| 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 | 46.1 | Very low | 86.5 | Confident | 246 Ų | 246 | 87.3 Ų | 87.3 | 100% | 1.212 | 47% | 0.465 | S | S | * | . | 0 | 146.7 | 0 | -60 | -178.1 | -165.3 | 0 | 0 | 107.5 | |||||
| 2 | G | 63.2 | Low | 87.5 | Confident | 68 Ų | 68 | 86.3 Ų | 86.3 | 70% | 0.701 | 46% | 0.456 | S | S | * | . | P | Polyproline II helix | trans | -73.2 | 161 | 179.4 | 0 | 0 | 0 | 0 | 0 | 112.8 | Q4 | G2-Q4 PolarHBondContact O-N 3.47Š|
| 3 | E | 76.4 | Confident | 88.3 | Confident | 82 Ų | 82 | 79.7 Ų | 79.7 | 38% | 0.383 | 42% | 0.421 | S | S | . | . | P | Polyproline II helix | trans | -56.5 | 130.5 | 168.6 | -65.5 | 177.5 | 168.5 | 0 | 0 | 109.4 | F37 D39 | E3-F37 HydrophobicContact CB-CD1 4.03Å; E3-F37 WeakPolarHBondContact O-CE1 3.46Å; E3-D39 WeakPolarHBondContact OE1-CA 3.47Å |
| 4 | Q | 85.8 | Confident | 89 | Confident | 167 Ų | 167 | 77.7 Ų | 77.7 | 78% | 0.78 | 41% | 0.407 | S | S | * | . | P | Polyproline II helix | trans | -88.2 | 143.1 | 174.9 | -68.2 | -171.9 | 2 | 0 | 0 | 110.4 | G2 | G2-Q4 PolarHBondContact O-N 3.47Š|
| 5 | P | 93.3 | Very high | 89.5 | Confident | 62 Ų | 62 | 75.7 Ų | 75.7 | 40% | 0.403 | 39% | 0.394 | S | S | . | . | P | Polyproline II helix | trans | -72.8 | 134.3 | 176.3 | 29.5 | -33.4 | 0 | 0 | 0 | 111 | S8 Y36 F37 | P5-S8 WeakPolarHBondContact CB-OG 3.5Å; P5-Y36 CarbonylContact C-O 3.58Å; P5-Y36 WeakPolarHBondContact CA-O 3.49Å; P5-F37 HydrophobicContact CB-CD1 4.29Å; P5-F37 HydrophobicContact CB-CE1 3.79Å; P5-F37 HydrophobicContact CB-CE2 4.24Å; P5-F37 HydrophobicContact CB-CZ 3.77Å; P5-F37 HydrophobicContact CG-CE1 4.32Å; P5-F37 HydrophobicContact CG-CZ 4.37Å |
| 6 | I | 95.7 | Very high | 89.8 | Confident | 85 Ų | 85 | 72.6 Ų | 72.6 | 44% | 0.436 | 38% | 0.378 | S | S | . | . | S | Bend | trans | -75.1 | -36.5 | 176.7 | -38.4 | 171.3 | 0 | 0 | 0 | 110.8 | Y36 F38 Y45 F106 | I6-Y36 PolarHBondContact N-O 3.11Å; I6-F38 HydrophobicContact CD1-CB 3.76Å; I6-F38 HydrophobicContact CG1-CB 4.46Å; I6-Y45 HydrophobicContact CD1-CD1 3.78Å; I6-Y45 HydrophobicContact CD1-CE1 3.69Å; I6-F106 HydrophobicContact CB-CE1 4.32Å; I6-F106 HydrophobicContact CB-CZ 3.92Å; I6-F106 HydrophobicContact CD1-CD1 4.32Å; I6-F106 HydrophobicContact CD1-CE1 3.72Å; I6-F106 HydrophobicContact CD1-CZ 4.06Å; I6-F106 HydrophobicContact CG2-CE1 3.93Å; I6-F106 HydrophobicContact CG2-CZ 3.72Å |
