD-OE2 3.44Å; K162-E165 IonicContact NZ-OE2 3.15Å; K162-E165 PolarHBondContact NZ-OE2 3.03Å; K162-E165 WeakPolarHBondContact O-CB 3.29Å; K162-E165 PolarHBondContact O-N 3.39Å | ||
| 166 | M | 95.8 | Very high | 94.9 | Very high | 82 Ų | 82 | 52.1 Ų | 52.1 | 40% | 0.404 | 27% | 0.271 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.9 | 132.9 | 172.3 | 178 | 179.3 | 67.6 | 0 | 0 | 109.9 | V156 W158 P164 C169 | V156-M166 HydrophobicContact CG1-CG 3.73Å; V156-M166 HydrophobicContact CG1-SD 3.66Å; W158-M166 HydrophobicContact CE3-CB 4.18Å; W158-M166 HydrophobicContact CZ3-CB 4.21Å; P164-M166 PolarHBondContact O-N 2.78Å; M166-C169 HydrophobicContact SD-CB 4.03Å |
| 167 | V | 95.4 | Very high | 94.9 | Very high | 51 Ų | 51 | 52.1 Ų | 52.1 | 31% | 0.309 | 27% | 0.271 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.4 | -46.4 | 172.9 | -179.4 | 0 | 0 | 0 | 0 | 110.5 | I157 N159 W206 | I157-V167 HydrophobicContact CB-CB 4.32Å; I157-V167 HydrophobicContact CG2-CB 4.12Å; I157-V167 HydrophobicContact CG2-CG2 4.44Å; I157-V167 PolarHBondContact O-N 3.49Å; N159-V167 HydrophobicContact CB-CG2 3.89Å; V167-W206 HydrophobicContact CG1-CZ2 4.26Å |
| 168 | T | 97.5 | Very high | 94.8 | Very high | 34 Ų | 34 | 52.7 Ų | 52.7 | 21% | 0.209 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -163.9 | 164.2 | 179.3 | -173.2 | 0 | 0 | 0 | 0 | 112 | I157 L170 W206 | I157-T168 HydrophobicContact CB-CG2 3.81Å; I157-T168 HydrophobicContact CG1-CG2 3.62Å; I157-T168 PolarHBondContact N-O 3.18Å; I157-T168 PolarHBondContact O-N 2.87Å; T168-L170 HydrophobicContact CG2-CD2 3.59Å; T168-L170 HydrophobicContact CG2-CG 4.45Å; T168-W206 HydrophobicContact CG2-CB 3.94Å; T168-W206 HydrophobicContact CG2-CD2 3.64Å; T168-W206 HydrophobicContact CG2-CE3 4.12Å; T168-W206 HydrophobicContact CG2-CG 3.52Å |
| 169 | C | 97.6 | Very high | 94.8 | Very high | 25 Ų | 25 | 52.4 Ų | 52.4 | 17% | 0.169 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.2 | 105.7 | 169.9 | -179.7 | 0 | 0 | 0 | 0 | 108.4 | I155 M166 | I155-C169 CarbonylContact O-C 3.26Å; I155-C169 WeakPolarHBondContact O-CA 3.37Å; M166-C169 HydrophobicContact SD-CB 4.03Å |
| 170 | L | 98.1 | Very high | 95 | Very high | 6 Ų | 6 | 51.6 Ų | 51.6 | 3% | 0.031 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.3 | 126.7 | 179.4 | -38.7 | 177.2 | 0 | 0 | 0 | 109.1 | I155 I157 T168 I189 W201 W206 | I155-L170 HydrophobicContact CB-CB 4.08Å; I155-L170 HydrophobicContact CB-CD1 4.16Å; I155-L170 HydrophobicContact CB-CG 4.24Å; I155-L170 HydrophobicContact CD1-CB 4.44Å; I155-L170 HydrophobicContact CD1-CD1 4.21Å; I155-L170 HydrophobicContact CG2-CD1 4.07Å; I155-L170 HydrophobicContact CG2-CG 4.47Å; I155-L170 PolarHBondContact N-O 3.41Å; I155-L170 VanDerWaalsContact N-O 3.13Å; I155-L170 PolarHBondContact O-N 3.36Å; I157-L170 HydrophobicContact CD1-CD1 4.33Å; I157-L170 HydrophobicContact CG1-CD1 4.42Å; I157-L170 HydrophobicContact CG1-CG 4.38Å; T168-L170 HydrophobicContact CG2-CD2 3.59Å; T168-L170 HydrophobicContact CG2-CG 4.45Å; L170-I189 HydrophobicContact CD1-CG2 4.16Å; L170-W201 HydrophobicContact CB-CD2 4.27Å; L170-W201 HydrophobicContact CB-CE3 4.09Å; L170-W201 HydrophobicContact CB-CH2 4.23Å; L170-W201 HydrophobicContact CB-CZ2 4.39Å; L170-W201 HydrophobicContact CB-CZ3 4.07Å; L170-W201 HydrophobicContact CD1-CB 4.07Å; L170-W201 HydrophobicContact CD1-CD2 3.87Å; L170-W201 HydrophobicContact CD1-CE3 4.3Å; L170-W201 HydrophobicContact CD1-CG 3.75Å; L170-W206 HydrophobicContact CD2-CB 3.79Å; L170-W206 HydrophobicContact CD2-CE3 4.14Å; L170-W206 HydrophobicContact CD2-CG 4.41Å |
| 171 | R | 96.5 | Very high | 95.2 | Very high | 172 Ų | 172 | 51.9 Ų | 51.9 | 65% | 0.649 | 27% | 0.269 | S | S | * | . | trans | -128 | 141.5 | -179.9 | -60.9 | -178.8 | -177.5 | -90.4 | -2.3 | 108.9 | T154 | T154-R171 HydrophobicContact CG2-CG 4.21Š| ||
| 172 | G | 91.9 | Very high | 95.8 | Very high | 40 Ų | 40 | 47.4 Ų | 47.4 | 41% | 0.412 | 25% | 0.252 | S | S | . | . | trans | 145.3 | -8.4 | -178.2 | 0 | 0 | 0 | 0 | 0 | 114.9 | K199 | G172-K199 WeakPolarHBondContact O-CE 3.19Å; G172-K199 PolarHBondContact O-NZ 3.44Å; G172-K199 VanDerWaalsContact O-NZ 3.07Å | ||
| 173 | H | 97.4 | Very high | 96 | Very high | 12 Ų | 12 | 41.4 Ų | 41.4 | 6% | 0.056 | 23% | 0.226 | C | C | . | . | trans | -73.3 | 145.3 | 155.4 | -81.9 | -67.1 | 0 | 0 | 0 | 109.8 | V177 S191 A193 D195 S197 K199 | H173-V177 HydrophobicContact CB-CG2 3.79Å; H173-S191 PolarHBondContact NE2-OG 3.06Å; H173-A193 HydrophobicContact CB-CB 4.35Å; H173-A193 VanDerWaalsContact ND1-CB 3.31Å; H173-A193 WeakPolarHBondContact ND1-CB 3.14Å; H173-D195 WeakPolarHBondContact CA-OD2 3.48Å; H173-D195 WeakPolarHBondContact CB-OD2 3.25Å; H173-D195 IonicContact CE1-OD1 3.66Å; H173-D195 IonicContact CG-OD2 2.8Å; H173-D195 IonicContact ND1-OD1 2.78Å; H173-D195 PolarHBondContact ND1-OD1 2.85Å; H173-D195 VanDerWaalsContact ND1-OD1 3.15Å; H173-D195 IonicContact ND1-OD2 2.72Å; H173-D195 PolarHBondContact ND1-OD2 2.81Å; H173-S197 PolarHBondContact CE1-OG 2.87Å; H173-S197 VanDerWaalsContact CE1-OG 3.28Å; H173-S197 PolarHBondContact ND1-OG 2.88Å; H173-K199 WeakPolarHBondContact ND1-CE 3.33Å | ||
| 174 | T | 96.1 | Very high | 96.1 | Very high | 118 Ų | 118 | 41.2 Ų | 41.2 | 72% | 0.724 | 23% | 0.229 | S | C | * | . | S | Bend | trans | -110.2 | 12.5 | 177 | 58.6 | 0 | 0 | 0 | 0 | 112.7 | D195 | T174-D195 PolarHBondContact N-OD2 2.92Å; T174-D195 WeakPolarHBondContact OG1-CB 3.36Å |
| 175 | G | 94.9 | Very high | 95.7 | Very high | 11 Ų | 11 | 37.5 Ų | 37.5 | 11% | 0.113 | 20% | 0.204 | C | C | . | . | S | Bend | trans | -157.8 | 173.1 | -178.4 | 0 | 0 | 0 | 0 | 0 | 111.2 | N153 V177 | N153-G175 VanDerWaalsContact OD1-CA 3.27Å; N153-G175 WeakPolarHBondContact OD1-CA 3.47Å; N153-G175 PolarHBondContact OD1-O 3.05Å; N153-G175 VanDerWaalsContact OD1-O 3.12Å; G175-V177 PolarHBondContact O-N 3.35Å |
| 176 | L | 96.8 | Very high | 95.3 | Very high | 63 Ų | 63 | 33.6 Ų | 33.6 | 33% | 0.33 | 19% | 0.186 | S | C | . | . | trans | -61.5 | 120.6 | -163 | -40.1 | -173.9 | 0 | 0 | 0 | 111.3 | V151 N153 A193 D194 | V151-L176 HydrophobicContact CB-CB 4.29Å; V151-L176 HydrophobicContact CB-CD1 4.38Å; V151-L176 HydrophobicContact CB-CD2 4.06Å; V151-L176 HydrophobicContact CB-CG 4.46Å; V151-L176 HydrophobicContact CG1-CB 4.28Å; V151-L176 HydrophobicContact CG1-CD1 4.25Å; V151-L176 VanDerWaalsContact O-CD2 3.3Å; V151-L176 WeakPolarHBondContact O-CD2 3.43Å; N153-L176 PolarHBondContact OD1-N 3.06Å; L176-A193 CarbonylContact O-C 3.56Å; L176-A193 WeakPolarHBondContact O-CA 3.44Å; L176-A193 VanDerWaalsContact O-CB 3.28Å; L176-A193 WeakPolarHBondContact O-CB 3.29Å; L176-D194 HydrophobicContact CB-CB 4.27Å; L176-D194 HydrophobicContact CG-CB 4.37Å; L176-D194 PolarHBondContact O-N 2.86Å | ||
| 177 | V | 98.1 | Very high | 95.1 | Very high | 0 Ų | 0 | 32.7 Ų | 32.7 | 0% | 0 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.7 | 120.3 | -178.2 | -166 | 0 | 0 | 0 | 0 | 109.6 | M135 C149 S150 I155 H173 G175 A193 | M135-V177 WeakPolarHBondContact CB-O 3.32Å; C149-V177 HydrophobicContact CB-CB 3.86Å; C149-V177 HydrophobicContact CB-CG1 3.61Å; C149-V177 PolarHBondContact SG-O 3.03Å; S150-V177 PolarHBondContact O-N 3.4Å; I155-V177 HydrophobicContact CD1-CG1 4.43Å; I155-V177 HydrophobicContact CG1-CG1 4.09Å; H173-V177 HydrophobicContact CB-CG2 3.79Å; G175-V177 PolarHBondContact O-N 3.35Å; V177-A193 HydrophobicContact CB-CB 4.36Å; V177-A193 HydrophobicContact CG2-CB 4.14Å |
| 178 | K | 97.3 | Very high | 95.1 | Very high | 11 Ų | 11 | 31 Ų | 31 | 5% | 0.048 | 17% | 0.168 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124 | 6.7 | -165.9 | -73.5 | 177 | -179.9 | 169.2 | 0 | 114.8 | M135 Q192 D194 T223 L226 R227 | M135-K178 HydrophobicContact CB-CG 4.43Å; M135-K178 HydrophobicContact CG-CG 4.28Å; K178-Q192 PolarHBondContact N-O 3.15Å; K178-D194 WeakPolarHBondContact CE-OD1 3.48Å; K178-D194 WeakPolarHBondContact CE-OD2 3.41Å; K178-D194 IonicContact NZ-OD1 3.69Å; K178-D194 PolarHBondContact NZ-OD1 3Å; K178-D194 IonicContact NZ-OD2 3.81Å; K178-D194 PolarHBondContact NZ-OD2 2.86Å; K178-T223 PolarHBondContact NZ-O 3.2Å; K178-L226 HydrophobicContact CB-CB 3.95Å; K178-L226 HydrophobicContact CB-CD1 4.15Å; K178-L226 HydrophobicContact CB-CG 4.05Å; K178-L226 HydrophobicContact CD-CD1 4.45Å; K178-L226 PolarHBondContact O-N 3.02Å; K178-R227 PolarHBondContact O-NH1 2.94Å |
| 179 | G | 97 | Very high | 95.1 | Very high | 0 Ų | 0 | 29.4 Ų | 29.4 | 0% | 0 | 16% | 0.158 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -158.4 | 139 | -177.3 | 0 | 0 | 0 | 0 | 0 | 112.6 | D136 S191 Q192 L226 | D136-G179 VanDerWaalsContact OD2-CA 3.31Å; D136-G179 WeakPolarHBondContact OD2-CA 3.48Å; G179-S191 WeakPolarHBondContact O-CA 3.38Å; G179-Q192 PolarHBondContact N-O 3.5Å; G179-Q192 PolarHBondContact O-N 3.07Å; G179-L226 VanDerWaalsContact CA-O 3.3Å; G179-L226 WeakPolarHBondContact CA-O 3.38Å |
| 180 | L | 98.2 | Very high | 95.1 | Very high | 5 Ų | 5 | 28.2 Ų | 28.2 | 3% | 0.026 | 15% | 0.15 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.7 | 145.9 | 171 | -70.9 | 175.6 | 0 | 0 | 0 | 112.4 | D136 A138 A147 S148 C149 I155 I189 A190 | D136-L180 HydrophobicContact CB-CB 4.4Å; D136-L180 HydrophobicContact CB-CG 4.43Å; D136-L180 PolarHBondContact OD2-N 2.92Å; A138-L180 HydrophobicContact CB-CB 4.07Å; A147-L180 HydrophobicContact CB-CD1 3.78Å; S148-L180 VanDerWaalsContact C-CD1 3.45Å; C149-L180 HydrophobicContact CB-CD1 3.76Å; C149-L180 HydrophobicContact CB-CD2 4.11Å; C149-L180 HydrophobicContact CB-CG 3.79Å; I155-L180 HydrophobicContact CD1-CD2 4.14Å; I155-L180 HydrophobicContact CG1-CD2 4.13Å; I155-L180 HydrophobicContact CG2-CD1 4.22Å; I155-L180 HydrophobicContact CG2-CD2 3.77Å; L180-I189 HydrophobicContact CD2-CD1 4.11Å; L180-A190 WeakPolarHBondContact CA-O 3.38Å |
| 181 | T | 98.1 | Very high | 95.2 | Very high | 17 Ų | 17 | 27.9 Ų | 27.9 | 10% | 0.104 | 15% | 0.149 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -153.1 | 142.2 | 168.9 | -171.4 | 0 | 0 | 0 | 0 | 111.5 | I189 A190 L228 W230 L237 | T181-I189 WeakPolarHBondContact O-CG1 3.44Å; T181-A190 HydrophobicContact CG2-CB 3.99Å; T181-A190 PolarHBondContact N-O 2.9Å; T181-A190 PolarHBondContact O-N 3.13Å; T181-L228 HydrophobicContact CG2-CD1 3.88Å; T181-L228 HydrophobicContact CG2-CD2 4.4Å; T181-L228 HydrophobicContact CG2-CG 3.6Å; T181-W230 HydrophobicContact CG2-CG 4.48Å; T181-W230 PolarHBondContact OG1-N 3.28Å; T181-L237 HydrophobicContact CG2-CD1 3.55Å |
| 182 | W | 97.3 | Very high | 95.2 | Very high | 19 Ų | 19 | 20 Ų | 20 | 7% | 0.072 | 12% | 0.119 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.5 | 142.4 | 175.1 | -65 | 90 | 0 | 0 | 0 | 110.8 | A138 W139 W145 A147 I157 I189 T203 W206 | A138-W182 PolarHBondContact O-NE1 2.94Å; W139-W182 VanDerWaalsContact C-CD1 3.46Å; W139-W182 PolarHBondContact O-NE1 2.82Å; W145-W182 HydrophobicContact CB-CH2 3.74Å; W145-W182 HydrophobicContact CB-CZ2 3.89Å; W145-W182 HydrophobicContact CD2-CH2 4.22Å; W145-W182 AromaticContact CE3-CH2 3.68Å; W145-W182 HydrophobicContact CE3-CH2 3.68Å; W145-W182 AromaticContact CE3-CZ3 3.7Å; W145-W182 HydrophobicContact CE3-CZ3 3.7Å; W145-W182 HydrophobicContact CG-CH2 4.3Å; W145-W182 HydrophobicContact CZ3-CZ3 4.27Å; A147-W182 HydrophobicContact CB-CZ2 3.71Å; I157-W182 HydrophobicContact CD1-CH2 4.23Å; I157-W182 HydrophobicContact CD1-CZ2 4.32Å; I157-W182 HydrophobicContact CG2-CH2 4.26Å; W182-I189 HydrophobicContact CD2-CB 4.22Å; W182-I189 HydrophobicContact CD2-CD1 4.1Å; W182-I189 HydrophobicContact CD2-CG1 4.13Å; W182-I189 HydrophobicContact CE3-CB 3.93Å; W182-I189 HydrophobicContact CE3-CD1 4.47Å; W182-I189 HydrophobicContact CE3-CG1 4.36Å; W182-I189 HydrophobicContact CG-CG1 4.46Å; W182-I189 HydrophobicContact CH2-CD1 4.37Å; W182-I189 HydrophobicContact CZ2-CD1 3.99Å; W182-I189 HydrophobicContact CZ3-CB 4.23Å; W182-T203 HydrophobicContact CE3-CG2 4.11Å; W182-T203 HydrophobicContact CZ3-CG2 3.68Å; W182-W206 AromaticContact CH2-CH2 3.9Å; W182-W206 HydrophobicContact CH2-CH2 3.9Å; W182-W206 HydrophobicContact CH2-CZ3 4.23Å; W182-W206 AromaticContact CZ3-CH2 4Å; W182-W206 HydrophobicContact CZ3-CH2 4Å; W182-W206 HydrophobicContact CZ3-CZ3 4.24Å |
| 183 | D | 94.7 | Very high | 95.5 | Very high | 0 Ų | 0 | 18.2 Ų | 18.2 | 0% | 0 | 10% | 0.101 | C | C | . | . | trans | -58.4 | 134.2 | 166 | 169.4 | 24.8 | 0 | 0 | 0 | 109.8 | P141 V185 G186 K187 Y188 W230 R255 | P141-D183 VanDerWaalsContact CG-O 3.29Å; P141-D183 WeakPolarHBondContact CG-O 3.46Å; D183-V185 PolarHBondContact O-N 3.03Å; D183-V185 PolarHBondContact OD1-N 3.35Å; D183-G186 VanDerWaalsContact O-CA 3.29Å; D183-G186 WeakPolarHBondContact O-CA 3.43Å; D183-G186 PolarHBondContact O-N 3.33Å; D183-G186 PolarHBondContact OD2-N 3.13Å; D183-K187 VanDerWaalsContact OD2-CB 3.27Å; D183-K187 WeakPolarHBondContact OD2-CB 3.27Å; D183-K187 PolarHBondContact OD2-N 3.28Å; D183-Y188 WeakPolarHBondContact CB-O 3.29Å; D183-Y188 PolarHBondContact N-O 2.81Å; D183-W230 HydrophobicContact CB-CD2 4.39Å; D183-W230 HydrophobicContact CB-CZ2 4.38Å; D183-W230 VanDerWaalsContact N-CD1 3.31Å; D183-R255 VanDerWaalsContact CG-NH1 3.26Å; D183-R255 IonicContact OD1-CZ 2.7Å; D183-R255 IonicContact OD1-NH1 3.42Å; D183-R255 PolarHBondContact OD1-NH1 2.89Å; D183-R255 IonicContact OD1-NH2 3.39Å; D183-R255 IonicContact OD2-CZ 2.85Å; D183-R255 IonicContact OD2-NH1 3.48Å; D183-R255 PolarHBondContact OD2-NH1 3.08Å; D183-R255 IonicContact OD2-NH2 3.8Å; D183-R255 PolarHBondContact OD2-NH2 3.46Å | ||
| 184 | P | 90.1 | Very high | 95.4 | Very high | 39 Ų | 39 | 19.5 Ų | 19.5 | 25% | 0.253 | 11% | 0.108 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -61.6 | -26.6 | 174.9 | 27.3 | -38.6 | 0 | 0 | 0 | 113.5 | G186 S231 | P184-G186 VanDerWaalsContact C-N 3.27Å; P184-S231 WeakPolarHBondContact CG-O 3.42Å |
| 185 | V | 85.6 | Confident | 95.3 | Very high | 1 Ų | 1 | 15.2 Ų | 15.2 | 1% | 0.006 | 8% | 0.081 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -81.9 | -11.6 | 172.6 | -163.5 | 0 | 0 | 0 | 0 | 111.2 | D183 K187 Y379 V396 E398 | D183-V185 PolarHBondContact O-N 3.03Å; D183-V185 PolarHBondContact OD1-N 3.35Å; V185-K187 VanDerWaalsContact C-N 3.27Å; V185-K187 PolarHBondContact O-N 3.11Å; V185-Y379 HydrophobicContact CG1-CD2 4.36Å; V185-Y379 HydrophobicContact CG1-CG 4.36Å; V185-Y379 HydrophobicContact CG2-CD2 3.62Å; V185-Y379 HydrophobicContact CG2-CE2 3.49Å; V185-Y379 VanDerWaalsContact CG2-CE2 3.49Å; V185-Y379 HydrophobicContact CG2-CG 4.23Å; V185-V396 HydrophobicContact CG1-CB 4.27Å; V185-V396 HydrophobicContact CG1-CG1 4.09Å; V185-V396 WeakPolarHBondContact CG1-O 3.49Å; V185-E398 HydrophobicContact CG1-CG 3.95Å |
| 186 | G | 87.1 | Confident | 95.3 | Very high | 0 Ų | 0 | 18.7 Ų | 18.7 | 0% | 0 | 9% | 0.094 | C | C | . | . | S | Bend | trans | 70.8 | 12.5 | 175.2 | 0 | 0 | 0 | 0 | 0 | 115.6 | D183 P184 Y188 T203 M402 | D183-G186 VanDerWaalsContact O-CA 3.29Å; D183-G186 WeakPolarHBondContact O-CA 3.43Å; D183-G186 PolarHBondContact O-N 3.33Å; D183-G186 PolarHBondContact OD2-N 3.13Å; P184-G186 VanDerWaalsContact C-N 3.27Å; G186-Y188 VanDerWaalsContact C-N 3.3Å; G186-T203 WeakPolarHBondContact O-CB 3.4Å; G186-T203 VanDerWaalsContact O-CG2 3.27Å; G186-T203 WeakPolarHBondContact O-CG2 3.47Å; G186-T203 PolarHBondContact O-OG1 2.97Å; G186-M402 WeakPolarHBondContact O-CE 3.26Å |
| 187 | K | 90.3 | Very high | 95.3 | Very high | 62 Ų | 62 | 15.9 Ų | 15.9 | 27% | 0.27 | 8% | 0.079 | S | C | . | . | S | Bend | trans | -69.5 | -31.7 | 175.3 | -172.4 | 178.6 | -166.6 | 151.4 | 0 | 112.1 | D183 V185 T203 E398 | D183-K187 VanDerWaalsContact OD2-CB 3.27Å; D183-K187 WeakPolarHBondContact OD2-CB 3.27Å; D183-K187 PolarHBondContact OD2-N 3.28Å; V185-K187 VanDerWaalsContact C-N 3.27Å; V185-K187 PolarHBondContact O-N 3.11Å; K187-T203 PolarHBondContact O-N 3.47Å; K187-T203 PolarHBondContact O-OG1 3.15Å; K187-E398 HydrophobicContact CB-CB 4.25Å; K187-E398 WeakPolarHBondContact CD-OE1 3.15Å; K187-E398 WeakPolarHBondContact CD-OE2 3.12Å; K187-E398 VanDerWaalsContact CE-OE2 3.3Å; K187-E398 WeakPolarHBondContact CE-OE2 3.39Å; K187-E398 HydrophobicContact CG-CB 4.45Å; K187-E398 IonicContact NZ-OE1 2.9Å; K187-E398 IonicContact NZ-OE2 2.73Å; K187-E398 PolarHBondContact NZ-OE2 3.21Å |
| 188 | Y | 95.9 | Very high | 95.3 | Very high | 15 Ų | 15 | 15.9 Ų | 15.9 | 6% | 0.059 | 8% | 0.079 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.8 | 152.3 | -174.1 | -56.3 | -67.3 | 0 | 0 | 0 | 113.5 | D183 G186 V200 W201 R202 E209 W230 W258 | D183-Y188 WeakPolarHBondContact CB-O 3.29Å; D183-Y188 PolarHBondContact N-O 2.81Å; G186-Y188 VanDerWaalsContact C-N 3.3Å; Y188-V200 HydrophobicContact CD1-CG1 3.7Å; Y188-V200 HydrophobicContact CD2-CG1 4.48Å; Y188-V200 HydrophobicContact CE1-CG1 4.45Å; Y188-V200 HydrophobicContact CG-CG1 3.71Å; Y188-W201 CarbonylContact C-O 3.6Å; Y188-W201 VanDerWaalsContact CA-O 3.25Å; Y188-W201 WeakPolarHBondContact CA-O 3.23Å; Y188-R202 HydrophobicContact CD1-CG 4.24Å; Y188-R202 HydrophobicContact CE1-CG 3.9Å; Y188-E209 HydrophobicContact CD1-CB 4.39Å; Y188-E209 HydrophobicContact CD1-CG 4.49Å; Y188-E209 HydrophobicContact CE1-CB 3.95Å; Y188-E209 HydrophobicContact CE1-CG 3.63Å; Y188-E209 PolarHBondContact OH-OE1 2.84Å; Y188-W230 HydrophobicContact CD2-CH2 4.45Å; Y188-W230 HydrophobicContact CD2-CZ2 4.43Å; Y188-W258 AromaticContact CD2-CH2 3.83Å; Y188-W258 HydrophobicContact CD2-CH2 3.83Å; Y188-W258 HydrophobicContact CD2-CZ2 4.15Å; Y188-W258 HydrophobicContact CE1-CZ2 4.12Å; Y188-W258 AromaticContact CE2-CH2 3.77Å; Y188-W258 HydrophobicContact CE2-CH2 3.77Å; Y188-W258 AromaticContact CE2-CZ2 3.7Å; Y188-W258 HydrophobicContact CE2-CZ2 3.7Å; Y188-W258 HydrophobicContact CG-CH2 4.3Å; Y188-W258 AromaticContact CZ-CZ2 3.69Å |
| 189 | I | 98 | Very high | 95.3 | Very high | 1 Ų | 1 | 16 Ų | 16 | 1% | 0.005 | 8% | 0.08 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.6 | 143.2 | 154.7 | -172.2 | 176.2 | 0 | 0 | 0 | 108.1 | A147 I157 L170 L180 T181 W182 W201 W206 | A147-I189 HydrophobicContact CB-CD1 3.39Å; I157-I189 HydrophobicContact CD1-CD1 3.91Å; L170-I189 HydrophobicContact CD1-CG2 4.16Å; L180-I189 HydrophobicContact CD2-CD1 4.11Å; T181-I189 WeakPolarHBondContact O-CG1 3.44Å; W182-I189 HydrophobicContact CD2-CB 4.22Å; W182-I189 HydrophobicContact CD2-CD1 4.1Å; W182-I189 HydrophobicContact CD2-CG1 4.13Å; W182-I189 HydrophobicContact CE3-CB 3.93Å; W182-I189 HydrophobicContact CE3-CD1 4.47Å; W182-I189 HydrophobicContact CE3-CG1 4.36Å; W182-I189 HydrophobicContact CG-CG1 4.46Å; W182-I189 HydrophobicContact CH2-CD1 4.37Å; W182-I189 HydrophobicContact CZ2-CD1 3.99Å; W182-I189 HydrophobicContact CZ3-CB 4.23Å; I189-W201 HydrophobicContact CG2-CB 3.84Å; I189-W201 HydrophobicContact CG2-CG 4.32Å; I189-W201 PolarHBondContact N-O 3.17Å; I189-W201 PolarHBondContact O-N 3.26Å; I189-W206 HydrophobicContact CG2-CZ3 4.32Å |
| 190 | A | 98.5 | Very high | 95.4 | Very high | 0 Ų | 0 | 16 Ų | 16 | 0% | 0 | 8% | 0.08 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.6 | 146.3 | 176.7 | 0 | 0 | 0 | 0 | 0 | 111.7 | L180 T181 K199 V200 L228 L237 | L180-A190 WeakPolarHBondContact CA-O 3.38Å; T181-A190 HydrophobicContact CG2-CB 3.99Å; T181-A190 PolarHBondContact N-O 2.9Å; T181-A190 PolarHBondContact O-N 3.13Å; A190-K199 WeakPolarHBondContact CA-O 3.39Å; A190-V200 HydrophobicContact CB-CG2 4.34Å; A190-L228 HydrophobicContact CB-CD1 4.1Å; A190-L237 HydrophobicContact CB-CD1 4.24Å; A190-L237 HydrophobicContact CB-CD2 3.46Å; A190-L237 VanDerWaalsContact CB-CD2 3.46Å |
| 191 | S | 98.5 | Very high | 95.4 | Very high | 0 Ų | 0 | 16.2 Ų | 16.2 | 0% | 0 | 8% | 0.08 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.6 | 146.3 | -176 | 57.9 | 0 | 0 | 0 | 0 | 111.9 | I155 H173 G179 L198 K199 W201 | I155-S191 VanDerWaalsContact CD1-CB 3.41Å; I155-S191 WeakPolarHBondContact CD1-OG 3.37Å; H173-S191 PolarHBondContact NE2-OG 3.06Å; G179-S191 WeakPolarHBondContact O-CA 3.38Å; S191-L198 CarbonylContact O-C 3.45Å; S191-L198 VanDerWaalsContact O-CA 3.3Å; S191-L198 WeakPolarHBondContact O-CA 3.43Å; S191-K199 PolarHBondContact N-O 3.02Å; S191-K199 PolarHBondContact O-N 2.87Å; S191-W201 PolarHBondContact OG-NE1 3.46Å |
| 192 | Q | 97.9 | Very high | 95.3 | Very high | 5 Ų | 5 | 18.9 Ų | 18.9 | 2% | 0.023 | 9% | 0.089 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.2 | 140.4 | 173.7 | -159 | -179.8 | 0.6 | 0 | 0 | 110.8 | K178 G179 L198 F216 L226 L228 H241 | K178-Q192 PolarHBondContact N-O 3.15Å; G179-Q192 PolarHBondContact N-O 3.5Å; G179-Q192 PolarHBondContact O-N 3.07Å; Q192-L198 HydrophobicContact CG-CB 4.4Å; Q192-F216 VanDerWaalsContact NE2-CE1 3.26Å; Q192-L226 HydrophobicContact CB-CB 4.18Å; Q192-L226 HydrophobicContact CB-CD1 4.44Å; Q192-L226 HydrophobicContact CG-CB 4.4Å; Q192-L226 HydrophobicContact CG-CD1 4.04Å; Q192-L228 HydrophobicContact CB-CD1 4.3Å; Q192-L228 HydrophobicContact CB-CD2 4.2Å; Q192-H241 PolarHBondContact NE2-O 2.79Å |
| 193 | A | 96.8 | Very high | 95 | Very high | 4 Ų | 4 | 18.1 Ų | 18.1 | 3% | 0.033 | 9% | 0.086 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.6 | 168.2 | -174 | 0 | 0 | 0 | 0 | 0 | 113.4 | H173 L176 V177 D195 S197 | H173-A193 HydrophobicContact CB-CB 4.35Å; H173-A193 VanDerWaalsContact ND1-CB 3.31Å; H173-A193 WeakPolarHBondContact ND1-CB 3.14Å; L176-A193 CarbonylContact O-C 3.56Å; L176-A193 WeakPolarHBondContact O-CA 3.44Å; L176-A193 VanDerWaalsContact O-CB 3.28Å; L176-A193 WeakPolarHBondContact O-CB 3.29Å; V177-A193 HydrophobicContact CB-CB 4.36Å; V177-A193 HydrophobicContact CG2-CB 4.14Å; A193-D195 PolarHBondContact O-N 3.01Å; A193-D195 VanDerWaalsContact O-N 3.17Å; A193-S197 PolarHBondContact N-O 2.81Å |
| 194 | D | 95.2 | Very high | 94.8 | Very high | 39 Ų | 39 | 22 Ų | 22 | 21% | 0.209 | 11% | 0.11 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -66.5 | -5.1 | 174 | -82.1 | 4.3 | 0 | 0 | 0 | 113.8 | L176 K178 H196 T222 | L176-D194 HydrophobicContact CB-CB 4.27Å; L176-D194 HydrophobicContact CG-CB 4.37Å; L176-D194 PolarHBondContact O-N 2.86Å; K178-D194 WeakPolarHBondContact CE-OD1 3.48Å; K178-D194 WeakPolarHBondContact CE-OD2 3.41Å; K178-D194 IonicContact NZ-OD1 3.69Å; K178-D194 PolarHBondContact NZ-OD1 3Å; K178-D194 IonicContact NZ-OD2 3.81Å; K178-D194 PolarHBondContact NZ-OD2 2.86Å; D194-H196 PolarHBondContact O-CD2 2.68Å; D194-H196 PolarHBondContact O-N 2.93Å; D194-T222 VanDerWaalsContact OD2-CG2 3.3Å; D194-T222 WeakPolarHBondContact OD2-CG2 3.37Å |
| 195 | D | 94.6 | Very high | 94.7 | Very high | 28 Ų | 28 | 23.2 Ų | 23.2 | 15% | 0.15 | 11% | 0.114 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -80.3 | 16.4 | 176.2 | 68.1 | 3.2 | 0 | 0 | 0 | 114.5 | H173 T174 A193 S197 | H173-D195 WeakPolarHBondContact CA-OD2 3.48Å; H173-D195 WeakPolarHBondContact CB-OD2 3.25Å; H173-D195 IonicContact CE1-OD1 3.66Å; H173-D195 IonicContact CG-OD2 2.8Å; H173-D195 IonicContact ND1-OD1 2.78Å; H173-D195 PolarHBondContact ND1-OD1 2.85Å; H173-D195 VanDerWaalsContact ND1-OD1 3.15Å; H173-D195 IonicContact ND1-OD2 2.72Å; H173-D195 PolarHBondContact ND1-OD2 2.81Å; T174-D195 PolarHBondContact N-OD2 2.92Å; T174-D195 WeakPolarHBondContact OG1-CB 3.36Å; A193-D195 PolarHBondContact O-N 3.01Å; A193-D195 VanDerWaalsContact O-N 3.17Å; D195-S197 VanDerWaalsContact CG-OG 3.27Å; D195-S197 PolarHBondContact O-N 3.48Å; D195-S197 WeakPolarHBondContact OD1-CB 3.38Å; D195-S197 PolarHBondContact OD1-N 3.13Å; D195-S197 VanDerWaalsContact OD1-N 3.08Å; D195-S197 PolarHBondContact OD1-OG 2.85Å; D195-S197 PolarHBondContact OD2-OG 2.82Å |
| 196 | H | 95.1 | Very high | 95.1 | Very high | 84 Ų | 84 | 24.8 Ų | 24.8 | 39% | 0.389 | 12% | 0.12 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 56.8 | 34.1 | -175.9 | -52.5 | -97.7 | 0 | 0 | 0 | 112.7 | D194 T213 F216 C219 | D194-H196 PolarHBondContact O-CD2 2.68Å; D194-H196 PolarHBondContact O-N 2.93Å; H196-T213 WeakPolarHBondContact O-CA 3.32Å; H196-F216 HydrophobicContact CB-CB 3.97Å; H196-F216 PolarHBondContact ND1-O 2.94Å; H196-F216 WeakPolarHBondContact O-CB 3.32Å; H196-C219 PolarHBondContact CE1-O 3.27Å; H196-C219 VanDerWaalsContact CE1-O 3.28Å |
| 197 | S | 96.3 | Very high | 95.5 | Very high | 3 Ų | 3 | 30 Ų | 30 | 2% | 0.021 | 14% | 0.144 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.9 | 146.6 | 172.8 | 78.2 | 0 | 0 | 0 | 0 | 114 | H173 A193 D195 K199 I212 | H173-S197 PolarHBondContact CE1-OG 2.87Å; H173-S197 VanDerWaalsContact CE1-OG 3.28Å; H173-S197 PolarHBondContact ND1-OG 2.88Å; A193-S197 PolarHBondContact N-O 2.81Å; D195-S197 VanDerWaalsContact CG-OG 3.27Å; D195-S197 PolarHBondContact O-N 3.48Å; D195-S197 WeakPolarHBondContact OD1-CB 3.38Å; D195-S197 PolarHBondContact OD1-N 3.13Å; D195-S197 VanDerWaalsContact OD1-N 3.08Å; D195-S197 PolarHBondContact OD1-OG 2.85Å; D195-S197 PolarHBondContact OD2-OG 2.82Å; S197-K199 VanDerWaalsContact OG-CE 3.28Å; S197-K199 WeakPolarHBondContact OG-CE 3.36Å; S197-I212 WeakPolarHBondContact CA-O 3.48Å |
| 198 | L | 98.1 | Very high | 95.9 | Very high | 0 Ų | 0 | 31.1 Ų | 31.1 | 0% | 0 | 15% | 0.151 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.4 | 125.5 | 156.3 | -175 | 157.4 | 0 | 0 | 0 | 107.1 | S191 Q192 V200 I212 F216 L228 L237 | S191-L198 CarbonylContact O-C 3.45Å; S191-L198 VanDerWaalsContact O-CA 3.3Å; S191-L198 WeakPolarHBondContact O-CA 3.43Å; Q192-L198 HydrophobicContact CG-CB 4.4Å; L198-V200 HydrophobicContact CD2-CG2 3.93Å; L198-I212 HydrophobicContact CB-CB 4.46Å; L198-I212 HydrophobicContact CD2-CD1 3.93Å; L198-I212 PolarHBondContact N-O 3.09Å; L198-I212 PolarHBondContact O-N 2.77Å; L198-F216 HydrophobicContact CB-CE2 3.61Å; L198-F216 HydrophobicContact CB-CZ 3.83Å; L198-F216 HydrophobicContact CD1-CZ 4.46Å; L198-L228 HydrophobicContact CD1-CD1 3.69Å; L198-L228 HydrophobicContact CG-CD1 4.09Å; L198-L237 HydrophobicContact CD1-CD2 4.25Å; L198-L237 HydrophobicContact CD2-CD2 3.78Å |
| 199 | K | 98.5 | Very high | 95.9 | Very high | 13 Ų | 13 | 33.6 Ų | 33.6 | 6% | 0.057 | 16% | 0.163 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.8 | 147 | 177.3 | -65.4 | 176.3 | -161.2 | -74.5 | 0 | 110.4 | G172 H173 A190 S191 S197 W201 M208 A210 N211 | G172-K199 WeakPolarHBondContact O-CE 3.19Å; G172-K199 PolarHBondContact O-NZ 3.44Å; G172-K199 VanDerWaalsContact O-NZ 3.07Å; H173-K199 WeakPolarHBondContact ND1-CE 3.33Å; A190-K199 WeakPolarHBondContact CA-O 3.39Å; S191-K199 PolarHBondContact N-O 3.02Å; S191-K199 PolarHBondContact O-N 2.87Å; S197-K199 VanDerWaalsContact OG-CE 3.28Å; S197-K199 WeakPolarHBondContact OG-CE 3.36Å; K199-W201 HydrophobicContact CB-CZ2 3.98Å; K199-W201 HydrophobicContact CD-CH2 4.12Å; K199-W201 HydrophobicContact CD-CZ2 3.62Å; K199-W201 HydrophobicContact CG-CZ2 4.45Å; K199-M208 HydrophobicContact CB-SD 4.48Å; K199-M208 HydrophobicContact CD-SD 3.87Å; K199-M208 HydrophobicContact CG-SD 4.03Å; K199-A210 WeakPolarHBondContact CA-O 3.46Å; K199-N211 PolarHBondContact NZ-OD1 3.1Å |
| 200 | V | 98.6 | Very high | 95.9 | Very high | 0 Ų | 0 | 34.1 Ų | 34.1 | 0% | 0 | 17% | 0.168 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.4 | 133.8 | 173.4 | -172.2 | 0 | 0 | 0 | 0 | 108.2 | Y188 A190 L198 M208 E209 A210 L237 W258 | Y188-V200 HydrophobicContact CD1-CG1 3.7Å; Y188-V200 HydrophobicContact CD2-CG1 4.48Å; Y188-V200 HydrophobicContact CE1-CG1 4.45Å; Y188-V200 HydrophobicContact CG-CG1 3.71Å; A190-V200 HydrophobicContact CB-CG2 4.34Å; L198-V200 HydrophobicContact CD2-CG2 3.93Å; V200-M208 CarbonylContact O-C 3.52Å; V200-M208 WeakPolarHBondContact O-CA 3.4Å; V200-E209 PolarHBondContact O-N 2.92Å; V200-A210 HydrophobicContact CB-CB 4.17Å; V200-A210 HydrophobicContact CG2-CB 4.3Å; V200-A210 PolarHBondContact N-O 3.02Å; V200-A210 PolarHBondContact O-N 3.07Å; V200-L237 HydrophobicContact CG2-CD2 4.36Å; V200-W258 HydrophobicContact CB-CH2 4.3Å; V200-W258 HydrophobicContact CB-CZ2 4.45Å; V200-W258 HydrophobicContact CB-CZ3 4.49Å; V200-W258 HydrophobicContact CG1-CH2 3.65Å; V200-W258 HydrophobicContact CG1-CZ2 3.95Å; V200-W258 HydrophobicContact CG1-CZ3 4.19Å; V200-W258 HydrophobicContact CG2-CE3 4.04Å; V200-W258 HydrophobicContact CG2-CH2 4.14Å; V200-W258 HydrophobicContact CG2-CZ3 3.83Å |
| 201 | W | 98.3 | Very high | 95.9 | Very high | 10 Ų | 10 | 37.8 Ų | 37.8 | 4% | 0.038 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.2 | 133.7 | -175.4 | -43 | 81 | 0 | 0 | 0 | 109.4 | I155 L170 Y188 I189 S191 K199 Q207 M208 | I155-W201 HydrophobicContact CD1-CZ2 4.17Å; L170-W201 HydrophobicContact CB-CD2 4.27Å; L170-W201 HydrophobicContact CB-CE3 4.09Å; L170-W201 HydrophobicContact CB-CH2 4.23Å; L170-W201 HydrophobicContact CB-CZ2 4.39Å; L170-W201 HydrophobicContact CB-CZ3 4.07Å; L170-W201 HydrophobicContact CD1-CB 4.07Å; L170-W201 HydrophobicContact CD1-CD2 3.87Å; L170-W201 HydrophobicContact CD1-CE3 4.3Å; L170-W201 HydrophobicContact CD1-CG 3.75Å; Y188-W201 CarbonylContact C-O 3.6Å; Y188-W201 VanDerWaalsContact CA-O 3.25Å; Y188-W201 WeakPolarHBondContact CA-O 3.23Å; I189-W201 HydrophobicContact CG2-CB 3.84Å; I189-W201 HydrophobicContact CG2-CG 4.32Å; I189-W201 PolarHBondContact N-O 3.17Å; I189-W201 PolarHBondContact O-N 3.26Å; S191-W201 PolarHBondContact OG-NE1 3.46Å; K199-W201 HydrophobicContact CB-CZ2 3.98Å; K199-W201 HydrophobicContact CD-CH2 4.12Å; K199-W201 HydrophobicContact CD-CZ2 3.62Å; K199-W201 HydrophobicContact CG-CZ2 4.45Å; W201-Q207 CarbonylContact C-O 3.48Å; W201-Q207 VanDerWaalsContact CA-O 3.29Å; W201-Q207 WeakPolarHBondContact CA-O 3.41Å; W201-M208 HydrophobicContact CD2-CB 4.47Å; W201-M208 HydrophobicContact CE3-CB 3.82Å; W201-M208 HydrophobicContact CE3-CG 4.46Å; W201-M208 HydrophobicContact CZ3-CB 3.91Å |
| 202 | R | 95.4 | Very high | 95.8 | Very high | 74 Ų | 74 | 38.5 Ų | 38.5 | 28% | 0.279 | 19% | 0.191 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -69.6 | 139.3 | 173.9 | -72 | -166.5 | -65 | -111.5 | 11.1 | 110.3 | Y188 V204 D205 W206 Q207 E209 | Y188-R202 HydrophobicContact CD1-CG 4.24Å; Y188-R202 HydrophobicContact CE1-CG 3.9Å; R202-V204 VanDerWaalsContact C-N 3.35Å; R202-V204 HydrophobicContact CB-CG2 4.15Å; R202-D205 WeakPolarHBondContact CB-OD1 3.46Å; R202-D205 IonicContact CZ-OD1 3.57Å; R202-D205 IonicContact CZ-OD2 3.99Å; R202-D205 IonicContact NE-OD1 2.73Å; R202-D205 PolarHBondContact NE-OD1 3.08Å; R202-D205 IonicContact NE-OD2 3.16Å; R202-D205 PolarHBondContact NE-OD2 2.89Å; R202-D205 IonicContact NH2-OD1 3.51Å; R202-D205 IonicContact NH2-OD2 3.02Å; R202-D205 PolarHBondContact NH2-OD2 3.25Å; R202-W206 WeakPolarHBondContact O-CA 3.47Å; R202-W206 PolarHBondContact O-N 3.02Å; R202-W206 VanDerWaalsContact O-N 3.08Å; R202-Q207 PolarHBondContact N-O 3Å; R202-E209 VanDerWaalsContact CD-OE2 3.3Å; R202-E209 WeakPolarHBondContact CD-OE2 3.38Å; R202-E209 HydrophobicContact CG-CB 4.19Å; R202-E209 WeakPolarHBondContact CG-OE2 3.21Å; R202-E209 IonicContact CZ-OE2 2.96Å; R202-E209 IonicContact NE-OE2 2.98Å; R202-E209 IonicContact NH1-OE2 3.21Å; R202-E209 PolarHBondContact NH1-OE2 3.12Å |
| 203 | T | 92.1 | Very high | 95.8 | Very high | 2 Ų | 2 | 40.9 Ų | 40.9 | 1% | 0.012 | 21% | 0.206 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -83.3 | -12 | 175.8 | 61.4 | 0 | 0 | 0 | 0 | 113.4 | W145 W182 G186 K187 W206 N399 | W145-T203 HydrophobicContact CZ3-CG2 4.45Å; W182-T203 HydrophobicContact CE3-CG2 4.11Å; W182-T203 HydrophobicContact CZ3-CG2 3.68Å; G186-T203 WeakPolarHBondContact O-CB 3.4Å; G186-T203 VanDerWaalsContact O-CG2 3.27Å; G186-T203 WeakPolarHBondContact O-CG2 3.47Å; G186-T203 PolarHBondContact O-OG1 2.97Å; K187-T203 PolarHBondContact O-N 3.47Å; K187-T203 PolarHBondContact O-OG1 3.15Å; T203-W206 HydrophobicContact CG2-CH2 4.06Å; T203-W206 HydrophobicContact CG2-CZ3 3.99Å; T203-W206 WeakPolarHBondContact O-CZ2 3.26Å; T203-N399 WeakPolarHBondContact CB-ND2 3.46Å; T203-N399 PolarHBondContact O-ND2 2.86Å; T203-N399 PolarHBondContact OG1-ND2 3.48Å |
| 204 | V | 89.1 | Confident | 95.7 | Very high | 82 Ų | 82 | 48.4 Ų | 48.4 | 50% | 0.497 | 24% | 0.238 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -83.9 | -28.2 | -176.2 | -66.8 | 0 | 0 | 0 | 0 | 114 | R202 N399 | R202-V204 VanDerWaalsContact C-N 3.35Å; R202-V204 HydrophobicContact CB-CG2 4.15Å; V204-N399 HydrophobicContact CG1-CB 4.34Å; V204-N399 PolarHBondContact N-ND2 2.85Å |
| 205 | D | 88.4 | Confident | 95.7 | Very high | 64 Ų | 64 | 46.9 Ų | 46.9 | 34% | 0.342 | 23% | 0.231 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -141.8 | 5.3 | -178.1 | 66.8 | -13.9 | 0 | 0 | 0 | 113.2 | R202 Q207 | R202-D205 WeakPolarHBondContact CB-OD1 3.46Å; R202-D205 IonicContact CZ-OD1 3.57Å; R202-D205 IonicContact CZ-OD2 3.99Å; R202-D205 IonicContact NE-OD1 2.73Å; R202-D205 PolarHBondContact NE-OD1 3.08Å; R202-D205 IonicContact NE-OD2 3.16Å; R202-D205 PolarHBondContact NE-OD2 2.89Å; R202-D205 IonicContact NH2-OD1 3.51Å; R202-D205 IonicContact NH2-OD2 3.02Å; R202-D205 PolarHBondContact NH2-OD2 3.25Å; D205-Q207 HydrophobicContact CB-CG 4.27Å; D205-Q207 PolarHBondContact O-N 3.04Å; D205-Q207 PolarHBondContact O-NE2 2.96Å; D205-Q207 PolarHBondContact OD1-N 3.37Å; D205-Q207 WeakPolarHBondContact OD2-CG 3.42Å |
| 206 | W | 94.8 | Very high | 95.7 | Very high | 35 Ų | 35 | 45.7 Ų | 45.7 | 13% | 0.133 | 22% | 0.224 | C | C | . | . | trans | 57.3 | 19.4 | 178.5 | -56.8 | 110 | 0 | 0 | 0 | 115.1 | W145 I157 V167 T168 L170 W182 I189 R202 T203 | W145-W206 HydrophobicContact CD2-CH2 4.13Å; W145-W206 HydrophobicContact CD2-CZ2 4.15Å; W145-W206 AromaticContact CE2-CZ2 3.99Å; W145-W206 AromaticContact CE3-CH2 3.87Å; W145-W206 HydrophobicContact CE3-CH2 3.87Å; W145-W206 HydrophobicContact CE3-CZ2 4.19Å; W145-W206 HydrophobicContact CH2-CH2 4.27Å; W145-W206 AromaticContact CH2-CZ2 3.94Å; W145-W206 HydrophobicContact CH2-CZ2 3.94Å; W145-W206 AromaticContact CZ2-CZ2 3.9Å; W145-W206 HydrophobicContact CZ2-CZ2 3.9Å; W145-W206 AromaticContact CZ3-CH2 3.93Å; W145-W206 HydrophobicContact CZ3-CH2 3.93Å; W145-W206 HydrophobicContact CZ3-CZ2 4.08Å; I157-W206 HydrophobicContact CD1-CZ3 4.1Å; I157-W206 HydrophobicContact CG1-CE3 4.05Å; I157-W206 HydrophobicContact CG1-CH2 4.25Å; I157-W206 HydrophobicContact CG1-CZ3 3.84Å; I157-W206 HydrophobicContact CG2-CH2 3.8Å; I157-W206 HydrophobicContact CG2-CZ2 4.06Å; I157-W206 HydrophobicContact CG2-CZ3 4.26Å; V167-W206 HydrophobicContact CG1-CZ2 4.26Å; T168-W206 HydrophobicContact CG2-CB 3.94Å; T168-W206 HydrophobicContact CG2-CD2 3.64Å; T168-W206 HydrophobicContact CG2-CE3 4.12Å; T168-W206 HydrophobicContact CG2-CG 3.52Å; L170-W206 HydrophobicContact CD2-CB 3.79Å; L170-W206 HydrophobicContact CD2-CE3 4.14Å; L170-W206 HydrophobicContact CD2-CG 4.41Å; W182-W206 AromaticContact CH2-CH2 3.9Å; W182-W206 HydrophobicContact CH2-CH2 3.9Å; W182-W206 HydrophobicContact CH2-CZ3 4.23Å; W182-W206 AromaticContact CZ3-CH2 4Å; W182-W206 HydrophobicContact CZ3-CH2 4Å; W182-W206 HydrophobicContact CZ3-CZ3 4.24Å; I189-W206 HydrophobicContact CG2-CZ3 4.32Å; R202-W206 WeakPolarHBondContact O-CA 3.47Å; R202-W206 PolarHBondContact O-N 3.02Å; R202-W206 VanDerWaalsContact O-N 3.08Å; T203-W206 HydrophobicContact CG2-CH2 4.06Å; T203-W206 HydrophobicContact CG2-CZ3 3.99Å; T203-W206 WeakPolarHBondContact O-CZ2 3.26Å | ||
| 207 | Q | 95.4 | Very high | 95.5 | Very high | 108 Ų | 108 | 46.9 Ų | 46.9 | 51% | 0.505 | 23% | 0.233 | S | C | . | . | trans | -84.3 | 151.6 | 177.1 | -59.9 | -50.1 | -61.5 | 0 | 0 | 112.1 | W201 R202 D205 E209 | W201-Q207 CarbonylContact C-O 3.48Å; W201-Q207 VanDerWaalsContact CA-O 3.29Å; W201-Q207 WeakPolarHBondContact CA-O 3.41Å; R202-Q207 PolarHBondContact N-O 3Å; D205-Q207 HydrophobicContact CB-CG 4.27Å; D205-Q207 PolarHBondContact O-N 3.04Å; D205-Q207 PolarHBondContact O-NE2 2.96Å; D205-Q207 PolarHBondContact OD1-N 3.37Å; D205-Q207 WeakPolarHBondContact OD2-CG 3.42Å; Q207-E209 PolarHBondContact O-N 3.49Å | ||
| 208 | M | 97.8 | Very high | 95.1 | Very high | 86 Ų | 86 | 52.6 Ų | 52.6 | 42% | 0.424 | 26% | 0.26 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.7 | 116.5 | 172.8 | -172.4 | -178.9 | 67.3 | 0 | 0 | 110.1 | K199 V200 W201 A210 N211 | K199-M208 HydrophobicContact CB-SD 4.48Å; K199-M208 HydrophobicContact CD-SD 3.87Å; K199-M208 HydrophobicContact CG-SD 4.03Å; V200-M208 CarbonylContact O-C 3.52Å; V200-M208 WeakPolarHBondContact O-CA 3.4Å; W201-M208 HydrophobicContact CD2-CB 4.47Å; W201-M208 HydrophobicContact CE3-CB 3.82Å; W201-M208 HydrophobicContact CE3-CG 4.46Å; W201-M208 HydrophobicContact CZ3-CB 3.91Å; M208-A210 WeakPolarHBondContact CG-O 3.39Å; M208-N211 HydrophobicContact CE-CB 4.03Å; M208-N211 HydrophobicContact SD-CB 3.91Å |
| 209 | E | 96.9 | Very high | 94.6 | Very high | 67 Ų | 67 | 53.4 Ų | 53.4 | 31% | 0.313 | 27% | 0.265 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.4 | -43.5 | 174.3 | -174.9 | 82.2 | 152.5 | 0 | 0 | 111.2 | Y188 V200 R202 Q207 W258 | Y188-E209 HydrophobicContact CD1-CB 4.39Å; Y188-E209 HydrophobicContact CD1-CG 4.49Å; Y188-E209 HydrophobicContact CE1-CB 3.95Å; Y188-E209 HydrophobicContact CE1-CG 3.63Å; Y188-E209 PolarHBondContact OH-OE1 2.84Å; V200-E209 PolarHBondContact O-N 2.92Å; R202-E209 VanDerWaalsContact CD-OE2 3.3Å; R202-E209 WeakPolarHBondContact CD-OE2 3.38Å; R202-E209 HydrophobicContact CG-CB 4.19Å; R202-E209 WeakPolarHBondContact CG-OE2 3.21Å; R202-E209 IonicContact CZ-OE2 2.96Å; R202-E209 IonicContact NE-OE2 2.98Å; R202-E209 IonicContact NH1-OE2 3.21Å; R202-E209 PolarHBondContact NH1-OE2 3.12Å; Q207-E209 PolarHBondContact O-N 3.49Å; E209-W258 HydrophobicContact CG-CZ2 4.07Å |
| 210 | A | 97.8 | Very high | 93.2 | Very high | 13 Ų | 13 | 56 Ų | 56 | 11% | 0.107 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.2 | 148.6 | -172.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | K199 V200 M208 W258 | K199-A210 WeakPolarHBondContact CA-O 3.46Å; V200-A210 HydrophobicContact CB-CB 4.17Å; V200-A210 HydrophobicContact CG2-CB 4.3Å; V200-A210 PolarHBondContact N-O 3.02Å; V200-A210 PolarHBondContact O-N 3.07Å; M208-A210 WeakPolarHBondContact CG-O 3.39Å; A210-W258 HydrophobicContact CB-CB 4.33Å; A210-W258 HydrophobicContact CB-CD2 3.97Å; A210-W258 HydrophobicContact CB-CG 3.67Å |
| 211 | N | 97.9 | Very high | 91.7 | Very high | 77 Ų | 77 | 59.2 Ų | 59.2 | 41% | 0.412 | 33% | 0.329 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.7 | 99.4 | 176.8 | -177.9 | 53.4 | 0 | 0 | 0 | 109 | K199 M208 | K199-N211 PolarHBondContact NZ-OD1 3.1Å; M208-N211 HydrophobicContact CE-CB 4.03Å; M208-N211 HydrophobicContact SD-CB 3.91Å |
| 212 | I | 98 | Very high | 90.3 | Very high | 14 Ų | 14 | 63 Ų | 63 | 7% | 0.072 | 35% | 0.353 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.2 | 115.1 | -173.3 | -62.3 | 155.5 | 0 | 0 | 0 | 108.5 | S197 L198 P215 F216 V253 W258 T260 | S197-I212 WeakPolarHBondContact CA-O 3.48Å; L198-I212 HydrophobicContact CB-CB 4.46Å; L198-I212 HydrophobicContact CD2-CD1 3.93Å; L198-I212 PolarHBondContact N-O 3.09Å; L198-I212 PolarHBondContact O-N 2.77Å; I212-P215 HydrophobicContact CG2-CG 4.16Å; I212-F216 HydrophobicContact CG2-CE2 4.02Å; I212-F216 WeakPolarHBondContact O-CD2 3.14Å; I212-F216 VanDerWaalsContact O-CE2 3.26Å; I212-F216 WeakPolarHBondContact O-CE2 3.29Å; I212-V253 HydrophobicContact CD1-CG1 3.67Å; I212-V253 HydrophobicContact CD1-CG2 4.33Å; I212-W258 HydrophobicContact CD1-CB 4.2Å; I212-W258 HydrophobicContact CG1-CB 4.45Å; I212-T260 HydrophobicContact CG2-CG2 3.59Å |
| 213 | T | 96.8 | Very high | 89.8 | Confident | 56 Ų | 56 | 59.9 Ų | 59.9 | 34% | 0.344 | 34% | 0.342 | S | S | . | . | trans | -118.2 | -36.1 | -178.3 | 53.8 | 0 | 0 | 0 | 0 | 113.8 | H196 P215 F216 N217 | H196-T213 WeakPolarHBondContact O-CA 3.32Å; T213-P215 WeakPolarHBondContact O-CD 3.19Å; T213-F216 WeakPolarHBondContact O-CB 3.43Å; T213-F216 PolarHBondContact O-N 2.62Å; T213-N217 PolarHBondContact O-N 3.3Å; T213-N217 PolarHBondContact O-OD1 2.9Å | ||
| 214 | K | 94.6 | Very high | 89.6 | Confident | 161 Ų | 161 | 62.7 Ų | 62.7 | 70% | 0.7 | 36% | 0.355 | S | S | * | . | G | 310 helix | trans | -44.1 | -44.7 | -172.7 | -177.2 | -172.3 | 174.4 | -167.1 | 0 | 115.5 | F216 | K214-F216 PolarHBondContact O-N 2.86Š|
| 215 | P | 94.8 | Very high | 89.8 | Confident | 8 Ų | 8 | 58.8 Ų | 58.8 | 5% | 0.052 | 33% | 0.332 | C | S | . | . | G | 310 helix | trans | -70.9 | -13.2 | 180 | -19 | 34.4 | 0 | 0 | 0 | 115.1 | I212 T213 A242 M243 Q251 T260 | I212-P215 HydrophobicContact CG2-CG 4.16Å; T213-P215 WeakPolarHBondContact O-CD 3.19Å; P215-A242 HydrophobicContact CB-CB 3.88Å; P215-M243 PolarHBondContact O-N 2.8Å; P215-Q251 HydrophobicContact CB-CB 4.11Å; P215-Q251 HydrophobicContact CB-CG 3.9Å; P215-Q251 HydrophobicContact CG-CB 4.48Å; P215-Q251 HydrophobicContact CG-CG 3.75Å; P215-T260 HydrophobicContact CG-CG2 3.77Å |
| 216 | F | 94.6 | Very high | 90.2 | Very high | 3 Ų | 3 | 56.1 Ų | 56.1 | 1% | 0.013 | 32% | 0.317 | C | S | . | . | G | 310 helix | trans | -111 | -10.1 | -169.1 | -46.3 | -59.4 | 0 | 0 | 0 | 112.9 | Q192 H196 L198 I212 T213 K214 E218 C219 H241 A242 | Q192-F216 VanDerWaalsContact NE2-CE1 3.26Å; H196-F216 HydrophobicContact CB-CB 3.97Å; H196-F216 PolarHBondContact ND1-O 2.94Å; H196-F216 WeakPolarHBondContact O-CB 3.32Å; L198-F216 HydrophobicContact CB-CE2 3.61Å; L198-F216 HydrophobicContact CB-CZ 3.83Å; L198-F216 HydrophobicContact CD1-CZ 4.46Å; I212-F216 HydrophobicContact CG2-CE2 4.02Å; I212-F216 WeakPolarHBondContact O-CD2 3.14Å; I212-F216 VanDerWaalsContact O-CE2 3.26Å; I212-F216 WeakPolarHBondContact O-CE2 3.29Å; T213-F216 WeakPolarHBondContact O-CB 3.43Å; T213-F216 PolarHBondContact O-N 2.62Å; K214-F216 PolarHBondContact O-N 2.86Å; F216-E218 PolarHBondContact O-N 2.85Å; F216-E218 VanDerWaalsContact O-N 3.13Å; F216-C219 WeakPolarHBondContact O-CB 3.29Å; F216-C219 PolarHBondContact O-N 3.29Å; F216-H241 WeakPolarHBondContact CD1-O 3.47Å; F216-H241 WeakPolarHBondContact CE1-O 3.25Å; F216-A242 HydrophobicContact CD1-CB 4.03Å; F216-A242 HydrophobicContact CE1-CB 3.85Å |
| 217 | N | 90.9 | Very high | 90.3 | Very high | 109 Ų | 109 | 54.5 Ų | 54.5 | 58% | 0.583 | 31% | 0.311 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.6 | -29.8 | 180 | -70.6 | -8.2 | 0 | 0 | 0 | 113.9 | T213 | T213-N217 PolarHBondContact O-N 3.3Å; T213-N217 PolarHBondContact O-OD1 2.9Å |
| 218 | E | 88.2 | Confident | 90.4 | Very high | 122 Ų | 122 | 49.4 Ų | 49.4 | 57% | 0.57 | 29% | 0.287 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -99.6 | 1.3 | -179.4 | -66.1 | 178.4 | -172.3 | 0 | 0 | 113.3 | F216 G220 M243 | F216-E218 PolarHBondContact O-N 2.85Å; F216-E218 VanDerWaalsContact O-N 3.13Å; E218-G220 PolarHBondContact O-N 3.34Å; E218-G220 VanDerWaalsContact O-N 3.16Å; E218-M243 HydrophobicContact CB-CB 3.82Å; E218-M243 HydrophobicContact CB-CG 4.23Å |
| 219 | C | 87.7 | Confident | 90.5 | Very high | 17 Ų | 17 | 45.9 Ų | 45.9 | 12% | 0.115 | 27% | 0.271 | C | S | . | . | trans | -65.7 | 114.3 | -177.7 | -72.8 | 0 | 0 | 0 | 0 | 111.6 | H196 F216 M243 | H196-C219 PolarHBondContact CE1-O 3.27Å; H196-C219 VanDerWaalsContact CE1-O 3.28Å; F216-C219 WeakPolarHBondContact O-CB 3.29Å; F216-C219 PolarHBondContact O-N 3.29Å; C219-M243 HydrophobicContact CB-CG 4.31Å | ||
| 220 | G | 69.6 | Low | 90.5 | Very high | 68 Ų | 68 | 43.2 Ų | 43.2 | 70% | 0.701 | 26% | 0.258 | S | S | * | . | trans | -92.4 | 112.6 | 179.8 | 0 | 0 | 0 | 0 | 0 | 113.6 | E218 | E218-G220 PolarHBondContact O-N 3.34Å; E218-G220 VanDerWaalsContact O-N 3.16Å | ||
| 221 | G | 66.1 | Low | 90.5 | Very high | 67 Ų | 67 | 42.6 Ų | 42.6 | 69% | 0.691 | 25% | 0.253 | S | S | * | . | S | Bend | trans | 77.9 | 176.6 | 173.5 | 0 | 0 | 0 | 0 | 0 | 114.5 | ||
| 222 | T | 68.7 | Low | 90.3 | Very high | 90 Ų | 90 | 39.5 Ų | 39.5 | 55% | 0.552 | 24% | 0.237 | S | C | * | . | trans | -99.5 | 144.3 | -169.3 | 56.7 | 0 | 0 | 0 | 0 | 113.7 | D194 K305 | D194-T222 VanDerWaalsContact OD2-CG2 3.3Å; D194-T222 WeakPolarHBondContact OD2-CG2 3.37Å; T222-K305 PolarHBondContact O-NZ 3.12Å | ||
| 223 | T | 84.8 | Confident | 90 | Very high | 8 Ų | 8 | 39.5 Ų | 39.5 | 5% | 0.049 | 24% | 0.238 | C | C | . | . | trans | -91.8 | 166.3 | 158.7 | 58.9 | 0 | 0 | 0 | 0 | 109.5 | K178 V225 L226 A270 T272 | K178-T223 PolarHBondContact NZ-O 3.2Å; T223-V225 VanDerWaalsContact CB-O 3.31Å; T223-V225 WeakPolarHBondContact CB-O 3.43Å; T223-V225 PolarHBondContact OG1-O 3.06Å; T223-L226 HydrophobicContact CG2-CD2 4.42Å; T223-L226 WeakPolarHBondContact OG1-CD2 3.47Å; T223-L226 WeakPolarHBondContact OG1-CG 3.1Å; T223-A270 HydrophobicContact CG2-CB 3.71Å; T223-T272 HydrophobicContact CG2-CG2 4.35Å | ||
| 224 | H | 88 | Confident | 89.8 | Confident | 62 Ų | 62 | 36.9 Ų | 36.9 | 29% | 0.287 | 22% | 0.221 | S | C | . | . | S | Bend | trans | -80.9 | -36 | 172 | 180 | 71.1 | 0 | 0 | 0 | 111.3 | F17 M135 M332 | F17-H224 AromaticContact CD1-CD2 3.97Å; F17-H224 AromaticContact CD1-NE2 3.8Å; F17-H224 AromaticContact CE1-NE2 3.93Å; M135-H224 WeakPolarHBondContact CE-O 3.35Å; H224-M332 HydrophobicContact CB-CE 4.22Å |
| 225 | V | 94.9 | Very high | 89.7 | Confident | 0 Ų | 0 | 32.7 Ų | 32.7 | 0% | 0 | 20% | 0.204 | C | C | . | . | trans | -130.5 | 159.1 | 175.8 | -61.6 | 0 | 0 | 0 | 0 | 111.2 | T223 R227 M332 | T223-V225 VanDerWaalsContact CB-O 3.31Å; T223-V225 WeakPolarHBondContact CB-O 3.43Å; T223-V225 PolarHBondContact OG1-O 3.06Å; V225-R227 HydrophobicContact CB-CG 4.19Å; V225-R227 HydrophobicContact CG2-CG 4.11Å; V225-M332 HydrophobicContact CG1-CE 4.15Å; V225-M332 HydrophobicContact CG2-CE 3.73Å | ||
| 226 | L | 96.3 | Very high | 89.8 | Confident | 8 Ų | 8 | 35.4 Ų | 35.4 | 4% | 0.042 | 21% | 0.214 | C | C | . | . | trans | -133.4 | 58.3 | 174.9 | -69.4 | 172.8 | 0 | 0 | 0 | 109.9 | K178 G179 Q192 T223 L228 A240 H241 | K178-L226 HydrophobicContact CB-CB 3.95Å; K178-L226 HydrophobicContact CB-CD1 4.15Å; K178-L226 HydrophobicContact CB-CG 4.05Å; K178-L226 HydrophobicContact CD-CD1 4.45Å; K178-L226 PolarHBondContact O-N 3.02Å; G179-L226 VanDerWaalsContact CA-O 3.3Å; G179-L226 WeakPolarHBondContact CA-O 3.38Å; Q192-L226 HydrophobicContact CB-CB 4.18Å; Q192-L226 HydrophobicContact CB-CD1 4.44Å; Q192-L226 HydrophobicContact CG-CB 4.4Å; Q192-L226 HydrophobicContact CG-CD1 4.04Å; T223-L226 HydrophobicContact CG2-CD2 4.42Å; T223-L226 WeakPolarHBondContact OG1-CD2 3.47Å; T223-L226 WeakPolarHBondContact OG1-CG 3.1Å; L226-L228 WeakPolarHBondContact O-CD2 3.36Å; L226-L228 PolarHBondContact O-N 3.31Å; L226-A240 VanDerWaalsContact CA-CB 3.45Å; L226-A240 HydrophobicContact CB-CB 4.03Å; L226-A240 HydrophobicContact CD2-CB 4.16Å; L226-H241 HydrophobicContact CD2-CB 3.88Å | ||
| 227 | R | 97.1 | Very high | 89.9 | Confident | 1 Ų | 1 | 35.3 Ų | 35.3 | 0% | 0.004 | 21% | 0.213 | C | C | . | . | B | Isolated β-bridge | trans | -68.9 | 89.5 | -174.8 | -59.6 | -77.8 | -179.7 | -102.8 | -3.1 | 111.4 | N74 M135 D136 K178 V225 T272 V273 V274 | N74-R227 PolarHBondContact O-NH2 2.91Å; M135-R227 VanDerWaalsContact O-CZ 3.22Å; M135-R227 PolarHBondContact O-NH1 2.97Å; M135-R227 PolarHBondContact O-NH2 2.91Å; D136-R227 VanDerWaalsContact CB-NH1 3.28Å; D136-R227 IonicContact OD1-CZ 3.9Å; D136-R227 IonicContact OD1-NE 3.63Å; D136-R227 IonicContact OD1-NH1 2.64Å; D136-R227 PolarHBondContact OD1-NH1 2.87Å; D136-R227 WeakPolarHBondContact OD2-CD 3.4Å; D136-R227 IonicContact OD2-CZ 2.66Å; D136-R227 IonicContact OD2-NE 3.87Å; D136-R227 IonicContact OD2-NH1 3.48Å; D136-R227 PolarHBondContact OD2-NH1 3.1Å; K178-R227 PolarHBondContact O-NH1 2.94Å; V225-R227 HydrophobicContact CB-CG 4.19Å; V225-R227 HydrophobicContact CG2-CG 4.11Å; R227-T272 PolarHBondContact N-O 2.9Å; R227-T272 VanDerWaalsContact N-O 3.14Å; R227-V273 HydrophobicContact CB-CB 3.81Å; R227-V273 HydrophobicContact CB-CG2 3.69Å; R227-V273 HydrophobicContact CG-CB 4.27Å; R227-V273 HydrophobicContact CG-CG2 4.29Å; R227-V274 PolarHBondContact O-N 2.78Å |
| 228 | L | 97.9 | Very high | 90.3 | Very high | 1 Ų | 1 | 30.1 Ų | 30.1 | 1% | 0.005 | 19% | 0.186 | C | C | . | . | trans | -81.2 | 163.2 | 173 | 71 | 167.2 | 0 | 0 | 0 | 112.4 | T181 A190 Q192 L198 L226 L237 V238 | T181-L228 HydrophobicContact CG2-CD1 3.88Å; T181-L228 HydrophobicContact CG2-CD2 4.4Å; T181-L228 HydrophobicContact CG2-CG 3.6Å; A190-L228 HydrophobicContact CB-CD1 4.1Å; Q192-L228 HydrophobicContact CB-CD1 4.3Å; Q192-L228 HydrophobicContact CB-CD2 4.2Å; L198-L228 HydrophobicContact CD1-CD1 3.69Å; L198-L228 HydrophobicContact CG-CD1 4.09Å; L226-L228 WeakPolarHBondContact O-CD2 3.36Å; L226-L228 PolarHBondContact O-N 3.31Å; L228-L237 HydrophobicContact CD1-CD1 4.15Å; L228-V238 WeakPolarHBondContact CA-O 3.36Å; L228-V238 WeakPolarHBondContact CB-O 3.31Å | ||
| 229 | S | 98.3 | Very high | 90.7 | Very high | 12 Ų | 12 | 24.3 Ų | 24.3 | 8% | 0.084 | 16% | 0.159 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -149 | 136.6 | 179.9 | -173.2 | 0 | 0 | 0 | 0 | 113.3 | V238 V274 F276 | S229-V238 PolarHBondContact N-O 2.88Å; S229-V238 PolarHBondContact O-N 3.01Å; S229-V274 VanDerWaalsContact CB-O 3.25Å; S229-V274 WeakPolarHBondContact CB-O 3.39Å; S229-F276 WeakPolarHBondContact O-CE2 3.48Å; S229-F276 PolarHBondContact OG-N 3.31Å |
| 230 | W | 97.9 | Very high | 90.9 | Very high | 10 Ų | 10 | 23.5 Ų | 23.5 | 4% | 0.038 | 15% | 0.153 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -70.2 | 153.8 | 158.8 | -75.8 | 96.3 | 0 | 0 | 0 | 111.8 | T181 D183 Y188 G234 L237 R255 W258 F276 | T181-W230 HydrophobicContact CG2-CG 4.48Å; T181-W230 PolarHBondContact OG1-N 3.28Å; D183-W230 HydrophobicContact CB-CD2 4.39Å; D183-W230 HydrophobicContact CB-CZ2 4.38Å; D183-W230 VanDerWaalsContact N-CD1 3.31Å; Y188-W230 HydrophobicContact CD2-CH2 4.45Å; Y188-W230 HydrophobicContact CD2-CZ2 4.43Å; W230-G234 WeakPolarHBondContact CZ3-O 3.43Å; W230-L237 HydrophobicContact CD2-CB 3.97Å; W230-L237 HydrophobicContact CD2-CD1 4.13Å; W230-L237 HydrophobicContact CE3-CB 3.92Å; W230-L237 HydrophobicContact CG-CD1 4.04Å; W230-L237 HydrophobicContact CH2-CB 4.18Å; W230-L237 HydrophobicContact CZ2-CB 4.22Å; W230-L237 HydrophobicContact CZ2-CD2 4.07Å; W230-L237 HydrophobicContact CZ3-CB 4.02Å; W230-R255 HydrophobicContact CH2-CB 4.44Å; W230-R255 HydrophobicContact CH2-CG 4.16Å; W230-R255 HydrophobicContact CZ3-CB 4.17Å; W230-R255 HydrophobicContact CZ3-CG 4.18Å; W230-W258 AromaticContact CH2-CH2 3.75Å; W230-W258 HydrophobicContact CH2-CH2 3.75Å; W230-W258 AromaticContact CH2-CZ3 3.66Å; W230-W258 HydrophobicContact CH2-CZ3 3.66Å; W230-W258 HydrophobicContact CZ2-CH2 4.15Å; W230-W258 HydrophobicContact CZ2-CZ3 4.13Å; W230-F276 WeakPolarHBondContact O-CB 3.36Å; W230-F276 WeakPolarHBondContact O-CD2 3.41Å; W230-F276 WeakPolarHBondContact O-CG 3.38Å |
| 231 | S | 96.6 | Very high | 92.2 | Very high | 1 Ų | 1 | 20.9 Ų | 20.9 | 1% | 0.007 | 12% | 0.123 | C | C | . | . | trans | -78.1 | 149.8 | 166.5 | 47 | 0 | 0 | 0 | 0 | 111.5 | P184 D233 G234 Y236 | P184-S231 WeakPolarHBondContact CG-O 3.42Å; S231-D233 WeakPolarHBondContact CB-OD1 3.33Å; S231-D233 PolarHBondContact O-N 3.2Å; S231-D233 PolarHBondContact OG-OD1 2.84Å; S231-G234 PolarHBondContact O-N 2.9Å; S231-Y236 WeakPolarHBondContact CB-O 3.2Å; S231-Y236 PolarHBondContact N-O 2.87Å; S231-Y236 WeakPolarHBondContact OG-CA 3.12Å; S231-Y236 PolarHBondContact OG-N 3.41Å; S231-Y236 PolarHBondContact OG-O 2.9Å | ||
| 232 | P | 94.3 | Very high | 93.5 | Very high | 12 Ų | 12 | 17.7 Ų | 17.7 | 8% | 0.078 | 9% | 0.09 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -71.1 | -15.9 | -177.5 | 31.1 | -39.7 | 0 | 0 | 0 | 114 | N277 I280 C298 H375 | P232-N277 VanDerWaalsContact CG-O 3.29Å; P232-N277 WeakPolarHBondContact CG-O 3.4Å; P232-I280 HydrophobicContact CB-CG1 4.15Å; P232-I280 HydrophobicContact CG-CG1 3.82Å; P232-C298 HydrophobicContact CG-CB 4.43Å; P232-C298 VanDerWaalsContact CG-SG 3.53Å; P232-H375 PolarHBondContact O-NE2 3.37Å |
| 233 | D | 91.6 | Very high | 94.7 | Very high | 14 Ų | 14 | 15.2 Ų | 15.2 | 8% | 0.075 | 7% | 0.072 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -81.2 | -14 | 169.3 | 60.5 | 29.1 | 0 | 0 | 0 | 113.1 | S231 Q235 I280 C298 Y379 | S231-D233 WeakPolarHBondContact CB-OD1 3.33Å; S231-D233 PolarHBondContact O-N 3.2Å; S231-D233 PolarHBondContact OG-OD1 2.84Å; D233-Q235 VanDerWaalsContact C-N 3.32Å; D233-Q235 WeakPolarHBondContact OD1-CB 3.48Å; D233-Q235 PolarHBondContact OD1-N 2.83Å; D233-I280 HydrophobicContact CB-CD1 3.94Å; D233-C298 VanDerWaalsContact CG-SG 3.58Å; D233-C298 PolarHBondContact OD2-SG 2.79Å; D233-Y379 WeakPolarHBondContact O-CE2 3.39Å; D233-Y379 PolarHBondContact O-OH 2.81Å |
| 234 | G | 92.4 | Very high | 95 | Very high | 0 Ų | 0 | 17.9 Ų | 17.9 | 0% | 0 | 9% | 0.086 | C | C | . | . | S | Bend | trans | 80.8 | -1.5 | -179.6 | 0 | 0 | 0 | 0 | 0 | 115.4 | W230 S231 R255 Y379 | W230-G234 WeakPolarHBondContact CZ3-O 3.43Å; S231-G234 PolarHBondContact O-N 2.9Å; G234-R255 WeakPolarHBondContact O-CD 3.42Å; G234-R255 PolarHBondContact O-NH1 2.76Å; G234-Y379 WeakPolarHBondContact CA-OH 3.47Å; G234-Y379 PolarHBondContact O-OH 2.73Å; G234-Y379 VanDerWaalsContact O-OH 3.1Å |
| 235 | Q | 93.1 | Very high | 95 | Very high | 73 Ų | 73 | 22 Ų | 22 | 34% | 0.341 | 11% | 0.111 | S | C | . | . | S | Bend | trans | -80.5 | -28.8 | -173.1 | -64.2 | -168.5 | -10.9 | 0 | 0 | 113.5 | D233 R255 I378 Y379 | D233-Q235 VanDerWaalsContact C-N 3.32Å; D233-Q235 WeakPolarHBondContact OD1-CB 3.48Å; D233-Q235 PolarHBondContact OD1-N 2.83Å; Q235-R255 WeakPolarHBondContact O-CB 3.31Å; Q235-R255 PolarHBondContact O-N 2.92Å; Q235-I378 HydrophobicContact CG-CD1 4.14Å; Q235-I378 VanDerWaalsContact NE2-CD1 3.26Å; Q235-Y379 PolarHBondContact N-OH 3.12Å |
| 236 | Y | 96 | Very high | 94.4 | Very high | 65 Ų | 65 | 26.7 Ų | 26.7 | 26% | 0.255 | 14% | 0.143 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.8 | 140.4 | -174 | -57 | -79 | 0 | 0 | 0 | 112.7 | S231 I252 V253 E254 | S231-Y236 WeakPolarHBondContact CB-O 3.2Å; S231-Y236 PolarHBondContact N-O 2.87Å; S231-Y236 WeakPolarHBondContact OG-CA 3.12Å; S231-Y236 PolarHBondContact OG-N 3.41Å; S231-Y236 PolarHBondContact OG-O 2.9Å; Y236-I252 HydrophobicContact CD1-CG2 3.68Å; Y236-I252 HydrophobicContact CG-CG2 4.23Å; Y236-V253 WeakPolarHBondContact CA-O 3.29Å; Y236-E254 HydrophobicContact CE1-CG 4.24Å |
| 237 | L | 98.2 | Very high | 94.1 | Very high | 1 Ų | 1 | 27.5 Ų | 27.5 | 1% | 0.005 | 15% | 0.154 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.5 | 131.8 | 168.2 | 170.7 | 61.2 | 0 | 0 | 0 | 108.3 | T181 A190 L198 V200 L228 W230 V253 | T181-L237 HydrophobicContact CG2-CD1 3.55Å; A190-L237 HydrophobicContact CB-CD1 4.24Å; A190-L237 HydrophobicContact CB-CD2 3.46Å; A190-L237 VanDerWaalsContact CB-CD2 3.46Å; L198-L237 HydrophobicContact CD1-CD2 4.25Å; L198-L237 HydrophobicContact CD2-CD2 3.78Å; V200-L237 HydrophobicContact CG2-CD2 4.36Å; L228-L237 HydrophobicContact CD1-CD1 4.15Å; W230-L237 HydrophobicContact CD2-CB 3.97Å; W230-L237 HydrophobicContact CD2-CD1 4.13Å; W230-L237 HydrophobicContact CE3-CB 3.92Å; W230-L237 HydrophobicContact CG-CD1 4.04Å; W230-L237 HydrophobicContact CH2-CB 4.18Å; W230-L237 HydrophobicContact CZ2-CB 4.22Å; W230-L237 HydrophobicContact CZ2-CD2 4.07Å; W230-L237 HydrophobicContact CZ3-CB 4.02Å; L237-V253 HydrophobicContact CB-CB 4.29Å; L237-V253 PolarHBondContact N-O 2.91Å; L237-V253 WeakPolarHBondContact O-CA 3.45Å; L237-V253 WeakPolarHBondContact O-CB 3.39Å; L237-V253 PolarHBondContact O-N 3.1Å |
| 238 | V | 98.4 | Very high | 93.9 | Very high | 0 Ų | 0 | 28.5 Ų | 28.5 | 0% | 0 | 16% | 0.16 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.6 | 123.3 | -179.3 | -174.2 | 0 | 0 | 0 | 0 | 110.7 | L228 S229 A250 Q251 I252 F264 V274 F276 | L228-V238 WeakPolarHBondContact CA-O 3.36Å; L228-V238 WeakPolarHBondContact CB-O 3.31Å; S229-V238 PolarHBondContact N-O 2.88Å; S229-V238 PolarHBondContact O-N 3.01Å; V238-A250 HydrophobicContact CG1-CB 4Å; V238-Q251 WeakPolarHBondContact CA-O 3.41Å; V238-I252 HydrophobicContact CG1-CG1 4.4Å; V238-I252 HydrophobicContact CG2-CB 4.2Å; V238-I252 HydrophobicContact CG2-CG1 3.9Å; V238-I252 HydrophobicContact CG2-CG2 4.06Å; V238-F264 HydrophobicContact CG1-CD2 4.02Å; V238-F264 HydrophobicContact CG1-CE2 4.06Å; V238-F264 HydrophobicContact CG2-CE2 4.15Å; V238-V274 HydrophobicContact CB-CG1 3.87Å; V238-V274 HydrophobicContact CG1-CB 4.42Å; V238-V274 HydrophobicContact CG1-CG1 3.76Å; V238-V274 HydrophobicContact CG1-CG2 4.18Å; V238-F276 HydrophobicContact CB-CE2 3.96Å; V238-F276 HydrophobicContact CB-CZ 4.5Å; V238-F276 HydrophobicContact CG2-CE2 3.48Å; V238-F276 VanDerWaalsContact CG2-CE2 3.48Å; V238-F276 HydrophobicContact CG2-CZ 3.57Å |
| 239 | S | 97.1 | Very high | 93.8 | Very high | 0 Ų | 0 | 28.4 Ų | 28.4 | 0% | 0 | 16% | 0.16 | C | C | . | . | trans | -78.3 | 155.6 | -178.5 | 73.6 | 0 | 0 | 0 | 0 | 112.6 | Q251 V274 | S239-Q251 PolarHBondContact N-O 2.92Å; S239-Q251 WeakPolarHBondContact OG-CB 3.34Å; S239-Q251 PolarHBondContact OG-N 2.99Å; S239-Q251 PolarHBondContact OG-O 3.34Å; S239-V274 WeakPolarHBondContact O-CG2 3.45Å | ||
| 240 | A | 92.6 | Very high | 93.7 | Very high | 0 Ų | 0 | 27.9 Ų | 27.9 | 0% | 0 | 16% | 0.156 | C | C | . | . | S | Bend | trans | -79.3 | -28.7 | -177.3 | 0 | 0 | 0 | 0 | 0 | 114.3 | L226 V271 | L226-A240 VanDerWaalsContact CA-CB 3.45Å; L226-A240 HydrophobicContact CB-CB 4.03Å; L226-A240 HydrophobicContact CD2-CB 4.16Å; A240-V271 CarbonylContact O-C 3.56Å; A240-V271 WeakPolarHBondContact O-CA 3.41Å; A240-V271 WeakPolarHBondContact O-CB 3.13Å; A240-V271 WeakPolarHBondContact O-CG1 3.5Å |
| 241 | H | 95.1 | Very high | 93.7 | Very high | 13 Ų | 13 | 28 Ų | 28 | 6% | 0.06 | 16% | 0.157 | C | C | . | . | trans | -150.6 | 127.4 | 174.4 | -175.2 | 11.6 | 0 | 0 | 0 | 110.4 | Q192 F216 L226 A270 | Q192-H241 PolarHBondContact NE2-O 2.79Å; F216-H241 WeakPolarHBondContact CD1-O 3.47Å; F216-H241 WeakPolarHBondContact CE1-O 3.25Å; L226-H241 HydrophobicContact CD2-CB 3.88Å; H241-A270 VanDerWaalsContact CD2-CB 3.46Å; H241-A270 WeakPolarHBondContact CD2-CB 3.48Å; H241-A270 WeakPolarHBondContact NE2-CB 3.42Å | ||
| 242 | A | 94.8 | Very high | 93.7 | Very high | 0 Ų | 0 | 28.9 Ų | 28.9 | 0% | 0 | 16% | 0.161 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.2 | 178.2 | 167 | 0 | 0 | 0 | 0 | 0 | 110 | P215 F216 T249 Q251 | P215-A242 HydrophobicContact CB-CB 3.88Å; F216-A242 HydrophobicContact CD1-CB 4.03Å; F216-A242 HydrophobicContact CE1-CB 3.85Å; A242-T249 PolarHBondContact N-O 2.74Å; A242-T249 PolarHBondContact O-N 2.66Å; A242-Q251 HydrophobicContact CB-CB 3.57Å |
| 243 | M | 93.1 | Very high | 93.9 | Very high | 38 Ų | 38 | 28.3 Ų | 28.3 | 19% | 0.187 | 16% | 0.158 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.3 | 140.4 | 173.4 | -67.7 | -69.8 | -74 | 0 | 0 | 110.9 | P215 E218 C219 S246 G247 P248 | P215-M243 PolarHBondContact O-N 2.8Å; E218-M243 HydrophobicContact CB-CB 3.82Å; E218-M243 HydrophobicContact CB-CG 4.23Å; C219-M243 HydrophobicContact CB-CG 4.31Å; M243-S246 VanDerWaalsContact CE-O 3.29Å; M243-S246 WeakPolarHBondContact CE-O 3.48Å; M243-G247 WeakPolarHBondContact CA-O 3.21Å; M243-P248 HydrophobicContact SD-CB 4.06Å |
| 244 | N | 91.9 | Very high | 94.2 | Very high | 64 Ų | 64 | 29.5 Ų | 29.5 | 34% | 0.342 | 16% | 0.163 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -145.6 | 123.7 | 176.5 | -174.3 | 5.3 | 0 | 0 | 0 | 109.3 | S246 G247 T249 D263 | N244-S246 VanDerWaalsContact C-N 3.29Å; N244-S246 PolarHBondContact O-N 2.87Å; N244-G247 PolarHBondContact N-O 3.45Å; N244-G247 PolarHBondContact O-N 2.75Å; N244-T249 HydrophobicContact CB-CG2 3.95Å; N244-D263 WeakPolarHBondContact CB-OD2 3.18Å; N244-D263 VanDerWaalsContact ND2-CG 3.34Å; N244-D263 PolarHBondContact ND2-OD1 2.86Å; N244-D263 PolarHBondContact ND2-OD2 2.87Å |
| 245 | N | 86.8 | Confident | 94.2 | Very high | 150 Ų | 150 | 30.2 Ų | 30.2 | 80% | 0.802 | 17% | 0.165 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 49.3 | 45.9 | -173.2 | -57.2 | -73.7 | 0 | 0 | 0 | 113 | G247 | N245-G247 PolarHBondContact O-N 2.94Š|
| 246 | S | 83.1 | Confident | 94.1 | Very high | 98 Ų | 98 | 32.5 Ų | 32.5 | 69% | 0.685 | 18% | 0.18 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 60.6 | 6.9 | -174.1 | -48.5 | 0 | 0 | 0 | 0 | 116.4 | M243 N244 | M243-S246 VanDerWaalsContact CE-O 3.29Å; M243-S246 WeakPolarHBondContact CE-O 3.48Å; N244-S246 VanDerWaalsContact C-N 3.29Å; N244-S246 PolarHBondContact O-N 2.87Å |
| 247 | G | 90.1 | Very high | 94 | Very high | 25 Ų | 25 | 32.3 Ų | 32.3 | 26% | 0.258 | 20% | 0.198 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.3 | 145.4 | 173.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | M243 N244 N245 | M243-G247 WeakPolarHBondContact CA-O 3.21Å; N244-G247 PolarHBondContact N-O 3.45Å; N244-G247 PolarHBondContact O-N 2.75Å; N245-G247 PolarHBondContact O-N 2.94Å |
| 248 | P | 93.4 | Very high | 93.9 | Very high | 21 Ų | 21 | 34.2 Ų | 34.2 | 14% | 0.136 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -78.1 | 128.3 | 176.6 | 31.2 | -32.1 | 0 | 0 | 0 | 111 | M243 | M243-P248 HydrophobicContact SD-CB 4.06Å |
| 249 | T | 95.1 | Very high | 93.8 | Very high | 0 Ų | 0 | 38.5 Ų | 38.5 | 0% | 0 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.6 | 167.8 | -176.8 | 72 | 0 | 0 | 0 | 0 | 111.3 | A242 N244 D263 F264 V265 | A242-T249 PolarHBondContact N-O 2.74Å; A242-T249 PolarHBondContact O-N 2.66Å; N244-T249 HydrophobicContact CB-CG2 3.95Å; T249-D263 WeakPolarHBondContact CB-OD2 3.34Å; T249-D263 VanDerWaalsContact CG2-OD2 3.25Å; T249-D263 WeakPolarHBondContact CG2-OD2 3.43Å; T249-D263 PolarHBondContact OG1-OD2 2.97Å; T249-F264 WeakPolarHBondContact CA-O 3.04Å; T249-F264 WeakPolarHBondContact CB-O 3.32Å; T249-V265 HydrophobicContact CG2-CB 4.26Å; T249-V265 HydrophobicContact CG2-CG1 4.04Å; T249-V265 HydrophobicContact CG2-CG2 3.87Å |
| 250 | A | 96.6 | Very high | 93.8 | Very high | 0 Ų | 0 | 39.8 Ų | 39.8 | 0% | 0 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.9 | 103 | 168.6 | 0 | 0 | 0 | 0 | 0 | 108.8 | V238 I252 D263 F264 V271 V274 V302 | V238-A250 HydrophobicContact CG1-CB 4Å; A250-I252 PolarHBondContact O-N 3.32Å; A250-D263 WeakPolarHBondContact O-CA 3.11Å; A250-F264 HydrophobicContact CB-CB 4.26Å; A250-F264 HydrophobicContact CB-CD2 4.39Å; A250-F264 PolarHBondContact N-O 3.07Å; A250-F264 PolarHBondContact O-N 3.44Å; A250-V271 HydrophobicContact CB-CG1 4.35Å; A250-V274 HydrophobicContact CB-CG2 3.93Å; A250-V302 HydrophobicContact CB-CG1 4.29Å |
| 251 | Q | 97.3 | Very high | 93.9 | Very high | 12 Ų | 12 | 45.1 Ų | 45.1 | 6% | 0.056 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -64.4 | 127.5 | -178.2 | 178.6 | 72.9 | 62.9 | 0 | 0 | 110.9 | P215 V238 S239 A242 V253 T260 M262 | P215-Q251 HydrophobicContact CB-CB 4.11Å; P215-Q251 HydrophobicContact CB-CG 3.9Å; P215-Q251 HydrophobicContact CG-CB 4.48Å; P215-Q251 HydrophobicContact CG-CG 3.75Å; V238-Q251 WeakPolarHBondContact CA-O 3.41Å; S239-Q251 PolarHBondContact N-O 2.92Å; S239-Q251 WeakPolarHBondContact OG-CB 3.34Å; S239-Q251 PolarHBondContact OG-N 2.99Å; S239-Q251 PolarHBondContact OG-O 3.34Å; A242-Q251 HydrophobicContact CB-CB 3.57Å; Q251-V253 HydrophobicContact CG-CG2 4.25Å; Q251-T260 HydrophobicContact CG-CG2 4.36Å; Q251-T260 VanDerWaalsContact NE2-CA 3.34Å; Q251-T260 PolarHBondContact NE2-O 3.49Å; Q251-M262 PolarHBondContact NE2-O 2.83Å |
| 252 | I | 97.7 | Very high | 93.8 | Very high | 21 Ų | 21 | 49.6 Ų | 49.6 | 11% | 0.108 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.2 | 132.2 | 167 | -50.4 | 165.8 | 0 | 0 | 0 | 108 | Y236 V238 A250 M262 F264 | Y236-I252 HydrophobicContact CD1-CG2 3.68Å; Y236-I252 HydrophobicContact CG-CG2 4.23Å; V238-I252 HydrophobicContact CG1-CG1 4.4Å; V238-I252 HydrophobicContact CG2-CB 4.2Å; V238-I252 HydrophobicContact CG2-CG1 3.9Å; V238-I252 HydrophobicContact CG2-CG2 4.06Å; A250-I252 PolarHBondContact O-N 3.32Å; I252-M262 WeakPolarHBondContact CA-O 3.48Å; I252-M262 HydrophobicContact CB-CB 4.29Å; I252-M262 VanDerWaalsContact CB-O 3.22Å; I252-M262 WeakPolarHBondContact CB-O 3.42Å; I252-M262 HydrophobicContact CD1-CB 4.02Å; I252-M262 PolarHBondContact N-O 3.14Å; I252-F264 HydrophobicContact CD1-CD1 4.09Å; I252-F264 HydrophobicContact CD1-CE1 3.8Å; I252-F264 HydrophobicContact CD1-CE2 4.26Å; I252-F264 HydrophobicContact CD1-CG 4.44Å; I252-F264 HydrophobicContact CD1-CZ 3.9Å; I252-F264 HydrophobicContact CG1-CD2 4.37Å; I252-F264 HydrophobicContact CG1-CE2 4.21Å; I252-F264 HydrophobicContact CG1-CZ 4.32Å |
| 253 | V | 98.2 | Very high | 93.8 | Very high | 0 Ų | 0 | 51.2 Ų | 51.2 | 0% | 0 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.5 | 123.5 | 177.9 | -174.5 | 0 | 0 | 0 | 0 | 108.3 | I212 Y236 L237 Q251 W258 K259 T260 | I212-V253 HydrophobicContact CD1-CG1 3.67Å; I212-V253 HydrophobicContact CD1-CG2 4.33Å; Y236-V253 WeakPolarHBondContact CA-O 3.29Å; L237-V253 HydrophobicContact CB-CB 4.29Å; L237-V253 PolarHBondContact N-O 2.91Å; L237-V253 WeakPolarHBondContact O-CA 3.45Å; L237-V253 WeakPolarHBondContact O-CB 3.39Å; L237-V253 PolarHBondContact O-N 3.1Å; Q251-V253 HydrophobicContact CG-CG2 4.25Å; V253-W258 HydrophobicContact CG1-CE3 4.02Å; V253-K259 WeakPolarHBondContact CA-O 3.24Å; V253-T260 HydrophobicContact CG2-CG2 4.42Å |
| 254 | E | 96.4 | Very high | 94 | Very high | 38 Ų | 38 | 50.2 Ų | 50.2 | 18% | 0.178 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.5 | 129.7 | 171.7 | -64.5 | 166.3 | -146.7 | 0 | 0 | 109.6 | Y236 D256 W258 K259 | Y236-E254 HydrophobicContact CE1-CG 4.24Å; E254-D256 PolarHBondContact O-N 2.81Å; E254-W258 WeakPolarHBondContact O-CA 3.18Å; E254-W258 PolarHBondContact O-N 3.27Å; E254-W258 VanDerWaalsContact O-N 3.12Å; E254-K259 HydrophobicContact CB-CB 4.26Å; E254-K259 HydrophobicContact CG-CB 4.43Å; E254-K259 PolarHBondContact N-O 3.07Å; E254-K259 PolarHBondContact O-N 2.99Å; E254-K259 WeakPolarHBondContact OE2-CD 3.01Å; E254-K259 IonicContact OE2-NZ 3.77Å; E254-K259 PolarHBondContact OE2-NZ 2.84Å |
| 255 | R | 94.4 | Very high | 94 | Very high | 15 Ų | 15 | 50.9 Ų | 50.9 | 6% | 0.057 | 29% | 0.292 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -53.7 | -43.6 | 174.1 | -170.8 | -164.3 | -165.9 | 90.8 | -3.9 | 111.3 | D183 W230 G234 Q235 G257 W258 E398 | D183-R255 VanDerWaalsContact CG-NH1 3.26Å; D183-R255 IonicContact OD1-CZ 2.7Å; D183-R255 IonicContact OD1-NH1 3.42Å; D183-R255 PolarHBondContact OD1-NH1 2.89Å; D183-R255 IonicContact OD1-NH2 3.39Å; D183-R255 IonicContact OD2-CZ 2.85Å; D183-R255 IonicContact OD2-NH1 3.48Å; D183-R255 PolarHBondContact OD2-NH1 3.08Å; D183-R255 IonicContact OD2-NH2 3.8Å; D183-R255 PolarHBondContact OD2-NH2 3.46Å; W230-R255 HydrophobicContact CH2-CB 4.44Å; W230-R255 HydrophobicContact CH2-CG 4.16Å; W230-R255 HydrophobicContact CZ3-CB 4.17Å; W230-R255 HydrophobicContact CZ3-CG 4.18Å; G234-R255 WeakPolarHBondContact O-CD 3.42Å; G234-R255 PolarHBondContact O-NH1 2.76Å; Q235-R255 WeakPolarHBondContact O-CB 3.31Å; Q235-R255 PolarHBondContact O-N 2.92Å; R255-G257 PolarHBondContact O-N 2.89Å; R255-W258 HydrophobicContact CG-CH2 4.39Å; R255-E398 IonicContact NH2-OE1 3.53Å |
| 256 | D | 90.8 | Very high | 94.2 | Very high | 121 Ų | 121 | 46.4 Ų | 46.4 | 65% | 0.647 | 28% | 0.281 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78.5 | 91.9 | -173.4 | -63.8 | -20.2 | 0 | 0 | 0 | 111.4 | E254 K259 | E254-D256 PolarHBondContact O-N 2.81Å; D256-K259 PolarHBondContact O-NZ 2.71Å |
| 257 | G | 92.8 | Very high | 94.7 | Very high | 61 Ų | 61 | 42.3 Ų | 42.3 | 63% | 0.629 | 25% | 0.251 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 82.4 | 18 | -179.5 | 0 | 0 | 0 | 0 | 0 | 114.4 | R255 K259 | R255-G257 PolarHBondContact O-N 2.89Å; G257-K259 PolarHBondContact O-N 3.05Å; G257-K259 VanDerWaalsContact O-N 3.13Å |
| 258 | W | 96.4 | Very high | 94.8 | Very high | 42 Ų | 42 | 50.5 Ų | 50.5 | 16% | 0.159 | 27% | 0.274 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 56.4 | 33.2 | 167.5 | -54.4 | 114.5 | 0 | 0 | 0 | 114.9 | Y188 V200 E209 A210 I212 W230 V253 E254 R255 | Y188-W258 AromaticContact CD2-CH2 3.83Å; Y188-W258 HydrophobicContact CD2-CH2 3.83Å; Y188-W258 HydrophobicContact CD2-CZ2 4.15Å; Y188-W258 HydrophobicContact CE1-CZ2 4.12Å; Y188-W258 AromaticContact CE2-CH2 3.77Å; Y188-W258 HydrophobicContact CE2-CH2 3.77Å; Y188-W258 AromaticContact CE2-CZ2 3.7Å; Y188-W258 HydrophobicContact CE2-CZ2 3.7Å; Y188-W258 HydrophobicContact CG-CH2 4.3Å; Y188-W258 AromaticContact CZ-CZ2 3.69Å; V200-W258 HydrophobicContact CB-CH2 4.3Å; V200-W258 HydrophobicContact CB-CZ2 4.45Å; V200-W258 HydrophobicContact CB-CZ3 4.49Å; V200-W258 HydrophobicContact CG1-CH2 3.65Å; V200-W258 HydrophobicContact CG1-CZ2 3.95Å; V200-W258 HydrophobicContact CG1-CZ3 4.19Å; V200-W258 HydrophobicContact CG2-CE3 4.04Å; V200-W258 HydrophobicContact CG2-CH2 4.14Å; V200-W258 HydrophobicContact CG2-CZ3 3.83Å; E209-W258 HydrophobicContact CG-CZ2 4.07Å; A210-W258 HydrophobicContact CB-CB 4.33Å; A210-W258 HydrophobicContact CB-CD2 3.97Å; A210-W258 HydrophobicContact CB-CG 3.67Å; I212-W258 HydrophobicContact CD1-CB 4.2Å; I212-W258 HydrophobicContact CG1-CB 4.45Å; W230-W258 AromaticContact CH2-CH2 3.75Å; W230-W258 HydrophobicContact CH2-CH2 3.75Å; W230-W258 AromaticContact CH2-CZ3 3.66Å; W230-W258 HydrophobicContact CH2-CZ3 3.66Å; W230-W258 HydrophobicContact CZ2-CH2 4.15Å; W230-W258 HydrophobicContact CZ2-CZ3 4.13Å; V253-W258 HydrophobicContact CG1-CE3 4.02Å; E254-W258 WeakPolarHBondContact O-CA 3.18Å; E254-W258 PolarHBondContact O-N 3.27Å; E254-W258 VanDerWaalsContact O-N 3.12Å; R255-W258 HydrophobicContact CG-CH2 4.39Å |
| 259 | K | 96.3 | Very high | 94.9 | Very high | 89 Ų | 89 | 55.2 Ų | 55.2 | 39% | 0.387 | 29% | 0.292 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.1 | 141.2 | -171.6 | -45.7 | -171.4 | -148.1 | 68.5 | 0 | 111.7 | V253 E254 D256 G257 | V253-K259 WeakPolarHBondContact CA-O 3.24Å; E254-K259 HydrophobicContact CB-CB 4.26Å; E254-K259 HydrophobicContact CG-CB 4.43Å; E254-K259 PolarHBondContact N-O 3.07Å; E254-K259 PolarHBondContact O-N 2.99Å; E254-K259 WeakPolarHBondContact OE2-CD 3.01Å; E254-K259 IonicContact OE2-NZ 3.77Å; E254-K259 PolarHBondContact OE2-NZ 2.84Å; D256-K259 PolarHBondContact O-NZ 2.71Å; G257-K259 PolarHBondContact O-N 3.05Å; G257-K259 VanDerWaalsContact O-N 3.13Å |
| 260 | T | 96.8 | Very high | 94.9 | Very high | 28 Ų | 28 | 56 Ų | 56 | 17% | 0.172 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.4 | 57.8 | -174.8 | 66.7 | 0 | 0 | 0 | 0 | 111 | I212 P215 Q251 V253 | I212-T260 HydrophobicContact CG2-CG2 3.59Å; P215-T260 HydrophobicContact CG-CG2 3.77Å; Q251-T260 HydrophobicContact CG-CG2 4.36Å; Q251-T260 VanDerWaalsContact NE2-CA 3.34Å; Q251-T260 PolarHBondContact NE2-O 3.49Å; V253-T260 HydrophobicContact CG2-CG2 4.42Å |
| 261 | N | 94.6 | Very high | 94.9 | Very high | 112 Ų | 112 | 56 Ų | 56 | 60% | 0.599 | 30% | 0.298 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -100.2 | -8.7 | -169.2 | -64.6 | -32.3 | 0 | 0 | 0 | 114.7 | ||
| 262 | M | 94.1 | Very high | 94.9 | Very high | 106 Ų | 106 | 55.6 Ų | 55.6 | 52% | 0.522 | 30% | 0.297 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.5 | 149 | -175.1 | -55.3 | -173.5 | -168.4 | 0 | 0 | 110.7 | Q251 I252 | Q251-M262 PolarHBondContact NE2-O 2.83Å; I252-M262 WeakPolarHBondContact CA-O 3.48Å; I252-M262 HydrophobicContact CB-CB 4.29Å; I252-M262 VanDerWaalsContact CB-O 3.22Å; I252-M262 WeakPolarHBondContact CB-O 3.42Å; I252-M262 HydrophobicContact CD1-CB 4.02Å; I252-M262 PolarHBondContact N-O 3.14Å |
| 263 | D | 95.1 | Very high | 94.9 | Very high | 34 Ų | 34 | 54.6 Ų | 54.6 | 18% | 0.182 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.2 | 155.3 | 179.7 | 58.2 | -22.9 | 0 | 0 | 0 | 112.4 | N244 T249 A250 V265 | N244-D263 WeakPolarHBondContact CB-OD2 3.18Å; N244-D263 VanDerWaalsContact ND2-CG 3.34Å; N244-D263 PolarHBondContact ND2-OD1 2.86Å; N244-D263 PolarHBondContact ND2-OD2 2.87Å; T249-D263 WeakPolarHBondContact CB-OD2 3.34Å; T249-D263 VanDerWaalsContact CG2-OD2 3.25Å; T249-D263 WeakPolarHBondContact CG2-OD2 3.43Å; T249-D263 PolarHBondContact OG1-OD2 2.97Å; A250-D263 WeakPolarHBondContact O-CA 3.11Å; D263-V265 WeakPolarHBondContact OD1-CG2 3.27Å |
| 264 | F | 95.3 | Very high | 94.9 | Very high | 17 Ų | 17 | 54.6 Ų | 54.6 | 8% | 0.075 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86 | 117.1 | 168.7 | -59.9 | -51.3 | 0 | 0 | 0 | 109.4 | V238 T249 A250 I252 C300 V302 W312 | V238-F264 HydrophobicContact CG1-CD2 4.02Å; V238-F264 HydrophobicContact CG1-CE2 4.06Å; V238-F264 HydrophobicContact CG2-CE2 4.15Å; T249-F264 WeakPolarHBondContact CA-O 3.04Å; T249-F264 WeakPolarHBondContact CB-O 3.32Å; A250-F264 HydrophobicContact CB-CB 4.26Å; A250-F264 HydrophobicContact CB-CD2 4.39Å; A250-F264 PolarHBondContact N-O 3.07Å; A250-F264 PolarHBondContact O-N 3.44Å; I252-F264 HydrophobicContact CD1-CD1 4.09Å; I252-F264 HydrophobicContact CD1-CE1 3.8Å; I252-F264 HydrophobicContact CD1-CE2 4.26Å; I252-F264 HydrophobicContact CD1-CG 4.44Å; I252-F264 HydrophobicContact CD1-CZ 3.9Å; I252-F264 HydrophobicContact CG1-CD2 4.37Å; I252-F264 HydrophobicContact CG1-CE2 4.21Å; I252-F264 HydrophobicContact CG1-CZ 4.32Å; F264-C300 HydrophobicContact CE2-CB 4.18Å; F264-C300 HydrophobicContact CZ-CB 4.31Å; F264-V302 HydrophobicContact CD2-CG2 3.85Å; F264-V302 HydrophobicContact CE2-CG2 4.44Å; F264-V302 HydrophobicContact CG-CG2 4.47Å; F264-W312 HydrophobicContact CB-CD2 4.28Å; F264-W312 HydrophobicContact CB-CH2 4.39Å; F264-W312 HydrophobicContact CB-CZ2 3.89Å; F264-W312 HydrophobicContact CD1-CB 4.14Å; F264-W312 AromaticContact CD1-CD2 3.35Å; F264-W312 HydrophobicContact CD1-CD2 3.35Å; F264-W312 AromaticContact CD1-CE2 3.82Å; F264-W312 AromaticContact CD1-CE3 3.47Å; F264-W312 HydrophobicContact CD1-CE3 3.47Å; F264-W312 VanDerWaalsContact CD1-CE3 3.47Å; F264-W312 AromaticContact CD1-CG 3.67Å; F264-W312 HydrophobicContact CD1-CG 3.67Å; F264-W312 HydrophobicContact CD1-CH2 4.39Å; F264-W312 HydrophobicContact CD1-CZ2 4.33Å; F264-W312 AromaticContact CD1-CZ3 3.99Å; F264-W312 HydrophobicContact CD1-CZ3 3.99Å; F264-W312 HydrophobicContact CE1-CB 3.69Å; F264-W312 AromaticContact CE1-CD2 3.83Å; F264-W312 HydrophobicContact CE1-CD2 3.83Å; F264-W312 AromaticContact CE1-CE3 3.9Å; F264-W312 HydrophobicContact CE1-CE3 3.9Å; F264-W312 AromaticContact CE1-CG 3.76Å; F264-W312 HydrophobicContact CE1-CG 3.76Å; F264-W312 AromaticContact CG-CD2 3.96Å; F264-W312 HydrophobicContact CG-CD2 3.96Å; F264-W312 AromaticContact CG-CE2 3.98Å; F264-W312 HydrophobicContact CG-CE3 4.42Å; F264-W312 HydrophobicContact CG-CG 4.11Å; F264-W312 HydrophobicContact CG-CZ2 4.46Å; F264-W312 HydrophobicContact CZ-CB 3.98Å; F264-W312 HydrophobicContact CZ-CG 4.28Å |
| 265 | V | 93.3 | Very high | 95 | Very high | 79 Ų | 79 | 54.6 Ų | 54.6 | 48% | 0.479 | 29% | 0.291 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.2 | 137.9 | -172.1 | -169.4 | 0 | 0 | 0 | 0 | 110.2 | T249 D263 W312 | T249-V265 HydrophobicContact CG2-CB 4.26Å; T249-V265 HydrophobicContact CG2-CG1 4.04Å; T249-V265 HydrophobicContact CG2-CG2 3.87Å; D263-V265 WeakPolarHBondContact OD1-CG2 3.27Å; V265-W312 WeakPolarHBondContact O-CH2 3.46Å |
| 266 | G | 89.9 | Confident | 95.2 | Very high | 55 Ų | 55 | 54.6 Ų | 54.6 | 57% | 0.567 | 29% | 0.292 | S | S | * | . | trans | 147.5 | -17.5 | 172.7 | 0 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 267 | H | 94.2 | Very high | 95.5 | Very high | 12 Ų | 12 | 48.9 Ų | 48.9 | 6% | 0.056 | 26% | 0.261 | C | S | . | . | trans | -71 | 150.1 | 172.8 | -71.1 | -72.5 | 0 | 0 | 0 | 111.5 | V271 S304 D306 S308 S310 | H267-V271 HydrophobicContact CB-CG2 3.87Å; H267-S304 VanDerWaalsContact ND1-CB 3.33Å; H267-S304 WeakPolarHBondContact ND1-CB 3.49Å; H267-D306 WeakPolarHBondContact CA-OD2 3.47Å; H267-D306 WeakPolarHBondContact CB-OD2 3.45Å; H267-D306 IonicContact CG-OD2 2.76Å; H267-D306 IonicContact ND1-OD1 2.81Å; H267-D306 IonicContact ND1-OD2 2.73Å; H267-D306 PolarHBondContact ND1-OD2 3.08Å; H267-S308 PolarHBondContact CE1-O 2.95Å; H267-S308 VanDerWaalsContact CE1-O 3.31Å; H267-S308 PolarHBondContact CE1-OG 2.82Å; H267-S308 VanDerWaalsContact CE1-OG 3.32Å; H267-S308 PolarHBondContact ND1-OG 2.85Å; H267-S310 PolarHBondContact NE2-OG 3.04Å | ||
| 268 | R | 93.1 | Very high | 95.5 | Very high | 198 Ų | 198 | 48.1 Ų | 48.1 | 75% | 0.747 | 25% | 0.245 | S | C | * | . | S | Bend | trans | -100.4 | -10.3 | -174.8 | -55.2 | -173.7 | -173.3 | -160.7 | 4.8 | 113.5 | D306 | R268-D306 HydrophobicContact CB-CB 4.29Å; R268-D306 PolarHBondContact N-OD2 3.17Å |
| 269 | K | 94.7 | Very high | 95.4 | Very high | 120 Ų | 120 | 48.1 Ų | 48.1 | 52% | 0.522 | 25% | 0.246 | S | C | . | . | S | Bend | trans | -140.9 | 167.7 | 174.8 | -60.1 | -179.8 | -173.7 | 169.8 | 0 | 108.9 | V271 S304 K305 D306 | K269-V271 PolarHBondContact O-N 3.27Å; K269-S304 PolarHBondContact O-OG 3.39Å; K269-K305 HydrophobicContact CB-CB 4.07Å; K269-D306 HydrophobicContact CB-CB 3.97Å; K269-D306 HydrophobicContact CD-CB 4.18Å; K269-D306 HydrophobicContact CG-CB 3.98Å |
| 270 | A | 95 | Very high | 95.3 | Very high | 15 Ų | 15 | 44 Ų | 44 | 12% | 0.124 | 23% | 0.228 | C | C | . | . | trans | -37.5 | 120.2 | 172.3 | 0 | 0 | 0 | 0 | 0 | 112 | T223 H241 S304 K305 | T223-A270 HydrophobicContact CG2-CB 3.71Å; H241-A270 VanDerWaalsContact CD2-CB 3.46Å; H241-A270 WeakPolarHBondContact CD2-CB 3.48Å; H241-A270 WeakPolarHBondContact NE2-CB 3.42Å; A270-S304 PolarHBondContact O-OG 3.38Å; A270-S304 VanDerWaalsContact O-OG 3.08Å; A270-K305 HydrophobicContact CB-CD 4.43Å; A270-K305 WeakPolarHBondContact O-CB 3.46Å; A270-K305 PolarHBondContact O-N 3.43Å | ||
| 271 | V | 96.5 | Very high | 95.2 | Very high | 0 Ų | 0 | 42.7 Ų | 42.7 | 0% | 0 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -64.5 | 149 | 166.7 | 173.8 | 0 | 0 | 0 | 0 | 107.5 | A240 A250 H267 K269 V274 V302 G303 | A240-V271 CarbonylContact O-C 3.56Å; A240-V271 WeakPolarHBondContact O-CA 3.41Å; A240-V271 WeakPolarHBondContact O-CB 3.13Å; A240-V271 WeakPolarHBondContact O-CG1 3.5Å; A250-V271 HydrophobicContact CB-CG1 4.35Å; H267-V271 HydrophobicContact CB-CG2 3.87Å; K269-V271 PolarHBondContact O-N 3.27Å; V271-V274 HydrophobicContact CG1-CG2 4.09Å; V271-V302 HydrophobicContact CB-CG1 4.45Å; V271-V302 HydrophobicContact CG1-CG1 3.48Å; V271-V302 VanDerWaalsContact CG1-CG1 3.48Å; V271-V302 HydrophobicContact CG2-CG1 4.02Å; V271-G303 VanDerWaalsContact CG1-O 3.31Å; V271-G303 WeakPolarHBondContact CG1-O 3.35Å |
| 272 | T | 96.8 | Very high | 95 | Very high | 5 Ų | 5 | 40.1 Ų | 40.1 | 3% | 0.031 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.2 | -32.4 | -173 | 43.2 | 0 | 0 | 0 | 0 | 112.2 | T223 R227 G303 K305 I331 | T223-T272 HydrophobicContact CG2-CG2 4.35Å; R227-T272 PolarHBondContact N-O 2.9Å; R227-T272 VanDerWaalsContact N-O 3.14Å; T272-G303 PolarHBondContact N-O 3.28Å; T272-G303 PolarHBondContact OG1-O 3.28Å; T272-G303 VanDerWaalsContact OG1-O 3.1Å; T272-K305 HydrophobicContact CG2-CB 4.2Å; T272-I331 WeakPolarHBondContact CB-O 3.27Å; T272-I331 PolarHBondContact OG1-O 3.32Å |
| 273 | V | 98.1 | Very high | 94.5 | Very high | 0 Ų | 0 | 42.2 Ų | 42.2 | 0% | 0 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.7 | 137.9 | 179.8 | 51.8 | 0 | 0 | 0 | 0 | 112.1 | R227 K275 V302 G303 I331 I334 | R227-V273 HydrophobicContact CB-CB 3.81Å; R227-V273 HydrophobicContact CB-CG2 3.69Å; R227-V273 HydrophobicContact CG-CB 4.27Å; R227-V273 HydrophobicContact CG-CG2 4.29Å; V273-K275 HydrophobicContact CG2-CG 3.89Å; V273-V302 WeakPolarHBondContact O-CA 3.27Å; V273-G303 PolarHBondContact N-O 3.19Å; V273-G303 PolarHBondContact O-N 3.5Å; V273-I331 HydrophobicContact CG1-CG2 3.7Å; V273-I334 HydrophobicContact CG1-CD1 3.82Å; V273-I334 HydrophobicContact CG1-CG1 3.87Å; V273-I334 HydrophobicContact CG2-CB 4.06Å; V273-I334 HydrophobicContact CG2-CD1 4.14Å; V273-I334 HydrophobicContact CG2-CG1 4.03Å |
| 274 | V | 98.2 | Very high | 93.5 | Very high | 0 Ų | 0 | 44.9 Ų | 44.9 | 0% | 0 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.7 | 131.9 | 167.8 | -178.5 | 0 | 0 | 0 | 0 | 108 | R227 S229 V238 S239 A250 V271 C300 A301 V302 | R227-V274 PolarHBondContact O-N 2.78Å; S229-V274 VanDerWaalsContact CB-O 3.25Å; S229-V274 WeakPolarHBondContact CB-O 3.39Å; V238-V274 HydrophobicContact CB-CG1 3.87Å; V238-V274 HydrophobicContact CG1-CB 4.42Å; V238-V274 HydrophobicContact CG1-CG1 3.76Å; V238-V274 HydrophobicContact CG1-CG2 4.18Å; S239-V274 WeakPolarHBondContact O-CG2 3.45Å; A250-V274 HydrophobicContact CB-CG2 3.93Å; V271-V274 HydrophobicContact CG1-CG2 4.09Å; V274-C300 WeakPolarHBondContact CG1-SG 3.31Å; V274-A301 CarbonylContact C-O 3.59Å; V274-A301 WeakPolarHBondContact CA-O 3.38Å; V274-V302 HydrophobicContact CG1-CG2 4.33Å; V274-V302 HydrophobicContact CG2-CG1 4.26Å; V274-V302 HydrophobicContact CG2-CG2 4.3Å |
| 275 | K | 98.4 | Very high | 92.2 | Very high | 38 Ų | 38 | 49.3 Ų | 49.3 | 17% | 0.165 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.9 | 117.8 | 175.8 | -71.6 | -69.1 | -168.7 | 176.4 | 0 | 110.6 | V273 A301 I334 W336 | V273-K275 HydrophobicContact CG2-CG 3.89Å; K275-A301 PolarHBondContact N-O 2.93Å; K275-A301 PolarHBondContact O-N 2.7Å; K275-I334 HydrophobicContact CB-CB 4.08Å; K275-I334 HydrophobicContact CB-CG2 3.87Å; K275-I334 WeakPolarHBondContact CE-O 3.32Å; K275-I334 HydrophobicContact CG-CB 3.77Å; K275-I334 HydrophobicContact CG-CG2 4.09Å; K275-I334 WeakPolarHBondContact CG-O 2.98Å; K275-W336 PolarHBondContact O-NE1 3.28Å |
| 276 | F | 98.4 | Very high | 90.8 | Very high | 15 Ų | 15 | 54 Ų | 54 | 7% | 0.066 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.9 | 150.7 | 165.9 | -77 | -93 | 0 | 0 | 0 | 111.3 | S229 W230 V238 C298 C299 C300 | S229-F276 WeakPolarHBondContact O-CE2 3.48Å; S229-F276 PolarHBondContact OG-N 3.31Å; W230-F276 WeakPolarHBondContact O-CB 3.36Å; W230-F276 WeakPolarHBondContact O-CD2 3.41Å; W230-F276 WeakPolarHBondContact O-CG 3.38Å; V238-F276 HydrophobicContact CB-CE2 3.96Å; V238-F276 HydrophobicContact CB-CZ 4.5Å; V238-F276 HydrophobicContact CG2-CE2 3.48Å; V238-F276 VanDerWaalsContact CG2-CE2 3.48Å; V238-F276 HydrophobicContact CG2-CZ 3.57Å; F276-C298 HydrophobicContact CD1-CB 4.06Å; F276-C298 HydrophobicContact CE1-CB 4.1Å; F276-C299 WeakPolarHBondContact CA-O 3.46Å; F276-C299 WeakPolarHBondContact CD1-O 3.36Å; F276-C300 HydrophobicContact CD1-CB 3.67Å; F276-C300 HydrophobicContact CE1-CB 3.68Å; F276-C300 HydrophobicContact CG-CB 4.13Å; F276-C300 HydrophobicContact CZ-CB 4.15Å |
| 277 | N | 97.9 | Very high | 89 | Confident | 1 Ų | 1 | 59.6 Ų | 59.6 | 1% | 0.005 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.5 | 140.3 | 168.4 | -166.2 | -60.5 | 0 | 0 | 0 | 109.5 | P232 K279 F281 C299 W336 G340 | P232-N277 VanDerWaalsContact CG-O 3.29Å; P232-N277 WeakPolarHBondContact CG-O 3.4Å; N277-K279 PolarHBondContact O-N 3.01Å; N277-K279 WeakPolarHBondContact OD1-CB 3.39Å; N277-K279 PolarHBondContact OD1-N 2.96Å; N277-F281 HydrophobicContact CB-CE2 4.28Å; N277-C299 HydrophobicContact CB-CB 3.77Å; N277-C299 WeakPolarHBondContact CB-O 3.18Å; N277-C299 PolarHBondContact N-O 2.85Å; N277-W336 HydrophobicContact CB-CD2 4.1Å; N277-W336 HydrophobicContact CB-CG 4.44Å; N277-W336 HydrophobicContact CB-CZ2 4.23Å; N277-W336 WeakPolarHBondContact ND2-CZ3 3.5Å; N277-G340 PolarHBondContact ND2-O 3.32Å; N277-G340 VanDerWaalsContact OD1-CA 3.24Å; N277-G340 WeakPolarHBondContact OD1-CA 3.12Å |
| 278 | P | 93.4 | Very high | 87.3 | Confident | 44 Ų | 44 | 63.1 Ų | 63.1 | 29% | 0.286 | 31% | 0.312 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.2 | -13.2 | 177.9 | 27.6 | -36 | 0 | 0 | 0 | 113.6 | W336 T337 L338 | P278-W336 HydrophobicContact CG-CB 4.36Å; P278-T337 WeakPolarHBondContact CG-O 3.43Å; P278-L338 HydrophobicContact CG-CD2 4.41Å |
| 279 | K | 93.6 | Very high | 85.7 | Confident | 42 Ų | 42 | 57.3 Ų | 57.3 | 18% | 0.183 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.9 | 139.8 | 177.2 | -62.5 | -64.4 | -178.2 | 173 | 0 | 112 | N277 F281 L338 P365 E368 | N277-K279 PolarHBondContact O-N 3.01Å; N277-K279 WeakPolarHBondContact OD1-CB 3.39Å; N277-K279 PolarHBondContact OD1-N 2.96Å; K279-F281 HydrophobicContact CB-CE2 3.91Å; K279-F281 HydrophobicContact CB-CZ 3.95Å; K279-F281 WeakPolarHBondContact O-CD2 3.25Å; K279-F281 WeakPolarHBondContact O-CE2 3.41Å; K279-L338 WeakPolarHBondContact CE-O 3.31Å; K279-P365 HydrophobicContact CB-CB 4.18Å; K279-P365 HydrophobicContact CD-CB 4.44Å; K279-P365 HydrophobicContact CG-CB 4.25Å; K279-E368 IonicContact NZ-OE1 2.69Å; K279-E368 PolarHBondContact NZ-OE1 3.06Å |
| 280 | I | 94.6 | Very high | 83.6 | Confident | 3 Ų | 3 | 55.7 Ų | 55.7 | 2% | 0.015 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.2 | 143.1 | 160.6 | -55.3 | 169.8 | 0 | 0 | 0 | 106.6 | P232 D233 P296 L366 K371 | P232-I280 HydrophobicContact CB-CG1 4.15Å; P232-I280 HydrophobicContact CG-CG1 3.82Å; D233-I280 HydrophobicContact CB-CD1 3.94Å; I280-P296 HydrophobicContact CG2-CB 3.7Å; I280-L366 HydrophobicContact CB-CD1 3.78Å; I280-L366 HydrophobicContact CB-CG 4.04Å; I280-L366 HydrophobicContact CD1-CD1 4.5Å; I280-L366 HydrophobicContact CG2-CD1 3.52Å; I280-L366 HydrophobicContact CG2-CG 3.99Å; I280-L366 PolarHBondContact O-N 2.85Å; I280-K371 HydrophobicContact CD1-CB 4.34Å; I280-K371 HydrophobicContact CD1-CD 4.45Å; I280-K371 HydrophobicContact CD1-CG 3.95Å |
| 281 | F | 94.1 | Very high | 81.5 | Confident | 0 Ų | 0 | 60.5 Ų | 60.5 | 0% | 0 | 34% | 0.335 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.2 | 154.2 | -178.4 | -65.9 | -93 | 0 | 0 | 0 | 111.6 | N277 K279 P296 Y297 C299 L341 L362 G363 D364 P365 | N277-F281 HydrophobicContact CB-CE2 4.28Å; K279-F281 HydrophobicContact CB-CE2 3.91Å; K279-F281 HydrophobicContact CB-CZ 3.95Å; K279-F281 WeakPolarHBondContact O-CD2 3.25Å; K279-F281 WeakPolarHBondContact O-CE2 3.41Å; F281-P296 CarbonylContact O-C 3.55Å; F281-P296 WeakPolarHBondContact O-CA 3.25Å; F281-Y297 HydrophobicContact CB-CD2 4.09Å; F281-Y297 HydrophobicContact CB-CE2 3.56Å; F281-Y297 HydrophobicContact CG-CE2 4.49Å; F281-Y297 PolarHBondContact N-O 2.96Å; F281-Y297 PolarHBondContact O-N 3.1Å; F281-C299 HydrophobicContact CD2-CB 4.21Å; F281-C299 HydrophobicContact CE2-CB 4.03Å; F281-L341 HydrophobicContact CE1-CD2 4.48Å; F281-L362 HydrophobicContact CD1-CB 4.02Å; F281-L362 HydrophobicContact CE1-CB 3.79Å; F281-L362 HydrophobicContact CE1-CD1 4.35Å; F281-L362 HydrophobicContact CZ-CB 4.16Å; F281-L362 HydrophobicContact CZ-CD1 4.05Å; F281-G363 WeakPolarHBondContact CD1-O 3.4Å; F281-D364 CarbonylContact C-O 3.59Å; F281-D364 WeakPolarHBondContact CA-O 3.27Å; F281-P365 HydrophobicContact CD1-CB 4.24Å; F281-P365 HydrophobicContact CE1-CB 4.08Å |
| 282 | K | 90.8 | Very high | 79.4 | Confident | 58 Ų | 58 | 68.2 Ų | 68.2 | 25% | 0.252 | 37% | 0.369 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.9 | 151.5 | 167.4 | 59.4 | -171.6 | 170.9 | -149.2 | 0 | 109.8 | K284 D364 L366 E370 | K282-K284 PolarHBondContact O-N 3.05Å; K282-D364 HydrophobicContact CG-CB 4.25Å; K282-D364 WeakPolarHBondContact CG-O 3.43Å; K282-D364 PolarHBondContact N-O 3.36Å; K282-D364 PolarHBondContact O-N 2.87Å; K282-L366 HydrophobicContact CB-CD2 3.86Å; K282-L366 HydrophobicContact CD-CD2 3.58Å; K282-L366 HydrophobicContact CG-CD2 3.79Å; K282-E370 IonicContact NZ-OE1 3.15Å; K282-E370 PolarHBondContact NZ-OE1 2.84Å; K282-E370 IonicContact NZ-OE2 2.74Å; K282-E370 PolarHBondContact NZ-OE2 3.49Å |
| 283 | K | 83.9 | Confident | 77.6 | Confident | 151 Ų | 151 | 73.8 Ų | 73.8 | 66% | 0.657 | 41% | 0.405 | S | S | * | . | trans | -75.2 | 117.2 | -179.7 | -174.2 | 171.7 | -176.8 | 170.7 | 0 | 109.8 | Q285 S294 Y297 | K283-Q285 PolarHBondContact O-N 2.89Å; K283-Q285 VanDerWaalsContact O-N 3.14Å; K283-S294 WeakPolarHBondContact CB-OG 3.49Å; K283-S294 PolarHBondContact N-OG 3.34Å; K283-Y297 HydrophobicContact CB-CE1 4.24Å | ||
| 284 | K | 73.1 | Confident | 76.2 | Confident | 89 Ų | 89 | 75.7 Ų | 75.7 | 39% | 0.387 | 42% | 0.418 | S | S | . | . | trans | -46.6 | 115.3 | 173.1 | -167.5 | 166.5 | -177.4 | 179.3 | 0 | 111.1 | K282 K286 D360 D364 | K282-K284 PolarHBondContact O-N 3.05Å; K284-K286 PolarHBondContact O-N 2.85Å; K284-D360 WeakPolarHBondContact CD-OD1 3.22Å; K284-D360 WeakPolarHBondContact CE-OD1 3.27Å; K284-D360 IonicContact NZ-OD1 3.79Å; K284-D360 PolarHBondContact NZ-OD1 3.1Å; K284-D360 IonicContact NZ-OD2 3.38Å; K284-D364 WeakPolarHBondContact CA-OD2 3.11Å; K284-D364 VanDerWaalsContact CB-OD2 3.31Å; K284-D364 WeakPolarHBondContact CB-OD2 3.41Å; K284-D364 WeakPolarHBondContact CG-OD2 3.49Å | ||
| 285 | Q | 67.6 | Low | 75.4 | Confident | 111 Ų | 111 | 79.9 Ų | 79.9 | 52% | 0.519 | 45% | 0.446 | S | S | . | . | P | Polyproline II helix | trans | -69.3 | 132.1 | -179.5 | -75.1 | -172.9 | -16.3 | 0 | 0 | 109.5 | K283 K292 | K283-Q285 PolarHBondContact O-N 2.89Å; K283-Q285 VanDerWaalsContact O-N 3.14Å; Q285-K292 PolarHBondContact NE2-O 3.08Å |
| 286 | K | 63.8 | Low | 75.1 | Confident | 176 Ų | 176 | 81.2 Ų | 81.2 | 77% | 0.765 | 46% | 0.459 | S | S | * | . | P | Polyproline II helix | trans | -83.2 | 122.9 | 170.5 | -71.9 | -167 | 173.3 | -168.9 | 0 | 108.7 | K284 G288 S289 | K284-K286 PolarHBondContact O-N 2.85Å; K286-G288 PolarHBondContact O-N 2.63Å; K286-G288 VanDerWaalsContact O-N 3.11Å; K286-S289 PolarHBondContact O-N 3.37Å; K286-S289 PolarHBondContact O-OG 3.02Å |
| 287 | N | 52.1 | Low | 74.9 | Confident | 173 Ų | 173 | 81.3 Ų | 81.3 | 93% | 0.925 | 46% | 0.459 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -48.7 | 118.7 | 174.9 | -66.9 | -2.7 | 0 | 0 | 0 | 110 | ||
| 288 | G | 60.5 | Low | 74.8 | Confident | 87 Ų | 87 | 81.2 Ų | 81.2 | 90% | 0.897 | 46% | 0.458 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 113.9 | -14.1 | -179.8 | 0 | 0 | 0 | 0 | 0 | 116.3 | K286 | K286-G288 PolarHBondContact O-N 2.63Å; K286-G288 VanDerWaalsContact O-N 3.11Å |
| 289 | S | 57.8 | Low | 75 | Confident | 75 Ų | 75 | 79.1 Ų | 79.1 | 52% | 0.524 | 45% | 0.445 | S | S | . | . | S | Bend | trans | -84.8 | 142.9 | 168.8 | 62.4 | 0 | 0 | 0 | 0 | 111.9 | K286 | K286-S289 PolarHBondContact O-N 3.37Å; K286-S289 PolarHBondContact O-OG 3.02Å |
| 290 | S | 51.7 | Low | 75.2 | Confident | 86 Ų | 86 | 77.2 Ų | 77.2 | 60% | 0.601 | 44% | 0.437 | S | S | * | . | trans | -57.4 | 150.1 | 176.1 | 56.7 | 0 | 0 | 0 | 0 | 112.6 | K292 | S290-K292 PolarHBondContact O-N 3.12Š| ||
| 291 | P | 50.3 | Low | 75.4 | Confident | 116 Ų | 116 | 77 Ų | 77 | 75% | 0.753 | 44% | 0.436 | S | S | * | . | trans | -75.3 | 70.8 | -170.8 | 31.7 | -37.3 | 0 | 0 | 0 | 112.3 | ||||
| 292 | K | 53.5 | Low | 75.6 | Confident | 163 Ų | 163 | 77 Ų | 77 | 71% | 0.709 | 44% | 0.436 | S | S | * | . | P | Polyproline II helix | trans | -70.9 | 128.9 | 159.4 | -68.7 | -172.3 | 176.4 | -175.7 | 0 | 107.8 | Q285 S290 S294 | Q285-K292 PolarHBondContact NE2-O 3.08Å; S290-K292 PolarHBondContact O-N 3.12Å; K292-S294 PolarHBondContact O-N 3.09Å |
| 293 | P | 58.1 | Low | 75.9 | Confident | 122 Ų | 122 | 74.3 Ų | 74.3 | 79% | 0.792 | 42% | 0.424 | S | S | * | . | P | Polyproline II helix | trans | -59.8 | 128.7 | 171.8 | 25.7 | -32.8 | 0 | 0 | 0 | 108.4 | C295 | P293-C295 PolarHBondContact O-N 2.88Š|
| 294 | S | 68.7 | Low | 76.5 | Confident | 40 Ų | 40 | 67.1 Ų | 67.1 | 28% | 0.28 | 39% | 0.393 | S | S | . | . | P | Polyproline II helix | trans | -65 | 129.3 | 170.3 | -178.8 | 0 | 0 | 0 | 0 | 107.8 | K283 K292 | K283-S294 WeakPolarHBondContact CB-OG 3.49Å; K283-S294 PolarHBondContact N-OG 3.34Å; K292-S294 PolarHBondContact O-N 3.09Å |
| 295 | C | 81.1 | Confident | 77.6 | Confident | 88 Ų | 88 | 67.1 Ų | 67.1 | 60% | 0.595 | 39% | 0.393 | S | S | * | . | P | Polyproline II helix | trans | -59 | 137 | 160.4 | 46.4 | 0 | 0 | 0 | 0 | 108.9 | P293 | P293-C295 PolarHBondContact O-N 2.88Š|
| 296 | P | 91.7 | Very high | 79 | Confident | 65 Ų | 65 | 62.7 Ų | 62.7 | 42% | 0.422 | 37% | 0.372 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.6 | 155 | 166.9 | 31.5 | -34.1 | 0 | 0 | 0 | 109.8 | I280 F281 L366 I374 | I280-P296 HydrophobicContact CG2-CB 3.7Å; F281-P296 CarbonylContact O-C 3.55Å; F281-P296 WeakPolarHBondContact O-CA 3.25Å; P296-L366 HydrophobicContact CB-CD1 4.14Å; P296-I374 HydrophobicContact CB-CD1 3.89Å; P296-I374 HydrophobicContact CG-CD1 3.82Å |
| 297 | Y | 93.9 | Very high | 80.5 | Confident | 17 Ų | 17 | 58.8 Ų | 58.8 | 7% | 0.067 | 35% | 0.353 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -150 | 158.4 | 175 | 55.7 | -94.9 | 0 | 0 | 0 | 111.8 | F281 K283 L313 T314 S315 L362 | F281-Y297 HydrophobicContact CB-CD2 4.09Å; F281-Y297 HydrophobicContact CB-CE2 3.56Å; F281-Y297 HydrophobicContact CG-CE2 4.49Å; F281-Y297 PolarHBondContact N-O 2.96Å; F281-Y297 PolarHBondContact O-N 3.1Å; K283-Y297 HydrophobicContact CB-CE1 4.24Å; Y297-L313 HydrophobicContact CD2-CB 4.12Å; Y297-L313 HydrophobicContact CD2-CD1 4.44Å; Y297-L313 HydrophobicContact CD2-CD2 4.28Å; Y297-L313 HydrophobicContact CE2-CB 4.38Å; Y297-L313 HydrophobicContact CE2-CD1 3.87Å; Y297-L313 HydrophobicContact CE2-CD2 4.1Å; Y297-L313 HydrophobicContact CE2-CG 4.35Å; Y297-T314 WeakPolarHBondContact CB-OG1 3.48Å; Y297-S315 WeakPolarHBondContact CD1-OG 3.22Å; Y297-S315 WeakPolarHBondContact CD2-OG 3.44Å; Y297-L362 VanDerWaalsContact CE2-O 3.31Å; Y297-L362 WeakPolarHBondContact CE2-O 3.25Å; Y297-L362 PolarHBondContact OH-O 2.81Å |
| 298 | C | 96.3 | Very high | 82.7 | Confident | 0 Ų | 0 | 50.6 Ų | 50.6 | 0% | 0 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.6 | 148.4 | -179.6 | -73.1 | 0 | 0 | 0 | 0 | 111.1 | P232 D233 F276 L313 T314 | P232-C298 HydrophobicContact CG-CB 4.43Å; P232-C298 VanDerWaalsContact CG-SG 3.53Å; D233-C298 VanDerWaalsContact CG-SG 3.58Å; D233-C298 PolarHBondContact OD2-SG 2.79Å; F276-C298 HydrophobicContact CD1-CB 4.06Å; F276-C298 HydrophobicContact CE1-CB 4.1Å; C298-L313 CarbonylContact O-C 3.54Å; C298-L313 WeakPolarHBondContact O-CA 3.25Å; C298-T314 HydrophobicContact CB-CG2 4.09Å; C298-T314 PolarHBondContact N-OG1 2.96Å; C298-T314 PolarHBondContact O-N 2.84Å |
| 299 | C | 97.4 | Very high | 84.5 | Confident | 0 Ų | 0 | 46.5 Ų | 46.5 | 0% | 0 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105 | 138.6 | 173.2 | 179.3 | 0 | 0 | 0 | 0 | 110.2 | F276 N277 F281 W312 L313 | F276-C299 WeakPolarHBondContact CA-O 3.46Å; F276-C299 WeakPolarHBondContact CD1-O 3.36Å; N277-C299 HydrophobicContact CB-CB 3.77Å; N277-C299 WeakPolarHBondContact CB-O 3.18Å; N277-C299 PolarHBondContact N-O 2.85Å; F281-C299 HydrophobicContact CD2-CB 4.21Å; F281-C299 HydrophobicContact CE2-CB 4.03Å; C299-W312 CarbonylContact C-O 3.59Å; C299-W312 WeakPolarHBondContact CA-O 3.35Å; C299-L313 HydrophobicContact CB-CD2 3.6Å |
| 300 | C | 98 | Very high | 86.4 | Confident | 1 Ų | 1 | 43.1 Ų | 43.1 | 1% | 0.007 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.2 | 128.1 | -177.3 | -166.3 | 0 | 0 | 0 | 0 | 111.8 | F264 V274 F276 V311 W312 | F264-C300 HydrophobicContact CE2-CB 4.18Å; F264-C300 HydrophobicContact CZ-CB 4.31Å; V274-C300 WeakPolarHBondContact CG1-SG 3.31Å; F276-C300 HydrophobicContact CD1-CB 3.67Å; F276-C300 HydrophobicContact CE1-CB 3.68Å; F276-C300 HydrophobicContact CG-CB 4.13Å; F276-C300 HydrophobicContact CZ-CB 4.15Å; C300-V311 CarbonylContact O-C 3.57Å; C300-V311 WeakPolarHBondContact O-CA 3.24Å; C300-W312 PolarHBondContact N-O 2.83Å; C300-W312 PolarHBondContact O-N 2.9Å |
| 301 | A | 98.5 | Very high | 88.6 | Confident | 0 Ų | 0 | 39.1 Ų | 39.1 | 0% | 0 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.4 | 142.4 | 172.5 | 0 | 0 | 0 | 0 | 0 | 110.8 | V274 K275 S310 V311 I334 W336 M343 | V274-A301 CarbonylContact C-O 3.59Å; V274-A301 WeakPolarHBondContact CA-O 3.38Å; K275-A301 PolarHBondContact N-O 2.93Å; K275-A301 PolarHBondContact O-N 2.7Å; A301-S310 WeakPolarHBondContact CA-O 3.3Å; A301-V311 HydrophobicContact CB-CG2 4.18Å; A301-I334 HydrophobicContact CB-CD1 4.02Å; A301-I334 HydrophobicContact CB-CG2 4.27Å; A301-W336 HydrophobicContact CB-CZ2 3.84Å; A301-M343 HydrophobicContact CB-CE 3.94Å; A301-M343 HydrophobicContact CB-SD 3.51Å; A301-M343 VanDerWaalsContact CB-SD 3.51Å |
| 302 | V | 98.6 | Very high | 90.8 | Very high | 0 Ų | 0 | 34.9 Ų | 34.9 | 0% | 0 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.4 | 120.1 | -175 | -177.8 | 0 | 0 | 0 | 0 | 108.3 | A250 F264 V271 V273 V274 L309 S310 | A250-V302 HydrophobicContact CB-CG1 4.29Å; F264-V302 HydrophobicContact CD2-CG2 3.85Å; F264-V302 HydrophobicContact CE2-CG2 4.44Å; F264-V302 HydrophobicContact CG-CG2 4.47Å; V271-V302 HydrophobicContact CB-CG1 4.45Å; V271-V302 HydrophobicContact CG1-CG1 3.48Å; V271-V302 VanDerWaalsContact CG1-CG1 3.48Å; V271-V302 HydrophobicContact CG2-CG1 4.02Å; V273-V302 WeakPolarHBondContact O-CA 3.27Å; V274-V302 HydrophobicContact CG1-CG2 4.33Å; V274-V302 HydrophobicContact CG2-CG1 4.26Å; V274-V302 HydrophobicContact CG2-CG2 4.3Å; V302-L309 CarbonylContact O-C 3.55Å; V302-L309 WeakPolarHBondContact O-CA 3.37Å; V302-S310 PolarHBondContact N-O 2.87Å; V302-S310 PolarHBondContact O-N 3.4Å |
| 303 | G | 97.9 | Very high | 92.8 | Very high | 0 Ų | 0 | 27.4 Ų | 27.4 | 0% | 0 | 15% | 0.152 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.2 | 144.3 | 179.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | V271 T272 V273 | V271-G303 VanDerWaalsContact CG1-O 3.31Å; V271-G303 WeakPolarHBondContact CG1-O 3.35Å; T272-G303 PolarHBondContact N-O 3.28Å; T272-G303 PolarHBondContact OG1-O 3.28Å; T272-G303 VanDerWaalsContact OG1-O 3.1Å; V273-G303 PolarHBondContact N-O 3.19Å; V273-G303 PolarHBondContact O-N 3.5Å |
| 304 | S | 96.7 | Very high | 94.4 | Very high | 0 Ų | 0 | 24.8 Ų | 24.8 | 0% | 0 | 13% | 0.134 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.1 | 160.3 | -171.4 | 173.2 | 0 | 0 | 0 | 0 | 115.3 | H267 K269 A270 D306 R307 S308 I331 | H267-S304 VanDerWaalsContact ND1-CB 3.33Å; H267-S304 WeakPolarHBondContact ND1-CB 3.49Å; K269-S304 PolarHBondContact O-OG 3.39Å; A270-S304 PolarHBondContact O-OG 3.38Å; A270-S304 VanDerWaalsContact O-OG 3.08Å; S304-D306 VanDerWaalsContact CB-OD1 3.27Å; S304-D306 WeakPolarHBondContact CB-OD1 3.31Å; S304-D306 PolarHBondContact O-N 3.07Å; S304-D306 VanDerWaalsContact O-N 3.14Å; S304-D306 VanDerWaalsContact OG-CG 3.29Å; S304-D306 PolarHBondContact OG-N 3.45Å; S304-D306 VanDerWaalsContact OG-N 3.11Å; S304-D306 PolarHBondContact OG-OD1 2.9Å; S304-R307 PolarHBondContact O-N 3.36Å; S304-R307 VanDerWaalsContact O-N 3.09Å; S304-S308 PolarHBondContact N-O 3.29Å; S304-I331 PolarHBondContact O-N 3.4Å |
| 305 | K | 96.4 | Very high | 95.4 | Very high | 89 Ų | 89 | 25.6 Ų | 25.6 | 39% | 0.387 | 14% | 0.139 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -59.4 | -11.1 | 166 | -161.6 | 174.8 | -171.5 | 174.4 | 0 | 113 | T222 K269 A270 T272 R307 S330 | T222-K305 PolarHBondContact O-NZ 3.12Å; K269-K305 HydrophobicContact CB-CB 4.07Å; A270-K305 HydrophobicContact CB-CD 4.43Å; A270-K305 WeakPolarHBondContact O-CB 3.46Å; A270-K305 PolarHBondContact O-N 3.43Å; T272-K305 HydrophobicContact CG2-CB 4.2Å; K305-R307 VanDerWaalsContact C-N 3.33Å; K305-S330 WeakPolarHBondContact CG-OG 3.46Å |
| 306 | D | 95.3 | Very high | 95.9 | Very high | 18 Ų | 18 | 25.5 Ų | 25.5 | 10% | 0.096 | 13% | 0.132 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -85.9 | 6.2 | 171.6 | 72.9 | 14 | 0 | 0 | 0 | 115 | H267 R268 K269 S304 S308 | H267-D306 WeakPolarHBondContact CA-OD2 3.47Å; H267-D306 WeakPolarHBondContact CB-OD2 3.45Å; H267-D306 IonicContact CG-OD2 2.76Å; H267-D306 IonicContact ND1-OD1 2.81Å; H267-D306 IonicContact ND1-OD2 2.73Å; H267-D306 PolarHBondContact ND1-OD2 3.08Å; R268-D306 HydrophobicContact CB-CB 4.29Å; R268-D306 PolarHBondContact N-OD2 3.17Å; K269-D306 HydrophobicContact CB-CB 3.97Å; K269-D306 HydrophobicContact CD-CB 4.18Å; K269-D306 HydrophobicContact CG-CB 3.98Å; S304-D306 VanDerWaalsContact CB-OD1 3.27Å; S304-D306 WeakPolarHBondContact CB-OD1 3.31Å; S304-D306 PolarHBondContact O-N 3.07Å; S304-D306 VanDerWaalsContact O-N 3.14Å; S304-D306 VanDerWaalsContact OG-CG 3.29Å; S304-D306 PolarHBondContact OG-N 3.45Å; S304-D306 VanDerWaalsContact OG-N 3.11Å; S304-D306 PolarHBondContact OG-OD1 2.9Å; D306-S308 VanDerWaalsContact CG-OG 3.23Å; D306-S308 PolarHBondContact O-N 2.93Å; D306-S308 WeakPolarHBondContact OD1-CA 3.29Å; D306-S308 VanDerWaalsContact OD1-CB 3.29Å; D306-S308 WeakPolarHBondContact OD1-CB 3.33Å; D306-S308 PolarHBondContact OD1-N 2.86Å; D306-S308 PolarHBondContact OD1-OG 3.37Å; D306-S308 PolarHBondContact OD2-OG 2.68Å |
| 307 | R | 96.7 | Very high | 95.8 | Very high | 95 Ų | 95 | 32.5 Ų | 32.5 | 36% | 0.358 | 16% | 0.156 | S | C | . | . | S | Bend | trans | 71 | -0.7 | -177.3 | -48.9 | 154.8 | 164.6 | 178.5 | -10.5 | 115.3 | S304 K305 D325 L326 F327 D328 K329 | S304-R307 PolarHBondContact O-N 3.36Å; S304-R307 VanDerWaalsContact O-N 3.09Å; K305-R307 VanDerWaalsContact C-N 3.33Å; R307-D325 WeakPolarHBondContact CD-OD1 3.3Å; R307-D325 IonicContact CZ-OD1 3.73Å; R307-D325 IonicContact NE-OD1 2.73Å; R307-D325 IonicContact NH1-OD1 3.3Å; R307-D325 PolarHBondContact NH1-OD1 2.68Å; R307-L326 PolarHBondContact O-N 3.31Å; R307-F327 WeakPolarHBondContact CB-O 3.12Å; R307-F327 WeakPolarHBondContact CD-O 3.43Å; R307-F327 VanDerWaalsContact CG-O 3.24Å; R307-F327 WeakPolarHBondContact CG-O 3.35Å; R307-D328 VanDerWaalsContact CZ-O 3.24Å; R307-D328 PolarHBondContact NE-O 2.91Å; R307-D328 PolarHBondContact NH2-O 2.76Å; R307-K329 WeakPolarHBondContact CG-O 3.24Å |
| 308 | S | 96.9 | Very high | 95.7 | Very high | 0 Ų | 0 | 41.1 Ų | 41.1 | 0% | 0 | 19% | 0.189 | C | C | . | . | trans | -94.8 | 147.1 | 179.9 | 72.3 | 0 | 0 | 0 | 0 | 113 | H267 S304 D306 I323 H324 I331 | H267-S308 PolarHBondContact CE1-O 2.95Å; H267-S308 VanDerWaalsContact CE1-O 3.31Å; H267-S308 PolarHBondContact CE1-OG 2.82Å; H267-S308 VanDerWaalsContact CE1-OG 3.32Å; H267-S308 PolarHBondContact ND1-OG 2.85Å; S304-S308 PolarHBondContact N-O 3.29Å; D306-S308 VanDerWaalsContact CG-OG 3.23Å; D306-S308 PolarHBondContact O-N 2.93Å; D306-S308 WeakPolarHBondContact OD1-CA 3.29Å; D306-S308 VanDerWaalsContact OD1-CB 3.29Å; D306-S308 WeakPolarHBondContact OD1-CB 3.33Å; D306-S308 PolarHBondContact OD1-N 2.86Å; D306-S308 PolarHBondContact OD1-OG 3.37Å; D306-S308 PolarHBondContact OD2-OG 2.68Å; S308-I323 CarbonylContact C-O 3.6Å; S308-I323 WeakPolarHBondContact CA-O 3.44Å; S308-I323 WeakPolarHBondContact CB-O 3.09Å; S308-H324 VanDerWaalsContact CB-ND1 3.3Å; S308-H324 WeakPolarHBondContact CB-ND1 3.42Å; S308-I331 WeakPolarHBondContact O-CD1 3.46Å | ||
| 309 | L | 98.2 | Very high | 95.7 | Very high | 2 Ų | 2 | 43.2 Ų | 43.2 | 1% | 0.01 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113 | 133.9 | 174.6 | -178.7 | 78.1 | 0 | 0 | 0 | 108.1 | V302 V322 I323 L326 I331 I334 M343 V345 L355 | V302-L309 CarbonylContact O-C 3.55Å; V302-L309 WeakPolarHBondContact O-CA 3.37Å; L309-V322 CarbonylContact O-C 3.31Å; L309-V322 WeakPolarHBondContact O-CA 3.39Å; L309-I323 PolarHBondContact N-O 3.31Å; L309-I323 PolarHBondContact O-N 2.79Å; L309-L326 HydrophobicContact CB-CD2 4.09Å; L309-L326 HydrophobicContact CD2-CD2 4.14Å; L309-I331 HydrophobicContact CB-CD1 3.88Å; L309-I331 HydrophobicContact CD1-CD1 4.31Å; L309-I334 HydrophobicContact CD1-CD1 3.68Å; L309-M343 HydrophobicContact CD1-CE 4.5Å; L309-M343 HydrophobicContact CD2-CE 3.89Å; L309-V345 HydrophobicContact CD1-CG2 4.27Å; L309-V345 HydrophobicContact CD2-CG2 4.15Å; L309-L355 HydrophobicContact CD2-CD2 3.32Å |
| 310 | S | 98.1 | Very high | 95.6 | Very high | 4 Ų | 4 | 46 Ų | 46 | 3% | 0.028 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.3 | 145.6 | 167.8 | 62.9 | 0 | 0 | 0 | 0 | 110.9 | H267 A301 V302 W312 V321 | H267-S310 PolarHBondContact NE2-OG 3.04Å; A301-S310 WeakPolarHBondContact CA-O 3.3Å; V302-S310 PolarHBondContact N-O 2.87Å; V302-S310 PolarHBondContact O-N 3.4Å; S310-W312 PolarHBondContact OG-NE1 2.56Å; S310-V321 WeakPolarHBondContact CA-O 3.48Å |
| 311 | V | 98.1 | Very high | 95.5 | Very high | 1 Ų | 1 | 47.7 Ų | 47.7 | 1% | 0.006 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.4 | 132.5 | 176.4 | -177.9 | 0 | 0 | 0 | 0 | 108.9 | C300 A301 P319 L320 V321 W336 M343 F357 | C300-V311 CarbonylContact O-C 3.57Å; C300-V311 WeakPolarHBondContact O-CA 3.24Å; A301-V311 HydrophobicContact CB-CG2 4.18Å; V311-P319 CarbonylContact O-C 3.56Å; V311-P319 VanDerWaalsContact O-CA 3.31Å; V311-P319 WeakPolarHBondContact O-CA 3.22Å; V311-P319 WeakPolarHBondContact O-CB 3.43Å; V311-L320 PolarHBondContact O-N 2.92Å; V311-V321 HydrophobicContact CB-CG1 3.86Å; V311-V321 HydrophobicContact CG2-CG1 4.03Å; V311-V321 PolarHBondContact N-O 2.93Å; V311-V321 PolarHBondContact O-N 3.18Å; V311-W336 HydrophobicContact CG1-CH2 4.37Å; V311-M343 HydrophobicContact CG2-CE 4.36Å; V311-F357 HydrophobicContact CG2-CZ 4.13Å |
| 312 | W | 97.6 | Very high | 95.4 | Very high | 27 Ų | 27 | 50.7 Ų | 50.7 | 10% | 0.102 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.6 | 147.1 | -171 | -59.9 | 77.6 | 0 | 0 | 0 | 110.3 | F264 V265 C299 C300 S310 P319 | F264-W312 HydrophobicContact CB-CD2 4.28Å; F264-W312 HydrophobicContact CB-CH2 4.39Å; F264-W312 HydrophobicContact CB-CZ2 3.89Å; F264-W312 HydrophobicContact CD1-CB 4.14Å; F264-W312 AromaticContact CD1-CD2 3.35Å; F264-W312 HydrophobicContact CD1-CD2 3.35Å; F264-W312 AromaticContact CD1-CE2 3.82Å; F264-W312 AromaticContact CD1-CE3 3.47Å; F264-W312 HydrophobicContact CD1-CE3 3.47Å; F264-W312 VanDerWaalsContact CD1-CE3 3.47Å; F264-W312 AromaticContact CD1-CG 3.67Å; F264-W312 HydrophobicContact CD1-CG 3.67Å; F264-W312 HydrophobicContact CD1-CH2 4.39Å; F264-W312 HydrophobicContact CD1-CZ2 4.33Å; F264-W312 AromaticContact CD1-CZ3 3.99Å; F264-W312 HydrophobicContact CD1-CZ3 3.99Å; F264-W312 HydrophobicContact CE1-CB 3.69Å; F264-W312 AromaticContact CE1-CD2 3.83Å; F264-W312 HydrophobicContact CE1-CD2 3.83Å; F264-W312 AromaticContact CE1-CE3 3.9Å; F264-W312 HydrophobicContact CE1-CE3 3.9Å; F264-W312 AromaticContact CE1-CG 3.76Å; F264-W312 HydrophobicContact CE1-CG 3.76Å; F264-W312 AromaticContact CG-CD2 3.96Å; F264-W312 HydrophobicContact CG-CD2 3.96Å; F264-W312 AromaticContact CG-CE2 3.98Å; F264-W312 HydrophobicContact CG-CE3 4.42Å; F264-W312 HydrophobicContact CG-CG 4.11Å; F264-W312 HydrophobicContact CG-CZ2 4.46Å; F264-W312 HydrophobicContact CZ-CB 3.98Å; F264-W312 HydrophobicContact CZ-CG 4.28Å; V265-W312 WeakPolarHBondContact O-CH2 3.46Å; C299-W312 CarbonylContact C-O 3.59Å; C299-W312 WeakPolarHBondContact CA-O 3.35Å; C300-W312 PolarHBondContact N-O 2.83Å; C300-W312 PolarHBondContact O-N 2.9Å; S310-W312 PolarHBondContact OG-NE1 2.56Å; W312-P319 HydrophobicContact CD2-CB 3.92Å; W312-P319 HydrophobicContact CE3-CB 4.26Å; W312-P319 HydrophobicContact CG-CB 4.36Å; W312-P319 HydrophobicContact CH2-CB 4.49Å; W312-P319 HydrophobicContact CH2-CG 4.29Å; W312-P319 HydrophobicContact CZ2-CB 4.13Å; W312-P319 HydrophobicContact CZ2-CG 4.19Å |
| 313 | L | 95 | Very high | 95.4 | Very high | 7 Ų | 7 | 52.2 Ų | 52.2 | 4% | 0.037 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116 | 134.5 | 168.7 | -57.5 | -179.2 | 0 | 0 | 0 | 107.9 | Y297 C298 C299 S315 L316 L320 L362 | Y297-L313 HydrophobicContact CD2-CB 4.12Å; Y297-L313 HydrophobicContact CD2-CD1 4.44Å; Y297-L313 HydrophobicContact CD2-CD2 4.28Å; Y297-L313 HydrophobicContact CE2-CB 4.38Å; Y297-L313 HydrophobicContact CE2-CD1 3.87Å; Y297-L313 HydrophobicContact CE2-CD2 4.1Å; Y297-L313 HydrophobicContact CE2-CG 4.35Å; C298-L313 CarbonylContact O-C 3.54Å; C298-L313 WeakPolarHBondContact O-CA 3.25Å; C299-L313 HydrophobicContact CB-CD2 3.6Å; L313-S315 PolarHBondContact O-N 3.32Å; L313-L316 HydrophobicContact CB-CB 4.45Å; L313-L316 HydrophobicContact CB-CD1 4.13Å; L313-L316 HydrophobicContact CB-CG 4.08Å; L313-L316 HydrophobicContact CD1-CD1 3.9Å; L313-L316 HydrophobicContact CD1-CG 4.41Å; L313-L316 HydrophobicContact CG-CD1 4.23Å; L313-L316 PolarHBondContact O-N 3.3Å; L313-L320 HydrophobicContact CD1-CD1 4.44Å; L313-L320 HydrophobicContact CD1-CD2 4.26Å; L313-L320 HydrophobicContact CG-CB 4.47Å; L313-L320 HydrophobicContact CG-CD2 4.36Å; L313-L362 HydrophobicContact CD2-CD2 4.07Å |
| 314 | T | 91.7 | Very high | 95.3 | Very high | 67 Ų | 67 | 57 Ų | 57 | 41% | 0.411 | 28% | 0.275 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -65.4 | -12.9 | -179.4 | 59.4 | 0 | 0 | 0 | 0 | 113.5 | Y297 C298 | Y297-T314 WeakPolarHBondContact CB-OG1 3.48Å; C298-T314 HydrophobicContact CB-CG2 4.09Å; C298-T314 PolarHBondContact N-OG1 2.96Å; C298-T314 PolarHBondContact O-N 2.84Å |
| 315 | S | 89.6 | Confident | 95.2 | Very high | 57 Ų | 57 | 61.8 Ų | 61.8 | 40% | 0.399 | 30% | 0.3 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -81.8 | -5.8 | 170.7 | 53.6 | 0 | 0 | 0 | 0 | 114.7 | Y297 L313 | Y297-S315 WeakPolarHBondContact CD1-OG 3.22Å; Y297-S315 WeakPolarHBondContact CD2-OG 3.44Å; L313-S315 PolarHBondContact O-N 3.32Å |
| 316 | L | 90.4 | Very high | 95.2 | Very high | 85 Ų | 85 | 58.2 Ų | 58.2 | 45% | 0.445 | 29% | 0.286 | S | S | . | . | trans | -119.1 | 143.9 | -176 | -62 | -177.8 | 0 | 0 | 0 | 112.6 | L313 R318 L320 | L313-L316 HydrophobicContact CB-CB 4.45Å; L313-L316 HydrophobicContact CB-CD1 4.13Å; L313-L316 HydrophobicContact CB-CG 4.08Å; L313-L316 HydrophobicContact CD1-CD1 3.9Å; L313-L316 HydrophobicContact CD1-CG 4.41Å; L313-L316 HydrophobicContact CG-CD1 4.23Å; L313-L316 PolarHBondContact O-N 3.3Å; L316-R318 VanDerWaalsContact C-N 3.28Å; L316-R318 WeakPolarHBondContact CB-O 3.46Å; L316-R318 PolarHBondContact O-N 2.99Å; L316-L320 HydrophobicContact CD1-CD1 4.45Å | ||
| 317 | K | 89.9 | Confident | 95.3 | Very high | 213 Ų | 213 | 57.5 Ų | 57.5 | 93% | 0.926 | 28% | 0.282 | S | S | * | . | S | Bend | trans | -85.7 | 8 | 175 | -61.5 | -170 | 177.4 | -172.1 | 0 | 114.2 | ||
| 318 | R | 92.8 | Very high | 95.2 | Very high | 198 Ų | 198 | 58.6 Ų | 58.6 | 75% | 0.747 | 29% | 0.294 | S | S | * | . | S | Bend | trans | -148.8 | 155.6 | -175.3 | -73.1 | -174.5 | -179.2 | -92.2 | 0.8 | 108.3 | L316 | L316-R318 VanDerWaalsContact C-N 3.28Å; L316-R318 WeakPolarHBondContact CB-O 3.46Å; L316-R318 PolarHBondContact O-N 2.99Å |
| 319 | P | 95.8 | Very high | 95.2 | Very high | 43 Ų | 43 | 63 Ų | 63 | 28% | 0.279 | 31% | 0.314 | S | S | . | . | trans | -61.1 | 145.7 | 170.9 | 26.9 | -33.1 | 0 | 0 | 0 | 110.2 | V311 W312 V322 | V311-P319 CarbonylContact O-C 3.56Å; V311-P319 VanDerWaalsContact O-CA 3.31Å; V311-P319 WeakPolarHBondContact O-CA 3.22Å; V311-P319 WeakPolarHBondContact O-CB 3.43Å; W312-P319 HydrophobicContact CD2-CB 3.92Å; W312-P319 HydrophobicContact CE3-CB 4.26Å; W312-P319 HydrophobicContact CG-CB 4.36Å; W312-P319 HydrophobicContact CH2-CB 4.49Å; W312-P319 HydrophobicContact CH2-CG 4.29Å; W312-P319 HydrophobicContact CZ2-CB 4.13Å; W312-P319 HydrophobicContact CZ2-CG 4.19Å; P319-V322 HydrophobicContact CB-CG2 3.81Å; P319-V322 HydrophobicContact CG-CG2 3.44Å; P319-V322 VanDerWaalsContact CG-CG2 3.44Å | ||
| 320 | L | 95.3 | Very high | 95.1 | Very high | 59 Ų | 59 | 63.8 Ų | 63.8 | 31% | 0.309 | 32% | 0.319 | S | S | . | . | S | Bend | trans | -66.3 | -41.3 | 171.2 | 178.3 | 66.4 | 0 | 0 | 0 | 110.7 | V311 L313 L316 L362 | V311-L320 PolarHBondContact O-N 2.92Å; L313-L320 HydrophobicContact CD1-CD1 4.44Å; L313-L320 HydrophobicContact CD1-CD2 4.26Å; L313-L320 HydrophobicContact CG-CB 4.47Å; L313-L320 HydrophobicContact CG-CD2 4.36Å; L316-L320 HydrophobicContact CD1-CD1 4.45Å; L320-L362 HydrophobicContact CD2-CD2 3.71Å |
| 321 | V | 95.8 | Very high | 95.1 | Very high | 37 Ų | 37 | 63.6 Ų | 63.6 | 22% | 0.224 | 32% | 0.318 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.6 | 147.9 | 175.6 | 60.3 | 0 | 0 | 0 | 0 | 110.3 | M1 S310 V311 I323 F357 | M1-V321 HydrophobicContact CE-CG1 4.44Å; M1-V321 HydrophobicContact SD-CB 4.49Å; M1-V321 HydrophobicContact SD-CG1 4.08Å; M1-V321 HydrophobicContact SD-CG2 4.14Å; S310-V321 WeakPolarHBondContact CA-O 3.48Å; V311-V321 HydrophobicContact CB-CG1 3.86Å; V311-V321 HydrophobicContact CG2-CG1 4.03Å; V311-V321 PolarHBondContact N-O 2.93Å; V311-V321 PolarHBondContact O-N 3.18Å; V321-I323 HydrophobicContact CG2-CG1 3.99Å; V321-F357 HydrophobicContact CG1-CE1 4.09Å; V321-F357 HydrophobicContact CG1-CZ 4.28Å |
| 322 | V | 97 | Very high | 95.1 | Very high | 63 Ų | 63 | 63.7 Ų | 63.7 | 38% | 0.382 | 32% | 0.318 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.2 | 129.5 | 167.2 | -174.3 | 0 | 0 | 0 | 0 | 107.7 | L309 P319 | L309-V322 CarbonylContact O-C 3.31Å; L309-V322 WeakPolarHBondContact O-CA 3.39Å; P319-V322 HydrophobicContact CB-CG2 3.81Å; P319-V322 HydrophobicContact CG-CG2 3.44Å; P319-V322 VanDerWaalsContact CG-CG2 3.44Å |
| 323 | I | 97.4 | Very high | 95.1 | Very high | 31 Ų | 31 | 62.4 Ų | 62.4 | 16% | 0.159 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.4 | 114.6 | 177.1 | -52.1 | -179.8 | 0 | 0 | 0 | 107.2 | M1 L3 S308 L309 V321 L326 L355 | M1-I323 HydrophobicContact CE-CD1 3.76Å; L3-I323 HydrophobicContact CD2-CD1 4.5Å; S308-I323 CarbonylContact C-O 3.6Å; S308-I323 WeakPolarHBondContact CA-O 3.44Å; S308-I323 WeakPolarHBondContact CB-O 3.09Å; L309-I323 PolarHBondContact N-O 3.31Å; L309-I323 PolarHBondContact O-N 2.79Å; V321-I323 HydrophobicContact CG2-CG1 3.99Å; I323-L326 HydrophobicContact CG2-CB 4.1Å; I323-L326 HydrophobicContact CG2-CD1 4.27Å; I323-L355 HydrophobicContact CD1-CD2 4.34Å |
| 324 | H | 96.6 | Very high | 95.3 | Very high | 100 Ų | 100 | 62 Ų | 62 | 46% | 0.463 | 31% | 0.312 | S | S | . | . | S | Bend | trans | -89.1 | 152.6 | 173.8 | -62.8 | -59.4 | 0 | 0 | 0 | 111.2 | S308 L326 | S308-H324 VanDerWaalsContact CB-ND1 3.3Å; S308-H324 WeakPolarHBondContact CB-ND1 3.42Å; H324-L326 PolarHBondContact O-N 2.95Å; H324-L326 VanDerWaalsContact O-N 3.12Å |
| 325 | D | 95 | Very high | 95.6 | Very high | 101 Ų | 101 | 59.3 Ų | 59.3 | 54% | 0.54 | 30% | 0.296 | S | S | . | . | S | Bend | trans | 45.4 | 42.5 | 178.2 | -64.1 | -83.4 | 0 | 0 | 0 | 114.5 | R307 F327 | R307-D325 WeakPolarHBondContact CD-OD1 3.3Å; R307-D325 IonicContact CZ-OD1 3.73Å; R307-D325 IonicContact NE-OD1 2.73Å; R307-D325 IonicContact NH1-OD1 3.3Å; R307-D325 PolarHBondContact NH1-OD1 2.68Å; D325-F327 PolarHBondContact O-N 2.84Å |
| 326 | L | 96.2 | Very high | 96 | Very high | 14 Ų | 14 | 57.5 Ų | 57.5 | 7% | 0.073 | 28% | 0.28 | C | S | . | . | S | Bend | trans | -62.4 | -21.3 | 174.2 | 178.4 | 60.3 | 0 | 0 | 0 | 112.4 | L3 K5 R307 L309 I323 H324 A353 | L3-L326 HydrophobicContact CD1-CD1 3.83Å; L3-L326 HydrophobicContact CD2-CD1 3.85Å; L3-L326 HydrophobicContact CG-CD1 4.45Å; K5-L326 PolarHBondContact NZ-O 3.05Å; R307-L326 PolarHBondContact O-N 3.31Å; L309-L326 HydrophobicContact CB-CD2 4.09Å; L309-L326 HydrophobicContact CD2-CD2 4.14Å; I323-L326 HydrophobicContact CG2-CB 4.1Å; I323-L326 HydrophobicContact CG2-CD1 4.27Å; H324-L326 PolarHBondContact O-N 2.95Å; H324-L326 VanDerWaalsContact O-N 3.12Å; L326-A353 HydrophobicContact CD1-CB 4.11Å; L326-A353 HydrophobicContact CG-CB 4.48Å |
| 327 | F | 96.5 | Very high | 96.2 | Very high | 4 Ų | 4 | 54 Ų | 54 | 2% | 0.018 | 26% | 0.262 | C | S | . | . | S | Bend | trans | -146.2 | 153.8 | -171.1 | -73 | -70.8 | 0 | 0 | 0 | 110.7 | R307 D325 K329 I331 V345 D349 T351 A353 | R307-F327 WeakPolarHBondContact CB-O 3.12Å; R307-F327 WeakPolarHBondContact CD-O 3.43Å; R307-F327 VanDerWaalsContact CG-O 3.24Å; R307-F327 WeakPolarHBondContact CG-O 3.35Å; D325-F327 PolarHBondContact O-N 2.84Å; F327-K329 VanDerWaalsContact C-N 3.26Å; F327-K329 VanDerWaalsContact CB-O 3.31Å; F327-K329 WeakPolarHBondContact CB-O 3.18Å; F327-K329 PolarHBondContact O-N 2.9Å; F327-I331 HydrophobicContact CD2-CD1 4.3Å; F327-I331 HydrophobicContact CD2-CG1 3.68Å; F327-I331 HydrophobicContact CE2-CG1 4.1Å; F327-V345 HydrophobicContact CE2-CB 4.14Å; F327-V345 HydrophobicContact CE2-CG1 3.71Å; F327-V345 HydrophobicContact CZ-CB 4.38Å; F327-V345 HydrophobicContact CZ-CG1 4.32Å; F327-V345 WeakPolarHBondContact CZ-O 3.33Å; F327-D349 VanDerWaalsContact CB-OD2 3.25Å; F327-D349 WeakPolarHBondContact CB-OD2 3.3Å; F327-D349 WeakPolarHBondContact CD1-OD2 3.43Å; F327-T351 WeakPolarHBondContact CD1-OG1 3.43Å; F327-T351 WeakPolarHBondContact CE1-OG1 3.27Å; F327-A353 HydrophobicContact CE1-CB 4.35Å; F327-A353 HydrophobicContact CE2-CB 4.31Å; F327-A353 HydrophobicContact CZ-CB 3.67Å |