| 7 | F | 97.8 | Very high | 89.8 | Confident | 41 Ų | 41 | 70.3 Ų | 70.3 | 18% | 0.18 | 37% | 0.366 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.7 | 143.4 | 176.9 | 176.8 | -91.9 | 0 | 0 | 0 | 108.7 | T9 S35 Y36 K98 F99 K102 F106 | F7-T9 HydrophobicContact CE1-CG2 3.88Å; F7-S35 CarbonylContact O-C 3.59Å; F7-S35 WeakPolarHBondContact O-CA 3.29Å; F7-S35 WeakPolarHBondContact O-CB 3.35Å; F7-Y36 HydrophobicContact CB-CD2 4.13Å; F7-Y36 AromaticContact CD1-CD2 3.77Å; F7-Y36 HydrophobicContact CD1-CD2 3.77Å; F7-Y36 HydrophobicContact CD1-CE2 4.05Å; F7-Y36 HydrophobicContact CG-CD2 4.36Å; F7-Y36 PolarHBondContact O-N 3.49Å; F7-K98 HydrophobicContact CE2-CG 4.08Å; F7-K98 HydrophobicContact CZ-CG 4.11Å; F7-F99 HydrophobicContact CE1-CD2 4.38Å; F7-K102 HydrophobicContact CB-CG 4.48Å; F7-K102 HydrophobicContact CD1-CG 4.32Å; F7-K102 HydrophobicContact CD2-CG 3.91Å; F7-K102 HydrophobicContact CE2-CG 4.16Å; F7-K102 HydrophobicContact CG-CG 3.98Å; F7-K102 HydrophobicContact CZ-CG 4.45Å; F7-F106 HydrophobicContact CB-CE2 4.3Å |
| 8 | S | 98 | Very high | 89.6 | Confident | 59 Ų | 59 | 71.9 Ų | 71.9 | 41% | 0.413 | 38% | 0.382 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.7 | 141.3 | 176.8 | -61.4 | 0 | 0 | 0 | 0 | 110.6 | P5 S35 | P5-S8 WeakPolarHBondContact CB-OG 3.5Å; S8-S35 VanDerWaalsContact CB-OG 3.3Å; S8-S35 WeakPolarHBondContact CB-OG 3.35Å; S8-S35 PolarHBondContact OG-OG 3.5Å |
| 9 | T | 98.2 | Very high | 89.4 | Confident | 16 Ų | 16 | 73.4 Ų | 73.4 | 10% | 0.098 | 40% | 0.399 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.4 | 176.4 | 173.8 | -171 | 0 | 0 | 0 | 0 | 110.9 | F7 T33 V34 F90 F99 | F7-T9 HydrophobicContact CE1-CG2 3.88Å; T9-T33 CarbonylContact O-C 3.49Å; T9-T33 WeakPolarHBondContact O-CA 3.45Å; T9-V34 PolarHBondContact N-O 3.29Å; T9-V34 PolarHBondContact O-N 2.82Å; T9-F90 HydrophobicContact CG2-CE1 3.89Å; T9-F99 HydrophobicContact CG2-CD2 3.72Å; T9-F99 HydrophobicContact CG2-CE2 4.35Å |
| 10 | R | 98.3 | Very high | 89.3 | Confident | 133 Ų | 133 | 72.9 Ų | 72.9 | 50% | 0.502 | 40% | 0.398 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.6 | 124.7 | -177.6 | -66.3 | -76.4 | -72.9 | -179.9 | 0.4 | 110.6 | A31 V32 T33 | R10-A31 PolarHBondContact NH1-O 3.28Å; R10-A31 PolarHBondContact NH2-O 2.6Å; R10-V32 WeakPolarHBondContact CA-O 3.31Å; R10-T33 WeakPolarHBondContact CD-OG1 3.32Å; R10-T33 PolarHBondContact NH1-OG1 3.32Å |