| 328 | D | 95.4 | Very high | 96.1 | Very high | 117 Ų | 117 | 48.6 Ų | 48.6 | 63% | 0.626 | 24% | 0.243 | S | C | * | . | S | Bend | trans | -76.9 | -19.7 | 178.6 | -67.5 | -61.3 | 0 | 0 | 0 | 112 | R307 D349 | R307-D328 VanDerWaalsContact CZ-O 3.24Å; R307-D328 PolarHBondContact NE-O 2.91Å; R307-D328 PolarHBondContact NH2-O 2.76Å; D328-D349 HydrophobicContact CB-CB 4.2Å; D328-D349 PolarHBondContact N-OD2 3.4Å |
| 329 | K | 96.4 | Very high | 95.9 | Very high | 92 Ų | 92 | 43.4 Ų | 43.4 | 40% | 0.4 | 23% | 0.233 | S | C | . | . | S | Bend | trans | -131.6 | -179.8 | 175.2 | -57.2 | -173 | -145.6 | 154.5 | 0 | 111.3 | R307 F327 S347 M348 D349 | R307-K329 WeakPolarHBondContact CG-O 3.24Å; F327-K329 VanDerWaalsContact C-N 3.26Å; F327-K329 VanDerWaalsContact CB-O 3.31Å; F327-K329 WeakPolarHBondContact CB-O 3.18Å; F327-K329 PolarHBondContact O-N 2.9Å; K329-S347 PolarHBondContact O-OG 2.86Å; K329-M348 HydrophobicContact CB-CB 3.99Å; K329-M348 HydrophobicContact CD-CB 4.33Å; K329-M348 HydrophobicContact CD-CG 4.15Å; K329-M348 WeakPolarHBondContact CD-O 3.08Å; K329-M348 PolarHBondContact NZ-O 3.1Å; K329-D349 HydrophobicContact CB-CB 4.21Å; K329-D349 HydrophobicContact CD-CB 4.39Å; K329-D349 HydrophobicContact CG-CB 4.07Å; K329-D349 PolarHBondContact N-OD2 2.8Å |
| 330 | S | 96.6 | Very high | 95.7 | Very high | 19 Ų | 19 | 41.4 Ų | 41.4 | 13% | 0.133 | 22% | 0.22 | C | C | . | . | trans | -54.4 | 138.1 | -178.8 | -49.3 | 0 | 0 | 0 | 0 | 112.9 | K305 S347 M348 | K305-S330 WeakPolarHBondContact CG-OG 3.46Å; S330-S347 WeakPolarHBondContact O-CA 3.46Å; S330-S347 PolarHBondContact O-OG 3.21Å; S330-M348 PolarHBondContact O-N 3.22Å; S330-M348 VanDerWaalsContact O-N 3.1Å | ||
| 331 | I | 98.1 | Very high | 95.7 | Very high | 0 Ų | 0 | 40.4 Ų | 40.4 | 0% | 0 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -65.2 | 136.5 | 164.5 | -65.6 | 170.4 | 0 | 0 | 0 | 108.3 | T272 V273 S304 S308 L309 F327 I334 V345 | T272-I331 WeakPolarHBondContact CB-O 3.27Å; T272-I331 PolarHBondContact OG1-O 3.32Å; V273-I331 HydrophobicContact CG1-CG2 3.7Å; S304-I331 PolarHBondContact O-N 3.4Å; S308-I331 WeakPolarHBondContact O-CD1 3.46Å; L309-I331 HydrophobicContact CB-CD1 3.88Å; L309-I331 HydrophobicContact CD1-CD1 4.31Å; F327-I331 HydrophobicContact CD2-CD1 4.3Å; F327-I331 HydrophobicContact CD2-CG1 3.68Å; F327-I331 HydrophobicContact CE2-CG1 4.1Å; I331-I334 HydrophobicContact CG2-CG1 4.44Å; I331-V345 HydrophobicContact CB-CG1 4.43Å; I331-V345 HydrophobicContact CD1-CG1 4.17Å; I331-V345 HydrophobicContact CG1-CG1 4.12Å; I331-V345 HydrophobicContact CG2-CG1 3.49Å; I331-V345 VanDerWaalsContact CG2-CG1 3.49Å |
| 332 | M | 97.8 | Very high | 95.7 | Very high | 3 Ų | 3 | 38.7 Ų | 38.7 | 2% | 0.015 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.8 | -41.3 | -174.8 | -63.6 | -51.8 | -51 | 0 | 0 | 112.8 | F17 H224 V225 C346 M348 | F17-M332 HydrophobicContact CD1-CE 4.23Å; F17-M332 HydrophobicContact CD1-CG 4.49Å; F17-M332 WeakPolarHBondContact O-CB 3.18Å; H224-M332 HydrophobicContact CB-CE 4.22Å; V225-M332 HydrophobicContact CG1-CE 4.15Å; V225-M332 HydrophobicContact CG2-CE 3.73Å; M332-C346 PolarHBondContact N-O 2.68Å; M332-M348 HydrophobicContact CE-CE 4.18Å; M332-M348 HydrophobicContact CG-CB 3.96Å; M332-M348 HydrophobicContact SD-CB 4.02Å; M332-M348 HydrophobicContact SD-CE 3.68Å |
| 333 | D | 98.5 | Very high | 95.7 | Very high | 0 Ų | 0 | 35.7 Ų | 35.7 | 0% | 0 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -154.4 | 161.1 | -175.8 | -160.7 | 16.9 | 0 | 0 | 0 | 111.6 | S18 V19 R77 C346 | S18-D333 VanDerWaalsContact CA-OD2 3.32Å; S18-D333 WeakPolarHBondContact CA-OD2 3.48Å; S18-D333 WeakPolarHBondContact CB-OD2 3.11Å; S18-D333 PolarHBondContact OG-OD2 3.12Å; V19-D333 HydrophobicContact CG1-CB 4.35Å; V19-D333 PolarHBondContact N-OD2 2.94Å; V19-D333 VanDerWaalsContact N-OD2 3.09Å; R77-D333 IonicContact CZ-OD1 3.43Å; R77-D333 IonicContact CZ-OD2 3.24Å; R77-D333 VanDerWaalsContact CZ-OD2 3.28Å; R77-D333 IonicContact NH1-OD1 3.57Å; R77-D333 IonicContact NH1-OD2 3.16Å; R77-D333 PolarHBondContact NH1-OD2 3.38Å; R77-D333 VanDerWaalsContact NH1-OD2 3.07Å; R77-D333 IonicContact NH2-OD1 2.64Å; R77-D333 PolarHBondContact NH2-OD1 3.44Å; R77-D333 IonicContact NH2-OD2 3.61Å; R77-D333 PolarHBondContact NH2-OD2 3.21Å; D333-C346 PolarHBondContact O-N 2.88Å |
| 334 | I | 98.6 | Very high | 95.7 | Very high | 0 Ų | 0 | 34.2 Ų | 34.2 | 0% | 0 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.9 | 143.2 | -176.6 | -64.6 | 173.7 | 0 | 0 | 0 | 108.1 | V273 K275 A301 L309 I331 M343 L344 V345 | V273-I334 HydrophobicContact CG1-CD1 3.82Å; V273-I334 HydrophobicContact CG1-CG1 3.87Å; V273-I334 HydrophobicContact CG2-CB 4.06Å; V273-I334 HydrophobicContact CG2-CD1 4.14Å; V273-I334 HydrophobicContact CG2-CG1 4.03Å; K275-I334 HydrophobicContact CB-CB 4.08Å; K275-I334 HydrophobicContact CB-CG2 3.87Å; K275-I334 WeakPolarHBondContact CE-O 3.32Å; K275-I334 HydrophobicContact CG-CB 3.77Å; K275-I334 HydrophobicContact CG-CG2 4.09Å; K275-I334 WeakPolarHBondContact CG-O 2.98Å; A301-I334 HydrophobicContact CB-CD1 4.02Å; A301-I334 HydrophobicContact CB-CG2 4.27Å; L309-I334 HydrophobicContact CD1-CD1 3.68Å; I331-I334 HydrophobicContact CG2-CG1 4.44Å; I334-M343 HydrophobicContact CG2-CG 3.75Å; I334-M343 HydrophobicContact CG2-SD 3.39Å; I334-M343 WeakPolarHBondContact CG2-SD 3.44Å; I334-L344 WeakPolarHBondContact CA-O 3.3Å; I334-V345 HydrophobicContact CG1-CG1 4.09Å; I334-V345 HydrophobicContact CG1-CG2 4.23Å |
| 335 | S | 98.4 | Very high | 95.8 | Very high | 10 Ų | 10 | 29.4 Ų | 29.4 | 7% | 0.07 | 16% | 0.157 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.7 | 130.5 | 171.4 | -166.3 | 0 | 0 | 0 | 0 | 110.9 | V19 D20 I21 M343 L344 | V19-S335 WeakPolarHBondContact O-CB 3.01Å; D20-S335 WeakPolarHBondContact CA-OG 3.31Å; D20-S335 PolarHBondContact OD1-OG 3.26Å; I21-S335 WeakPolarHBondContact CD1-O 3.3Å; I21-S335 PolarHBondContact N-OG 3.22Å; S335-M343 CarbonylContact O-C 3.39Å; S335-M343 WeakPolarHBondContact O-CA 3.34Å; S335-M343 WeakPolarHBondContact O-CG 3.24Å; S335-L344 PolarHBondContact N-O 3.34Å; S335-L344 PolarHBondContact O-N 3.49Å |
| 336 | W | 97.9 | Very high | 96 | Very high | 18 Ų | 18 | 24.6 Ų | 24.6 | 7% | 0.068 | 13% | 0.131 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.8 | 147 | 178.6 | -71.5 | 97.9 | 0 | 0 | 0 | 110.8 | K275 N277 P278 A301 V311 M343 F357 | K275-W336 PolarHBondContact O-NE1 3.28Å; N277-W336 HydrophobicContact CB-CD2 4.1Å; N277-W336 HydrophobicContact CB-CG 4.44Å; N277-W336 HydrophobicContact CB-CZ2 4.23Å; N277-W336 WeakPolarHBondContact ND2-CZ3 3.5Å; P278-W336 HydrophobicContact CG-CB 4.36Å; A301-W336 HydrophobicContact CB-CZ2 3.84Å; V311-W336 HydrophobicContact CG1-CH2 4.37Å; W336-M343 HydrophobicContact CD2-CB 4.06Å; W336-M343 HydrophobicContact CD2-CG 3.95Å; W336-M343 HydrophobicContact CD2-SD 3.73Å; W336-M343 HydrophobicContact CE3-CB 3.68Å; W336-M343 HydrophobicContact CE3-CG 4.1Å; W336-M343 HydrophobicContact CE3-SD 4.09Å; W336-M343 HydrophobicContact CG-CG 4.31Å; W336-M343 HydrophobicContact CG-SD 4.37Å; W336-M343 HydrophobicContact CH2-SD 3.89Å; W336-M343 HydrophobicContact CZ2-CE 4.5Å; W336-M343 HydrophobicContact CZ2-SD 3.52Å; W336-M343 VanDerWaalsContact CZ2-SD 3.52Å; W336-M343 HydrophobicContact CZ3-CB 3.97Å; W336-M343 HydrophobicContact CZ3-SD 4.15Å; W336-F357 HydrophobicContact CH2-CD2 4.46Å; W336-F357 HydrophobicContact CH2-CE2 4.1Å; W336-F357 HydrophobicContact CZ3-CD2 4.12Å; W336-F357 HydrophobicContact CZ3-CE2 4.11Å |
| 337 | T | 94.1 | Very high | 96 | Very high | 13 Ų | 13 | 24 Ų | 24 | 8% | 0.08 | 13% | 0.128 | C | C | . | . | trans | -67.2 | 152 | 166.5 | 54.8 | 0 | 0 | 0 | 0 | 111.2 | I21 P278 T339 G340 G342 | I21-T337 HydrophobicContact CD1-CG2 3.78Å; I21-T337 HydrophobicContact CG2-CG2 4.4Å; P278-T337 WeakPolarHBondContact CG-O 3.43Å; T337-T339 PolarHBondContact O-N 2.76Å; T337-T339 PolarHBondContact OG1-OG1 2.97Å; T337-T339 VanDerWaalsContact OG1-OG1 3.06Å; T337-G340 PolarHBondContact O-N 3.42Å; T337-G342 WeakPolarHBondContact CB-O 3.41Å; T337-G342 WeakPolarHBondContact CG2-O 3.45Å; T337-G342 PolarHBondContact N-O 3.09Å; T337-G342 VanDerWaalsContact OG1-CA 3.31Å; T337-G342 WeakPolarHBondContact OG1-CA 3.49Å; T337-G342 PolarHBondContact OG1-N 2.81Å; T337-G342 PolarHBondContact OG1-O 3.41Å | ||
| 338 | L | 88.6 | Confident | 96 | Very high | 98 Ų | 98 | 26.3 Ų | 26.3 | 51% | 0.513 | 14% | 0.139 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -66.3 | -16.1 | 174.8 | -69.9 | -161 | 0 | 0 | 0 | 114.2 | P23 P278 K279 G340 | P23-L338 HydrophobicContact CB-CD1 3.97Å; P23-L338 VanDerWaalsContact O-CD1 3.25Å; P23-L338 WeakPolarHBondContact O-CD1 3.21Å; P23-L338 WeakPolarHBondContact O-CG 3.36Å; P278-L338 HydrophobicContact CG-CD2 4.41Å; K279-L338 WeakPolarHBondContact CE-O 3.31Å; L338-G340 PolarHBondContact O-N 2.87Å |
| 339 | T | 88.3 | Confident | 96 | Very high | 90 Ų | 90 | 21.5 Ų | 21.5 | 55% | 0.552 | 11% | 0.114 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -72.2 | -19.1 | 169.9 | 63 | 0 | 0 | 0 | 0 | 112.3 | T337 L341 | T337-T339 PolarHBondContact O-N 2.76Å; T337-T339 PolarHBondContact OG1-OG1 2.97Å; T337-T339 VanDerWaalsContact OG1-OG1 3.06Å; T339-L341 PolarHBondContact O-N 3.29Å; T339-L341 PolarHBondContact OG1-N 2.9Å |
| 340 | G | 92.3 | Very high | 95.9 | Very high | 0 Ų | 0 | 17.1 Ų | 17.1 | 0% | 0 | 10% | 0.095 | C | C | . | . | S | Bend | trans | 74.8 | 3.3 | -175.4 | 0 | 0 | 0 | 0 | 0 | 114.6 | N277 T337 L338 L362 | N277-G340 PolarHBondContact ND2-O 3.32Å; N277-G340 VanDerWaalsContact OD1-CA 3.24Å; N277-G340 WeakPolarHBondContact OD1-CA 3.12Å; T337-G340 PolarHBondContact O-N 3.42Å; L338-G340 PolarHBondContact O-N 2.87Å; G340-L362 VanDerWaalsContact O-CD1 3.3Å; G340-L362 WeakPolarHBondContact O-CD1 3.17Å |
| 341 | L | 94.3 | Very high | 95.9 | Very high | 38 Ų | 38 | 18 Ų | 18 | 20% | 0.199 | 10% | 0.099 | C | C | . | . | S | Bend | trans | -102 | -32.9 | -177.8 | -62.2 | -175.3 | 0 | 0 | 0 | 113.3 | F281 T339 F357 L359 L362 | F281-L341 HydrophobicContact CE1-CD2 4.48Å; T339-L341 PolarHBondContact O-N 3.29Å; T339-L341 PolarHBondContact OG1-N 2.9Å; L341-F357 WeakPolarHBondContact O-CD2 3.32Å; L341-F357 PolarHBondContact O-N 2.9Å; L341-L359 HydrophobicContact CD1-CD2 4.13Å; L341-L359 HydrophobicContact CD1-CG 4.18Å; L341-L359 HydrophobicContact CD2-CD2 4.1Å; L341-L362 HydrophobicContact CD2-CD1 4.09Å |
| 342 | G | 95.4 | Very high | 95.8 | Very high | 1 Ų | 1 | 18 Ų | 18 | 1% | 0.01 | 10% | 0.099 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.5 | 147.7 | 175.8 | 0 | 0 | 0 | 0 | 0 | 113.3 | T337 Y354 L355 | T337-G342 WeakPolarHBondContact CB-O 3.41Å; T337-G342 WeakPolarHBondContact CG2-O 3.45Å; T337-G342 PolarHBondContact N-O 3.09Å; T337-G342 VanDerWaalsContact OG1-CA 3.31Å; T337-G342 WeakPolarHBondContact OG1-CA 3.49Å; T337-G342 PolarHBondContact OG1-N 2.81Å; T337-G342 PolarHBondContact OG1-O 3.41Å; G342-Y354 WeakPolarHBondContact CA-OH 3.47Å; G342-L355 CarbonylContact C-O 3.28Å; G342-L355 WeakPolarHBondContact CA-O 3.48Å |
| 343 | M | 97.3 | Very high | 95.8 | Very high | 0 Ų | 0 | 17.8 Ų | 17.8 | 0% | 0 | 10% | 0.098 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -145.8 | 135.8 | 175.6 | -173.6 | 174.3 | 66.1 | 0 | 0 | 112.1 | A301 L309 V311 I334 S335 W336 V345 Y354 L355 | A301-M343 HydrophobicContact CB-CE 3.94Å; A301-M343 HydrophobicContact CB-SD 3.51Å; A301-M343 VanDerWaalsContact CB-SD 3.51Å; L309-M343 HydrophobicContact CD1-CE 4.5Å; L309-M343 HydrophobicContact CD2-CE 3.89Å; V311-M343 HydrophobicContact CG2-CE 4.36Å; I334-M343 HydrophobicContact CG2-CG 3.75Å; I334-M343 HydrophobicContact CG2-SD 3.39Å; I334-M343 WeakPolarHBondContact CG2-SD 3.44Å; S335-M343 CarbonylContact O-C 3.39Å; S335-M343 WeakPolarHBondContact O-CA 3.34Å; S335-M343 WeakPolarHBondContact O-CG 3.24Å; W336-M343 HydrophobicContact CD2-CB 4.06Å; W336-M343 HydrophobicContact CD2-CG 3.95Å; W336-M343 HydrophobicContact CD2-SD 3.73Å; W336-M343 HydrophobicContact CE3-CB 3.68Å; W336-M343 HydrophobicContact CE3-CG 4.1Å; W336-M343 HydrophobicContact CE3-SD 4.09Å; W336-M343 HydrophobicContact CG-CG 4.31Å; W336-M343 HydrophobicContact CG-SD 4.37Å; W336-M343 HydrophobicContact CH2-SD 3.89Å; W336-M343 HydrophobicContact CZ2-CE 4.5Å; W336-M343 HydrophobicContact CZ2-SD 3.52Å; W336-M343 VanDerWaalsContact CZ2-SD 3.52Å; W336-M343 HydrophobicContact CZ3-CB 3.97Å; W336-M343 HydrophobicContact CZ3-SD 4.15Å; M343-V345 HydrophobicContact CE-CG2 3.97Å; M343-V345 HydrophobicContact CG-CG2 4.47Å; M343-Y354 CarbonylContact O-C 3.54Å; M343-Y354 WeakPolarHBondContact O-CA 3.41Å; M343-Y354 WeakPolarHBondContact O-CD2 3.38Å; M343-L355 HydrophobicContact CB-CB 4.44Å; M343-L355 HydrophobicContact CE-CB 4.49Å; M343-L355 HydrophobicContact CE-CD2 3.61Å; M343-L355 PolarHBondContact N-O 2.86Å; M343-L355 PolarHBondContact O-N 2.8Å |
| 344 | L | 98.4 | Very high | 95.8 | Very high | 0 Ų | 0 | 18.3 Ų | 18.3 | 0% | 0 | 10% | 0.1 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.4 | 146.4 | 165.6 | -79.3 | 177.4 | 0 | 0 | 0 | 111.4 | V19 I21 F28 M45 I334 S335 V352 A353 Y354 | V19-L344 HydrophobicContact CG1-CB 4.42Å; V19-L344 HydrophobicContact CG2-CB 3.91Å; V19-L344 HydrophobicContact CG2-CD1 3.74Å; V19-L344 HydrophobicContact CG2-CG 4.45Å; I21-L344 HydrophobicContact CD1-CB 4.1Å; I21-L344 HydrophobicContact CD1-CD1 4.16Å; I21-L344 HydrophobicContact CD1-CG 3.98Å; I21-L344 HydrophobicContact CG1-CB 4.3Å; I21-L344 HydrophobicContact CG1-CD1 3.77Å; I21-L344 HydrophobicContact CG1-CG 4.14Å; F28-L344 HydrophobicContact CB-CD1 3.64Å; F28-L344 HydrophobicContact CD1-CD1 3.81Å; F28-L344 HydrophobicContact CD2-CD1 3.41Å; F28-L344 VanDerWaalsContact CD2-CD1 3.41Å; F28-L344 HydrophobicContact CE1-CD1 4.28Å; F28-L344 HydrophobicContact CE2-CD1 3.92Å; F28-L344 HydrophobicContact CG-CD1 3.34Å; F28-L344 HydrophobicContact CZ-CD1 4.32Å; M45-L344 HydrophobicContact CE-CD1 4.13Å; M45-L344 HydrophobicContact CE-CD2 4.25Å; M45-L344 HydrophobicContact CE-CG 4.28Å; M45-L344 HydrophobicContact SD-CD1 4.32Å; I334-L344 WeakPolarHBondContact CA-O 3.3Å; S335-L344 PolarHBondContact N-O 3.34Å; S335-L344 PolarHBondContact O-N 3.49Å; L344-V352 HydrophobicContact CD2-CG2 4.2Å; L344-A353 WeakPolarHBondContact CA-O 3.39Å; L344-Y354 HydrophobicContact CD2-CD2 3.95Å; L344-Y354 HydrophobicContact CD2-CG 4.36Å; L344-Y354 HydrophobicContact CG-CD2 4.13Å |
| 345 | V | 98.6 | Very high | 95.8 | Very high | 0 Ų | 0 | 18.3 Ų | 18.3 | 0% | 0 | 10% | 0.1 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.3 | 136.8 | 174.5 | -172.9 | 0 | 0 | 0 | 0 | 108.4 | L309 F327 I331 I334 M343 V352 A353 L355 | L309-V345 HydrophobicContact CD1-CG2 4.27Å; L309-V345 HydrophobicContact CD2-CG2 4.15Å; F327-V345 HydrophobicContact CE2-CB 4.14Å; F327-V345 HydrophobicContact CE2-CG1 3.71Å; F327-V345 HydrophobicContact CZ-CB 4.38Å; F327-V345 HydrophobicContact CZ-CG1 4.32Å; F327-V345 WeakPolarHBondContact CZ-O 3.33Å; I331-V345 HydrophobicContact CB-CG1 4.43Å; I331-V345 HydrophobicContact CD1-CG1 4.17Å; I331-V345 HydrophobicContact CG1-CG1 4.12Å; I331-V345 HydrophobicContact CG2-CG1 3.49Å; I331-V345 VanDerWaalsContact CG2-CG1 3.49Å; I334-V345 HydrophobicContact CG1-CG1 4.09Å; I334-V345 HydrophobicContact CG1-CG2 4.23Å; M343-V345 HydrophobicContact CE-CG2 3.97Å; M343-V345 HydrophobicContact CG-CG2 4.47Å; V345-V352 CarbonylContact O-C 3.46Å; V345-V352 WeakPolarHBondContact O-CA 3.33Å; V345-V352 WeakPolarHBondContact O-CB 3.38Å; V345-A353 PolarHBondContact N-O 2.78Å; V345-A353 PolarHBondContact O-N 3.49Å; V345-L355 HydrophobicContact CG2-CD1 4.29Å |
| 346 | C | 98 | Very high | 95.6 | Very high | 0 Ų | 0 | 19.9 Ų | 19.9 | 0% | 0 | 11% | 0.108 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.5 | 159.5 | 177.1 | 78.9 | 0 | 0 | 0 | 0 | 113.6 | I16 V19 M332 D333 V352 | I16-C346 HydrophobicContact CB-CB 4.36Å; I16-C346 HydrophobicContact CG2-CB 3.69Å; V19-C346 HydrophobicContact CB-CB 3.97Å; V19-C346 HydrophobicContact CG1-CB 3.78Å; M332-C346 PolarHBondContact N-O 2.68Å; D333-C346 PolarHBondContact O-N 2.88Å; C346-V352 HydrophobicContact CB-CG1 3.87Å |
| 347 | S | 96.7 | Very high | 95.5 | Very high | 0 Ų | 0 | 19.3 Ų | 19.3 | 0% | 0 | 11% | 0.106 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134 | 152.7 | -174.1 | 170.5 | 0 | 0 | 0 | 0 | 113.8 | I16 K329 S330 D349 G350 T351 | I16-S347 PolarHBondContact N-O 3.23Å; I16-S347 CarbonylContact O-C 3.57Å; I16-S347 VanDerWaalsContact O-O 3.13Å; K329-S347 PolarHBondContact O-OG 2.86Å; S330-S347 WeakPolarHBondContact O-CA 3.46Å; S330-S347 PolarHBondContact O-OG 3.21Å; S347-D349 WeakPolarHBondContact CB-OD1 3.47Å; S347-D349 WeakPolarHBondContact CB-OD2 3.5Å; S347-D349 PolarHBondContact O-N 2.96Å; S347-D349 VanDerWaalsContact O-N 3.1Å; S347-D349 PolarHBondContact OG-N 2.94Å; S347-D349 VanDerWaalsContact OG-N 3.07Å; S347-D349 PolarHBondContact OG-OD1 2.79Å; S347-D349 PolarHBondContact OG-OD2 2.91Å; S347-G350 PolarHBondContact O-N 3.47Å; S347-T351 PolarHBondContact N-O 2.88Å; S347-T351 VanDerWaalsContact N-O 3.15Å |
| 348 | M | 96.1 | Very high | 95.6 | Very high | 53 Ų | 53 | 21 Ų | 21 | 26% | 0.261 | 12% | 0.118 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -63.3 | -8.1 | 170.7 | -172.4 | 179 | -76.2 | 0 | 0 | 113.3 | P15 F17 K329 S330 M332 G350 | P15-M348 HydrophobicContact CB-CG 4.07Å; P15-M348 HydrophobicContact CG-CG 4.18Å; F17-M348 HydrophobicContact CE1-CE 4.14Å; F17-M348 HydrophobicContact CE1-CG 4.45Å; K329-M348 HydrophobicContact CB-CB 3.99Å; K329-M348 HydrophobicContact CD-CB 4.33Å; K329-M348 HydrophobicContact CD-CG 4.15Å; K329-M348 WeakPolarHBondContact CD-O 3.08Å; K329-M348 PolarHBondContact NZ-O 3.1Å; S330-M348 PolarHBondContact O-N 3.22Å; S330-M348 VanDerWaalsContact O-N 3.1Å; M332-M348 HydrophobicContact CE-CE 4.18Å; M332-M348 HydrophobicContact CG-CB 3.96Å; M332-M348 HydrophobicContact SD-CB 4.02Å; M332-M348 HydrophobicContact SD-CE 3.68Å; M348-G350 VanDerWaalsContact C-N 3.29Å |
| 349 | D | 95 | Very high | 95.7 | Very high | 17 Ų | 17 | 19.4 Ų | 19.4 | 9% | 0.091 | 11% | 0.11 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -76 | -12.7 | 167.7 | 60.4 | 41.5 | 0 | 0 | 0 | 114 | F327 D328 K329 S347 T351 | F327-D349 VanDerWaalsContact CB-OD2 3.25Å; F327-D349 WeakPolarHBondContact CB-OD2 3.3Å; F327-D349 WeakPolarHBondContact CD1-OD2 3.43Å; D328-D349 HydrophobicContact CB-CB 4.2Å; D328-D349 PolarHBondContact N-OD2 3.4Å; K329-D349 HydrophobicContact CB-CB 4.21Å; K329-D349 HydrophobicContact CD-CB 4.39Å; K329-D349 HydrophobicContact CG-CB 4.07Å; K329-D349 PolarHBondContact N-OD2 2.8Å; S347-D349 WeakPolarHBondContact CB-OD1 3.47Å; S347-D349 WeakPolarHBondContact CB-OD2 3.5Å; S347-D349 PolarHBondContact O-N 2.96Å; S347-D349 VanDerWaalsContact O-N 3.1Å; S347-D349 PolarHBondContact OG-N 2.94Å; S347-D349 VanDerWaalsContact OG-N 3.07Å; S347-D349 PolarHBondContact OG-OD1 2.79Å; S347-D349 PolarHBondContact OG-OD2 2.91Å; D349-T351 WeakPolarHBondContact OD1-CB 3.04Å; D349-T351 PolarHBondContact OD1-N 2.92Å; D349-T351 PolarHBondContact OD1-OG1 3.02Å |
| 350 | G | 94.8 | Very high | 95.8 | Very high | 0 Ų | 0 | 21 Ų | 21 | 0% | 0 | 12% | 0.115 | C | C | . | . | S | Bend | trans | 90.9 | 18.6 | 178.9 | 0 | 0 | 0 | 0 | 0 | 114.7 | S10 K14 S347 M348 | S10-G350 VanDerWaalsContact CA-O 3.32Å; S10-G350 WeakPolarHBondContact CA-O 3.34Å; S10-G350 PolarHBondContact OG-O 3.21Å; K14-G350 WeakPolarHBondContact O-CA 3.37Å; S347-G350 PolarHBondContact O-N 3.47Å; M348-G350 VanDerWaalsContact C-N 3.29Å |
| 351 | T | 95.8 | Very high | 95.8 | Very high | 36 Ų | 36 | 24.1 Ų | 24.1 | 22% | 0.221 | 13% | 0.13 | C | C | . | . | trans | -120.8 | 166.6 | 174.9 | 69.4 | 0 | 0 | 0 | 0 | 112.3 | K5 F327 S347 D349 | K5-T351 WeakPolarHBondContact CE-OG1 2.98Å; F327-T351 WeakPolarHBondContact CD1-OG1 3.43Å; F327-T351 WeakPolarHBondContact CE1-OG1 3.27Å; S347-T351 PolarHBondContact N-O 2.88Å; S347-T351 VanDerWaalsContact N-O 3.15Å; D349-T351 WeakPolarHBondContact OD1-CB 3.04Å; D349-T351 PolarHBondContact OD1-N 2.92Å; D349-T351 PolarHBondContact OD1-OG1 3.02Å | ||
| 352 | V | 97.6 | Very high | 95.7 | Very high | 0 Ų | 0 | 22.3 Ų | 22.3 | 0% | 0 | 12% | 0.12 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.3 | 160.6 | 169.8 | -49.7 | 0 | 0 | 0 | 0 | 111.1 | K5 P6 V9 I16 T30 L344 V345 C346 | K5-V352 WeakPolarHBondContact CG-O 3.39Å; P6-V352 HydrophobicContact CG-CG2 3.94Å; V9-V352 HydrophobicContact CB-CG2 3.83Å; V9-V352 HydrophobicContact CG1-CB 4.38Å; V9-V352 HydrophobicContact CG1-CG1 3.89Å; V9-V352 HydrophobicContact CG1-CG2 3.6Å; V9-V352 HydrophobicContact CG2-CG2 4.16Å; I16-V352 HydrophobicContact CD1-CG1 4.19Å; T30-V352 HydrophobicContact CG2-CG1 4.09Å; L344-V352 HydrophobicContact CD2-CG2 4.2Å; V345-V352 CarbonylContact O-C 3.46Å; V345-V352 WeakPolarHBondContact O-CA 3.33Å; V345-V352 WeakPolarHBondContact O-CB 3.38Å; C346-V352 HydrophobicContact CB-CG1 3.87Å |
| 353 | A | 97.8 | Very high | 95.5 | Very high | 0 Ų | 0 | 22.5 Ų | 22.5 | 0% | 0 | 12% | 0.122 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.1 | 143.5 | 169.5 | 0 | 0 | 0 | 0 | 0 | 109.9 | L3 L4 K5 L326 F327 L344 V345 L355 | L3-A353 HydrophobicContact CD1-CB 4.19Å; L4-A353 CarbonylContact O-C 3.58Å; L4-A353 WeakPolarHBondContact O-CA 3.39Å; K5-A353 HydrophobicContact CG-CB 4.38Å; L326-A353 HydrophobicContact CD1-CB 4.11Å; L326-A353 HydrophobicContact CG-CB 4.48Å; F327-A353 HydrophobicContact CE1-CB 4.35Å; F327-A353 HydrophobicContact CE2-CB 4.31Å; F327-A353 HydrophobicContact CZ-CB 3.67Å; L344-A353 WeakPolarHBondContact CA-O 3.39Å; V345-A353 PolarHBondContact N-O 2.78Å; V345-A353 PolarHBondContact O-N 3.49Å; A353-L355 HydrophobicContact CB-CD1 4.22Å |
| 354 | Y | 97.9 | Very high | 95.3 | Very high | 10 Ų | 10 | 24.7 Ų | 24.7 | 4% | 0.039 | 13% | 0.134 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.6 | 133.3 | 174.8 | -179.5 | -104.6 | 0 | 0 | 0 | 110.7 | L4 M45 V48 L49 G342 M343 L344 D356 | L4-Y354 HydrophobicContact CD1-CD1 3.99Å; L4-Y354 PolarHBondContact N-O 2.99Å; L4-Y354 PolarHBondContact O-N 2.79Å; M45-Y354 HydrophobicContact CE-CD2 4.05Å; M45-Y354 HydrophobicContact CE-CE2 4.37Å; V48-Y354 HydrophobicContact CG1-CD1 4.13Å; V48-Y354 HydrophobicContact CG1-CG 3.81Å; L49-Y354 HydrophobicContact CD2-CD1 4.38Å; L49-Y354 HydrophobicContact CD2-CE1 3.53Å; L49-Y354 HydrophobicContact CD2-CE2 4.2Å; L49-Y354 VanDerWaalsContact CD2-CZ 3.43Å; L49-Y354 WeakPolarHBondContact CD2-OH 3.47Å; G342-Y354 WeakPolarHBondContact CA-OH 3.47Å; M343-Y354 CarbonylContact O-C 3.54Å; M343-Y354 WeakPolarHBondContact O-CA 3.41Å; M343-Y354 WeakPolarHBondContact O-CD2 3.38Å; L344-Y354 HydrophobicContact CD2-CD2 3.95Å; L344-Y354 HydrophobicContact CD2-CG 4.36Å; L344-Y354 HydrophobicContact CG-CD2 4.13Å; Y354-D356 HydrophobicContact CE1-CB 3.87Å |
| 355 | L | 97.7 | Very high | 95 | Very high | 0 Ų | 0 | 26.7 Ų | 26.7 | 0% | 0 | 15% | 0.147 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.8 | 128.3 | -176.8 | -76.9 | 66.4 | 0 | 0 | 0 | 108.7 | M1 L3 L309 I323 G342 M343 V345 A353 F357 | M1-L355 HydrophobicContact CE-CB 3.96Å; M1-L355 HydrophobicContact CE-CD2 3.32Å; M1-L355 HydrophobicContact CE-CG 3.57Å; L3-L355 HydrophobicContact CD1-CD1 3.52Å; L3-L355 HydrophobicContact CD1-CG 3.97Å; L309-L355 HydrophobicContact CD2-CD2 3.32Å; I323-L355 HydrophobicContact CD1-CD2 4.34Å; G342-L355 CarbonylContact C-O 3.28Å; G342-L355 WeakPolarHBondContact CA-O 3.48Å; M343-L355 HydrophobicContact CB-CB 4.44Å; M343-L355 HydrophobicContact CE-CB 4.49Å; M343-L355 HydrophobicContact CE-CD2 3.61Å; M343-L355 PolarHBondContact N-O 2.86Å; M343-L355 PolarHBondContact O-N 2.8Å; V345-L355 HydrophobicContact CG2-CD1 4.29Å; A353-L355 HydrophobicContact CB-CD1 4.22Å; L355-F357 HydrophobicContact CB-CE2 4.1Å; L355-F357 HydrophobicContact CD2-CE2 4.49Å; L355-F357 HydrophobicContact CD2-CZ 4.47Å |
| 356 | D | 95.5 | Very high | 94.7 | Very high | 43 Ų | 43 | 27.4 Ų | 27.4 | 23% | 0.23 | 15% | 0.15 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.4 | 108.5 | -175.5 | -173.6 | 49.3 | 0 | 0 | 0 | 109.5 | M1 K2 Y354 | M1-D356 CarbonylContact C-O 3.53Å; M1-D356 WeakPolarHBondContact CA-O 3.35Å; K2-D356 HydrophobicContact CB-CB 4.12Å; K2-D356 PolarHBondContact N-O 2.89Å; K2-D356 IonicContact NZ-OD2 3.71Å; K2-D356 PolarHBondContact NZ-OD2 3.02Å; K2-D356 PolarHBondContact O-N 2.94Å; Y354-D356 HydrophobicContact CE1-CB 3.87Å |
| 357 | F | 96.4 | Very high | 94.2 | Very high | 7 Ų | 7 | 29.5 Ų | 29.5 | 3% | 0.031 | 17% | 0.165 | C | C | . | . | trans | -98.2 | 146.5 | -178.8 | -67.4 | -86.3 | 0 | 0 | 0 | 111.9 | M1 V311 V321 W336 L341 L355 L362 | M1-F357 HydrophobicContact CB-CD1 4.18Å; M1-F357 HydrophobicContact CB-CE1 4.38Å; M1-F357 HydrophobicContact CE-CE1 3.79Å; M1-F357 HydrophobicContact CE-CE2 4.2Å; M1-F357 HydrophobicContact CE-CZ 3.49Å; M1-F357 VanDerWaalsContact CE-CZ 3.49Å; M1-F357 HydrophobicContact CG-CD1 3.97Å; M1-F357 HydrophobicContact CG-CE1 3.84Å; M1-F357 HydrophobicContact CG-CZ 4.35Å; M1-F357 HydrophobicContact SD-CD1 4.23Å; M1-F357 HydrophobicContact SD-CE1 3.51Å; M1-F357 VanDerWaalsContact SD-CE1 3.51Å; M1-F357 HydrophobicContact SD-CZ 3.9Å; V311-F357 HydrophobicContact CG2-CZ 4.13Å; V321-F357 HydrophobicContact CG1-CE1 4.09Å; V321-F357 HydrophobicContact CG1-CZ 4.28Å; W336-F357 HydrophobicContact CH2-CD2 4.46Å; W336-F357 HydrophobicContact CH2-CE2 4.1Å; W336-F357 HydrophobicContact CZ3-CD2 4.12Å; W336-F357 HydrophobicContact CZ3-CE2 4.11Å; L341-F357 WeakPolarHBondContact O-CD2 3.32Å; L341-F357 PolarHBondContact O-N 2.9Å; L355-F357 HydrophobicContact CB-CE2 4.1Å; L355-F357 HydrophobicContact CD2-CE2 4.49Å; L355-F357 HydrophobicContact CD2-CZ 4.47Å; F357-L362 HydrophobicContact CB-CD1 3.57Å; F357-L362 HydrophobicContact CB-CG 3.84Å; F357-L362 HydrophobicContact CD1-CD2 4.43Å; F357-L362 HydrophobicContact CD1-CG 4.4Å; F357-L362 HydrophobicContact CD2-CD1 4.23Å; F357-L362 HydrophobicContact CG-CD1 3.93Å; F357-L362 HydrophobicContact CG-CD2 4.48Å; F357-L362 HydrophobicContact CG-CG 4.14Å | ||
| 358 | S | 94.6 | Very high | 93.6 | Very high | 48 Ų | 48 | 32.6 Ų | 32.6 | 34% | 0.336 | 18% | 0.18 | S | C | . | . | trans | -87.9 | 159.5 | 171.5 | 82.4 | 0 | 0 | 0 | 0 | 112.5 | D360 E361 L362 | S358-D360 PolarHBondContact O-N 2.9Å; S358-D360 PolarHBondContact OG-N 3.38Å; S358-E361 PolarHBondContact N-OE2 2.94Å; S358-E361 PolarHBondContact O-N 3.48Å; S358-E361 PolarHBondContact OG-N 2.89Å; S358-L362 PolarHBondContact O-N 3.26Å; S358-L362 VanDerWaalsContact O-N 3.17Å | ||
| 359 | L | 92 | Very high | 92.9 | Very high | 65 Ų | 65 | 36 Ų | 36 | 34% | 0.34 | 20% | 0.195 | S | C | . | . | H | α-helix | trans | -60.1 | -22.3 | 170.3 | -67.5 | 167.4 | 0 | 0 | 0 | 112.8 | L341 E361 G363 P365 | L341-L359 HydrophobicContact CD1-CD2 4.13Å; L341-L359 HydrophobicContact CD1-CG 4.18Å; L341-L359 HydrophobicContact CD2-CD2 4.1Å; L359-E361 VanDerWaalsContact C-N 3.31Å; L359-G363 WeakPolarHBondContact CD2-O 3.15Å; L359-G363 CarbonylContact O-C 3.54Å; L359-G363 VanDerWaalsContact O-C 3.28Å; L359-G363 WeakPolarHBondContact O-CA 3.46Å; L359-G363 PolarHBondContact O-N 3.08Å; L359-P365 VanDerWaalsContact CD2-CD 3.45Å; L359-P365 HydrophobicContact CD2-CG 4.41Å |
| 360 | D | 90.8 | Very high | 92.6 | Very high | 122 Ų | 122 | 38.7 Ų | 38.7 | 65% | 0.652 | 21% | 0.207 | S | C | * | . | H | α-helix | trans | -79.4 | -14.8 | 175.4 | -60.5 | -59.8 | 0 | 0 | 0 | 112.9 | K284 S358 | K284-D360 WeakPolarHBondContact CD-OD1 3.22Å; K284-D360 WeakPolarHBondContact CE-OD1 3.27Å; K284-D360 IonicContact NZ-OD1 3.79Å; K284-D360 PolarHBondContact NZ-OD1 3.1Å; K284-D360 IonicContact NZ-OD2 3.38Å; S358-D360 PolarHBondContact O-N 2.9Å; S358-D360 PolarHBondContact OG-N 3.38Å |
| 361 | E | 92.1 | Very high | 92.2 | Very high | 67 Ų | 67 | 40.3 Ų | 40.3 | 31% | 0.313 | 21% | 0.214 | S | C | . | . | H | α-helix | trans | -96.8 | -44.4 | 178.4 | -67 | 171.9 | 137.3 | 0 | 0 | 112.6 | M1 S358 L359 | M1-E361 VanDerWaalsContact CA-OE2 3.28Å; M1-E361 WeakPolarHBondContact CA-OE2 3.3Å; M1-E361 WeakPolarHBondContact CB-OE1 3.49Å; M1-E361 PolarHBondContact N-OE1 3.19Å; M1-E361 PolarHBondContact N-OE2 3.47Å; S358-E361 PolarHBondContact N-OE2 2.94Å; S358-E361 PolarHBondContact O-N 3.48Å; S358-E361 PolarHBondContact OG-N 2.89Å; L359-E361 VanDerWaalsContact C-N 3.31Å |
| 362 | L | 92.3 | Very high | 91.6 | Very high | 0 Ų | 0 | 39 Ų | 39 | 0% | 0 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -92.1 | -24.3 | 178.8 | -65.4 | 178.8 | 0 | 0 | 0 | 113.3 | F281 Y297 L313 L320 G340 L341 F357 S358 | F281-L362 HydrophobicContact CD1-CB 4.02Å; F281-L362 HydrophobicContact CE1-CB 3.79Å; F281-L362 HydrophobicContact CE1-CD1 4.35Å; F281-L362 HydrophobicContact CZ-CB 4.16Å; F281-L362 HydrophobicContact CZ-CD1 4.05Å; Y297-L362 VanDerWaalsContact CE2-O 3.31Å; Y297-L362 WeakPolarHBondContact CE2-O 3.25Å; Y297-L362 PolarHBondContact OH-O 2.81Å; L313-L362 HydrophobicContact CD2-CD2 4.07Å; L320-L362 HydrophobicContact CD2-CD2 3.71Å; G340-L362 VanDerWaalsContact O-CD1 3.3Å; G340-L362 WeakPolarHBondContact O-CD1 3.17Å; L341-L362 HydrophobicContact CD2-CD1 4.09Å; F357-L362 HydrophobicContact CB-CD1 3.57Å; F357-L362 HydrophobicContact CB-CG 3.84Å; F357-L362 HydrophobicContact CD1-CD2 4.43Å; F357-L362 HydrophobicContact CD1-CG 4.4Å; F357-L362 HydrophobicContact CD2-CD1 4.23Å; F357-L362 HydrophobicContact CG-CD1 3.93Å; F357-L362 HydrophobicContact CG-CD2 4.48Å; F357-L362 HydrophobicContact CG-CG 4.14Å; S358-L362 PolarHBondContact O-N 3.26Å; S358-L362 VanDerWaalsContact O-N 3.17Å |
| 363 | G | 91.2 | Very high | 91 | Very high | 5 Ų | 5 | 42.5 Ų | 42.5 | 5% | 0.052 | 23% | 0.227 | C | C | . | . | trans | 96.4 | -176.6 | -168.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | F281 L359 | F281-G363 WeakPolarHBondContact CD1-O 3.4Å; L359-G363 WeakPolarHBondContact CD2-O 3.15Å; L359-G363 CarbonylContact O-C 3.54Å; L359-G363 VanDerWaalsContact O-C 3.28Å; L359-G363 WeakPolarHBondContact O-CA 3.46Å; L359-G363 PolarHBondContact O-N 3.08Å | ||
| 364 | D | 91.5 | Very high | 90.4 | Very high | 45 Ų | 45 | 44.1 Ų | 44.1 | 24% | 0.241 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.2 | 129.4 | 177.4 | -53.6 | -53 | 0 | 0 | 0 | 108.9 | F281 K282 K284 | F281-D364 CarbonylContact C-O 3.59Å; F281-D364 WeakPolarHBondContact CA-O 3.27Å; K282-D364 HydrophobicContact CG-CB 4.25Å; K282-D364 WeakPolarHBondContact CG-O 3.43Å; K282-D364 PolarHBondContact N-O 3.36Å; K282-D364 PolarHBondContact O-N 2.87Å; K284-D364 WeakPolarHBondContact CA-OD2 3.11Å; K284-D364 VanDerWaalsContact CB-OD2 3.31Å; K284-D364 WeakPolarHBondContact CB-OD2 3.41Å; K284-D364 WeakPolarHBondContact CG-OD2 3.49Å |
| 365 | P | 92.9 | Very high | 89.8 | Confident | 43 Ų | 43 | 43.8 Ų | 43.8 | 28% | 0.279 | 23% | 0.234 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -66.4 | 146.3 | 174.9 | 28.2 | -34.1 | 0 | 0 | 0 | 110.4 | K279 F281 L359 | K279-P365 HydrophobicContact CB-CB 4.18Å; K279-P365 HydrophobicContact CD-CB 4.44Å; K279-P365 HydrophobicContact CG-CB 4.25Å; F281-P365 HydrophobicContact CD1-CB 4.24Å; F281-P365 HydrophobicContact CE1-CB 4.08Å; L359-P365 VanDerWaalsContact CD2-CD 3.45Å; L359-P365 HydrophobicContact CD2-CG 4.41Å |
| 366 | L | 91.3 | Very high | 89.1 | Confident | 14 Ų | 14 | 45.9 Ų | 45.9 | 7% | 0.073 | 24% | 0.244 | C | C | . | . | P | Polyproline II helix | trans | -67.4 | 150 | 170.5 | -63.1 | -166.6 | 0 | 0 | 0 | 111.1 | I280 K282 P296 E370 I374 | I280-L366 HydrophobicContact CB-CD1 3.78Å; I280-L366 HydrophobicContact CB-CG 4.04Å; I280-L366 HydrophobicContact CD1-CD1 4.5Å; I280-L366 HydrophobicContact CG2-CD1 3.52Å; I280-L366 HydrophobicContact CG2-CG 3.99Å; I280-L366 PolarHBondContact O-N 2.85Å; K282-L366 HydrophobicContact CB-CD2 3.86Å; K282-L366 HydrophobicContact CD-CD2 3.58Å; K282-L366 HydrophobicContact CG-CD2 3.79Å; P296-L366 HydrophobicContact CB-CD1 4.14Å; L366-E370 WeakPolarHBondContact CA-OE2 3.45Å; L366-E370 HydrophobicContact CB-CB 4.04Å; L366-E370 HydrophobicContact CD1-CB 4.28Å; L366-E370 HydrophobicContact CD2-CB 4.45Å; L366-E370 HydrophobicContact CG-CB 4.5Å; L366-I374 HydrophobicContact CD1-CD1 3.3Å |
| 367 | S | 88.4 | Confident | 88.6 | Confident | 45 Ų | 45 | 50.1 Ų | 50.1 | 32% | 0.315 | 27% | 0.267 | S | S | . | . | P | Polyproline II helix | trans | -67.6 | 160.6 | 164 | 93.1 | 0 | 0 | 0 | 0 | 110.4 | E369 E370 K371 | S367-E369 WeakPolarHBondContact CB-OE2 3.49Å; S367-E369 PolarHBondContact O-N 2.67Å; S367-E369 PolarHBondContact OG-N 3.23Å; S367-E369 PolarHBondContact OG-OE2 3.14Å; S367-E370 PolarHBondContact N-OE2 2.95Å; S367-E370 PolarHBondContact O-N 2.85Å; S367-E370 PolarHBondContact OG-N 3Å; S367-E370 VanDerWaalsContact OG-N 3.13Å; S367-K371 WeakPolarHBondContact O-CB 3.48Å; S367-K371 PolarHBondContact O-N 2.93Å |
| 368 | E | 83.2 | Confident | 88 | Confident | 65 Ų | 65 | 52.7 Ų | 52.7 | 30% | 0.304 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -67.1 | -27.4 | 176.3 | -64.2 | -61.7 | 139.8 | 0 | 0 | 111 | K279 K371 N372 | K279-E368 IonicContact NZ-OE1 2.69Å; K279-E368 PolarHBondContact NZ-OE1 3.06Å; E368-K371 IonicContact OE1-NZ 3.18Å; E368-K371 WeakPolarHBondContact OE2-CD 3.22Å; E368-K371 WeakPolarHBondContact OE2-CE 3.34Å; E368-K371 IonicContact OE2-NZ 3.79Å; E368-K371 PolarHBondContact OE2-NZ 3.14Å; E368-N372 WeakPolarHBondContact O-CB 3.4Å; E368-N372 PolarHBondContact O-N 2.88Å; E368-N372 PolarHBondContact O-ND2 3.25Å; E368-N372 VanDerWaalsContact O-ND2 3.11Å |
| 369 | E | 83.4 | Confident | 87.5 | Confident | 125 Ų | 125 | 52.4 Ų | 52.4 | 58% | 0.584 | 27% | 0.272 | S | S | * | . | H | α-helix | trans | -67.5 | -43.2 | 173 | -54.1 | 70.1 | -150.5 | 0 | 0 | 111.8 | S367 N372 T373 | S367-E369 WeakPolarHBondContact CB-OE2 3.49Å; S367-E369 PolarHBondContact O-N 2.67Å; S367-E369 PolarHBondContact OG-N 3.23Å; S367-E369 PolarHBondContact OG-OE2 3.14Å; E369-N372 PolarHBondContact O-N 2.8Å; E369-T373 WeakPolarHBondContact O-CB 3.27Å; E369-T373 PolarHBondContact O-N 3.1Å; E369-T373 PolarHBondContact O-OG1 3.11Å |
| 370 | E | 88.5 | Confident | 86.7 | Confident | 73 Ų | 73 | 50.9 Ų | 50.9 | 34% | 0.341 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -62.6 | -44.7 | 173.9 | -72.3 | -179.9 | 126.9 | 0 | 0 | 111.2 | K282 L366 S367 T373 I374 | K282-E370 IonicContact NZ-OE1 3.15Å; K282-E370 PolarHBondContact NZ-OE1 2.84Å; K282-E370 IonicContact NZ-OE2 2.74Å; K282-E370 PolarHBondContact NZ-OE2 3.49Å; L366-E370 WeakPolarHBondContact CA-OE2 3.45Å; L366-E370 HydrophobicContact CB-CB 4.04Å; L366-E370 HydrophobicContact CD1-CB 4.28Å; L366-E370 HydrophobicContact CD2-CB 4.45Å; L366-E370 HydrophobicContact CG-CB 4.5Å; S367-E370 PolarHBondContact N-OE2 2.95Å; S367-E370 PolarHBondContact O-N 2.85Å; S367-E370 PolarHBondContact OG-N 3Å; S367-E370 VanDerWaalsContact OG-N 3.13Å; E370-T373 WeakPolarHBondContact O-CB 3.18Å; E370-T373 PolarHBondContact O-N 3.17Å; E370-I374 WeakPolarHBondContact O-CG1 3.16Å; E370-I374 PolarHBondContact O-N 2.91Å |
| 371 | K | 85.1 | Confident | 85.3 | Confident | 34 Ų | 34 | 53.1 Ų | 53.1 | 15% | 0.148 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -63.8 | -44 | 176 | 168.3 | 177.1 | 156 | -155.4 | 0 | 112.5 | I280 S367 E368 T373 I374 H375 | I280-K371 HydrophobicContact CD1-CB 4.34Å; I280-K371 HydrophobicContact CD1-CD 4.45Å; I280-K371 HydrophobicContact CD1-CG 3.95Å; S367-K371 WeakPolarHBondContact O-CB 3.48Å; S367-K371 PolarHBondContact O-N 2.93Å; E368-K371 IonicContact OE1-NZ 3.18Å; E368-K371 WeakPolarHBondContact OE2-CD 3.22Å; E368-K371 WeakPolarHBondContact OE2-CE 3.34Å; E368-K371 IonicContact OE2-NZ 3.79Å; E368-K371 PolarHBondContact OE2-NZ 3.14Å; K371-T373 VanDerWaalsContact C-N 3.3Å; K371-T373 PolarHBondContact O-N 2.96Å; K371-I374 WeakPolarHBondContact O-CB 3.36Å; K371-I374 PolarHBondContact O-N 2.83Å; K371-I374 VanDerWaalsContact O-N 3.15Å; K371-H375 PolarHBondContact O-N 3.09Å |
| 372 | N | 82.9 | Confident | 83.3 | Confident | 9 Ų | 9 | 50.6 Ų | 50.6 | 5% | 0.048 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -68.2 | -31.2 | 176.6 | -70.2 | -23.5 | 0 | 0 | 0 | 111.5 | E368 E369 H375 Q376 T394 T395 | E368-N372 WeakPolarHBondContact O-CB 3.4Å; E368-N372 PolarHBondContact O-N 2.88Å; E368-N372 PolarHBondContact O-ND2 3.25Å; E368-N372 VanDerWaalsContact O-ND2 3.11Å; E369-N372 PolarHBondContact O-N 2.8Å; N372-H375 PolarHBondContact O-N 2.7Å; N372-Q376 WeakPolarHBondContact O-CB 3.3Å; N372-Q376 VanDerWaalsContact O-CG 3.26Å; N372-Q376 WeakPolarHBondContact O-CG 3.2Å; N372-Q376 PolarHBondContact O-N 2.95Å; N372-T394 WeakPolarHBondContact CB-O 3.17Å; N372-T394 VanDerWaalsContact CG-C 3.47Å; N372-T394 PolarHBondContact ND2-OG1 3.27Å; N372-T395 WeakPolarHBondContact OD1-CA 3.48Å |
| 373 | T | 84.9 | Confident | 80.9 | Confident | 73 Ų | 73 | 57.9 Ų | 57.9 | 45% | 0.448 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -64.9 | -41.3 | 169.8 | -57.8 | 0 | 0 | 0 | 0 | 111.2 | E369 E370 K371 Q376 N377 | E369-T373 WeakPolarHBondContact O-CB 3.27Å; E369-T373 PolarHBondContact O-N 3.1Å; E369-T373 PolarHBondContact O-OG1 3.11Å; E370-T373 WeakPolarHBondContact O-CB 3.18Å; E370-T373 PolarHBondContact O-N 3.17Å; K371-T373 VanDerWaalsContact C-N 3.3Å; K371-T373 PolarHBondContact O-N 2.96Å; T373-Q376 PolarHBondContact O-N 3.08Å; T373-N377 WeakPolarHBondContact O-CB 3.34Å; T373-N377 PolarHBondContact O-N 3.3Å; T373-N377 PolarHBondContact O-ND2 3.34Å |
| 374 | I | 85.7 | Confident | 78.5 | Confident | 33 Ų | 33 | 59.7 Ų | 59.7 | 17% | 0.169 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -61.4 | -48.8 | 173 | -72 | 166.9 | 0 | 0 | 0 | 110.7 | P296 L366 E370 K371 Q376 N377 I378 | P296-I374 HydrophobicContact CB-CD1 3.89Å; P296-I374 HydrophobicContact CG-CD1 3.82Å; L366-I374 HydrophobicContact CD1-CD1 3.3Å; E370-I374 WeakPolarHBondContact O-CG1 3.16Å; E370-I374 PolarHBondContact O-N 2.91Å; K371-I374 WeakPolarHBondContact O-CB 3.36Å; K371-I374 PolarHBondContact O-N 2.83Å; K371-I374 VanDerWaalsContact O-N 3.15Å; I374-Q376 VanDerWaalsContact C-N 3.34Å; I374-Q376 PolarHBondContact O-N 3.39Å; I374-N377 PolarHBondContact O-N 2.94Å; I374-I378 HydrophobicContact CG2-CD1 3.53Å; I374-I378 HydrophobicContact CG2-CG1 4.43Å; I374-I378 WeakPolarHBondContact O-CD1 3.45Å; I374-I378 VanDerWaalsContact O-CG1 3.29Å; I374-I378 WeakPolarHBondContact O-CG1 3.24Å; I374-I378 PolarHBondContact O-N 3Å |
| 375 | H | 85.2 | Confident | 76 | Confident | 4 Ų | 4 | 62.4 Ų | 62.4 | 2% | 0.019 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -58.8 | -42.9 | 175.7 | -70.3 | 173.6 | 0 | 0 | 0 | 112.2 | P232 K371 N372 N377 I378 Y379 V396 | P232-H375 PolarHBondContact O-NE2 3.37Å; K371-H375 PolarHBondContact O-N 3.09Å; N372-H375 PolarHBondContact O-N 2.7Å; H375-N377 VanDerWaalsContact C-N 3.32Å; H375-N377 PolarHBondContact O-N 3.07Å; H375-I378 PolarHBondContact O-N 2.87Å; H375-Y379 HydrophobicContact CB-CD2 4.31Å; H375-Y379 WeakPolarHBondContact O-CB 3.37Å; H375-Y379 WeakPolarHBondContact O-CD2 3.33Å; H375-Y379 PolarHBondContact O-N 2.83Å; H375-V396 HydrophobicContact CB-CB 4.32Å; H375-V396 HydrophobicContact CB-CG2 3.89Å |
| 376 | Q | 82.9 | Confident | 73.1 | Confident | 44 Ų | 44 | 65.8 Ų | 65.8 | 21% | 0.206 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -66.8 | -30.7 | 177.4 | -73.7 | 176.2 | 36.7 | 0 | 0 | 113.5 | N372 T373 I374 G380 V396 | N372-Q376 WeakPolarHBondContact O-CB 3.3Å; N372-Q376 VanDerWaalsContact O-CG 3.26Å; N372-Q376 WeakPolarHBondContact O-CG 3.2Å; N372-Q376 PolarHBondContact O-N 2.95Å; T373-Q376 PolarHBondContact O-N 3.08Å; I374-Q376 VanDerWaalsContact C-N 3.34Å; I374-Q376 PolarHBondContact O-N 3.39Å; Q376-G380 WeakPolarHBondContact CA-O 3.29Å; Q376-G380 CarbonylContact O-C 3.49Å; Q376-G380 VanDerWaalsContact O-C 3.31Å; Q376-G380 WeakPolarHBondContact O-CA 3.31Å; Q376-G380 PolarHBondContact O-N 3.13Å; Q376-V396 HydrophobicContact CB-CG2 4.44Å; Q376-V396 HydrophobicContact CG-CG2 3.71Å |
| 377 | N | 85 | Confident | 70.3 | Confident | 131 Ų | 131 | 70.4 Ų | 70.4 | 70% | 0.701 | 39% | 0.385 | S | S | * | . | H | α-helix | trans | -77.1 | -29.6 | 176.5 | -72.1 | -22.7 | 0 | 0 | 0 | 113 | T373 I374 H375 | T373-N377 WeakPolarHBondContact O-CB 3.34Å; T373-N377 PolarHBondContact O-N 3.3Å; T373-N377 PolarHBondContact O-ND2 3.34Å; I374-N377 PolarHBondContact O-N 2.94Å; H375-N377 VanDerWaalsContact C-N 3.32Å; H375-N377 PolarHBondContact O-N 3.07Å |
| 378 | I | 85.1 | Confident | 67.7 | Low | 61 Ų | 61 | 74.7 Ų | 74.7 | 31% | 0.313 | 41% | 0.41 | S | S | . | . | H | α-helix | trans | -86.6 | -46.4 | 178.6 | -57.3 | 159.2 | 0 | 0 | 0 | 111.2 | Q235 I374 H375 | Q235-I378 HydrophobicContact CG-CD1 4.14Å; Q235-I378 VanDerWaalsContact NE2-CD1 3.26Å; I374-I378 HydrophobicContact CG2-CD1 3.53Å; I374-I378 HydrophobicContact CG2-CG1 4.43Å; I374-I378 WeakPolarHBondContact O-CD1 3.45Å; I374-I378 VanDerWaalsContact O-CG1 3.29Å; I374-I378 WeakPolarHBondContact O-CG1 3.24Å; I374-I378 PolarHBondContact O-N 3Å; H375-I378 PolarHBondContact O-N 2.87Å |
| 379 | Y | 83.7 | Confident | 65.2 | Low | 42 Ų | 42 | 78.9 Ų | 78.9 | 17% | 0.165 | 43% | 0.429 | C | S | . | . | H | α-helix | trans | -106.6 | -1.9 | -169.6 | -53.6 | -63.1 | 0 | 0 | 0 | 114 | V185 D233 G234 Q235 H375 | V185-Y379 HydrophobicContact CG1-CD2 4.36Å; V185-Y379 HydrophobicContact CG1-CG 4.36Å; V185-Y379 HydrophobicContact CG2-CD2 3.62Å; V185-Y379 HydrophobicContact CG2-CE2 3.49Å; V185-Y379 VanDerWaalsContact CG2-CE2 3.49Å; V185-Y379 HydrophobicContact CG2-CG 4.23Å; D233-Y379 WeakPolarHBondContact O-CE2 3.39Å; D233-Y379 PolarHBondContact O-OH 2.81Å; G234-Y379 WeakPolarHBondContact CA-OH 3.47Å; G234-Y379 PolarHBondContact O-OH 2.73Å; G234-Y379 VanDerWaalsContact O-OH 3.1Å; Q235-Y379 PolarHBondContact N-OH 3.12Å; H375-Y379 HydrophobicContact CB-CD2 4.31Å; H375-Y379 WeakPolarHBondContact O-CB 3.37Å; H375-Y379 WeakPolarHBondContact O-CD2 3.33Å; H375-Y379 PolarHBondContact O-N 2.83Å |
| 380 | G | 74.5 | Confident | 62.9 | Low | 33 Ų | 33 | 79.9 Ų | 79.9 | 34% | 0.34 | 44% | 0.444 | S | S | . | . | trans | 84.6 | 175 | -175.7 | 0 | 0 | 0 | 0 | 0 | 113.5 | Q376 V396 | Q376-G380 WeakPolarHBondContact CA-O 3.29Å; Q376-G380 CarbonylContact O-C 3.49Å; Q376-G380 VanDerWaalsContact O-C 3.31Å; Q376-G380 WeakPolarHBondContact O-CA 3.31Å; Q376-G380 PolarHBondContact O-N 3.13Å; G380-V396 WeakPolarHBondContact O-CG2 3.39Å | ||
| 381 | K | 61 | Low | 60.3 | Low | 169 Ų | 169 | 84.8 Ų | 84.8 | 74% | 0.735 | 47% | 0.466 | S | S | * | . | trans | -73.6 | 135.4 | 179.7 | -65.4 | -177.2 | 179.5 | -178.3 | 0 | 110.6 | ||||
| 382 | S | 50.7 | Low | 57.8 | Low | 15 Ų | 15 | 88.4 Ų | 88.4 | 11% | 0.105 | 49% | 0.487 | C | S | . | . | trans | -59.2 | 137.7 | 173.2 | -178 | 0 | 0 | 0 | 0 | 111.2 | A384 I385 L403 | S382-A384 PolarHBondContact O-N 3.47Å; S382-I385 PolarHBondContact O-N 2.81Å; S382-I385 VanDerWaalsContact O-N 3.1Å; S382-L403 WeakPolarHBondContact OG-CD1 3.33Å | ||
| 383 | L | 42.8 | Very low | 55.7 | Low | 153 Ų | 153 | 91 Ų | 91 | 80% | 0.801 | 51% | 0.506 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.3 | -11.2 | -179.8 | -71.5 | 170 | 0 | 0 | 0 | 113.9 | I385 L403 | L383-I385 VanDerWaalsContact C-N 3.29Å; L383-I385 PolarHBondContact O-N 2.73Å; L383-L403 HydrophobicContact CB-CD2 3.94Å |
| 384 | A | 40.4 | Very low | 53.7 | Low | 42 Ų | 42 | 90.6 Ų | 90.6 | 35% | 0.347 | 50% | 0.503 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -73.4 | -14.4 | 173.5 | 0 | 0 | 0 | 0 | 0 | 114.2 | S382 T386 L403 | S382-A384 PolarHBondContact O-N 3.47Å; A384-T386 VanDerWaalsContact C-N 3.34Å; A384-T386 PolarHBondContact O-N 2.97Å; A384-T386 VanDerWaalsContact O-N 3.07Å; A384-L403 HydrophobicContact CB-CD1 4.03Å |
| 385 | I | 39.1 | Very low | 52.2 | Low | 103 Ų | 103 | 90.3 Ų | 90.3 | 53% | 0.528 | 50% | 0.503 | S | S | . | . | trans | -88.6 | 70.8 | -176.2 | -46.7 | 179.7 | 0 | 0 | 0 | 111.1 | S382 L383 | S382-I385 PolarHBondContact O-N 2.81Å; S382-I385 VanDerWaalsContact O-N 3.1Å; L383-I385 VanDerWaalsContact C-N 3.29Å; L383-I385 PolarHBondContact O-N 2.73Å | ||
| 386 | T | 31.5 | Very low | 50.9 | Low | 113 Ų | 113 | 90.3 Ų | 90.3 | 69% | 0.693 | 50% | 0.503 | S | S | * | . | S | Bend | trans | -128.2 | 119.1 | 161.5 | 43.1 | 0 | 0 | 0 | 0 | 110.2 | A384 | A384-T386 VanDerWaalsContact C-N 3.34Å; A384-T386 PolarHBondContact O-N 2.97Å; A384-T386 VanDerWaalsContact O-N 3.07Å |
| 387 | S | 32.5 | Very low | 50 | Low | 111 Ų | 111 | 88.8 Ų | 88.8 | 78% | 0.776 | 50% | 0.496 | S | S | * | . | S | Bend | trans | 67.5 | 101.2 | 170.2 | -53.9 | 0 | 0 | 0 | 0 | 117.2 | ||
| 388 | T | 33.1 | Very low | 49.1 | Very low | 136 Ų | 136 | 85.8 Ų | 85.8 | 83% | 0.834 | 48% | 0.478 | S | S | * | . | S | Bend | trans | 49.4 | 83.1 | 149.6 | 49.6 | 0 | 0 | 0 | 0 | 118.9 | ||
| 389 | E | 30.9 | Very low | 48.5 | Very low | 153 Ų | 153 | 83 Ų | 83 | 72% | 0.715 | 46% | 0.464 | S | S | * | . | -162.5 | 148.2 | 123.4 | -110.4 | 168.5 | -154.1 | 0 | 0 | 110 | Q414 | E389-Q414 PolarHBondContact OE2-NE2 3.07Š| |||
| 390 | V | 35.3 | Very low | 47.8 | Very low | 146 Ų | 146 | 84.5 Ų | 84.5 | 89% | 0.885 | 48% | 0.479 | S | S | * | . | trans | -113.7 | 60.8 | -168.6 | -169.5 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 391 | Q | 33.8 | Very low | 47.6 | Very low | 175 Ų | 175 | 88.2 Ų | 88.2 | 82% | 0.818 | 49% | 0.487 | S | S | * | . | trans | -163.8 | 149.3 | 166.9 | -111.1 | 155 | 10 | 0 | 0 | 112.2 | ||||
| 392 | L | 32.6 | Very low | 48.1 | Very low | 111 Ų | 111 | 80.2 Ų | 80.2 | 58% | 0.581 | 45% | 0.453 | S | S | * | . | S | Bend | trans | 90.4 | 122.1 | 170.6 | -54.1 | 170.4 | 0 | 0 | 0 | 119.4 | Q410 | L392-Q410 HydrophobicContact CD1-CG 4.32Å; L392-Q410 PolarHBondContact O-NE2 2.83Å |
| 393 | S | 38.9 | Very low | 49 | Very low | 64 Ų | 64 | 80.3 Ų | 80.3 | 45% | 0.448 | 45% | 0.452 | S | S | . | . | trans | 40.9 | 83.9 | 164.2 | 40.4 | 0 | 0 | 0 | 0 | 118.5 | T395 Q406 | S393-T395 PolarHBondContact O-N 2.78Å; S393-Q406 VanDerWaalsContact CB-NE2 3.26Å; S393-Q406 PolarHBondContact O-NE2 3.21Å; S393-Q406 PolarHBondContact OG-NE2 2.75Å | ||
| 394 | T | 44.1 | Very low | 50.4 | Low | 63 Ų | 63 | 78.9 Ų | 78.9 | 39% | 0.387 | 44% | 0.439 | S | S | . | . | trans | -92.4 | 19.5 | -176.9 | 40.3 | 0 | 0 | 0 | 0 | 116.4 | N372 | N372-T394 WeakPolarHBondContact CB-O 3.17Å; N372-T394 VanDerWaalsContact CG-C 3.47Å; N372-T394 PolarHBondContact ND2-OG1 3.27Å | ||
| 395 | T | 52.6 | Low | 51.5 | Low | 27 Ų | 27 | 78.6 Ų | 78.6 | 17% | 0.166 | 43% | 0.429 | C | S | . | . | trans | -62.3 | 134.3 | 172.1 | 51.3 | 0 | 0 | 0 | 0 | 110.7 | H142 N372 S393 I397 | H142-T395 PolarHBondContact CE1-OG1 3.32Å; H142-T395 PolarHBondContact NE2-OG1 3.49Å; H142-T395 VanDerWaalsContact NE2-OG1 3.09Å; N372-T395 WeakPolarHBondContact OD1-CA 3.48Å; S393-T395 PolarHBondContact O-N 2.78Å; T395-I397 PolarHBondContact O-N 2.8Å | ||
| 396 | V | 58.3 | Low | 52.8 | Low | 5 Ų | 5 | 74.6 Ų | 74.6 | 3% | 0.03 | 41% | 0.408 | C | S | . | . | trans | -70.1 | 129.4 | 171.4 | -177.4 | 0 | 0 | 0 | 0 | 108.9 | V185 H375 Q376 G380 | V185-V396 HydrophobicContact CG1-CB 4.27Å; V185-V396 HydrophobicContact CG1-CG1 4.09Å; V185-V396 WeakPolarHBondContact CG1-O 3.49Å; H375-V396 HydrophobicContact CB-CB 4.32Å; H375-V396 HydrophobicContact CB-CG2 3.89Å; Q376-V396 HydrophobicContact CB-CG2 4.44Å; Q376-V396 HydrophobicContact CG-CG2 3.71Å; G380-V396 WeakPolarHBondContact O-CG2 3.39Å | ||
| 397 | I | 64 | Low | 54.6 | Low | 11 Ų | 11 | 72.9 Ų | 72.9 | 6% | 0.056 | 39% | 0.393 | C | S | . | . | trans | -125.6 | 112.6 | 175.5 | -58.4 | -177.4 | 0 | 0 | 0 | 107.1 | T395 M402 L403 | T395-I397 PolarHBondContact O-N 2.8Å; I397-M402 HydrophobicContact CG2-CB 3.59Å; I397-M402 HydrophobicContact CG2-CE 4.21Å; I397-L403 HydrophobicContact CB-CD1 4.28Å; I397-L403 HydrophobicContact CG2-CB 4.49Å | ||
| 398 | E | 66.9 | Low | 56.4 | Low | 69 Ų | 69 | 72.1 Ų | 72.1 | 32% | 0.322 | 38% | 0.377 | S | S | . | . | trans | -81.2 | -16.1 | -179.8 | -74 | -170.2 | -111.8 | 0 | 0 | 113.2 | V185 K187 R255 | V185-E398 HydrophobicContact CG1-CG 3.95Å; K187-E398 HydrophobicContact CB-CB 4.25Å; K187-E398 WeakPolarHBondContact CD-OE1 3.15Å; K187-E398 WeakPolarHBondContact CD-OE2 3.12Å; K187-E398 VanDerWaalsContact CE-OE2 3.3Å; K187-E398 WeakPolarHBondContact CE-OE2 3.39Å; K187-E398 HydrophobicContact CG-CB 4.45Å; K187-E398 IonicContact NZ-OE1 2.9Å; K187-E398 IonicContact NZ-OE2 2.73Å; K187-E398 PolarHBondContact NZ-OE2 3.21Å; R255-E398 IonicContact NH2-OE1 3.53Å | ||
| 399 | N | 72 | Confident | 58 | Low | 3 Ų | 3 | 72.3 Ų | 72.3 | 2% | 0.016 | 36% | 0.362 | C | S | . | . | trans | -88.9 | 122.4 | -179.8 | -169.4 | -57 | 0 | 0 | 0 | 112.3 | T203 V204 E401 M402 L403 | T203-N399 WeakPolarHBondContact CB-ND2 3.46Å; T203-N399 PolarHBondContact O-ND2 2.86Å; T203-N399 PolarHBondContact OG1-ND2 3.48Å; V204-N399 HydrophobicContact CG1-CB 4.34Å; V204-N399 PolarHBondContact N-ND2 2.85Å; N399-E401 VanDerWaalsContact C-N 3.31Å; N399-E401 PolarHBondContact O-N 3.3Å; N399-E401 PolarHBondContact OD1-N 3.35Å; N399-M402 HydrophobicContact CB-CB 4.43Å; N399-M402 HydrophobicContact CB-CE 3.57Å; N399-M402 HydrophobicContact CB-CG 4.43Å; N399-M402 PolarHBondContact O-N 3.05Å; N399-L403 PolarHBondContact O-N 2.99Å; N399-L403 VanDerWaalsContact O-N 3.08Å | ||
| 400 | P | 68.6 | Low | 59.3 | Low | 72 Ų | 72 | 67.3 Ų | 67.3 | 47% | 0.468 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -61 | -28.6 | -179.3 | -25.8 | 35.6 | 0 | 0 | 0 | 115.8 | K404 | P400-K404 VanDerWaalsContact O-CG 3.26Å; P400-K404 WeakPolarHBondContact O-CG 3.35Å; P400-K404 PolarHBondContact O-N 3.29Å |
| 401 | E | 70.5 | Confident | 60.7 | Low | 111 Ų | 111 | 64.7 Ų | 64.7 | 52% | 0.519 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -75.4 | -39.9 | -179 | -58.9 | -157.8 | 143.1 | 0 | 0 | 112.1 | W145 N399 L403 Y405 | W145-E401 HydrophobicContact CZ2-CB 4.34Å; N399-E401 VanDerWaalsContact C-N 3.31Å; N399-E401 PolarHBondContact O-N 3.3Å; N399-E401 PolarHBondContact OD1-N 3.35Å; E401-L403 VanDerWaalsContact C-N 3.35Å; E401-Y405 PolarHBondContact O-N 3.25Å; E401-Y405 VanDerWaalsContact O-N 3.16Å |
| 402 | M | 71.6 | Confident | 61.8 | Low | 2 Ų | 2 | 59.2 Ų | 59.2 | 1% | 0.01 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -68 | -36.1 | 172.7 | -66.5 | -162.7 | -74.8 | 0 | 0 | 111.7 | V144 W145 G186 I397 N399 Y405 Q406 | V144-M402 HydrophobicContact CB-CG 4.09Å; V144-M402 HydrophobicContact CB-SD 4.47Å; V144-M402 HydrophobicContact CG1-CG 4.18Å; V144-M402 HydrophobicContact CG2-CB 4.34Å; V144-M402 HydrophobicContact CG2-CG 3.88Å; V144-M402 HydrophobicContact CG2-SD 4.37Å; W145-M402 HydrophobicContact CE3-CG 4.24Å; W145-M402 HydrophobicContact CE3-SD 3.94Å; W145-M402 HydrophobicContact CH2-CG 3.78Å; W145-M402 HydrophobicContact CH2-SD 4.34Å; W145-M402 HydrophobicContact CZ2-CG 4.49Å; W145-M402 HydrophobicContact CZ3-CE 3.8Å; W145-M402 HydrophobicContact CZ3-CG 3.63Å; W145-M402 HydrophobicContact CZ3-SD 3.58Å; W145-M402 VanDerWaalsContact CZ3-SD 3.58Å; G186-M402 WeakPolarHBondContact O-CE 3.26Å; I397-M402 HydrophobicContact CG2-CB 3.59Å; I397-M402 HydrophobicContact CG2-CE 4.21Å; N399-M402 HydrophobicContact CB-CB 4.43Å; N399-M402 HydrophobicContact CB-CE 3.57Å; N399-M402 HydrophobicContact CB-CG 4.43Å; N399-M402 PolarHBondContact O-N 3.05Å; M402-Y405 WeakPolarHBondContact O-CB 3.18Å; M402-Y405 PolarHBondContact O-N 3.32Å; M402-Q406 PolarHBondContact O-N 3.44Å |
| 403 | L | 69.3 | Low | 63 | Low | 16 Ų | 16 | 56.5 Ų | 56.5 | 8% | 0.084 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -65.4 | -44 | 175.9 | -166.9 | 71.1 | 0 | 0 | 0 | 112 | S382 L383 A384 I397 N399 E401 Y405 Q406 Q407 | S382-L403 WeakPolarHBondContact OG-CD1 3.33Å; L383-L403 HydrophobicContact CB-CD2 3.94Å; A384-L403 HydrophobicContact CB-CD1 4.03Å; I397-L403 HydrophobicContact CB-CD1 4.28Å; I397-L403 HydrophobicContact CG2-CB 4.49Å; N399-L403 PolarHBondContact O-N 2.99Å; N399-L403 VanDerWaalsContact O-N 3.08Å; E401-L403 VanDerWaalsContact C-N 3.35Å; L403-Y405 VanDerWaalsContact C-N 3.32Å; L403-Y405 PolarHBondContact O-N 3.4Å; L403-Q406 WeakPolarHBondContact O-CB 3.34Å; L403-Q406 PolarHBondContact O-N 3.06Å; L403-Q407 PolarHBondContact O-N 3.13Å |
| 404 | K | 71.7 | Confident | 63.7 | Low | 124 Ų | 124 | 57.9 Ų | 57.9 | 54% | 0.539 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -57.9 | -42.3 | 173.4 | -76.2 | 169.8 | -177.3 | 177.2 | 0 | 112.1 | P400 Q406 Q407 E408 | P400-K404 VanDerWaalsContact O-CG 3.26Å; P400-K404 WeakPolarHBondContact O-CG 3.35Å; P400-K404 PolarHBondContact O-N 3.29Å; K404-Q406 VanDerWaalsContact C-N 3.3Å; K404-Q406 PolarHBondContact O-N 3.33Å; K404-Q407 PolarHBondContact O-N 2.91Å; K404-E408 WeakPolarHBondContact O-CG 3.34Å; K404-E408 PolarHBondContact O-N 3.37Å |
| 405 | Y | 64.7 | Low | 63.9 | Low | 35 Ų | 35 | 61 Ų | 61 | 14% | 0.137 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -59.3 | -41.3 | 177.3 | 177.3 | -135.1 | 0 | 0 | 0 | 113.1 | H142 V144 R161 E401 M402 L403 Q407 E408 R409 | H142-Y405 WeakPolarHBondContact O-CE1 3.12Å; V144-Y405 HydrophobicContact CG2-CD1 3.39Å; V144-Y405 HydrophobicContact CG2-CE1 3.89Å; V144-Y405 HydrophobicContact CG2-CG 4.22Å; R161-Y405 VanDerWaalsContact CD-CE2 3.41Å; R161-Y405 VanDerWaalsContact NH1-CD2 3.31Å; E401-Y405 PolarHBondContact O-N 3.25Å; E401-Y405 VanDerWaalsContact O-N 3.16Å; M402-Y405 WeakPolarHBondContact O-CB 3.18Å; M402-Y405 PolarHBondContact O-N 3.32Å; L403-Y405 VanDerWaalsContact C-N 3.32Å; L403-Y405 PolarHBondContact O-N 3.4Å; Y405-Q407 VanDerWaalsContact C-N 3.28Å; Y405-Q407 PolarHBondContact O-N 2.93Å; Y405-E408 PolarHBondContact O-N 3.38Å; Y405-R409 HydrophobicContact CD2-CG 3.99Å; Y405-R409 HydrophobicContact CE2-CG 3.51Å; Y405-R409 PolarHBondContact O-N 2.9Å |
| 406 | Q | 66.3 | Low | 63.6 | Low | 20 Ų | 20 | 65.8 Ų | 65.8 | 9% | 0.093 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -61.1 | -41.6 | -179.9 | -169 | 179.5 | -6.5 | 0 | 0 | 111.1 | S393 M402 L403 K404 R409 Q410 | S393-Q406 VanDerWaalsContact CB-NE2 3.26Å; S393-Q406 PolarHBondContact O-NE2 3.21Å; S393-Q406 PolarHBondContact OG-NE2 2.75Å; M402-Q406 PolarHBondContact O-N 3.44Å; L403-Q406 WeakPolarHBondContact O-CB 3.34Å; L403-Q406 PolarHBondContact O-N 3.06Å; K404-Q406 VanDerWaalsContact C-N 3.3Å; K404-Q406 PolarHBondContact O-N 3.33Å; Q406-R409 PolarHBondContact O-N 3.42Å; Q406-Q410 WeakPolarHBondContact O-CG 3.4Å; Q406-Q410 PolarHBondContact O-N 3.25Å |
| 407 | Q | 68.7 | Low | 62.9 | Low | 77 Ų | 77 | 68.4 Ų | 68.4 | 36% | 0.36 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -66.4 | -44.9 | 174.3 | -64.2 | 171 | -25.4 | 0 | 0 | 111.8 | L403 K404 Y405 R409 Q410 N411 | L403-Q407 PolarHBondContact O-N 3.13Å; K404-Q407 PolarHBondContact O-N 2.91Å; Y405-Q407 VanDerWaalsContact C-N 3.28Å; Y405-Q407 PolarHBondContact O-N 2.93Å; Q407-R409 VanDerWaalsContact C-N 3.27Å; Q407-R409 PolarHBondContact O-N 2.83Å; Q407-Q410 PolarHBondContact O-N 2.76Å; Q407-Q410 VanDerWaalsContact O-N 3.12Å; Q407-N411 VanDerWaalsContact O-CG 3.26Å; Q407-N411 PolarHBondContact O-N 3.02Å; Q407-N411 PolarHBondContact O-OD1 3.15Å |
| 408 | E | 71.3 | Confident | 61.8 | Low | 95 Ų | 95 | 70.6 Ų | 70.6 | 44% | 0.444 | 38% | 0.38 | S | S | . | . | H | α-helix | trans | -56.6 | -40.1 | 174.1 | -70.4 | 168.3 | 163.6 | 0 | 0 | 112.1 | R161 K404 Y405 S412 | R161-E408 IonicContact CZ-OE2 2.7Å; R161-E408 VanDerWaalsContact CZ-OE2 3.3Å; R161-E408 IonicContact NH1-OE2 2.73Å; R161-E408 PolarHBondContact NH1-OE2 3.09Å; R161-E408 IonicContact NH2-OE2 3.51Å; R161-E408 PolarHBondContact NH2-OE2 3.28Å; K404-E408 WeakPolarHBondContact O-CG 3.34Å; K404-E408 PolarHBondContact O-N 3.37Å; Y405-E408 PolarHBondContact O-N 3.38Å; E408-S412 WeakPolarHBondContact O-CB 3.46Å; E408-S412 PolarHBondContact O-N 2.95Å; E408-S412 VanDerWaalsContact O-N 3.15Å; E408-S412 PolarHBondContact O-OG 3.39Å |
| 409 | R | 65.4 | Low | 60.5 | Low | 140 Ų | 140 | 71.6 Ų | 71.6 | 53% | 0.528 | 40% | 0.4 | S | S | . | . | H | α-helix | trans | -71.1 | -34.2 | 175.1 | -82.6 | -158.7 | 64.4 | -167.4 | -3.9 | 113.9 | Y405 Q406 Q407 S412 A413 | Y405-R409 HydrophobicContact CD2-CG 3.99Å; Y405-R409 HydrophobicContact CE2-CG 3.51Å; Y405-R409 PolarHBondContact O-N 2.9Å; Q406-R409 PolarHBondContact O-N 3.42Å; Q407-R409 VanDerWaalsContact C-N 3.27Å; Q407-R409 PolarHBondContact O-N 2.83Å; R409-S412 WeakPolarHBondContact CA-OG 3.3Å; R409-S412 PolarHBondContact O-OG 2.96Å; R409-A413 VanDerWaalsContact O-CB 3.27Å; R409-A413 WeakPolarHBondContact O-CB 3.4Å; R409-A413 PolarHBondContact O-N 3.21Å |
| 410 | Q | 59.5 | Low | 58.9 | Low | 47 Ų | 47 | 75.5 Ų | 75.5 | 22% | 0.22 | 43% | 0.433 | C | S | . | . | H | α-helix | trans | -69.6 | -47.4 | 175.7 | -76.3 | 167.1 | -23.4 | 0 | 0 | 110.7 | L392 Q406 Q407 S412 A413 Q414 | L392-Q410 HydrophobicContact CD1-CG 4.32Å; L392-Q410 PolarHBondContact O-NE2 2.83Å; Q406-Q410 WeakPolarHBondContact O-CG 3.4Å; Q406-Q410 PolarHBondContact O-N 3.25Å; Q407-Q410 PolarHBondContact O-N 2.76Å; Q407-Q410 VanDerWaalsContact O-N 3.12Å; Q410-S412 VanDerWaalsContact C-N 3.35Å; Q410-S412 PolarHBondContact O-N 3.13Å; Q410-A413 PolarHBondContact O-N 2.78Å; Q410-A413 VanDerWaalsContact O-N 3.12Å; Q410-Q414 PolarHBondContact O-N 3.01Å |