| 11 | A | 98.4 | Very high | 89.2 | Confident | 1 Ų | 1 | 74.3 Ų | 74.3 | 1% | 0.008 | 40% | 0.4 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -150.6 | 155.9 | -179.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | A31 V32 V34 L88 G89 F90 | A11-A31 CarbonylContact O-C 3.6Å; A11-A31 WeakPolarHBondContact O-CA 3.23Å; A11-V32 PolarHBondContact N-O 2.93Å; A11-V32 WeakPolarHBondContact O-CG2 3.39Å; A11-V32 PolarHBondContact O-N 3.08Å; A11-V34 HydrophobicContact CB-CG2 4.29Å; A11-L88 HydrophobicContact CB-CB 4.12Å; A11-L88 HydrophobicContact CB-CD2 4.09Å; A11-G89 CarbonylContact C-O 3.6Å; A11-G89 WeakPolarHBondContact CA-O 3.35Å; A11-F90 HydrophobicContact CB-CD1 3.89Å; A11-F90 HydrophobicContact CB-CE1 3.87Å; A11-F90 HydrophobicContact CB-CG 4.41Å; A11-F90 HydrophobicContact CB-CZ 4.38Å |
| 12 | H | 98.6 | Very high | 91.2 | Very high | 76 Ų | 76 | 71.1 Ų | 71.1 | 35% | 0.352 | 38% | 0.38 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.8 | 132.2 | 164 | -67.2 | 88 | 0 | 0 | 0 | 108.9 | F14 A31 L88 G89 | H12-F14 HydrophobicContact CB-CE2 3.65Å; H12-F14 HydrophobicContact CB-CZ 4.15Å; H12-A31 PolarHBondContact CD2-N 2.94Å; H12-A31 VanDerWaalsContact CD2-N 3.33Å; H12-A31 PolarHBondContact NE2-N 3.28Å; H12-A31 VanDerWaalsContact NE2-N 3.13Å; H12-L88 WeakPolarHBondContact O-CA 3.39Å; H12-G89 PolarHBondContact N-O 3.45Å; H12-G89 PolarHBondContact O-N 2.95Å |
| 13 | V | 98.4 | Very high | 92.6 | Very high | 0 Ų | 0 | 72.4 Ų | 72.4 | 0% | 0 | 37% | 0.371 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99 | 133.8 | -176.7 | -179.6 | 0 | 0 | 0 | 0 | 110.4 | T27 S28 V32 V34 I56 I57 L88 | V13-T27 HydrophobicContact CG1-CG2 4.43Å; V13-T27 PolarHBondContact O-N 3.43Å; V13-S28 PolarHBondContact N-OG 3.02Å; V13-S28 VanDerWaalsContact N-OG 3.11Å; V13-S28 PolarHBondContact O-N 3.35Å; V13-V32 HydrophobicContact CB-CG2 4.45Å; V13-V32 HydrophobicContact CG2-CG2 3.42Å; V13-V32 VanDerWaalsContact CG2-CG2 3.42Å; V13-V34 HydrophobicContact CG2-CG2 4.14Å; V13-I56 HydrophobicContact CB-CD1 4.12Å; V13-I56 HydrophobicContact CG1-CD1 4.44Å; V13-I56 HydrophobicContact CG2-CD1 4.02Å; V13-I57 HydrophobicContact CB-CD1 4.41Å; V13-I57 HydrophobicContact CG1-CD1 3.7Å; V13-I57 HydrophobicContact CG1-CG1 3.74Å; V13-I57 HydrophobicContact CG2-CD1 3.74Å; V13-I57 HydrophobicContact CG2-CG1 4.37Å; V13-L88 HydrophobicContact CB-CD2 4.39Å; V13-L88 HydrophobicContact CG2-CD2 3.75Å |