| 411 | N | 63.4 | Low | 57.3 | Low | 92 Ų | 92 | 76.3 Ų | 76.3 | 49% | 0.492 | 45% | 0.445 | S | S | . | . | H | α-helix | trans | -60 | -42.6 | 178.1 | -64.8 | -1.1 | 0 | 0 | 0 | 112.2 | Q407 N415 | Q407-N411 VanDerWaalsContact O-CG 3.26Å; Q407-N411 PolarHBondContact O-N 3.02Å; Q407-N411 PolarHBondContact O-OD1 3.15Å; N411-N415 WeakPolarHBondContact O-CB 3.47Å; N411-N415 VanDerWaalsContact O-CG 3.27Å; N411-N415 PolarHBondContact O-N 3.32Å; N411-N415 PolarHBondContact O-ND2 2.94Å |
| 412 | S | 58.2 | Low | 55.5 | Low | 60 Ų | 60 | 75.5 Ų | 75.5 | 42% | 0.42 | 46% | 0.458 | S | S | . | . | H | α-helix | trans | -71.4 | -29.7 | 176.5 | 49.2 | 0 | 0 | 0 | 0 | 113.3 | E408 R409 Q410 N416 | E408-S412 WeakPolarHBondContact O-CB 3.46Å; E408-S412 PolarHBondContact O-N 2.95Å; E408-S412 VanDerWaalsContact O-N 3.15Å; E408-S412 PolarHBondContact O-OG 3.39Å; R409-S412 WeakPolarHBondContact CA-OG 3.3Å; R409-S412 PolarHBondContact O-OG 2.96Å; Q410-S412 VanDerWaalsContact C-N 3.35Å; Q410-S412 PolarHBondContact O-N 3.13Å; S412-N416 PolarHBondContact O-N 2.81Å |
| 413 | A | 57 | Low | 53.5 | Low | 53 Ų | 53 | 79 Ų | 79 | 44% | 0.438 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -71.2 | -43.5 | 171.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | R409 Q410 N416 A417 | R409-A413 VanDerWaalsContact O-CB 3.27Å; R409-A413 WeakPolarHBondContact O-CB 3.4Å; R409-A413 PolarHBondContact O-N 3.21Å; Q410-A413 PolarHBondContact O-N 2.78Å; Q410-A413 VanDerWaalsContact O-N 3.12Å; A413-N416 PolarHBondContact O-N 2.9Å; A413-A417 WeakPolarHBondContact O-CB 3.34Å; A413-A417 PolarHBondContact O-N 3.3Å |
| 414 | Q | 53.9 | Low | 52.1 | Low | 94 Ų | 94 | 84.2 Ų | 84.2 | 44% | 0.439 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -64 | -43.8 | 176.8 | -76.9 | -178.1 | -41.5 | 0 | 0 | 112 | E389 Q410 N416 A417 G418 | E389-Q414 PolarHBondContact OE2-NE2 3.07Å; Q410-Q414 PolarHBondContact O-N 3.01Å; Q414-N416 VanDerWaalsContact C-N 3.31Å; Q414-N416 PolarHBondContact O-N 2.7Å; Q414-A417 PolarHBondContact O-N 3.24Å; Q414-A417 VanDerWaalsContact O-N 3.15Å; Q414-G418 PolarHBondContact O-N 2.79Å |
| 415 | N | 48.3 | Very low | 50.4 | Low | 127 Ų | 127 | 87.8 Ų | 87.8 | 68% | 0.679 | 55% | 0.548 | S | S | * | . | H | α-helix | trans | -60.4 | -39.1 | 175.8 | -74.6 | -12.5 | 0 | 0 | 0 | 112.5 | N411 | N411-N415 WeakPolarHBondContact O-CB 3.47Å; N411-N415 VanDerWaalsContact O-CG 3.27Å; N411-N415 PolarHBondContact O-N 3.32Å; N411-N415 PolarHBondContact O-ND2 2.94Å |
| 416 | N | 45.4 | Very low | 48.6 | Very low | 128 Ų | 128 | 90.8 Ų | 90.8 | 68% | 0.684 | 58% | 0.58 | S | S | * | * | H | α-helix | trans | -74.2 | -30.7 | 175.2 | -75.3 | -10.6 | 0 | 0 | 0 | 113 | S412 A413 Q414 | S412-N416 PolarHBondContact O-N 2.81Å; A413-N416 PolarHBondContact O-N 2.9Å; Q414-N416 VanDerWaalsContact C-N 3.31Å; Q414-N416 PolarHBondContact O-N 2.7Å |
| 417 | A | 45.1 | Very low | 46.8 | Very low | 60 Ų | 60 | 94.6 Ų | 94.6 | 50% | 0.496 | 62% | 0.615 | S | S | . | * | H | α-helix | trans | -71 | -38.6 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | A413 Q414 A419 A420 | A413-A417 WeakPolarHBondContact O-CB 3.34Å; A413-A417 PolarHBondContact O-N 3.3Å; Q414-A417 PolarHBondContact O-N 3.24Å; Q414-A417 VanDerWaalsContact O-N 3.15Å; A417-A419 PolarHBondContact O-N 2.98Å; A417-A420 PolarHBondContact O-N 3.3Å |
| 418 | G | 40.2 | Very low | 44.7 | Very low | 57 Ų | 57 | 95.2 Ų | 95.2 | 59% | 0.588 | 63% | 0.633 | S | S | * | * | H | α-helix | trans | -60 | -32.4 | 176.8 | 0 | 0 | 0 | 0 | 0 | 113.5 | Q414 A420 | Q414-G418 PolarHBondContact O-N 2.79Å; G418-A420 VanDerWaalsContact C-N 3.26Å; G418-A420 PolarHBondContact O-N 2.77Å |
| 419 | A | 39.9 | Very low | 42.6 | Very low | 90 Ų | 90 | 96.2 Ų | 96.2 | 74% | 0.744 | 65% | 0.647 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -72.2 | -14 | 175.8 | 0 | 0 | 0 | 0 | 0 | 114.3 | A417 | A417-A419 PolarHBondContact O-N 2.98Š|
| 420 | A | 38.5 | Very low | 40.9 | Very low | 85 Ų | 85 | 98.8 Ų | 98.8 | 70% | 0.702 | 66% | 0.662 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -100.1 | -1.1 | -177.1 | 0 | 0 | 0 | 0 | 0 | 114.1 | A417 G418 | A417-A420 PolarHBondContact O-N 3.3Å; G418-A420 VanDerWaalsContact C-N 3.26Å; G418-A420 PolarHBondContact O-N 2.77Å |
| 421 | A | 35 | Very low | 39.4 | Very low | 89 Ų | 89 | 102.7 Ų | 102.7 | 74% | 0.736 | 69% | 0.689 | S | S | * | * | S | Bend | trans | -95.4 | 9.5 | -168.7 | 0 | 0 | 0 | 0 | 0 | 115.5 | ||
| 422 | A | 33.2 | Very low | 37.9 | Very low | 95 Ų | 95 | 104.8 Ų | 104.8 | 79% | 0.785 | 70% | 0.701 | S | S | * | * | S | Bend | trans | -125.1 | 106.3 | 176.8 | 0 | 0 | 0 | 0 | 0 | 110.8 | ||
| 423 | G | 27.9 | Very low | 36.7 | Very low | 75 Ų | 75 | 107.3 Ų | 107.3 | 77% | 0.773 | 72% | 0.718 | S | S | * | * | trans | -91.5 | -165.7 | 175.6 | 0 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 424 | P | 41.4 | Very low | 35.4 | Very low | 125 Ų | 125 | 112.5 Ų | 112.5 | 81% | 0.812 | 74% | 0.735 | S | S | * | * | cis | -117.9 | -156.3 | 9.2 | 43 | -30.9 | 0 | 0 | 0 | 113.5 | A426 | P424-A426 PolarHBondContact O-N 2.84Š| ||
| 425 | E | 35.8 | Very low | 34.3 | Very low | 200 Ų | 200 | 115.5 Ų | 115.5 | 94% | 0.935 | 75% | 0.751 | S | S | * | * | trans | -39.6 | 123.2 | -175.1 | -60.3 | 176.3 | 108.9 | 0 | 0 | 116.4 | ||||
| 426 | A | 26.5 | Very low | 33.7 | Very low | 98 Ų | 98 | 116.7 Ų | 116.7 | 81% | 0.81 | 76% | 0.758 | S | S | * | * | trans | -141.2 | 137.3 | 159.9 | 0 | 0 | 0 | 0 | 0 | 109.7 | P424 | P424-A426 PolarHBondContact O-N 2.84Š| ||
| 427 | A | 27.2 | Very low | 33.6 | Very low | 100 Ų | 100 | 114 Ų | 114 | 83% | 0.826 | 76% | 0.76 | S | S | * | * | trans | -69.1 | 146.1 | -177.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 428 | A | 26.5 | Very low | 33.3 | Very low | 89 Ų | 89 | 116.5 Ų | 116.5 | 74% | 0.736 | 76% | 0.762 | S | S | * | * | trans | -57.3 | 132.3 | -179.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | K430 | A428-K430 PolarHBondContact O-N 2.9Š| ||
| 429 | P | 26.3 | Very low | 33.5 | Very low | 116 Ų | 116 | 116.7 Ų | 116.7 | 75% | 0.753 | 75% | 0.754 | S | S | * | * | trans | -70.5 | 114.8 | -174.5 | 27.3 | -34.2 | 0 | 0 | 0 | 111.5 | V431 | P429-V431 PolarHBondContact O-N 2.95Š| ||
| 430 | K | 29.3 | Very low | 33.8 | Very low | 194 Ų | 194 | 118 Ų | 118 | 84% | 0.843 | 75% | 0.748 | S | S | * | * | trans | -72.4 | 94.2 | 168.7 | -71.1 | -177.5 | 177.9 | 178.5 | 0 | 109.9 | A428 N432 | A428-K430 PolarHBondContact O-N 2.9Å; K430-N432 VanDerWaalsContact C-N 3.35Å; K430-N432 PolarHBondContact O-N 2.92Å | ||
| 431 | V | 29.2 | Very low | 34.2 | Very low | 129 Ų | 129 | 119.9 Ų | 119.9 | 78% | 0.782 | 74% | 0.742 | S | S | * | * | trans | -75.5 | 87.6 | 173.2 | -175.2 | 0 | 0 | 0 | 0 | 109.7 | P429 S433 | P429-V431 PolarHBondContact O-N 2.95Å; V431-S433 PolarHBondContact O-N 2.97Å; V431-S433 VanDerWaalsContact O-N 3.12Å | ||
| 432 | N | 31.5 | Very low | 34.8 | Very low | 137 Ų | 137 | 118.6 Ų | 118.6 | 73% | 0.733 | 72% | 0.723 | S | S | * | * | trans | -71.4 | 97.3 | 167.3 | -78.4 | -4.8 | 0 | 0 | 0 | 109.4 | K430 M434 | K430-N432 VanDerWaalsContact C-N 3.35Å; K430-N432 PolarHBondContact O-N 2.92Å; N432-M434 PolarHBondContact O-N 2.92Å | ||
| 433 | S | 32.9 | Very low | 35.7 | Very low | 112 Ų | 112 | 117.7 Ų | 117.7 | 78% | 0.783 | 70% | 0.704 | S | S | * | * | trans | -86 | 105.2 | 167.7 | -169.8 | 0 | 0 | 0 | 0 | 109.8 | V431 | V431-S433 PolarHBondContact O-N 2.97Å; V431-S433 VanDerWaalsContact O-N 3.12Å | ||
| 434 | M | 28.9 | Very low | 36.8 | Very low | 162 Ų | 162 | 122.3 Ų | 122.3 | 80% | 0.798 | 70% | 0.698 | S | S | * | * | trans | -101.5 | 133.8 | 171.5 | -76.5 | -176.7 | 166.5 | 0 | 0 | 110.2 | N432 | N432-M434 PolarHBondContact O-N 2.92Š| ||
| 435 | M | 32 | Very low | 37.2 | Very low | 157 Ų | 157 | 121 Ų | 121 | 77% | 0.773 | 68% | 0.679 | S | S | * | * | S | Bend | trans | -136.2 | 124.7 | 165.1 | -165.3 | 67.3 | 172.7 | 0 | 0 | 108.1 | G437 | M435-G437 PolarHBondContact O-N 3.07Å; M435-G437 VanDerWaalsContact O-N 3.09Å |
| 436 | N | 35.7 | Very low | 37.9 | Very low | 153 Ų | 153 | 114.3 Ų | 114.3 | 82% | 0.818 | 65% | 0.65 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 56.1 | 17.1 | 179.9 | -65.7 | 4.7 | 0 | 0 | 0 | 118 | E438 | N436-E438 PolarHBondContact O-N 2.96Š|
| 437 | G | 42.5 | Very low | 39 | Very low | 72 Ų | 72 | 113 Ų | 113 | 74% | 0.742 | 63% | 0.629 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 78.6 | -3.5 | 159.9 | 0 | 0 | 0 | 0 | 0 | 118.2 | M435 | M435-G437 PolarHBondContact O-N 3.07Å; M435-G437 VanDerWaalsContact O-N 3.09Å |
| 438 | E | 39.4 | Very low | 40 | Very low | 112 Ų | 112 | 113.9 Ų | 113.9 | 52% | 0.523 | 62% | 0.619 | S | S | . | * | trans | -88 | 148 | 168.1 | -68.4 | -161.1 | 149.9 | 0 | 0 | 111.7 | N436 I443 | N436-E438 PolarHBondContact O-N 2.96Å; E438-I443 HydrophobicContact CB-CG1 4.19Å | ||
| 439 | S | 44.6 | Very low | 41.1 | Very low | 60 Ų | 60 | 117.8 Ų | 117.8 | 42% | 0.42 | 62% | 0.62 | S | S | . | * | trans | -71.6 | 147.7 | 173.3 | -178.5 | 0 | 0 | 0 | 0 | 111.6 | E441 D442 I443 | S439-E441 PolarHBondContact O-N 3.33Å; S439-E441 VanDerWaalsContact O-N 3.16Å; S439-E441 PolarHBondContact OG-N 3.34Å; S439-D442 VanDerWaalsContact CB-OD2 3.3Å; S439-D442 WeakPolarHBondContact CB-OD2 3.49Å; S439-D442 PolarHBondContact O-N 2.9Å; S439-I443 WeakPolarHBondContact O-CG1 3.33Å; S439-I443 PolarHBondContact O-N 2.93Å | ||
| 440 | L | 44.9 | Very low | 42.3 | Very low | 118 Ų | 118 | 119.9 Ų | 119.9 | 62% | 0.618 | 62% | 0.617 | S | S | * | * | H | α-helix | trans | -61.8 | -22.8 | 175.6 | -140.2 | 156.7 | 0 | 0 | 0 | 112.3 | ||
| 441 | E | 46.6 | Very low | 43.1 | Very low | 124 Ų | 124 | 115 Ų | 115 | 58% | 0.579 | 60% | 0.597 | S | S | * | * | H | α-helix | trans | -74.2 | -37.5 | 168.3 | -64.8 | -164.1 | 167.1 | 0 | 0 | 113.6 | S439 R444 K445 | S439-E441 PolarHBondContact O-N 3.33Å; S439-E441 VanDerWaalsContact O-N 3.16Å; S439-E441 PolarHBondContact OG-N 3.34Å; E441-R444 WeakPolarHBondContact O-CB 3.39Å; E441-R444 PolarHBondContact O-N 3.39Å; E441-K445 WeakPolarHBondContact O-CG 3.29Å; E441-K445 PolarHBondContact O-N 3.3Å; E441-K445 IonicContact OE2-NZ 3.12Å; E441-K445 PolarHBondContact OE2-NZ 2.79Å; E441-K445 VanDerWaalsContact OE2-NZ 3.12Å |
| 442 | D | 47.8 | Very low | 44.3 | Very low | 63 Ų | 63 | 114.1 Ų | 114.1 | 34% | 0.337 | 59% | 0.592 | S | S | . | * | H | α-helix | trans | -77.8 | -32.3 | -175 | -60.9 | -34.9 | 0 | 0 | 0 | 110.8 | S439 R444 K445 N446 | S439-D442 VanDerWaalsContact CB-OD2 3.3Å; S439-D442 WeakPolarHBondContact CB-OD2 3.49Å; S439-D442 PolarHBondContact O-N 2.9Å; D442-R444 VanDerWaalsContact C-N 3.3Å; D442-R444 PolarHBondContact O-N 2.87Å; D442-K445 PolarHBondContact O-N 3.25Å; D442-K445 WeakPolarHBondContact OD1-CD 3.45Å; D442-K445 IonicContact OD1-NZ 2.76Å; D442-K445 PolarHBondContact OD1-NZ 3.08Å; D442-N446 VanDerWaalsContact O-CB 3.29Å; D442-N446 WeakPolarHBondContact O-CB 3.38Å; D442-N446 PolarHBondContact O-N 3.07Å |
| 443 | I | 53.7 | Low | 45.3 | Very low | 75 Ų | 75 | 111.3 Ų | 111.3 | 39% | 0.385 | 57% | 0.574 | S | S | . | * | H | α-helix | trans | -55.9 | -44.3 | 164.7 | -65 | 169.7 | 0 | 0 | 0 | 110.5 | E438 S439 N446 L447 | E438-I443 HydrophobicContact CB-CG1 4.19Å; S439-I443 WeakPolarHBondContact O-CG1 3.33Å; S439-I443 PolarHBondContact O-N 2.93Å; I443-N446 PolarHBondContact O-N 3.44Å; I443-L447 HydrophobicContact CG2-CD1 4.15Å; I443-L447 WeakPolarHBondContact O-CB 3.2Å; I443-L447 WeakPolarHBondContact O-CG 3.3Å; I443-L447 PolarHBondContact O-N 2.85Å |
| 444 | R | 49.3 | Very low | 46.5 | Very low | 173 Ų | 173 | 110.1 Ų | 110.1 | 65% | 0.653 | 56% | 0.562 | S | S | * | * | H | α-helix | trans | -64.5 | -44 | 174.5 | -85.6 | -179.9 | 166.3 | 143.8 | -3 | 112.6 | E441 D442 N446 L447 L448 | E441-R444 WeakPolarHBondContact O-CB 3.39Å; E441-R444 PolarHBondContact O-N 3.39Å; D442-R444 VanDerWaalsContact C-N 3.3Å; D442-R444 PolarHBondContact O-N 2.87Å; R444-N446 VanDerWaalsContact C-N 3.34Å; R444-N446 PolarHBondContact O-N 3.43Å; R444-L447 PolarHBondContact O-N 2.84Å; R444-L448 WeakPolarHBondContact O-CG 3.44Å; R444-L448 PolarHBondContact O-N 2.92Å; R444-L448 VanDerWaalsContact O-N 3.08Å |
| 445 | K | 50 | Low | 47.2 | Very low | 96 Ų | 96 | 109.7 Ų | 109.7 | 42% | 0.417 | 55% | 0.552 | S | S | . | * | H | α-helix | trans | -63.3 | -38.2 | 176.8 | -65.6 | 162.9 | -155.7 | 155.2 | 0 | 111.7 | E441 D442 K449 | E441-K445 WeakPolarHBondContact O-CG 3.29Å; E441-K445 PolarHBondContact O-N 3.3Å; E441-K445 IonicContact OE2-NZ 3.12Å; E441-K445 PolarHBondContact OE2-NZ 2.79Å; E441-K445 VanDerWaalsContact OE2-NZ 3.12Å; D442-K445 PolarHBondContact O-N 3.25Å; D442-K445 WeakPolarHBondContact OD1-CD 3.45Å; D442-K445 IonicContact OD1-NZ 2.76Å; D442-K445 PolarHBondContact OD1-NZ 3.08Å; K445-K449 WeakPolarHBondContact O-CG 3.39Å; K445-K449 PolarHBondContact O-N 2.97Å |
| 446 | N | 50.5 | Low | 48.3 | Very low | 61 Ų | 61 | 104.8 Ų | 104.8 | 33% | 0.326 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -73.4 | -32.9 | 177.8 | -78.4 | -22.5 | 0 | 0 | 0 | 112.9 | D442 I443 R444 K449 | D442-N446 VanDerWaalsContact O-CB 3.29Å; D442-N446 WeakPolarHBondContact O-CB 3.38Å; D442-N446 PolarHBondContact O-N 3.07Å; I443-N446 PolarHBondContact O-N 3.44Å; R444-N446 VanDerWaalsContact C-N 3.34Å; R444-N446 PolarHBondContact O-N 3.43Å; N446-K449 PolarHBondContact O-N 3.14Å |
| 447 | L | 50.1 | Low | 49.4 | Very low | 70 Ų | 70 | 103 Ų | 103 | 37% | 0.366 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -66.8 | -44.1 | 171.2 | -76.9 | 167.3 | 0 | 0 | 0 | 111.9 | I443 R444 K449 K450 I468 | I443-L447 HydrophobicContact CG2-CD1 4.15Å; I443-L447 WeakPolarHBondContact O-CB 3.2Å; I443-L447 WeakPolarHBondContact O-CG 3.3Å; I443-L447 PolarHBondContact O-N 2.85Å; R444-L447 PolarHBondContact O-N 2.84Å; L447-K449 VanDerWaalsContact C-N 3.26Å; L447-K449 PolarHBondContact O-N 3.46Å; L447-K450 PolarHBondContact O-N 2.81Å; L447-I468 HydrophobicContact CD1-CD1 4.14Å |
| 448 | L | 49.2 | Very low | 50.2 | Low | 119 Ų | 119 | 105 Ų | 105 | 62% | 0.623 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -60.1 | -34.5 | 175.7 | -74 | 164.7 | 0 | 0 | 0 | 112.5 | R444 K450 Q451 | R444-L448 WeakPolarHBondContact O-CG 3.44Å; R444-L448 PolarHBondContact O-N 2.92Å; R444-L448 VanDerWaalsContact O-N 3.08Å; L448-K450 VanDerWaalsContact C-N 3.26Å; L448-K450 PolarHBondContact O-N 2.97Å; L448-Q451 WeakPolarHBondContact O-CB 3.36Å; L448-Q451 PolarHBondContact O-N 2.85Å |
| 449 | K | 49.6 | Very low | 50.8 | Low | 171 Ų | 171 | 101.8 Ų | 101.8 | 74% | 0.743 | 53% | 0.527 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.1 | -15.8 | 173.8 | -75.1 | 177.1 | -179.4 | 174.5 | 0 | 114.7 | K445 N446 L447 | K445-K449 WeakPolarHBondContact O-CG 3.39Å; K445-K449 PolarHBondContact O-N 2.97Å; N446-K449 PolarHBondContact O-N 3.14Å; L447-K449 VanDerWaalsContact C-N 3.26Å; L447-K449 PolarHBondContact O-N 3.46Å |
| 450 | K | 50.8 | Low | 51.1 | Low | 160 Ų | 160 | 108 Ų | 108 | 70% | 0.696 | 54% | 0.542 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -97.2 | 4.3 | 179 | -74.6 | -177.3 | 175.3 | 178 | 0 | 113.8 | L447 L448 V452 | L447-K450 PolarHBondContact O-N 2.81Å; L448-K450 VanDerWaalsContact C-N 3.26Å; L448-K450 PolarHBondContact O-N 2.97Å; K450-V452 PolarHBondContact O-N 3.37Å; K450-V452 VanDerWaalsContact O-N 3.1Å |
| 451 | Q | 46.5 | Very low | 51.9 | Low | 92 Ų | 92 | 109.6 Ų | 109.6 | 43% | 0.43 | 54% | 0.539 | S | S | . | . | trans | -74.5 | 96.9 | 178.2 | -174.5 | 176.8 | -40.9 | 0 | 0 | 111.1 | L448 E453 I463 | L448-Q451 WeakPolarHBondContact O-CB 3.36Å; L448-Q451 PolarHBondContact O-N 2.85Å; Q451-E453 PolarHBondContact O-N 2.83Å; Q451-I463 HydrophobicContact CG-CG2 3.99Å | ||
| 452 | V | 54.8 | Low | 51.9 | Low | 109 Ų | 109 | 112.8 Ų | 112.8 | 66% | 0.661 | 55% | 0.546 | S | S | * | . | trans | -70.9 | 116.5 | 177.3 | -177.7 | 0 | 0 | 0 | 0 | 110.2 | K450 | K450-V452 PolarHBondContact O-N 3.37Å; K450-V452 VanDerWaalsContact O-N 3.1Å | ||
| 453 | E | 51.6 | Low | 52.4 | Low | 79 Ų | 79 | 114.1 Ų | 114.1 | 37% | 0.369 | 55% | 0.553 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -100.5 | 113.8 | 175.3 | -178.7 | 179.8 | -135.2 | 0 | 0 | 110.3 | Q451 R461 I463 | Q451-E453 PolarHBondContact O-N 2.83Å; E453-R461 HydrophobicContact CG-CB 4.37Å; E453-R461 WeakPolarHBondContact OE1-CB 3.25Å; E453-R461 WeakPolarHBondContact OE1-CD 3.12Å; E453-R461 WeakPolarHBondContact OE1-CG 3.26Å; E453-R461 IonicContact OE1-CZ 3.61Å; E453-R461 IonicContact OE1-NE 3.61Å; E453-R461 IonicContact OE1-NH1 2.96Å; E453-R461 PolarHBondContact OE1-NH1 2.77Å; E453-R461 IonicContact OE2-CZ 3.85Å; E453-R461 IonicContact OE2-NH1 2.75Å; E453-R461 PolarHBondContact OE2-NH1 3.31Å; E453-I463 HydrophobicContact CG-CG1 4.45Å |
| 454 | T | 57.3 | Low | 51.9 | Low | 87 Ų | 87 | 115.5 Ų | 115.5 | 53% | 0.534 | 57% | 0.565 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -100.1 | 125.1 | 177.5 | -51.4 | 0 | 0 | 0 | 0 | 109.6 | R462 | T454-R462 PolarHBondContact N-O 2.93Å; T454-R462 PolarHBondContact O-N 2.84Å |
| 455 | R | 43.8 | Very low | 51.4 | Low | 153 Ų | 153 | 113 Ų | 113 | 58% | 0.577 | 57% | 0.57 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -93.1 | 140.9 | 170.8 | -69.2 | -170.7 | -179 | -162.9 | 4.7 | 111.2 | R460 R461 | R455-R460 WeakPolarHBondContact CA-O 3.47Å; R455-R461 HydrophobicContact CG-CG 4.36Å |
| 456 | T | 56.1 | Low | 51 | Low | 54 Ų | 54 | 114.1 Ų | 114.1 | 33% | 0.331 | 58% | 0.58 | S | S | . | * | P | Polyproline II helix | trans | -83.5 | 163.4 | 163.5 | 52.8 | 0 | 0 | 0 | 0 | 110.6 | D458 G459 R460 | T456-D458 WeakPolarHBondContact CB-OD1 3.41Å; T456-D458 PolarHBondContact O-N 2.87Å; T456-D458 PolarHBondContact OG1-OD1 2.87Å; T456-D458 VanDerWaalsContact OG1-OD1 3.07Å; T456-D458 PolarHBondContact OG1-OD2 2.78Å; T456-G459 PolarHBondContact O-N 3.18Å; T456-R460 PolarHBondContact N-O 2.95Å; T456-R460 VanDerWaalsContact N-O 3.08Å; T456-R460 PolarHBondContact OG1-O 2.61Å |
| 457 | A | 57.6 | Low | 50.4 | Low | 114 Ų | 114 | 117.4 Ų | 117.4 | 94% | 0.942 | 61% | 0.607 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -61.9 | -30.5 | -178.3 | 0 | 0 | 0 | 0 | 0 | 112.7 | G459 | A457-G459 PolarHBondContact O-N 2.9Å; A457-G459 VanDerWaalsContact O-N 3.13Å |
| 458 | D | 60.2 | Low | 49.7 | Very low | 115 Ų | 115 | 119.8 Ų | 119.8 | 62% | 0.615 | 62% | 0.619 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -70.9 | 13.7 | 169.2 | 49 | -73.3 | 0 | 0 | 0 | 114.3 | T456 R460 | T456-D458 WeakPolarHBondContact CB-OD1 3.41Å; T456-D458 PolarHBondContact O-N 2.87Å; T456-D458 PolarHBondContact OG1-OD1 2.87Å; T456-D458 VanDerWaalsContact OG1-OD1 3.07Å; T456-D458 PolarHBondContact OG1-OD2 2.78Å; D458-R460 PolarHBondContact O-N 3.06Å; D458-R460 VanDerWaalsContact O-N 3.11Å |
| 459 | G | 52.7 | Low | 49 | Very low | 44 Ų | 44 | 118.3 Ų | 118.3 | 45% | 0.454 | 62% | 0.624 | S | S | . | * | S | Bend | trans | 76.1 | -4.7 | 168 | 0 | 0 | 0 | 0 | 0 | 115.8 | T456 A457 | T456-G459 PolarHBondContact O-N 3.18Å; A457-G459 PolarHBondContact O-N 2.9Å; A457-G459 VanDerWaalsContact O-N 3.13Å |
| 460 | R | 51 | Low | 48.2 | Very low | 191 Ų | 191 | 119.3 Ų | 119.3 | 72% | 0.721 | 63% | 0.631 | S | S | * | * | trans | -77.7 | 136.6 | -178.8 | -66.8 | -177.5 | 175.7 | -163.5 | -1.6 | 111 | R455 T456 D458 | R455-R460 WeakPolarHBondContact CA-O 3.47Å; T456-R460 PolarHBondContact N-O 2.95Å; T456-R460 VanDerWaalsContact N-O 3.08Å; T456-R460 PolarHBondContact OG1-O 2.61Å; D458-R460 PolarHBondContact O-N 3.06Å; D458-R460 VanDerWaalsContact O-N 3.11Å | ||
| 461 | R | 61.1 | Low | 47.1 | Very low | 151 Ų | 151 | 119 Ų | 119 | 57% | 0.57 | 64% | 0.636 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -85.5 | 133.5 | 179.3 | -64.3 | 161.9 | 174.4 | -103.7 | 11.8 | 109.6 | E453 R455 | E453-R461 HydrophobicContact CG-CB 4.37Å; E453-R461 WeakPolarHBondContact OE1-CB 3.25Å; E453-R461 WeakPolarHBondContact OE1-CD 3.12Å; E453-R461 WeakPolarHBondContact OE1-CG 3.26Å; E453-R461 IonicContact OE1-CZ 3.61Å; E453-R461 IonicContact OE1-NE 3.61Å; E453-R461 IonicContact OE1-NH1 2.96Å; E453-R461 PolarHBondContact OE1-NH1 2.77Å; E453-R461 IonicContact OE2-CZ 3.85Å; E453-R461 IonicContact OE2-NH1 2.75Å; E453-R461 PolarHBondContact OE2-NH1 3.31Å; R455-R461 HydrophobicContact CG-CG 4.36Å |
| 462 | R | 46.4 | Very low | 46.3 | Very low | 191 Ų | 191 | 122.4 Ų | 122.4 | 72% | 0.721 | 66% | 0.657 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -121 | 137.8 | 165.6 | -72.8 | -172.9 | 177.6 | -125.4 | 3.6 | 110 | T454 | T454-R462 PolarHBondContact N-O 2.93Å; T454-R462 PolarHBondContact O-N 2.84Å |
| 463 | I | 58.1 | Low | 45.1 | Very low | 92 Ų | 92 | 123.4 Ų | 123.4 | 47% | 0.472 | 66% | 0.664 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -120.1 | 130.7 | -179.3 | -67.8 | 162.7 | 0 | 0 | 0 | 107.5 | Q451 E453 | Q451-I463 HydrophobicContact CG-CG2 3.99Å; E453-I463 HydrophobicContact CG-CG1 4.45Å |
| 464 | T | 42.7 | Very low | 44.1 | Very low | 104 Ų | 104 | 123.1 Ų | 123.1 | 64% | 0.638 | 68% | 0.682 | S | S | * | * | trans | -90.2 | 123.5 | 172.5 | -59.7 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 465 | P | 39.2 | Very low | 42.8 | Very low | 119 Ų | 119 | 125.9 Ų | 125.9 | 77% | 0.773 | 69% | 0.693 | S | S | * | * | trans | -71.9 | 141.1 | 178.6 | 29.4 | -34.2 | 0 | 0 | 0 | 111.5 | ||||
| 466 | L | 41.6 | Very low | 42 | Very low | 120 Ų | 120 | 127.6 Ų | 127.6 | 63% | 0.628 | 71% | 0.705 | S | S | * | * | trans | -107.4 | 132.9 | 172.5 | -80.8 | 161.8 | 0 | 0 | 0 | 109.7 | ||||
| 467 | C | 37.6 | Very low | 40.6 | Very low | 131 Ų | 131 | 130.9 Ų | 130.9 | 89% | 0.885 | 73% | 0.731 | S | S | * | * | trans | -78.5 | 137.4 | 175.6 | -169.1 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 468 | I | 36.8 | Very low | 39.3 | Very low | 120 Ų | 120 | 129.9 Ų | 129.9 | 62% | 0.615 | 72% | 0.715 | S | S | * | * | trans | -119.9 | 122.8 | 174.7 | -57.1 | 175.7 | 0 | 0 | 0 | 107.1 | L447 | L447-I468 HydrophobicContact CD1-CD1 4.14Š| ||
| 469 | A | 33.6 | Very low | 37.6 | Very low | 88 Ų | 88 | 129.5 Ų | 129.5 | 73% | 0.727 | 73% | 0.727 | S | S | * | * | P | Polyproline II helix | trans | -70.6 | 141.8 | 176.9 | 0 | 0 | 0 | 0 | 0 | 111.3 | ||
| 470 | Q | 32.3 | Very low | 36.4 | Very low | 192 Ų | 192 | 134.8 Ų | 134.8 | 90% | 0.897 | 74% | 0.744 | S | S | * | * | P | Polyproline II helix | trans | -80 | 149.3 | 169.9 | -76.3 | 176.5 | -117.4 | 0 | 0 | 110.7 | ||
| 471 | L | 27.9 | Very low | 35.2 | Very low | 153 Ų | 153 | 133.7 Ų | 133.7 | 80% | 0.801 | 75% | 0.745 | S | S | * | * | P | Polyproline II helix | trans | -75.8 | 148 | 169.8 | -84.4 | 73.9 | 0 | 0 | 0 | 110.6 | ||
| 472 | D | 30.5 | Very low | 33.5 | Very low | 163 Ų | 163 | 133.7 Ų | 133.7 | 87% | 0.872 | 76% | 0.756 | S | S | * | * | P | Polyproline II helix | trans | -65.3 | 138.5 | 170 | -92.9 | -48.6 | 0 | 0 | 0 | 112.6 | ||
| 473 | T | 28.8 | Very low | 32.5 | Very low | 131 Ų | 131 | 128.9 Ų | 128.9 | 80% | 0.804 | 75% | 0.752 | S | S | * | * | trans | -135.5 | 128.2 | 154.6 | 52 | 0 | 0 | 0 | 0 | 106 | ||||
| 474 | G | 31 | Very low | 31.3 | Very low | 72 Ų | 72 | 128.9 Ų | 128.9 | 74% | 0.742 | 77% | 0.766 | S | S | * | * | trans | -61.6 | 157.9 | -164.1 | 0 | 0 | 0 | 0 | 0 | 116.7 | ||||
| 475 | D | 28.9 | Very low | 30.6 | Very low | 145 Ų | 145 | 129.8 Ų | 129.8 | 78% | 0.775 | 77% | 0.773 | S | S | * | * | S | Bend | trans | 70.1 | 142 | 172.6 | -59.6 | -31.6 | 0 | 0 | 0 | 119.2 | ||
| 476 | F | 28.9 | Very low | 30 | Very low | 189 Ų | 189 | 131.9 Ų | 131.9 | 83% | 0.829 | 78% | 0.777 | S | S | * | * | trans | 72.5 | 88.4 | 176.1 | -50.4 | -73.7 | 0 | 0 | 0 | 117.8 | ||||
| 477 | S | 26.2 | Very low | 29.3 | Very low | 123 Ų | 123 | 133.7 Ų | 133.7 | 86% | 0.86 | 79% | 0.786 | S | S | * | * | trans | -56.5 | 130.8 | 169.2 | -46.2 | 0 | 0 | 0 | 0 | 113 | ||||
| 478 | P | 29.6 | Very low | 28.7 | Very low | 94 Ų | 94 | 132.5 Ų | 132.5 | 61% | 0.61 | 78% | 0.776 | S | S | * | * | trans | -82.7 | 132.2 | 174.2 | 32.1 | -32.7 | 0 | 0 | 0 | 111.8 | L480 | P478-L480 PolarHBondContact O-N 3.36Š| ||
| 479 | A | 25.5 | Very low | 28.2 | Very low | 106 Ų | 106 | 132.4 Ų | 132.4 | 88% | 0.876 | 79% | 0.786 | S | S | * | * | trans | -77.5 | 116 | 166.2 | 0 | 0 | 0 | 0 | 0 | 110 | ||||
| 480 | L | 27.3 | Very low | 27.9 | Very low | 155 Ų | 155 | 132 Ų | 132 | 81% | 0.812 | 79% | 0.791 | S | S | * | * | trans | -113.3 | 154.5 | 169.1 | -71.8 | 176.2 | 0 | 0 | 0 | 110.3 | P478 N482 | P478-L480 PolarHBondContact O-N 3.36Å; L480-N482 PolarHBondContact O-N 2.91Å | ||
| 481 | F | 24.9 | Very low | 27.6 | Very low | 168 Ų | 168 | 127.8 Ų | 127.8 | 74% | 0.737 | 78% | 0.783 | S | S | * | * | S | Bend | trans | -64.6 | 116.2 | -173.7 | -83.8 | -112.5 | 0 | 0 | 0 | 112.2 | I126 | I126-F481 HydrophobicContact CD1-CE2 4.44Å; I126-F481 HydrophobicContact CD1-CZ 4.1Å |
| 482 | N | 26.3 | Very low | 27.5 | Very low | 151 Ų | 151 | 126 Ų | 126 | 81% | 0.807 | 78% | 0.783 | S | S | * | * | S | Bend | trans | 21.7 | 102.7 | 163.1 | -67.3 | -0.5 | 0 | 0 | 0 | 119.1 | L480 | L480-N482 PolarHBondContact O-N 2.91Š|
| 483 | S | 24.3 | Very low | 27.2 | Very low | 91 Ų | 91 | 126 Ų | 126 | 64% | 0.636 | 78% | 0.782 | S | S | * | * | 169.7 | 134.2 | 106.9 | -71.5 | 0 | 0 | 0 | 0 | 111.3 | |||||
| 484 | A | 34.5 | Very low | 27.1 | Very low | 91 Ų | 91 | 124.9 Ų | 124.9 | 75% | 0.752 | 78% | 0.78 | S | S | * | * | trans | -82.7 | 167.6 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 485 | P | 26.4 | Very low | 26.8 | Very low | 123 Ų | 123 | 129.4 Ų | 129.4 | 80% | 0.799 | 79% | 0.787 | S | S | * | * | -139.3 | 146.2 | 106.6 | 37.3 | -26.7 | 0 | 0 | 0 | 115 | |||||
| 486 | I | 26.6 | Very low | 26.8 | Very low | 164 Ų | 164 | 131 Ų | 131 | 84% | 0.841 | 79% | 0.79 | S | S | * | * | P | Polyproline II helix | trans | -87.8 | 132.2 | 157.7 | -72.4 | 167.1 | 0 | 0 | 0 | 107.5 | ||
| 487 | L | 27.6 | Very low | 26.6 | Very low | 158 Ų | 158 | 129.8 Ų | 129.8 | 83% | 0.827 | 79% | 0.79 | S | S | * | * | P | Polyproline II helix | trans | -80.2 | 147.6 | 169.4 | -85.6 | 169 | 0 | 0 | 0 | 111 | ||
| 488 | P | 25.2 | Very low | 26.5 | Very low | 105 Ų | 105 | 128.1 Ų | 128.1 | 68% | 0.682 | 78% | 0.784 | S | S | * | * | P | Polyproline II helix | trans | -83.7 | 132.3 | -167.1 | 32.3 | -35.4 | 0 | 0 | 0 | 114.5 | ||
| 489 | S | 26.7 | Very low | 26.9 | Very low | 118 Ų | 118 | 128.6 Ų | 128.6 | 83% | 0.825 | 79% | 0.787 | S | S | * | * | trans | 35.7 | 118 | 140.2 | 61.8 | 0 | 0 | 0 | 0 | 120.8 | ||||
| 490 | G | 25.5 | Very low | 26.8 | Very low | 80 Ų | 80 | 131 Ų | 131 | 83% | 0.825 | 78% | 0.78 | S | S | * | * | trans | -121.6 | 106 | 158.6 | 0 | 0 | 0 | 0 | 0 | 111 | ||||
| 491 | S | 27.1 | Very low | 26.7 | Very low | 104 Ų | 104 | 129.7 Ų | 129.7 | 73% | 0.727 | 77% | 0.773 | S | S | * | * | trans | -47.9 | 148.2 | -178.7 | 49.4 | 0 | 0 | 0 | 0 | 116.8 | L493 | S491-L493 PolarHBondContact O-N 3.18Š| ||
| 492 | S | 25.5 | Very low | 26.7 | Very low | 116 Ų | 116 | 128.4 Ų | 128.4 | 81% | 0.811 | 77% | 0.774 | S | S | * | * | trans | -57.9 | 127.3 | 159.9 | 53.8 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 493 | L | 23.7 | Very low | 26.8 | Very low | 161 Ų | 161 | 125.2 Ų | 125.2 | 84% | 0.843 | 76% | 0.764 | S | S | * | * | trans | -129 | 112.2 | 154.6 | -88.4 | 173 | 0 | 0 | 0 | 109.1 | S491 | S491-L493 PolarHBondContact O-N 3.18Š| ||
| 494 | S | 28 | Very low | 26.8 | Very low | 109 Ų | 109 | 128.4 Ų | 128.4 | 76% | 0.762 | 77% | 0.774 | S | S | * | * | trans | -69 | 137.3 | 160.4 | 50.9 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 495 | N | 23.6 | Very low | 26.5 | Very low | 167 Ų | 167 | 129.4 Ų | 129.4 | 89% | 0.893 | 78% | 0.775 | S | S | * | * | trans | -140.6 | 110 | 158 | -117.1 | -7.2 | 0 | 0 | 0 | 109.9 | ||||
| 496 | Q | 29 | Very low | 26.3 | Very low | 177 Ų | 177 | 128.9 Ų | 128.9 | 83% | 0.827 | 77% | 0.774 | S | S | * | * | trans | -85 | 138.6 | 159.9 | -72.5 | 177.6 | -27.4 | 0 | 0 | 108.2 | ||||
| 497 | I | 26.2 | Very low | 27.4 | Very low | 165 Ų | 165 | 127.4 Ų | 127.4 | 85% | 0.846 | 78% | 0.775 | S | S | * | * | trans | 24.6 | 102.2 | 138.9 | -55 | 170.3 | 0 | 0 | 0 | 115.6 | ||||
| 498 | A | 23.9 | Very low | 27.3 | Very low | 88 Ų | 88 | 123.8 Ų | 123.8 | 73% | 0.727 | 78% | 0.776 | S | S | * | * | trans | -67.7 | 158.9 | 152.9 | 0 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 499 | P | 36.8 | Very low | 27.3 | Very low | 103 Ų | 103 | 127.8 Ų | 127.8 | 67% | 0.669 | 79% | 0.786 | S | S | * | * | cis | -142.7 | 168.6 | 30.4 | 36.9 | -15.9 | 0 | 0 | 0 | 117.7 | ||||
| 500 | Q | 24.6 | Very low | 28 | Very low | 156 Ų | 156 | 126.8 Ų | 126.8 | 73% | 0.729 | 78% | 0.776 | S | S | * | * | 162.8 | 135.9 | 115 | -81.6 | -58.8 | 4.5 | 0 | 0 | 113.5 | |||||
| 501 | L | 25.5 | Very low | 28 | Very low | 129 Ų | 129 | 127.6 Ų | 127.6 | 68% | 0.675 | 77% | 0.77 | S | S | * | * | trans | 47.7 | 125.1 | 146.7 | -66.7 | 160.8 | 0 | 0 | 0 | 123.5 | ||||
| 502 | N | 23.9 | Very low | 28 | Very low | 140 Ų | 140 | 127.6 Ų | 127.6 | 75% | 0.749 | 77% | 0.77 | S | S | * | * | trans | 64.8 | 153.5 | 134.4 | -66.7 | 14.6 | 0 | 0 | 0 | 120.8 | ||||
| 503 | S | 27.6 | Very low | 27.9 | Very low | 84 Ų | 84 | 130.7 Ų | 130.7 | 59% | 0.587 | 78% | 0.776 | S | S | * | * | cis | -173.3 | 144.8 | -21.2 | 49.8 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 504 | D | 25 | Very low | 27.9 | Very low | 159 Ų | 159 | 126.9 Ų | 126.9 | 85% | 0.85 | 78% | 0.776 | S | S | * | * | trans | 62 | 157.6 | 160.7 | -61.3 | -26.8 | 0 | 0 | 0 | 118 | ||||
| 505 | S | 27.9 | Very low | 27.8 | Very low | 111 Ų | 111 | 126.3 Ų | 126.3 | 78% | 0.776 | 78% | 0.778 | S | S | * | * | cis | -155 | 151.9 | -12.4 | 45.1 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 506 | S | 22.9 | Very low | 27.9 | Very low | 113 Ų | 113 | 128.9 Ų | 128.9 | 79% | 0.79 | 78% | 0.775 | S | S | * | * | trans | -93.8 | -173.8 | 164.8 | -35 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 507 | P | 48.7 | Very low | 28.1 | Very low | 132 Ų | 132 | 126.2 Ų | 126.2 | 86% | 0.857 | 77% | 0.773 | S | S | * | * | cis | -128.5 | -177.5 | -22.4 | 34.1 | -15.5 | 0 | 0 | 0 | 112.7 | ||||
| 508 | G | 26.1 | Very low | 28.1 | Very low | 82 Ų | 82 | 124 Ų | 124 | 85% | 0.845 | 76% | 0.763 | S | S | * | * | trans | -171.4 | 112.4 | 171.4 | 0 | 0 | 0 | 0 | 0 | 116.6 | ||||
| 509 | Q | 25.2 | Very low | 28.5 | Very low | 190 Ų | 190 | 126.9 Ų | 126.9 | 89% | 0.888 | 76% | 0.761 | S | S | * | * | trans | -124.7 | 175.1 | 169.8 | -116.7 | -173.2 | 10 | 0 | 0 | 107.6 | ||||
| 510 | P | 41.3 | Very low | 28.2 | Very low | 96 Ų | 96 | 127.6 Ų | 127.6 | 62% | 0.623 | 76% | 0.759 | S | S | * | * | cis | -139.5 | 178.3 | -8.5 | 34.6 | -13.1 | 0 | 0 | 0 | 116.1 | ||||
| 511 | S | 25.7 | Very low | 28.4 | Very low | 98 Ų | 98 | 123.2 Ų | 123.2 | 69% | 0.685 | 76% | 0.756 | S | S | * | * | trans | 59.7 | 126.7 | 139.4 | 66.1 | 0 | 0 | 0 | 0 | 124.4 | ||||
| 512 | S | 26.6 | Very low | 28.7 | Very low | 104 Ų | 104 | 123.5 Ų | 123.5 | 73% | 0.727 | 76% | 0.757 | S | S | * | * | 126.1 | 138 | 116.4 | 75.4 | 0 | 0 | 0 | 0 | 118.8 | |||||
| 513 | L | 24.5 | Very low | 29.2 | Very low | 180 Ų | 180 | 123.9 Ų | 123.9 | 94% | 0.942 | 76% | 0.759 | S | S | * | * | trans | 53.5 | 133.8 | 151 | -63.1 | 166.5 | 0 | 0 | 0 | 121.4 | ||||
| 514 | G | 23.8 | Very low | 29.2 | Very low | 81 Ų | 81 | 126.2 Ų | 126.2 | 84% | 0.835 | 77% | 0.77 | S | S | * | * | trans | 163.7 | 142.1 | 166.5 | 0 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 515 | A | 24.2 | Very low | 29.3 | Very low | 98 Ų | 98 | 123.6 Ų | 123.6 | 81% | 0.81 | 76% | 0.764 | S | S | * | * | trans | -131.1 | 162 | -178.1 | 0 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 516 | R | 26.9 | Very low | 30.6 | Very low | 221 Ų | 221 | 123.5 Ų | 123.5 | 83% | 0.834 | 76% | 0.761 | S | S | * | * | trans | 2.3 | 139.6 | 165.2 | -61.6 | -177.7 | 178.4 | -173.3 | -0.5 | 119.8 | ||||
| 517 | P | 31.9 | Very low | 32.1 | Very low | 120 Ų | 120 | 124 Ų | 124 | 78% | 0.779 | 76% | 0.761 | S | S | * | * | -105.8 | 163.6 | 100.4 | -17.2 | 34.9 | 0 | 0 | 0 | 112.9 | |||||
| 518 | N | 27.4 | Very low | 31.4 | Very low | 119 Ų | 119 | 122.1 Ų | 122.1 | 64% | 0.636 | 76% | 0.757 | S | S | * | * | cis | 69.4 | 142.2 | 37.4 | -77.2 | 31.2 | 0 | 0 | 0 | 113.9 | ||||
| 519 | Q | 32.6 | Very low | 31.6 | Very low | 149 Ų | 149 | 123.2 Ų | 123.2 | 70% | 0.696 | 76% | 0.758 | S | S | * | * | cis | -152.4 | 174.9 | 1.8 | -118.4 | 160.6 | -95.4 | 0 | 0 | 107.9 | ||||
| 520 | D | 29.4 | Very low | 31.7 | Very low | 118 Ų | 118 | 117.4 Ų | 117.4 | 63% | 0.631 | 75% | 0.748 | S | S | * | * | cis | -137.9 | -154.2 | 4.6 | -132.6 | -52.6 | 0 | 0 | 0 | 108.4 | L522 | D520-L522 HydrophobicContact CB-CD1 4.32Š| ||
| 521 | G | 29.2 | Very low | 31.2 | Very low | 64 Ų | 64 | 120 Ų | 120 | 66% | 0.66 | 76% | 0.762 | S | S | * | * | cis | 178.4 | -148.9 | 4.5 | 0 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 522 | L | 32.7 | Very low | 31.4 | Very low | 134 Ų | 134 | 119.8 Ų | 119.8 | 70% | 0.702 | 77% | 0.767 | S | S | * | * | cis | 166.2 | 124.9 | -33 | -89.7 | 167 | 0 | 0 | 0 | 106 | D520 | D520-L522 HydrophobicContact CB-CD1 4.32Š| ||
| 523 | L | 33 | Very low | 31.4 | Very low | 149 Ų | 149 | 124.3 Ų | 124.3 | 78% | 0.78 | 77% | 0.773 | S | S | * | * | cis | -125.4 | -142.8 | -3.2 | -56.5 | 96 | 0 | 0 | 0 | 108.7 | ||||
| 524 | T | 28.6 | Very low | 31.6 | Very low | 133 Ų | 133 | 119.2 Ų | 119.2 | 82% | 0.816 | 76% | 0.757 | S | S | * | * | cis | -155.2 | -166.2 | 8.5 | -23.6 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 525 | S | 27.8 | Very low | 31.8 | Very low | 103 Ų | 103 | 122.3 Ų | 122.3 | 72% | 0.72 | 75% | 0.753 | S | S | * | * | trans | -164.5 | -159.2 | -168.9 | 61.6 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 526 | P | 54.5 | Low | 31.9 | Very low | 110 Ų | 110 | 125.5 Ų | 125.5 | 71% | 0.714 | 75% | 0.752 | S | S | * | * | cis | -135.4 | -157.2 | -8.1 | 43.8 | -24.9 | 0 | 0 | 0 | 112.8 | ||||
| 527 | P | 54.4 | Low | 31.9 | Very low | 124 Ų | 124 | 122.6 Ų | 122.6 | 81% | 0.805 | 75% | 0.753 | S | S | * | * | cis | -114.7 | -136.8 | -15.8 | 37.8 | -17.8 | 0 | 0 | 0 | 110.9 | ||||
| 528 | A | 33 | Very low | 31.7 | Very low | 92 Ų | 92 | 123 Ų | 123 | 76% | 0.76 | 75% | 0.748 | S | S | * | * | cis | -167 | -167.9 | -4.5 | 0 | 0 | 0 | 0 | 0 | 107.2 | ||||
| 529 | A | 31.1 | Very low | 31.8 | Very low | 105 Ų | 105 | 124.9 Ų | 124.9 | 87% | 0.868 | 75% | 0.751 | S | S | * | * | -170.4 | 159.6 | -60.4 | 0 | 0 | 0 | 0 | 0 | 107.7 | |||||
| 530 | G | 27.9 | Very low | 31.6 | Very low | 67 Ų | 67 | 124.5 Ų | 124.5 | 69% | 0.691 | 75% | 0.754 | S | S | * | * | cis | 162.1 | 159.2 | -10.4 | 0 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 531 | V | 29.9 | Very low | 31.5 | Very low | 151 Ų | 151 | 122.2 Ų | 122.2 | 92% | 0.915 | 76% | 0.758 | S | S | * | * | trans | 86.5 | 137.4 | 153.9 | -177.6 | 0 | 0 | 0 | 0 | 122.2 | ||||
| 532 | A | 29 | Very low | 31.5 | Very low | 94 Ų | 94 | 126.2 Ų | 126.2 | 78% | 0.777 | 76% | 0.763 | S | S | * | * | trans | 79.3 | 162.4 | 156.3 | 0 | 0 | 0 | 0 | 0 | 122.8 | ||||
| 533 | K | 27.6 | Very low | 31.3 | Very low | 198 Ų | 198 | 129 Ų | 129 | 86% | 0.861 | 77% | 0.77 | S | S | * | * | cis | -173.8 | 146.6 | -48.4 | -148 | -172.5 | -179.2 | -174.8 | 0 | 111.8 | ||||
| 534 | A | 28.1 | Very low | 31.1 | Very low | 73 Ų | 73 | 127.4 Ų | 127.4 | 60% | 0.603 | 77% | 0.771 | S | S | * | * | trans | 68.7 | 130.7 | 144.6 | 0 | 0 | 0 | 0 | 0 | 124.4 | ||||
| 535 | L | 27.9 | Very low | 31 | Very low | 146 Ų | 146 | 124.3 Ų | 124.3 | 76% | 0.764 | 77% | 0.766 | S | S | * | * | trans | 58.7 | 162.8 | 134.8 | -51.3 | 172 | 0 | 0 | 0 | 120 | ||||
| 536 | E | 27.3 | Very low | 31 | Very low | 166 Ų | 166 | 126.9 Ų | 126.9 | 78% | 0.776 | 77% | 0.77 | S | S | * | * | cis | -159.5 | 155.9 | -26.9 | -113.1 | 170.6 | 173.5 | 0 | 0 | 110.5 | ||||
| 537 | D | 27.3 | Very low | 29.7 | Very low | 160 Ų | 160 | 128.5 Ų | 128.5 | 86% | 0.856 | 77% | 0.772 | S | S | * | * | trans | 25.7 | 144.4 | 153.5 | -100.2 | -0.9 | 0 | 0 | 0 | 128.2 | ||||
| 538 | D | 27.8 | Very low | 28.4 | Very low | 128 Ų | 128 | 129.2 Ų | 129.2 | 68% | 0.684 | 77% | 0.769 | S | S | * | * | trans | 99.1 | 146 | 138 | -149.8 | 21 | 0 | 0 | 0 | 124.1 | ||||
| 539 | K | 28.3 | Very low | 28.2 | Very low | 158 Ų | 158 | 131.1 Ų | 131.1 | 69% | 0.687 | 77% | 0.771 | S | S | * | * | trans | 99.8 | 95.2 | 155.5 | -54.5 | -140.4 | 167.4 | -161.8 | 0 | 124.8 | ||||
| 540 | D | 28.2 | Very low | 27.9 | Very low | 142 Ų | 142 | 131.3 Ų | 131.3 | 76% | 0.759 | 77% | 0.766 | S | S | * | * | 78.9 | 114.6 | 117.6 | -78 | -44.1 | 0 | 0 | 0 | 124.4 | |||||
| 541 | G | 28.3 | Very low | 27.7 | Very low | 69 Ų | 69 | 132.5 Ų | 132.5 | 71% | 0.711 | 77% | 0.769 | S | S | * | * | trans | 102.2 | 146.5 | 131 | 0 | 0 | 0 | 0 | 0 | 119.6 | ||||
| 542 | L | 29 | Very low | 27.5 | Very low | 149 Ų | 149 | 130.6 Ų | 130.6 | 78% | 0.78 | 76% | 0.763 | S | S | * | * | cis | -166.9 | 153.7 | -13.9 | -158.8 | 72.8 | 0 | 0 | 0 | 111.6 | ||||
| 543 | K | 28.1 | Very low | 27.3 | Very low | 192 Ų | 192 | 135.6 Ų | 135.6 | 84% | 0.835 | 77% | 0.767 | S | S | * | * | trans | 74.7 | 140.7 | 169.8 | -47.8 | 175.6 | -173.9 | 176.8 | 0 | 115.7 | ||||
| 544 | S | 29.7 | Very low | 27.2 | Very low | 116 Ų | 116 | 133.9 Ų | 133.9 | 81% | 0.811 | 77% | 0.765 | S | S | * | * | cis | -148.9 | 145.9 | -7.4 | 47.5 | 0 | 0 | 0 | 0 | 108 | ||||
| 545 | G | 26.1 | Very low | 27.1 | Very low | 68 Ų | 68 | 139.1 Ų | 139.1 | 70% | 0.701 | 78% | 0.778 | S | S | * | * | 82.3 | 118.4 | 57.8 | 0 | 0 | 0 | 0 | 0 | 108.9 | |||||
| 546 | L | 27.6 | Very low | 27 | Very low | 156 Ų | 156 | 137 Ų | 137 | 82% | 0.817 | 77% | 0.773 | S | S | * | * | cis | -139.6 | 140.1 | 34.8 | -72.7 | 161.1 | 0 | 0 | 0 | 110.7 | ||||
| 547 | L | 27.8 | Very low | 26.8 | Very low | 144 Ų | 144 | 137.5 Ų | 137.5 | 75% | 0.754 | 78% | 0.777 | S | S | * | * | 58.6 | 140.2 | 85.1 | -59.4 | -172.9 | 0 | 0 | 0 | 116 | |||||
| 548 | L | 26.4 | Very low | 26.7 | Very low | 140 Ų | 140 | 136.8 Ų | 136.8 | 73% | 0.733 | 77% | 0.766 | S | S | * | * | cis | -171.8 | -177.6 | -19.7 | -162.7 | 68.1 | 0 | 0 | 0 | 108.8 | ||||
| 549 | T | 27.8 | Very low | 26.5 | Very low | 131 Ų | 131 | 135.2 Ų | 135.2 | 80% | 0.804 | 77% | 0.771 | S | S | * | * | trans | 94.7 | 167.9 | 159.2 | 76.7 | 0 | 0 | 0 | 0 | 118.2 | ||||
| 550 | S | 25.5 | Very low | 26.4 | Very low | 109 Ų | 109 | 135.9 Ų | 135.9 | 76% | 0.762 | 78% | 0.782 | S | S | * | * | trans | -164.7 | 156.5 | -138.9 | 54.9 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 551 | A | 24.5 | Very low | 26.3 | Very low | 93 Ų | 93 | 133.9 Ų | 133.9 | 77% | 0.769 | 77% | 0.771 | S | S | * | * | trans | 80.9 | 169.1 | 155.4 | 0 | 0 | 0 | 0 | 0 | 120.1 | ||||
| 552 | S | 25.6 | Very low | 26.2 | Very low | 111 Ų | 111 | 135.5 Ų | 135.5 | 78% | 0.776 | 77% | 0.771 | S | S | * | * | trans | 64.4 | 85.4 | 172 | 42 | 0 | 0 | 0 | 0 | 120.4 | ||||
| 553 | K | 25.2 | Very low | 26.1 | Very low | 198 Ų | 198 | 138.9 Ų | 138.9 | 86% | 0.861 | 77% | 0.774 | S | S | * | * | 21 | 119.1 | 108.8 | -177.6 | -172.3 | -176.1 | -178.6 | 0 | 117.6 | |||||
| 554 | I | 25.2 | Very low | 25.8 | Very low | 162 Ų | 162 | 138.4 Ų | 138.4 | 83% | 0.831 | 77% | 0.772 | S | S | * | * | trans | -179.5 | 140.3 | 136.1 | -96.2 | 153.7 | 0 | 0 | 0 | 110.7 | ||||
| 555 | E | 25 | Very low | 25.8 | Very low | 184 Ų | 184 | 137.3 Ų | 137.3 | 86% | 0.86 | 76% | 0.76 | S | S | * | * | trans | -94.5 | 147.5 | 166.6 | -82.5 | -168.6 | 134.7 | 0 | 0 | 109.2 | ||||
| 556 | P | 26.6 | Very low | 25.8 | Very low | 102 Ų | 102 | 141 Ų | 141 | 66% | 0.662 | 76% | 0.759 | S | S | * | * | -157.2 | 164.1 | 77.6 | 41.3 | -21.7 | 0 | 0 | 0 | 118.5 | |||||
| 557 | M | 21.7 | Very low | 25.6 | Very low | 175 Ų | 175 | 142.8 Ų | 142.8 | 86% | 0.862 | 76% | 0.755 | S | S | * | * | trans | 53.3 | 154.8 | 145.4 | -72.2 | -164.1 | -63.6 | 0 | 0 | 121.8 | ||||
| 558 | K | 25.3 | Very low | 25.6 | Very low | 145 Ų | 145 | 140.7 Ų | 140.7 | 63% | 0.63 | 75% | 0.753 | S | S | * | * | cis | -174 | 118.6 | -26.8 | -167.9 | -173.2 | -165.7 | -119.8 | 0 | 107.4 | D561 | K558-D561 VanDerWaalsContact NZ-CG 3.31Å; K558-D561 IonicContact NZ-OD1 2.61Å; K558-D561 PolarHBondContact NZ-OD1 3.35Å; K558-D561 IonicContact NZ-OD2 3.14Å; K558-D561 PolarHBondContact NZ-OD2 2.87Å | ||
| 559 | A | 24.4 | Very low | 25.6 | Very low | 96 Ų | 96 | 144 Ų | 144 | 79% | 0.793 | 76% | 0.761 | S | S | * | * | trans | -167.8 | 126.9 | 169.4 | 0 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 560 | L | 26.8 | Very low | 25.4 | Very low | 172 Ų | 172 | 142.6 Ų | 142.6 | 90% | 0.901 | 76% | 0.763 | S | S | * | * | cis | -128.7 | 155.7 | -6 | -78.5 | 156.3 | 0 | 0 | 0 | 109.3 | ||||
| 561 | D | 24.8 | Very low | 25.3 | Very low | 99 Ų | 99 | 143.8 Ų | 143.8 | 53% | 0.529 | 77% | 0.765 | S | S | . | * | trans | -72 | 164.6 | 167.8 | -61.2 | -84.6 | 0 | 0 | 0 | 110.3 | K558 | K558-D561 VanDerWaalsContact NZ-CG 3.31Å; K558-D561 IonicContact NZ-OD1 2.61Å; K558-D561 PolarHBondContact NZ-OD1 3.35Å; K558-D561 IonicContact NZ-OD2 3.14Å; K558-D561 PolarHBondContact NZ-OD2 2.87Å | ||
| 562 | S | 27.3 | Very low | 25.9 | Very low | 104 Ų | 104 | 145.1 Ų | 145.1 | 73% | 0.727 | 77% | 0.766 | S | S | * | * | cis | -152.9 | 147.5 | 12.5 | 22.5 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 563 | R | 26.3 | Very low | 25.9 | Very low | 220 Ų | 220 | 143.1 Ų | 143.1 | 83% | 0.83 | 76% | 0.763 | S | S | * | * | 57.5 | 143.8 | 69 | -68 | -168 | -164.5 | -162.7 | 6 | 114.1 | |||||
| 564 | F | 22.9 | Very low | 26.1 | Very low | 182 Ų | 182 | 141.4 Ų | 141.4 | 80% | 0.798 | 76% | 0.762 | S | S | * | * | cis | -167.5 | -178.4 | -14.3 | -175.1 | -121.3 | 0 | 0 | 0 | 108.4 | ||||
| 565 | T | 29.6 | Very low | 27.1 | Very low | 92 Ų | 92 | 139.5 Ų | 139.5 | 56% | 0.564 | 76% | 0.76 | S | S | * | * | trans | -45.9 | 167 | -177.2 | 62.4 | 0 | 0 | 0 | 0 | 116.9 | ||||
| 566 | E | 24.9 | Very low | 27.2 | Very low | 146 Ų | 146 | 136.3 Ų | 136.3 | 68% | 0.682 | 76% | 0.758 | S | S | * | * | -174.2 | 174.4 | 55.8 | -141.8 | -162.3 | 153.1 | 0 | 0 | 115.1 | |||||
| 567 | R | 24.6 | Very low | 27.4 | Very low | 194 Ų | 194 | 136 Ų | 136 | 73% | 0.732 | 76% | 0.764 | S | S | * | * | trans | 59.1 | 98.5 | 151 | -82.3 | 175.1 | -165.5 | -135.5 | -0.8 | 123.3 | ||||
| 568 | S | 26.6 | Very low | 27.7 | Very low | 100 Ų | 100 | 135.8 Ų | 135.8 | 70% | 0.699 | 76% | 0.764 | S | S | * | * | 56.8 | 132.6 | 110.9 | 72.1 | 0 | 0 | 0 | 0 | 124.3 | |||||
| 569 | K | 26.2 | Very low | 27.9 | Very low | 210 Ų | 210 | 134.6 Ų | 134.6 | 91% | 0.913 | 78% | 0.775 | S | S | * | * | trans | 89.9 | 144.3 | 149.1 | -78.4 | -171.5 | 174.2 | -176.2 | 0 | 121.1 | ||||
| 570 | A | 24.2 | Very low | 28.2 | Very low | 101 Ų | 101 | 134.6 Ų | 134.6 | 84% | 0.835 | 77% | 0.769 | S | S | * | * | trans | 87.1 | 132.3 | 157.3 | 0 | 0 | 0 | 0 | 0 | 120.5 | ||||
| 571 | T | 23.5 | Very low | 28.2 | Very low | 133 Ų | 133 | 132.7 Ų | 132.7 | 82% | 0.816 | 76% | 0.764 | S | S | * | * | trans | -80.3 | 175.8 | 159.9 | 20.6 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 572 | P | 38.1 | Very low | 28.4 | Very low | 121 Ų | 121 | 133.2 Ų | 133.2 | 79% | 0.786 | 78% | 0.782 | S | S | * | * | cis | -134 | 175.7 | -21.7 | 35.5 | -17.9 | 0 | 0 | 0 | 114.4 | ||||
| 573 | G | 25.3 | Very low | 28.2 | Very low | 69 Ų | 69 | 131.7 Ų | 131.7 | 71% | 0.711 | 78% | 0.783 | S | S | * | * | trans | 109.4 | 89.3 | 142.9 | 0 | 0 | 0 | 0 | 0 | 120.9 | ||||
| 574 | I | 28.2 | Very low | 28.2 | Very low | 163 Ų | 163 | 130 Ų | 130 | 84% | 0.836 | 79% | 0.79 | S | S | * | * | 17.7 | 129.5 | 120.4 | -57.3 | 171 | 0 | 0 | 0 | 115.9 | |||||
| 575 | P | 46.7 | Very low | 28.2 | Very low | 122 Ų | 122 | 125.6 Ų | 125.6 | 79% | 0.792 | 79% | 0.787 | S | S | * | * | cis | -124.6 | -140.1 | 43.1 | 26.1 | -0.9 | 0 | 0 | 0 | 112.4 | ||||
| 576 | S | 27.9 | Very low | 29 | Very low | 116 Ų | 116 | 126.4 Ų | 126.4 | 81% | 0.811 | 79% | 0.794 | S | S | * | * | cis | -156.9 | -170.9 | 9.1 | 63.6 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 577 | A | 30 | Very low | 29.1 | Very low | 96 Ų | 96 | 126.5 Ų | 126.5 | 79% | 0.793 | 80% | 0.798 | S | S | * | * | trans | -114.9 | 175 | -171 | 0 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 578 | I | 27.9 | Very low | 29 | Very low | 170 Ų | 170 | 124.6 Ų | 124.6 | 87% | 0.872 | 80% | 0.797 | S | S | * | * | trans | -106.8 | 141.3 | -179 | -61 | 169.3 | 0 | 0 | 0 | 110.8 | ||||
| 579 | S | 29.5 | Very low | 28.8 | Very low | 121 Ų | 121 | 129.9 Ų | 129.9 | 85% | 0.846 | 80% | 0.802 | S | S | * | * | trans | -143.8 | 165.4 | 157.5 | -166.5 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 580 | S | 30.2 | Very low | 29.7 | Very low | 96 Ų | 96 | 124.9 Ų | 124.9 | 67% | 0.671 | 79% | 0.791 | S | S | * | * | trans | -103.6 | 159.1 | -156.7 | 58.2 | 0 | 0 | 0 | 0 | 116.8 | ||||
| 581 | T | 26.7 | Very low | 29.8 | Very low | 131 Ų | 131 | 127.8 Ų | 127.8 | 80% | 0.804 | 79% | 0.785 | S | S | * | * | trans | 69.8 | 105 | 156.1 | 43.3 | 0 | 0 | 0 | 0 | 120.8 | ||||
| 582 | A | 29 | Very low | 29.9 | Very low | 110 Ų | 110 | 127.1 Ų | 127.1 | 91% | 0.909 | 78% | 0.776 | S | S | * | * | trans | 65.7 | 131.7 | 135.9 | 0 | 0 | 0 | 0 | 0 | 121.9 | ||||
| 583 | G | 23.6 | Very low | 29.3 | Very low | 72 Ų | 72 | 125.9 Ų | 125.9 | 74% | 0.742 | 78% | 0.776 | S | S | * | * | trans | 137.7 | 71.1 | 148.1 | 0 | 0 | 0 | 0 | 0 | 119.9 | ||||
| 584 | L | 26.4 | Very low | 29.4 | Very low | 186 Ų | 186 | 128.6 Ų | 128.6 | 97% | 0.974 | 78% | 0.779 | S | S | * | * | trans | 55.4 | -174.3 | 154.4 | -70.8 | 164.7 | 0 | 0 | 0 | 118 | ||||
| 585 | A | 23.9 | Very low | 29.3 | Very low | 88 Ų | 88 | 126.3 Ų | 126.3 | 73% | 0.727 | 78% | 0.777 | S | S | * | * | trans | -149.3 | -177.1 | -167.8 | 0 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 586 | P | 46.6 | Very low | 28.5 | Very low | 110 Ų | 110 | 124.2 Ų | 124.2 | 71% | 0.714 | 77% | 0.77 | S | S | * | * | cis | -133.3 | -160.3 | -17.7 | 27.7 | -3 | 0 | 0 | 0 | 112.4 | ||||
| 587 | L | 25.6 | Very low | 28.4 | Very low | 148 Ų | 148 | 126.4 Ų | 126.4 | 78% | 0.775 | 77% | 0.772 | S | S | * | * | trans | 98.6 | 136.2 | 146.4 | -73.2 | 160.4 | 0 | 0 | 0 | 122.4 | ||||
| 588 | E | 22.8 | Very low | 28.2 | Very low | 154 Ų | 154 | 129.4 Ų | 129.4 | 72% | 0.72 | 77% | 0.767 | S | S | * | * | trans | 79.3 | 157.7 | 146.7 | -76.5 | -59.5 | 117 | 0 | 0 | 123.9 | ||||
| 589 | R | 23.4 | Very low | 28.2 | Very low | 210 Ų | 210 | 127.3 Ų | 127.3 | 79% | 0.792 | 76% | 0.758 | S | S | * | * | trans | -95.7 | -174.7 | -170.7 | -79.2 | 168.9 | 170.9 | 166.7 | -3 | 111 | ||||
| 590 | P | 44.6 | Very low | 28.1 | Very low | 106 Ų | 106 | 126 Ų | 126 | 69% | 0.688 | 75% | 0.754 | S | S | * | * | cis | -139.6 | -164.3 | -40.2 | 36.4 | -17.3 | 0 | 0 | 0 | 113.3 | ||||
| 591 | K | 26.1 | Very low | 27.8 | Very low | 162 Ų | 162 | 131 Ų | 131 | 70% | 0.704 | 76% | 0.764 | S | S | * | * | trans | 98.7 | 138.2 | 133.5 | -96.5 | 179.8 | 150.1 | -71.9 | 0 | 122.5 | ||||
| 592 | D | 25.4 | Very low | 27.7 | Very low | 119 Ų | 119 | 129.2 Ų | 129.2 | 64% | 0.636 | 76% | 0.762 | S | S | * | * | trans | 71.5 | 128.2 | 142.6 | -58.1 | -21.2 | 0 | 0 | 0 | 124 | ||||
| 593 | A | 26.3 | Very low | 27.7 | Very low | 95 Ų | 95 | 132.9 Ų | 132.9 | 79% | 0.785 | 76% | 0.758 | S | S | * | * | trans | 74.8 | 154.4 | 135.2 | 0 | 0 | 0 | 0 | 0 | 120.8 | ||||
| 594 | V | 27.3 | Very low | 27.8 | Very low | 126 Ų | 126 | 138.6 Ų | 138.6 | 76% | 0.764 | 77% | 0.765 | S | S | * | * | cis | -167.3 | 158.5 | -32.8 | 122.1 | 0 | 0 | 0 | 0 | 108 | ||||
| 595 | S | 25.8 | Very low | 27.7 | Very low | 114 Ų | 114 | 137.3 Ų | 137.3 | 80% | 0.797 | 75% | 0.754 | S | S | * | * | trans | 67.5 | 165.6 | 163.8 | 73.4 | 0 | 0 | 0 | 0 | 118.7 | ||||
| 596 | A | 28.8 | Very low | 27.7 | Very low | 78 Ų | 78 | 138.5 Ų | 138.5 | 65% | 0.645 | 75% | 0.753 | S | S | * | * | cis | -172.1 | 174.5 | -38.8 | 0 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 597 | L | 26.6 | Very low | 26.8 | Very low | 163 Ų | 163 | 138.1 Ų | 138.1 | 85% | 0.853 | 75% | 0.752 | S | S | * | * | trans | 68.4 | 163.8 | 161.6 | -61 | 159.6 | 0 | 0 | 0 | 117 | ||||
| 598 | K | 26.5 | Very low | 26.9 | Very low | 159 Ų | 159 | 135.8 Ų | 135.8 | 69% | 0.691 | 75% | 0.748 | S | S | * | * | cis | -165.6 | 145.9 | -48.6 | -144 | -168.6 | 177.7 | -124 | 0 | 110.2 | ||||
| 599 | D | 26.4 | Very low | 27.3 | Very low | 126 Ų | 126 | 135.6 Ų | 135.6 | 67% | 0.674 | 75% | 0.753 | S | S | * | * | trans | 53.3 | 154.3 | 153.1 | -64.9 | -22.5 | 0 | 0 | 0 | 124.2 | ||||
| 600 | A | 27.3 | Very low | 27.8 | Very low | 93 Ų | 93 | 130.2 Ų | 130.2 | 77% | 0.769 | 75% | 0.747 | S | S | * | * | trans | 77.5 | 81.3 | 144.9 | 0 | 0 | 0 | 0 | 0 | 123 | ||||
| 601 | K | 24.6 | Very low | 27 | Very low | 201 Ų | 201 | 133.1 Ų | 133.1 | 87% | 0.874 | 75% | 0.751 | S | S | * | * | 53.1 | 115.2 | 103.7 | -167.6 | -179.2 | -176.5 | -176.5 | 0 | 120.9 | |||||
| 602 | A | 25.2 | Very low | 27.1 | Very low | 94 Ų | 94 | 131.1 Ų | 131.1 | 78% | 0.777 | 75% | 0.748 | S | S | * | * | trans | 74.3 | 162.3 | 148 | 0 | 0 | 0 | 0 | 0 | 119.6 | ||||
| 603 | K | 28.4 | Very low | 27.3 | Very low | 187 Ų | 187 | 132.6 Ų | 132.6 | 81% | 0.813 | 75% | 0.749 | S | S | * | * | cis | -178.1 | 113.7 | -33.6 | 177.3 | -154.8 | 177 | -163.1 | 0 | 109.2 | ||||
| 604 | E | 24.9 | Very low | 27.3 | Very low | 191 Ų | 191 | 136.5 Ų | 136.5 | 89% | 0.893 | 75% | 0.753 | S | S | * | * | trans | -168.5 | 152.7 | 161.9 | -112.7 | 153.6 | -155.4 | 0 | 0 | 109.2 | ||||
| 605 | E | 24.5 | Very low | 27.4 | Very low | 159 Ų | 159 | 134.8 Ų | 134.8 | 74% | 0.743 | 75% | 0.752 | S | S | * | * | cis | -117.3 | -92.2 | 1.5 | -66.4 | 177.7 | 130.7 | 0 | 0 | 112 | ||||
| 606 | T | 25.5 | Very low | 27.5 | Very low | 114 Ų | 114 | 133.9 Ų | 133.9 | 70% | 0.699 | 75% | 0.752 | S | S | * | * | -124.2 | 173.9 | -86.5 | 1.2 | 0 | 0 | 0 | 0 | 108.2 | |||||
| 607 | S | 25.8 | Very low | 27.5 | Very low | 101 Ų | 101 | 137.3 Ų | 137.3 | 71% | 0.706 | 76% | 0.758 | S | S | * | * | cis | -155.9 | -178.6 | -2.7 | 55.5 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 608 | S | 28.9 | Very low | 27.6 | Very low | 99 Ų | 99 | 136.4 Ų | 136.4 | 69% | 0.692 | 75% | 0.754 | S | S | * | * | trans | 16.4 | 109.3 | 157.3 | -160.8 | 0 | 0 | 0 | 0 | 118.4 | ||||
| 609 | D | 30.5 | Very low | 27.8 | Very low | 151 Ų | 151 | 137 Ų | 137 | 81% | 0.807 | 76% | 0.756 | S | S | * | * | 60.7 | 137.5 | 69.6 | -68.4 | -45 | 0 | 0 | 0 | 114.7 | |||||
| 610 | S | 33.8 | Very low | 27.8 | Very low | 96 Ų | 96 | 136.7 Ų | 136.7 | 67% | 0.671 | 76% | 0.755 | S | S | * | * | cis | -152 | 148 | 26.8 | 49.9 | 0 | 0 | 0 | 0 | 117.3 | ||||
| 611 | E | 29.1 | Very low | 27.9 | Very low | 167 Ų | 167 | 139.5 Ų | 139.5 | 78% | 0.78 | 76% | 0.756 | S | S | * | * | trans | 56 | 154.4 | 140.8 | -61.1 | -171.8 | 130.9 | 0 | 0 | 122.4 | ||||
| 612 | D | 26.5 | Very low | 28 | Very low | 120 Ų | 120 | 134 Ų | 134 | 64% | 0.642 | 74% | 0.743 | S | S | * | * | cis | -147.8 | -172.6 | 3.7 | -152.9 | 2 | 0 | 0 | 0 | 115 | ||||
| 613 | K | 29.9 | Very low | 28 | Very low | 151 Ų | 151 | 139.4 Ų | 139.4 | 66% | 0.657 | 75% | 0.75 | S | S | * | * | trans | -86.6 | -166.8 | -173.4 | -48.5 | 156.3 | -159.8 | 83.6 | 0 | 112.9 | ||||
| 614 | M | 26.9 | Very low | 27.9 | Very low | 176 Ų | 176 | 134.7 Ų | 134.7 | 87% | 0.867 | 75% | 0.745 | S | S | * | * | cis | -150.5 | -150.8 | -2.7 | -150.1 | -170.9 | -81.6 | 0 | 0 | 110.3 | ||||
| 615 | A | 29 | Very low | 28 | Very low | 90 Ų | 90 | 134.5 Ų | 134.5 | 74% | 0.744 | 74% | 0.741 | S | S | * | * | trans | -138.5 | 156.2 | -166.7 | 0 | 0 | 0 | 0 | 0 | 117.8 | ||||
| 616 | A | 28.9 | Very low | 28.1 | Very low | 96 Ų | 96 | 138.3 Ų | 138.3 | 79% | 0.793 | 75% | 0.749 | S | S | * | * | trans | 89.9 | 155.1 | 147.2 | 0 | 0 | 0 | 0 | 0 | 123.1 | ||||
| 617 | I | 28.9 | Very low | 28.1 | Very low | 149 Ų | 149 | 142.4 Ų | 142.4 | 76% | 0.764 | 76% | 0.757 | S | S | * | * | trans | 93 | 107.7 | 159.7 | -55 | -178.3 | 0 | 0 | 0 | 120 | ||||
| 618 | N | 28.4 | Very low | 28.8 | Very low | 144 Ų | 144 | 142.4 Ų | 142.4 | 77% | 0.77 | 76% | 0.755 | S | S | * | * | trans | 45.8 | 152.1 | 141.9 | -72.6 | -46.8 | 0 | 0 | 0 | 122.2 | ||||
| 619 | K | 30.9 | Very low | 28.7 | Very low | 171 Ų | 171 | 145.2 Ų | 145.2 | 74% | 0.743 | 76% | 0.757 | S | S | * | * | cis | -164.1 | 160.6 | 20.3 | -139 | 175.7 | -177.9 | 174.4 | 0 | 113.1 | ||||
| 620 | N | 25.8 | Very low | 28.7 | Very low | 120 Ų | 120 | 144.4 Ų | 144.4 | 64% | 0.642 | 75% | 0.752 | S | S | * | * | trans | 70.3 | 125.2 | 150 | -79.4 | 3.4 | 0 | 0 | 0 | 124.2 | ||||
| 621 | L | 29.3 | Very low | 28.5 | Very low | 152 Ų | 152 | 145.9 Ų | 145.9 | 80% | 0.796 | 75% | 0.752 | S | S | * | * | trans | 66.3 | 147.8 | 135.3 | -59.7 | 171.3 | 0 | 0 | 0 | 120 | ||||
| 622 | S | 26.2 | Very low | 28.8 | Very low | 87 Ų | 87 | 144.4 Ų | 144.4 | 61% | 0.608 | 75% | 0.748 | S | S | * | * | cis | -171.9 | -176.6 | -13.5 | 53.2 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 623 | F | 26 | Very low | 28.8 | Very low | 207 Ų | 207 | 145.7 Ų | 145.7 | 91% | 0.908 | 76% | 0.755 | S | S | * | * | trans | 79.5 | 165.2 | 169.7 | -77.8 | -77.6 | 0 | 0 | 0 | 120.2 | ||||
| 624 | A | 26.2 | Very low | 28.8 | Very low | 87 Ų | 87 | 141.7 Ų | 141.7 | 72% | 0.719 | 76% | 0.757 | S | S | * | * | trans | -167.5 | 179.8 | -155.7 | 0 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 625 | K | 27.6 | Very low | 28.9 | Very low | 187 Ų | 187 | 136.7 Ų | 136.7 | 81% | 0.813 | 75% | 0.75 | S | S | * | * | trans | 96.4 | 135.5 | 158.9 | -70.5 | 177 | 172.5 | 168.9 | 0 | 120.2 | ||||
| 626 | R | 25.5 | Very low | 29 | Very low | 239 Ų | 239 | 140.9 Ų | 140.9 | 90% | 0.902 | 75% | 0.754 | S | S | * | * | trans | 103.5 | 128.4 | 142.7 | -81.8 | 163.6 | 176 | 170.7 | -4.3 | 120.9 | ||||
| 627 | K | 27.1 | Very low | 28.9 | Very low | 200 Ų | 200 | 142.2 Ų | 142.2 | 87% | 0.87 | 75% | 0.752 | S | S | * | * | trans | -52.6 | 167.4 | 152.4 | -92.4 | -174.4 | 175.9 | -171.3 | 0 | 112.2 | ||||
| 628 | P | 40.4 | Very low | 29 | Very low | 101 Ų | 101 | 139.7 Ų | 139.7 | 66% | 0.656 | 74% | 0.744 | S | S | * | * | cis | -154.4 | 177.4 | 45 | 44.7 | -23.1 | 0 | 0 | 0 | 120.5 | ||||
| 629 | E | 25.9 | Very low | 29.1 | Very low | 158 Ų | 158 | 138.2 Ų | 138.2 | 74% | 0.738 | 73% | 0.732 | S | S | * | * | trans | 62.6 | 124.1 | 137.8 | -74.6 | 172.8 | 163.6 | 0 | 0 | 123.2 | ||||
| 630 | L | 30.3 | Very low | 29 | Very low | 135 Ų | 135 | 136.8 Ų | 136.8 | 71% | 0.707 | 73% | 0.726 | S | S | * | * | 93.8 | 151.4 | 101.2 | -68.9 | 176.4 | 0 | 0 | 0 | 113.7 | |||||
| 631 | L | 30 | Very low | 29.1 | Very low | 127 Ų | 127 | 139.6 Ų | 139.6 | 67% | 0.665 | 73% | 0.728 | S | S | * | * | cis | -163.4 | 161 | -5.2 | -105.4 | 165.2 | 0 | 0 | 0 | 112.7 | ||||
| 632 | L | 34.2 | Very low | 29.1 | Very low | 135 Ų | 135 | 141.7 Ų | 141.7 | 71% | 0.707 | 73% | 0.73 | S | S | * | * | trans | 61.1 | 153.5 | 145.3 | -67.6 | 163.5 | 0 | 0 | 0 | 122 | ||||
| 633 | D | 26.9 | Very low | 29.1 | Very low | 147 Ų | 147 | 147 Ų | 147 | 79% | 0.786 | 74% | 0.742 | S | S | * | * | cis | -136.5 | -146.4 | -1.3 | -146 | -21 | 0 | 0 | 0 | 110.3 | ||||
| 634 | G | 30.5 | Very low | 29 | Very low | 67 Ų | 67 | 140.4 Ų | 140.4 | 69% | 0.691 | 73% | 0.733 | S | S | * | * | cis | 155.7 | 158.9 | -3 | 0 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 635 | G | 28.9 | Very low | 29 | Very low | 71 Ų | 71 | 146.8 Ų | 146.8 | 73% | 0.732 | 74% | 0.738 | S | S | * | * | cis | -179.5 | 148.6 | -9 | 0 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 636 | E | 30.2 | Very low | 30.2 | Very low | 178 Ų | 178 | 142.6 Ų | 142.6 | 83% | 0.832 | 73% | 0.73 | S | S | * | * | trans | 61.6 | 162.9 | 168.4 | -51.9 | -149.1 | 110.6 | 0 | 0 | 118.3 | ||||
| 637 | V | 28 | Very low | 30.3 | Very low | 124 Ų | 124 | 141 Ų | 141 | 75% | 0.752 | 72% | 0.724 | S | S | * | * | cis | -144 | 122 | 27.6 | 168.9 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 638 | V | 31 | Very low | 30.8 | Very low | 96 Ų | 96 | 140 Ų | 140 | 58% | 0.582 | 72% | 0.72 | S | S | * | * | 65.8 | 132.6 | 85.5 | 173.6 | 0 | 0 | 0 | 0 | 113.1 | |||||
| 639 | E | 30.4 | Very low | 30.1 | Very low | 113 Ų | 113 | 142.5 Ų | 142.5 | 53% | 0.528 | 73% | 0.727 | S | S | . | * | cis | -130.4 | 142.5 | 37.9 | -96 | -140.9 | 167.5 | 0 | 0 | 114.6 | R641 | E639-R641 VanDerWaalsContact CD-NH1 3.29Å; E639-R641 IonicContact OE1-CZ 3.59Å; E639-R641 IonicContact OE1-NH1 3.64Å; E639-R641 PolarHBondContact OE1-NH1 3.07Å; E639-R641 VanDerWaalsContact OE1-NH1 3.14Å; E639-R641 IonicContact OE1-NH2 2.97Å; E639-R641 IonicContact OE2-CZ 3.49Å; E639-R641 IonicContact OE2-NE 2.9Å; E639-R641 IonicContact OE2-NH1 3.58Å; E639-R641 PolarHBondContact OE2-NH1 3.11Å | ||
| 640 | K | 28.7 | Very low | 30.5 | Very low | 142 Ų | 142 | 144.1 Ų | 144.1 | 62% | 0.617 | 73% | 0.732 | S | S | * | * | 63.5 | 156.4 | 87.4 | -53.7 | -179.6 | -150.9 | 149.3 | 0 | 115.2 | |||||
| 641 | R | 28.3 | Very low | 30.5 | Very low | 179 Ų | 179 | 147 Ų | 147 | 68% | 0.675 | 74% | 0.744 | S | S | * | * | cis | -126.3 | -173.1 | 2.1 | -98.4 | 104.6 | 179.3 | 179.1 | -5.8 | 107.2 | E639 | E639-R641 VanDerWaalsContact CD-NH1 3.29Å; E639-R641 IonicContact OE1-CZ 3.59Å; E639-R641 IonicContact OE1-NH1 3.64Å; E639-R641 PolarHBondContact OE1-NH1 3.07Å; E639-R641 VanDerWaalsContact OE1-NH1 3.14Å; E639-R641 IonicContact OE1-NH2 2.97Å; E639-R641 IonicContact OE2-CZ 3.49Å; E639-R641 IonicContact OE2-NE 2.9Å; E639-R641 IonicContact OE2-NH1 3.58Å; E639-R641 PolarHBondContact OE2-NH1 3.11Å | ||