| 14 | F | 98.1 | Very high | 93.5 | Very high | 52 Ų | 52 | 72.6 Ų | 72.6 | 23% | 0.228 | 37% | 0.368 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.7 | 155.5 | 175.4 | -57.9 | -98 | 0 | 0 | 0 | 109.9 | H12 W24 V25 P26 F74 G87 | H12-F14 HydrophobicContact CB-CE2 3.65Å; H12-F14 HydrophobicContact CB-CZ 4.15Å; F14-W24 HydrophobicContact CB-CD2 4.42Å; F14-W24 HydrophobicContact CB-CE3 3.65Å; F14-W24 HydrophobicContact CB-CZ3 4.19Å; F14-V25 WeakPolarHBondContact CA-O 3.31Å; F14-P26 HydrophobicContact CD1-CB 4.08Å; F14-P26 HydrophobicContact CE1-CB 3.98Å; F14-F74 HydrophobicContact CB-CE2 4.48Å; F14-F74 HydrophobicContact CB-CZ 4.48Å; F14-F74 AromaticContact CD2-CE2 3.64Å; F14-F74 HydrophobicContact CD2-CE2 3.64Å; F14-F74 HydrophobicContact CD2-CZ 4.42Å; F14-F74 HydrophobicContact CE2-CE2 4.08Å; F14-F74 HydrophobicContact CG-CE2 4.16Å; F14-G87 PolarHBondContact N-O 3.03Å; F14-G87 PolarHBondContact O-N 3.37Å |
| 15 | Q | 96.9 | Very high | 94 | Very high | 47 Ų | 47 | 67.9 Ų | 67.9 | 22% | 0.22 | 35% | 0.351 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.9 | 150.2 | 168 | -76.5 | 179.6 | 68.5 | 0 | 0 | 109.9 | D17 V25 T27 T84 V85 Y86 | Q15-D17 PolarHBondContact O-N 3.24Å; Q15-V25 PolarHBondContact N-O 2.99Å; Q15-V25 PolarHBondContact O-N 3.03Å; Q15-T27 PolarHBondContact N-OG1 3.4Å; Q15-T27 PolarHBondContact NE2-OG1 3.16Å; Q15-T84 PolarHBondContact OE1-OG1 3.05Å; Q15-V85 VanDerWaalsContact CA-O 3.29Å; Q15-V85 WeakPolarHBondContact CA-O 3.5Å; Q15-Y86 HydrophobicContact CG-CD1 3.59Å; Q15-Y86 HydrophobicContact CG-CE1 3.86Å |
| 16 | I | 93.9 | Very high | 94.2 | Very high | 27 Ų | 27 | 69 Ų | 69 | 14% | 0.138 | 36% | 0.358 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.8 | 129.8 | 167.8 | -70.2 | -173.4 | 0 | 0 | 0 | 108.9 | P18 K21 N23 W24 V85 | I16-P18 WeakPolarHBondContact O-CD 3.48Å; I16-K21 VanDerWaalsContact CG2-C 3.42Å; I16-N23 WeakPolarHBondContact CA-O 3.49Å; I16-W24 HydrophobicContact CD1-CH2 4.34Å; I16-W24 HydrophobicContact CD1-CZ2 4.25Å; I16-W24 HydrophobicContact CG1-CD2 4.12Å; I16-W24 HydrophobicContact CG1-CE3 3.92Å; I16-W24 HydrophobicContact CG1-CH2 3.88Å; I16-W24 HydrophobicContact CG1-CZ2 4.04Å; I16-W24 HydrophobicContact CG1-CZ3 3.8Å; I16-V85 HydrophobicContact CB-CB 4.14Å; I16-V85 HydrophobicContact CD1-CB 3.75Å; I16-V85 HydrophobicContact CD1-CG1 3.94Å; I16-V85 HydrophobicContact CD1-CG2 4.05Å; I16-V85 HydrophobicContact CG1-CB 3.9Å; I16-V85 HydrophobicContact CG1-CG1 4.31Å; I16-V85 PolarHBondContact N-O 3.33Å |
| 17 | D | 89.8 | Confident | 94.2 | Very high | 33 Ų | 33 | 66.9 Ų | 66.9 | 18% | 0.176 | 35% | 0.349 | C | S | . | . | trans | -50.4 | 120.2 | 173.1 | 170.4 | 11.1 | 0 | 0 | 0 | 111.1 | Q15 S19 T20 K21 N23 V25 | Q15-D17 PolarHBondContact O-N 3.24Å; D17-S19 VanDerWaalsContact CG-OG 3.22Å; D17-S19 PolarHBondContact O-N 3.14Å; D17-S19 VanDerWaalsContact O-N 3.16Å; D17-S19 WeakPolarHBondContact OD1-CB 3.28Å; D17-S19 PolarHBondContact OD1-N 2.89Å; D17-S19 PolarHBondContact OD1-OG 3.2Å; D17-S19 PolarHBondContact OD2-OG 2.87Å; D17-T20 WeakPolarHBondContact CB-OG1 3.38Å; D17-T20 VanDerWaalsContact CG-OG1 3.31Å; D17-T20 VanDerWaalsContact OD2-CB 3.27Å; D17-T20 WeakPolarHBondContact OD2-CB 3.46Å; D17-T20 WeakPolarHBondContact OD2-CG2 3.43Å; D17-T20 PolarHBondContact OD2-N 2.91Å; D17-T20 PolarHBondContact OD2-OG1 2.92Å; D17-K21 WeakPolarHBondContact O-CA 3.44Å; D17-K21 PolarHBondContact O-N 3.43Å; D17-N23 HydrophobicContact CB-CB 4.45Å; D17-N23 PolarHBondContact N-O 3.12Å; D17-V25 HydrophobicContact CB-CG2 3.79Å | ||
| 18 | P | 86.6 | Confident | 94.1 | Very high | 99 Ų | 99 | 65.2 Ų | 65.2 | 64% | 0.643 | 34% | 0.342 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.5 | -27.1 | 179.1 | -25.5 | 34.9 | 0 | 0 | 0 | 114.2 | I16 K21 | I16-P18 WeakPolarHBondContact O-CD 3.48Å; P18-K21 VanDerWaalsContact O-CE 3.3Å; P18-K21 WeakPolarHBondContact O-CE 3.4Å |
| 19 | S | 85.9 | Confident | 93.9 | Very high | 101 Ų | 101 | 71.2 Ų | 71.2 | 71% | 0.706 | 36% | 0.361 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85.2 | -50.1 | -176.1 | 70.7 | 0 | 0 | 0 | 0 | 112.8 | D17 | D17-S19 VanDerWaalsContact CG-OG 3.22Å; D17-S19 PolarHBondContact O-N 3.14Å; D17-S19 VanDerWaalsContact O-N 3.16Å; D17-S19 WeakPolarHBondContact OD1-CB 3.28Å; D17-S19 PolarHBondContact OD1-N 2.89Å; D17-S19 PolarHBondContact OD1-OG 3.2Å; D17-S19 PolarHBondContact OD2-OG 2.87Å |
| 20 | T | 87.2 | Confident | 93.8 | Very high | 62 Ų | 62 | 77.1 Ų | 77.1 | 38% | 0.38 | 39% | 0.387 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -86.9 | -19.7 | -179.6 | 62.2 | 0 | 0 | 0 | 0 | 114.2 | D17 K22 N23 | D17-T20 WeakPolarHBondContact CB-OG1 3.38Å; D17-T20 VanDerWaalsContact CG-OG1 3.31Å; D17-T20 VanDerWaalsContact OD2-CB 3.27Å; D17-T20 WeakPolarHBondContact OD2-CB 3.46Å; D17-T20 WeakPolarHBondContact OD2-CG2 3.43Å; D17-T20 PolarHBondContact OD2-N 2.91Å; D17-T20 PolarHBondContact OD2-OG1 2.92Å; T20-K22 WeakPolarHBondContact O-CG 3.31Å; T20-K22 PolarHBondContact O-N 3.06Å; T20-N23 PolarHBondContact OG1-ND2 3.36Å |