| 642 | K | 28.5 | Very low | 30.4 | Very low | 196 Ų | 196 | 145.1 Ų | 145.1 | 85% | 0.852 | 75% | 0.747 | S | S | * | * | cis | -165.9 | 168.5 | 3.5 | -116.6 | 160.1 | -178 | 175.9 | 0 | 104.6 | ||||
| 643 | K | 26.3 | Very low | 30.1 | Very low | 198 Ų | 198 | 143.2 Ų | 143.2 | 86% | 0.861 | 75% | 0.751 | S | S | * | * | cis | -163 | 136.7 | -8.5 | -178.6 | -168 | 178.4 | -171.4 | 0 | 108.7 | ||||
| 644 | G | 24.1 | Very low | 29.8 | Very low | 68 Ų | 68 | 142 Ų | 142 | 70% | 0.701 | 75% | 0.754 | S | S | * | * | trans | 71.8 | 98.8 | 141.9 | 0 | 0 | 0 | 0 | 0 | 119.5 | ||||
| 645 | R | 25.8 | Very low | 29.7 | Very low | 222 Ų | 222 | 146.5 Ų | 146.5 | 84% | 0.838 | 76% | 0.76 | S | S | * | * | cis | 84 | 158.8 | 25 | -111.5 | -148.1 | 173.2 | -169.1 | 5.9 | 114.7 | ||||
| 646 | P | 53.3 | Low | 29.9 | Very low | 99 Ų | 99 | 149.2 Ų | 149.2 | 64% | 0.643 | 77% | 0.765 | S | S | * | * | -146.6 | -145.7 | -116.5 | 45.2 | -22.3 | 0 | 0 | 0 | 114.9 | |||||
| 647 | R | 27.3 | Very low | 29.9 | Very low | 206 Ų | 206 | 148.4 Ų | 148.4 | 78% | 0.777 | 76% | 0.761 | S | S | * | * | trans | 101.7 | 171 | 143.6 | -109.1 | 176.4 | -164.1 | -178.4 | -0.1 | 120.3 | ||||
| 648 | K | 37.2 | Very low | 30.4 | Very low | 179 Ų | 179 | 147.7 Ų | 147.7 | 78% | 0.778 | 76% | 0.76 | S | S | * | * | trans | -149.6 | 140.4 | -164.8 | 154.1 | -169.2 | 176.7 | 178 | 0 | 106.5 | ||||
| 649 | D | 27.1 | Very low | 30.1 | Very low | 152 Ų | 152 | 151.4 Ų | 151.4 | 81% | 0.813 | 77% | 0.768 | S | S | * | * | trans | -150.2 | -177.3 | 169 | -89 | -54.7 | 0 | 0 | 0 | 112.6 | ||||
| 650 | K | 34.5 | Very low | 29.8 | Very low | 193 Ų | 193 | 151.7 Ų | 151.7 | 84% | 0.839 | 78% | 0.777 | S | S | * | * | trans | -130.3 | 151.8 | -163.7 | -59.7 | 175.2 | 175.2 | 179.6 | 0 | 114.7 | ||||
| 651 | M | 29.1 | Very low | 29.7 | Very low | 194 Ų | 194 | 152.8 Ų | 152.8 | 96% | 0.956 | 79% | 0.785 | S | S | * | * | trans | 168.9 | 165.5 | 144.8 | -94 | -168.5 | -173.9 | 0 | 0 | 109.9 | ||||
| 652 | A | 28.4 | Very low | 29.6 | Very low | 88 Ų | 88 | 151.6 Ų | 151.6 | 73% | 0.727 | 79% | 0.79 | S | S | * | * | cis | -165.7 | 158.1 | -31.3 | 0 | 0 | 0 | 0 | 0 | 113 | ||||
| 653 | A | 27 | Very low | 29.4 | Very low | 95 Ų | 95 | 148.4 Ų | 148.4 | 79% | 0.785 | 79% | 0.787 | S | S | * | * | trans | 21 | 133.7 | 155.9 | 0 | 0 | 0 | 0 | 0 | 124.9 | ||||
| 654 | S | 22 | Very low | 30.5 | Very low | 122 Ų | 122 | 143.9 Ų | 143.9 | 85% | 0.853 | 78% | 0.778 | S | S | * | * | -178.1 | 172.8 | 125.1 | 38.4 | 0 | 0 | 0 | 0 | 113.1 | |||||
| 655 | I | 27.3 | Very low | 30.5 | Very low | 161 Ų | 161 | 148.3 Ų | 148.3 | 83% | 0.826 | 79% | 0.785 | S | S | * | * | trans | -147.5 | 140.6 | -157.8 | -79.1 | 172.4 | 0 | 0 | 0 | 108.5 | ||||
| 656 | P | 33.9 | Very low | 31 | Very low | 128 Ų | 128 | 142.9 Ų | 142.9 | 83% | 0.831 | 78% | 0.779 | S | S | * | * | -152.3 | 176 | 88.3 | 38.2 | -15.5 | 0 | 0 | 0 | 119.8 | |||||
| 657 | Q | 29.6 | Very low | 30.2 | Very low | 161 Ų | 161 | 146 Ų | 146 | 75% | 0.752 | 79% | 0.789 | S | S | * | * | trans | -93.9 | -174.6 | -179.7 | -96.6 | -174.2 | 0.5 | 0 | 0 | 112.4 | ||||
| 658 | P | 37.8 | Very low | 30.1 | Very low | 110 Ų | 110 | 145.6 Ų | 145.6 | 71% | 0.714 | 80% | 0.796 | S | S | * | * | cis | -147 | 172.9 | 24.9 | 39.1 | -15.6 | 0 | 0 | 0 | 121.4 | ||||
| 659 | F | 25.5 | Very low | 29.7 | Very low | 174 Ų | 174 | 148 Ų | 148 | 76% | 0.763 | 80% | 0.8 | S | S | * | * | trans | 18.4 | 151.4 | 147.5 | -69.6 | -96.5 | 0 | 0 | 0 | 123 | ||||
| 660 | T | 24.4 | Very low | 29.5 | Very low | 118 Ų | 118 | 148.5 Ų | 148.5 | 72% | 0.724 | 80% | 0.798 | S | S | * | * | cis | -151.6 | 146.8 | 47.5 | 37.3 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 661 | Q | 25.9 | Very low | 29.3 | Very low | 165 Ų | 165 | 144.5 Ų | 144.5 | 77% | 0.771 | 79% | 0.791 | S | S | * | * | 70.6 | 119.3 | 82.9 | -141.5 | -177.2 | 2.4 | 0 | 0 | 115 | |||||
| 662 | I | 27.2 | Very low | 29.3 | Very low | 154 Ų | 154 | 141 Ų | 141 | 79% | 0.79 | 79% | 0.786 | S | S | * | * | 177.3 | 166 | 94.8 | -84.7 | 166.7 | 0 | 0 | 0 | 110.8 | |||||
| 663 | T | 23 | Very low | 29.3 | Very low | 129 Ų | 129 | 148.5 Ų | 148.5 | 79% | 0.791 | 80% | 0.796 | S | S | * | * | trans | -125 | 178.4 | 176.2 | 19.6 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 664 | P | 50.6 | Low | 29.5 | Very low | 104 Ų | 104 | 148.7 Ų | 148.7 | 68% | 0.675 | 80% | 0.797 | S | S | * | * | cis | -132.1 | -162.1 | -32.4 | 33 | -10.3 | 0 | 0 | 0 | 113.3 | ||||
| 665 | L | 23.8 | Very low | 30 | Very low | 160 Ų | 160 | 147.4 Ų | 147.4 | 84% | 0.838 | 79% | 0.794 | S | S | * | * | trans | 79.1 | 166.5 | 166.8 | -54.6 | 171.2 | 0 | 0 | 0 | 117.7 | ||||
| 666 | P | 35.5 | Very low | 30.3 | Very low | 109 Ų | 109 | 144 Ų | 144 | 71% | 0.708 | 79% | 0.789 | S | S | * | * | -135.4 | 173 | -54.1 | 40.3 | -25.7 | 0 | 0 | 0 | 115 | |||||
| 667 | L | 37.1 | Very low | 30.2 | Very low | 164 Ų | 164 | 143.3 Ų | 143.3 | 86% | 0.859 | 79% | 0.785 | S | S | * | * | trans | 24.6 | 112.7 | 153.2 | -77 | 162.2 | 0 | 0 | 0 | 121 | ||||
| 668 | E | 25.3 | Very low | 30.6 | Very low | 197 Ų | 197 | 140.9 Ų | 140.9 | 92% | 0.921 | 78% | 0.784 | S | S | * | * | trans | -139.6 | 172.9 | 142 | -79.9 | -143.5 | 131 | 0 | 0 | 111 | ||||
| 669 | R | 28.6 | Very low | 30.3 | Very low | 229 Ų | 229 | 141.9 Ų | 141.9 | 86% | 0.864 | 79% | 0.79 | S | S | * | * | trans | -120.6 | 169.9 | -169.7 | -86.4 | -176.8 | 169.2 | 167.5 | -5.1 | 113.2 | ||||
| 670 | E | 23.7 | Very low | 30.7 | Very low | 163 Ų | 163 | 138 Ų | 138 | 76% | 0.762 | 79% | 0.79 | S | S | * | * | trans | 75.5 | 153.8 | 167.5 | -61.8 | -59.7 | 121.2 | 0 | 0 | 117.8 | ||||
| 671 | P | 29.6 | Very low | 31.5 | Very low | 109 Ų | 109 | 136.6 Ų | 136.6 | 71% | 0.708 | 79% | 0.791 | S | S | * | * | cis | -117.1 | 170.1 | -19.6 | 19.5 | 2.5 | 0 | 0 | 0 | 112.7 | R673 | P671-R673 PolarHBondContact O-N 3.4Š| ||
| 672 | S | 29.5 | Very low | 32.3 | Very low | 122 Ų | 122 | 133.7 Ų | 133.7 | 85% | 0.853 | 80% | 0.795 | S | S | * | * | trans | -66.1 | 120.3 | 179.5 | 57.3 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 673 | R | 28.4 | Very low | 33.7 | Very low | 245 Ų | 245 | 131 Ų | 131 | 93% | 0.925 | 79% | 0.786 | S | S | * | * | trans | -95.7 | 113.7 | 162.5 | -162.5 | 174.4 | -167.5 | 169.7 | 4.3 | 108.9 | P671 A675 | P671-R673 PolarHBondContact O-N 3.4Å; R673-A675 PolarHBondContact O-N 2.9Å | ||
| 674 | A | 31.3 | Very low | 35.7 | Very low | 98 Ų | 98 | 127 Ų | 127 | 81% | 0.81 | 76% | 0.759 | S | S | * | * | P | Polyproline II helix | trans | -58.3 | 128.3 | -178.4 | 0 | 0 | 0 | 0 | 0 | 111.2 | ||
| 675 | A | 31.5 | Very low | 36.9 | Very low | 96 Ų | 96 | 131.7 Ų | 131.7 | 79% | 0.793 | 76% | 0.763 | S | S | * | * | P | Polyproline II helix | trans | -67.6 | 137.7 | 172.2 | 0 | 0 | 0 | 0 | 0 | 109.6 | R673 | R673-A675 PolarHBondContact O-N 2.9Š|
| 676 | A | 33.1 | Very low | 39.8 | Very low | 88 Ų | 88 | 125 Ų | 125 | 73% | 0.727 | 73% | 0.728 | S | S | * | * | P | Polyproline II helix | trans | -61.9 | 144.8 | 173.6 | 0 | 0 | 0 | 0 | 0 | 110.3 | ||
| 677 | P | 33.6 | Very low | 42.2 | Very low | 114 Ų | 114 | 124.7 Ų | 124.7 | 74% | 0.74 | 73% | 0.726 | S | S | * | * | P | Polyproline II helix | trans | -60.1 | 149.5 | 172.8 | 27.2 | -34.6 | 0 | 0 | 0 | 110.2 | ||
| 678 | P | 37.9 | Very low | 44.7 | Very low | 111 Ų | 111 | 119.9 Ų | 119.9 | 72% | 0.721 | 70% | 0.704 | S | S | * | * | P | Polyproline II helix | trans | -59.5 | 150.5 | 174.8 | 27.2 | -34.9 | 0 | 0 | 0 | 110.3 | A680 | P678-A680 PolarHBondContact O-N 2.76Å; P678-A680 VanDerWaalsContact O-N 3.11Å |
| 679 | P | 30.6 | Very low | 47.9 | Very low | 130 Ų | 130 | 112.6 Ų | 112.6 | 84% | 0.844 | 67% | 0.673 | S | S | * | * | P | Polyproline II helix | trans | -58.9 | 121.1 | 176 | 25.7 | -33.6 | 0 | 0 | 0 | 109 | A681 | P679-A681 PolarHBondContact O-N 2.78Š|
| 680 | A | 33.6 | Very low | 50.8 | Low | 93 Ų | 93 | 105.9 Ų | 105.9 | 77% | 0.769 | 66% | 0.662 | S | S | * | * | P | Polyproline II helix | trans | -58.8 | 134.9 | 177.3 | 0 | 0 | 0 | 0 | 0 | 109.5 | P678 A682 | P678-A680 PolarHBondContact O-N 2.76Å; P678-A680 VanDerWaalsContact O-N 3.11Å; A680-A682 PolarHBondContact O-N 3.45Å |
| 681 | A | 40.9 | Very low | 54 | Low | 89 Ų | 89 | 102 Ų | 102 | 74% | 0.736 | 65% | 0.646 | S | S | * | * | P | Polyproline II helix | trans | -52.9 | 135.2 | 169.8 | 0 | 0 | 0 | 0 | 0 | 109 | P679 V683 | P679-A681 PolarHBondContact O-N 2.78Å; A681-V683 VanDerWaalsContact C-N 3.26Å; A681-V683 PolarHBondContact O-N 2.59Å |
| 682 | A | 43.2 | Very low | 57 | Low | 104 Ų | 104 | 101.7 Ų | 101.7 | 86% | 0.86 | 64% | 0.635 | S | S | * | * | trans | -70.9 | 79.9 | -172.3 | 0 | 0 | 0 | 0 | 0 | 111.3 | A680 L684 | A680-A682 PolarHBondContact O-N 3.45Å; A682-L684 PolarHBondContact O-N 2.86Å | ||
| 683 | V | 57.2 | Low | 60 | Low | 98 Ų | 98 | 103.4 Ų | 103.4 | 59% | 0.594 | 63% | 0.627 | S | S | * | * | trans | -60.8 | 109.5 | 170.8 | 179.3 | 0 | 0 | 0 | 0 | 107.4 | A681 R685 | A681-V683 VanDerWaalsContact C-N 3.26Å; A681-V683 PolarHBondContact O-N 2.59Å; V683-R685 PolarHBondContact O-N 3.46Å; V683-R685 VanDerWaalsContact O-N 3.1Å | ||
| 684 | L | 64.7 | Low | 63.1 | Low | 43 Ų | 43 | 94.6 Ų | 94.6 | 23% | 0.225 | 61% | 0.606 | C | S | . | * | trans | -55.5 | 117.6 | 176.3 | -168 | 155.1 | 0 | 0 | 0 | 108.9 | A682 L686 A797 F820 | A682-L684 PolarHBondContact O-N 2.86Å; L684-L686 HydrophobicContact CD2-CD2 3.91Å; L684-A797 HydrophobicContact CD2-CB 3.72Å; L684-F820 HydrophobicContact CD1-CB 4.22Å; L684-F820 HydrophobicContact CD1-CD1 3.93Å; L684-F820 HydrophobicContact CD1-CD2 3.44Å; L684-F820 VanDerWaalsContact CD1-CD2 3.44Å; L684-F820 HydrophobicContact CD1-CE1 4.07Å; L684-F820 HydrophobicContact CD1-CE2 3.59Å; L684-F820 HydrophobicContact CD1-CG 3.62Å; L684-F820 HydrophobicContact CD1-CZ 3.91Å; L684-F820 HydrophobicContact CD2-CD2 4.17Å; L684-F820 HydrophobicContact CD2-CE2 3.49Å; L684-F820 VanDerWaalsContact CD2-CE2 3.49Å; L684-F820 HydrophobicContact CD2-CZ 3.75Å; L684-F820 HydrophobicContact CG-CD2 4.42Å; L684-F820 HydrophobicContact CG-CE2 4.19Å | ||
| 685 | R | 75.2 | Confident | 66.2 | Low | 204 Ų | 204 | 92.1 Ų | 92.1 | 77% | 0.77 | 58% | 0.577 | S | S | * | * | trans | -114.5 | 132.1 | 177 | -73.9 | -178.9 | -178.2 | -172.8 | 0.8 | 110.1 | V683 A795 | V683-R685 PolarHBondContact O-N 3.46Å; V683-R685 VanDerWaalsContact O-N 3.1Å; R685-A795 CarbonylContact C-O 3.59Å; R685-A795 WeakPolarHBondContact CA-O 3.49Å | ||
| 686 | L | 84.8 | Confident | 69 | Low | 18 Ų | 18 | 91.8 Ų | 91.8 | 9% | 0.094 | 57% | 0.569 | C | S | . | * | P | Polyproline II helix | trans | -83.4 | 147.2 | 169.7 | -55.6 | -178.6 | 0 | 0 | 0 | 109.4 | L684 T688 S781 L793 A795 A797 L816 F820 V827 | L684-L686 HydrophobicContact CD2-CD2 3.91Å; L686-T688 PolarHBondContact O-N 3.04Å; L686-S781 WeakPolarHBondContact CB-OG 3.37Å; L686-L793 HydrophobicContact CD1-CB 4.37Å; L686-L793 HydrophobicContact CD1-CD2 4.14Å; L686-A795 PolarHBondContact N-O 3.48Å; L686-A797 HydrophobicContact CD1-CB 4.47Å; L686-A797 HydrophobicContact CG-CB 4.12Å; L686-L816 HydrophobicContact CD1-CD1 4.12Å; L686-F820 HydrophobicContact CD2-CZ 4.39Å; L686-V827 HydrophobicContact CD2-CG2 3.92Å |
| 687 | P | 86.9 | Confident | 71.8 | Confident | 104 Ų | 104 | 90.8 Ų | 90.8 | 68% | 0.675 | 55% | 0.551 | S | S | * | * | P | Polyproline II helix | trans | -66 | 133.5 | -177.8 | 27 | -34.6 | 0 | 0 | 0 | 111.4 | S781 | P687-S781 VanDerWaalsContact O-CA 3.31Å; P687-S781 WeakPolarHBondContact O-CA 3.36Å; P687-S781 VanDerWaalsContact O-CB 3.27Å; P687-S781 WeakPolarHBondContact O-CB 3.5Å; P687-S781 PolarHBondContact O-OG 3.26Å |
| 688 | T | 88.6 | Confident | 74.5 | Confident | 63 Ų | 63 | 89.3 Ų | 89.3 | 39% | 0.387 | 53% | 0.534 | S | S | . | . | P | Polyproline II helix | trans | -83.2 | 135.9 | 169.4 | -61.7 | 0 | 0 | 0 | 0 | 109.4 | L686 L742 P779 V780 A795 | L686-T688 PolarHBondContact O-N 3.04Å; T688-L742 HydrophobicContact CG2-CD1 3.98Å; T688-P779 HydrophobicContact CG2-CB 3.96Å; T688-V780 WeakPolarHBondContact CG2-O 3.44Å; T688-A795 WeakPolarHBondContact OG1-CB 3.4Å |
| 689 | P | 92.4 | Very high | 76.8 | Confident | 43 Ų | 43 | 84.9 Ų | 84.9 | 28% | 0.279 | 51% | 0.505 | S | S | . | . | P | Polyproline II helix | trans | -56.5 | 142.7 | 173 | -26.5 | 36 | 0 | 0 | 0 | 112.4 | L742 A743 V780 | P689-L742 WeakPolarHBondContact CB-O 3.42Å; P689-A743 HydrophobicContact CG-CB 4.41Å; P689-V780 VanDerWaalsContact CD-O 3.31Å; P689-V780 WeakPolarHBondContact CD-O 3.35Å |
| 690 | S | 89.9 | Confident | 79.3 | Confident | 89 Ų | 89 | 79.7 Ų | 79.7 | 62% | 0.622 | 47% | 0.472 | S | S | * | . | P | Polyproline II helix | trans | -72.7 | 139.7 | 172.6 | 46.7 | 0 | 0 | 0 | 0 | 110.9 | Q692 | S690-Q692 PolarHBondContact O-N 3.22Š|
| 691 | L | 91.8 | Very high | 81.4 | Confident | 82 Ų | 82 | 82 Ų | 82 | 43% | 0.429 | 47% | 0.469 | S | S | . | . | P | Polyproline II helix | trans | -64.7 | 127.1 | 173.9 | 179 | 62.4 | 0 | 0 | 0 | 110.1 | N711 L742 | L691-N711 HydrophobicContact CD1-CB 4.39Å; L691-N711 WeakPolarHBondContact CD1-ND2 3.07Å; L691-L742 HydrophobicContact CB-CD2 3.88Å; L691-L742 HydrophobicContact CD1-CD2 4.1Å |
| 692 | Q | 92.6 | Very high | 83.1 | Confident | 102 Ų | 102 | 84.8 Ų | 84.8 | 48% | 0.477 | 47% | 0.471 | S | S | . | . | trans | -112.8 | 147.5 | 176.8 | -57.6 | -176 | 20.2 | 0 | 0 | 109.7 | S690 F695 N711 | S690-Q692 PolarHBondContact O-N 3.22Å; Q692-F695 HydrophobicContact CB-CD1 4.25Å; Q692-N711 PolarHBondContact O-ND2 3.37Å | ||
| 693 | K | 91.6 | Very high | 84.8 | Confident | 158 Ų | 158 | 81.3 Ų | 81.3 | 69% | 0.687 | 44% | 0.44 | S | S | * | . | S | Bend | trans | -66.1 | -44.2 | 177.4 | -171.9 | -172.6 | 173.8 | -166.2 | 0 | 111.4 | N711 | K693-N711 PolarHBondContact O-N 2.85Š|
| 694 | A | 93.9 | Very high | 86.1 | Confident | 59 Ų | 59 | 78.6 Ų | 78.6 | 49% | 0.488 | 43% | 0.425 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.5 | 147.4 | 174.7 | 0 | 0 | 0 | 0 | 0 | 110.2 | V709 E710 | A694-V709 CarbonylContact C-O 3.53Å; A694-V709 WeakPolarHBondContact CA-O 3.42Å; A694-E710 HydrophobicContact CB-CG 4.16Å |
| 695 | F | 95.2 | Very high | 87.2 | Confident | 46 Ų | 46 | 76.5 Ų | 76.5 | 20% | 0.202 | 41% | 0.414 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -153.3 | 159.7 | 171.2 | 65.4 | -90.2 | 0 | 0 | 0 | 111.6 | Q692 V709 V741 A744 | Q692-F695 HydrophobicContact CB-CD1 4.25Å; F695-V709 HydrophobicContact CD1-CB 4.04Å; F695-V709 HydrophobicContact CD1-CG1 4.29Å; F695-V709 HydrophobicContact CD2-CB 4.3Å; F695-V709 HydrophobicContact CD2-CG2 4.3Å; F695-V709 HydrophobicContact CE1-CB 3.72Å; F695-V709 HydrophobicContact CE1-CG1 3.64Å; F695-V709 HydrophobicContact CE1-CG2 4.21Å; F695-V709 HydrophobicContact CE2-CB 4Å; F695-V709 HydrophobicContact CE2-CG2 3.69Å; F695-V709 HydrophobicContact CG-CB 4.33Å; F695-V709 HydrophobicContact CZ-CB 3.7Å; F695-V709 HydrophobicContact CZ-CG1 3.84Å; F695-V709 HydrophobicContact CZ-CG2 3.65Å; F695-V709 PolarHBondContact N-O 2.85Å; F695-V709 PolarHBondContact O-N 3.07Å; F695-V741 HydrophobicContact CZ-CG1 4.16Å; F695-A744 HydrophobicContact CE2-CB 3.96Å; F695-A744 HydrophobicContact CZ-CB 4.22Å |
| 696 | S | 92.3 | Very high | 87.9 | Confident | 89 Ų | 89 | 71.1 Ų | 71.1 | 62% | 0.622 | 40% | 0.396 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -132.5 | 138.6 | 179 | 59.5 | 0 | 0 | 0 | 0 | 110.9 | L707 | S696-L707 CarbonylContact C-O 3.55Å; S696-L707 WeakPolarHBondContact CA-O 3.43Å |
| 697 | L | 91.3 | Very high | 88.3 | Confident | 67 Ų | 67 | 70.3 Ų | 70.3 | 35% | 0.351 | 39% | 0.392 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.2 | 129.6 | -179.5 | -179.4 | 63.9 | 0 | 0 | 0 | 110.7 | V699 L707 A744 | L697-V699 HydrophobicContact CB-CG1 4.36Å; L697-V699 HydrophobicContact CD2-CG1 3.55Å; L697-V699 HydrophobicContact CG-CG1 3.73Å; L697-V699 PolarHBondContact O-N 3.44Å; L697-L707 PolarHBondContact N-O 2.73Å; L697-L707 PolarHBondContact O-N 2.64Å; L697-A744 WeakPolarHBondContact CD2-O 3.35Å |
| 698 | Q | 89.9 | Confident | 88.7 | Confident | 83 Ų | 83 | 69.8 Ų | 69.8 | 39% | 0.388 | 38% | 0.381 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.1 | 116.2 | 164.1 | -164.6 | 172.7 | 14.3 | 0 | 0 | 108.4 | M701 S704 F706 | Q698-M701 VanDerWaalsContact CD-SD 3.56Å; Q698-M701 HydrophobicContact CG-SD 4.29Å; Q698-S704 PolarHBondContact NE2-OG 2.96Å; Q698-S704 VanDerWaalsContact NE2-OG 3.08Å; Q698-F706 HydrophobicContact CB-CD1 3.85Å; Q698-F706 HydrophobicContact CB-CE1 3.67Å; Q698-F706 HydrophobicContact CG-CD1 3.97Å; Q698-F706 HydrophobicContact CG-CE1 3.61Å; Q698-F706 HydrophobicContact CG-CZ 4.01Å |
| 699 | V | 86 | Confident | 89 | Confident | 19 Ų | 19 | 66.9 Ų | 66.9 | 12% | 0.115 | 36% | 0.363 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.5 | -12 | -170.7 | -82 | 0 | 0 | 0 | 0 | 113.1 | L697 V705 L707 L751 | L697-V699 HydrophobicContact CB-CG1 4.36Å; L697-V699 HydrophobicContact CD2-CG1 3.55Å; L697-V699 HydrophobicContact CG-CG1 3.73Å; L697-V699 PolarHBondContact O-N 3.44Å; V699-V705 HydrophobicContact CG2-CB 3.96Å; V699-V705 HydrophobicContact CG2-CG1 3.67Å; V699-V705 VanDerWaalsContact CG2-O 3.27Å; V699-V705 WeakPolarHBondContact CG2-O 3.43Å; V699-V705 PolarHBondContact N-O 3.12Å; V699-L707 HydrophobicContact CG1-CB 4.48Å; V699-L707 HydrophobicContact CG2-CB 4.12Å; V699-L751 HydrophobicContact CB-CD2 4.21Å; V699-L751 HydrophobicContact CG1-CD2 4.38Å; V699-L751 HydrophobicContact CG2-CD2 3.67Å |
| 700 | S | 83 | Confident | 89.2 | Confident | 20 Ų | 20 | 68.2 Ų | 68.2 | 14% | 0.14 | 37% | 0.366 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.9 | 148 | 166.7 | 177.9 | 0 | 0 | 0 | 0 | 109.7 | P703 S704 V705 | S700-P703 CarbonylContact C-O 3.51Å; S700-P703 WeakPolarHBondContact CB-O 3.3Å; S700-P703 PolarHBondContact OG-O 3.33Å; S700-S704 WeakPolarHBondContact O-CA 3.28Å; S700-V705 PolarHBondContact N-O 3.27Å; S700-V705 PolarHBondContact O-N 3.25Å |
| 701 | M | 78.3 | Confident | 89.5 | Confident | 143 Ų | 143 | 64.1 Ų | 64.1 | 70% | 0.704 | 34% | 0.336 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -95 | -37.5 | 177 | -64.4 | -59.4 | -58.2 | 0 | 0 | 112.5 | Q698 P703 S704 | Q698-M701 VanDerWaalsContact CD-SD 3.56Å; Q698-M701 HydrophobicContact CG-SD 4.29Å; M701-P703 CarbonylContact C-O 3.03Å; M701-S704 PolarHBondContact O-N 3.07Å |
| 702 | D | 77.2 | Confident | 89.4 | Confident | 147 Ų | 147 | 63 Ų | 63 | 79% | 0.786 | 33% | 0.331 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -142.3 | 106.6 | -177.9 | -175.8 | 13.2 | 0 | 0 | 0 | 109.7 | ||
| 703 | P | 77.4 | Confident | 89.3 | Confident | 30 Ų | 30 | 61.2 Ų | 61.2 | 20% | 0.195 | 33% | 0.327 | C | S | . | . | T | Hydrogen-bonded Turn | cis | -61.7 | 159.3 | -11.7 | 24.9 | -30.9 | 0 | 0 | 0 | 111.9 | S700 M701 V705 R728 D729 | S700-P703 CarbonylContact C-O 3.51Å; S700-P703 WeakPolarHBondContact CB-O 3.3Å; S700-P703 PolarHBondContact OG-O 3.33Å; M701-P703 CarbonylContact C-O 3.03Å; P703-V705 PolarHBondContact O-N 3.29Å; P703-R728 VanDerWaalsContact CG-NH2 3.34Å; P703-D729 WeakPolarHBondContact CB-OD1 3.49Å; P703-D729 VanDerWaalsContact CB-OD2 3.25Å; P703-D729 WeakPolarHBondContact CB-OD2 3.48Å |
| 704 | S | 84.6 | Confident | 89 | Confident | 41 Ų | 41 | 56.6 Ų | 56.6 | 29% | 0.287 | 31% | 0.314 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.1 | 120 | -179.8 | -167.4 | 0 | 0 | 0 | 0 | 110.3 | Q698 S700 M701 F706 | Q698-S704 PolarHBondContact NE2-OG 2.96Å; Q698-S704 VanDerWaalsContact NE2-OG 3.08Å; S700-S704 WeakPolarHBondContact O-CA 3.28Å; M701-S704 PolarHBondContact O-N 3.07Å; S704-F706 WeakPolarHBondContact OG-CE2 3.17Å |
| 705 | V | 87.9 | Confident | 88.5 | Confident | 0 Ų | 0 | 58.2 Ų | 58.2 | 0% | 0 | 32% | 0.318 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.6 | 123.9 | -179.5 | -173.2 | 0 | 0 | 0 | 0 | 109.5 | V699 S700 P703 C726 S727 R728 | V699-V705 HydrophobicContact CG2-CB 3.96Å; V699-V705 HydrophobicContact CG2-CG1 3.67Å; V699-V705 VanDerWaalsContact CG2-O 3.27Å; V699-V705 WeakPolarHBondContact CG2-O 3.43Å; V699-V705 PolarHBondContact N-O 3.12Å; S700-V705 PolarHBondContact N-O 3.27Å; S700-V705 PolarHBondContact O-N 3.25Å; P703-V705 PolarHBondContact O-N 3.29Å; V705-C726 VanDerWaalsContact CG1-SG 3.52Å; V705-S727 WeakPolarHBondContact CA-O 3.34Å; V705-R728 HydrophobicContact CG1-CB 4.41Å; V705-R728 HydrophobicContact CG2-CB 4.04Å; V705-R728 HydrophobicContact CG2-CG 3.84Å |
| 706 | F | 91 | Very high | 87.6 | Confident | 90 Ų | 90 | 60 Ų | 60 | 40% | 0.395 | 33% | 0.332 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.6 | 135.1 | 173.9 | -65.5 | -83.6 | 0 | 0 | 0 | 109.9 | Q698 S704 C726 S727 | Q698-F706 HydrophobicContact CB-CD1 3.85Å; Q698-F706 HydrophobicContact CB-CE1 3.67Å; Q698-F706 HydrophobicContact CG-CD1 3.97Å; Q698-F706 HydrophobicContact CG-CE1 3.61Å; Q698-F706 HydrophobicContact CG-CZ 4.01Å; S704-F706 WeakPolarHBondContact OG-CE2 3.17Å; F706-C726 CarbonylContact O-C 3.21Å; F706-C726 VanDerWaalsContact O-CA 3.26Å; F706-C726 WeakPolarHBondContact O-CA 3.44Å; F706-C726 PolarHBondContact O-SG 2.9Å; F706-C726 VanDerWaalsContact O-SG 3.39Å; F706-S727 PolarHBondContact N-O 3.45Å; F706-S727 PolarHBondContact O-N 2.93Å |
| 707 | L | 92.9 | Very high | 86.6 | Confident | 1 Ų | 1 | 61 Ų | 61 | 1% | 0.005 | 35% | 0.346 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.8 | 114.5 | 172.6 | 178 | 63.4 | 0 | 0 | 0 | 108.9 | S696 L697 V699 V709 L724 C726 A744 L751 V753 | S696-L707 CarbonylContact C-O 3.55Å; S696-L707 WeakPolarHBondContact CA-O 3.43Å; L697-L707 PolarHBondContact N-O 2.73Å; L697-L707 PolarHBondContact O-N 2.64Å; V699-L707 HydrophobicContact CG1-CB 4.48Å; V699-L707 HydrophobicContact CG2-CB 4.12Å; L707-V709 HydrophobicContact CG-CG2 4.31Å; L707-L724 HydrophobicContact CD1-CB 4.4Å; L707-C726 HydrophobicContact CD1-CB 4.14Å; L707-A744 HydrophobicContact CD2-CB 3.76Å; L707-L751 HydrophobicContact CD2-CD2 4.15Å; L707-V753 HydrophobicContact CD2-CG1 4.24Å |
| 708 | E | 94.7 | Very high | 85.9 | Confident | 93 Ų | 93 | 60.9 Ų | 60.9 | 44% | 0.435 | 36% | 0.362 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.7 | 142.2 | 170 | -56.9 | 178.5 | 160.7 | 0 | 0 | 109.7 | L724 R725 | E708-L724 WeakPolarHBondContact O-CA 3.34Å; E708-R725 HydrophobicContact CB-CB 4.27Å; E708-R725 PolarHBondContact N-O 3.33Å; E708-R725 PolarHBondContact O-N 3.16Å; E708-R725 WeakPolarHBondContact OE2-CD 3.4Å; E708-R725 IonicContact OE2-CZ 3.53Å; E708-R725 IonicContact OE2-NE 3.4Å; E708-R725 PolarHBondContact OE2-NE 3.34Å |
| 709 | V | 96.1 | Very high | 85.1 | Confident | 2 Ų | 2 | 59.8 Ų | 59.8 | 1% | 0.012 | 36% | 0.363 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.8 | 121 | 179.6 | -177.4 | 0 | 0 | 0 | 0 | 107.4 | A694 F695 L707 L724 V741 A744 | A694-V709 CarbonylContact C-O 3.53Å; A694-V709 WeakPolarHBondContact CA-O 3.42Å; F695-V709 HydrophobicContact CD1-CB 4.04Å; F695-V709 HydrophobicContact CD1-CG1 4.29Å; F695-V709 HydrophobicContact CD2-CB 4.3Å; F695-V709 HydrophobicContact CD2-CG2 4.3Å; F695-V709 HydrophobicContact CE1-CB 3.72Å; F695-V709 HydrophobicContact CE1-CG1 3.64Å; F695-V709 HydrophobicContact CE1-CG2 4.21Å; F695-V709 HydrophobicContact CE2-CB 4Å; F695-V709 HydrophobicContact CE2-CG2 3.69Å; F695-V709 HydrophobicContact CG-CB 4.33Å; F695-V709 HydrophobicContact CZ-CB 3.7Å; F695-V709 HydrophobicContact CZ-CG1 3.84Å; F695-V709 HydrophobicContact CZ-CG2 3.65Å; F695-V709 PolarHBondContact N-O 2.85Å; F695-V709 PolarHBondContact O-N 3.07Å; L707-V709 HydrophobicContact CG-CG2 4.31Å; V709-L724 HydrophobicContact CB-CD2 4.43Å; V709-L724 HydrophobicContact CG1-CD2 4.14Å; V709-L724 HydrophobicContact CG2-CD2 3.85Å; V709-V741 HydrophobicContact CG1-CB 3.7Å; V709-V741 HydrophobicContact CG1-CG1 3.97Å; V709-V741 HydrophobicContact CG1-CG2 4.06Å; V709-A744 HydrophobicContact CG2-CB 4.38Å |
| 710 | E | 96.1 | Very high | 85.1 | Confident | 72 Ų | 72 | 63.6 Ų | 63.6 | 34% | 0.336 | 38% | 0.378 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.1 | 121.8 | 169.7 | -163.6 | -178.7 | -175.4 | 0 | 0 | 108.6 | A694 V713 S722 Q723 | A694-E710 HydrophobicContact CB-CG 4.16Å; E710-V713 HydrophobicContact CB-CG2 3.71Å; E710-V713 HydrophobicContact CG-CG2 3.67Å; E710-V713 VanDerWaalsContact O-CG2 3.31Å; E710-V713 WeakPolarHBondContact O-CG2 3.15Å; E710-S722 CarbonylContact O-C 3.59Å; E710-S722 VanDerWaalsContact O-CA 3.3Å; E710-S722 WeakPolarHBondContact O-CA 3.31Å; E710-Q723 PolarHBondContact N-O 3.13Å; E710-Q723 PolarHBondContact O-N 3.02Å |
| 711 | N | 95.2 | Very high | 85.5 | Confident | 2 Ų | 2 | 64.2 Ų | 64.2 | 1% | 0.011 | 38% | 0.379 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.4 | 147.8 | -179 | -73.3 | -44.3 | 0 | 0 | 0 | 110.8 | L691 Q692 K693 V713 S722 V741 | L691-N711 HydrophobicContact CD1-CB 4.39Å; L691-N711 WeakPolarHBondContact CD1-ND2 3.07Å; Q692-N711 PolarHBondContact O-ND2 3.37Å; K693-N711 PolarHBondContact O-N 2.85Å; N711-V713 VanDerWaalsContact C-N 3.28Å; N711-V713 PolarHBondContact O-N 3.15Å; N711-S722 WeakPolarHBondContact OD1-CB 3.36Å; N711-S722 PolarHBondContact OD1-OG 3.18Å; N711-S722 VanDerWaalsContact OD1-OG 3.14Å; N711-V741 PolarHBondContact ND2-O 3.28Å; N711-V741 PolarHBondContact OD1-N 2.88Å |
| 712 | D | 89.8 | Confident | 86.3 | Confident | 58 Ų | 58 | 57.4 Ų | 57.4 | 31% | 0.31 | 35% | 0.346 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 58.9 | 34.1 | 174.1 | -54.7 | 4.6 | 0 | 0 | 0 | 114.1 | S714 K720 L721 S740 | D712-S714 VanDerWaalsContact C-N 3.27Å; D712-S714 PolarHBondContact O-N 3.08Å; D712-K720 WeakPolarHBondContact OD2-CD 3.39Å; D712-K720 VanDerWaalsContact OD2-CE 3.24Å; D712-K720 WeakPolarHBondContact OD2-CE 3.12Å; D712-K720 IonicContact OD2-NZ 3.5Å; D712-K720 PolarHBondContact OD2-NZ 3.29Å; D712-L721 CarbonylContact C-O 3.52Å; D712-L721 PolarHBondContact N-O 3.37Å; D712-S740 PolarHBondContact OD1-OG 3.23Å |
| 713 | V | 90.4 | Very high | 87.1 | Confident | 66 Ų | 66 | 52.3 Ų | 52.3 | 40% | 0.4 | 32% | 0.318 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -64 | -31.5 | -178.2 | -171.5 | 0 | 0 | 0 | 0 | 112.2 | E710 N711 L721 Q723 | E710-V713 HydrophobicContact CB-CG2 3.71Å; E710-V713 HydrophobicContact CG-CG2 3.67Å; E710-V713 VanDerWaalsContact O-CG2 3.31Å; E710-V713 WeakPolarHBondContact O-CG2 3.15Å; N711-V713 VanDerWaalsContact C-N 3.28Å; N711-V713 PolarHBondContact O-N 3.15Å; V713-L721 PolarHBondContact N-O 2.84Å; V713-Q723 HydrophobicContact CG2-CB 3.98Å |
| 714 | S | 85.6 | Confident | 88 | Confident | 60 Ų | 60 | 51 Ų | 51 | 42% | 0.42 | 31% | 0.309 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -150 | 164.4 | 178.8 | -164.2 | 0 | 0 | 0 | 0 | 110.8 | D712 L721 | D712-S714 VanDerWaalsContact C-N 3.27Å; D712-S714 PolarHBondContact O-N 3.08Å; S714-L721 PolarHBondContact O-N 2.59Å |
| 715 | V | 82.7 | Confident | 88.4 | Confident | 94 Ų | 94 | 53.6 Ų | 53.6 | 57% | 0.57 | 31% | 0.312 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -128.2 | 118.6 | 172.3 | -179.2 | 0 | 0 | 0 | 0 | 108.4 | S719 K720 | V715-S719 WeakPolarHBondContact CA-O 3.28Å; V715-K720 HydrophobicContact CG2-CG 4.28Å |
| 716 | V | 76.3 | Confident | 88.6 | Confident | 82 Ų | 82 | 53.6 Ų | 53.6 | 50% | 0.497 | 31% | 0.312 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.7 | 127.6 | -177.5 | -179.1 | 0 | 0 | 0 | 0 | 108.6 | G718 S719 L721 | V716-G718 PolarHBondContact O-N 3.31Å; V716-S719 PolarHBondContact N-O 2.77Å; V716-S719 PolarHBondContact O-N 3.17Å; V716-L721 HydrophobicContact CB-CD1 3.99Å; V716-L721 HydrophobicContact CB-CG 4.49Å; V716-L721 HydrophobicContact CG2-CD1 3.59Å; V716-L721 HydrophobicContact CG2-CG 4.38Å |
| 717 | A | 72.9 | Confident | 88.6 | Confident | 110 Ų | 110 | 51 Ų | 51 | 91% | 0.909 | 31% | 0.305 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 52.3 | 24.3 | -175.4 | 0 | 0 | 0 | 0 | 0 | 115.1 | ||
| 718 | G | 75 | Confident | 88.2 | Confident | 66 Ų | 66 | 54.3 Ų | 54.3 | 68% | 0.68 | 32% | 0.318 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 90.9 | -14 | -177.1 | 0 | 0 | 0 | 0 | 0 | 114.9 | V716 | V716-G718 PolarHBondContact O-N 3.31Š|
| 719 | S | 75.1 | Confident | 87.6 | Confident | 60 Ų | 60 | 54.9 Ų | 54.9 | 42% | 0.42 | 32% | 0.324 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.2 | 134.1 | 171.7 | -67.6 | 0 | 0 | 0 | 0 | 111 | V715 V716 | V715-S719 WeakPolarHBondContact CA-O 3.28Å; V716-S719 PolarHBondContact N-O 2.77Å; V716-S719 PolarHBondContact O-N 3.17Å |
| 720 | K | 85.4 | Confident | 86.6 | Confident | 99 Ų | 99 | 58.3 Ų | 58.3 | 43% | 0.43 | 36% | 0.359 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -73 | 133.7 | 167.6 | -71.1 | 169.5 | 159.7 | -158.9 | 0 | 109.2 | D712 V715 P738 | D712-K720 WeakPolarHBondContact OD2-CD 3.39Å; D712-K720 VanDerWaalsContact OD2-CE 3.24Å; D712-K720 WeakPolarHBondContact OD2-CE 3.12Å; D712-K720 IonicContact OD2-NZ 3.5Å; D712-K720 PolarHBondContact OD2-NZ 3.29Å; V715-K720 HydrophobicContact CG2-CG 4.28Å; K720-P738 CarbonylContact O-C 3.53Å; K720-P738 VanDerWaalsContact O-O 3.08Å |
| 721 | L | 91.3 | Very high | 85.9 | Confident | 32 Ų | 32 | 64.6 Ų | 64.6 | 17% | 0.168 | 38% | 0.38 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.3 | 127.4 | 177.9 | -58.5 | -173.1 | 0 | 0 | 0 | 110.7 | D712 V713 S714 V716 L736 L737 | D712-L721 CarbonylContact C-O 3.52Å; D712-L721 PolarHBondContact N-O 3.37Å; V713-L721 PolarHBondContact N-O 2.84Å; S714-L721 PolarHBondContact O-N 2.59Å; V716-L721 HydrophobicContact CB-CD1 3.99Å; V716-L721 HydrophobicContact CB-CG 4.49Å; V716-L721 HydrophobicContact CG2-CD1 3.59Å; V716-L721 HydrophobicContact CG2-CG 4.38Å; L721-L736 HydrophobicContact CD1-CD1 4.37Å; L721-L737 WeakPolarHBondContact CA-O 3.37Å |
| 722 | S | 94.5 | Very high | 85.7 | Confident | 0 Ų | 0 | 69.3 Ų | 69.3 | 0% | 0 | 41% | 0.405 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.9 | 134.4 | 175.2 | -51.1 | 0 | 0 | 0 | 0 | 109.6 | E710 N711 L736 L737 S739 S740 | E710-S722 CarbonylContact O-C 3.59Å; E710-S722 VanDerWaalsContact O-CA 3.3Å; E710-S722 WeakPolarHBondContact O-CA 3.31Å; N711-S722 WeakPolarHBondContact OD1-CB 3.36Å; N711-S722 PolarHBondContact OD1-OG 3.18Å; N711-S722 VanDerWaalsContact OD1-OG 3.14Å; S722-L736 CarbonylContact O-C 3.59Å; S722-L736 WeakPolarHBondContact O-CA 3.4Å; S722-L737 PolarHBondContact N-O 3.48Å; S722-L737 PolarHBondContact O-N 3.31Å; S722-S739 WeakPolarHBondContact CB-O 3.3Å; S722-S739 PolarHBondContact OG-O 3.43Å; S722-S740 WeakPolarHBondContact OG-CA 3.3Å |
| 723 | Q | 94.7 | Very high | 85.9 | Confident | 41 Ų | 41 | 68.4 Ų | 68.4 | 19% | 0.192 | 40% | 0.397 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.7 | 132.3 | 176.2 | -176.9 | 167.7 | 97.7 | 0 | 0 | 110.7 | E710 V713 N734 T735 L736 | E710-Q723 PolarHBondContact N-O 3.13Å; E710-Q723 PolarHBondContact O-N 3.02Å; V713-Q723 HydrophobicContact CG2-CB 3.98Å; Q723-N734 HydrophobicContact CG-CB 4.45Å; Q723-T735 WeakPolarHBondContact CA-O 3.39Å; Q723-L736 HydrophobicContact CB-CD2 4.02Å; Q723-L736 HydrophobicContact CG-CD2 4.45Å |
| 724 | L | 95.4 | Very high | 86 | Confident | 1 Ų | 1 | 70 Ų | 70 | 1% | 0.005 | 40% | 0.404 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.6 | 137.3 | 158.2 | -52.2 | 177.4 | 0 | 0 | 0 | 108 | L707 E708 V709 W733 N734 T735 L737 V741 V753 F763 | L707-L724 HydrophobicContact CD1-CB 4.4Å; E708-L724 WeakPolarHBondContact O-CA 3.34Å; V709-L724 HydrophobicContact CB-CD2 4.43Å; V709-L724 HydrophobicContact CG1-CD2 4.14Å; V709-L724 HydrophobicContact CG2-CD2 3.85Å; L724-W733 HydrophobicContact CB-CZ3 4.47Å; L724-N734 CarbonylContact O-C 3.57Å; L724-N734 WeakPolarHBondContact O-CA 3.38Å; L724-N734 VanDerWaalsContact O-CB 3.28Å; L724-N734 WeakPolarHBondContact O-CB 3.48Å; L724-T735 HydrophobicContact CB-CG2 4.24Å; L724-T735 HydrophobicContact CD1-CG2 3.97Å; L724-T735 HydrophobicContact CG-CG2 4.33Å; L724-T735 PolarHBondContact N-O 2.94Å; L724-T735 PolarHBondContact O-N 3.3Å; L724-L737 HydrophobicContact CD1-CD1 4.01Å; L724-L737 HydrophobicContact CD2-CD1 4.21Å; L724-L737 HydrophobicContact CG-CD1 4.11Å; L724-V741 HydrophobicContact CD2-CG2 4.29Å; L724-V753 HydrophobicContact CD1-CG1 4.14Å; L724-V753 HydrophobicContact CD1-CG2 4.11Å; L724-V753 HydrophobicContact CD2-CG1 4.07Å; L724-F763 HydrophobicContact CD1-CD2 4.34Å; L724-F763 HydrophobicContact CD1-CE2 3.71Å; L724-F763 HydrophobicContact CD1-CZ 4.04Å |
| 725 | R | 93.2 | Very high | 86.4 | Confident | 96 Ų | 96 | 69.3 Ų | 69.3 | 36% | 0.362 | 40% | 0.397 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.3 | 131.9 | 163.1 | -174.6 | -160.3 | -46.6 | -113.3 | -11.5 | 107.9 | E708 W733 N734 | E708-R725 HydrophobicContact CB-CB 4.27Å; E708-R725 PolarHBondContact N-O 3.33Å; E708-R725 PolarHBondContact O-N 3.16Å; E708-R725 WeakPolarHBondContact OE2-CD 3.4Å; E708-R725 IonicContact OE2-CZ 3.53Å; E708-R725 IonicContact OE2-NE 3.4Å; E708-R725 PolarHBondContact OE2-NE 3.34Å; R725-W733 CarbonylContact C-O 3.59Å; R725-W733 WeakPolarHBondContact CA-O 3.28Å; R725-N734 HydrophobicContact CB-CB 4.49Å |
| 726 | C | 92.7 | Very high | 86.8 | Confident | 0 Ų | 0 | 69.2 Ų | 69.2 | 0% | 0 | 39% | 0.393 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.7 | 130.2 | 174.6 | -174.6 | 0 | 0 | 0 | 0 | 109.1 | V705 F706 L707 D732 W733 L751 | V705-C726 VanDerWaalsContact CG1-SG 3.52Å; F706-C726 CarbonylContact O-C 3.21Å; F706-C726 VanDerWaalsContact O-CA 3.26Å; F706-C726 WeakPolarHBondContact O-CA 3.44Å; F706-C726 PolarHBondContact O-SG 2.9Å; F706-C726 VanDerWaalsContact O-SG 3.39Å; L707-C726 HydrophobicContact CD1-CB 4.14Å; C726-D732 WeakPolarHBondContact O-CA 3.4Å; C726-W733 HydrophobicContact CB-CD2 4.02Å; C726-W733 HydrophobicContact CB-CG 4.49Å; C726-W733 HydrophobicContact CB-CH2 4.15Å; C726-W733 HydrophobicContact CB-CZ2 3.43Å; C726-W733 VanDerWaalsContact CB-CZ2 3.43Å; C726-W733 PolarHBondContact N-O 2.76Å; C726-W733 PolarHBondContact O-N 2.98Å; C726-L751 HydrophobicContact CB-CD1 4.29Å; C726-L751 VanDerWaalsContact SG-CD1 3.53Å |
| 727 | S | 90.1 | Very high | 87.6 | Confident | 35 Ų | 35 | 65.5 Ų | 65.5 | 25% | 0.245 | 37% | 0.37 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.3 | 132.6 | 172.2 | -165.7 | 0 | 0 | 0 | 0 | 109.7 | V705 F706 D732 | V705-S727 WeakPolarHBondContact CA-O 3.34Å; F706-S727 PolarHBondContact N-O 3.45Å; F706-S727 PolarHBondContact O-N 2.93Å; S727-D732 WeakPolarHBondContact CA-OD1 3.37Å; S727-D732 WeakPolarHBondContact CB-OD1 3.37Å; S727-D732 PolarHBondContact OG-OD1 3.47Å |
| 728 | R | 86.1 | Confident | 88.4 | Confident | 72 Ų | 72 | 64.1 Ų | 64.1 | 27% | 0.272 | 35% | 0.352 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.9 | 118.8 | 173.7 | 171.6 | 169.6 | 178.8 | 162.4 | -4.7 | 109.1 | P703 V705 G730 R731 S748 C765 | P703-R728 VanDerWaalsContact CG-NH2 3.34Å; V705-R728 HydrophobicContact CG1-CB 4.41Å; V705-R728 HydrophobicContact CG2-CB 4.04Å; V705-R728 HydrophobicContact CG2-CG 3.84Å; R728-G730 PolarHBondContact O-N 3.43Å; R728-G730 VanDerWaalsContact O-N 3.14Å; R728-R731 PolarHBondContact N-O 3.19Å; R728-R731 WeakPolarHBondContact O-CA 3.29Å; R728-R731 WeakPolarHBondContact O-CB 3.26Å; R728-R731 PolarHBondContact O-N 3.28Å; R728-S748 PolarHBondContact NH1-O 2.81Å; R728-C765 VanDerWaalsContact NH1-CB 3.33Å |
| 729 | D | 81.1 | Confident | 89.2 | Confident | 105 Ų | 105 | 61.8 Ų | 61.8 | 56% | 0.561 | 33% | 0.325 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 51.9 | 37.2 | 176.3 | -47.3 | -47.9 | 0 | 0 | 0 | 113.3 | P703 R731 | P703-D729 WeakPolarHBondContact CB-OD1 3.49Å; P703-D729 VanDerWaalsContact CB-OD2 3.25Å; P703-D729 WeakPolarHBondContact CB-OD2 3.48Å; D729-R731 VanDerWaalsContact C-N 3.31Å; D729-R731 PolarHBondContact O-N 3.27Å |
| 730 | G | 74.8 | Confident | 90.2 | Very high | 73 Ų | 73 | 59.1 Ų | 59.1 | 75% | 0.753 | 31% | 0.306 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 76.5 | 9.1 | -176.5 | 0 | 0 | 0 | 0 | 0 | 115.4 | R728 | R728-G730 PolarHBondContact O-N 3.43Å; R728-G730 VanDerWaalsContact O-N 3.14Å |
| 731 | R | 82.3 | Confident | 90.6 | Very high | 205 Ų | 205 | 54.4 Ų | 54.4 | 77% | 0.774 | 29% | 0.286 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -104 | 115.4 | 171.3 | -57 | -174.5 | -175.2 | -150.9 | 0.5 | 109.9 | R728 D729 | R728-R731 PolarHBondContact N-O 3.19Å; R728-R731 WeakPolarHBondContact O-CA 3.29Å; R728-R731 WeakPolarHBondContact O-CB 3.26Å; R728-R731 PolarHBondContact O-N 3.28Å; D729-R731 VanDerWaalsContact C-N 3.31Å; D729-R731 PolarHBondContact O-N 3.27Å |
| 732 | D | 90.1 | Very high | 90.8 | Very high | 100 Ų | 100 | 54 Ų | 54 | 54% | 0.535 | 28% | 0.283 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.9 | 141.8 | 179.2 | -68.7 | 3.4 | 0 | 0 | 0 | 111.3 | C726 S727 | C726-D732 WeakPolarHBondContact O-CA 3.4Å; S727-D732 WeakPolarHBondContact CA-OD1 3.37Å; S727-D732 WeakPolarHBondContact CB-OD1 3.37Å; S727-D732 PolarHBondContact OG-OD1 3.47Å |
| 733 | W | 93.6 | Very high | 90.8 | Very high | 39 Ų | 39 | 54.6 Ų | 54.6 | 15% | 0.148 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133 | 156.9 | 160.5 | 64.4 | -95.3 | 0 | 0 | 0 | 110.1 | L724 R725 C726 T735 L751 F763 C765 G767 | L724-W733 HydrophobicContact CB-CZ3 4.47Å; R725-W733 CarbonylContact C-O 3.59Å; R725-W733 WeakPolarHBondContact CA-O 3.28Å; C726-W733 HydrophobicContact CB-CD2 4.02Å; C726-W733 HydrophobicContact CB-CG 4.49Å; C726-W733 HydrophobicContact CB-CH2 4.15Å; C726-W733 HydrophobicContact CB-CZ2 3.43Å; C726-W733 VanDerWaalsContact CB-CZ2 3.43Å; C726-W733 PolarHBondContact N-O 2.76Å; C726-W733 PolarHBondContact O-N 2.98Å; W733-T735 HydrophobicContact CZ3-CG2 3.89Å; W733-L751 HydrophobicContact CZ2-CD1 3.69Å; W733-F763 HydrophobicContact CH2-CB 4.46Å; W733-F763 HydrophobicContact CH2-CG 4.49Å; W733-C765 PolarHBondContact NE1-O 3.14Å; W733-G767 VanDerWaalsContact CE3-CA 3.45Å; W733-G767 VanDerWaalsContact CZ2-CA 3.48Å |
| 734 | N | 92.8 | Very high | 90.9 | Very high | 101 Ų | 101 | 53.3 Ų | 53.3 | 54% | 0.54 | 29% | 0.285 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.2 | 160.6 | 172.1 | 64.2 | 43.1 | 0 | 0 | 0 | 111.6 | Q723 L724 R725 | Q723-N734 HydrophobicContact CG-CB 4.45Å; L724-N734 CarbonylContact O-C 3.57Å; L724-N734 WeakPolarHBondContact O-CA 3.38Å; L724-N734 VanDerWaalsContact O-CB 3.28Å; L724-N734 WeakPolarHBondContact O-CB 3.48Å; R725-N734 HydrophobicContact CB-CB 4.49Å |
| 735 | T | 93.9 | Very high | 90.8 | Very high | 44 Ų | 44 | 53.7 Ų | 53.7 | 27% | 0.27 | 29% | 0.289 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -153.8 | 168.3 | 171.2 | -152 | 0 | 0 | 0 | 0 | 110.5 | Q723 L724 W733 F763 | Q723-T735 WeakPolarHBondContact CA-O 3.39Å; L724-T735 HydrophobicContact CB-CG2 4.24Å; L724-T735 HydrophobicContact CD1-CG2 3.97Å; L724-T735 HydrophobicContact CG-CG2 4.33Å; L724-T735 PolarHBondContact N-O 2.94Å; L724-T735 PolarHBondContact O-N 3.3Å; W733-T735 HydrophobicContact CZ3-CG2 3.89Å; T735-F763 HydrophobicContact CG2-CE1 3.77Å; T735-F763 HydrophobicContact CG2-CZ 3.91Å |
| 736 | L | 92.3 | Very high | 90.8 | Very high | 93 Ų | 93 | 49.7 Ų | 49.7 | 49% | 0.487 | 28% | 0.277 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.7 | 146.2 | -179.3 | -65.2 | 171.7 | 0 | 0 | 0 | 111.3 | L721 S722 Q723 | L721-L736 HydrophobicContact CD1-CD1 4.37Å; S722-L736 CarbonylContact O-C 3.59Å; S722-L736 WeakPolarHBondContact O-CA 3.4Å; Q723-L736 HydrophobicContact CB-CD2 4.02Å; Q723-L736 HydrophobicContact CG-CD2 4.45Å |
| 737 | L | 92.7 | Very high | 90.7 | Very high | 3 Ų | 3 | 50.1 Ų | 50.1 | 2% | 0.016 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.6 | 146.5 | 172.3 | -71.2 | 170.4 | 0 | 0 | 0 | 110.2 | L721 S722 L724 S739 V741 V753 F763 | L721-L737 WeakPolarHBondContact CA-O 3.37Å; S722-L737 PolarHBondContact N-O 3.48Å; S722-L737 PolarHBondContact O-N 3.31Å; L724-L737 HydrophobicContact CD1-CD1 4.01Å; L724-L737 HydrophobicContact CD2-CD1 4.21Å; L724-L737 HydrophobicContact CG-CD1 4.11Å; L737-S739 VanDerWaalsContact C-N 3.25Å; L737-S739 PolarHBondContact O-N 3.34Å; L737-V741 HydrophobicContact CD1-CG2 3.54Å; L737-V753 HydrophobicContact CD1-CG2 3.81Å; L737-F763 HydrophobicContact CD2-CZ 4.27Å |
| 738 | P | 90.3 | Very high | 90.4 | Very high | 82 Ų | 82 | 50.6 Ų | 50.6 | 53% | 0.532 | 28% | 0.283 | S | S | . | . | S | Bend | trans | -84.2 | 6.8 | -177.8 | 36.5 | -37.7 | 0 | 0 | 0 | 114.5 | K720 | K720-P738 CarbonylContact O-C 3.53Å; K720-P738 VanDerWaalsContact O-O 3.08Å |
| 739 | S | 91.9 | Very high | 90.4 | Very high | 17 Ų | 17 | 50.5 Ų | 50.5 | 12% | 0.119 | 29% | 0.288 | C | S | . | . | S | Bend | trans | -145.9 | 162.2 | -168.1 | -45.1 | 0 | 0 | 0 | 0 | 109.4 | S722 L737 D757 | S722-S739 WeakPolarHBondContact CB-O 3.3Å; S722-S739 PolarHBondContact OG-O 3.43Å; L737-S739 VanDerWaalsContact C-N 3.25Å; L737-S739 PolarHBondContact O-N 3.34Å; S739-D757 WeakPolarHBondContact CB-OD2 3.48Å; S739-D757 PolarHBondContact OG-OD2 3.25Å |
| 740 | S | 94.3 | Very high | 91 | Very high | 3 Ų | 3 | 45.8 Ų | 45.8 | 2% | 0.021 | 26% | 0.263 | C | S | . | . | trans | -90.3 | 129 | -174.3 | -50.9 | 0 | 0 | 0 | 0 | 110.9 | D712 S722 C755 D756 | D712-S740 PolarHBondContact OD1-OG 3.23Å; S722-S740 WeakPolarHBondContact OG-CA 3.3Å; S740-C755 CarbonylContact O-C 3.37Å; S740-C755 VanDerWaalsContact O-CA 3.29Å; S740-C755 WeakPolarHBondContact O-CA 3.39Å; S740-D756 PolarHBondContact N-OD1 2.81Å; S740-D756 PolarHBondContact O-N 2.96Å | ||
| 741 | V | 95.6 | Very high | 92 | Very high | 0 Ų | 0 | 42.4 Ų | 42.4 | 0% | 0 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.5 | 125.2 | -173 | -178.7 | 0 | 0 | 0 | 0 | 110.8 | F695 V709 N711 L724 L737 V753 | F695-V741 HydrophobicContact CZ-CG1 4.16Å; V709-V741 HydrophobicContact CG1-CB 3.7Å; V709-V741 HydrophobicContact CG1-CG1 3.97Å; V709-V741 HydrophobicContact CG1-CG2 4.06Å; N711-V741 PolarHBondContact ND2-O 3.28Å; N711-V741 PolarHBondContact OD1-N 2.88Å; L724-V741 HydrophobicContact CD2-CG2 4.29Å; L737-V741 HydrophobicContact CD1-CG2 3.54Å; V741-V753 HydrophobicContact CG1-CB 4.13Å |
| 742 | L | 95 | Very high | 92.7 | Very high | 23 Ų | 23 | 32.7 Ų | 32.7 | 12% | 0.12 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.5 | -33.4 | 178.4 | -63.6 | -178.3 | 0 | 0 | 0 | 113.2 | T688 P689 L691 A754 D756 V780 | T688-L742 HydrophobicContact CG2-CD1 3.98Å; P689-L742 WeakPolarHBondContact CB-O 3.42Å; L691-L742 HydrophobicContact CB-CD2 3.88Å; L691-L742 HydrophobicContact CD1-CD2 4.1Å; L742-A754 PolarHBondContact N-O 2.89Å; L742-D756 HydrophobicContact CD1-CB 4.11Å; L742-D756 HydrophobicContact CD2-CB 4.34Å; L742-D756 HydrophobicContact CG-CB 4.12Å; L742-V780 HydrophobicContact CB-CG1 3.96Å; L742-V780 HydrophobicContact CD1-CG1 4.44Å |
| 743 | A | 94.9 | Very high | 93 | Very high | 13 Ų | 13 | 28 Ų | 28 | 11% | 0.107 | 17% | 0.166 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -145.8 | 147.6 | -178.9 | 0 | 0 | 0 | 0 | 0 | 111.5 | P689 V753 A754 V780 L783 | P689-A743 HydrophobicContact CG-CB 4.41Å; A743-V753 CarbonylContact O-C 3.45Å; A743-V753 WeakPolarHBondContact O-CA 3.49Å; A743-A754 PolarHBondContact N-O 2.85Å; A743-A754 PolarHBondContact O-N 3.5Å; A743-V780 HydrophobicContact CB-CG1 3.88Å; A743-V780 HydrophobicContact CB-CG2 4.04Å; A743-L783 HydrophobicContact CB-CB 4.22Å; A743-L783 HydrophobicContact CB-CD2 4.35Å |
| 744 | A | 95.2 | Very high | 93.1 | Very high | 15 Ų | 15 | 26.1 Ų | 26.1 | 12% | 0.124 | 16% | 0.159 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.8 | 148.3 | 174.5 | 0 | 0 | 0 | 0 | 0 | 110.7 | F695 L697 L707 V709 A752 V753 | F695-A744 HydrophobicContact CE2-CB 3.96Å; F695-A744 HydrophobicContact CZ-CB 4.22Å; L697-A744 WeakPolarHBondContact CD2-O 3.35Å; L707-A744 HydrophobicContact CD2-CB 3.76Å; V709-A744 HydrophobicContact CG2-CB 4.38Å; A744-A752 CarbonylContact C-O 3.52Å; A744-A752 WeakPolarHBondContact CA-O 3.29Å; A744-V753 HydrophobicContact CB-CG1 3.86Å |
| 745 | A | 94.9 | Very high | 93.2 | Very high | 9 Ų | 9 | 21.4 Ų | 21.4 | 7% | 0.074 | 13% | 0.134 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -150.9 | 168.2 | 171.9 | 0 | 0 | 0 | 0 | 0 | 110.3 | A752 L783 C785 | A745-A752 PolarHBondContact N-O 2.86Å; A745-A752 PolarHBondContact O-N 2.77Å; A745-A752 VanDerWaalsContact O-O 3.09Å; A745-L783 HydrophobicContact CB-CD2 4.36Å; A745-L783 HydrophobicContact CB-CG 3.89Å; A745-L783 WeakPolarHBondContact CB-O 3.33Å; A745-C785 HydrophobicContact CB-CB 4.45Å |
| 746 | G | 91.5 | Very high | 93.2 | Very high | 11 Ų | 11 | 23 Ų | 23 | 11% | 0.113 | 14% | 0.141 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -166.1 | 179.4 | 178.9 | 0 | 0 | 0 | 0 | 0 | 114 | V750 C785 | G746-V750 CarbonylContact C-O 3.57Å; G746-V750 VanDerWaalsContact CA-O 3.24Å; G746-V750 WeakPolarHBondContact CA-O 3.3Å; G746-C785 VanDerWaalsContact C-CB 3.46Å; G746-C785 WeakPolarHBondContact O-CB 3.19Å |
| 747 | S | 90.7 | Very high | 93.2 | Very high | 9 Ų | 9 | 21.3 Ų | 21.3 | 6% | 0.063 | 13% | 0.132 | C | C | . | . | trans | -143.7 | -169.1 | 177.1 | 69.5 | 0 | 0 | 0 | 0 | 110 | D749 V750 C765 A787 | S747-D749 PolarHBondContact O-N 2.91Å; S747-D749 PolarHBondContact OG-N 2.94Å; S747-V750 PolarHBondContact N-O 3.13Å; S747-V750 PolarHBondContact OG-N 2.89Å; S747-V750 VanDerWaalsContact OG-N 3.12Å; S747-V750 PolarHBondContact OG-O 3.36Å; S747-C765 PolarHBondContact O-SG 3.04Å; S747-A787 WeakPolarHBondContact CB-O 3.09Å; S747-A787 PolarHBondContact OG-O 3.39Å | ||
| 748 | S | 84.8 | Confident | 93.3 | Very high | 45 Ų | 45 | 26 Ų | 26 | 32% | 0.315 | 15% | 0.15 | S | C | . | . | S | Bend | trans | -63.1 | -15.8 | 166.7 | 53.1 | 0 | 0 | 0 | 0 | 114.4 | R728 C765 | R728-S748 PolarHBondContact NH1-O 2.81Å; S748-C765 PolarHBondContact O-SG 3.2Å; S748-C765 VanDerWaalsContact O-SG 3.38Å |
| 749 | D | 86.6 | Confident | 93.6 | Very high | 71 Ų | 71 | 24.8 Ų | 24.8 | 38% | 0.38 | 14% | 0.138 | S | C | . | . | S | Bend | trans | -119.2 | -44 | -164.9 | -50.2 | -16.7 | 0 | 0 | 0 | 112.2 | S747 C765 A787 H788 | S747-D749 PolarHBondContact O-N 2.91Å; S747-D749 PolarHBondContact OG-N 2.94Å; D749-C765 PolarHBondContact O-N 2.92Å; D749-A787 VanDerWaalsContact OD2-CA 3.24Å; D749-A787 WeakPolarHBondContact OD2-CA 3.32Å; D749-H788 PolarHBondContact OD2-N 2.94Å |
| 750 | V | 93.6 | Very high | 93.8 | Very high | 6 Ų | 6 | 24 Ų | 24 | 4% | 0.036 | 13% | 0.132 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138 | 156.1 | -170.1 | -54.1 | 0 | 0 | 0 | 0 | 112.4 | G746 S747 V762 F763 L770 V790 V804 | G746-V750 CarbonylContact C-O 3.57Å; G746-V750 VanDerWaalsContact CA-O 3.24Å; G746-V750 WeakPolarHBondContact CA-O 3.3Å; S747-V750 PolarHBondContact N-O 3.13Å; S747-V750 PolarHBondContact OG-N 2.89Å; S747-V750 VanDerWaalsContact OG-N 3.12Å; S747-V750 PolarHBondContact OG-O 3.36Å; V750-V762 HydrophobicContact CB-CG1 4.41Å; V750-F763 WeakPolarHBondContact CA-O 3.21Å; V750-L770 HydrophobicContact CB-CD1 4.48Å; V750-L770 HydrophobicContact CG1-CD1 3.82Å; V750-V790 HydrophobicContact CG2-CG2 4.19Å; V750-V804 HydrophobicContact CB-CG2 4.38Å; V750-V804 HydrophobicContact CG1-CG2 3.77Å; V750-V804 HydrophobicContact CG2-CG2 4.41Å |
| 751 | L | 94.7 | Very high | 93.9 | Very high | 2 Ų | 2 | 24 Ų | 24 | 1% | 0.01 | 13% | 0.132 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.1 | 129.3 | 177.3 | -69 | 157.8 | 0 | 0 | 0 | 108.6 | V699 L707 C726 W733 V762 F763 | V699-L751 HydrophobicContact CB-CD2 4.21Å; V699-L751 HydrophobicContact CG1-CD2 4.38Å; V699-L751 HydrophobicContact CG2-CD2 3.67Å; L707-L751 HydrophobicContact CD2-CD2 4.15Å; C726-L751 HydrophobicContact CB-CD1 4.29Å; C726-L751 VanDerWaalsContact SG-CD1 3.53Å; W733-L751 HydrophobicContact CZ2-CD1 3.69Å; L751-V762 CarbonylContact O-C 3.51Å; L751-V762 WeakPolarHBondContact O-CA 3.46Å; L751-F763 PolarHBondContact N-O 3.01Å; L751-F763 PolarHBondContact O-N 2.92Å |
| 752 | A | 96.6 | Very high | 94 | Very high | 0 Ų | 0 | 24.1 Ų | 24.1 | 0% | 0 | 13% | 0.133 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.2 | 141.2 | -179.5 | 0 | 0 | 0 | 0 | 0 | 110.5 | A744 A745 L760 S761 V762 L783 C785 V790 | A744-A752 CarbonylContact C-O 3.52Å; A744-A752 WeakPolarHBondContact CA-O 3.29Å; A745-A752 PolarHBondContact N-O 2.86Å; A745-A752 PolarHBondContact O-N 2.77Å; A745-A752 VanDerWaalsContact O-O 3.09Å; A752-L760 HydrophobicContact CB-CD1 4.35Å; A752-S761 WeakPolarHBondContact CA-O 3.15Å; A752-V762 HydrophobicContact CB-CG2 4.26Å; A752-L783 HydrophobicContact CB-CD1 4.05Å; A752-L783 HydrophobicContact CB-CD2 4.24Å; A752-L783 HydrophobicContact CB-CG 4.48Å; A752-L783 WeakPolarHBondContact O-CD2 3.12Å; A752-C785 VanDerWaalsContact CB-SG 3.6Å; A752-V790 HydrophobicContact CB-CG1 3.72Å; A752-V790 HydrophobicContact CB-CG2 4.25Å |
| 753 | V | 96.8 | Very high | 94 | Very high | 1 Ų | 1 | 23.1 Ų | 23.1 | 1% | 0.006 | 13% | 0.128 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.4 | 138.6 | 178.5 | -60.5 | 0 | 0 | 0 | 0 | 110 | L707 L724 L737 V741 A743 A744 L760 S761 F763 | L707-V753 HydrophobicContact CD2-CG1 4.24Å; L724-V753 HydrophobicContact CD1-CG1 4.14Å; L724-V753 HydrophobicContact CD1-CG2 4.11Å; L724-V753 HydrophobicContact CD2-CG1 4.07Å; L737-V753 HydrophobicContact CD1-CG2 3.81Å; V741-V753 HydrophobicContact CG1-CB 4.13Å; A743-V753 CarbonylContact O-C 3.45Å; A743-V753 WeakPolarHBondContact O-CA 3.49Å; A744-V753 HydrophobicContact CB-CG1 3.86Å; V753-L760 WeakPolarHBondContact O-CA 3.29Å; V753-S761 PolarHBondContact N-O 2.8Å; V753-S761 PolarHBondContact O-N 2.74Å; V753-F763 HydrophobicContact CG2-CE2 3.9Å |
| 754 | A | 97 | Very high | 93.8 | Very high | 1 Ų | 1 | 23.2 Ų | 23.2 | 1% | 0.008 | 13% | 0.127 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.4 | 130.1 | -179.4 | 0 | 0 | 0 | 0 | 0 | 110.5 | L742 A743 M759 L760 L776 V780 L783 | L742-A754 PolarHBondContact N-O 2.89Å; A743-A754 PolarHBondContact N-O 2.85Å; A743-A754 PolarHBondContact O-N 3.5Å; A754-M759 WeakPolarHBondContact CA-O 3.36Å; A754-L760 HydrophobicContact CB-CD1 4.23Å; A754-L776 HydrophobicContact CB-CD1 4.45Å; A754-V780 HydrophobicContact CB-CB 3.78Å; A754-V780 HydrophobicContact CB-CG1 3.83Å; A754-V780 HydrophobicContact CB-CG2 3.99Å; A754-L783 HydrophobicContact CB-CD2 4.29Å |
| 755 | C | 94.8 | Very high | 93.4 | Very high | 2 Ų | 2 | 23.1 Ų | 23.1 | 1% | 0.014 | 13% | 0.126 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.6 | 168.7 | -171.7 | -48.8 | 0 | 0 | 0 | 0 | 112.3 | S740 D757 R758 M759 | S740-C755 CarbonylContact O-C 3.37Å; S740-C755 VanDerWaalsContact O-CA 3.29Å; S740-C755 WeakPolarHBondContact O-CA 3.39Å; C755-D757 VanDerWaalsContact CB-OD1 3.3Å; C755-D757 WeakPolarHBondContact CB-OD1 3.35Å; C755-R758 WeakPolarHBondContact O-CA 3.37Å; C755-R758 PolarHBondContact O-N 2.91Å; C755-M759 PolarHBondContact N-O 2.97Å |
| 756 | D | 93.1 | Very high | 93 | Very high | 77 Ų | 77 | 27 Ų | 27 | 41% | 0.412 | 15% | 0.152 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -67.2 | -33.5 | -176.8 | 64.8 | -28.3 | 0 | 0 | 0 | 114.4 | S740 L742 R758 | S740-D756 PolarHBondContact N-OD1 2.81Å; S740-D756 PolarHBondContact O-N 2.96Å; L742-D756 HydrophobicContact CD1-CB 4.11Å; L742-D756 HydrophobicContact CD2-CB 4.34Å; L742-D756 HydrophobicContact CG-CB 4.12Å; D756-R758 PolarHBondContact O-N 3.26Å |
| 757 | D | 92.2 | Very high | 92.8 | Very high | 57 Ų | 57 | 27.3 Ų | 27.3 | 31% | 0.305 | 16% | 0.155 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -60.4 | -8.3 | 166.5 | 65.5 | 2.7 | 0 | 0 | 0 | 114.5 | S739 C755 M759 | S739-D757 WeakPolarHBondContact CB-OD2 3.48Å; S739-D757 PolarHBondContact OG-OD2 3.25Å; C755-D757 VanDerWaalsContact CB-OD1 3.3Å; C755-D757 WeakPolarHBondContact CB-OD1 3.35Å; D757-M759 WeakPolarHBondContact OD1-CB 3.21Å; D757-M759 WeakPolarHBondContact OD1-CG 3.48Å; D757-M759 PolarHBondContact OD1-N 2.89Å; D757-M759 WeakPolarHBondContact OD2-CG 3.24Å |
| 758 | R | 94.7 | Very high | 92.8 | Very high | 103 Ų | 103 | 34.7 Ų | 34.7 | 39% | 0.389 | 18% | 0.181 | S | C | . | . | S | Bend | trans | 76.1 | 22.3 | -174.3 | -44.2 | 162.6 | -72.6 | 174.4 | -6.1 | 114.2 | C755 D756 L776 A777 P779 | C755-R758 WeakPolarHBondContact O-CA 3.37Å; C755-R758 PolarHBondContact O-N 2.91Å; D756-R758 PolarHBondContact O-N 3.26Å; R758-L776 HydrophobicContact CB-CB 4.2Å; R758-L776 VanDerWaalsContact O-CB 3.29Å; R758-L776 WeakPolarHBondContact O-CB 3.24Å; R758-L776 WeakPolarHBondContact O-CG 3.48Å; R758-L776 PolarHBondContact O-N 3.23Å; R758-A777 PolarHBondContact NH1-O 2.86Å; R758-A777 VanDerWaalsContact NH1-O 3.11Å; R758-P779 HydrophobicContact CG-CB 4.48Å; R758-P779 HydrophobicContact CG-CG 4.07Å |
| 759 | M | 95.9 | Very high | 93.2 | Very high | 56 Ų | 56 | 36.9 Ų | 36.9 | 28% | 0.276 | 18% | 0.183 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.5 | 126.1 | 172 | -72.3 | -66.8 | -165.8 | 0 | 0 | 112 | A754 C755 D757 A773 Q775 | A754-M759 WeakPolarHBondContact CA-O 3.36Å; C755-M759 PolarHBondContact N-O 2.97Å; D757-M759 WeakPolarHBondContact OD1-CB 3.21Å; D757-M759 WeakPolarHBondContact OD1-CG 3.48Å; D757-M759 PolarHBondContact OD1-N 2.89Å; D757-M759 WeakPolarHBondContact OD2-CG 3.24Å; M759-A773 HydrophobicContact CB-CB 4.21Å; M759-A773 HydrophobicContact CG-CB 4.26Å; M759-A773 HydrophobicContact SD-CB 3.65Å; M759-Q775 HydrophobicContact SD-CB 4.41Å |
| 760 | L | 97.1 | Very high | 93.5 | Very high | 1 Ų | 1 | 35.3 Ų | 35.3 | 1% | 0.005 | 17% | 0.174 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.6 | 121.3 | 166.3 | 177.8 | 73.8 | 0 | 0 | 0 | 109.6 | A752 V753 A754 V762 A773 I774 L776 L783 V790 V792 W802 | A752-L760 HydrophobicContact CB-CD1 4.35Å; V753-L760 WeakPolarHBondContact O-CA 3.29Å; A754-L760 HydrophobicContact CB-CD1 4.23Å; L760-V762 HydrophobicContact CG-CG2 4.36Å; L760-A773 CarbonylContact O-C 3.49Å; L760-A773 WeakPolarHBondContact O-CA 3.5Å; L760-I774 HydrophobicContact CB-CB 4.23Å; L760-I774 HydrophobicContact CD2-CB 4.48Å; L760-I774 HydrophobicContact CD2-CD1 4.34Å; L760-I774 PolarHBondContact N-O 2.8Å; L760-I774 PolarHBondContact O-N 2.9Å; L760-L776 HydrophobicContact CB-CD1 4.35Å; L760-L776 HydrophobicContact CB-CD2 4.19Å; L760-L776 HydrophobicContact CB-CG 4.21Å; L760-L783 HydrophobicContact CD1-CD1 3.77Å; L760-L783 HydrophobicContact CD1-CD2 4.42Å; L760-V790 HydrophobicContact CD2-CG1 4.4Å; L760-V792 HydrophobicContact CD1-CG2 3.98Å; L760-V792 HydrophobicContact CD2-CG2 3.94Å; L760-W802 HydrophobicContact CD2-CE3 4.13Å; L760-W802 HydrophobicContact CD2-CH2 4.09Å; L760-W802 HydrophobicContact CD2-CZ3 3.66Å |
| 761 | S | 96.8 | Very high | 93.5 | Very high | 3 Ų | 3 | 36.3 Ų | 36.3 | 2% | 0.021 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109 | 139.4 | 172.1 | -70.7 | 0 | 0 | 0 | 0 | 110.6 | A752 V753 R769 | A752-S761 WeakPolarHBondContact CA-O 3.15Å; V753-S761 PolarHBondContact N-O 2.8Å; V753-S761 PolarHBondContact O-N 2.74Å; S761-R769 VanDerWaalsContact CB-NH1 3.32Å; S761-R769 PolarHBondContact OG-NH1 2.87Å; S761-R769 PolarHBondContact OG-NH2 3.34Å; S761-R769 VanDerWaalsContact OG-NH2 3.14Å |
| 762 | V | 96.8 | Very high | 93.4 | Very high | 1 Ų | 1 | 41.5 Ų | 41.5 | 1% | 0.006 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.3 | 134.7 | 178.2 | -169.5 | 0 | 0 | 0 | 0 | 110.6 | V750 L751 A752 L760 L770 V790 V804 | V750-V762 HydrophobicContact CB-CG1 4.41Å; L751-V762 CarbonylContact O-C 3.51Å; L751-V762 WeakPolarHBondContact O-CA 3.46Å; A752-V762 HydrophobicContact CB-CG2 4.26Å; L760-V762 HydrophobicContact CG-CG2 4.36Å; V762-L770 HydrophobicContact CG1-CD1 4.38Å; V762-L770 PolarHBondContact O-N 2.93Å; V762-V790 HydrophobicContact CG1-CG2 4.15Å; V762-V790 HydrophobicContact CG2-CG2 4.37Å; V762-V804 HydrophobicContact CG1-CG1 4.35Å; V762-V804 HydrophobicContact CG1-CG2 4.19Å |
| 763 | F | 95.2 | Very high | 93.2 | Very high | 3 Ų | 3 | 43.6 Ų | 43.6 | 1% | 0.013 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.6 | 158.2 | -175.7 | -56.3 | -94.9 | 0 | 0 | 0 | 110.5 | L724 W733 T735 L737 V750 L751 V753 R768 R769 | L724-F763 HydrophobicContact CD1-CD2 4.34Å; L724-F763 HydrophobicContact CD1-CE2 3.71Å; L724-F763 HydrophobicContact CD1-CZ 4.04Å; W733-F763 HydrophobicContact CH2-CB 4.46Å; W733-F763 HydrophobicContact CH2-CG 4.49Å; T735-F763 HydrophobicContact CG2-CE1 3.77Å; T735-F763 HydrophobicContact CG2-CZ 3.91Å; L737-F763 HydrophobicContact CD2-CZ 4.27Å; V750-F763 WeakPolarHBondContact CA-O 3.21Å; L751-F763 PolarHBondContact N-O 3.01Å; L751-F763 PolarHBondContact O-N 2.92Å; V753-F763 HydrophobicContact CG2-CE2 3.9Å; F763-R768 CarbonylContact C-O 3.57Å; F763-R768 WeakPolarHBondContact CA-O 3.46Å; F763-R769 HydrophobicContact CD1-CB 4.01Å; F763-R769 HydrophobicContact CE1-CB 4.04Å |
| 764 | S | 92 | Very high | 93.1 | Very high | 15 Ų | 15 | 45.5 Ų | 45.5 | 11% | 0.105 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -71.8 | 163.1 | 161.4 | 60.4 | 0 | 0 | 0 | 0 | 110.4 | S766 G767 R768 | S764-S766 PolarHBondContact O-N 2.88Å; S764-S766 PolarHBondContact OG-N 2.93Å; S764-S766 PolarHBondContact OG-OG 2.79Å; S764-G767 PolarHBondContact O-N 3.44Å; S764-G767 PolarHBondContact OG-N 2.66Å; S764-R768 PolarHBondContact N-O 2.99Å; S764-R768 PolarHBondContact OG-N 2.78Å; S764-R768 PolarHBondContact OG-O 2.8Å |
| 765 | C | 85.4 | Confident | 93 | Very high | 13 Ų | 13 | 50.3 Ų | 50.3 | 9% | 0.088 | 26% | 0.262 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -59.3 | -5.6 | 166.1 | -62.8 | 0 | 0 | 0 | 0 | 114.7 | R728 W733 S747 S748 D749 | R728-C765 VanDerWaalsContact NH1-CB 3.33Å; W733-C765 PolarHBondContact NE1-O 3.14Å; S747-C765 PolarHBondContact O-SG 3.04Å; S748-C765 PolarHBondContact O-SG 3.2Å; S748-C765 VanDerWaalsContact O-SG 3.38Å; D749-C765 PolarHBondContact O-N 2.92Å |