| 21 | K | 87.5 | Confident | 93.7 | Very high | 103 Ų | 103 | 72.1 Ų | 72.1 | 45% | 0.448 | 37% | 0.374 | S | S | . | . | S | Bend | trans | 51.5 | 16.3 | -176.1 | -64.4 | -67.7 | -170.9 | 175.7 | 0 | 115.2 | I16 D17 P18 N83 | I16-K21 VanDerWaalsContact CG2-C 3.42Å; D17-K21 WeakPolarHBondContact O-CA 3.44Å; D17-K21 PolarHBondContact O-N 3.43Å; P18-K21 VanDerWaalsContact O-CE 3.3Å; P18-K21 WeakPolarHBondContact O-CE 3.4Å; K21-N83 PolarHBondContact NZ-O 2.92Å |
| 22 | K | 87.7 | Confident | 93.7 | Very high | 179 Ų | 179 | 72.5 Ų | 72.5 | 78% | 0.778 | 38% | 0.377 | S | S | * | . | S | Bend | trans | -130.1 | -31.5 | -176.2 | -70.9 | -179.2 | 179.9 | -177.8 | 0 | 113.7 | T20 | T20-K22 WeakPolarHBondContact O-CG 3.31Å; T20-K22 PolarHBondContact O-N 3.06Å |
| 23 | N | 92.4 | Very high | 93.7 | Very high | 95 Ų | 95 | 71.9 Ų | 71.9 | 51% | 0.508 | 38% | 0.378 | S | S | . | . | trans | -93.4 | 140 | -174.3 | -63 | -39.7 | 0 | 0 | 0 | 111.7 | I16 D17 T20 | I16-N23 WeakPolarHBondContact CA-O 3.49Å; D17-N23 HydrophobicContact CB-CB 4.45Å; D17-N23 PolarHBondContact N-O 3.12Å; T20-N23 PolarHBondContact OG1-ND2 3.36Å | ||
| 24 | W | 96.1 | Very high | 93.7 | Very high | 86 Ų | 86 | 71.9 Ų | 71.9 | 33% | 0.326 | 38% | 0.378 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.3 | 127.8 | 170.9 | -73.8 | 108.4 | 0 | 0 | 0 | 111 | F14 I16 F74 Q76 V85 | F14-W24 HydrophobicContact CB-CD2 4.42Å; F14-W24 HydrophobicContact CB-CE3 3.65Å; F14-W24 HydrophobicContact CB-CZ3 4.19Å; I16-W24 HydrophobicContact CD1-CH2 4.34Å; I16-W24 HydrophobicContact CD1-CZ2 4.25Å; I16-W24 HydrophobicContact CG1-CD2 4.12Å; I16-W24 HydrophobicContact CG1-CE3 3.92Å; I16-W24 HydrophobicContact CG1-CH2 3.88Å; I16-W24 HydrophobicContact CG1-CZ2 4.04Å; I16-W24 HydrophobicContact CG1-CZ3 3.8Å; W24-F74 AromaticContact CD2-CZ 3.99Å; W24-F74 HydrophobicContact CD2-CZ 3.99Å; W24-F74 AromaticContact CE2-CE1 3.91Å; W24-F74 AromaticContact CE2-CZ 3.83Å; W24-F74 HydrophobicContact CE3-CZ 4.22Å; W24-F74 HydrophobicContact CH2-CE1 4.19Å; W24-F74 HydrophobicContact CH2-CZ 4.14Å; W24-F74 AromaticContact CZ2-CE1 3.72Å; W24-F74 HydrophobicContact CZ2-CE1 3.72Å; W24-F74 AromaticContact CZ2-CZ 3.92Å; W24-F74 HydrophobicContact CZ2-CZ 3.92Å; W24-F74 HydrophobicContact CZ3-CZ 4.29Å; W24-Q76 HydrophobicContact CH2-CB 3.79Å; W24-Q76 HydrophobicContact CZ2-CB 4.03Å; W24-V85 HydrophobicContact CH2-CG1 3.96Å |
| 25 | V | 96.3 | Very high | 93.7 | Very high | 69 Ų | 69 | 69.8 Ų | 69.8 | 42% | 0.418 | 37% | 0.37 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.9 | 126 | 176.1 | -176.5 | 0 | 0 | 0 | 0 | 108.9 | F14 Q15 D17 T27 | F14-V25 WeakPolarHBondContact CA-O 3.31Å; Q15-V25 PolarHBondContact N-O 2.99Å; Q15-V25 PolarHBondContact O-N 3.03Å; D17-V25 HydrophobicContact CB-CG2 3.79Å; V25-T27 PolarHBondContact O-N 2.97Å |
| 26 | P | 96.8 | Very high | 93.7 | Very high | 85 Ų | 85 | 67.6 Ų | 67.6 | 55% | 0.552 | 36% | 0.36 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -64.7 | 125.5 | 175.6 | 27 | -33.3 | 0 | 0 | 0 | 110 | F14 | F14-P26 HydrophobicContact CD1-CB 4.08Å; F14-P26 HydrophobicContact CE1-CB 3.98Å |
| 27 | T | 96.1 | Very high | 93.9 | Very high | 40 Ų | 40 | 67.9 Ų | 67.9 | 25% | 0.245 | 36% | 0.36 | C | S | . | . | S | Bend | trans | -93.3 | -28.1 | 176.7 | -46.8 | 0 | 0 | 0 | 0 | 111.6 | V13 Q15 V25 I56 | V13-T27 HydrophobicContact CG1-CG2 4.43Å; V13-T27 PolarHBondContact O-N 3.43Å; Q15-T27 PolarHBondContact N-OG1 3.4Å; Q15-T27 PolarHBondContact NE2-OG1 3.16Å; V25-T27 PolarHBondContact O-N 2.97Å; T27-I56 HydrophobicContact CG2-CB 3.73Å; T27-I56 HydrophobicContact CG2-CG2 3.92Å |
| 28 | S | 95.6 | Very high | 94.2 | Very high | 7 Ų | 7 | 69.6 Ų | 69.6 | 5% | 0.049 | 37% | 0.366 | C | S | . | . | trans | -118.5 | 142.3 | 172.4 | 70.1 | 0 | 0 | 0 | 0 | 111.3 | V13 H30 | V13-S28 PolarHBondContact N-OG 3.02Å; V13-S28 VanDerWaalsContact N-OG 3.11Å; V13-S28 PolarHBondContact O-N 3.35Å; S28-H30 WeakPolarHBondContact CB-O 3.5Å; S28-H30 PolarHBondContact OG-O 2.89Å | ||
| 29 | K | 92.9 | Very high | 94.5 | Very high | 185 Ų | 185 | 65.1 Ų | 65.1 | 80% | 0.804 | 34% | 0.337 | S | S | * | . | S | Bend | trans | -75.5 | -25.9 | 177 | -72.4 | -175.2 | 177.5 | -179.3 | 0 | 113.5 | ||
| 30 | H | 95.8 | Very high | 94.7 | Very high | 139 Ų | 139 | 64.4 Ų | 64.4 | 64% | 0.644 | 33% | 0.332 | S | S | * | . | S | Bend | trans | -130.5 | 172.9 | 179.7 | -56.9 | -61.6 | 0 | 0 | 0 | 109.7 | S28 V32 | S28-H30 WeakPolarHBondContact CB-O 3.5Å; S28-H30 PolarHBondContact OG-O 2.89Å; H30-V32 PolarHBondContact O-N 2.99Å |
| 31 | A | 97.1 | Very high | 94.9 | Very high | 28 Ų | 28 | 67.3 Ų | 67.3 | 23% | 0.231 | 35% | 0.349 | C | S | . | . | trans | -61.1 | 128.7 | 167.3 | 0 | 0 | 0 | 0 | 0 | 109.3 | R10 A11 H12 | R10-A31 PolarHBondContact NH1-O 3.28Å; R10-A31 PolarHBondContact NH2-O 2.6Å; A11-A31 CarbonylContact O-C 3.6Å; A11-A31 WeakPolarHBondContact O-CA 3.23Å; H12-A31 PolarHBondContact CD2-N 2.94Å; H12-A31 VanDerWaalsContact CD2-N 3.33Å; H12-A31 PolarHBondContact NE2-N 3.28Å; H12-A31 VanDerWaalsContact NE2-N 3.13Å | ||