| 766 | S | 86.6 | Confident | 93 | Very high | 91 Ų | 91 | 50.4 Ų | 50.4 | 64% | 0.636 | 26% | 0.263 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -106.1 | 14.3 | 173.9 | 56.5 | 0 | 0 | 0 | 0 | 114 | S764 R768 | S764-S766 PolarHBondContact O-N 2.88Å; S764-S766 PolarHBondContact OG-N 2.93Å; S764-S766 PolarHBondContact OG-OG 2.79Å; S766-R768 VanDerWaalsContact C-N 3.29Å; S766-R768 PolarHBondContact O-N 3.39Å |
| 767 | G | 87.5 | Confident | 92.8 | Very high | 16 Ų | 16 | 49.7 Ų | 49.7 | 17% | 0.165 | 27% | 0.267 | C | S | . | . | S | Bend | trans | 81.2 | -3.3 | 172 | 0 | 0 | 0 | 0 | 0 | 116 | W733 S764 R769 | W733-G767 VanDerWaalsContact CE3-CA 3.45Å; W733-G767 VanDerWaalsContact CZ2-CA 3.48Å; S764-G767 PolarHBondContact O-N 3.44Å; S764-G767 PolarHBondContact OG-N 2.66Å; G767-R769 PolarHBondContact O-N 2.87Å |
| 768 | R | 91.4 | Very high | 92.9 | Very high | 164 Ų | 164 | 49 Ų | 49 | 62% | 0.619 | 27% | 0.265 | S | S | * | . | trans | -74.5 | 118 | 174.9 | -171.4 | 178.5 | 68.3 | 83.5 | -7.4 | 109.4 | F763 S764 S766 L770 | F763-R768 CarbonylContact C-O 3.57Å; F763-R768 WeakPolarHBondContact CA-O 3.46Å; S764-R768 PolarHBondContact N-O 2.99Å; S764-R768 PolarHBondContact OG-N 2.78Å; S764-R768 PolarHBondContact OG-O 2.8Å; S766-R768 VanDerWaalsContact C-N 3.29Å; S766-R768 PolarHBondContact O-N 3.39Å; R768-L770 PolarHBondContact O-N 2.81Å | ||
| 769 | R | 92.8 | Very high | 92.9 | Very high | 92 Ų | 92 | 46.1 Ų | 46.1 | 35% | 0.347 | 26% | 0.26 | S | S | . | . | B | Isolated β-bridge | trans | -53.8 | 123.5 | 168.2 | 179.6 | 175.1 | -72.3 | -84.8 | 1.6 | 109.6 | S761 F763 G767 L771 | S761-R769 VanDerWaalsContact CB-NH1 3.32Å; S761-R769 PolarHBondContact OG-NH1 2.87Å; S761-R769 PolarHBondContact OG-NH2 3.34Å; S761-R769 VanDerWaalsContact OG-NH2 3.14Å; F763-R769 HydrophobicContact CD1-CB 4.01Å; F763-R769 HydrophobicContact CE1-CB 4.04Å; G767-R769 PolarHBondContact O-N 2.87Å; R769-L771 WeakPolarHBondContact CD-O 3.43Å; R769-L771 WeakPolarHBondContact CG-O 3.27Å |
| 770 | L | 92.8 | Very high | 92.9 | Very high | 37 Ų | 37 | 43.5 Ų | 43.5 | 19% | 0.194 | 25% | 0.247 | C | C | . | . | trans | -89.9 | -30.1 | -175.9 | -66.1 | -179.7 | 0 | 0 | 0 | 112.8 | V750 V762 R768 V804 | V750-L770 HydrophobicContact CB-CD1 4.48Å; V750-L770 HydrophobicContact CG1-CD1 3.82Å; V762-L770 HydrophobicContact CG1-CD1 4.38Å; V762-L770 PolarHBondContact O-N 2.93Å; R768-L770 PolarHBondContact O-N 2.81Å; L770-V804 HydrophobicContact CD1-CG2 4.39Å | ||
| 771 | L | 92.4 | Very high | 92.8 | Very high | 27 Ų | 27 | 44.4 Ų | 44.4 | 14% | 0.141 | 25% | 0.254 | C | S | . | . | S | Bend | trans | -138.5 | 152.9 | -175.5 | -64.1 | 173.2 | 0 | 0 | 0 | 110.7 | R769 I774 V804 Q807 | R769-L771 WeakPolarHBondContact CD-O 3.43Å; R769-L771 WeakPolarHBondContact CG-O 3.27Å; L771-I774 HydrophobicContact CD1-CD1 4.07Å; L771-V804 HydrophobicContact CD1-CB 4.14Å; L771-V804 HydrophobicContact CD1-CG1 3.84Å; L771-Q807 HydrophobicContact CD2-CG 4.05Å |
| 772 | P | 93.5 | Very high | 92.6 | Very high | 111 Ų | 111 | 45.5 Ų | 45.5 | 72% | 0.721 | 26% | 0.263 | S | S | * | . | P | Polyproline II helix | trans | -51.4 | 154.7 | 157.4 | -22.3 | 34.1 | 0 | 0 | 0 | 110.8 | I774 | P772-I774 PolarHBondContact O-N 3.16Š|
| 773 | A | 92.3 | Very high | 92.6 | Very high | 44 Ų | 44 | 46.2 Ų | 46.2 | 36% | 0.364 | 27% | 0.267 | S | S | . | . | P | Polyproline II helix | trans | -63.4 | 129.6 | 179 | 0 | 0 | 0 | 0 | 0 | 110.9 | M759 L760 | M759-A773 HydrophobicContact CB-CB 4.21Å; M759-A773 HydrophobicContact CG-CB 4.26Å; M759-A773 HydrophobicContact SD-CB 3.65Å; L760-A773 CarbonylContact O-C 3.49Å; L760-A773 WeakPolarHBondContact O-CA 3.5Å |
| 774 | I | 95.2 | Very high | 92.6 | Very high | 41 Ų | 41 | 48.1 Ų | 48.1 | 21% | 0.21 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.6 | 118.5 | -178.9 | -65 | 162.7 | 0 | 0 | 0 | 108.4 | L760 L771 P772 L776 W802 | L760-I774 HydrophobicContact CB-CB 4.23Å; L760-I774 HydrophobicContact CD2-CB 4.48Å; L760-I774 HydrophobicContact CD2-CD1 4.34Å; L760-I774 PolarHBondContact N-O 2.8Å; L760-I774 PolarHBondContact O-N 2.9Å; L771-I774 HydrophobicContact CD1-CD1 4.07Å; P772-I774 PolarHBondContact O-N 3.16Å; I774-L776 PolarHBondContact O-N 3.29Å; I774-W802 HydrophobicContact CG2-CZ2 4.06Å |
| 775 | Q | 95.5 | Very high | 92.8 | Very high | 102 Ų | 102 | 48.4 Ų | 48.4 | 48% | 0.477 | 28% | 0.277 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.5 | 115.5 | 175.4 | -176.6 | 67.2 | 71.8 | 0 | 0 | 110.7 | M759 | M759-Q775 HydrophobicContact SD-CB 4.41Å |
| 776 | L | 94.8 | Very high | 93.1 | Very high | 5 Ų | 5 | 48.9 Ų | 48.9 | 3% | 0.026 | 28% | 0.28 | C | S | . | . | trans | -81.3 | 143.7 | 169.9 | -53.6 | 175.5 | 0 | 0 | 0 | 110 | A754 R758 L760 I774 T778 V780 V792 W802 | A754-L776 HydrophobicContact CB-CD1 4.45Å; R758-L776 HydrophobicContact CB-CB 4.2Å; R758-L776 VanDerWaalsContact O-CB 3.29Å; R758-L776 WeakPolarHBondContact O-CB 3.24Å; R758-L776 WeakPolarHBondContact O-CG 3.48Å; R758-L776 PolarHBondContact O-N 3.23Å; L760-L776 HydrophobicContact CB-CD1 4.35Å; L760-L776 HydrophobicContact CB-CD2 4.19Å; L760-L776 HydrophobicContact CB-CG 4.21Å; I774-L776 PolarHBondContact O-N 3.29Å; L776-T778 WeakPolarHBondContact CB-O 3.46Å; L776-V780 HydrophobicContact CD1-CB 4.45Å; L776-V792 HydrophobicContact CD1-CG1 4Å; L776-V792 HydrophobicContact CD2-CG1 4.04Å; L776-V792 HydrophobicContact CD2-CG2 4.44Å; L776-W802 HydrophobicContact CD2-CH2 4.02Å | ||
| 777 | A | 88.9 | Confident | 93.3 | Very high | 61 Ų | 61 | 45.7 Ų | 45.7 | 50% | 0.504 | 26% | 0.26 | S | S | . | . | S | Bend | trans | -66.5 | -42.5 | -178.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | R758 | R758-A777 PolarHBondContact NH1-O 2.86Å; R758-A777 VanDerWaalsContact NH1-O 3.11Å |
| 778 | T | 93.4 | Very high | 93.6 | Very high | 43 Ų | 43 | 46.7 Ų | 46.7 | 26% | 0.264 | 26% | 0.26 | S | S | . | . | S | Bend | trans | -129.3 | 165 | 173.4 | 73.4 | 0 | 0 | 0 | 0 | 109.3 | L776 T794 A795 G796 | L776-T778 WeakPolarHBondContact CB-O 3.46Å; T778-T794 WeakPolarHBondContact OG1-CB 3.41Å; T778-T794 PolarHBondContact OG1-OG1 3.19Å; T778-A795 PolarHBondContact OG1-N 3.26Å; T778-G796 PolarHBondContact OG1-N 2.95Å |
| 779 | P | 94.4 | Very high | 93.9 | Very high | 43 Ų | 43 | 39.6 Ų | 39.6 | 28% | 0.279 | 23% | 0.234 | S | C | . | . | trans | -53.7 | 155.8 | 179.8 | -27.1 | 36.1 | 0 | 0 | 0 | 113.6 | T688 R758 T794 A795 | T688-P779 HydrophobicContact CG2-CB 3.96Å; R758-P779 HydrophobicContact CG-CB 4.48Å; R758-P779 HydrophobicContact CG-CG 4.07Å; P779-T794 CarbonylContact O-C 3.52Å; P779-T794 WeakPolarHBondContact O-CA 3.37Å; P779-A795 HydrophobicContact CB-CB 4.47Å; P779-A795 WeakPolarHBondContact O-CB 3.3Å; P779-A795 PolarHBondContact O-N 2.94Å | ||
| 780 | V | 96 | Very high | 94.1 | Very high | 1 Ų | 1 | 35.2 Ų | 35.2 | 1% | 0.006 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -60.9 | 145.9 | 173.3 | 65.6 | 0 | 0 | 0 | 0 | 110.8 | T688 P689 L742 A743 A754 L776 L783 | T688-V780 WeakPolarHBondContact CG2-O 3.44Å; P689-V780 VanDerWaalsContact CD-O 3.31Å; P689-V780 WeakPolarHBondContact CD-O 3.35Å; L742-V780 HydrophobicContact CB-CG1 3.96Å; L742-V780 HydrophobicContact CD1-CG1 4.44Å; A743-V780 HydrophobicContact CB-CG1 3.88Å; A743-V780 HydrophobicContact CB-CG2 4.04Å; A754-V780 HydrophobicContact CB-CB 3.78Å; A754-V780 HydrophobicContact CB-CG1 3.83Å; A754-V780 HydrophobicContact CB-CG2 3.99Å; L776-V780 HydrophobicContact CD1-CB 4.45Å; V780-L783 HydrophobicContact CG2-CB 4.17Å |
| 781 | S | 94.5 | Very high | 94.3 | Very high | 20 Ų | 20 | 33.5 Ų | 33.5 | 14% | 0.14 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.8 | -49.1 | 167.2 | 178.7 | 0 | 0 | 0 | 0 | 110.6 | L686 P687 L793 | L686-S781 WeakPolarHBondContact CB-OG 3.37Å; P687-S781 VanDerWaalsContact O-CA 3.31Å; P687-S781 WeakPolarHBondContact O-CA 3.36Å; P687-S781 VanDerWaalsContact O-CB 3.27Å; P687-S781 WeakPolarHBondContact O-CB 3.5Å; P687-S781 PolarHBondContact O-OG 3.26Å; S781-L793 PolarHBondContact N-O 3.41Å |
| 782 | A | 94.1 | Very high | 94.5 | Very high | 26 Ų | 26 | 32.2 Ų | 32.2 | 22% | 0.215 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.9 | 153.7 | 169.8 | 0 | 0 | 0 | 0 | 0 | 110.9 | L793 | A782-L793 HydrophobicContact CB-CB 4.19Å; A782-L793 HydrophobicContact CB-CD1 4.21Å; A782-L793 PolarHBondContact N-O 3.05Å; A782-L793 PolarHBondContact O-N 3.39Å |
| 783 | L | 96.2 | Very high | 94.6 | Very high | 16 Ų | 16 | 27.1 Ų | 27.1 | 8% | 0.084 | 17% | 0.168 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.1 | 131.7 | -176.2 | 174.9 | 64.9 | 0 | 0 | 0 | 107.9 | A743 A745 A752 A754 L760 V780 V790 M791 V792 | A743-L783 HydrophobicContact CB-CB 4.22Å; A743-L783 HydrophobicContact CB-CD2 4.35Å; A745-L783 HydrophobicContact CB-CD2 4.36Å; A745-L783 HydrophobicContact CB-CG 3.89Å; A745-L783 WeakPolarHBondContact CB-O 3.33Å; A752-L783 HydrophobicContact CB-CD1 4.05Å; A752-L783 HydrophobicContact CB-CD2 4.24Å; A752-L783 HydrophobicContact CB-CG 4.48Å; A752-L783 WeakPolarHBondContact O-CD2 3.12Å; A754-L783 HydrophobicContact CB-CD2 4.29Å; L760-L783 HydrophobicContact CD1-CD1 3.77Å; L760-L783 HydrophobicContact CD1-CD2 4.42Å; V780-L783 HydrophobicContact CG2-CB 4.17Å; L783-V790 HydrophobicContact CD1-CG1 3.97Å; L783-M791 WeakPolarHBondContact CA-O 3.28Å; L783-V792 HydrophobicContact CD1-CG2 3.54Å |
| 784 | H | 95.8 | Very high | 94.7 | Very high | 43 Ų | 43 | 25.1 Ų | 25.1 | 20% | 0.199 | 15% | 0.151 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.5 | 151.7 | -177.5 | -49 | -109.7 | 0 | 0 | 0 | 109.9 | M791 S830 L832 | H784-M791 HydrophobicContact CB-CB 4.38Å; H784-M791 HydrophobicContact CB-CE 4.09Å; H784-M791 WeakPolarHBondContact CD2-CE 3.38Å; H784-M791 PolarHBondContact N-O 2.91Å; H784-M791 PolarHBondContact O-N 3.28Å; H784-S830 PolarHBondContact CE1-O 3.05Å; H784-S830 VanDerWaalsContact CE1-O 3.29Å; H784-S830 PolarHBondContact CE1-OG 3.36Å; H784-S830 PolarHBondContact NE2-OG 3.29Å; H784-L832 HydrophobicContact CB-CB 4.45Å |
| 785 | C | 94.6 | Very high | 94.5 | Very high | 21 Ų | 21 | 23.7 Ų | 23.7 | 14% | 0.142 | 15% | 0.146 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.5 | 146 | 172.7 | -69.6 | 0 | 0 | 0 | 0 | 109.1 | A745 G746 A752 F789 | A745-C785 HydrophobicContact CB-CB 4.45Å; G746-C785 VanDerWaalsContact C-CB 3.46Å; G746-C785 WeakPolarHBondContact O-CB 3.19Å; A752-C785 VanDerWaalsContact CB-SG 3.6Å; C785-F789 VanDerWaalsContact CA-O 3.29Å; C785-F789 WeakPolarHBondContact CA-O 3.34Å |
| 786 | S | 93 | Very high | 94.2 | Very high | 22 Ų | 22 | 20 Ų | 20 | 15% | 0.154 | 14% | 0.135 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -156.1 | 118.4 | 179.6 | -161.9 | 0 | 0 | 0 | 0 | 108 | H788 F789 L832 T833 Q834 | S786-H788 PolarHBondContact O-N 3.45Å; S786-F789 PolarHBondContact N-O 3.11Å; S786-F789 WeakPolarHBondContact O-CB 3.24Å; S786-F789 WeakPolarHBondContact O-CD2 3.37Å; S786-F789 PolarHBondContact O-N 3.2Å; S786-L832 WeakPolarHBondContact CB-O 3.37Å; S786-L832 PolarHBondContact OG-O 3.1Å; S786-T833 PolarHBondContact OG-O 2.75Å; S786-Q834 PolarHBondContact OG-N 3.34Å |
| 787 | A | 90.7 | Very high | 94 | Very high | 25 Ų | 25 | 19.8 Ų | 19.8 | 21% | 0.207 | 13% | 0.134 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 45.5 | -126.1 | -161.8 | 0 | 0 | 0 | 0 | 0 | 110.9 | S747 D749 | S747-A787 WeakPolarHBondContact CB-O 3.09Å; S747-A787 PolarHBondContact OG-O 3.39Å; D749-A787 VanDerWaalsContact OD2-CA 3.24Å; D749-A787 WeakPolarHBondContact OD2-CA 3.32Å |
| 788 | H | 93.7 | Very high | 94.2 | Very high | 36 Ų | 36 | 18 Ų | 18 | 17% | 0.167 | 12% | 0.117 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -92.8 | 17 | 176 | 52.5 | -90.6 | 0 | 0 | 0 | 114.5 | D749 S786 D803 V804 Q805 | D749-H788 PolarHBondContact OD2-N 2.94Å; S786-H788 PolarHBondContact O-N 3.45Å; H788-D803 IonicContact CD2-OD1 3.19Å; H788-D803 PolarHBondContact CD2-OD1 3.2Å; H788-V804 WeakPolarHBondContact O-CG2 3.35Å; H788-V804 PolarHBondContact O-N 3.04Å; H788-V804 VanDerWaalsContact O-N 3.07Å; H788-Q805 HydrophobicContact CB-CB 3.82Å; H788-Q805 PolarHBondContact CE1-OE1 2.9Å; H788-Q805 PolarHBondContact ND1-OE1 2.98Å |
| 789 | F | 96.3 | Very high | 94.3 | Very high | 16 Ų | 16 | 16 Ų | 16 | 7% | 0.07 | 11% | 0.105 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.2 | 135.2 | 176.1 | -55.1 | -72.2 | 0 | 0 | 0 | 111.3 | C785 S786 W802 D803 L810 L832 Q834 G836 | C785-F789 VanDerWaalsContact CA-O 3.29Å; C785-F789 WeakPolarHBondContact CA-O 3.34Å; S786-F789 PolarHBondContact N-O 3.11Å; S786-F789 WeakPolarHBondContact O-CB 3.24Å; S786-F789 WeakPolarHBondContact O-CD2 3.37Å; S786-F789 PolarHBondContact O-N 3.2Å; F789-W802 WeakPolarHBondContact CA-O 3.41Å; F789-D803 HydrophobicContact CD1-CB 3.91Å; F789-D803 HydrophobicContact CE1-CB 3.72Å; F789-L810 HydrophobicContact CD1-CD1 3.71Å; F789-L810 HydrophobicContact CE1-CD1 3.67Å; F789-L832 HydrophobicContact CB-CD2 3.86Å; F789-L832 HydrophobicContact CB-CG 4.49Å; F789-Q834 VanDerWaalsContact CE2-O 3.28Å; F789-Q834 WeakPolarHBondContact CE2-O 3.26Å; F789-G836 VanDerWaalsContact CG-CA 3.48Å |
| 790 | V | 97.4 | Very high | 94.5 | Very high | 0 Ų | 0 | 14 Ų | 14 | 0% | 0 | 9% | 0.092 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.4 | 126.9 | 174.9 | -177.8 | 0 | 0 | 0 | 0 | 108.8 | V750 A752 L760 V762 L783 V801 W802 V804 | V750-V790 HydrophobicContact CG2-CG2 4.19Å; A752-V790 HydrophobicContact CB-CG1 3.72Å; A752-V790 HydrophobicContact CB-CG2 4.25Å; L760-V790 HydrophobicContact CD2-CG1 4.4Å; V762-V790 HydrophobicContact CG1-CG2 4.15Å; V762-V790 HydrophobicContact CG2-CG2 4.37Å; L783-V790 HydrophobicContact CD1-CG1 3.97Å; V790-V801 CarbonylContact O-C 3.47Å; V790-V801 WeakPolarHBondContact O-CA 3.39Å; V790-W802 PolarHBondContact N-O 3.45Å; V790-W802 PolarHBondContact O-N 2.89Å; V790-V804 HydrophobicContact CB-CG1 4.42Å; V790-V804 HydrophobicContact CG2-CG1 3.87Å; V790-V804 HydrophobicContact CG2-CG2 4.33Å |
| 791 | M | 97.4 | Very high | 94.5 | Very high | 0 Ų | 0 | 14 Ų | 14 | 0% | 0 | 9% | 0.092 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.5 | 131.8 | 175.8 | 177.4 | 175.9 | 82.4 | 0 | 0 | 110.9 | L783 H784 L799 S800 V801 L831 L832 P838 | L783-M791 WeakPolarHBondContact CA-O 3.28Å; H784-M791 HydrophobicContact CB-CB 4.38Å; H784-M791 HydrophobicContact CB-CE 4.09Å; H784-M791 WeakPolarHBondContact CD2-CE 3.38Å; H784-M791 PolarHBondContact N-O 2.91Å; H784-M791 PolarHBondContact O-N 3.28Å; M791-L799 HydrophobicContact CG-CD1 4.25Å; M791-L799 HydrophobicContact CG-CG 4.29Å; M791-L799 HydrophobicContact SD-CD1 3.76Å; M791-L799 HydrophobicContact SD-CG 4.37Å; M791-S800 CarbonylContact C-O 3.58Å; M791-S800 WeakPolarHBondContact CA-O 3.49Å; M791-V801 HydrophobicContact CB-CG2 4.1Å; M791-V801 HydrophobicContact CG-CG2 3.95Å; M791-V801 HydrophobicContact SD-CG2 4.37Å; M791-L831 WeakPolarHBondContact CE-O 3.26Å; M791-L832 HydrophobicContact CB-CB 4.4Å; M791-L832 HydrophobicContact CB-CD1 4.08Å; M791-L832 HydrophobicContact CB-CD2 3.77Å; M791-L832 HydrophobicContact CB-CG 4.31Å; M791-L832 HydrophobicContact CE-CB 4.3Å; M791-L832 HydrophobicContact SD-CB 4.35Å; M791-L832 HydrophobicContact SD-CD1 4.27Å; M791-P838 HydrophobicContact SD-CB 3.46Å; M791-P838 WeakPolarHBondContact SD-CB 3.13Å |
| 792 | V | 97.3 | Very high | 94.6 | Very high | 1 Ų | 1 | 14.9 Ų | 14.9 | 1% | 0.006 | 9% | 0.092 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118 | 132.2 | 171.6 | 168.9 | 0 | 0 | 0 | 0 | 110.1 | L760 L776 L783 T794 L799 S800 W802 | L760-V792 HydrophobicContact CD1-CG2 3.98Å; L760-V792 HydrophobicContact CD2-CG2 3.94Å; L776-V792 HydrophobicContact CD1-CG1 4Å; L776-V792 HydrophobicContact CD2-CG1 4.04Å; L776-V792 HydrophobicContact CD2-CG2 4.44Å; L783-V792 HydrophobicContact CD1-CG2 3.54Å; V792-T794 HydrophobicContact CG1-CG2 3.78Å; V792-L799 WeakPolarHBondContact O-CA 3.29Å; V792-S800 PolarHBondContact N-O 3.36Å; V792-S800 PolarHBondContact O-N 2.91Å; V792-W802 HydrophobicContact CB-CH2 4.36Å; V792-W802 HydrophobicContact CB-CZ3 3.94Å; V792-W802 HydrophobicContact CG2-CH2 4.47Å; V792-W802 HydrophobicContact CG2-CZ3 3.85Å |
| 793 | L | 95.5 | Very high | 94.7 | Very high | 3 Ų | 3 | 13.9 Ų | 13.9 | 2% | 0.016 | 8% | 0.083 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.8 | 128.6 | 158.3 | -80.6 | 165.3 | 0 | 0 | 0 | 108.6 | L686 S781 A782 T798 L799 L816 I840 | L686-L793 HydrophobicContact CD1-CB 4.37Å; L686-L793 HydrophobicContact CD1-CD2 4.14Å; S781-L793 PolarHBondContact N-O 3.41Å; A782-L793 HydrophobicContact CB-CB 4.19Å; A782-L793 HydrophobicContact CB-CD1 4.21Å; A782-L793 PolarHBondContact N-O 3.05Å; A782-L793 PolarHBondContact O-N 3.39Å; L793-T798 WeakPolarHBondContact CA-O 3.24Å; L793-L799 HydrophobicContact CD2-CB 3.94Å; L793-L799 HydrophobicContact CD2-CD1 3.81Å; L793-L799 HydrophobicContact CD2-CG 4.25Å; L793-L799 HydrophobicContact CG-CD1 4.18Å; L793-L816 HydrophobicContact CD2-CD1 3.76Å; L793-L816 HydrophobicContact CD2-CD2 4.41Å; L793-L816 HydrophobicContact CD2-CG 4.3Å; L793-I840 HydrophobicContact CD1-CD1 3.89Å; L793-I840 HydrophobicContact CD2-CD1 4.16Å; L793-I840 HydrophobicContact CG-CD1 4.5Å |
| 794 | T | 94.8 | Very high | 94.6 | Very high | 2 Ų | 2 | 13.5 Ų | 13.5 | 1% | 0.012 | 8% | 0.081 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101 | 157.4 | 178.4 | 81.1 | 0 | 0 | 0 | 0 | 112.1 | T778 P779 V792 G796 A797 T798 | T778-T794 WeakPolarHBondContact OG1-CB 3.41Å; T778-T794 PolarHBondContact OG1-OG1 3.19Å; P779-T794 CarbonylContact O-C 3.52Å; P779-T794 WeakPolarHBondContact O-CA 3.37Å; V792-T794 HydrophobicContact CG1-CG2 3.78Å; T794-G796 PolarHBondContact O-N 2.94Å; T794-G796 VanDerWaalsContact O-N 3.16Å; T794-A797 PolarHBondContact O-N 3.31Å; T794-T798 PolarHBondContact N-O 3.2Å; T794-T798 PolarHBondContact OG1-OG1 3.39Å |
| 795 | A | 91.1 | Very high | 94.5 | Very high | 11 Ų | 11 | 18.1 Ų | 18.1 | 9% | 0.091 | 10% | 0.103 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -58.8 | -25.5 | 178.6 | 0 | 0 | 0 | 0 | 0 | 113 | R685 L686 T688 T778 P779 A797 | R685-A795 CarbonylContact C-O 3.59Å; R685-A795 WeakPolarHBondContact CA-O 3.49Å; L686-A795 PolarHBondContact N-O 3.48Å; T688-A795 WeakPolarHBondContact OG1-CB 3.4Å; T778-A795 PolarHBondContact OG1-N 3.26Å; P779-A795 HydrophobicContact CB-CB 4.47Å; P779-A795 WeakPolarHBondContact O-CB 3.3Å; P779-A795 PolarHBondContact O-N 2.94Å; A795-A797 PolarHBondContact O-N 2.81Å |
| 796 | G | 88.9 | Confident | 94.3 | Very high | 25 Ų | 25 | 26.6 Ų | 26.6 | 26% | 0.258 | 13% | 0.132 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -78 | 15.5 | 171.1 | 0 | 0 | 0 | 0 | 0 | 115 | T778 T794 T798 | T778-G796 PolarHBondContact OG1-N 2.95Å; T794-G796 PolarHBondContact O-N 2.94Å; T794-G796 VanDerWaalsContact O-N 3.16Å; G796-T798 VanDerWaalsContact C-N 3.3Å; G796-T798 PolarHBondContact O-N 2.78Å |
| 797 | A | 90.3 | Very high | 94.3 | Very high | 0 Ų | 0 | 32.1 Ų | 32.1 | 0% | 0 | 16% | 0.156 | C | C | . | . | S | Bend | trans | 57.1 | 37.5 | -179.6 | 0 | 0 | 0 | 0 | 0 | 114.2 | L684 L686 T794 A795 L816 | L684-A797 HydrophobicContact CD2-CB 3.72Å; L686-A797 HydrophobicContact CD1-CB 4.47Å; L686-A797 HydrophobicContact CG-CB 4.12Å; T794-A797 PolarHBondContact O-N 3.31Å; A795-A797 PolarHBondContact O-N 2.81Å; A797-L816 PolarHBondContact O-N 3.45Å |
| 798 | T | 93.3 | Very high | 94.4 | Very high | 25 Ų | 25 | 37.1 Ų | 37.1 | 15% | 0.153 | 17% | 0.172 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.3 | 149.1 | 169 | 66.4 | 0 | 0 | 0 | 0 | 111.9 | L793 T794 G796 E814 | L793-T798 WeakPolarHBondContact CA-O 3.24Å; T794-T798 PolarHBondContact N-O 3.2Å; T794-T798 PolarHBondContact OG1-OG1 3.39Å; G796-T798 VanDerWaalsContact C-N 3.3Å; G796-T798 PolarHBondContact O-N 2.78Å; T798-E814 CarbonylContact C-O 3.46Å; T798-E814 VanDerWaalsContact CA-O 3.24Å; T798-E814 WeakPolarHBondContact CA-O 3.44Å |
| 799 | L | 95.8 | Very high | 94.3 | Very high | 0 Ų | 0 | 37.3 Ų | 37.3 | 0% | 0 | 18% | 0.181 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.4 | 139.3 | 178.1 | -176.2 | 142.3 | 0 | 0 | 0 | 110.6 | M791 V792 L793 V801 V811 N813 E814 L816 P838 I840 W857 | M791-L799 HydrophobicContact CG-CD1 4.25Å; M791-L799 HydrophobicContact CG-CG 4.29Å; M791-L799 HydrophobicContact SD-CD1 3.76Å; M791-L799 HydrophobicContact SD-CG 4.37Å; V792-L799 WeakPolarHBondContact O-CA 3.29Å; L793-L799 HydrophobicContact CD2-CB 3.94Å; L793-L799 HydrophobicContact CD2-CD1 3.81Å; L793-L799 HydrophobicContact CD2-CG 4.25Å; L793-L799 HydrophobicContact CG-CD1 4.18Å; L799-V801 HydrophobicContact CD2-CG2 3.82Å; L799-V811 HydrophobicContact CD2-CB 4.19Å; L799-V811 HydrophobicContact CD2-CG1 3.7Å; L799-N813 CarbonylContact O-C 3.55Å; L799-N813 WeakPolarHBondContact O-CA 3.26Å; L799-N813 PolarHBondContact O-N 3.42Å; L799-E814 PolarHBondContact N-O 3.38Å; L799-E814 PolarHBondContact O-N 3.43Å; L799-L816 HydrophobicContact CB-CD2 4.26Å; L799-P838 HydrophobicContact CD1-CB 4.01Å; L799-P838 HydrophobicContact CD2-CB 3.87Å; L799-P838 HydrophobicContact CD2-CG 3.88Å; L799-I840 HydrophobicContact CD1-CD1 3.87Å; L799-I840 HydrophobicContact CD1-CG1 4.12Å; L799-W857 HydrophobicContact CD1-CH2 4.28Å |
| 800 | S | 96.9 | Very high | 94.1 | Very high | 2 Ų | 2 | 38.4 Ų | 38.4 | 1% | 0.014 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135 | 146.3 | 169.2 | -65.2 | 0 | 0 | 0 | 0 | 110.6 | M791 V792 V811 N813 | M791-S800 CarbonylContact C-O 3.58Å; M791-S800 WeakPolarHBondContact CA-O 3.49Å; V792-S800 PolarHBondContact N-O 3.36Å; V792-S800 PolarHBondContact O-N 2.91Å; S800-V811 CarbonylContact C-O 3.46Å; S800-V811 VanDerWaalsContact CA-O 3.3Å; S800-V811 WeakPolarHBondContact CA-O 3.46Å; S800-N813 PolarHBondContact OG-N 3.01Å; S800-N813 PolarHBondContact OG-OD1 3.31Å |
| 801 | V | 97.6 | Very high | 94 | Very high | 0 Ų | 0 | 38.6 Ų | 38.6 | 0% | 0 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.2 | 131.3 | 174.5 | -174.6 | 0 | 0 | 0 | 0 | 109.2 | V790 M791 L799 L810 V811 L832 P838 | V790-V801 CarbonylContact O-C 3.47Å; V790-V801 WeakPolarHBondContact O-CA 3.39Å; M791-V801 HydrophobicContact CB-CG2 4.1Å; M791-V801 HydrophobicContact CG-CG2 3.95Å; M791-V801 HydrophobicContact SD-CG2 4.37Å; L799-V801 HydrophobicContact CD2-CG2 3.82Å; V801-L810 HydrophobicContact CB-CB 4.32Å; V801-L810 HydrophobicContact CG1-CB 4.35Å; V801-L810 HydrophobicContact CG1-CD1 4.28Å; V801-L810 PolarHBondContact O-N 3.13Å; V801-V811 HydrophobicContact CB-CB 4.04Å; V801-V811 HydrophobicContact CB-CG2 4.09Å; V801-V811 HydrophobicContact CG2-CB 4.04Å; V801-V811 HydrophobicContact CG2-CG2 4.01Å; V801-V811 PolarHBondContact N-O 2.64Å; V801-V811 PolarHBondContact O-N 2.96Å; V801-L832 HydrophobicContact CG1-CD1 4Å; V801-L832 HydrophobicContact CG2-CD1 4.32Å; V801-P838 HydrophobicContact CG2-CB 3.93Å; V801-P838 HydrophobicContact CG2-CG 3.97Å |
| 802 | W | 96.9 | Very high | 93.7 | Very high | 39 Ų | 39 | 45.9 Ų | 45.9 | 15% | 0.148 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.9 | 130.6 | 176 | -58.4 | -89.6 | 0 | 0 | 0 | 111.2 | L760 I774 L776 F789 V790 V792 V804 | L760-W802 HydrophobicContact CD2-CE3 4.13Å; L760-W802 HydrophobicContact CD2-CH2 4.09Å; L760-W802 HydrophobicContact CD2-CZ3 3.66Å; I774-W802 HydrophobicContact CG2-CZ2 4.06Å; L776-W802 HydrophobicContact CD2-CH2 4.02Å; F789-W802 WeakPolarHBondContact CA-O 3.41Å; V790-W802 PolarHBondContact N-O 3.45Å; V790-W802 PolarHBondContact O-N 2.89Å; V792-W802 HydrophobicContact CB-CH2 4.36Å; V792-W802 HydrophobicContact CB-CZ3 3.94Å; V792-W802 HydrophobicContact CG2-CH2 4.47Å; V792-W802 HydrophobicContact CG2-CZ3 3.85Å; W802-V804 HydrophobicContact CB-CG1 4.09Å; W802-V804 PolarHBondContact O-N 2.94Å |
| 803 | D | 95.5 | Very high | 93.2 | Very high | 5 Ų | 5 | 49.6 Ų | 49.6 | 3% | 0.027 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -77.6 | 103.6 | 157.9 | 179.4 | -21.9 | 0 | 0 | 0 | 107.4 | H788 F789 Q805 R806 Q807 K808 L810 | H788-D803 IonicContact CD2-OD1 3.19Å; H788-D803 PolarHBondContact CD2-OD1 3.2Å; F789-D803 HydrophobicContact CD1-CB 3.91Å; F789-D803 HydrophobicContact CE1-CB 3.72Å; D803-Q805 VanDerWaalsContact C-N 3.35Å; D803-Q805 PolarHBondContact OD1-N 3.4Å; D803-Q805 VanDerWaalsContact OD1-N 3.08Å; D803-R806 PolarHBondContact OD1-N 3.38Å; D803-R806 WeakPolarHBondContact OD2-CB 3.31Å; D803-R806 WeakPolarHBondContact OD2-CD 3.38Å; D803-R806 WeakPolarHBondContact OD2-CG 3.41Å; D803-R806 IonicContact OD2-NE 3.62Å; D803-Q807 CarbonylContact O-C 3.53Å; D803-Q807 VanDerWaalsContact O-CA 3.27Å; D803-Q807 WeakPolarHBondContact O-CA 3.45Å; D803-Q807 PolarHBondContact O-N 2.74Å; D803-K808 PolarHBondContact N-O 3.06Å; D803-K808 PolarHBondContact O-N 3.4Å; D803-L810 HydrophobicContact CB-CD1 4.49Å; D803-L810 HydrophobicContact CB-CD2 4.32Å; D803-L810 HydrophobicContact CB-CG 4.25Å |
| 804 | V | 94.5 | Very high | 93.1 | Very high | 8 Ų | 8 | 52.7 Ų | 52.7 | 5% | 0.048 | 25% | 0.254 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -86.4 | -8.3 | -177.2 | -55.2 | 0 | 0 | 0 | 0 | 113 | V750 V762 L770 L771 H788 V790 W802 | V750-V804 HydrophobicContact CB-CG2 4.38Å; V750-V804 HydrophobicContact CG1-CG2 3.77Å; V750-V804 HydrophobicContact CG2-CG2 4.41Å; V762-V804 HydrophobicContact CG1-CG1 4.35Å; V762-V804 HydrophobicContact CG1-CG2 4.19Å; L770-V804 HydrophobicContact CD1-CG2 4.39Å; L771-V804 HydrophobicContact CD1-CB 4.14Å; L771-V804 HydrophobicContact CD1-CG1 3.84Å; H788-V804 WeakPolarHBondContact O-CG2 3.35Å; H788-V804 PolarHBondContact O-N 3.04Å; H788-V804 VanDerWaalsContact O-N 3.07Å; V790-V804 HydrophobicContact CB-CG1 4.42Å; V790-V804 HydrophobicContact CG2-CG1 3.87Å; V790-V804 HydrophobicContact CG2-CG2 4.33Å; W802-V804 HydrophobicContact CB-CG1 4.09Å; W802-V804 PolarHBondContact O-N 2.94Å |
| 805 | Q | 92.3 | Very high | 92.9 | Very high | 140 Ų | 140 | 54.6 Ų | 54.6 | 65% | 0.654 | 27% | 0.267 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80 | -42.1 | 171.7 | -175.1 | 176.8 | 16.8 | 0 | 0 | 111.1 | H788 D803 | H788-Q805 HydrophobicContact CB-CB 3.82Å; H788-Q805 PolarHBondContact CE1-OE1 2.9Å; H788-Q805 PolarHBondContact ND1-OE1 2.98Å; D803-Q805 VanDerWaalsContact C-N 3.35Å; D803-Q805 PolarHBondContact OD1-N 3.4Å; D803-Q805 VanDerWaalsContact OD1-N 3.08Å |
| 806 | R | 92.2 | Very high | 92.8 | Very high | 198 Ų | 198 | 54 Ų | 54 | 75% | 0.747 | 26% | 0.263 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -92.3 | -1.1 | 174.9 | -54.2 | -175 | -171.1 | 174.2 | -0.4 | 113.5 | D803 K808 | D803-R806 PolarHBondContact OD1-N 3.38Å; D803-R806 WeakPolarHBondContact OD2-CB 3.31Å; D803-R806 WeakPolarHBondContact OD2-CD 3.38Å; D803-R806 WeakPolarHBondContact OD2-CG 3.41Å; D803-R806 IonicContact OD2-NE 3.62Å; R806-K808 VanDerWaalsContact C-N 3.26Å; R806-K808 PolarHBondContact O-N 3.44Å |
| 807 | Q | 91.2 | Very high | 92.7 | Very high | 139 Ų | 139 | 57.1 Ų | 57.1 | 65% | 0.65 | 27% | 0.27 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 53.7 | 38.6 | -177.4 | -54.3 | -168.8 | -26.4 | 0 | 0 | 113.5 | L771 D803 | L771-Q807 HydrophobicContact CD2-CG 4.05Å; D803-Q807 CarbonylContact O-C 3.53Å; D803-Q807 VanDerWaalsContact O-CA 3.27Å; D803-Q807 WeakPolarHBondContact O-CA 3.45Å; D803-Q807 PolarHBondContact O-N 2.74Å |
| 808 | K | 92.6 | Very high | 92.4 | Very high | 129 Ų | 129 | 62.1 Ų | 62.1 | 56% | 0.561 | 30% | 0.301 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -117.8 | 132.5 | -175.9 | -173.1 | -175.4 | 173.5 | -172.3 | 0 | 111.4 | D803 R806 L810 | D803-K808 PolarHBondContact N-O 3.06Å; D803-K808 PolarHBondContact O-N 3.4Å; R806-K808 VanDerWaalsContact C-N 3.26Å; R806-K808 PolarHBondContact O-N 3.44Å; K808-L810 PolarHBondContact O-N 3.3Å |
| 809 | A | 92 | Very high | 92.1 | Very high | 41 Ų | 41 | 61.3 Ų | 61.3 | 34% | 0.339 | 30% | 0.296 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.5 | 124.8 | 163.7 | 0 | 0 | 0 | 0 | 0 | 110.1 | ||
| 810 | L | 92.7 | Very high | 91.6 | Very high | 38 Ų | 38 | 62.3 Ų | 62.3 | 20% | 0.199 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.4 | -33.7 | 171.5 | -59.3 | -173.8 | 0 | 0 | 0 | 111.5 | F789 V801 D803 K808 V852 | F789-L810 HydrophobicContact CD1-CD1 3.71Å; F789-L810 HydrophobicContact CE1-CD1 3.67Å; V801-L810 HydrophobicContact CB-CB 4.32Å; V801-L810 HydrophobicContact CG1-CB 4.35Å; V801-L810 HydrophobicContact CG1-CD1 4.28Å; V801-L810 PolarHBondContact O-N 3.13Å; D803-L810 HydrophobicContact CB-CD1 4.49Å; D803-L810 HydrophobicContact CB-CD2 4.32Å; D803-L810 HydrophobicContact CB-CG 4.25Å; K808-L810 PolarHBondContact O-N 3.3Å; L810-V852 HydrophobicContact CB-CG2 4.28Å |
| 811 | V | 94.6 | Very high | 90 | Very high | 4 Ų | 4 | 65.8 Ų | 65.8 | 2% | 0.024 | 32% | 0.324 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.2 | 133.5 | 179.1 | -172.6 | 0 | 0 | 0 | 0 | 107.6 | L799 S800 V801 E814 P838 F850 V852 | L799-V811 HydrophobicContact CD2-CB 4.19Å; L799-V811 HydrophobicContact CD2-CG1 3.7Å; S800-V811 CarbonylContact C-O 3.46Å; S800-V811 VanDerWaalsContact CA-O 3.3Å; S800-V811 WeakPolarHBondContact CA-O 3.46Å; V801-V811 HydrophobicContact CB-CB 4.04Å; V801-V811 HydrophobicContact CB-CG2 4.09Å; V801-V811 HydrophobicContact CG2-CB 4.04Å; V801-V811 HydrophobicContact CG2-CG2 4.01Å; V801-V811 PolarHBondContact N-O 2.64Å; V801-V811 PolarHBondContact O-N 2.96Å; V811-E814 HydrophobicContact CG1-CB 3.79Å; V811-E814 HydrophobicContact CG1-CG 3.35Å; V811-P838 HydrophobicContact CG2-CG 4.21Å; V811-F850 HydrophobicContact CG1-CD1 4.1Å; V811-F850 HydrophobicContact CG1-CE1 4.19Å; V811-F850 HydrophobicContact CG1-CG 4.37Å; V811-F850 HydrophobicContact CG2-CD1 3.61Å; V811-F850 HydrophobicContact CG2-CE1 4.06Å; V811-F850 HydrophobicContact CG2-CG 4.35Å; V811-V852 HydrophobicContact CG2-CG2 4.06Å |
| 812 | K | 91.2 | Very high | 88.2 | Confident | 153 Ų | 153 | 68.1 Ų | 68.1 | 67% | 0.665 | 35% | 0.349 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -132.8 | 95.9 | -166.1 | -175.8 | -169.8 | 172.5 | -171.8 | 0 | 112.5 | E814 | K812-E814 PolarHBondContact O-N 3.23Å |
| 813 | N | 87.9 | Confident | 86.3 | Confident | 79 Ų | 79 | 71.8 Ų | 71.8 | 42% | 0.422 | 39% | 0.387 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 57.4 | 31.1 | 179.3 | -63 | -45.3 | 0 | 0 | 0 | 114.4 | L799 S800 S815 | L799-N813 CarbonylContact O-C 3.55Å; L799-N813 WeakPolarHBondContact O-CA 3.26Å; L799-N813 PolarHBondContact O-N 3.42Å; S800-N813 PolarHBondContact OG-N 3.01Å; S800-N813 PolarHBondContact OG-OD1 3.31Å; N813-S815 PolarHBondContact O-N 2.95Å |
| 814 | E | 93.2 | Very high | 85 | Confident | 69 Ų | 69 | 80.1 Ų | 80.1 | 32% | 0.322 | 43% | 0.426 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -62.2 | 130.3 | 180 | -74.9 | -54 | 139.5 | 0 | 0 | 111.4 | T798 L799 V811 K812 F850 | T798-E814 CarbonylContact C-O 3.46Å; T798-E814 VanDerWaalsContact CA-O 3.24Å; T798-E814 WeakPolarHBondContact CA-O 3.44Å; L799-E814 PolarHBondContact N-O 3.38Å; L799-E814 PolarHBondContact O-N 3.43Å; V811-E814 HydrophobicContact CG1-CB 3.79Å; V811-E814 HydrophobicContact CG1-CG 3.35Å; K812-E814 PolarHBondContact O-N 3.23Å; E814-F850 HydrophobicContact CB-CE2 4.45Å; E814-F850 HydrophobicContact CG-CD2 4.34Å; E814-F850 HydrophobicContact CG-CE2 3.71Å; E814-F850 HydrophobicContact CG-CZ 3.8Å |
| 815 | S | 90.8 | Very high | 84.1 | Confident | 41 Ų | 41 | 80.5 Ų | 80.5 | 29% | 0.287 | 43% | 0.428 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.8 | 130.5 | -176.5 | -166 | 0 | 0 | 0 | 0 | 111.1 | N813 Q817 T818 | N813-S815 PolarHBondContact O-N 2.95Å; S815-Q817 PolarHBondContact O-N 3Å; S815-Q817 WeakPolarHBondContact OG-CB 3.46Å; S815-Q817 WeakPolarHBondContact OG-CG 3.27Å; S815-Q817 PolarHBondContact OG-N 3.46Å; S815-T818 PolarHBondContact O-OG1 2.9Å |
| 816 | L | 89.2 | Confident | 83.7 | Confident | 0 Ų | 0 | 77.9 Ų | 77.9 | 0% | 0 | 42% | 0.422 | C | S | . | . | G | 310 helix | trans | -70.5 | -11.7 | 171.3 | -60.8 | -167.7 | 0 | 0 | 0 | 112.8 | L686 L793 A797 L799 T818 I819 F820 V827 I840 W857 | L686-L816 HydrophobicContact CD1-CD1 4.12Å; L793-L816 HydrophobicContact CD2-CD1 3.76Å; L793-L816 HydrophobicContact CD2-CD2 4.41Å; L793-L816 HydrophobicContact CD2-CG 4.3Å; A797-L816 PolarHBondContact O-N 3.45Å; L799-L816 HydrophobicContact CB-CD2 4.26Å; L816-T818 PolarHBondContact O-N 2.89Å; L816-I819 HydrophobicContact CB-CG1 4.43Å; L816-I819 HydrophobicContact CD2-CD1 4.28Å; L816-I819 WeakPolarHBondContact O-CG1 3.21Å; L816-I819 PolarHBondContact O-N 3.12Å; L816-F820 HydrophobicContact CB-CD2 3.9Å; L816-F820 HydrophobicContact CB-CE2 3.41Å; L816-F820 VanDerWaalsContact CB-CE2 3.41Å; L816-F820 HydrophobicContact CB-CZ 4.27Å; L816-F820 HydrophobicContact CD1-CE2 4.1Å; L816-F820 HydrophobicContact CD1-CZ 4.22Å; L816-F820 HydrophobicContact CG-CE2 4.44Å; L816-F820 WeakPolarHBondContact O-CD2 3.44Å; L816-F820 PolarHBondContact O-N 3.39Å; L816-V827 HydrophobicContact CD1-CG2 3.99Å; L816-I840 HydrophobicContact CD1-CG2 4.48Å; L816-I840 HydrophobicContact CD2-CG1 4.01Å; L816-W857 HydrophobicContact CD2-CH2 3.74Å; L816-W857 HydrophobicContact CD2-CZ2 3.51Å |
| 817 | Q | 85.9 | Confident | 83.5 | Confident | 89 Ų | 89 | 70.4 Ų | 70.4 | 42% | 0.416 | 40% | 0.398 | S | S | . | . | G | 310 helix | trans | -56.1 | -25.4 | 179.4 | -63.3 | -70.8 | 6.1 | 0 | 0 | 112.9 | S815 I819 | S815-Q817 PolarHBondContact O-N 3Å; S815-Q817 WeakPolarHBondContact OG-CB 3.46Å; S815-Q817 WeakPolarHBondContact OG-CG 3.27Å; S815-Q817 PolarHBondContact OG-N 3.46Å; Q817-I819 VanDerWaalsContact C-N 3.31Å; Q817-I819 PolarHBondContact O-N 2.65Å |
| 818 | T | 83.6 | Confident | 83.4 | Confident | 105 Ų | 105 | 67.5 Ų | 67.5 | 64% | 0.644 | 39% | 0.393 | S | S | * | . | G | 310 helix | trans | -73.1 | -18.8 | 177.5 | 56.6 | 0 | 0 | 0 | 0 | 114.2 | S815 L816 W857 | S815-T818 PolarHBondContact O-OG1 2.9Å; L816-T818 PolarHBondContact O-N 2.89Å; T818-W857 PolarHBondContact OG1-NE1 2.93Å |
| 819 | I | 88 | Confident | 83.2 | Confident | 8 Ų | 8 | 64 Ų | 64 | 4% | 0.041 | 38% | 0.38 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -107.5 | -16.9 | 178.9 | 61.1 | 167.6 | 0 | 0 | 0 | 113.6 | L816 Q817 S821 I840 L842 F848 W857 | L816-I819 HydrophobicContact CB-CG1 4.43Å; L816-I819 HydrophobicContact CD2-CD1 4.28Å; L816-I819 WeakPolarHBondContact O-CG1 3.21Å; L816-I819 PolarHBondContact O-N 3.12Å; Q817-I819 VanDerWaalsContact C-N 3.31Å; Q817-I819 PolarHBondContact O-N 2.65Å; I819-S821 PolarHBondContact O-N 3.26Å; I819-S821 VanDerWaalsContact O-N 3.12Å; I819-I840 HydrophobicContact CD1-CB 3.9Å; I819-I840 HydrophobicContact CD1-CG2 3.7Å; I819-L842 HydrophobicContact CD1-CD2 4.44Å; I819-L842 VanDerWaalsContact O-CD1 3.22Å; I819-L842 WeakPolarHBondContact O-CD1 3.46Å; I819-F848 HydrophobicContact CB-CD1 4.46Å; I819-F848 HydrophobicContact CB-CD2 3.9Å; I819-F848 HydrophobicContact CB-CE2 3.96Å; I819-F848 HydrophobicContact CB-CG 4.17Å; I819-F848 HydrophobicContact CB-CZ 4.26Å; I819-F848 HydrophobicContact CD1-CB 4.38Å; I819-F848 HydrophobicContact CD1-CD2 4.07Å; I819-F848 HydrophobicContact CD1-CG 4.42Å; I819-F848 HydrophobicContact CG2-CB 4.22Å; I819-F848 HydrophobicContact CG2-CD1 3.84Å; I819-F848 HydrophobicContact CG2-CD2 4.07Å; I819-F848 HydrophobicContact CG2-CE1 4.16Å; I819-F848 HydrophobicContact CG2-CE2 4.38Å; I819-F848 HydrophobicContact CG2-CG 3.79Å; I819-F848 HydrophobicContact CG2-CZ 4.42Å; I819-W857 HydrophobicContact CD1-CD2 4.47Å; I819-W857 HydrophobicContact CD1-CE3 4.3Å; I819-W857 HydrophobicContact CD1-CZ3 4.34Å; I819-W857 HydrophobicContact CG2-CB 3.56Å; I819-W857 HydrophobicContact CG2-CD2 3.8Å; I819-W857 HydrophobicContact CG2-CE3 4.26Å; I819-W857 HydrophobicContact CG2-CG 3.49Å; I819-W857 VanDerWaalsContact CG2-CG 3.49Å |
| 820 | F | 83.9 | Confident | 83.3 | Confident | 22 Ų | 22 | 63.4 Ų | 63.4 | 10% | 0.096 | 37% | 0.373 | C | S | . | . | trans | -72.7 | 100.8 | 175.8 | -74.4 | -62.6 | 0 | 0 | 0 | 112.1 | L684 L686 L816 G822 T825 V827 L842 | L684-F820 HydrophobicContact CD1-CB 4.22Å; L684-F820 HydrophobicContact CD1-CD1 3.93Å; L684-F820 HydrophobicContact CD1-CD2 3.44Å; L684-F820 VanDerWaalsContact CD1-CD2 3.44Å; L684-F820 HydrophobicContact CD1-CE1 4.07Å; L684-F820 HydrophobicContact CD1-CE2 3.59Å; L684-F820 HydrophobicContact CD1-CG 3.62Å; L684-F820 HydrophobicContact CD1-CZ 3.91Å; L684-F820 HydrophobicContact CD2-CD2 4.17Å; L684-F820 HydrophobicContact CD2-CE2 3.49Å; L684-F820 VanDerWaalsContact CD2-CE2 3.49Å; L684-F820 HydrophobicContact CD2-CZ 3.75Å; L684-F820 HydrophobicContact CG-CD2 4.42Å; L684-F820 HydrophobicContact CG-CE2 4.19Å; L686-F820 HydrophobicContact CD2-CZ 4.39Å; L816-F820 HydrophobicContact CB-CD2 3.9Å; L816-F820 HydrophobicContact CB-CE2 3.41Å; L816-F820 VanDerWaalsContact CB-CE2 3.41Å; L816-F820 HydrophobicContact CB-CZ 4.27Å; L816-F820 HydrophobicContact CD1-CE2 4.1Å; L816-F820 HydrophobicContact CD1-CZ 4.22Å; L816-F820 HydrophobicContact CG-CE2 4.44Å; L816-F820 WeakPolarHBondContact O-CD2 3.44Å; L816-F820 PolarHBondContact O-N 3.39Å; F820-G822 PolarHBondContact O-N 3.32Å; F820-T825 WeakPolarHBondContact CD1-O 3.38Å; F820-T825 WeakPolarHBondContact CD1-OG1 3.45Å; F820-T825 WeakPolarHBondContact CE1-O 3.36Å; F820-V827 HydrophobicContact CE1-CG2 4.23Å; F820-V827 HydrophobicContact CZ-CG2 3.77Å; F820-L842 HydrophobicContact CD1-CD1 4.43Å; F820-L842 HydrophobicContact CD1-CD2 3.97Å; F820-L842 HydrophobicContact CE1-CD2 3.65Å; F820-L842 HydrophobicContact CZ-CD2 4.42Å | ||
| 821 | S | 64.1 | Low | 83.3 | Confident | 74 Ų | 74 | 64.1 Ų | 64.1 | 52% | 0.517 | 38% | 0.377 | S | S | . | . | trans | -88.9 | 76.2 | 178.4 | 69.8 | 0 | 0 | 0 | 0 | 111.9 | I819 T825 N844 | I819-S821 PolarHBondContact O-N 3.26Å; I819-S821 VanDerWaalsContact O-N 3.12Å; S821-T825 PolarHBondContact N-OG1 2.99Å; S821-T825 WeakPolarHBondContact O-CG2 3.48Å; S821-N844 PolarHBondContact OG-ND2 3.08Å; S821-N844 VanDerWaalsContact OG-ND2 3.11Å | ||
| 822 | G | 59.5 | Low | 83.2 | Confident | 50 Ų | 50 | 64.9 Ų | 64.9 | 52% | 0.515 | 38% | 0.381 | S | S | . | . | S | Bend | trans | 102.1 | 161.1 | 173.9 | 0 | 0 | 0 | 0 | 0 | 115.2 | F820 E824 T825 | F820-G822 PolarHBondContact O-N 3.32Å; G822-E824 VanDerWaalsContact C-N 3.26Å; G822-E824 PolarHBondContact O-N 2.92Å; G822-E824 VanDerWaalsContact O-N 3.08Å; G822-T825 PolarHBondContact O-N 2.86Å; G822-T825 VanDerWaalsContact O-N 3.16Å; G822-T825 PolarHBondContact O-OG1 2.94Å |
| 823 | A | 57.3 | Low | 83.3 | Confident | 115 Ų | 115 | 58 Ų | 58 | 95% | 0.95 | 35% | 0.352 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65 | -16.3 | -160.4 | 0 | 0 | 0 | 0 | 0 | 116.6 | ||
| 824 | E | 67.4 | Low | 83.4 | Confident | 181 Ų | 181 | 61 Ų | 61 | 85% | 0.846 | 36% | 0.364 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -105 | 3.6 | -178.2 | -60 | -176.2 | 165.8 | 0 | 0 | 113.1 | G822 | G822-E824 VanDerWaalsContact C-N 3.26Å; G822-E824 PolarHBondContact O-N 2.92Å; G822-E824 VanDerWaalsContact O-N 3.08Å |
| 825 | T | 76.9 | Confident | 83.3 | Confident | 16 Ų | 16 | 61.1 Ų | 61.1 | 10% | 0.098 | 36% | 0.364 | C | S | . | . | trans | -80.3 | 126.5 | 179.2 | 55.4 | 0 | 0 | 0 | 0 | 111.6 | F820 S821 G822 N844 | F820-T825 WeakPolarHBondContact CD1-O 3.38Å; F820-T825 WeakPolarHBondContact CD1-OG1 3.45Å; F820-T825 WeakPolarHBondContact CE1-O 3.36Å; S821-T825 PolarHBondContact N-OG1 2.99Å; S821-T825 WeakPolarHBondContact O-CG2 3.48Å; G822-T825 PolarHBondContact O-N 2.86Å; G822-T825 VanDerWaalsContact O-N 3.16Å; G822-T825 PolarHBondContact O-OG1 2.94Å; T825-N844 HydrophobicContact CG2-CB 4.19Å | ||
| 826 | T | 83.5 | Confident | 83.3 | Confident | 84 Ų | 84 | 59.2 Ų | 59.2 | 52% | 0.515 | 35% | 0.351 | S | S | . | . | trans | -123 | 160.7 | -178.6 | 60.5 | 0 | 0 | 0 | 0 | 110.7 | S828 L842 S843 | T826-S828 PolarHBondContact O-N 2.99Å; T826-L842 CarbonylContact O-C 3.59Å; T826-L842 VanDerWaalsContact O-CA 3.24Å; T826-L842 WeakPolarHBondContact O-CA 3.16Å; T826-S843 PolarHBondContact N-OG 3.07Å; T826-S843 PolarHBondContact O-N 2.88Å; T826-S843 WeakPolarHBondContact OG1-CB 3.49Å; T826-S843 PolarHBondContact OG1-OG 2.86Å | ||
| 827 | V | 88.5 | Confident | 83.6 | Confident | 41 Ų | 41 | 59.3 Ų | 59.3 | 25% | 0.248 | 35% | 0.352 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.2 | 117.4 | 172 | -178 | 0 | 0 | 0 | 0 | 108.8 | L686 L816 F820 L829 I840 | L686-V827 HydrophobicContact CD2-CG2 3.92Å; L816-V827 HydrophobicContact CD1-CG2 3.99Å; F820-V827 HydrophobicContact CE1-CG2 4.23Å; F820-V827 HydrophobicContact CZ-CG2 3.77Å; V827-L829 WeakPolarHBondContact CG1-O 3.47Å; V827-I840 HydrophobicContact CG1-CG2 4.18Å; V827-I840 HydrophobicContact CG2-CG2 4.24Å |
| 828 | S | 88.2 | Confident | 84 | Confident | 78 Ų | 78 | 55.1 Ų | 55.1 | 55% | 0.545 | 33% | 0.332 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.5 | -21.1 | 174.5 | 65.1 | 0 | 0 | 0 | 0 | 112.7 | T826 G841 L842 | T826-S828 PolarHBondContact O-N 2.99Å; S828-G841 PolarHBondContact N-O 3.22Å; S828-G841 VanDerWaalsContact OG-C 3.24Å; S828-G841 PolarHBondContact OG-O 3.32Å; S828-L842 PolarHBondContact OG-N 2.8Å; S828-L842 PolarHBondContact OG-O 2.98Å |
| 829 | L | 89.2 | Confident | 84.6 | Confident | 56 Ų | 56 | 50.1 Ų | 50.1 | 29% | 0.293 | 30% | 0.301 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -151.7 | 139 | -177.7 | -178.7 | 63.4 | 0 | 0 | 0 | 110.6 | V827 L831 I840 G841 V892 | V827-L829 WeakPolarHBondContact CG1-O 3.47Å; L829-L831 HydrophobicContact CD1-CD1 4.01Å; L829-L831 HydrophobicContact CD1-CD2 4.19Å; L829-L831 HydrophobicContact CD1-CG 3.83Å; L829-L831 HydrophobicContact CD2-CD1 3.87Å; L829-L831 HydrophobicContact CD2-CG 4.38Å; L829-L831 HydrophobicContact CG-CD1 4.06Å; L829-L831 HydrophobicContact CG-CG 4.01Å; L829-I840 WeakPolarHBondContact O-CA 3.31Å; L829-G841 PolarHBondContact N-O 3.32Å; L829-G841 VanDerWaalsContact N-O 3.16Å; L829-G841 PolarHBondContact O-N 3.26Å; L829-V892 HydrophobicContact CD2-CG2 4.38Å |
| 830 | S | 93.4 | Very high | 84.9 | Confident | 28 Ų | 28 | 49.8 Ų | 49.8 | 20% | 0.196 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.3 | 128.1 | 168.5 | 42.7 | 0 | 0 | 0 | 0 | 109.5 | H784 I839 | H784-S830 PolarHBondContact CE1-O 3.05Å; H784-S830 VanDerWaalsContact CE1-O 3.29Å; H784-S830 PolarHBondContact CE1-OG 3.36Å; H784-S830 PolarHBondContact NE2-OG 3.29Å; S830-I839 WeakPolarHBondContact CA-O 3.26Å |
| 831 | L | 92.2 | Very high | 85.3 | Confident | 54 Ų | 54 | 48.7 Ų | 48.7 | 28% | 0.283 | 30% | 0.295 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -143 | 158.3 | -175.9 | -65.5 | 174.2 | 0 | 0 | 0 | 111.1 | M791 L829 I839 V891 V892 | M791-L831 WeakPolarHBondContact CE-O 3.26Å; L829-L831 HydrophobicContact CD1-CD1 4.01Å; L829-L831 HydrophobicContact CD1-CD2 4.19Å; L829-L831 HydrophobicContact CD1-CG 3.83Å; L829-L831 HydrophobicContact CD2-CD1 3.87Å; L829-L831 HydrophobicContact CD2-CG 4.38Å; L829-L831 HydrophobicContact CG-CD1 4.06Å; L829-L831 HydrophobicContact CG-CG 4.01Å; L831-I839 HydrophobicContact CB-CB 4.28Å; L831-I839 PolarHBondContact N-O 2.95Å; L831-I839 PolarHBondContact O-N 2.86Å; L831-V891 HydrophobicContact CD1-CG1 3.93Å; L831-V892 HydrophobicContact CD1-CG2 4.45Å |
| 832 | L | 94.3 | Very high | 86.6 | Confident | 19 Ų | 19 | 45.3 Ų | 45.3 | 10% | 0.099 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.7 | 121 | 175 | -177.7 | 65.2 | 0 | 0 | 0 | 109.1 | H784 S786 F789 M791 V801 | H784-L832 HydrophobicContact CB-CB 4.45Å; S786-L832 WeakPolarHBondContact CB-O 3.37Å; S786-L832 PolarHBondContact OG-O 3.1Å; F789-L832 HydrophobicContact CB-CD2 3.86Å; F789-L832 HydrophobicContact CB-CG 4.49Å; M791-L832 HydrophobicContact CB-CB 4.4Å; M791-L832 HydrophobicContact CB-CD1 4.08Å; M791-L832 HydrophobicContact CB-CD2 3.77Å; M791-L832 HydrophobicContact CB-CG 4.31Å; M791-L832 HydrophobicContact CE-CB 4.3Å; M791-L832 HydrophobicContact SD-CB 4.35Å; M791-L832 HydrophobicContact SD-CD1 4.27Å; V801-L832 HydrophobicContact CG1-CD1 4Å; V801-L832 HydrophobicContact CG2-CD1 4.32Å |
| 833 | T | 92.7 | Very high | 87.9 | Confident | 8 Ų | 8 | 46 Ų | 46 | 5% | 0.049 | 27% | 0.267 | C | S | . | . | trans | -69.7 | 162.1 | 177.5 | 73.3 | 0 | 0 | 0 | 0 | 111.4 | S786 Q835 G836 V837 I839 P888 L932 | S786-T833 PolarHBondContact OG-O 2.75Å; T833-Q835 PolarHBondContact O-N 2.74Å; T833-Q835 VanDerWaalsContact O-N 3.08Å; T833-Q835 PolarHBondContact OG1-N 3.31Å; T833-Q835 PolarHBondContact OG1-OE1 2.98Å; T833-G836 PolarHBondContact O-N 2.91Å; T833-V837 HydrophobicContact CG2-CB 4.07Å; T833-V837 PolarHBondContact N-O 2.9Å; T833-V837 WeakPolarHBondContact OG1-CB 3.31Å; T833-V837 PolarHBondContact OG1-N 2.89Å; T833-I839 HydrophobicContact CG2-CD1 3.95Å; T833-I839 HydrophobicContact CG2-CG1 4.43Å; T833-P888 HydrophobicContact CG2-CB 3.85Å; T833-P888 HydrophobicContact CG2-CG 3.7Å; T833-L932 HydrophobicContact CG2-CD2 4.35Å | ||
| 834 | Q | 89.2 | Confident | 89.3 | Confident | 144 Ų | 144 | 43.1 Ų | 43.1 | 67% | 0.673 | 24% | 0.236 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -63.1 | -12.1 | 174 | -67.7 | 176.7 | -14 | 0 | 0 | 113 | S786 F789 | S786-Q834 PolarHBondContact OG-N 3.34Å; F789-Q834 VanDerWaalsContact CE2-O 3.28Å; F789-Q834 WeakPolarHBondContact CE2-O 3.26Å |
| 835 | Q | 90.6 | Very high | 90.1 | Very high | 71 Ų | 71 | 35.3 Ų | 35.3 | 33% | 0.332 | 20% | 0.204 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -98.7 | 4.7 | 177.3 | -60.3 | 73.3 | 18.8 | 0 | 0 | 112.3 | T833 Q933 | T833-Q835 PolarHBondContact O-N 2.74Å; T833-Q835 VanDerWaalsContact O-N 3.08Å; T833-Q835 PolarHBondContact OG1-N 3.31Å; T833-Q835 PolarHBondContact OG1-OE1 2.98Å; Q835-Q933 HydrophobicContact CB-CB 4.02Å; Q835-Q933 HydrophobicContact CG-CB 3.98Å |
| 836 | G | 91.8 | Very high | 90.7 | Very high | 1 Ų | 1 | 37.6 Ų | 37.6 | 1% | 0.01 | 21% | 0.213 | C | C | . | . | S | Bend | trans | 79.7 | 13.5 | 178.6 | 0 | 0 | 0 | 0 | 0 | 115 | F789 T833 P838 | F789-G836 VanDerWaalsContact CG-CA 3.48Å; T833-G836 PolarHBondContact O-N 2.91Å; G836-P838 WeakPolarHBondContact O-CD 3.48Å |
| 837 | V | 94.8 | Very high | 91.2 | Very high | 2 Ų | 2 | 33.8 Ų | 33.8 | 1% | 0.012 | 19% | 0.189 | C | C | . | . | trans | -82.8 | 120.9 | 176.3 | -176.5 | 0 | 0 | 0 | 0 | 109.2 | T833 C849 L932 Q933 | T833-V837 HydrophobicContact CG2-CB 4.07Å; T833-V837 PolarHBondContact N-O 2.9Å; T833-V837 WeakPolarHBondContact OG1-CB 3.31Å; T833-V837 PolarHBondContact OG1-N 2.89Å; V837-C849 HydrophobicContact CG1-CB 3.92Å; V837-L932 HydrophobicContact CG1-CD2 4.39Å; V837-Q933 HydrophobicContact CG2-CG 4.13Å | ||
| 838 | P | 96.1 | Very high | 91.4 | Very high | 0 Ų | 0 | 33.1 Ų | 33.1 | 0% | 0 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.1 | 145.8 | 176.1 | 34.5 | -35.4 | 0 | 0 | 0 | 110.9 | M791 L799 V801 V811 G836 C849 F850 | M791-P838 HydrophobicContact SD-CB 3.46Å; M791-P838 WeakPolarHBondContact SD-CB 3.13Å; L799-P838 HydrophobicContact CD1-CB 4.01Å; L799-P838 HydrophobicContact CD2-CB 3.87Å; L799-P838 HydrophobicContact CD2-CG 3.88Å; V801-P838 HydrophobicContact CG2-CB 3.93Å; V801-P838 HydrophobicContact CG2-CG 3.97Å; V811-P838 HydrophobicContact CG2-CG 4.21Å; G836-P838 WeakPolarHBondContact O-CD 3.48Å; P838-C849 WeakPolarHBondContact O-CA 3.2Å; P838-C849 VanDerWaalsContact O-CB 3.27Å; P838-C849 WeakPolarHBondContact O-CB 3.39Å; P838-F850 HydrophobicContact CG-CB 3.69Å; P838-F850 PolarHBondContact O-N 3.03Å |
| 839 | I | 95.4 | Very high | 91.8 | Very high | 1 Ų | 1 | 29.4 Ų | 29.4 | 1% | 0.005 | 16% | 0.157 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.9 | 131.8 | 177.8 | -46.8 | 174.9 | 0 | 0 | 0 | 109.6 | S830 L831 T833 F848 C849 I860 P888 V892 L932 | S830-I839 WeakPolarHBondContact CA-O 3.26Å; L831-I839 HydrophobicContact CB-CB 4.28Å; L831-I839 PolarHBondContact N-O 2.95Å; L831-I839 PolarHBondContact O-N 2.86Å; T833-I839 HydrophobicContact CG2-CD1 3.95Å; T833-I839 HydrophobicContact CG2-CG1 4.43Å; I839-F848 CarbonylContact C-O 3.53Å; I839-F848 WeakPolarHBondContact CA-O 3.18Å; I839-F848 WeakPolarHBondContact CG2-O 3.27Å; I839-C849 HydrophobicContact CG1-CB 4.13Å; I839-I860 HydrophobicContact CG2-CD1 3.88Å; I839-P888 HydrophobicContact CD1-CB 3.97Å; I839-V892 HydrophobicContact CD1-CG2 4.08Å; I839-V892 HydrophobicContact CG2-CG2 3.84Å; I839-L932 HydrophobicContact CD1-CD2 3.5Å; I839-L932 HydrophobicContact CG1-CD2 3.85Å |
| 840 | I | 94.6 | Very high | 92 | Very high | 0 Ų | 0 | 27 Ų | 27 | 0% | 0 | 15% | 0.145 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.5 | 116.3 | 176.4 | -58.2 | -63.8 | 0 | 0 | 0 | 109.2 | L793 L799 L816 I819 V827 L829 L842 S847 F848 W857 | L793-I840 HydrophobicContact CD1-CD1 3.89Å; L793-I840 HydrophobicContact CD2-CD1 4.16Å; L793-I840 HydrophobicContact CG-CD1 4.5Å; L799-I840 HydrophobicContact CD1-CD1 3.87Å; L799-I840 HydrophobicContact CD1-CG1 4.12Å; L816-I840 HydrophobicContact CD1-CG2 4.48Å; L816-I840 HydrophobicContact CD2-CG1 4.01Å; I819-I840 HydrophobicContact CD1-CB 3.9Å; I819-I840 HydrophobicContact CD1-CG2 3.7Å; V827-I840 HydrophobicContact CG1-CG2 4.18Å; V827-I840 HydrophobicContact CG2-CG2 4.24Å; L829-I840 WeakPolarHBondContact O-CA 3.31Å; I840-L842 HydrophobicContact CG2-CD2 3.96Å; I840-S847 WeakPolarHBondContact O-CA 3.43Å; I840-F848 PolarHBondContact N-O 3.23Å; I840-F848 PolarHBondContact O-N 3.06Å; I840-W857 HydrophobicContact CB-CH2 4.45Å; I840-W857 HydrophobicContact CB-CZ3 4.25Å; I840-W857 HydrophobicContact CG1-CH2 3.7Å; I840-W857 HydrophobicContact CG1-CZ3 3.91Å |
| 841 | G | 92.3 | Very high | 91.9 | Very high | 0 Ų | 0 | 26.2 Ų | 26.2 | 0% | 0 | 14% | 0.139 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.3 | 142 | 168.1 | 0 | 0 | 0 | 0 | 0 | 110.8 | S828 L829 | S828-G841 PolarHBondContact N-O 3.22Å; S828-G841 VanDerWaalsContact OG-C 3.24Å; S828-G841 PolarHBondContact OG-O 3.32Å; L829-G841 PolarHBondContact N-O 3.32Å; L829-G841 VanDerWaalsContact N-O 3.16Å; L829-G841 PolarHBondContact O-N 3.26Å |
| 842 | L | 90.8 | Very high | 91.7 | Very high | 2 Ų | 2 | 25.7 Ų | 25.7 | 1% | 0.01 | 14% | 0.138 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.3 | 162.2 | -179 | -59.3 | -175.8 | 0 | 0 | 0 | 112 | I819 F820 T826 S828 I840 N844 G845 K846 F848 | I819-L842 HydrophobicContact CD1-CD2 4.44Å; I819-L842 VanDerWaalsContact O-CD1 3.22Å; I819-L842 WeakPolarHBondContact O-CD1 3.46Å; F820-L842 HydrophobicContact CD1-CD1 4.43Å; F820-L842 HydrophobicContact CD1-CD2 3.97Å; F820-L842 HydrophobicContact CE1-CD2 3.65Å; F820-L842 HydrophobicContact CZ-CD2 4.42Å; T826-L842 CarbonylContact O-C 3.59Å; T826-L842 VanDerWaalsContact O-CA 3.24Å; T826-L842 WeakPolarHBondContact O-CA 3.16Å; S828-L842 PolarHBondContact OG-N 2.8Å; S828-L842 PolarHBondContact OG-O 2.98Å; I840-L842 HydrophobicContact CG2-CD2 3.96Å; L842-N844 WeakPolarHBondContact CB-OD1 3.15Å; L842-N844 PolarHBondContact O-N 3.19Å; L842-G845 PolarHBondContact O-N 2.79Å; L842-K846 PolarHBondContact N-O 2.84Å; L842-F848 HydrophobicContact CD1-CD2 4.37Å; L842-F848 HydrophobicContact CD1-CE2 3.86Å; L842-F848 HydrophobicContact CG-CE2 4.46Å |
| 843 | S | 87.2 | Confident | 91.2 | Very high | 64 Ų | 64 | 29.9 Ų | 29.9 | 45% | 0.448 | 17% | 0.169 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -62.4 | -25.8 | 178.1 | 56.9 | 0 | 0 | 0 | 0 | 113.7 | T826 G845 | T826-S843 PolarHBondContact N-OG 3.07Å; T826-S843 PolarHBondContact O-N 2.88Å; T826-S843 WeakPolarHBondContact OG1-CB 3.49Å; T826-S843 PolarHBondContact OG1-OG 2.86Å; S843-G845 PolarHBondContact O-N 2.98Å |
| 844 | N | 85.8 | Confident | 90.8 | Very high | 56 Ų | 56 | 34.8 Ų | 34.8 | 30% | 0.299 | 19% | 0.194 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -74.9 | 2.8 | 176 | 67.9 | 7.2 | 0 | 0 | 0 | 114.3 | S821 T825 L842 K846 | S821-N844 PolarHBondContact OG-ND2 3.08Å; S821-N844 VanDerWaalsContact OG-ND2 3.11Å; T825-N844 HydrophobicContact CG2-CB 4.19Å; L842-N844 WeakPolarHBondContact CB-OD1 3.15Å; L842-N844 PolarHBondContact O-N 3.19Å; N844-K846 VanDerWaalsContact C-N 3.32Å; N844-K846 PolarHBondContact O-N 2.66Å; N844-K846 VanDerWaalsContact OD1-CB 3.32Å; N844-K846 WeakPolarHBondContact OD1-CB 3.41Å; N844-K846 PolarHBondContact OD1-N 2.97Å |
| 845 | G | 84.9 | Confident | 90.8 | Very high | 17 Ų | 17 | 35.5 Ų | 35.5 | 18% | 0.175 | 20% | 0.198 | C | C | . | . | S | Bend | trans | 83.6 | -1.6 | 179 | 0 | 0 | 0 | 0 | 0 | 115.4 | L842 S843 K863 | L842-G845 PolarHBondContact O-N 2.79Å; S843-G845 PolarHBondContact O-N 2.98Å; G845-K863 PolarHBondContact O-N 3.47Å; G845-K863 VanDerWaalsContact O-N 3.09Å |
| 846 | K | 90.1 | Very high | 90.8 | Very high | 64 Ų | 64 | 35.4 Ų | 35.4 | 28% | 0.278 | 20% | 0.202 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -80.4 | 148.7 | 170.1 | -60.8 | -178.8 | -170.3 | -89.6 | 0 | 110.6 | L842 N844 F848 L859 A861 D862 | L842-K846 PolarHBondContact N-O 2.84Å; N844-K846 VanDerWaalsContact C-N 3.32Å; N844-K846 PolarHBondContact O-N 2.66Å; N844-K846 VanDerWaalsContact OD1-CB 3.32Å; N844-K846 WeakPolarHBondContact OD1-CB 3.41Å; N844-K846 PolarHBondContact OD1-N 2.97Å; K846-F848 HydrophobicContact CB-CE2 3.82Å; K846-F848 HydrophobicContact CB-CZ 4.24Å; K846-F848 HydrophobicContact CD-CZ 4.35Å; K846-L859 HydrophobicContact CB-CD1 3.91Å; K846-L859 HydrophobicContact CG-CD1 4.31Å; K846-A861 CarbonylContact C-O 3.59Å; K846-A861 WeakPolarHBondContact CA-O 3.5Å; K846-D862 WeakPolarHBondContact CE-OD2 3.38Å; K846-D862 HydrophobicContact CG-CB 4.32Å; K846-D862 IonicContact NZ-OD2 3.9Å; K846-D862 PolarHBondContact NZ-OD2 2.84Å |
| 847 | S | 92.5 | Very high | 90.9 | Very high | 3 Ų | 3 | 37.2 Ų | 37.2 | 2% | 0.021 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.1 | 133.4 | 174.4 | -57.2 | 0 | 0 | 0 | 0 | 110.9 | I840 I860 A861 V892 | I840-S847 WeakPolarHBondContact O-CA 3.43Å; S847-I860 WeakPolarHBondContact O-CG1 3.11Å; S847-I860 PolarHBondContact O-N 3.17Å; S847-A861 PolarHBondContact N-O 3.46Å; S847-A861 PolarHBondContact O-N 3.27Å; S847-V892 WeakPolarHBondContact OG-CG1 3.18Å |
| 848 | F | 94.4 | Very high | 90.8 | Very high | 27 Ų | 27 | 38.6 Ų | 38.6 | 12% | 0.118 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.9 | 146.3 | -175.1 | -56.7 | -98.1 | 0 | 0 | 0 | 109.7 | I819 I839 I840 L842 K846 W857 T858 L859 | I819-F848 HydrophobicContact CB-CD1 4.46Å; I819-F848 HydrophobicContact CB-CD2 3.9Å; I819-F848 HydrophobicContact CB-CE2 3.96Å; I819-F848 HydrophobicContact CB-CG 4.17Å; I819-F848 HydrophobicContact CB-CZ 4.26Å; I819-F848 HydrophobicContact CD1-CB 4.38Å; I819-F848 HydrophobicContact CD1-CD2 4.07Å; I819-F848 HydrophobicContact CD1-CG 4.42Å; I819-F848 HydrophobicContact CG2-CB 4.22Å; I819-F848 HydrophobicContact CG2-CD1 3.84Å; I819-F848 HydrophobicContact CG2-CD2 4.07Å; I819-F848 HydrophobicContact CG2-CE1 4.16Å; I819-F848 HydrophobicContact CG2-CE2 4.38Å; I819-F848 HydrophobicContact CG2-CG 3.79Å; I819-F848 HydrophobicContact CG2-CZ 4.42Å; I839-F848 CarbonylContact C-O 3.53Å; I839-F848 WeakPolarHBondContact CA-O 3.18Å; I839-F848 WeakPolarHBondContact CG2-O 3.27Å; I840-F848 PolarHBondContact N-O 3.23Å; I840-F848 PolarHBondContact O-N 3.06Å; L842-F848 HydrophobicContact CD1-CD2 4.37Å; L842-F848 HydrophobicContact CD1-CE2 3.86Å; L842-F848 HydrophobicContact CG-CE2 4.46Å; K846-F848 HydrophobicContact CB-CE2 3.82Å; K846-F848 HydrophobicContact CB-CZ 4.24Å; K846-F848 HydrophobicContact CD-CZ 4.35Å; F848-W857 HydrophobicContact CB-CE3 3.81Å; F848-W857 HydrophobicContact CB-CZ3 4.42Å; F848-T858 CarbonylContact C-O 3.46Å; F848-T858 VanDerWaalsContact CA-O 3.26Å; F848-T858 WeakPolarHBondContact CA-O 3.42Å; F848-L859 HydrophobicContact CD1-CB 4.04Å; F848-L859 HydrophobicContact CD1-CD1 4.13Å; F848-L859 HydrophobicContact CE1-CB 3.96Å; F848-L859 HydrophobicContact CE1-CD1 3.79Å; F848-L859 HydrophobicContact CE1-CG 4.46Å; F848-L859 HydrophobicContact CE2-CD1 4.27Å; F848-L859 HydrophobicContact CZ-CD1 3.86Å |
| 849 | C | 95.3 | Very high | 90.6 | Very high | 0 Ų | 0 | 42.7 Ų | 42.7 | 0% | 0 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.3 | 160.6 | 161.1 | 65.7 | 0 | 0 | 0 | 0 | 110.3 | V837 P838 I839 W857 T858 I860 L932 | V837-C849 HydrophobicContact CG1-CB 3.92Å; P838-C849 WeakPolarHBondContact O-CA 3.2Å; P838-C849 VanDerWaalsContact O-CB 3.27Å; P838-C849 WeakPolarHBondContact O-CB 3.39Å; I839-C849 HydrophobicContact CG1-CB 4.13Å; C849-W857 WeakPolarHBondContact O-CA 3.25Å; C849-T858 PolarHBondContact N-O 3.48Å; C849-T858 PolarHBondContact O-N 3.21Å; C849-T858 PolarHBondContact O-OG1 2.89Å; C849-T858 PolarHBondContact SG-OG1 3.12Å; C849-I860 HydrophobicContact CB-CD1 4.21Å; C849-I860 VanDerWaalsContact SG-CG2 3.51Å; C849-L932 HydrophobicContact CB-CD2 3.96Å |
| 850 | F | 94.8 | Very high | 90.5 | Very high | 6 Ų | 6 | 42.9 Ų | 42.9 | 3% | 0.026 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.4 | 116.3 | 174.1 | -169.2 | -91.5 | 0 | 0 | 0 | 110.1 | V811 E814 P838 V852 E855 W857 | V811-F850 HydrophobicContact CG1-CD1 4.1Å; V811-F850 HydrophobicContact CG1-CE1 4.19Å; V811-F850 HydrophobicContact CG1-CG 4.37Å; V811-F850 HydrophobicContact CG2-CD1 3.61Å; V811-F850 HydrophobicContact CG2-CE1 4.06Å; V811-F850 HydrophobicContact CG2-CG 4.35Å; E814-F850 HydrophobicContact CB-CE2 4.45Å; E814-F850 HydrophobicContact CG-CD2 4.34Å; E814-F850 HydrophobicContact CG-CE2 3.71Å; E814-F850 HydrophobicContact CG-CZ 3.8Å; P838-F850 HydrophobicContact CG-CB 3.69Å; P838-F850 PolarHBondContact O-N 3.03Å; F850-V852 HydrophobicContact CD1-CG2 4.35Å; F850-V852 PolarHBondContact O-N 2.9Å; F850-E855 HydrophobicContact CZ-CB 4.44Å; F850-W857 HydrophobicContact CB-CD2 4.42Å; F850-W857 HydrophobicContact CB-CE3 4.16Å; F850-W857 HydrophobicContact CB-CH2 4.32Å; F850-W857 HydrophobicContact CB-CZ3 4.12Å; F850-W857 AromaticContact CD2-CD2 4Å; F850-W857 HydrophobicContact CD2-CD2 4Å; F850-W857 AromaticContact CD2-CE2 3.87Å; F850-W857 HydrophobicContact CD2-CG 4.15Å; F850-W857 HydrophobicContact CD2-CZ2 4.33Å; F850-W857 AromaticContact CD2-NE1 3.94Å |
| 851 | S | 90.3 | Very high | 90.1 | Very high | 11 Ų | 11 | 43.3 Ų | 43.3 | 8% | 0.077 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.2 | 99.6 | 177.4 | -176.1 | 0 | 0 | 0 | 0 | 109.9 | S853 L854 E855 T856 | S851-S853 PolarHBondContact O-N 3Å; S851-S853 VanDerWaalsContact O-N 3.13Å; S851-L854 CarbonylContact O-C 3.6Å; S851-L854 PolarHBondContact O-N 3.28Å; S851-E855 PolarHBondContact O-N 3.09Å; S851-T856 PolarHBondContact N-O 3.46Å |
| 852 | V | 87.9 | Confident | 89.9 | Confident | 43 Ų | 43 | 44.9 Ų | 44.9 | 26% | 0.261 | 25% | 0.252 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -56.9 | -29 | 179.9 | -179.8 | 0 | 0 | 0 | 0 | 112.3 | L810 V811 F850 | L810-V852 HydrophobicContact CB-CG2 4.28Å; V811-V852 HydrophobicContact CG2-CG2 4.06Å; F850-V852 HydrophobicContact CD1-CG2 4.35Å; F850-V852 PolarHBondContact O-N 2.9Å |
| 853 | S | 83.6 | Confident | 89.4 | Confident | 108 Ų | 108 | 50.7 Ų | 50.7 | 76% | 0.755 | 28% | 0.277 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80.9 | -13.9 | 178.1 | -54 | 0 | 0 | 0 | 0 | 114.5 | S851 | S851-S853 PolarHBondContact O-N 3Å; S851-S853 VanDerWaalsContact O-N 3.13Å |
| 854 | L | 85.3 | Confident | 88.8 | Confident | 111 Ų | 111 | 50.1 Ų | 50.1 | 58% | 0.581 | 28% | 0.281 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -120.5 | 2.2 | 179.8 | -58.1 | 176.3 | 0 | 0 | 0 | 112.3 | S851 T856 | S851-L854 CarbonylContact O-C 3.6Å; S851-L854 PolarHBondContact O-N 3.28Å; L854-T856 VanDerWaalsContact CB-OG1 3.3Å; L854-T856 WeakPolarHBondContact CB-OG1 3.38Å; L854-T856 WeakPolarHBondContact O-CB 3.37Å; L854-T856 WeakPolarHBondContact O-CG2 3.47Å; L854-T856 PolarHBondContact O-N 3.43Å; L854-T856 PolarHBondContact O-OG1 2.93Å |
| 855 | E | 88.8 | Confident | 88.5 | Confident | 159 Ų | 159 | 49.7 Ų | 49.7 | 74% | 0.743 | 28% | 0.279 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 44.5 | 37.8 | -176.4 | -59.5 | -174.5 | 154.2 | 0 | 0 | 113.7 | F850 S851 | F850-E855 HydrophobicContact CZ-CB 4.44Å; S851-E855 PolarHBondContact O-N 3.09Å |
| 856 | T | 90.6 | Very high | 87.5 | Confident | 69 Ų | 69 | 52.8 Ų | 52.8 | 42% | 0.423 | 30% | 0.298 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.9 | 153.5 | -170.5 | 39 | 0 | 0 | 0 | 0 | 113.9 | S851 L854 | S851-T856 PolarHBondContact N-O 3.46Å; L854-T856 VanDerWaalsContact CB-OG1 3.3Å; L854-T856 WeakPolarHBondContact CB-OG1 3.38Å; L854-T856 WeakPolarHBondContact O-CB 3.37Å; L854-T856 WeakPolarHBondContact O-CG2 3.47Å; L854-T856 PolarHBondContact O-N 3.43Å; L854-T856 PolarHBondContact O-OG1 2.93Å |
| 857 | W | 93.1 | Very high | 86.6 | Confident | 38 Ų | 38 | 52.7 Ų | 52.7 | 14% | 0.144 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.2 | 121.9 | 170.4 | -71.2 | 101.4 | 0 | 0 | 0 | 111.5 | L799 L816 T818 I819 I840 F848 C849 F850 | L799-W857 HydrophobicContact CD1-CH2 4.28Å; L816-W857 HydrophobicContact CD2-CH2 3.74Å; L816-W857 HydrophobicContact CD2-CZ2 3.51Å; T818-W857 PolarHBondContact OG1-NE1 2.93Å; I819-W857 HydrophobicContact CD1-CD2 4.47Å; I819-W857 HydrophobicContact CD1-CE3 4.3Å; I819-W857 HydrophobicContact CD1-CZ3 4.34Å; I819-W857 HydrophobicContact CG2-CB 3.56Å; I819-W857 HydrophobicContact CG2-CD2 3.8Å; I819-W857 HydrophobicContact CG2-CE3 4.26Å; I819-W857 HydrophobicContact CG2-CG 3.49Å; I819-W857 VanDerWaalsContact CG2-CG 3.49Å; I840-W857 HydrophobicContact CB-CH2 4.45Å; I840-W857 HydrophobicContact CB-CZ3 4.25Å; I840-W857 HydrophobicContact CG1-CH2 3.7Å; I840-W857 HydrophobicContact CG1-CZ3 3.91Å; F848-W857 HydrophobicContact CB-CE3 3.81Å; F848-W857 HydrophobicContact CB-CZ3 4.42Å; C849-W857 WeakPolarHBondContact O-CA 3.25Å; F850-W857 HydrophobicContact CB-CD2 4.42Å; F850-W857 HydrophobicContact CB-CE3 4.16Å; F850-W857 HydrophobicContact CB-CH2 4.32Å; F850-W857 HydrophobicContact CB-CZ3 4.12Å; F850-W857 AromaticContact CD2-CD2 4Å; F850-W857 HydrophobicContact CD2-CD2 4Å; F850-W857 AromaticContact CD2-CE2 3.87Å; F850-W857 HydrophobicContact CD2-CG 4.15Å; F850-W857 HydrophobicContact CD2-CZ2 4.33Å; F850-W857 AromaticContact CD2-NE1 3.94Å |
| 858 | T | 93.5 | Very high | 85.6 | Confident | 31 Ų | 31 | 54.1 Ų | 54.1 | 19% | 0.19 | 31% | 0.308 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.4 | 127.5 | 178.8 | 48.2 | 0 | 0 | 0 | 0 | 110.9 | F848 C849 I860 T931 | F848-T858 CarbonylContact C-O 3.46Å; F848-T858 VanDerWaalsContact CA-O 3.26Å; F848-T858 WeakPolarHBondContact CA-O 3.42Å; C849-T858 PolarHBondContact N-O 3.48Å; C849-T858 PolarHBondContact O-N 3.21Å; C849-T858 PolarHBondContact O-OG1 2.89Å; C849-T858 PolarHBondContact SG-OG1 3.12Å; T858-I860 PolarHBondContact O-N 3.23Å; T858-T931 HydrophobicContact CG2-CG2 4.38Å; T858-T931 WeakPolarHBondContact OG1-CG2 3.37Å |
| 859 | L | 92.6 | Very high | 84.4 | Confident | 86 Ų | 86 | 56.2 Ų | 56.2 | 45% | 0.45 | 32% | 0.318 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.4 | 122.7 | 173.7 | -177.6 | 70.6 | 0 | 0 | 0 | 109.6 | K846 F848 A861 D862 | K846-L859 HydrophobicContact CB-CD1 3.91Å; K846-L859 HydrophobicContact CG-CD1 4.31Å; F848-L859 HydrophobicContact CD1-CB 4.04Å; F848-L859 HydrophobicContact CD1-CD1 4.13Å; F848-L859 HydrophobicContact CE1-CB 3.96Å; F848-L859 HydrophobicContact CE1-CD1 3.79Å; F848-L859 HydrophobicContact CE1-CG 4.46Å; F848-L859 HydrophobicContact CE2-CD1 4.27Å; F848-L859 HydrophobicContact CZ-CD1 3.86Å; L859-A861 WeakPolarHBondContact CD1-O 3.31Å; L859-D862 HydrophobicContact CD2-CB 4.48Å |
| 860 | I | 91.5 | Very high | 83.2 | Confident | 6 Ų | 6 | 57.1 Ų | 57.1 | 3% | 0.031 | 33% | 0.325 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.6 | -13 | -178 | 53.9 | 164.9 | 0 | 0 | 0 | 113.4 | I839 S847 C849 T858 L889 V892 Q893 L932 | I839-I860 HydrophobicContact CG2-CD1 3.88Å; S847-I860 WeakPolarHBondContact O-CG1 3.11Å; S847-I860 PolarHBondContact O-N 3.17Å; C849-I860 HydrophobicContact CB-CD1 4.21Å; C849-I860 VanDerWaalsContact SG-CG2 3.51Å; T858-I860 PolarHBondContact O-N 3.23Å; I860-L889 HydrophobicContact CB-CD1 4.16Å; I860-L889 WeakPolarHBondContact O-CD1 3.38Å; I860-V892 HydrophobicContact CD1-CG1 4.18Å; I860-V892 HydrophobicContact CD1-CG2 4.45Å; I860-Q893 PolarHBondContact O-NE2 2.93Å; I860-Q893 VanDerWaalsContact O-NE2 3.1Å; I860-L932 HydrophobicContact CD1-CD1 3.96Å; I860-L932 HydrophobicContact CD1-CD2 3.95Å; I860-L932 HydrophobicContact CD1-CG 4.25Å |
| 861 | A | 88.1 | Confident | 82.4 | Confident | 9 Ų | 9 | 56.8 Ų | 56.8 | 7% | 0.074 | 32% | 0.323 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -156.2 | 139 | 173.6 | 0 | 0 | 0 | 0 | 0 | 110.2 | K846 S847 L859 V892 Q893 | K846-A861 CarbonylContact C-O 3.59Å; K846-A861 WeakPolarHBondContact CA-O 3.5Å; S847-A861 PolarHBondContact N-O 3.46Å; S847-A861 PolarHBondContact O-N 3.27Å; L859-A861 WeakPolarHBondContact CD1-O 3.31Å; A861-V892 HydrophobicContact CB-CG1 3.91Å; A861-Q893 HydrophobicContact CB-CG 3.61Å |
| 862 | D | 88 | Confident | 81.8 | Confident | 33 Ų | 33 | 58.6 Ų | 58.6 | 18% | 0.176 | 33% | 0.332 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.1 | 113.2 | 165 | -172.2 | -18.1 | 0 | 0 | 0 | 108.4 | K846 L859 G864 D865 | K846-D862 WeakPolarHBondContact CE-OD2 3.38Å; K846-D862 HydrophobicContact CG-CB 4.32Å; K846-D862 IonicContact NZ-OD2 3.9Å; K846-D862 PolarHBondContact NZ-OD2 2.84Å; L859-D862 HydrophobicContact CD2-CB 4.48Å; D862-G864 PolarHBondContact O-N 3.35Å; D862-G864 WeakPolarHBondContact OD1-CA 3.5Å; D862-G864 PolarHBondContact OD1-N 3.45Å; D862-D865 HydrophobicContact CB-CB 4.05Å; D862-D865 PolarHBondContact O-N 3.2Å |
| 863 | K | 79.3 | Confident | 81.3 | Confident | 123 Ų | 123 | 57.2 Ų | 57.2 | 54% | 0.535 | 32% | 0.322 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -71.6 | -15 | -179 | -69 | 172 | -178.8 | 168 | 0 | 112.6 | G845 V892 Q893 | G845-K863 PolarHBondContact O-N 3.47Å; G845-K863 VanDerWaalsContact O-N 3.09Å; K863-V892 VanDerWaalsContact CE-O 3.31Å; K863-V892 WeakPolarHBondContact CE-O 3.38Å; K863-V892 PolarHBondContact NZ-O 3.34Å; K863-Q893 WeakPolarHBondContact CE-O 3.35Å |
| 864 | G | 74.4 | Confident | 80.9 | Confident | 53 Ų | 53 | 57.9 Ų | 57.9 | 55% | 0.546 | 31% | 0.309 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -90.9 | -5.5 | 174.1 | 0 | 0 | 0 | 0 | 0 | 114.9 | D862 S866 | D862-G864 PolarHBondContact O-N 3.35Å; D862-G864 WeakPolarHBondContact OD1-CA 3.5Å; D862-G864 PolarHBondContact OD1-N 3.45Å; G864-S866 PolarHBondContact O-N 3.21Å |
| 865 | D | 78.9 | Confident | 80.2 | Confident | 47 Ų | 47 | 56.8 Ų | 56.8 | 25% | 0.251 | 31% | 0.31 | S | S | . | . | trans | -72.9 | 116.9 | -176.7 | -179 | 11.3 | 0 | 0 | 0 | 112.4 | D862 L867 V868 | D862-D865 HydrophobicContact CB-CB 4.05Å; D862-D865 PolarHBondContact O-N 3.2Å; D865-L867 PolarHBondContact O-N 3.17Å; D865-L867 WeakPolarHBondContact OD1-CB 3.35Å; D865-L867 WeakPolarHBondContact OD1-CG 3.49Å; D865-L867 PolarHBondContact OD1-N 2.97Å; D865-V868 HydrophobicContact CB-CG2 4.05Å; D865-V868 PolarHBondContact O-N 2.59Å | ||
| 866 | S | 65.6 | Low | 79.6 | Confident | 81 Ų | 81 | 49.3 Ų | 49.3 | 57% | 0.566 | 28% | 0.275 | S | S | * | . | H | α-helix | trans | -57.5 | -31.7 | 174.7 | -57.6 | 0 | 0 | 0 | 0 | 113.2 | G864 V868 Q869 C870 | G864-S866 PolarHBondContact O-N 3.21Å; S866-V868 VanDerWaalsContact C-N 3.34Å; S866-V868 PolarHBondContact O-N 2.98Å; S866-Q869 PolarHBondContact O-N 3.14Å; S866-C870 WeakPolarHBondContact O-CB 3.34Å; S866-C870 PolarHBondContact O-N 2.72Å; S866-C870 PolarHBondContact O-SG 3.47Å |
| 867 | L | 69.9 | Low | 79 | Confident | 62 Ų | 62 | 48.4 Ų | 48.4 | 33% | 0.325 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -61.8 | -43.6 | 179.2 | -59.8 | 174.1 | 0 | 0 | 0 | 111 | D865 Q869 C870 A871 M917 | D865-L867 PolarHBondContact O-N 3.17Å; D865-L867 WeakPolarHBondContact OD1-CB 3.35Å; D865-L867 WeakPolarHBondContact OD1-CG 3.49Å; D865-L867 PolarHBondContact OD1-N 2.97Å; L867-Q869 VanDerWaalsContact C-N 3.27Å; L867-Q869 PolarHBondContact O-N 3.38Å; L867-C870 PolarHBondContact O-N 2.73Å; L867-A871 WeakPolarHBondContact O-CB 3.48Å; L867-A871 PolarHBondContact O-N 2.96Å; L867-M917 HydrophobicContact CD2-CB 4.32Å; L867-M917 HydrophobicContact CD2-CG 3.78Å |
| 868 | V | 71.1 | Confident | 77.7 | Confident | 33 Ų | 33 | 49.5 Ų | 49.5 | 20% | 0.2 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -61.9 | -34.5 | 176.6 | -179.8 | 0 | 0 | 0 | 0 | 111.6 | D865 S866 L897 A899 F921 | D865-V868 HydrophobicContact CB-CG2 4.05Å; D865-V868 PolarHBondContact O-N 2.59Å; S866-V868 VanDerWaalsContact C-N 3.34Å; S866-V868 PolarHBondContact O-N 2.98Å; V868-L897 HydrophobicContact CG1-CD2 4.4Å; V868-A899 WeakPolarHBondContact O-CA 3.43Å; V868-A899 WeakPolarHBondContact O-CB 3.29Å; V868-F921 HydrophobicContact CB-CD2 4.38Å; V868-F921 HydrophobicContact CB-CE2 4.44Å; V868-F921 HydrophobicContact CG1-CD2 4.39Å; V868-F921 HydrophobicContact CG1-CE2 3.97Å; V868-F921 HydrophobicContact CG2-CD2 4.04Å; V868-F921 HydrophobicContact CG2-CE2 4.23Å |
| 869 | Q | 70.1 | Confident | 75.9 | Confident | 71 Ų | 71 | 54.1 Ų | 54.1 | 33% | 0.332 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -79.9 | -31.2 | -178.1 | -57.4 | -175.9 | 24.9 | 0 | 0 | 112.9 | S866 L867 L902 | S866-Q869 PolarHBondContact O-N 3.14Å; L867-Q869 VanDerWaalsContact C-N 3.27Å; L867-Q869 PolarHBondContact O-N 3.38Å; Q869-L902 HydrophobicContact CB-CD1 4.16Å |
| 870 | C | 70.8 | Confident | 73.9 | Confident | 19 Ų | 19 | 57.9 Ų | 57.9 | 13% | 0.128 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -90.8 | -19.4 | -178.1 | -63.5 | 0 | 0 | 0 | 0 | 114.5 | S866 L867 L906 M917 | S866-C870 WeakPolarHBondContact O-CB 3.34Å; S866-C870 PolarHBondContact O-N 2.72Å; S866-C870 PolarHBondContact O-SG 3.47Å; L867-C870 PolarHBondContact O-N 2.73Å; C870-L906 HydrophobicContact CB-CD1 4.08Å; C870-L906 WeakPolarHBondContact SG-CD1 3.42Å; C870-M917 HydrophobicContact CB-SD 3.63Å |
| 871 | A | 77.8 | Confident | 71.7 | Confident | 0 Ų | 0 | 65.8 Ų | 65.8 | 0% | 0 | 37% | 0.371 | C | S | . | . | trans | -60.5 | 134.9 | 178.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | L867 G900 F921 | L867-A871 WeakPolarHBondContact O-CB 3.48Å; L867-A871 PolarHBondContact O-N 2.96Å; A871-G900 WeakPolarHBondContact O-CA 3.41Å; A871-G900 PolarHBondContact O-N 2.98Å; A871-F921 HydrophobicContact CB-CB 3.69Å; A871-F921 HydrophobicContact CB-CD1 3.9Å; A871-F921 HydrophobicContact CB-CG 3.77Å | ||
| 872 | D | 78 | Confident | 69.9 | Low | 49 Ų | 49 | 67.4 Ų | 67.4 | 26% | 0.262 | 38% | 0.384 | S | S | . | . | trans | -125 | 79.4 | 177.7 | -166.2 | 2.1 | 0 | 0 | 0 | 112.2 | R874 A903 T918 | D872-R874 VanDerWaalsContact C-N 3.33Å; D872-R874 WeakPolarHBondContact OD1-CB 3.45Å; D872-R874 PolarHBondContact OD1-N 3.02Å; D872-A903 HydrophobicContact CB-CB 3.79Å; D872-T918 PolarHBondContact N-OG1 3.02Å | ||
| 873 | F | 77.4 | Confident | 68.2 | Low | 13 Ų | 13 | 70 Ų | 70 | 6% | 0.057 | 41% | 0.41 | C | S | . | . | trans | -91 | 7.4 | 170.9 | 67.4 | -87 | 0 | 0 | 0 | 112.5 | S875 C876 L877 A899 T918 F921 L922 W941 I944 | F873-S875 VanDerWaalsContact C-N 3.29Å; F873-S875 PolarHBondContact O-N 3.46Å; F873-C876 WeakPolarHBondContact O-CA 3.21Å; F873-C876 WeakPolarHBondContact O-CB 3.4Å; F873-C876 PolarHBondContact O-N 3.11Å; F873-L877 HydrophobicContact CD2-CD2 4.24Å; F873-L877 HydrophobicContact CD2-CG 4.31Å; F873-L877 HydrophobicContact CE2-CD1 4.36Å; F873-L877 HydrophobicContact CE2-CD2 4.13Å; F873-L877 HydrophobicContact CE2-CG 4.4Å; F873-A899 HydrophobicContact CE1-CB 3.74Å; F873-A899 HydrophobicContact CZ-CB 4.46Å; F873-T918 HydrophobicContact CB-CG2 4.06Å; F873-F921 AromaticContact CD1-CD1 3.9Å; F873-F921 HydrophobicContact CD1-CD1 3.9Å; F873-F921 AromaticContact CD1-CE1 3.52Å; F873-F921 HydrophobicContact CD1-CE1 3.52Å; F873-F921 HydrophobicContact CE1-CD1 4.18Å; F873-F921 AromaticContact CE1-CE1 3.37Å; F873-F921 HydrophobicContact CE1-CE1 3.37Å; F873-F921 AromaticContact CE1-CZ 3.99Å; F873-F921 HydrophobicContact CE1-CZ 3.99Å; F873-F921 HydrophobicContact CG-CE1 4.43Å; F873-F921 HydrophobicContact CZ-CE1 4.2Å; F873-L922 HydrophobicContact CB-CD1 4.21Å; F873-L922 HydrophobicContact CB-CD2 4.09Å; F873-L922 HydrophobicContact CB-CG 4.47Å; F873-L922 HydrophobicContact CG-CD2 4.29Å; F873-W941 HydrophobicContact CD2-CZ3 4.26Å; F873-W941 HydrophobicContact CE2-CH2 4.09Å; F873-W941 AromaticContact CE2-CZ3 3.93Å; F873-W941 HydrophobicContact CE2-CZ3 3.93Å; F873-W941 AromaticContact CZ-CH2 3.93Å; F873-W941 HydrophobicContact CZ-CH2 3.93Å; F873-W941 HydrophobicContact CZ-CZ3 4.07Å; F873-I944 HydrophobicContact CB-CG2 4.1Å; F873-I944 HydrophobicContact CD2-CG2 4Å; F873-I944 HydrophobicContact CG-CG2 4.4Å | ||
| 874 | R | 74.4 | Confident | 67.4 | Low | 123 Ų | 123 | 67.9 Ų | 67.9 | 46% | 0.464 | 42% | 0.416 | S | S | . | . | G | 310 helix | trans | -67.8 | -32 | -172.8 | -68.9 | -178.3 | 172 | -87.2 | -9 | 112.2 | D872 C876 L877 A899 | D872-R874 VanDerWaalsContact C-N 3.33Å; D872-R874 WeakPolarHBondContact OD1-CB 3.45Å; D872-R874 PolarHBondContact OD1-N 3.02Å; R874-C876 PolarHBondContact O-N 3.25Å; R874-L877 PolarHBondContact O-N 2.88Å; R874-A899 PolarHBondContact NE-O 3.47Å; R874-A899 VanDerWaalsContact NE-O 3.1Å; R874-A899 PolarHBondContact NH2-O 3.47Å |
| 875 | S | 69.8 | Low | 67.1 | Low | 87 Ų | 87 | 66.5 Ų | 66.5 | 61% | 0.608 | 40% | 0.398 | S | S | * | . | G | 310 helix | trans | -60.1 | -18.3 | 168.4 | 56.8 | 0 | 0 | 0 | 0 | 114.4 | F873 | F873-S875 VanDerWaalsContact C-N 3.29Å; F873-S875 PolarHBondContact O-N 3.46Å |
| 876 | C | 76.9 | Confident | 66.8 | Low | 2 Ų | 2 | 68.7 Ų | 68.7 | 1% | 0.014 | 42% | 0.416 | C | S | . | . | G | 310 helix | trans | -102 | 0.2 | -176.9 | -57.4 | 0 | 0 | 0 | 0 | 113 | F873 R874 I944 R947 N951 | F873-C876 WeakPolarHBondContact O-CA 3.21Å; F873-C876 WeakPolarHBondContact O-CB 3.4Å; F873-C876 PolarHBondContact O-N 3.11Å; R874-C876 PolarHBondContact O-N 3.25Å; C876-I944 HydrophobicContact CB-CG2 4.14Å; C876-R947 HydrophobicContact CB-CB 4.01Å; C876-R947 WeakPolarHBondContact O-CD 3.35Å; C876-N951 PolarHBondContact SG-ND2 3.34Å |
| 877 | L | 77.1 | Confident | 67.7 | Low | 50 Ų | 50 | 65.6 Ų | 65.6 | 26% | 0.262 | 40% | 0.397 | S | S | . | . | S | Bend | trans | -78.1 | 149.9 | 175.1 | -67.8 | 172.8 | 0 | 0 | 0 | 111.5 | F873 R874 I944 | F873-L877 HydrophobicContact CD2-CD2 4.24Å; F873-L877 HydrophobicContact CD2-CG 4.31Å; F873-L877 HydrophobicContact CE2-CD1 4.36Å; F873-L877 HydrophobicContact CE2-CD2 4.13Å; F873-L877 HydrophobicContact CE2-CG 4.4Å; R874-L877 PolarHBondContact O-N 2.88Å; L877-I944 HydrophobicContact CD2-CD1 3.74Å; L877-I944 HydrophobicContact CD2-CG1 4.36Å |
| 878 | P | 67 | Low | 68.5 | Low | 61 Ų | 61 | 64.1 Ų | 64.1 | 40% | 0.396 | 39% | 0.391 | S | S | . | . | trans | -58.6 | 145.3 | 169.1 | -23.5 | 34.2 | 0 | 0 | 0 | 112.6 | Q880 A882 | P878-Q880 VanDerWaalsContact C-N 3.29Å; P878-Q880 PolarHBondContact O-N 2.81Å; P878-A882 HydrophobicContact CG-CB 4.39Å | ||
| 879 | S | 56 | Low | 69.4 | Low | 129 Ų | 129 | 62.5 Ų | 62.5 | 90% | 0.902 | 38% | 0.382 | S | S | * | . | S | Bend | trans | -83.3 | 4.8 | -177.6 | 50.6 | 0 | 0 | 0 | 0 | 115.1 | ||
| 880 | Q | 50.4 | Low | 70.1 | Confident | 165 Ų | 165 | 59.7 Ų | 59.7 | 77% | 0.771 | 37% | 0.371 | S | S | * | . | S | Bend | trans | -127 | 143.8 | 170.2 | -68.4 | -174.7 | -13 | 0 | 0 | 108.5 | P878 A882 | P878-Q880 VanDerWaalsContact C-N 3.29Å; P878-Q880 PolarHBondContact O-N 2.81Å; Q880-A882 PolarHBondContact O-N 2.76Å |
| 881 | D | 45 | Very low | 70.8 | Confident | 172 Ų | 172 | 62.9 Ų | 62.9 | 92% | 0.92 | 39% | 0.389 | S | S | * | . | trans | -31.5 | 90.1 | -165.9 | -70.1 | -56 | 0 | 0 | 0 | 115.3 | A883 | D881-A883 PolarHBondContact O-N 3.02Š| ||
| 882 | A | 49.6 | Very low | 71.2 | Confident | 42 Ų | 42 | 62.9 Ų | 62.9 | 35% | 0.347 | 39% | 0.39 | S | S | . | . | trans | -69.6 | 101.8 | 176.9 | 0 | 0 | 0 | 0 | 0 | 108.8 | P878 Q880 A884 | P878-A882 HydrophobicContact CG-CB 4.39Å; Q880-A882 PolarHBondContact O-N 2.76Å; A882-A884 PolarHBondContact O-N 2.89Å | ||
| 883 | A | 53.5 | Low | 71.4 | Confident | 88 Ų | 88 | 61.9 Ų | 61.9 | 73% | 0.727 | 38% | 0.383 | S | S | * | . | trans | -50.4 | 112.8 | 175.4 | 0 | 0 | 0 | 0 | 0 | 109.8 | D881 S885 | D881-A883 PolarHBondContact O-N 3.02Å; A883-S885 PolarHBondContact O-N 2.94Å | ||
| 884 | A | 61.9 | Low | 71.1 | Confident | 79 Ų | 79 | 62.4 Ų | 62.4 | 65% | 0.653 | 39% | 0.393 | S | S | * | . | trans | -58.5 | 127.8 | -173.8 | 0 | 0 | 0 | 0 | 0 | 109.9 | A882 S886 | A882-A884 PolarHBondContact O-N 2.89Å; A884-S886 PolarHBondContact O-N 3.43Å; A884-S886 VanDerWaalsContact O-N 3.09Å | ||
| 885 | S | 68.3 | Low | 70.2 | Confident | 24 Ų | 24 | 67.4 Ų | 67.4 | 17% | 0.168 | 41% | 0.411 | C | S | . | . | trans | -48 | 114.6 | -171.6 | 58 | 0 | 0 | 0 | 0 | 112.5 | A883 A890 | A883-S885 PolarHBondContact O-N 2.94Å; S885-A890 WeakPolarHBondContact O-CB 3.27Å | ||
| 886 | S | 71.9 | Confident | 69.3 | Low | 92 Ų | 92 | 70 Ų | 70 | 64% | 0.643 | 42% | 0.418 | S | S | * | . | trans | -98.7 | 93.5 | -177 | 59.6 | 0 | 0 | 0 | 0 | 111.3 | A884 | A884-S886 PolarHBondContact O-N 3.43Å; A884-S886 VanDerWaalsContact O-N 3.09Å | ||
| 887 | G | 85.2 | Confident | 68.5 | Low | 16 Ų | 16 | 71.9 Ų | 71.9 | 17% | 0.165 | 43% | 0.428 | C | S | . | . | S | Bend | trans | -164.9 | -173.3 | 175.1 | 0 | 0 | 0 | 0 | 0 | 114.3 | L889 A890 V891 E937 | G887-L889 VanDerWaalsContact C-N 3.29Å; G887-L889 PolarHBondContact O-N 3.28Å; G887-A890 PolarHBondContact O-N 3.28Å; G887-V891 WeakPolarHBondContact O-CG2 3.42Å; G887-V891 PolarHBondContact O-N 3.33Å; G887-E937 VanDerWaalsContact CA-OE1 3.28Å; G887-E937 WeakPolarHBondContact CA-OE1 3.21Å; G887-E937 PolarHBondContact N-OE1 3.2Å |
| 888 | P | 87.1 | Confident | 67.4 | Low | 31 Ų | 31 | 73.8 Ų | 73.8 | 20% | 0.201 | 44% | 0.439 | C | S | . | . | H | α-helix | trans | -57.7 | -37.2 | -176.7 | -26.1 | 35.3 | 0 | 0 | 0 | 113.7 | T833 I839 V891 V892 L932 E937 | T833-P888 HydrophobicContact CG2-CB 3.85Å; T833-P888 HydrophobicContact CG2-CG 3.7Å; I839-P888 HydrophobicContact CD1-CB 3.97Å; P888-V891 PolarHBondContact O-N 3.48Å; P888-V892 WeakPolarHBondContact O-CB 3.49Å; P888-V892 WeakPolarHBondContact O-CG2 3.48Å; P888-V892 PolarHBondContact O-N 3.36Å; P888-V892 VanDerWaalsContact O-N 3.11Å; P888-L932 HydrophobicContact CB-CD1 4.37Å; P888-L932 HydrophobicContact CB-CD2 4.36Å; P888-E937 VanDerWaalsContact CD-OE2 3.31Å; P888-E937 WeakPolarHBondContact CD-OE2 3.45Å |
| 889 | L | 88.6 | Confident | 66.8 | Low | 0 Ų | 0 | 70.9 Ų | 70.9 | 0% | 0 | 42% | 0.42 | C | S | . | . | H | α-helix | trans | -66.6 | -46.2 | -178.9 | -170.4 | 60.4 | 0 | 0 | 0 | 110.8 | I860 G887 V891 V892 Q893 A929 L932 E937 | I860-L889 HydrophobicContact CB-CD1 4.16Å; I860-L889 WeakPolarHBondContact O-CD1 3.38Å; G887-L889 VanDerWaalsContact C-N 3.29Å; G887-L889 PolarHBondContact O-N 3.28Å; L889-V891 VanDerWaalsContact C-N 3.35Å; L889-V891 PolarHBondContact O-N 3.3Å; L889-V892 PolarHBondContact O-N 2.9Å; L889-Q893 HydrophobicContact CD1-CG 4.25Å; L889-Q893 HydrophobicContact CG-CG 4.45Å; L889-Q893 WeakPolarHBondContact O-CB 3.39Å; L889-Q893 WeakPolarHBondContact O-CG 3.36Å; L889-Q893 PolarHBondContact O-N 2.9Å; L889-A929 HydrophobicContact CD2-CB 4.32Å; L889-L932 HydrophobicContact CB-CD1 3.7Å; L889-L932 HydrophobicContact CD1-CD1 3.78Å; L889-L932 HydrophobicContact CG-CD1 4.3Å; L889-E937 WeakPolarHBondContact CB-OE1 3.4Å; L889-E937 WeakPolarHBondContact CB-OE2 3.47Å; L889-E937 PolarHBondContact N-OE1 3.17Å; L889-E937 PolarHBondContact N-OE2 3.32Å |
| 890 | A | 85.1 | Confident | 66.6 | Low | 12 Ų | 12 | 65.1 Ų | 65.1 | 10% | 0.099 | 38% | 0.381 | C | S | . | . | H | α-helix | trans | -68.3 | -29 | 178 | 0 | 0 | 0 | 0 | 0 | 113.8 | S885 G887 G894 R895 E937 | S885-A890 WeakPolarHBondContact O-CB 3.27Å; G887-A890 PolarHBondContact O-N 3.28Å; A890-G894 CarbonylContact O-C 3.43Å; A890-G894 VanDerWaalsContact O-CA 3.26Å; A890-G894 WeakPolarHBondContact O-CA 3.4Å; A890-G894 PolarHBondContact O-N 3.43Å; A890-R895 PolarHBondContact O-N 2.95Å; A890-E937 WeakPolarHBondContact CB-OE1 3.31Å; A890-E937 PolarHBondContact N-OE1 3.34Å |
| 891 | V | 85.9 | Confident | 66.8 | Low | 85 Ų | 85 | 65.1 Ų | 65.1 | 52% | 0.515 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -66.3 | -45.5 | 171 | 168.6 | 0 | 0 | 0 | 0 | 110.8 | L831 G887 P888 L889 | L831-V891 HydrophobicContact CD1-CG1 3.93Å; G887-V891 WeakPolarHBondContact O-CG2 3.42Å; G887-V891 PolarHBondContact O-N 3.33Å; P888-V891 PolarHBondContact O-N 3.48Å; L889-V891 VanDerWaalsContact C-N 3.35Å; L889-V891 PolarHBondContact O-N 3.3Å |
| 892 | V | 86.2 | Confident | 67.2 | Low | 1 Ų | 1 | 60 Ų | 60 | 1% | 0.006 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -69.2 | -48.6 | -177.8 | 169.9 | 0 | 0 | 0 | 0 | 112 | L829 L831 I839 S847 I860 A861 K863 P888 L889 G894 | L829-V892 HydrophobicContact CD2-CG2 4.38Å; L831-V892 HydrophobicContact CD1-CG2 4.45Å; I839-V892 HydrophobicContact CD1-CG2 4.08Å; I839-V892 HydrophobicContact CG2-CG2 3.84Å; S847-V892 WeakPolarHBondContact OG-CG1 3.18Å; I860-V892 HydrophobicContact CD1-CG1 4.18Å; I860-V892 HydrophobicContact CD1-CG2 4.45Å; A861-V892 HydrophobicContact CB-CG1 3.91Å; K863-V892 VanDerWaalsContact CE-O 3.31Å; K863-V892 WeakPolarHBondContact CE-O 3.38Å; K863-V892 PolarHBondContact NZ-O 3.34Å; P888-V892 WeakPolarHBondContact O-CB 3.49Å; P888-V892 WeakPolarHBondContact O-CG2 3.48Å; P888-V892 PolarHBondContact O-N 3.36Å; P888-V892 VanDerWaalsContact O-N 3.11Å; L889-V892 PolarHBondContact O-N 2.9Å; V892-G894 VanDerWaalsContact C-N 3.29Å |
| 893 | Q | 82.1 | Confident | 67.4 | Low | 27 Ų | 27 | 58.4 Ų | 58.4 | 13% | 0.126 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -68.8 | -31.6 | 177.6 | -67.7 | -179.1 | -10 | 0 | 0 | 111.5 | I860 A861 K863 L889 L897 | I860-Q893 PolarHBondContact O-NE2 2.93Å; I860-Q893 VanDerWaalsContact O-NE2 3.1Å; A861-Q893 HydrophobicContact CB-CG 3.61Å; K863-Q893 WeakPolarHBondContact CE-O 3.35Å; L889-Q893 HydrophobicContact CD1-CG 4.25Å; L889-Q893 HydrophobicContact CG-CG 4.45Å; L889-Q893 WeakPolarHBondContact O-CB 3.39Å; L889-Q893 WeakPolarHBondContact O-CG 3.36Å; L889-Q893 PolarHBondContact O-N 2.9Å; Q893-L897 HydrophobicContact CB-CD2 4Å; Q893-L897 HydrophobicContact CB-CG 4.44Å |
| 894 | G | 71.8 | Confident | 67.5 | Low | 25 Ų | 25 | 59 Ų | 59 | 26% | 0.258 | 33% | 0.331 | S | S | . | . | trans | 98.7 | 137.6 | -179.1 | 0 | 0 | 0 | 0 | 0 | 111.6 | A890 V892 N896 L897 | A890-G894 CarbonylContact O-C 3.43Å; A890-G894 VanDerWaalsContact O-CA 3.26Å; A890-G894 WeakPolarHBondContact O-CA 3.4Å; A890-G894 PolarHBondContact O-N 3.43Å; V892-G894 VanDerWaalsContact C-N 3.29Å; G894-N896 CarbonylContact O-C 3.5Å; G894-N896 PolarHBondContact O-N 2.78Å; G894-L897 PolarHBondContact O-N 3.38Å | ||
| 895 | R | 55.3 | Low | 66.9 | Low | 227 Ų | 227 | 64.5 Ų | 64.5 | 86% | 0.857 | 34% | 0.335 | S | S | * | . | S | Bend | trans | -53.7 | -25.2 | -173.7 | -67.1 | -177 | 178.2 | 178.1 | -1.2 | 114.8 | A890 | A890-R895 PolarHBondContact O-N 2.95Š|
| 896 | N | 51.3 | Low | 66.2 | Low | 141 Ų | 141 | 65.8 Ų | 65.8 | 75% | 0.754 | 34% | 0.34 | S | S | * | . | S | Bend | trans | -104.5 | 75.8 | 172.5 | -73 | -31.8 | 0 | 0 | 0 | 110.6 | G894 N898 | G894-N896 CarbonylContact O-C 3.5Å; G894-N896 PolarHBondContact O-N 2.78Å; N896-N898 PolarHBondContact O-N 2.87Å |
| 897 | L | 59.7 | Low | 65.4 | Low | 43 Ų | 43 | 67.3 Ų | 67.3 | 23% | 0.225 | 35% | 0.35 | C | S | . | . | trans | -55.9 | 109.3 | 163.3 | -87 | 167.9 | 0 | 0 | 0 | 108.8 | V868 Q893 G894 A899 W941 | V868-L897 HydrophobicContact CG1-CD2 4.4Å; Q893-L897 HydrophobicContact CB-CD2 4Å; Q893-L897 HydrophobicContact CB-CG 4.44Å; G894-L897 PolarHBondContact O-N 3.38Å; L897-A899 PolarHBondContact O-N 2.85Å; L897-W941 HydrophobicContact CD1-CH2 4.23Å; L897-W941 HydrophobicContact CD1-CZ2 4.16Å | ||
| 898 | N | 54.4 | Low | 64.1 | Low | 89 Ų | 89 | 71.7 Ų | 71.7 | 48% | 0.476 | 38% | 0.379 | S | S | . | . | trans | -70.4 | 4.3 | 177.3 | -78.2 | -51.1 | 0 | 0 | 0 | 113.2 | N896 R901 | N896-N898 PolarHBondContact O-N 2.87Å; N898-R901 VanDerWaalsContact O-CB 3.25Å; N898-R901 WeakPolarHBondContact O-CB 3.22Å; N898-R901 WeakPolarHBondContact O-CG 3.42Å; N898-R901 PolarHBondContact O-N 2.95Å; N898-R901 VanDerWaalsContact OD1-CD 3.29Å; N898-R901 WeakPolarHBondContact OD1-CD 3.42Å; N898-R901 PolarHBondContact OD1-NE 3.45Å; N898-R901 PolarHBondContact OD1-NH1 3.45Å | ||
| 899 | A | 53.5 | Low | 63 | Low | 1 Ų | 1 | 71.9 Ų | 71.9 | 1% | 0.008 | 38% | 0.38 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -51 | 139.1 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | V868 F873 R874 L897 R901 | V868-A899 WeakPolarHBondContact O-CA 3.43Å; V868-A899 WeakPolarHBondContact O-CB 3.29Å; F873-A899 HydrophobicContact CE1-CB 3.74Å; F873-A899 HydrophobicContact CZ-CB 4.46Å; R874-A899 PolarHBondContact NE-O 3.47Å; R874-A899 VanDerWaalsContact NE-O 3.1Å; R874-A899 PolarHBondContact NH2-O 3.47Å; L897-A899 PolarHBondContact O-N 2.85Å; A899-R901 VanDerWaalsContact C-N 3.26Å; A899-R901 PolarHBondContact O-N 3.5Å |
| 900 | G | 52.3 | Low | 62.3 | Low | 7 Ų | 7 | 75.1 Ų | 75.1 | 7% | 0.072 | 40% | 0.4 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 76.2 | -6.3 | -173.2 | 0 | 0 | 0 | 0 | 0 | 115.8 | A871 L902 | A871-G900 WeakPolarHBondContact O-CA 3.41Å; A871-G900 PolarHBondContact O-N 2.98Å; G900-L902 VanDerWaalsContact C-N 3.35Å |
| 901 | R | 54.3 | Low | 61.9 | Low | 165 Ų | 165 | 80.4 Ų | 80.4 | 62% | 0.623 | 42% | 0.423 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.5 | -24.7 | 176.8 | -76 | -171.6 | 168.7 | -172.7 | -9.3 | 114.1 | N898 A899 | N898-R901 VanDerWaalsContact O-CB 3.25Å; N898-R901 WeakPolarHBondContact O-CB 3.22Å; N898-R901 WeakPolarHBondContact O-CG 3.42Å; N898-R901 PolarHBondContact O-N 2.95Å; N898-R901 VanDerWaalsContact OD1-CD 3.29Å; N898-R901 WeakPolarHBondContact OD1-CD 3.42Å; N898-R901 PolarHBondContact OD1-NE 3.45Å; N898-R901 PolarHBondContact OD1-NH1 3.45Å; A899-R901 VanDerWaalsContact C-N 3.26Å; A899-R901 PolarHBondContact O-N 3.5Å |
| 902 | L | 53.1 | Low | 61.6 | Low | 66 Ų | 66 | 82.1 Ų | 82.1 | 35% | 0.346 | 43% | 0.425 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -97.2 | -24.9 | 172.9 | -64.7 | -174.7 | 0 | 0 | 0 | 112.7 | Q869 G900 S904 R905 L906 | Q869-L902 HydrophobicContact CB-CD1 4.16Å; G900-L902 VanDerWaalsContact C-N 3.35Å; L902-S904 VanDerWaalsContact C-N 3.3Å; L902-S904 PolarHBondContact O-N 3.04Å; L902-R905 CarbonylContact O-C 3.56Å; L902-R905 WeakPolarHBondContact O-CA 3.46Å; L902-R905 WeakPolarHBondContact O-CB 3.36Å; L902-R905 PolarHBondContact O-N 3.44Å; L902-L906 HydrophobicContact CB-CD1 4.28Å; L902-L906 VanDerWaalsContact O-CG 3.28Å; L902-L906 WeakPolarHBondContact O-CG 3.43Å; L902-L906 PolarHBondContact O-N 2.92Å; L902-L906 VanDerWaalsContact O-N 3.14Å |
| 903 | A | 54.6 | Low | 61.3 | Low | 7 Ų | 7 | 85.6 Ų | 85.6 | 6% | 0.058 | 44% | 0.443 | C | S | . | . | G | 310 helix | trans | -49.4 | -48.1 | 174.5 | 0 | 0 | 0 | 0 | 0 | 112.8 | D872 R905 L906 | D872-A903 HydrophobicContact CB-CB 3.79Å; A903-R905 PolarHBondContact O-N 3.47Å; A903-R905 VanDerWaalsContact O-N 3.13Å; A903-L906 PolarHBondContact O-N 3.42Å; A903-L906 VanDerWaalsContact O-N 3.15Å |
| 904 | S | 54.4 | Low | 61.3 | Low | 101 Ų | 101 | 86.1 Ų | 86.1 | 71% | 0.706 | 45% | 0.446 | S | S | * | . | G | 310 helix | trans | -68.5 | -8 | 177.5 | 59.7 | 0 | 0 | 0 | 0 | 115.2 | L902 | L902-S904 VanDerWaalsContact C-N 3.3Å; L902-S904 PolarHBondContact O-N 3.04Å |
| 905 | R | 50.7 | Low | 61.8 | Low | 194 Ų | 194 | 87.3 Ų | 87.3 | 73% | 0.732 | 44% | 0.444 | S | S | * | . | G | 310 helix | trans | -105.1 | -9.4 | 175.5 | -59.8 | -174.9 | 177.5 | -163.2 | -3.2 | 113.1 | L902 A903 S907 | L902-R905 CarbonylContact O-C 3.56Å; L902-R905 WeakPolarHBondContact O-CA 3.46Å; L902-R905 WeakPolarHBondContact O-CB 3.36Å; L902-R905 PolarHBondContact O-N 3.44Å; A903-R905 PolarHBondContact O-N 3.47Å; A903-R905 VanDerWaalsContact O-N 3.13Å; R905-S907 VanDerWaalsContact C-N 3.28Å; R905-S907 PolarHBondContact O-N 3.29Å |
| 906 | L | 53.8 | Low | 63.3 | Low | 52 Ų | 52 | 80 Ų | 80 | 27% | 0.272 | 43% | 0.428 | S | S | . | . | trans | -92.3 | 38.4 | -171.6 | -80.3 | 168 | 0 | 0 | 0 | 112.8 | C870 L902 A903 S908 T909 | C870-L906 HydrophobicContact CB-CD1 4.08Å; C870-L906 WeakPolarHBondContact SG-CD1 3.42Å; L902-L906 HydrophobicContact CB-CD1 4.28Å; L902-L906 VanDerWaalsContact O-CG 3.28Å; L902-L906 WeakPolarHBondContact O-CG 3.43Å; L902-L906 PolarHBondContact O-N 2.92Å; L902-L906 VanDerWaalsContact O-N 3.14Å; A903-L906 PolarHBondContact O-N 3.42Å; A903-L906 VanDerWaalsContact O-N 3.15Å; L906-S908 PolarHBondContact O-N 2.91Å; L906-T909 VanDerWaalsContact O-CB 3.25Å; L906-T909 WeakPolarHBondContact O-CB 3.36Å; L906-T909 PolarHBondContact O-N 2.84Å; L906-T909 PolarHBondContact O-OG1 2.96Å; L906-T909 VanDerWaalsContact O-OG1 3.05Å | ||
| 907 | S | 53.3 | Low | 64.9 | Low | 123 Ų | 123 | 75.4 Ų | 75.4 | 86% | 0.86 | 40% | 0.403 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.4 | -10.1 | -176.1 | 56.2 | 0 | 0 | 0 | 0 | 115.7 | R905 | R905-S907 VanDerWaalsContact C-N 3.28Å; R905-S907 PolarHBondContact O-N 3.29Å |
| 908 | S | 58.8 | Low | 66.2 | Low | 109 Ų | 109 | 73.5 Ų | 73.5 | 76% | 0.762 | 39% | 0.393 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -88.3 | -6 | 170.8 | 53.5 | 0 | 0 | 0 | 0 | 114.3 | L906 | L906-S908 PolarHBondContact O-N 2.91Š|
| 909 | T | 64.1 | Low | 67.9 | Low | 35 Ų | 35 | 70.3 Ų | 70.3 | 22% | 0.215 | 38% | 0.376 | C | S | . | . | S | Bend | trans | -92.2 | 131.2 | -173 | -48 | 0 | 0 | 0 | 0 | 110.6 | L906 H911 L913 | L906-T909 VanDerWaalsContact O-CB 3.25Å; L906-T909 WeakPolarHBondContact O-CB 3.36Å; L906-T909 PolarHBondContact O-N 2.84Å; L906-T909 PolarHBondContact O-OG1 2.96Å; L906-T909 VanDerWaalsContact O-OG1 3.05Å; T909-H911 PolarHBondContact O-N 3.36Å; T909-L913 HydrophobicContact CG2-CB 4.19Å; T909-L913 HydrophobicContact CG2-CD2 3.66Å |
| 910 | P | 73.7 | Confident | 69.6 | Low | 67 Ų | 67 | 71.8 Ų | 71.8 | 44% | 0.435 | 39% | 0.388 | S | S | . | . | trans | -61 | 133.1 | 176.8 | -24.4 | 34.7 | 0 | 0 | 0 | 112.3 | H912 L913 Q914 | P910-H912 VanDerWaalsContact C-N 3.26Å; P910-H912 WeakPolarHBondContact CB-CE1 3.22Å; P910-H912 PolarHBondContact O-N 2.85Å; P910-H912 VanDerWaalsContact O-N 3.15Å; P910-L913 WeakPolarHBondContact O-CA 3.37Å; P910-L913 VanDerWaalsContact O-CB 3.24Å; P910-L913 WeakPolarHBondContact O-CB 3.39Å; P910-L913 PolarHBondContact O-N 2.83Å; P910-Q914 PolarHBondContact O-N 2.88Å | ||
| 911 | H | 76.4 | Confident | 71.3 | Confident | 123 Ų | 123 | 71.7 Ų | 71.7 | 57% | 0.569 | 39% | 0.385 | S | S | * | . | H | α-helix | trans | -51.8 | -41.8 | -176.3 | -165.3 | -90.7 | 0 | 0 | 0 | 113 | T909 L913 Q914 Q915 | T909-H911 PolarHBondContact O-N 3.36Å; H911-L913 PolarHBondContact O-N 2.76Å; H911-Q914 PolarHBondContact O-N 3.34Å; H911-Q914 VanDerWaalsContact O-N 3.13Å; H911-Q915 VanDerWaalsContact CE1-CD 3.45Å; H911-Q915 PolarHBondContact CE1-NE2 2.84Å; H911-Q915 VanDerWaalsContact CE1-NE2 3.28Å; H911-Q915 PolarHBondContact ND1-NE2 3.23Å; H911-Q915 PolarHBondContact ND1-OE1 3.47Å; H911-Q915 WeakPolarHBondContact O-CB 3.49Å; H911-Q915 VanDerWaalsContact O-CG 3.29Å; H911-Q915 WeakPolarHBondContact O-CG 3.47Å; H911-Q915 PolarHBondContact O-N 3.34Å; H911-Q915 PolarHBondContact O-OE1 3.04Å |
| 912 | H | 80.8 | Confident | 73 | Confident | 121 Ų | 121 | 63.8 Ų | 63.8 | 56% | 0.56 | 36% | 0.356 | S | S | * | . | H | α-helix | trans | -60.4 | -27.9 | 177.2 | 65.6 | -105.4 | 0 | 0 | 0 | 114.2 | P910 Q915 S916 | P910-H912 VanDerWaalsContact C-N 3.26Å; P910-H912 WeakPolarHBondContact CB-CE1 3.22Å; P910-H912 PolarHBondContact O-N 2.85Å; P910-H912 VanDerWaalsContact O-N 3.15Å; H912-Q915 VanDerWaalsContact CA-OE1 3.26Å; H912-S916 WeakPolarHBondContact O-CB 3.37Å; H912-S916 PolarHBondContact O-N 2.8Å; H912-S916 VanDerWaalsContact O-N 3.11Å; H912-S916 PolarHBondContact O-OG 3.16Å |
| 913 | L | 79.6 | Confident | 74.9 | Confident | 75 Ų | 75 | 63.8 Ų | 63.8 | 39% | 0.393 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -74.7 | -45.1 | 176.5 | -159.8 | 86.3 | 0 | 0 | 0 | 110.1 | T909 P910 H911 S916 M917 | T909-L913 HydrophobicContact CG2-CB 4.19Å; T909-L913 HydrophobicContact CG2-CD2 3.66Å; P910-L913 WeakPolarHBondContact O-CA 3.37Å; P910-L913 VanDerWaalsContact O-CB 3.24Å; P910-L913 WeakPolarHBondContact O-CB 3.39Å; P910-L913 PolarHBondContact O-N 2.83Å; H911-L913 PolarHBondContact O-N 2.76Å; L913-S916 WeakPolarHBondContact O-CB 3.34Å; L913-S916 PolarHBondContact O-N 3.11Å; L913-M917 HydrophobicContact CD2-CE 3.7Å; L913-M917 HydrophobicContact CG-CE 4.03Å; L913-M917 VanDerWaalsContact O-CG 3.31Å; L913-M917 WeakPolarHBondContact O-CG 3.43Å; L913-M917 PolarHBondContact O-N 3.08Å |
| 914 | Q | 80.8 | Confident | 76.6 | Confident | 38 Ų | 38 | 67.6 Ų | 67.6 | 18% | 0.178 | 37% | 0.373 | C | S | . | . | H | α-helix | trans | -64.4 | -39.1 | 176.4 | -174.7 | -178.5 | -7.8 | 0 | 0 | 112 | P910 H911 M917 T918 | P910-Q914 PolarHBondContact O-N 2.88Å; H911-Q914 PolarHBondContact O-N 3.34Å; H911-Q914 VanDerWaalsContact O-N 3.13Å; Q914-M917 PolarHBondContact O-N 2.96Å; Q914-T918 WeakPolarHBondContact O-CB 2.99Å; Q914-T918 PolarHBondContact O-N 2.77Å; Q914-T918 PolarHBondContact O-OG1 3.05Å |
| 915 | Q | 83.8 | Confident | 78.3 | Confident | 49 Ų | 49 | 63 Ų | 63 | 23% | 0.229 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -57.7 | -49.4 | 170.1 | -72.4 | 172.5 | -60.8 | 0 | 0 | 110.9 | H911 H912 M917 T918 L919 F948 E952 | H911-Q915 VanDerWaalsContact CE1-CD 3.45Å; H911-Q915 PolarHBondContact CE1-NE2 2.84Å; H911-Q915 VanDerWaalsContact CE1-NE2 3.28Å; H911-Q915 PolarHBondContact ND1-NE2 3.23Å; H911-Q915 PolarHBondContact ND1-OE1 3.47Å; H911-Q915 WeakPolarHBondContact O-CB 3.49Å; H911-Q915 VanDerWaalsContact O-CG 3.29Å; H911-Q915 WeakPolarHBondContact O-CG 3.47Å; H911-Q915 PolarHBondContact O-N 3.34Å; H911-Q915 PolarHBondContact O-OE1 3.04Å; H912-Q915 VanDerWaalsContact CA-OE1 3.26Å; Q915-M917 PolarHBondContact O-N 3.37Å; Q915-T918 PolarHBondContact O-N 3.46Å; Q915-L919 WeakPolarHBondContact O-CB 3.39Å; Q915-L919 PolarHBondContact O-N 3.38Å; Q915-F948 WeakPolarHBondContact O-CZ 3.34Å; Q915-E952 VanDerWaalsContact CB-OE2 3.27Å; Q915-E952 WeakPolarHBondContact CB-OE2 3.47Å; Q915-E952 WeakPolarHBondContact CG-OE1 3.32Å; Q915-E952 WeakPolarHBondContact CG-OE2 3.48Å; Q915-E952 PolarHBondContact NE2-OE1 3.02Å; Q915-E952 PolarHBondContact NE2-OE2 3.45Å |
| 916 | S | 85.4 | Confident | 80.3 | Confident | 75 Ų | 75 | 54.7 Ų | 54.7 | 52% | 0.524 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -62.8 | -38.6 | 178.1 | -57.9 | 0 | 0 | 0 | 0 | 113.2 | H912 L913 A920 | H912-S916 WeakPolarHBondContact O-CB 3.37Å; H912-S916 PolarHBondContact O-N 2.8Å; H912-S916 VanDerWaalsContact O-N 3.11Å; H912-S916 PolarHBondContact O-OG 3.16Å; L913-S916 WeakPolarHBondContact O-CB 3.34Å; L913-S916 PolarHBondContact O-N 3.11Å; S916-A920 PolarHBondContact O-N 3.17Å; S916-A920 VanDerWaalsContact O-N 3.14Å |
| 917 | M | 85.1 | Confident | 82.2 | Confident | 44 Ų | 44 | 54.6 Ų | 54.6 | 22% | 0.217 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -65.7 | -42.5 | 174.7 | -69.4 | 173.8 | 174.6 | 0 | 0 | 112.1 | L867 C870 L913 Q914 Q915 A920 F921 | L867-M917 HydrophobicContact CD2-CB 4.32Å; L867-M917 HydrophobicContact CD2-CG 3.78Å; C870-M917 HydrophobicContact CB-SD 3.63Å; L913-M917 HydrophobicContact CD2-CE 3.7Å; L913-M917 HydrophobicContact CG-CE 4.03Å; L913-M917 VanDerWaalsContact O-CG 3.31Å; L913-M917 WeakPolarHBondContact O-CG 3.43Å; L913-M917 PolarHBondContact O-N 3.08Å; Q914-M917 PolarHBondContact O-N 2.96Å; Q915-M917 PolarHBondContact O-N 3.37Å; M917-A920 PolarHBondContact O-N 3.07Å; M917-F921 WeakPolarHBondContact O-CB 3.46Å; M917-F921 PolarHBondContact O-N 2.8Å |
| 918 | T | 87.1 | Confident | 84 | Confident | 3 Ų | 3 | 49.3 Ų | 49.3 | 2% | 0.018 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -67.1 | -39.1 | 179.7 | -53.3 | 0 | 0 | 0 | 0 | 111.4 | D872 F873 Q914 Q915 F921 L922 F948 | D872-T918 PolarHBondContact N-OG1 3.02Å; F873-T918 HydrophobicContact CB-CG2 4.06Å; Q914-T918 WeakPolarHBondContact O-CB 2.99Å; Q914-T918 PolarHBondContact O-N 2.77Å; Q914-T918 PolarHBondContact O-OG1 3.05Å; Q915-T918 PolarHBondContact O-N 3.46Å; T918-F921 PolarHBondContact O-N 3.01Å; T918-L922 HydrophobicContact CG2-CD1 4.18Å; T918-L922 WeakPolarHBondContact O-CG 3.35Å; T918-L922 PolarHBondContact O-N 2.93Å; T918-F948 HydrophobicContact CG2-CD2 3.8Å; T918-F948 HydrophobicContact CG2-CE2 3.46Å; T918-F948 VanDerWaalsContact CG2-CE2 3.46Å; T918-F948 HydrophobicContact CG2-CZ 3.97Å |
| 919 | L | 90 | Very high | 85.6 | Confident | 21 Ų | 21 | 44.1 Ų | 44.1 | 11% | 0.11 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -58.6 | -53.9 | 173.3 | -172.7 | 140.7 | 0 | 0 | 0 | 111.6 | Q915 F921 L922 E923 F948 L949 | Q915-L919 WeakPolarHBondContact O-CB 3.39Å; Q915-L919 PolarHBondContact O-N 3.38Å; L919-F921 VanDerWaalsContact C-N 3.3Å; L919-F921 PolarHBondContact O-N 3.11Å; L919-L922 PolarHBondContact O-N 3.38Å; L919-E923 VanDerWaalsContact CD2-CD 3.46Å; L919-E923 HydrophobicContact CD2-CG 4.45Å; L919-E923 VanDerWaalsContact CD2-OE1 3.29Å; L919-E923 WeakPolarHBondContact CD2-OE1 3.37Å; L919-E923 WeakPolarHBondContact CD2-OE2 3.24Å; L919-E923 WeakPolarHBondContact O-CG 3.22Å; L919-E923 PolarHBondContact O-N 3.24Å; L919-F948 HydrophobicContact CB-CE1 3.75Å; L919-F948 HydrophobicContact CB-CZ 4.37Å; L919-F948 HydrophobicContact CD1-CE1 4.25Å; L919-F948 HydrophobicContact CG-CE1 4.35Å; L919-L949 HydrophobicContact CD1-CD2 4.49Å |
| 920 | A | 89.3 | Confident | 87 | Confident | 32 Ų | 32 | 46 Ų | 46 | 26% | 0.264 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -61.8 | -37.1 | 179.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | S916 M917 N924 | S916-A920 PolarHBondContact O-N 3.17Å; S916-A920 VanDerWaalsContact O-N 3.14Å; M917-A920 PolarHBondContact O-N 3.07Å; A920-N924 WeakPolarHBondContact O-CB 3.36Å; A920-N924 VanDerWaalsContact O-CG 3.24Å; A920-N924 PolarHBondContact O-N 2.88Å; A920-N924 PolarHBondContact O-ND2 2.72Å |
| 921 | F | 89 | Confident | 87.8 | Confident | 5 Ų | 5 | 44.3 Ų | 44.3 | 2% | 0.022 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -60.9 | -49.9 | 173 | 171.9 | -102.7 | 0 | 0 | 0 | 111.9 | V868 A871 F873 M917 T918 L919 N924 Q925 W941 | V868-F921 HydrophobicContact CB-CD2 4.38Å; V868-F921 HydrophobicContact CB-CE2 4.44Å; V868-F921 HydrophobicContact CG1-CD2 4.39Å; V868-F921 HydrophobicContact CG1-CE2 3.97Å; V868-F921 HydrophobicContact CG2-CD2 4.04Å; V868-F921 HydrophobicContact CG2-CE2 4.23Å; A871-F921 HydrophobicContact CB-CB 3.69Å; A871-F921 HydrophobicContact CB-CD1 3.9Å; A871-F921 HydrophobicContact CB-CG 3.77Å; F873-F921 AromaticContact CD1-CD1 3.9Å; F873-F921 HydrophobicContact CD1-CD1 3.9Å; F873-F921 AromaticContact CD1-CE1 3.52Å; F873-F921 HydrophobicContact CD1-CE1 3.52Å; F873-F921 HydrophobicContact CE1-CD1 4.18Å; F873-F921 AromaticContact CE1-CE1 3.37Å; F873-F921 HydrophobicContact CE1-CE1 3.37Å; F873-F921 AromaticContact CE1-CZ 3.99Å; F873-F921 HydrophobicContact CE1-CZ 3.99Å; F873-F921 HydrophobicContact CG-CE1 4.43Å; F873-F921 HydrophobicContact CZ-CE1 4.2Å; M917-F921 WeakPolarHBondContact O-CB 3.46Å; M917-F921 PolarHBondContact O-N 2.8Å; T918-F921 PolarHBondContact O-N 3.01Å; L919-F921 VanDerWaalsContact C-N 3.3Å; L919-F921 PolarHBondContact O-N 3.11Å; F921-N924 PolarHBondContact O-N 2.89Å; F921-Q925 HydrophobicContact CD1-CG 4.32Å; F921-Q925 HydrophobicContact CD2-CG 4.26Å; F921-Q925 HydrophobicContact CE1-CG 3.8Å; F921-Q925 HydrophobicContact CE2-CG 3.74Å; F921-Q925 HydrophobicContact CZ-CG 3.49Å; F921-Q925 VanDerWaalsContact CZ-CG 3.49Å; F921-Q925 WeakPolarHBondContact O-CG 3.37Å; F921-Q925 PolarHBondContact O-N 2.86Å; F921-W941 HydrophobicContact CE1-CH2 4.17Å; F921-W941 AromaticContact CE1-CZ3 3.96Å; F921-W941 HydrophobicContact CE1-CZ3 3.96Å; F921-W941 HydrophobicContact CZ-CH2 4.18Å; F921-W941 HydrophobicContact CZ-CZ3 4.4Å |
| 922 | L | 90.6 | Very high | 88.6 | Confident | 0 Ų | 0 | 38.5 Ų | 38.5 | 0% | 0 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -67.6 | -37.7 | -177.5 | -67.9 | 172.5 | 0 | 0 | 0 | 112.7 | F873 T918 L919 Q925 L926 W941 I944 Y945 F948 | F873-L922 HydrophobicContact CB-CD1 4.21Å; F873-L922 HydrophobicContact CB-CD2 4.09Å; F873-L922 HydrophobicContact CB-CG 4.47Å; F873-L922 HydrophobicContact CG-CD2 4.29Å; T918-L922 HydrophobicContact CG2-CD1 4.18Å; T918-L922 WeakPolarHBondContact O-CG 3.35Å; T918-L922 PolarHBondContact O-N 2.93Å; L919-L922 PolarHBondContact O-N 3.38Å; L922-Q925 PolarHBondContact O-N 3.18Å; L922-L926 PolarHBondContact O-N 2.87Å; L922-L926 VanDerWaalsContact O-N 3.09Å; L922-W941 HydrophobicContact CD2-CE3 3.8Å; L922-W941 HydrophobicContact CD2-CZ3 3.92Å; L922-I944 HydrophobicContact CD1-CG2 4.26Å; L922-I944 HydrophobicContact CD2-CB 4.45Å; L922-I944 HydrophobicContact CD2-CG2 3.65Å; L922-Y945 HydrophobicContact CB-CD2 3.94Å; L922-F948 HydrophobicContact CD1-CB 3.61Å; L922-F948 HydrophobicContact CD1-CD1 4.05Å; L922-F948 HydrophobicContact CD1-CD2 4.24Å; L922-F948 HydrophobicContact CD1-CG 3.69Å |
| 923 | E | 92.3 | Very high | 89.1 | Confident | 66 Ų | 66 | 36.2 Ų | 36.2 | 31% | 0.308 | 20% | 0.204 | S | C | . | . | H | α-helix | trans | -63.4 | -40.6 | 172.9 | -69.5 | 176.3 | 175.7 | 0 | 0 | 111 | L919 L926 A927 Y945 R957 | L919-E923 VanDerWaalsContact CD2-CD 3.46Å; L919-E923 HydrophobicContact CD2-CG 4.45Å; L919-E923 VanDerWaalsContact CD2-OE1 3.29Å; L919-E923 WeakPolarHBondContact CD2-OE1 3.37Å; L919-E923 WeakPolarHBondContact CD2-OE2 3.24Å; L919-E923 WeakPolarHBondContact O-CG 3.22Å; L919-E923 PolarHBondContact O-N 3.24Å; E923-L926 PolarHBondContact O-N 3.38Å; E923-A927 PolarHBondContact O-N 3.08Å; E923-Y945 HydrophobicContact CG-CD2 4.32Å; E923-Y945 HydrophobicContact CG-CE2 3.53Å; E923-Y945 PolarHBondContact OE1-OH 2.99Å; E923-R957 IonicContact OE1-CZ 3.59Å; E923-R957 IonicContact OE1-NE 3.81Å; E923-R957 PolarHBondContact OE1-NE 3.46Å; E923-R957 VanDerWaalsContact OE1-NE 3.1Å |
| 924 | N | 90.9 | Very high | 89.7 | Confident | 87 Ų | 87 | 33.1 Ų | 33.1 | 47% | 0.465 | 19% | 0.188 | S | C | . | . | H | α-helix | trans | -65.9 | -38.9 | 174 | -77.4 | -17.8 | 0 | 0 | 0 | 113.4 | A920 F921 A927 S928 | A920-N924 WeakPolarHBondContact O-CB 3.36Å; A920-N924 VanDerWaalsContact O-CG 3.24Å; A920-N924 PolarHBondContact O-N 2.88Å; A920-N924 PolarHBondContact O-ND2 2.72Å; F921-N924 PolarHBondContact O-N 2.89Å; N924-A927 PolarHBondContact O-N 3.46Å; N924-S928 VanDerWaalsContact O-CB 3.29Å; N924-S928 WeakPolarHBondContact O-CB 3.42Å; N924-S928 PolarHBondContact O-N 3.38Å; N924-S928 PolarHBondContact O-OG 3.43Å |
| 925 | Q | 90.1 | Very high | 90.2 | Very high | 5 Ų | 5 | 32.6 Ų | 32.6 | 2% | 0.023 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -64 | -41.3 | 175.9 | -68.1 | -63 | 91.8 | 0 | 0 | 111.5 | F921 L922 S928 A929 W941 | F921-Q925 HydrophobicContact CD1-CG 4.32Å; F921-Q925 HydrophobicContact CD2-CG 4.26Å; F921-Q925 HydrophobicContact CE1-CG 3.8Å; F921-Q925 HydrophobicContact CE2-CG 3.74Å; F921-Q925 HydrophobicContact CZ-CG 3.49Å; F921-Q925 VanDerWaalsContact CZ-CG 3.49Å; F921-Q925 WeakPolarHBondContact O-CG 3.37Å; F921-Q925 PolarHBondContact O-N 2.86Å; L922-Q925 PolarHBondContact O-N 3.18Å; Q925-S928 PolarHBondContact O-N 3.01Å; Q925-A929 WeakPolarHBondContact O-CB 3.33Å; Q925-A929 PolarHBondContact O-N 3.33Å; Q925-W941 HydrophobicContact CB-CB 4.26Å; Q925-W941 HydrophobicContact CB-CD2 3.62Å; Q925-W941 HydrophobicContact CB-CE3 4Å; Q925-W941 HydrophobicContact CB-CG 3.71Å; Q925-W941 HydrophobicContact CG-CD2 4Å; Q925-W941 HydrophobicContact CG-CE3 4.08Å; Q925-W941 HydrophobicContact CG-CH2 4.3Å; Q925-W941 HydrophobicContact CG-CZ2 4.22Å; Q925-W941 HydrophobicContact CG-CZ3 4.23Å; Q925-W941 VanDerWaalsContact NE2-CE2 3.35Å |
| 926 | L | 92.4 | Very high | 90.5 | Very high | 19 Ų | 19 | 36.9 Ų | 36.9 | 10% | 0.099 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -61.4 | -49.6 | 174.7 | -89.9 | 169.1 | 0 | 0 | 0 | 112.3 | L922 E923 S928 A929 L930 Y938 W941 L942 Y945 | L922-L926 PolarHBondContact O-N 2.87Å; L922-L926 VanDerWaalsContact O-N 3.09Å; E923-L926 PolarHBondContact O-N 3.38Å; L926-S928 VanDerWaalsContact C-N 3.32Å; L926-S928 PolarHBondContact O-N 3.31Å; L926-A929 PolarHBondContact O-N 3.5Å; L926-L930 WeakPolarHBondContact O-CB 3.44Å; L926-L930 PolarHBondContact O-N 3.28Å; L926-Y938 HydrophobicContact CD2-CD2 3.72Å; L926-Y938 HydrophobicContact CD2-CE2 3.66Å; L926-Y938 HydrophobicContact CD2-CG 4.45Å; L926-W941 HydrophobicContact CD2-CB 4.3Å; L926-W941 HydrophobicContact CG-CB 4.18Å; L926-L942 HydrophobicContact CD1-CD1 4.49Å; L926-L942 HydrophobicContact CD2-CB 3.96Å; L926-L942 HydrophobicContact CD2-CD1 4.1Å; L926-Y945 HydrophobicContact CD1-CD1 3.59Å; L926-Y945 HydrophobicContact CD1-CD2 4.49Å; L926-Y945 HydrophobicContact CD1-CE1 4.27Å; L926-Y945 HydrophobicContact CD1-CG 3.71Å |
| 927 | A | 92.5 | Very high | 90.8 | Very high | 50 Ų | 50 | 33.4 Ų | 33.4 | 41% | 0.413 | 19% | 0.186 | S | C | . | . | H | α-helix | trans | -62.1 | -39.3 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | E923 N924 L930 T931 | E923-A927 PolarHBondContact O-N 3.08Å; N924-A927 PolarHBondContact O-N 3.46Å; A927-L930 PolarHBondContact O-N 3.48Å; A927-T931 WeakPolarHBondContact O-CB 3.21Å; A927-T931 PolarHBondContact O-N 2.86Å; A927-T931 PolarHBondContact O-OG1 2.61Å |
| 928 | S | 92.4 | Very high | 91.2 | Very high | 11 Ų | 11 | 31.9 Ų | 31.9 | 8% | 0.077 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -67.2 | -46.1 | 178.3 | -59.9 | 0 | 0 | 0 | 0 | 112.1 | N924 Q925 L926 L930 T931 L932 | N924-S928 VanDerWaalsContact O-CB 3.29Å; N924-S928 WeakPolarHBondContact O-CB 3.42Å; N924-S928 PolarHBondContact O-N 3.38Å; N924-S928 PolarHBondContact O-OG 3.43Å; Q925-S928 PolarHBondContact O-N 3.01Å; L926-S928 VanDerWaalsContact C-N 3.32Å; L926-S928 PolarHBondContact O-N 3.31Å; S928-L930 VanDerWaalsContact C-N 3.33Å; S928-L930 PolarHBondContact O-N 3.42Å; S928-T931 PolarHBondContact O-N 3.03Å; S928-L932 WeakPolarHBondContact O-CB 3.45Å; S928-L932 WeakPolarHBondContact O-CG 3.2Å; S928-L932 PolarHBondContact O-N 3.38Å |
| 929 | A | 92.6 | Very high | 91.4 | Very high | 0 Ų | 0 | 36.8 Ų | 36.8 | 0% | 0 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -64.6 | -37.3 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | L889 Q925 L926 Q933 S934 E937 | L889-A929 HydrophobicContact CD2-CB 4.32Å; Q925-A929 WeakPolarHBondContact O-CB 3.33Å; Q925-A929 PolarHBondContact O-N 3.33Å; L926-A929 PolarHBondContact O-N 3.5Å; A929-Q933 PolarHBondContact O-N 2.95Å; A929-S934 PolarHBondContact O-N 3.47Å; A929-E937 HydrophobicContact CB-CB 3.94Å |
| 930 | L | 91.9 | Very high | 91.4 | Very high | 74 Ų | 74 | 38.6 Ų | 38.6 | 39% | 0.387 | 20% | 0.202 | S | C | . | . | H | α-helix | trans | -62.4 | -47.1 | 173.5 | -177.7 | 60.4 | 0 | 0 | 0 | 111.7 | L926 A927 S928 Q933 Y938 T981 L982 | L926-L930 WeakPolarHBondContact O-CB 3.44Å; L926-L930 PolarHBondContact O-N 3.28Å; A927-L930 PolarHBondContact O-N 3.48Å; S928-L930 VanDerWaalsContact C-N 3.33Å; S928-L930 PolarHBondContact O-N 3.42Å; L930-Q933 PolarHBondContact O-N 2.91Å; L930-Y938 HydrophobicContact CB-CD2 4.02Å; L930-Y938 HydrophobicContact CB-CE2 4.24Å; L930-Y938 HydrophobicContact CD1-CE2 4.42Å; L930-T981 HydrophobicContact CD1-CG2 3.58Å; L930-L982 HydrophobicContact CD1-CD1 4.17Å; L930-L982 HydrophobicContact CD1-CD2 4.19Å; L930-L982 HydrophobicContact CD1-CG 3.99Å |
| 931 | T | 91.9 | Very high | 91.5 | Very high | 33 Ų | 33 | 37.2 Ų | 37.2 | 20% | 0.202 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -68.9 | -34.2 | -178.1 | -52.1 | 0 | 0 | 0 | 0 | 112.5 | T858 A927 S928 Q933 | T858-T931 HydrophobicContact CG2-CG2 4.38Å; T858-T931 WeakPolarHBondContact OG1-CG2 3.37Å; A927-T931 WeakPolarHBondContact O-CB 3.21Å; A927-T931 PolarHBondContact O-N 2.86Å; A927-T931 PolarHBondContact O-OG1 2.61Å; S928-T931 PolarHBondContact O-N 3.03Å; T931-Q933 PolarHBondContact O-N 3.46Å |
| 932 | L | 91.6 | Very high | 91.8 | Very high | 0 Ų | 0 | 37 Ų | 37 | 0% | 0 | 19% | 0.189 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -72.3 | -5.7 | 171.1 | -75.6 | 168.2 | 0 | 0 | 0 | 114.3 | T833 V837 I839 C849 I860 P888 L889 S928 S934 | T833-L932 HydrophobicContact CG2-CD2 4.35Å; V837-L932 HydrophobicContact CG1-CD2 4.39Å; I839-L932 HydrophobicContact CD1-CD2 3.5Å; I839-L932 HydrophobicContact CG1-CD2 3.85Å; C849-L932 HydrophobicContact CB-CD2 3.96Å; I860-L932 HydrophobicContact CD1-CD1 3.96Å; I860-L932 HydrophobicContact CD1-CD2 3.95Å; I860-L932 HydrophobicContact CD1-CG 4.25Å; P888-L932 HydrophobicContact CB-CD1 4.37Å; P888-L932 HydrophobicContact CB-CD2 4.36Å; L889-L932 HydrophobicContact CB-CD1 3.7Å; L889-L932 HydrophobicContact CD1-CD1 3.78Å; L889-L932 HydrophobicContact CG-CD1 4.3Å; S928-L932 WeakPolarHBondContact O-CB 3.45Å; S928-L932 WeakPolarHBondContact O-CG 3.2Å; S928-L932 PolarHBondContact O-N 3.38Å; L932-S934 PolarHBondContact O-N 2.92Å |
| 933 | Q | 91.7 | Very high | 91.8 | Very high | 74 Ų | 74 | 39.1 Ų | 39.1 | 35% | 0.346 | 20% | 0.2 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 58.1 | 28.9 | -173.6 | -53.2 | -175.6 | 25.6 | 0 | 0 | 113.7 | Q835 V837 A929 L930 T931 A935 L982 | Q835-Q933 HydrophobicContact CB-CB 4.02Å; Q835-Q933 HydrophobicContact CG-CB 3.98Å; V837-Q933 HydrophobicContact CG2-CG 4.13Å; A929-Q933 PolarHBondContact O-N 2.95Å; L930-Q933 PolarHBondContact O-N 2.91Å; T931-Q933 PolarHBondContact O-N 3.46Å; Q933-A935 PolarHBondContact O-N 3.43Å; Q933-L982 HydrophobicContact CB-CD2 3.93Å; Q933-L982 HydrophobicContact CG-CD2 4.18Å |
| 934 | S | 92.3 | Very high | 91.8 | Very high | 9 Ų | 9 | 36.2 Ų | 36.2 | 6% | 0.063 | 19% | 0.186 | C | C | . | . | trans | -90.6 | 87.1 | -175.8 | -170.8 | 0 | 0 | 0 | 0 | 111.2 | A929 L932 Q936 E937 Y938 | A929-S934 PolarHBondContact O-N 3.47Å; L932-S934 PolarHBondContact O-N 2.92Å; S934-Q936 VanDerWaalsContact C-N 3.32Å; S934-Q936 PolarHBondContact O-N 3.07Å; S934-E937 WeakPolarHBondContact CB-OE2 3.4Å; S934-E937 PolarHBondContact O-N 2.87Å; S934-E937 WeakPolarHBondContact OG-CB 3.46Å; S934-E937 WeakPolarHBondContact OG-CG 3.28Å; S934-E937 PolarHBondContact OG-OE2 3.19Å; S934-Y938 WeakPolarHBondContact O-CB 3.34Å; S934-Y938 PolarHBondContact O-N 3.36Å | ||
| 935 | A | 91.2 | Very high | 91.9 | Very high | 27 Ų | 27 | 33.1 Ų | 33.1 | 22% | 0.223 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -55.9 | -42.8 | -175.2 | 0 | 0 | 0 | 0 | 0 | 113.3 | Q933 Y938 R939 L982 L984 | Q933-A935 PolarHBondContact O-N 3.43Å; A935-Y938 PolarHBondContact O-N 3.35Å; A935-R939 PolarHBondContact O-N 3.18Å; A935-L982 HydrophobicContact CB-CB 3.91Å; A935-L984 HydrophobicContact CB-CD1 4.04Å; A935-L984 HydrophobicContact CB-CG 4.15Å; A935-L984 WeakPolarHBondContact O-CD1 3.46Å |
| 936 | Q | 90.5 | Very high | 92.1 | Very high | 140 Ų | 140 | 32.9 Ų | 32.9 | 65% | 0.654 | 17% | 0.167 | S | C | * | . | H | α-helix | trans | -67 | -43.8 | -179.4 | -63.7 | -177.4 | 2.4 | 0 | 0 | 111.9 | S934 Y940 | S934-Q936 VanDerWaalsContact C-N 3.32Å; S934-Q936 PolarHBondContact O-N 3.07Å; Q936-Y940 WeakPolarHBondContact O-CB 3.31Å; Q936-Y940 PolarHBondContact O-N 3.04Å |
| 937 | E | 91.3 | Very high | 92.1 | Very high | 1 Ų | 1 | 35 Ų | 35 | 1% | 0.005 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -68.7 | -37.7 | 177.3 | -64.7 | 177.8 | 126.1 | 0 | 0 | 111.3 | G887 P888 L889 A890 A929 S934 Y940 W941 | G887-E937 VanDerWaalsContact CA-OE1 3.28Å; G887-E937 WeakPolarHBondContact CA-OE1 3.21Å; G887-E937 PolarHBondContact N-OE1 3.2Å; P888-E937 VanDerWaalsContact CD-OE2 3.31Å; P888-E937 WeakPolarHBondContact CD-OE2 3.45Å; L889-E937 WeakPolarHBondContact CB-OE1 3.4Å; L889-E937 WeakPolarHBondContact CB-OE2 3.47Å; L889-E937 PolarHBondContact N-OE1 3.17Å; L889-E937 PolarHBondContact N-OE2 3.32Å; A890-E937 WeakPolarHBondContact CB-OE1 3.31Å; A890-E937 PolarHBondContact N-OE1 3.34Å; A929-E937 HydrophobicContact CB-CB 3.94Å; S934-E937 WeakPolarHBondContact CB-OE2 3.4Å; S934-E937 PolarHBondContact O-N 2.87Å; S934-E937 WeakPolarHBondContact OG-CB 3.46Å; S934-E937 WeakPolarHBondContact OG-CG 3.28Å; S934-E937 PolarHBondContact OG-OE2 3.19Å; E937-Y940 PolarHBondContact O-N 3.05Å; E937-W941 PolarHBondContact O-N 2.87Å |
| 938 | Y | 93.1 | Very high | 92.1 | Very high | 13 Ų | 13 | 33 Ų | 33 | 5% | 0.051 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -60.7 | -49.2 | 175.1 | 178 | -97.8 | 0 | 0 | 0 | 111.3 | L926 L930 S934 A935 Y940 W941 L942 T981 L982 L989 | L926-Y938 HydrophobicContact CD2-CD2 3.72Å; L926-Y938 HydrophobicContact CD2-CE2 3.66Å; L926-Y938 HydrophobicContact CD2-CG 4.45Å; L930-Y938 HydrophobicContact CB-CD2 4.02Å; L930-Y938 HydrophobicContact CB-CE2 4.24Å; L930-Y938 HydrophobicContact CD1-CE2 4.42Å; S934-Y938 WeakPolarHBondContact O-CB 3.34Å; S934-Y938 PolarHBondContact O-N 3.36Å; A935-Y938 PolarHBondContact O-N 3.35Å; Y938-Y940 VanDerWaalsContact C-N 3.35Å; Y938-Y940 PolarHBondContact O-N 3.09Å; Y938-W941 PolarHBondContact O-N 3.38Å; Y938-L942 HydrophobicContact CE1-CD2 4.34Å; Y938-L942 WeakPolarHBondContact O-CB 3.2Å; Y938-L942 PolarHBondContact O-N 3.27Å; Y938-T981 HydrophobicContact CD1-CG2 4.37Å; Y938-T981 HydrophobicContact CE1-CG2 3.87Å; Y938-L982 HydrophobicContact CG-CD1 4.46Å; Y938-L989 HydrophobicContact CE1-CD1 4.17Å |
| 939 | R | 92.6 | Very high | 92.1 | Very high | 106 Ų | 106 | 32.4 Ų | 32.4 | 40% | 0.4 | 15% | 0.152 | S | C | . | . | H | α-helix | trans | -60.4 | -41.4 | 175.7 | -179.6 | 173.4 | 172.4 | -161.6 | -4 | 112.5 | A935 L942 L943 L984 L989 E992 | A935-R939 PolarHBondContact O-N 3.18Å; R939-L942 PolarHBondContact O-N 3.42Å; R939-L943 WeakPolarHBondContact O-CG 3.39Å; R939-L943 PolarHBondContact O-N 3.11Å; R939-L984 HydrophobicContact CB-CD1 3.98Å; R939-L989 HydrophobicContact CB-CD2 4.24Å; R939-L989 HydrophobicContact CG-CD2 3.79Å; R939-E992 IonicContact CZ-OE1 2.68Å; R939-E992 IonicContact CZ-OE2 3.4Å; R939-E992 IonicContact NE-OE1 3.42Å; R939-E992 PolarHBondContact NE-OE1 3.3Å; R939-E992 VanDerWaalsContact NE-OE1 3.11Å; R939-E992 IonicContact NE-OE2 3.19Å; R939-E992 PolarHBondContact NE-OE2 3.29Å; R939-E992 IonicContact NH2-OE1 2.62Å; R939-E992 PolarHBondContact NH2-OE1 2.86Å; R939-E992 IonicContact NH2-OE2 2.63Å; R939-E992 PolarHBondContact NH2-OE2 3.24Å |
| 940 | Y | 90.3 | Very high | 92.1 | Very high | 58 Ų | 58 | 32.6 Ų | 32.6 | 23% | 0.227 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -61.4 | -52 | 177.3 | 175.1 | -92.2 | 0 | 0 | 0 | 112 | Q936 E937 Y938 L942 L943 I944 | Q936-Y940 WeakPolarHBondContact O-CB 3.31Å; Q936-Y940 PolarHBondContact O-N 3.04Å; E937-Y940 PolarHBondContact O-N 3.05Å; Y938-Y940 VanDerWaalsContact C-N 3.35Å; Y938-Y940 PolarHBondContact O-N 3.09Å; Y940-L942 VanDerWaalsContact C-N 3.34Å; Y940-L942 PolarHBondContact O-N 2.89Å; Y940-L943 PolarHBondContact O-N 3.25Å; Y940-I944 HydrophobicContact CD1-CD1 3.92Å; Y940-I944 HydrophobicContact CE1-CD1 3.4Å; Y940-I944 VanDerWaalsContact CE1-CD1 3.4Å; Y940-I944 HydrophobicContact CE2-CD1 4.25Å; Y940-I944 PolarHBondContact O-N 2.98Å |
| 941 | W | 91.6 | Very high | 92 | Very high | 3 Ų | 3 | 33.8 Ų | 33.8 | 1% | 0.011 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -69.4 | -30.3 | 179.6 | -68.6 | 115.4 | 0 | 0 | 0 | 112.9 | F873 L897 F921 L922 Q925 L926 E937 Y938 L943 I944 Y945 | F873-W941 HydrophobicContact CD2-CZ3 4.26Å; F873-W941 HydrophobicContact CE2-CH2 4.09Å; F873-W941 AromaticContact CE2-CZ3 3.93Å; F873-W941 HydrophobicContact CE2-CZ3 3.93Å; F873-W941 AromaticContact CZ-CH2 3.93Å; F873-W941 HydrophobicContact CZ-CH2 3.93Å; F873-W941 HydrophobicContact CZ-CZ3 4.07Å; L897-W941 HydrophobicContact CD1-CH2 4.23Å; L897-W941 HydrophobicContact CD1-CZ2 4.16Å; F921-W941 HydrophobicContact CE1-CH2 4.17Å; F921-W941 AromaticContact CE1-CZ3 3.96Å; F921-W941 HydrophobicContact CE1-CZ3 3.96Å; F921-W941 HydrophobicContact CZ-CH2 4.18Å; F921-W941 HydrophobicContact CZ-CZ3 4.4Å; L922-W941 HydrophobicContact CD2-CE3 3.8Å; L922-W941 HydrophobicContact CD2-CZ3 3.92Å; Q925-W941 HydrophobicContact CB-CB 4.26Å; Q925-W941 HydrophobicContact CB-CD2 3.62Å; Q925-W941 HydrophobicContact CB-CE3 4Å; Q925-W941 HydrophobicContact CB-CG 3.71Å; Q925-W941 HydrophobicContact CG-CD2 4Å; Q925-W941 HydrophobicContact CG-CE3 4.08Å; Q925-W941 HydrophobicContact CG-CH2 4.3Å; Q925-W941 HydrophobicContact CG-CZ2 4.22Å; Q925-W941 HydrophobicContact CG-CZ3 4.23Å; Q925-W941 VanDerWaalsContact NE2-CE2 3.35Å; L926-W941 HydrophobicContact CD2-CB 4.3Å; L926-W941 HydrophobicContact CG-CB 4.18Å; E937-W941 PolarHBondContact O-N 2.87Å; Y938-W941 PolarHBondContact O-N 3.38Å; W941-L943 PolarHBondContact O-N 3.03Å; W941-I944 HydrophobicContact CE3-CD1 3.97Å; W941-I944 HydrophobicContact CZ3-CD1 4.03Å; W941-I944 PolarHBondContact O-N 3.02Å; W941-Y945 VanDerWaalsContact O-CB 3.31Å; W941-Y945 WeakPolarHBondContact O-CB 3.36Å; W941-Y945 PolarHBondContact O-N 3.1Å |
| 942 | L | 93.8 | Very high | 91.8 | Very high | 2 Ų | 2 | 34.9 Ų | 34.9 | 1% | 0.01 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -59.5 | -44.3 | 174.7 | -172.2 | 69.8 | 0 | 0 | 0 | 112.4 | L926 Y938 R939 Y940 Y945 A946 L961 L965 L989 | L926-L942 HydrophobicContact CD1-CD1 4.49Å; L926-L942 HydrophobicContact CD2-CB 3.96Å; L926-L942 HydrophobicContact CD2-CD1 4.1Å; Y938-L942 HydrophobicContact CE1-CD2 4.34Å; Y938-L942 WeakPolarHBondContact O-CB 3.2Å; Y938-L942 PolarHBondContact O-N 3.27Å; R939-L942 PolarHBondContact O-N 3.42Å; Y940-L942 VanDerWaalsContact C-N 3.34Å; Y940-L942 PolarHBondContact O-N 2.89Å; L942-Y945 PolarHBondContact O-N 3.1Å; L942-A946 WeakPolarHBondContact O-CB 3.29Å; L942-A946 PolarHBondContact O-N 2.93Å; L942-L961 HydrophobicContact CD1-CD1 3.88Å; L942-L965 HydrophobicContact CD2-CD1 4.48Å; L942-L989 HydrophobicContact CD2-CB 3.93Å; L942-L989 HydrophobicContact CD2-CD1 3.89Å; L942-L989 HydrophobicContact CD2-CD2 4.15Å; L942-L989 HydrophobicContact CD2-CG 4.21Å |
| 943 | L | 91.9 | Very high | 91.7 | Very high | 43 Ų | 43 | 35.3 Ų | 35.3 | 23% | 0.225 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -71 | -36.3 | 179.6 | -65.8 | 173.4 | 0 | 0 | 0 | 112 | R939 Y940 W941 R947 E992 V993 | R939-L943 WeakPolarHBondContact O-CG 3.39Å; R939-L943 PolarHBondContact O-N 3.11Å; Y940-L943 PolarHBondContact O-N 3.25Å; W941-L943 PolarHBondContact O-N 3.03Å; L943-R947 WeakPolarHBondContact O-CB 3.5Å; L943-R947 VanDerWaalsContact O-CG 3.23Å; L943-R947 WeakPolarHBondContact O-CG 3.46Å; L943-R947 PolarHBondContact O-N 3.03Å; L943-E992 HydrophobicContact CD2-CB 3.86Å; L943-V993 HydrophobicContact CD2-CG2 4.08Å |
| 944 | I | 91 | Very high | 91.6 | Very high | 5 Ų | 5 | 33.3 Ų | 33.3 | 3% | 0.026 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -67.5 | -42.1 | 174.2 | -62.8 | 171.5 | 0 | 0 | 0 | 110.7 | F873 C876 L877 L922 Y940 W941 R947 F948 | F873-I944 HydrophobicContact CB-CG2 4.1Å; F873-I944 HydrophobicContact CD2-CG2 4Å; F873-I944 HydrophobicContact CG-CG2 4.4Å; C876-I944 HydrophobicContact CB-CG2 4.14Å; L877-I944 HydrophobicContact CD2-CD1 3.74Å; L877-I944 HydrophobicContact CD2-CG1 4.36Å; L922-I944 HydrophobicContact CD1-CG2 4.26Å; L922-I944 HydrophobicContact CD2-CB 4.45Å; L922-I944 HydrophobicContact CD2-CG2 3.65Å; Y940-I944 HydrophobicContact CD1-CD1 3.92Å; Y940-I944 HydrophobicContact CE1-CD1 3.4Å; Y940-I944 VanDerWaalsContact CE1-CD1 3.4Å; Y940-I944 HydrophobicContact CE2-CD1 4.25Å; Y940-I944 PolarHBondContact O-N 2.98Å; W941-I944 HydrophobicContact CE3-CD1 3.97Å; W941-I944 HydrophobicContact CZ3-CD1 4.03Å; W941-I944 PolarHBondContact O-N 3.02Å; I944-R947 PolarHBondContact O-N 3.19Å; I944-F948 WeakPolarHBondContact O-CB 3.4Å; I944-F948 PolarHBondContact O-N 3.44Å |
| 945 | Y | 94 | Very high | 91.6 | Very high | 22 Ų | 22 | 36.6 Ų | 36.6 | 9% | 0.086 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -63 | -44.2 | 175.2 | 178.1 | -115.6 | 0 | 0 | 0 | 112.1 | L922 E923 L926 W941 L942 R947 F948 L949 L961 | L922-Y945 HydrophobicContact CB-CD2 3.94Å; E923-Y945 HydrophobicContact CG-CD2 4.32Å; E923-Y945 HydrophobicContact CG-CE2 3.53Å; E923-Y945 PolarHBondContact OE1-OH 2.99Å; L926-Y945 HydrophobicContact CD1-CD1 3.59Å; L926-Y945 HydrophobicContact CD1-CD2 4.49Å; L926-Y945 HydrophobicContact CD1-CE1 4.27Å; L926-Y945 HydrophobicContact CD1-CG 3.71Å; W941-Y945 VanDerWaalsContact O-CB 3.31Å; W941-Y945 WeakPolarHBondContact O-CB 3.36Å; W941-Y945 PolarHBondContact O-N 3.1Å; L942-Y945 PolarHBondContact O-N 3.1Å; Y945-R947 PolarHBondContact O-N 3.37Å; Y945-F948 PolarHBondContact O-N 2.82Å; Y945-L949 HydrophobicContact CD1-CD1 4.14Å; Y945-L949 HydrophobicContact CD2-CG 4.37Å; Y945-L949 HydrophobicContact CE1-CD1 3.62Å; Y945-L949 HydrophobicContact CE1-CG 4.3Å; Y945-L949 HydrophobicContact CE2-CD1 4.2Å; Y945-L949 HydrophobicContact CE2-CD2 4Å; Y945-L949 HydrophobicContact CE2-CG 4.04Å; Y945-L949 WeakPolarHBondContact O-CG 3.43Å; Y945-L949 PolarHBondContact O-N 3.37Å; Y945-L961 HydrophobicContact CD1-CD2 4.3Å; Y945-L961 HydrophobicContact CE1-CD2 4.43Å |
| 946 | A | 93.7 | Very high | 91.6 | Very high | 0 Ų | 0 | 44.1 Ų | 44.1 | 0% | 0 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -60.1 | -45.2 | 174.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | L942 F948 L949 V950 L961 V993 | L942-A946 WeakPolarHBondContact O-CB 3.29Å; L942-A946 PolarHBondContact O-N 2.93Å; A946-F948 VanDerWaalsContact C-N 3.35Å; A946-F948 PolarHBondContact O-N 2.84Å; A946-L949 PolarHBondContact O-N 2.9Å; A946-V950 WeakPolarHBondContact O-CB 3.39Å; A946-V950 WeakPolarHBondContact O-CG2 3.24Å; A946-V950 PolarHBondContact O-N 3.37Å; A946-L961 HydrophobicContact CB-CD2 4.31Å; A946-V993 HydrophobicContact CB-CG1 4.02Å; A946-V993 HydrophobicContact CB-CG2 4.13Å |
| 947 | R | 92.4 | Very high | 91.7 | Very high | 63 Ų | 63 | 41.8 Ų | 41.8 | 24% | 0.238 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -58.6 | -45.2 | 174.3 | -74.3 | 171.2 | 177 | -120.1 | -16.6 | 111.8 | C876 L943 I944 Y945 V950 N951 V996 | C876-R947 HydrophobicContact CB-CB 4.01Å; C876-R947 WeakPolarHBondContact O-CD 3.35Å; L943-R947 WeakPolarHBondContact O-CB 3.5Å; L943-R947 VanDerWaalsContact O-CG 3.23Å; L943-R947 WeakPolarHBondContact O-CG 3.46Å; L943-R947 PolarHBondContact O-N 3.03Å; I944-R947 PolarHBondContact O-N 3.19Å; Y945-R947 PolarHBondContact O-N 3.37Å; R947-V950 PolarHBondContact O-N 3.14Å; R947-N951 WeakPolarHBondContact O-CB 3.47Å; R947-N951 VanDerWaalsContact O-CG 3.25Å; R947-N951 PolarHBondContact O-N 3.46Å; R947-N951 PolarHBondContact O-ND2 3.16Å; R947-V996 HydrophobicContact CB-CG1 4.15Å; R947-V996 HydrophobicContact CG-CB 4.42Å; R947-V996 HydrophobicContact CG-CG1 3.43Å; R947-V996 VanDerWaalsContact CG-CG1 3.43Å; R947-V996 HydrophobicContact CG-CG2 4.06Å |
| 948 | F | 92.6 | Very high | 91.9 | Very high | 8 Ų | 8 | 41.7 Ų | 41.7 | 4% | 0.035 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -61.1 | -50.4 | 176.7 | -178.5 | -99.1 | 0 | 0 | 0 | 111.8 | Q915 T918 L919 L922 I944 Y945 A946 V950 N951 E952 | Q915-F948 WeakPolarHBondContact O-CZ 3.34Å; T918-F948 HydrophobicContact CG2-CD2 3.8Å; T918-F948 HydrophobicContact CG2-CE2 3.46Å; T918-F948 VanDerWaalsContact CG2-CE2 3.46Å; T918-F948 HydrophobicContact CG2-CZ 3.97Å; L919-F948 HydrophobicContact CB-CE1 3.75Å; L919-F948 HydrophobicContact CB-CZ 4.37Å; L919-F948 HydrophobicContact CD1-CE1 4.25Å; L919-F948 HydrophobicContact CG-CE1 4.35Å; L922-F948 HydrophobicContact CD1-CB 3.61Å; L922-F948 HydrophobicContact CD1-CD1 4.05Å; L922-F948 HydrophobicContact CD1-CD2 4.24Å; L922-F948 HydrophobicContact CD1-CG 3.69Å; I944-F948 WeakPolarHBondContact O-CB 3.4Å; I944-F948 PolarHBondContact O-N 3.44Å; Y945-F948 PolarHBondContact O-N 2.82Å; A946-F948 VanDerWaalsContact C-N 3.35Å; A946-F948 PolarHBondContact O-N 2.84Å; F948-V950 VanDerWaalsContact C-N 3.25Å; F948-V950 PolarHBondContact O-N 2.85Å; F948-N951 PolarHBondContact O-N 3.29Å; F948-E952 HydrophobicContact CD1-CG 4.06Å; F948-E952 HydrophobicContact CD2-CG 4.11Å; F948-E952 HydrophobicContact CE1-CG 3.67Å; F948-E952 HydrophobicContact CE2-CG 3.74Å; F948-E952 HydrophobicContact CG-CG 4.25Å; F948-E952 HydrophobicContact CZ-CG 3.5Å; F948-E952 VanDerWaalsContact CZ-CG 3.5Å; F948-E952 VanDerWaalsContact O-CB 3.26Å; F948-E952 WeakPolarHBondContact O-CB 3.36Å; F948-E952 WeakPolarHBondContact O-CG 3.43Å; F948-E952 PolarHBondContact O-N 3.18Å |
| 949 | L | 93 | Very high | 91.9 | Very high | 0 Ų | 0 | 43.8 Ų | 43.8 | 0% | 0 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -58.9 | -34.8 | 177.1 | -68.6 | -177.1 | 0 | 0 | 0 | 113.3 | L919 Y945 A946 G953 S954 R957 L958 | L919-L949 HydrophobicContact CD1-CD2 4.49Å; Y945-L949 HydrophobicContact CD1-CD1 4.14Å; Y945-L949 HydrophobicContact CD2-CG 4.37Å; Y945-L949 HydrophobicContact CE1-CD1 3.62Å; Y945-L949 HydrophobicContact CE1-CG 4.3Å; Y945-L949 HydrophobicContact CE2-CD1 4.2Å; Y945-L949 HydrophobicContact CE2-CD2 4Å; Y945-L949 HydrophobicContact CE2-CG 4.04Å; Y945-L949 WeakPolarHBondContact O-CG 3.43Å; Y945-L949 PolarHBondContact O-N 3.37Å; A946-L949 PolarHBondContact O-N 2.9Å; L949-G953 PolarHBondContact O-N 3.09Å; L949-G953 VanDerWaalsContact O-N 3.1Å; L949-S954 PolarHBondContact O-N 2.87Å; L949-R957 HydrophobicContact CD1-CB 3.72Å; L949-R957 HydrophobicContact CD2-CB 3.85Å; L949-R957 HydrophobicContact CD2-CG 4.42Å; L949-R957 HydrophobicContact CG-CB 4.45Å; L949-L958 HydrophobicContact CB-CD1 4.19Å; L949-L958 HydrophobicContact CD1-CD1 4.35Å |
| 950 | V | 92.5 | Very high | 92 | Very high | 4 Ų | 4 | 43.9 Ų | 43.9 | 2% | 0.024 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -71.3 | -45.3 | 176.7 | 166.6 | 0 | 0 | 0 | 0 | 111.8 | A946 R947 F948 E952 G953 L958 V996 I997 N1000 F1003 | A946-V950 WeakPolarHBondContact O-CB 3.39Å; A946-V950 WeakPolarHBondContact O-CG2 3.24Å; A946-V950 PolarHBondContact O-N 3.37Å; R947-V950 PolarHBondContact O-N 3.14Å; F948-V950 VanDerWaalsContact C-N 3.25Å; F948-V950 PolarHBondContact O-N 2.85Å; V950-E952 VanDerWaalsContact C-N 3.34Å; V950-G953 PolarHBondContact O-N 3.24Å; V950-L958 HydrophobicContact CG2-CD1 4.12Å; V950-L958 HydrophobicContact CG2-CD2 3.66Å; V950-V996 HydrophobicContact CB-CG1 4.48Å; V950-V996 HydrophobicContact CG2-CG1 4.24Å; V950-I997 HydrophobicContact CG2-CB 4.47Å; V950-I997 HydrophobicContact CG2-CG1 4.02Å; V950-N1000 HydrophobicContact CG1-CB 3.48Å; V950-N1000 VanDerWaalsContact CG1-CB 3.48Å; V950-N1000 PolarHBondContact O-ND2 3.06Å; V950-F1003 HydrophobicContact CG1-CD2 4.31Å; V950-F1003 HydrophobicContact CG2-CD2 4.38Å |
| 951 | N | 89.4 | Confident | 92.2 | Very high | 98 Ų | 98 | 41.8 Ų | 41.8 | 52% | 0.524 | 19% | 0.189 | S | C | . | . | H | α-helix | trans | -62.4 | -42.4 | 176.4 | -71.7 | -15.3 | 0 | 0 | 0 | 111.4 | C876 R947 F948 G953 | C876-N951 PolarHBondContact SG-ND2 3.34Å; R947-N951 WeakPolarHBondContact O-CB 3.47Å; R947-N951 VanDerWaalsContact O-CG 3.25Å; R947-N951 PolarHBondContact O-N 3.46Å; R947-N951 PolarHBondContact O-ND2 3.16Å; F948-N951 PolarHBondContact O-N 3.29Å; N951-G953 VanDerWaalsContact C-N 3.3Å; N951-G953 PolarHBondContact O-N 2.63Å |
| 952 | E | 88.1 | Confident | 92.3 | Very high | 57 Ų | 57 | 41.6 Ų | 41.6 | 27% | 0.266 | 19% | 0.189 | S | C | . | . | H | α-helix | trans | -73.5 | -16.9 | 178.8 | -70.8 | -68.9 | 106 | 0 | 0 | 114.2 | Q915 F948 V950 | Q915-E952 VanDerWaalsContact CB-OE2 3.27Å; Q915-E952 WeakPolarHBondContact CB-OE2 3.47Å; Q915-E952 WeakPolarHBondContact CG-OE1 3.32Å; Q915-E952 WeakPolarHBondContact CG-OE2 3.48Å; Q915-E952 PolarHBondContact NE2-OE1 3.02Å; Q915-E952 PolarHBondContact NE2-OE2 3.45Å; F948-E952 HydrophobicContact CD1-CG 4.06Å; F948-E952 HydrophobicContact CD2-CG 4.11Å; F948-E952 HydrophobicContact CE1-CG 3.67Å; F948-E952 HydrophobicContact CE2-CG 3.74Å; F948-E952 HydrophobicContact CG-CG 4.25Å; F948-E952 HydrophobicContact CZ-CG 3.5Å; F948-E952 VanDerWaalsContact CZ-CG 3.5Å; F948-E952 VanDerWaalsContact O-CB 3.26Å; F948-E952 WeakPolarHBondContact O-CB 3.36Å; F948-E952 WeakPolarHBondContact O-CG 3.43Å; F948-E952 PolarHBondContact O-N 3.18Å; V950-E952 VanDerWaalsContact C-N 3.34Å |
| 953 | G | 88.5 | Confident | 92.2 | Very high | 8 Ų | 8 | 47.7 Ų | 47.7 | 8% | 0.082 | 22% | 0.215 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 73.2 | 27.5 | -177.1 | 0 | 0 | 0 | 0 | 0 | 114.7 | L949 V950 N951 E955 R1002 | L949-G953 PolarHBondContact O-N 3.09Å; L949-G953 VanDerWaalsContact O-N 3.1Å; V950-G953 PolarHBondContact O-N 3.24Å; N951-G953 VanDerWaalsContact C-N 3.3Å; N951-G953 PolarHBondContact O-N 2.63Å; G953-E955 PolarHBondContact O-N 3.45Å; G953-R1002 PolarHBondContact O-NH2 2.77Å |
| 954 | S | 89.3 | Confident | 92.1 | Very high | 32 Ų | 32 | 49.5 Ų | 49.5 | 22% | 0.224 | 22% | 0.222 | C | C | . | . | trans | -83 | 69.5 | -175.7 | -81.7 | 0 | 0 | 0 | 0 | 113.7 | L949 Y956 R957 L958 | L949-S954 PolarHBondContact O-N 2.87Å; S954-Y956 VanDerWaalsContact C-N 3.32Å; S954-Y956 PolarHBondContact O-N 3.49Å; S954-R957 PolarHBondContact O-N 2.97Å; S954-L958 PolarHBondContact O-N 3.23Å | ||
| 955 | E | 91.8 | Very high | 92.2 | Very high | 79 Ų | 79 | 49.2 Ų | 49.2 | 37% | 0.369 | 22% | 0.221 | S | C | . | . | H | α-helix | trans | -53.1 | -40.2 | -173.3 | -164.9 | 176.6 | 163.6 | 0 | 0 | 114.7 | G953 L958 R959 F1003 | G953-E955 PolarHBondContact O-N 3.45Å; E955-L958 PolarHBondContact O-N 3.27Å; E955-R959 HydrophobicContact CG-CG 4.36Å; E955-R959 WeakPolarHBondContact O-CB 3.41Å; E955-R959 WeakPolarHBondContact O-CG 3.45Å; E955-R959 PolarHBondContact O-N 3.17Å; E955-R959 IonicContact OE1-CZ 2.85Å; E955-R959 IonicContact OE1-NE 2.79Å; E955-R959 PolarHBondContact OE1-NE 3.07Å; E955-R959 IonicContact OE1-NH2 2.68Å; E955-R959 PolarHBondContact OE1-NH2 2.92Å; E955-F1003 HydrophobicContact CB-CE1 3.73Å; E955-F1003 HydrophobicContact CB-CZ 4.38Å; E955-F1003 HydrophobicContact CG-CD1 4.38Å; E955-F1003 HydrophobicContact CG-CE1 3.83Å |
| 956 | Y | 92.6 | Very high | 92 | Very high | 184 Ų | 184 | 48.4 Ų | 48.4 | 72% | 0.722 | 22% | 0.218 | S | C | * | . | H | α-helix | trans | -63.4 | -53.3 | -175.2 | -175.9 | -84.2 | 0 | 0 | 0 | 112.1 | S954 L958 R959 E960 | S954-Y956 VanDerWaalsContact C-N 3.32Å; S954-Y956 PolarHBondContact O-N 3.49Å; Y956-L958 VanDerWaalsContact C-N 3.26Å; Y956-L958 PolarHBondContact O-N 3.37Å; Y956-R959 PolarHBondContact O-N 3Å; Y956-E960 WeakPolarHBondContact O-CB 3.14Å; Y956-E960 PolarHBondContact O-N 3.4Å |
| 957 | R | 92.8 | Very high | 91.7 | Very high | 91 Ų | 91 | 49.2 Ų | 49.2 | 34% | 0.343 | 23% | 0.226 | S | C | . | . | H | α-helix | trans | -61.6 | -36.5 | 176.4 | -73.3 | -178.4 | 171.1 | 86.4 | 1.3 | 111.5 | E923 L949 S954 E960 L961 | E923-R957 IonicContact OE1-CZ 3.59Å; E923-R957 IonicContact OE1-NE 3.81Å; E923-R957 PolarHBondContact OE1-NE 3.46Å; E923-R957 VanDerWaalsContact OE1-NE 3.1Å; L949-R957 HydrophobicContact CD1-CB 3.72Å; L949-R957 HydrophobicContact CD2-CB 3.85Å; L949-R957 HydrophobicContact CD2-CG 4.42Å; L949-R957 HydrophobicContact CG-CB 4.45Å; S954-R957 PolarHBondContact O-N 2.97Å; R957-E960 WeakPolarHBondContact O-CB 3.48Å; R957-E960 PolarHBondContact O-N 3.5Å; R957-L961 WeakPolarHBondContact O-CB 3.48Å; R957-L961 PolarHBondContact O-N 3.23Å |
| 958 | L | 93.9 | Very high | 91.1 | Very high | 0 Ų | 0 | 48.4 Ų | 48.4 | 0% | 0 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -67.9 | -39 | 178.8 | -164.2 | 61.1 | 0 | 0 | 0 | 111.8 | L949 V950 S954 E955 Y956 C962 I997 F1003 L1006 | L949-L958 HydrophobicContact CB-CD1 4.19Å; L949-L958 HydrophobicContact CD1-CD1 4.35Å; V950-L958 HydrophobicContact CG2-CD1 4.12Å; V950-L958 HydrophobicContact CG2-CD2 3.66Å; S954-L958 PolarHBondContact O-N 3.23Å; E955-L958 PolarHBondContact O-N 3.27Å; Y956-L958 VanDerWaalsContact C-N 3.26Å; Y956-L958 PolarHBondContact O-N 3.37Å; L958-C962 WeakPolarHBondContact O-CB 3.4Å; L958-C962 PolarHBondContact O-N 3.02Å; L958-C962 PolarHBondContact O-SG 3.01Å; L958-I997 HydrophobicContact CD1-CD1 3.75Å; L958-I997 HydrophobicContact CD1-CG1 3.96Å; L958-I997 HydrophobicContact CD2-CD1 4.18Å; L958-I997 HydrophobicContact CD2-CG1 4.08Å; L958-I997 HydrophobicContact CD2-CG2 4.23Å; L958-I997 HydrophobicContact CG-CD1 3.84Å; L958-I997 HydrophobicContact CG-CG1 4.21Å; L958-F1003 HydrophobicContact CD2-CD1 4.25Å; L958-F1003 HydrophobicContact CD2-CD2 3.96Å; L958-F1003 HydrophobicContact CD2-CE1 4.37Å; L958-F1003 HydrophobicContact CD2-CE2 4.07Å; L958-F1003 HydrophobicContact CD2-CG 4.05Å; L958-F1003 HydrophobicContact CD2-CZ 4.26Å; L958-L1006 HydrophobicContact CB-CD2 4.24Å; L958-L1006 HydrophobicContact CD2-CD2 3.75Å; L958-L1006 HydrophobicContact CG-CD2 3.84Å |
| 959 | R | 94.3 | Very high | 90.1 | Very high | 56 Ų | 56 | 49.4 Ų | 49.4 | 21% | 0.211 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -66.3 | -40.3 | 170.8 | -78.5 | 178.2 | -180 | -73.8 | -5.2 | 112.7 | E955 Y956 C962 K963 L1006 E1009 | E955-R959 HydrophobicContact CG-CG 4.36Å; E955-R959 WeakPolarHBondContact O-CB 3.41Å; E955-R959 WeakPolarHBondContact O-CG 3.45Å; E955-R959 PolarHBondContact O-N 3.17Å; E955-R959 IonicContact OE1-CZ 2.85Å; E955-R959 IonicContact OE1-NE 2.79Å; E955-R959 PolarHBondContact OE1-NE 3.07Å; E955-R959 IonicContact OE1-NH2 2.68Å; E955-R959 PolarHBondContact OE1-NH2 2.92Å; Y956-R959 PolarHBondContact O-N 3Å; R959-C962 PolarHBondContact O-N 2.87Å; R959-K963 VanDerWaalsContact O-CG 3.26Å; R959-K963 WeakPolarHBondContact O-CG 3.39Å; R959-K963 PolarHBondContact O-N 3.09Å; R959-L1006 HydrophobicContact CG-CD1 3.54Å; R959-L1006 HydrophobicContact CG-CD2 4.21Å; R959-E1009 IonicContact CZ-OE2 3.01Å; R959-E1009 IonicContact NH1-OE1 3.1Å; R959-E1009 PolarHBondContact NH1-OE1 3.15Å; R959-E1009 IonicContact NH1-OE2 4Å; R959-E1009 PolarHBondContact NH1-OE2 3.4Å; R959-E1009 IonicContact NH2-OE2 3.11Å |
| 960 | E | 94.1 | Very high | 88.7 | Confident | 108 Ų | 108 | 55.4 Ų | 55.4 | 51% | 0.505 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -60.2 | -50.3 | 175.4 | -178.8 | 165.4 | -136.5 | 0 | 0 | 111 | Y956 R957 C962 K963 E964 | Y956-E960 WeakPolarHBondContact O-CB 3.14Å; Y956-E960 PolarHBondContact O-N 3.4Å; R957-E960 WeakPolarHBondContact O-CB 3.48Å; R957-E960 PolarHBondContact O-N 3.5Å; E960-C962 PolarHBondContact O-N 3.12Å; E960-K963 PolarHBondContact O-N 3.34Å; E960-E964 PolarHBondContact O-N 3.34Å |
| 961 | L | 94.3 | Very high | 86.8 | Confident | 14 Ų | 14 | 65.5 Ų | 65.5 | 7% | 0.073 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -56.5 | -47.3 | 174.7 | -171.6 | 64.9 | 0 | 0 | 0 | 112.3 | L942 Y945 A946 R957 K963 E964 L965 | L942-L961 HydrophobicContact CD1-CD1 3.88Å; Y945-L961 HydrophobicContact CD1-CD2 4.3Å; Y945-L961 HydrophobicContact CE1-CD2 4.43Å; A946-L961 HydrophobicContact CB-CD2 4.31Å; R957-L961 WeakPolarHBondContact O-CB 3.48Å; R957-L961 PolarHBondContact O-N 3.23Å; L961-K963 PolarHBondContact O-N 3.27Å; L961-E964 PolarHBondContact O-N 2.91Å; L961-L965 HydrophobicContact CD1-CD1 4.35Å; L961-L965 HydrophobicContact CG-CD1 4.21Å; L961-L965 WeakPolarHBondContact O-CB 3.23Å; L961-L965 WeakPolarHBondContact O-CG 3.46Å; L961-L965 PolarHBondContact O-N 3.38Å |
| 962 | C | 93.6 | Very high | 85 | Confident | 0 Ų | 0 | 65 Ų | 65 | 0% | 0 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -65.1 | -37.1 | 179.5 | -66.5 | 0 | 0 | 0 | 0 | 112.7 | L958 R959 E960 L966 L990 I997 Y1010 | L958-C962 WeakPolarHBondContact O-CB 3.4Å; L958-C962 PolarHBondContact O-N 3.02Å; L958-C962 PolarHBondContact O-SG 3.01Å; R959-C962 PolarHBondContact O-N 2.87Å; E960-C962 PolarHBondContact O-N 3.12Å; C962-L966 WeakPolarHBondContact O-CB 3.34Å; C962-L966 PolarHBondContact O-N 2.9Å; C962-L990 HydrophobicContact CB-CD1 4.22Å; C962-I997 WeakPolarHBondContact SG-CD1 3.45Å; C962-Y1010 HydrophobicContact CB-CD1 3.51Å; C962-Y1010 HydrophobicContact CB-CD2 4.15Å; C962-Y1010 HydrophobicContact CB-CE1 3.65Å; C962-Y1010 HydrophobicContact CB-CE2 4.29Å; C962-Y1010 HydrophobicContact CB-CG 3.81Å |
| 963 | K | 91.5 | Very high | 83.2 | Confident | 130 Ų | 130 | 68 Ų | 68 | 57% | 0.565 | 35% | 0.346 | S | S | * | . | H | α-helix | trans | -65.3 | -44.6 | 173.5 | -73 | 169.6 | -176.9 | 178.2 | 0 | 112 | R959 E960 L961 L965 L966 G967 Y1010 | R959-K963 VanDerWaalsContact O-CG 3.26Å; R959-K963 WeakPolarHBondContact O-CG 3.39Å; R959-K963 PolarHBondContact O-N 3.09Å; E960-K963 PolarHBondContact O-N 3.34Å; L961-K963 PolarHBondContact O-N 3.27Å; K963-L965 VanDerWaalsContact C-N 3.28Å; K963-L965 PolarHBondContact O-N 3.37Å; K963-L966 PolarHBondContact O-N 2.9Å; K963-G967 PolarHBondContact O-N 3.23Å; K963-Y1010 WeakPolarHBondContact CE-OH 3.24Å; K963-Y1010 HydrophobicContact CG-CE1 4.08Å; K963-Y1010 WeakPolarHBondContact CG-OH 3.43Å |
| 964 | E | 91.1 | Very high | 81.5 | Confident | 80 Ų | 80 | 72.1 Ų | 72.1 | 37% | 0.374 | 38% | 0.379 | S | S | . | . | H | α-helix | trans | -63.7 | -36.2 | -179.3 | -155.9 | -120.1 | 120.5 | 0 | 0 | 111.5 | E960 L961 W977 K986 | E960-E964 PolarHBondContact O-N 3.34Å; L961-E964 PolarHBondContact O-N 2.91Å; E964-W977 PolarHBondContact O-NE1 3.02Å; E964-K986 WeakPolarHBondContact O-CD 3.11Å; E964-K986 IonicContact OE1-NZ 2.79Å; E964-K986 PolarHBondContact OE1-NZ 2.94Å |
| 965 | L | 92.3 | Very high | 80 | Confident | 0 Ų | 0 | 73.5 Ų | 73.5 | 0% | 0 | 39% | 0.389 | C | S | . | . | H | α-helix | trans | -81.6 | -29.7 | 177.7 | -65.2 | 177.9 | 0 | 0 | 0 | 114.5 | L942 L961 K963 K986 R987 L989 L990 V993 | L942-L965 HydrophobicContact CD2-CD1 4.48Å; L961-L965 HydrophobicContact CD1-CD1 4.35Å; L961-L965 HydrophobicContact CG-CD1 4.21Å; L961-L965 WeakPolarHBondContact O-CB 3.23Å; L961-L965 WeakPolarHBondContact O-CG 3.46Å; L961-L965 PolarHBondContact O-N 3.38Å; K963-L965 VanDerWaalsContact C-N 3.28Å; K963-L965 PolarHBondContact O-N 3.37Å; L965-K986 HydrophobicContact CD2-CB 4.17Å; L965-K986 HydrophobicContact CD2-CG 4.37Å; L965-K986 CarbonylContact O-C 3.4Å; L965-K986 VanDerWaalsContact O-C 3.26Å; L965-K986 WeakPolarHBondContact O-CB 3.42Å; L965-R987 PolarHBondContact O-N 3.25Å; L965-L989 HydrophobicContact CD1-CB 4.4Å; L965-L989 HydrophobicContact CD2-CB 4.15Å; L965-L989 HydrophobicContact CD2-CD1 4.41Å; L965-L990 HydrophobicContact CB-CB 3.98Å; L965-L990 HydrophobicContact CB-CD1 4.26Å; L965-V993 HydrophobicContact CD1-CG2 4.23Å |
| 966 | L | 90.4 | Very high | 79.1 | Confident | 5 Ų | 5 | 74.3 Ų | 74.3 | 3% | 0.026 | 40% | 0.403 | C | S | . | . | H | α-helix | trans | -77.2 | -44.9 | 178.2 | -175.8 | 68 | 0 | 0 | 0 | 112.6 | C962 K963 V969 R987 L990 Y1010 Q1013 L1014 L1017 | C962-L966 WeakPolarHBondContact O-CB 3.34Å; C962-L966 PolarHBondContact O-N 2.9Å; K963-L966 PolarHBondContact O-N 2.9Å; L966-V969 HydrophobicContact CD2-CG2 4.01Å; L966-R987 PolarHBondContact O-NE 3.42Å; L966-R987 PolarHBondContact O-NH2 3.11Å; L966-L990 HydrophobicContact CB-CD2 3.75Å; L966-L990 HydrophobicContact CD1-CD2 3.78Å; L966-L990 HydrophobicContact CG-CD2 4.36Å; L966-Y1010 HydrophobicContact CB-CD1 4.34Å; L966-Y1010 HydrophobicContact CD2-CD1 3.81Å; L966-Y1010 HydrophobicContact CD2-CE1 4.03Å; L966-Q1013 HydrophobicContact CD1-CB 4.43Å; L966-Q1013 HydrophobicContact CD2-CB 3.84Å; L966-L1014 HydrophobicContact CD1-CB 4.2Å; L966-L1014 HydrophobicContact CD1-CD1 4.14Å; L966-L1017 HydrophobicContact CD1-CD1 3.78Å; L966-L1017 HydrophobicContact CG-CD1 4.35Å |
| 967 | G | 86.3 | Confident | 78.7 | Confident | 16 Ų | 16 | 68.3 Ų | 68.3 | 17% | 0.165 | 38% | 0.379 | C | S | . | . | trans | 69.1 | -166 | -173.1 | 0 | 0 | 0 | 0 | 0 | 114.5 | K963 V969 | K963-G967 PolarHBondContact O-N 3.23Å; G967-V969 PolarHBondContact O-N 3.47Å | ||
| 968 | P | 81.2 | Confident | 78.2 | Confident | 47 Ų | 47 | 70.8 Ų | 70.8 | 31% | 0.305 | 40% | 0.395 | S | S | . | . | trans | -67.8 | 129.3 | -179.6 | 29.8 | -36.6 | 0 | 0 | 0 | 111.8 | H970 W977 R987 | P968-H970 VanDerWaalsContact C-N 3.26Å; P968-H970 PolarHBondContact O-N 3.25Å; P968-W977 HydrophobicContact CG-CB 4.5Å; P968-W977 HydrophobicContact CG-CE3 4.37Å; P968-R987 PolarHBondContact O-NH2 3.2Å | ||
| 969 | V | 70.8 | Confident | 77.8 | Confident | 29 Ų | 29 | 74.5 Ų | 74.5 | 18% | 0.176 | 42% | 0.419 | C | S | . | . | S | Bend | trans | -76.5 | -14.3 | 177.5 | -173.3 | 0 | 0 | 0 | 0 | 112 | L966 G967 Q1013 L1016 L1017 | L966-V969 HydrophobicContact CD2-CG2 4.01Å; G967-V969 PolarHBondContact O-N 3.47Å; V969-Q1013 HydrophobicContact CG2-CB 4.46Å; V969-L1016 HydrophobicContact CG1-CD2 4.2Å; V969-L1017 HydrophobicContact CB-CD1 4.49Å; V969-L1017 HydrophobicContact CG1-CD1 4.37Å; V969-L1017 HydrophobicContact CG1-CD2 4.43Å; V969-L1017 HydrophobicContact CG1-CG 4.17Å; V969-L1017 HydrophobicContact CG2-CD1 4.29Å |
| 970 | H | 64.8 | Low | 77.6 | Confident | 125 Ų | 125 | 73.2 Ų | 73.2 | 58% | 0.579 | 42% | 0.421 | S | S | * | . | S | Bend | trans | -131.6 | 146.2 | -178.8 | -59.1 | -10.5 | 0 | 0 | 0 | 111.1 | P968 S972 | P968-H970 VanDerWaalsContact C-N 3.26Å; P968-H970 PolarHBondContact O-N 3.25Å; H970-S972 VanDerWaalsContact C-N 3.31Å; H970-S972 PolarHBondContact O-N 3.26Å |
| 971 | K | 52.1 | Low | 77.3 | Confident | 217 Ų | 217 | 69 Ų | 69 | 94% | 0.943 | 40% | 0.402 | S | S | * | . | trans | -76.1 | 74.8 | 179.2 | -69.8 | -179.6 | 179.6 | 171.5 | 0 | 111.7 | ||||
| 972 | S | 51.1 | Low | 76.9 | Confident | 86 Ų | 86 | 70.9 Ų | 70.9 | 60% | 0.601 | 41% | 0.412 | S | S | * | . | trans | -85.4 | 131.7 | 167.4 | -64.5 | 0 | 0 | 0 | 0 | 110.5 | H970 A974 S975 | H970-S972 VanDerWaalsContact C-N 3.31Å; H970-S972 PolarHBondContact O-N 3.26Å; S972-A974 PolarHBondContact O-N 3.46Å; S972-S975 PolarHBondContact O-N 2.93Å | ||
| 973 | A | 49.9 | Very low | 76.5 | Confident | 122 Ų | 122 | 74 Ų | 74 | 100% | 1.008 | 45% | 0.445 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.9 | 17 | -173.5 | 0 | 0 | 0 | 0 | 0 | 115.9 | ||
| 974 | A | 54.3 | Low | 76.5 | Confident | 93 Ų | 93 | 69.8 Ų | 69.8 | 77% | 0.769 | 43% | 0.428 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -136.7 | 15.1 | -173.3 | 0 | 0 | 0 | 0 | 0 | 113.6 | S972 | S972-A974 PolarHBondContact O-N 3.46Š|
| 975 | S | 57.9 | Low | 76.5 | Confident | 61 Ų | 61 | 70.5 Ų | 70.5 | 43% | 0.427 | 43% | 0.431 | S | S | . | . | trans | -89.7 | 119.3 | 176 | -167.5 | 0 | 0 | 0 | 0 | 111.3 | S972 W977 | S972-S975 PolarHBondContact O-N 2.93Å; S975-W977 PolarHBondContact O-N 3.33Å | ||
| 976 | S | 71.4 | Confident | 76.6 | Confident | 97 Ų | 97 | 71.3 Ų | 71.3 | 68% | 0.678 | 44% | 0.435 | S | S | * | . | trans | -79.7 | 8.1 | 174.3 | 52.6 | 0 | 0 | 0 | 0 | 114.1 | Q978 | S976-Q978 PolarHBondContact O-N 3.48Š| ||
| 977 | W | 84.9 | Confident | 76.6 | Confident | 57 Ų | 57 | 73.9 Ų | 73.9 | 22% | 0.216 | 44% | 0.444 | C | S | . | . | trans | -71.9 | 121.4 | -176.3 | 179.5 | 85.5 | 0 | 0 | 0 | 112.2 | E964 P968 S975 P979 K986 R987 | E964-W977 PolarHBondContact O-NE1 3.02Å; P968-W977 HydrophobicContact CG-CB 4.5Å; P968-W977 HydrophobicContact CG-CE3 4.37Å; S975-W977 PolarHBondContact O-N 3.33Å; W977-P979 HydrophobicContact CE3-CB 4.28Å; W977-P979 HydrophobicContact CH2-CB 4.05Å; W977-P979 VanDerWaalsContact CZ3-CA 3.5Å; W977-P979 HydrophobicContact CZ3-CB 3.63Å; W977-K986 HydrophobicContact CH2-CB 4.44Å; W977-K986 HydrophobicContact CZ2-CB 3.81Å; W977-K986 HydrophobicContact CZ2-CD 3.89Å; W977-K986 HydrophobicContact CZ2-CG 4.36Å; W977-R987 HydrophobicContact CH2-CG 4.18Å | ||
| 978 | Q | 82.8 | Confident | 76.9 | Confident | 143 Ų | 143 | 77.1 Ų | 77.1 | 67% | 0.668 | 46% | 0.455 | S | S | * | . | trans | -83.8 | 127.7 | 175.8 | -64.2 | -175.7 | -1.1 | 0 | 0 | 110.9 | S976 A980 K986 | S976-Q978 PolarHBondContact O-N 3.48Å; Q978-A980 PolarHBondContact O-N 2.94Å; Q978-K986 WeakPolarHBondContact O-CD 3.49Å; Q978-K986 VanDerWaalsContact O-CE 3.26Å; Q978-K986 WeakPolarHBondContact O-CE 3.29Å | ||
| 979 | P | 85.7 | Confident | 77.5 | Confident | 78 Ų | 78 | 75 Ų | 75 | 51% | 0.506 | 44% | 0.441 | S | S | . | . | S | Bend | trans | -76.7 | -5.9 | -174.4 | 31.3 | -37 | 0 | 0 | 0 | 114.8 | W977 H985 K986 | W977-P979 HydrophobicContact CE3-CB 4.28Å; W977-P979 HydrophobicContact CH2-CB 4.05Å; W977-P979 VanDerWaalsContact CZ3-CA 3.5Å; W977-P979 HydrophobicContact CZ3-CB 3.63Å; P979-H985 WeakPolarHBondContact O-CA 3.35Å; P979-K986 PolarHBondContact O-N 2.93Å |
| 980 | A | 88.9 | Confident | 78.6 | Confident | 30 Ų | 30 | 73.7 Ų | 73.7 | 25% | 0.248 | 43% | 0.433 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.4 | 147.9 | 177.9 | 0 | 0 | 0 | 0 | 0 | 111.3 | Q978 L984 | Q978-A980 PolarHBondContact O-N 2.94Å; A980-L984 CarbonylContact C-O 3.52Å; A980-L984 WeakPolarHBondContact CA-O 3.17Å; A980-L984 WeakPolarHBondContact CB-O 3.26Å |
| 981 | T | 88 | Confident | 79.9 | Confident | 19 Ų | 19 | 74 Ų | 74 | 12% | 0.117 | 43% | 0.429 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.9 | 126.1 | 171.8 | -71.2 | 0 | 0 | 0 | 0 | 107.7 | L930 Y938 G983 L984 K986 | L930-T981 HydrophobicContact CD1-CG2 3.58Å; Y938-T981 HydrophobicContact CD1-CG2 4.37Å; Y938-T981 HydrophobicContact CE1-CG2 3.87Å; T981-G983 PolarHBondContact O-N 3.3Å; T981-G983 VanDerWaalsContact O-N 3.13Å; T981-L984 PolarHBondContact N-O 2.98Å; T981-L984 WeakPolarHBondContact O-CB 3.41Å; T981-L984 PolarHBondContact O-N 3.1Å; T981-K986 WeakPolarHBondContact OG1-CE 2.95Å |
| 982 | L | 86.2 | Confident | 81.9 | Confident | 53 Ų | 53 | 66.3 Ų | 66.3 | 28% | 0.277 | 40% | 0.396 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 51.7 | 32.6 | -176.9 | -54.4 | -176.2 | 0 | 0 | 0 | 114.4 | L930 Q933 A935 Y938 L984 | L930-L982 HydrophobicContact CD1-CD1 4.17Å; L930-L982 HydrophobicContact CD1-CD2 4.19Å; L930-L982 HydrophobicContact CD1-CG 3.99Å; Q933-L982 HydrophobicContact CB-CD2 3.93Å; Q933-L982 HydrophobicContact CG-CD2 4.18Å; A935-L982 HydrophobicContact CB-CB 3.91Å; Y938-L982 HydrophobicContact CG-CD1 4.46Å; L982-L984 VanDerWaalsContact C-N 3.26Å; L982-L984 PolarHBondContact O-N 3.43Å |
| 983 | G | 85.8 | Confident | 83.9 | Confident | 67 Ų | 67 | 62.2 Ų | 62.2 | 69% | 0.691 | 37% | 0.368 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 80.7 | -6.5 | -176.1 | 0 | 0 | 0 | 0 | 0 | 115.3 | T981 | T981-G983 PolarHBondContact O-N 3.3Å; T981-G983 VanDerWaalsContact O-N 3.13Å |
| 984 | L | 90.7 | Very high | 86 | Confident | 40 Ų | 40 | 56.8 Ų | 56.8 | 21% | 0.209 | 32% | 0.322 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.4 | 128.4 | 173.8 | -56.9 | 171.4 | 0 | 0 | 0 | 109.9 | A935 R939 A980 T981 L982 K986 L989 | A935-L984 HydrophobicContact CB-CD1 4.04Å; A935-L984 HydrophobicContact CB-CG 4.15Å; A935-L984 WeakPolarHBondContact O-CD1 3.46Å; R939-L984 HydrophobicContact CB-CD1 3.98Å; A980-L984 CarbonylContact C-O 3.52Å; A980-L984 WeakPolarHBondContact CA-O 3.17Å; A980-L984 WeakPolarHBondContact CB-O 3.26Å; T981-L984 PolarHBondContact N-O 2.98Å; T981-L984 WeakPolarHBondContact O-CB 3.41Å; T981-L984 PolarHBondContact O-N 3.1Å; L982-L984 VanDerWaalsContact C-N 3.26Å; L982-L984 PolarHBondContact O-N 3.43Å; L984-K986 PolarHBondContact O-N 3.49Å; L984-L989 HydrophobicContact CB-CD1 4.06Å; L984-L989 HydrophobicContact CB-CG 4.39Å; L984-L989 HydrophobicContact CD1-CD1 4.43Å; L984-L989 HydrophobicContact CD1-CD2 4.31Å |
| 985 | H | 91.8 | Very high | 87.8 | Confident | 96 Ų | 96 | 55.6 Ų | 55.6 | 44% | 0.444 | 31% | 0.306 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.6 | 126.8 | 175.9 | -69.2 | -61 | 0 | 0 | 0 | 111 | P979 R987 E988 L989 | P979-H985 WeakPolarHBondContact O-CA 3.35Å; H985-R987 PolarHBondContact O-N 2.94Å; H985-E988 HydrophobicContact CB-CB 4.2Å; H985-E988 HydrophobicContact CB-CG 4.26Å; H985-E988 IonicContact CD2-OE1 2.76Å; H985-E988 IonicContact CD2-OE2 3.61Å; H985-E988 PolarHBondContact CD2-OE2 2.88Å; H985-E988 IonicContact CG-OE2 3.28Å; H985-E988 WeakPolarHBondContact O-CB 3.26Å; H985-E988 PolarHBondContact O-N 2.98Å; H985-L989 PolarHBondContact O-N 3.46Å; H985-L989 VanDerWaalsContact O-N 3.17Å |
| 986 | K | 92.9 | Very high | 89.4 | Confident | 17 Ų | 17 | 53 Ų | 53 | 7% | 0.074 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -58.4 | -36.2 | -178.5 | -70 | -161.1 | -178.1 | -168.1 | 0 | 112.8 | E964 L965 W977 Q978 P979 T981 L984 E988 L989 L990 | E964-K986 WeakPolarHBondContact O-CD 3.11Å; E964-K986 IonicContact OE1-NZ 2.79Å; E964-K986 PolarHBondContact OE1-NZ 2.94Å; L965-K986 HydrophobicContact CD2-CB 4.17Å; L965-K986 HydrophobicContact CD2-CG 4.37Å; L965-K986 CarbonylContact O-C 3.4Å; L965-K986 VanDerWaalsContact O-C 3.26Å; L965-K986 WeakPolarHBondContact O-CB 3.42Å; W977-K986 HydrophobicContact CH2-CB 4.44Å; W977-K986 HydrophobicContact CZ2-CB 3.81Å; W977-K986 HydrophobicContact CZ2-CD 3.89Å; W977-K986 HydrophobicContact CZ2-CG 4.36Å; Q978-K986 WeakPolarHBondContact O-CD 3.49Å; Q978-K986 VanDerWaalsContact O-CE 3.26Å; Q978-K986 WeakPolarHBondContact O-CE 3.29Å; P979-K986 PolarHBondContact O-N 2.93Å; T981-K986 WeakPolarHBondContact OG1-CE 2.95Å; L984-K986 PolarHBondContact O-N 3.49Å; K986-E988 VanDerWaalsContact C-N 3.29Å; K986-E988 PolarHBondContact O-N 3.33Å; K986-L989 PolarHBondContact O-N 3.28Å; K986-L990 PolarHBondContact O-N 3.27Å |
| 987 | R | 92.3 | Very high | 90.4 | Very high | 59 Ų | 59 | 48.4 Ų | 48.4 | 22% | 0.223 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -73.4 | -14.7 | 176.3 | -70.3 | 177.9 | -177.6 | 175.9 | -1.4 | 114.4 | L965 L966 P968 W977 H985 R991 L1014 | L965-R987 PolarHBondContact O-N 3.25Å; L966-R987 PolarHBondContact O-NE 3.42Å; L966-R987 PolarHBondContact O-NH2 3.11Å; P968-R987 PolarHBondContact O-NH2 3.2Å; W977-R987 HydrophobicContact CH2-CG 4.18Å; H985-R987 PolarHBondContact O-N 2.94Å; R987-R991 WeakPolarHBondContact O-CG 3.27Å; R987-L1014 HydrophobicContact CB-CD1 4.01Å; R987-L1014 HydrophobicContact CG-CD1 4.12Å |
| 988 | E | 91.9 | Very high | 90.5 | Very high | 83 Ų | 83 | 47.2 Ų | 47.2 | 39% | 0.388 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -82.7 | -46.1 | 168.9 | -84.3 | 155.5 | -163.4 | 0 | 0 | 110.4 | H985 K986 L990 R991 E992 | H985-E988 HydrophobicContact CB-CB 4.2Å; H985-E988 HydrophobicContact CB-CG 4.26Å; H985-E988 IonicContact CD2-OE1 2.76Å; H985-E988 IonicContact CD2-OE2 3.61Å; H985-E988 PolarHBondContact CD2-OE2 2.88Å; H985-E988 IonicContact CG-OE2 3.28Å; H985-E988 WeakPolarHBondContact O-CB 3.26Å; H985-E988 PolarHBondContact O-N 2.98Å; K986-E988 VanDerWaalsContact C-N 3.29Å; K986-E988 PolarHBondContact O-N 3.33Å; E988-L990 PolarHBondContact O-N 3.46Å; E988-R991 WeakPolarHBondContact O-CA 3.45Å; E988-R991 WeakPolarHBondContact O-CB 3.43Å; E988-R991 PolarHBondContact O-N 2.99Å; E988-R991 IonicContact OE1-NH1 3.69Å; E988-E992 PolarHBondContact O-N 3.35Å |
| 989 | L | 93.3 | Very high | 90.8 | Very high | 4 Ų | 4 | 47 Ų | 47 | 2% | 0.021 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -55.4 | -36.8 | 171.7 | -61.3 | 174.3 | 0 | 0 | 0 | 111.8 | Y938 R939 L942 L965 L984 H985 K986 R991 E992 V993 | Y938-L989 HydrophobicContact CE1-CD1 4.17Å; R939-L989 HydrophobicContact CB-CD2 4.24Å; R939-L989 HydrophobicContact CG-CD2 3.79Å; L942-L989 HydrophobicContact CD2-CB 3.93Å; L942-L989 HydrophobicContact CD2-CD1 3.89Å; L942-L989 HydrophobicContact CD2-CD2 4.15Å; L942-L989 HydrophobicContact CD2-CG 4.21Å; L965-L989 HydrophobicContact CD1-CB 4.4Å; L965-L989 HydrophobicContact CD2-CB 4.15Å; L965-L989 HydrophobicContact CD2-CD1 4.41Å; L984-L989 HydrophobicContact CB-CD1 4.06Å; L984-L989 HydrophobicContact CB-CG 4.39Å; L984-L989 HydrophobicContact CD1-CD1 4.43Å; L984-L989 HydrophobicContact CD1-CD2 4.31Å; H985-L989 PolarHBondContact O-N 3.46Å; H985-L989 VanDerWaalsContact O-N 3.17Å; K986-L989 PolarHBondContact O-N 3.28Å; L989-R991 PolarHBondContact O-N 3.36Å; L989-E992 PolarHBondContact O-N 2.9Å; L989-V993 WeakPolarHBondContact O-CG2 3.46Å; L989-V993 PolarHBondContact O-N 2.98Å |
| 990 | L | 93.8 | Very high | 90.9 | Very high | 0 Ų | 0 | 45.5 Ų | 45.5 | 0% | 0 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -63.2 | -36.2 | 172.7 | -170.4 | 56.9 | 0 | 0 | 0 | 113.4 | C962 L965 L966 K986 E988 E992 V993 L994 L1014 | C962-L990 HydrophobicContact CB-CD1 4.22Å; L965-L990 HydrophobicContact CB-CB 3.98Å; L965-L990 HydrophobicContact CB-CD1 4.26Å; L966-L990 HydrophobicContact CB-CD2 3.75Å; L966-L990 HydrophobicContact CD1-CD2 3.78Å; L966-L990 HydrophobicContact CG-CD2 4.36Å; K986-L990 PolarHBondContact O-N 3.27Å; E988-L990 PolarHBondContact O-N 3.46Å; L990-E992 PolarHBondContact O-N 2.74Å; L990-V993 PolarHBondContact O-N 3Å; L990-L994 HydrophobicContact CD1-CD1 4.36Å; L990-L994 HydrophobicContact CD1-CG 4.04Å; L990-L994 HydrophobicContact CG-CD1 3.95Å; L990-L994 HydrophobicContact CG-CG 4.15Å; L990-L994 WeakPolarHBondContact O-CB 3.31Å; L990-L994 VanDerWaalsContact O-CG 3.24Å; L990-L994 WeakPolarHBondContact O-CG 3.07Å; L990-L994 PolarHBondContact O-N 3Å; L990-L1014 HydrophobicContact CB-CD2 4.35Å; L990-L1014 HydrophobicContact CD2-CD1 4.45Å; L990-L1014 HydrophobicContact CD2-CD2 4.09Å; L990-L1014 HydrophobicContact CG-CD2 4.09Å |
| 991 | R | 92.8 | Very high | 90.9 | Very high | 131 Ų | 131 | 50.9 Ų | 50.9 | 49% | 0.494 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -68.2 | -23.5 | 175.3 | -63.4 | 174.9 | -154 | 135.1 | 9 | 112.5 | R987 E988 L989 P995 L1014 | R987-R991 WeakPolarHBondContact O-CG 3.27Å; E988-R991 WeakPolarHBondContact O-CA 3.45Å; E988-R991 WeakPolarHBondContact O-CB 3.43Å; E988-R991 PolarHBondContact O-N 2.99Å; E988-R991 IonicContact OE1-NH1 3.69Å; L989-R991 PolarHBondContact O-N 3.36Å; R991-P995 WeakPolarHBondContact O-CD 3.4Å; R991-P995 WeakPolarHBondContact O-CG 3.31Å; R991-L1014 HydrophobicContact CG-CD2 3.69Å |
| 992 | E | 93.1 | Very high | 91 | Very high | 57 Ų | 57 | 57.5 Ų | 57.5 | 27% | 0.266 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -87 | -32.7 | 175.8 | -60.5 | 178.9 | -130.6 | 0 | 0 | 112.2 | R939 L943 E988 L989 L990 | R939-E992 IonicContact CZ-OE1 2.68Å; R939-E992 IonicContact CZ-OE2 3.4Å; R939-E992 IonicContact NE-OE1 3.42Å; R939-E992 PolarHBondContact NE-OE1 3.3Å; R939-E992 VanDerWaalsContact NE-OE1 3.11Å; R939-E992 IonicContact NE-OE2 3.19Å; R939-E992 PolarHBondContact NE-OE2 3.29Å; R939-E992 IonicContact NH2-OE1 2.62Å; R939-E992 PolarHBondContact NH2-OE1 2.86Å; R939-E992 IonicContact NH2-OE2 2.63Å; R939-E992 PolarHBondContact NH2-OE2 3.24Å; L943-E992 HydrophobicContact CD2-CB 3.86Å; E988-E992 PolarHBondContact O-N 3.35Å; L989-E992 PolarHBondContact O-N 2.9Å; L990-E992 PolarHBondContact O-N 2.74Å |
| 993 | V | 93.9 | Very high | 91.3 | Very high | 0 Ų | 0 | 55 Ų | 55 | 0% | 0 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -74.5 | -38.4 | 175 | 167.3 | 0 | 0 | 0 | 0 | 112 | L943 A946 L965 L989 L990 V996 I997 | L943-V993 HydrophobicContact CD2-CG2 4.08Å; A946-V993 HydrophobicContact CB-CG1 4.02Å; A946-V993 HydrophobicContact CB-CG2 4.13Å; L965-V993 HydrophobicContact CD1-CG2 4.23Å; L989-V993 WeakPolarHBondContact O-CG2 3.46Å; L989-V993 PolarHBondContact O-N 2.98Å; L990-V993 PolarHBondContact O-N 3Å; V993-V996 WeakPolarHBondContact O-CB 3.39Å; V993-V996 PolarHBondContact O-N 2.93Å; V993-I997 HydrophobicContact CG1-CD1 3.85Å; V993-I997 HydrophobicContact CG1-CG1 4.24Å; V993-I997 PolarHBondContact O-N 3.2Å |
| 994 | L | 93.6 | Very high | 91.6 | Very high | 8 Ų | 8 | 57.5 Ų | 57.5 | 4% | 0.042 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -57.9 | -46.2 | -176.3 | -81.2 | 169.3 | 0 | 0 | 0 | 114.2 | L990 V996 I997 G998 F1007 L1014 | L990-L994 HydrophobicContact CD1-CD1 4.36Å; L990-L994 HydrophobicContact CD1-CG 4.04Å; L990-L994 HydrophobicContact CG-CD1 3.95Å; L990-L994 HydrophobicContact CG-CG 4.15Å; L990-L994 WeakPolarHBondContact O-CB 3.31Å; L990-L994 VanDerWaalsContact O-CG 3.24Å; L990-L994 WeakPolarHBondContact O-CG 3.07Å; L990-L994 PolarHBondContact O-N 3Å; L994-V996 VanDerWaalsContact C-N 3.27Å; L994-V996 PolarHBondContact O-N 3.46Å; L994-I997 WeakPolarHBondContact O-CA 3.48Å; L994-I997 WeakPolarHBondContact O-CB 3.43Å; L994-I997 PolarHBondContact O-N 3.37Å; L994-G998 PolarHBondContact O-N 2.99Å; L994-F1007 HydrophobicContact CB-CD2 4.08Å; L994-F1007 HydrophobicContact CB-CE2 4.04Å; L994-F1007 HydrophobicContact CD2-CD2 4.08Å; L994-F1007 WeakPolarHBondContact O-CD2 3.34Å; L994-F1007 WeakPolarHBondContact O-CE2 3.41Å; L994-L1014 HydrophobicContact CD1-CD2 3.79Å |
| 995 | P | 92.4 | Very high | 91.5 | Very high | 68 Ų | 68 | 65.6 Ų | 65.6 | 44% | 0.442 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -53.4 | -41.8 | 174.8 | -29.3 | 36.1 | 0 | 0 | 0 | 113.6 | R991 I997 G998 E999 | R991-P995 WeakPolarHBondContact O-CD 3.4Å; R991-P995 WeakPolarHBondContact O-CG 3.31Å; P995-I997 VanDerWaalsContact C-N 3.29Å; P995-I997 PolarHBondContact O-N 2.76Å; P995-G998 WeakPolarHBondContact O-CA 3.34Å; P995-G998 PolarHBondContact O-N 3.31Å; P995-G998 VanDerWaalsContact O-N 3.07Å; P995-E999 PolarHBondContact O-N 3.23Å |
| 996 | V | 91.2 | Very high | 91.5 | Very high | 7 Ų | 7 | 61.1 Ų | 61.1 | 4% | 0.042 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -61.6 | -36.5 | 175.7 | 175.3 | 0 | 0 | 0 | 0 | 111.6 | R947 V950 V993 L994 | R947-V996 HydrophobicContact CB-CG1 4.15Å; R947-V996 HydrophobicContact CG-CB 4.42Å; R947-V996 HydrophobicContact CG-CG1 3.43Å; R947-V996 VanDerWaalsContact CG-CG1 3.43Å; R947-V996 HydrophobicContact CG-CG2 4.06Å; V950-V996 HydrophobicContact CB-CG1 4.48Å; V950-V996 HydrophobicContact CG2-CG1 4.24Å; V993-V996 WeakPolarHBondContact O-CB 3.39Å; V993-V996 PolarHBondContact O-N 2.93Å; L994-V996 VanDerWaalsContact C-N 3.27Å; L994-V996 PolarHBondContact O-N 3.46Å |
| 997 | I | 91.8 | Very high | 91.6 | Very high | 0 Ų | 0 | 62.7 Ų | 62.7 | 0% | 0 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -69.8 | -38.1 | 174.4 | -58.7 | 180 | 0 | 0 | 0 | 110.8 | V950 L958 C962 V993 L994 P995 E999 N1000 F1003 L1006 F1007 | V950-I997 HydrophobicContact CG2-CB 4.47Å; V950-I997 HydrophobicContact CG2-CG1 4.02Å; L958-I997 HydrophobicContact CD1-CD1 3.75Å; L958-I997 HydrophobicContact CD1-CG1 3.96Å; L958-I997 HydrophobicContact CD2-CD1 4.18Å; L958-I997 HydrophobicContact CD2-CG1 4.08Å; L958-I997 HydrophobicContact CD2-CG2 4.23Å; L958-I997 HydrophobicContact CG-CD1 3.84Å; L958-I997 HydrophobicContact CG-CG1 4.21Å; C962-I997 WeakPolarHBondContact SG-CD1 3.45Å; V993-I997 HydrophobicContact CG1-CD1 3.85Å; V993-I997 HydrophobicContact CG1-CG1 4.24Å; V993-I997 PolarHBondContact O-N 3.2Å; L994-I997 WeakPolarHBondContact O-CA 3.48Å; L994-I997 WeakPolarHBondContact O-CB 3.43Å; L994-I997 PolarHBondContact O-N 3.37Å; P995-I997 VanDerWaalsContact C-N 3.29Å; P995-I997 PolarHBondContact O-N 2.76Å; I997-E999 VanDerWaalsContact C-N 3.35Å; I997-E999 PolarHBondContact O-N 3.28Å; I997-N1000 PolarHBondContact O-N 3.23Å; I997-F1003 HydrophobicContact CG2-CB 3.55Å; I997-F1003 HydrophobicContact CG2-CG 4.41Å; I997-L1006 HydrophobicContact CG2-CD2 4.23Å; I997-L1006 HydrophobicContact CG2-CG 4.33Å; I997-F1007 HydrophobicContact CG2-CB 4.11Å |
| 998 | G | 88.7 | Confident | 91.6 | Very high | 31 Ų | 31 | 62.7 Ų | 62.7 | 32% | 0.32 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -68.5 | -25.9 | 178.3 | 0 | 0 | 0 | 0 | 0 | 114.8 | L994 P995 N1000 | L994-G998 PolarHBondContact O-N 2.99Å; P995-G998 WeakPolarHBondContact O-CA 3.34Å; P995-G998 PolarHBondContact O-N 3.31Å; P995-G998 VanDerWaalsContact O-N 3.07Å; G998-N1000 PolarHBondContact O-N 2.95Å |
| 999 | E | 88.2 | Confident | 91.7 | Very high | 139 Ų | 139 | 61.7 Ų | 61.7 | 65% | 0.65 | 29% | 0.291 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.2 | -25 | 174.4 | -75.4 | 170.3 | -160.5 | 0 | 0 | 112.8 | P995 I997 | P995-E999 PolarHBondContact O-N 3.23Å; I997-E999 VanDerWaalsContact C-N 3.35Å; I997-E999 PolarHBondContact O-N 3.28Å |
| 1000 | N | 88.6 | Confident | 91.7 | Very high | 47 Ų | 47 | 61.9 Ų | 61.9 | 25% | 0.251 | 29% | 0.291 | S | S | . | . | S | Bend | trans | -107.2 | 114 | 179.9 | -172 | -21.5 | 0 | 0 | 0 | 112 | V950 I997 G998 R1002 F1003 | V950-N1000 HydrophobicContact CG1-CB 3.48Å; V950-N1000 VanDerWaalsContact CG1-CB 3.48Å; V950-N1000 PolarHBondContact O-ND2 3.06Å; I997-N1000 PolarHBondContact O-N 3.23Å; G998-N1000 PolarHBondContact O-N 2.95Å; N1000-R1002 PolarHBondContact O-N 3.32Å; N1000-R1002 VanDerWaalsContact OD1-CB 3.29Å; N1000-R1002 WeakPolarHBondContact OD1-CB 3.46Å; N1000-R1002 PolarHBondContact OD1-N 2.94Å; N1000-F1003 HydrophobicContact CB-CD2 4.26Å; N1000-F1003 PolarHBondContact O-N 3.02Å |
| 1001 | L | 87.9 | Confident | 91.6 | Very high | 142 Ų | 142 | 65 Ų | 65 | 74% | 0.743 | 31% | 0.306 | S | S | * | . | G | 310 helix | trans | -50.5 | -31.7 | 178.2 | -63.7 | 175.8 | 0 | 0 | 0 | 114 | F1003 Q1004 | L1001-F1003 PolarHBondContact O-N 3.04Å; L1001-Q1004 PolarHBondContact O-N 3.39Å |
| 1002 | R | 90.3 | Very high | 91.5 | Very high | 158 Ų | 158 | 63.4 Ų | 63.4 | 60% | 0.596 | 31% | 0.307 | S | S | * | . | G | 310 helix | trans | -59.6 | -29.8 | 176.5 | -178.1 | 174.9 | 171.6 | -172.3 | -9.8 | 112.6 | G953 N1000 | G953-R1002 PolarHBondContact O-NH2 2.77Å; N1000-R1002 PolarHBondContact O-N 3.32Å; N1000-R1002 VanDerWaalsContact OD1-CB 3.29Å; N1000-R1002 WeakPolarHBondContact OD1-CB 3.46Å; N1000-R1002 PolarHBondContact OD1-N 2.94Å |
| 1003 | F | 93 | Very high | 91.4 | Very high | 2 Ų | 2 | 63.4 Ų | 63.4 | 1% | 0.009 | 31% | 0.307 | C | S | . | . | G | 310 helix | trans | -107.5 | 8.4 | -176 | -63.1 | -56.2 | 0 | 0 | 0 | 114.4 | V950 E955 L958 I997 N1000 L1001 R1005 L1006 F1007 | V950-F1003 HydrophobicContact CG1-CD2 4.31Å; V950-F1003 HydrophobicContact CG2-CD2 4.38Å; E955-F1003 HydrophobicContact CB-CE1 3.73Å; E955-F1003 HydrophobicContact CB-CZ 4.38Å; E955-F1003 HydrophobicContact CG-CD1 4.38Å; E955-F1003 HydrophobicContact CG-CE1 3.83Å; L958-F1003 HydrophobicContact CD2-CD1 4.25Å; L958-F1003 HydrophobicContact CD2-CD2 3.96Å; L958-F1003 HydrophobicContact CD2-CE1 4.37Å; L958-F1003 HydrophobicContact CD2-CE2 4.07Å; L958-F1003 HydrophobicContact CD2-CG 4.05Å; L958-F1003 HydrophobicContact CD2-CZ 4.26Å; I997-F1003 HydrophobicContact CG2-CB 3.55Å; I997-F1003 HydrophobicContact CG2-CG 4.41Å; N1000-F1003 HydrophobicContact CB-CD2 4.26Å; N1000-F1003 PolarHBondContact O-N 3.02Å; L1001-F1003 PolarHBondContact O-N 3.04Å; F1003-R1005 PolarHBondContact O-N 3.42Å; F1003-R1005 VanDerWaalsContact O-N 3.12Å; F1003-L1006 HydrophobicContact CB-CB 4.37Å; F1003-L1006 HydrophobicContact CD1-CD2 4.15Å; F1003-L1006 WeakPolarHBondContact O-CA 3.22Å; F1003-L1006 WeakPolarHBondContact O-CB 3.32Å; F1003-L1006 PolarHBondContact O-N 2.88Å; F1003-F1007 PolarHBondContact O-N 3.13Å |
| 1004 | Q | 90.4 | Very high | 91.2 | Very high | 118 Ų | 118 | 64.2 Ų | 64.2 | 55% | 0.551 | 31% | 0.311 | S | S | * | . | H | α-helix | trans | -53 | -38.5 | 178.8 | -166.7 | 176.9 | 23 | 0 | 0 | 112.9 | L1001 F1007 T1008 | L1001-Q1004 PolarHBondContact O-N 3.39Å; Q1004-F1007 WeakPolarHBondContact O-CB 3.45Å; Q1004-F1007 PolarHBondContact O-N 3Å; Q1004-T1008 PolarHBondContact O-N 3.18Å; Q1004-T1008 PolarHBondContact O-OG1 3.01Å |
| 1005 | R | 90.4 | Very high | 90.9 | Very high | 211 Ų | 211 | 68.5 Ų | 68.5 | 80% | 0.796 | 33% | 0.331 | S | S | * | . | H | α-helix | trans | -66.2 | -37.1 | 174.6 | -175.4 | 176.8 | -179.7 | 173.9 | 2.5 | 113.3 | F1003 E1009 | F1003-R1005 PolarHBondContact O-N 3.42Å; F1003-R1005 VanDerWaalsContact O-N 3.12Å; R1005-E1009 VanDerWaalsContact O-CB 3.31Å; R1005-E1009 WeakPolarHBondContact O-CB 3.29Å; R1005-E1009 PolarHBondContact O-N 3.39Å |
| 1006 | L | 91.4 | Very high | 90.6 | Very high | 2 Ų | 2 | 68.9 Ų | 68.9 | 1% | 0.01 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -70.7 | -41 | 176.9 | 175.7 | 64.1 | 0 | 0 | 0 | 110.8 | L958 R959 I997 F1003 E1009 Y1010 | L958-L1006 HydrophobicContact CB-CD2 4.24Å; L958-L1006 HydrophobicContact CD2-CD2 3.75Å; L958-L1006 HydrophobicContact CG-CD2 3.84Å; R959-L1006 HydrophobicContact CG-CD1 3.54Å; R959-L1006 HydrophobicContact CG-CD2 4.21Å; I997-L1006 HydrophobicContact CG2-CD2 4.23Å; I997-L1006 HydrophobicContact CG2-CG 4.33Å; F1003-L1006 HydrophobicContact CB-CB 4.37Å; F1003-L1006 HydrophobicContact CD1-CD2 4.15Å; F1003-L1006 WeakPolarHBondContact O-CA 3.22Å; F1003-L1006 WeakPolarHBondContact O-CB 3.32Å; F1003-L1006 PolarHBondContact O-N 2.88Å; L1006-E1009 PolarHBondContact O-N 2.87Å; L1006-Y1010 HydrophobicContact CD1-CD2 3.59Å; L1006-Y1010 HydrophobicContact CD1-CE2 3.46Å; L1006-Y1010 VanDerWaalsContact CD1-CE2 3.46Å; L1006-Y1010 HydrophobicContact CG-CD2 4.46Å; L1006-Y1010 WeakPolarHBondContact O-CD2 3.5Å; L1006-Y1010 PolarHBondContact O-N 3.25Å |
| 1007 | F | 94.3 | Very high | 90 | Very high | 50 Ų | 50 | 69.9 Ų | 69.9 | 22% | 0.219 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -55.6 | -54.6 | 173.5 | 169.2 | -103 | 0 | 0 | 0 | 111.3 | L994 I997 F1003 Q1004 E1009 Y1010 Q1011 | L994-F1007 HydrophobicContact CB-CD2 4.08Å; L994-F1007 HydrophobicContact CB-CE2 4.04Å; L994-F1007 HydrophobicContact CD2-CD2 4.08Å; L994-F1007 WeakPolarHBondContact O-CD2 3.34Å; L994-F1007 WeakPolarHBondContact O-CE2 3.41Å; I997-F1007 HydrophobicContact CG2-CB 4.11Å; F1003-F1007 PolarHBondContact O-N 3.13Å; Q1004-F1007 WeakPolarHBondContact O-CB 3.45Å; Q1004-F1007 PolarHBondContact O-N 3Å; F1007-E1009 PolarHBondContact O-N 3.2Å; F1007-Y1010 PolarHBondContact O-N 2.85Å; F1007-Q1011 WeakPolarHBondContact O-CB 3.49Å; F1007-Q1011 PolarHBondContact O-N 3.19Å |
| 1008 | T | 92.8 | Very high | 89.1 | Confident | 59 Ų | 59 | 79.9 Ų | 79.9 | 36% | 0.362 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -59.4 | -46 | 176.3 | -54.9 | 0 | 0 | 0 | 0 | 112.1 | Q1004 Y1010 Q1011 D1012 | Q1004-T1008 PolarHBondContact O-N 3.18Å; Q1004-T1008 PolarHBondContact O-OG1 3.01Å; T1008-Y1010 VanDerWaalsContact C-N 3.26Å; T1008-Y1010 PolarHBondContact O-N 3.4Å; T1008-Y1010 VanDerWaalsContact O-N 3.17Å; T1008-Q1011 PolarHBondContact O-N 3.4Å; T1008-D1012 WeakPolarHBondContact O-CB 3.47Å; T1008-D1012 PolarHBondContact O-N 3.36Å |
| 1009 | E | 93.2 | Very high | 87.6 | Confident | 62 Ų | 62 | 83.7 Ų | 83.7 | 29% | 0.29 | 39% | 0.389 | S | S | . | . | H | α-helix | trans | -52.8 | -40 | 179.8 | -179.4 | -173.1 | 142.7 | 0 | 0 | 113.1 | R959 R1005 L1006 F1007 Q1013 | R959-E1009 IonicContact CZ-OE2 3.01Å; R959-E1009 IonicContact NH1-OE1 3.1Å; R959-E1009 PolarHBondContact NH1-OE1 3.15Å; R959-E1009 IonicContact NH1-OE2 4Å; R959-E1009 PolarHBondContact NH1-OE2 3.4Å; R959-E1009 IonicContact NH2-OE2 3.11Å; R1005-E1009 VanDerWaalsContact O-CB 3.31Å; R1005-E1009 WeakPolarHBondContact O-CB 3.29Å; R1005-E1009 PolarHBondContact O-N 3.39Å; L1006-E1009 PolarHBondContact O-N 2.87Å; F1007-E1009 PolarHBondContact O-N 3.2Å; E1009-Q1013 WeakPolarHBondContact O-CG 3.45Å; E1009-Q1013 PolarHBondContact O-NE2 2.95Å |
| 1010 | Y | 92.9 | Very high | 85.9 | Confident | 8 Ų | 8 | 85.4 Ų | 85.4 | 3% | 0.031 | 39% | 0.394 | C | S | . | . | H | α-helix | trans | -94.2 | -24.8 | -179.5 | -74.6 | -97.2 | 0 | 0 | 0 | 113.5 | C962 K963 L966 L1006 F1007 T1008 L1014 | C962-Y1010 HydrophobicContact CB-CD1 3.51Å; C962-Y1010 HydrophobicContact CB-CD2 4.15Å; C962-Y1010 HydrophobicContact CB-CE1 3.65Å; C962-Y1010 HydrophobicContact CB-CE2 4.29Å; C962-Y1010 HydrophobicContact CB-CG 3.81Å; K963-Y1010 WeakPolarHBondContact CE-OH 3.24Å; K963-Y1010 HydrophobicContact CG-CE1 4.08Å; K963-Y1010 WeakPolarHBondContact CG-OH 3.43Å; L966-Y1010 HydrophobicContact CB-CD1 4.34Å; L966-Y1010 HydrophobicContact CD2-CD1 3.81Å; L966-Y1010 HydrophobicContact CD2-CE1 4.03Å; L1006-Y1010 HydrophobicContact CD1-CD2 3.59Å; L1006-Y1010 HydrophobicContact CD1-CE2 3.46Å; L1006-Y1010 VanDerWaalsContact CD1-CE2 3.46Å; L1006-Y1010 HydrophobicContact CG-CD2 4.46Å; L1006-Y1010 WeakPolarHBondContact O-CD2 3.5Å; L1006-Y1010 PolarHBondContact O-N 3.25Å; F1007-Y1010 PolarHBondContact O-N 2.85Å; T1008-Y1010 VanDerWaalsContact C-N 3.26Å; T1008-Y1010 PolarHBondContact O-N 3.4Å; T1008-Y1010 VanDerWaalsContact O-N 3.17Å; Y1010-L1014 WeakPolarHBondContact O-CB 3.29Å; Y1010-L1014 PolarHBondContact O-N 3.05Å; Y1010-L1014 VanDerWaalsContact O-N 3.09Å |
| 1011 | Q | 92.9 | Very high | 85.7 | Confident | 65 Ų | 65 | 87.3 Ų | 87.3 | 30% | 0.304 | 40% | 0.401 | S | S | . | . | H | α-helix | trans | -64.1 | -51.5 | 169.7 | -178.2 | 176.2 | -6.8 | 0 | 0 | 110.8 | F1007 T1008 Q1013 L1014 E1015 | F1007-Q1011 WeakPolarHBondContact O-CB 3.49Å; F1007-Q1011 PolarHBondContact O-N 3.19Å; T1008-Q1011 PolarHBondContact O-N 3.4Å; Q1011-Q1013 VanDerWaalsContact C-N 3.29Å; Q1011-Q1013 PolarHBondContact O-N 2.9Å; Q1011-L1014 WeakPolarHBondContact O-CB 3.32Å; Q1011-L1014 PolarHBondContact O-N 3.1Å; Q1011-E1015 HydrophobicContact CG-CG 4.41Å; Q1011-E1015 WeakPolarHBondContact CG-OE1 3.25Å; Q1011-E1015 PolarHBondContact NE2-OE1 3.14Å; Q1011-E1015 PolarHBondContact O-N 3.27Å |
| 1012 | D | 91.2 | Very high | 85.6 | Confident | 97 Ų | 97 | 84.4 Ų | 84.4 | 52% | 0.519 | 38% | 0.383 | S | S | . | . | H | α-helix | trans | -56.5 | -43.6 | -179.1 | -66.7 | -7.4 | 0 | 0 | 0 | 111.4 | T1008 E1015 L1016 | T1008-D1012 WeakPolarHBondContact O-CB 3.47Å; T1008-D1012 PolarHBondContact O-N 3.36Å; D1012-E1015 PolarHBondContact O-N 2.87Å; D1012-L1016 VanDerWaalsContact O-CB 3.3Å; D1012-L1016 WeakPolarHBondContact O-CB 3.43Å; D1012-L1016 PolarHBondContact O-N 3.05Å |
| 1013 | Q | 90 | Very high | 85.4 | Confident | 58 Ų | 58 | 80.3 Ų | 80.3 | 27% | 0.271 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -67.8 | -33.4 | 177.3 | -71.9 | 177.9 | 76.3 | 0 | 0 | 112.9 | L966 V969 E1009 Q1011 L1017 | L966-Q1013 HydrophobicContact CD1-CB 4.43Å; L966-Q1013 HydrophobicContact CD2-CB 3.84Å; V969-Q1013 HydrophobicContact CG2-CB 4.46Å; E1009-Q1013 WeakPolarHBondContact O-CG 3.45Å; E1009-Q1013 PolarHBondContact O-NE2 2.95Å; Q1011-Q1013 VanDerWaalsContact C-N 3.29Å; Q1011-Q1013 PolarHBondContact O-N 2.9Å; Q1013-L1017 WeakPolarHBondContact O-CB 3.46Å; Q1013-L1017 WeakPolarHBondContact O-CD1 3.25Å; Q1013-L1017 WeakPolarHBondContact O-CG 3.28Å; Q1013-L1017 PolarHBondContact O-N 2.98Å |
| 1014 | L | 89.4 | Confident | 84.9 | Confident | 16 Ų | 16 | 84.9 Ų | 84.9 | 8% | 0.084 | 39% | 0.393 | C | S | . | . | H | α-helix | trans | -75.7 | -31.8 | 178.3 | -173.6 | 58.3 | 0 | 0 | 0 | 112.2 | L966 R987 L990 R991 L994 Y1010 Q1011 L1017 R1018 | L966-L1014 HydrophobicContact CD1-CB 4.2Å; L966-L1014 HydrophobicContact CD1-CD1 4.14Å; R987-L1014 HydrophobicContact CB-CD1 4.01Å; R987-L1014 HydrophobicContact CG-CD1 4.12Å; L990-L1014 HydrophobicContact CB-CD2 4.35Å; L990-L1014 HydrophobicContact CD2-CD1 4.45Å; L990-L1014 HydrophobicContact CD2-CD2 4.09Å; L990-L1014 HydrophobicContact CG-CD2 4.09Å; R991-L1014 HydrophobicContact CG-CD2 3.69Å; L994-L1014 HydrophobicContact CD1-CD2 3.79Å; Y1010-L1014 WeakPolarHBondContact O-CB 3.29Å; Y1010-L1014 PolarHBondContact O-N 3.05Å; Y1010-L1014 VanDerWaalsContact O-N 3.09Å; Q1011-L1014 WeakPolarHBondContact O-CB 3.32Å; Q1011-L1014 PolarHBondContact O-N 3.1Å; L1014-L1017 PolarHBondContact O-N 2.85Å; L1014-R1018 PolarHBondContact O-N 3.13Å |
| 1015 | E | 87.8 | Confident | 84.6 | Confident | 98 Ų | 98 | 82.9 Ų | 82.9 | 46% | 0.458 | 38% | 0.383 | S | S | . | . | H | α-helix | trans | -76.5 | -36.4 | 172.9 | -68.9 | -173.6 | -160.1 | 0 | 0 | 112.3 | Q1011 D1012 L1017 R1018 T1019 | Q1011-E1015 HydrophobicContact CG-CG 4.41Å; Q1011-E1015 WeakPolarHBondContact CG-OE1 3.25Å; Q1011-E1015 PolarHBondContact NE2-OE1 3.14Å; Q1011-E1015 PolarHBondContact O-N 3.27Å; D1012-E1015 PolarHBondContact O-N 2.87Å; E1015-L1017 PolarHBondContact O-N 3.15Å; E1015-R1018 WeakPolarHBondContact O-CB 3.47Å; E1015-R1018 PolarHBondContact O-N 2.62Å; E1015-T1019 PolarHBondContact O-N 3.25Å; E1015-T1019 PolarHBondContact O-OG1 2.61Å; E1015-T1019 VanDerWaalsContact O-OG1 3.05Å |
| 1016 | L | 85.3 | Confident | 84.2 | Confident | 76 Ų | 76 | 74.3 Ų | 74.3 | 40% | 0.398 | 36% | 0.355 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61.1 | -21.3 | 168.2 | -177.1 | 61.5 | 0 | 0 | 0 | 113 | V969 D1012 T1019 | V969-L1016 HydrophobicContact CG1-CD2 4.2Å; D1012-L1016 VanDerWaalsContact O-CB 3.3Å; D1012-L1016 WeakPolarHBondContact O-CB 3.43Å; D1012-L1016 PolarHBondContact O-N 3.05Å; L1016-T1019 PolarHBondContact O-OG1 3.14Å |
| 1017 | L | 79.7 | Confident | 83.7 | Confident | 29 Ų | 29 | 79.5 Ų | 79.5 | 15% | 0.152 | 38% | 0.38 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -94.9 | -0.9 | 173.6 | -78.9 | 168.7 | 0 | 0 | 0 | 114.2 | L966 V969 Q1013 L1014 E1015 | L966-L1017 HydrophobicContact CD1-CD1 3.78Å; L966-L1017 HydrophobicContact CG-CD1 4.35Å; V969-L1017 HydrophobicContact CB-CD1 4.49Å; V969-L1017 HydrophobicContact CG1-CD1 4.37Å; V969-L1017 HydrophobicContact CG1-CD2 4.43Å; V969-L1017 HydrophobicContact CG1-CG 4.17Å; V969-L1017 HydrophobicContact CG2-CD1 4.29Å; Q1013-L1017 WeakPolarHBondContact O-CB 3.46Å; Q1013-L1017 WeakPolarHBondContact O-CD1 3.25Å; Q1013-L1017 WeakPolarHBondContact O-CG 3.28Å; Q1013-L1017 PolarHBondContact O-N 2.98Å; L1014-L1017 PolarHBondContact O-N 2.85Å; E1015-L1017 PolarHBondContact O-N 3.15Å |
| 1018 | R | 71.7 | Confident | 82.9 | Confident | 209 Ų | 209 | 81.8 Ų | 81.8 | 79% | 0.789 | 39% | 0.392 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -101.2 | -18.6 | 172.2 | -171.7 | -179.6 | 179.9 | -172.6 | 0.5 | 112.3 | L1014 E1015 | L1014-R1018 PolarHBondContact O-N 3.13Å; E1015-R1018 WeakPolarHBondContact O-CB 3.47Å; E1015-R1018 PolarHBondContact O-N 2.62Å |
| 1019 | T | 57.4 | Low | 82 | Confident | 111 Ų | 111 | 83.7 Ų | 83.7 | 68% | 0.681 | 40% | 0.395 | S | S | * | . | trans | -95 | 13.8 | 178.6 | 45.2 | 0 | 0 | 0 | 0 | 113.2 | E1015 L1016 | E1015-T1019 PolarHBondContact O-N 3.25Å; E1015-T1019 PolarHBondContact O-OG1 2.61Å; E1015-T1019 VanDerWaalsContact O-OG1 3.05Å; L1016-T1019 PolarHBondContact O-OG1 3.14Å | ||
| 1020 | K | 52.8 | Low | 81 | Confident | 175 Ų | 175 | 85.6 Ų | 85.6 | 76% | 0.761 | 40% | 0.404 | S | S | * | . | trans | -142.3 | 0 | -177.6 | -70.1 | -179.1 | -179.8 | 172.5 | 0 | 111.8 |
Retrieved 1,020 of 1,020 residues in 717.7 ms
(Link to these results)