| 32 | V | 98.1 | Very high | 95 | Very high | 10 Ų | 10 | 68.5 Ų | 68.5 | 6% | 0.061 | 35% | 0.351 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.4 | 165.9 | 177.7 | -71.6 | 0 | 0 | 0 | 0 | 109.6 | R10 A11 V13 H30 V34 S49 D51 I56 | R10-V32 WeakPolarHBondContact CA-O 3.31Å; A11-V32 PolarHBondContact N-O 2.93Å; A11-V32 WeakPolarHBondContact O-CG2 3.39Å; A11-V32 PolarHBondContact O-N 3.08Å; V13-V32 HydrophobicContact CB-CG2 4.45Å; V13-V32 HydrophobicContact CG2-CG2 3.42Å; V13-V32 VanDerWaalsContact CG2-CG2 3.42Å; H30-V32 PolarHBondContact O-N 2.99Å; V32-V34 HydrophobicContact CG2-CG2 4.44Å; V32-S49 WeakPolarHBondContact CG2-OG 3.21Å; V32-D51 HydrophobicContact CG1-CB 4.35Å; V32-I56 HydrophobicContact CG1-CD1 4.4Å; V32-I56 HydrophobicContact CG2-CD1 3.94Å |
| 33 | T | 98.1 | Very high | 95.2 | Very high | 63 Ų | 63 | 62.3 Ų | 62.3 | 39% | 0.387 | 33% | 0.327 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.3 | 127.9 | 173.9 | -53.3 | 0 | 0 | 0 | 0 | 109.2 | T9 R10 S49 | T9-T33 CarbonylContact O-C 3.49Å; T9-T33 WeakPolarHBondContact O-CA 3.45Å; R10-T33 WeakPolarHBondContact CD-OG1 3.32Å; R10-T33 PolarHBondContact NH1-OG1 3.32Å; T33-S49 WeakPolarHBondContact O-CB 3.49Å; T33-S49 PolarHBondContact O-OG 2.94Å |
| 34 | V | 98.4 | Very high | 95.3 | Very high | 0 Ų | 0 | 59.6 Ų | 59.6 | 0% | 0 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.9 | 123.8 | 176 | -173.7 | 0 | 0 | 0 | 0 | 107.4 | T9 A11 V13 V32 I47 I57 L88 F99 | T9-V34 PolarHBondContact N-O 3.29Å; T9-V34 PolarHBondContact O-N 2.82Å; A11-V34 HydrophobicContact CB-CG2 4.29Å; V13-V34 HydrophobicContact CG2-CG2 4.14Å; V32-V34 HydrophobicContact CG2-CG2 4.44Å; V34-I47 HydrophobicContact CG1-CG2 3.69Å; V34-I57 HydrophobicContact CG1-CD1 4.18Å; V34-I57 HydrophobicContact CG2-CD1 4.39Å; V34-L88 HydrophobicContact CG1-CD1 4.11Å; V34-L88 HydrophobicContact CG2-CD2 3.95Å; V34-F99 HydrophobicContact CG1-CE2 3.95Å; V34-F99 HydrophobicContact CG1-CZ 4.32Å |
| 35 | S | 98.3 | Very high | 95.4 | Very high | 8 Ų | 8 | 57.6 Ų | 57.6 | 6% | 0.056 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.1 | 147.3 | -169.5 | -59.3 | 0 | 0 | 0 | 0 | 112.4 | F7 S8 I47 I48 | F7-S35 CarbonylContact O-C 3.59Å; F7-S35 WeakPolarHBondContact O-CA 3.29Å; F7-S35 WeakPolarHBondContact O-CB 3.35Å; S8-S35 VanDerWaalsContact CB-OG 3.3Å; S8-S35 WeakPolarHBondContact CB-OG 3.35Å; S8-S35 PolarHBondContact OG-OG 3.5Å; S35-I47 WeakPolarHBondContact O-CA 3.32Å; S35-I48 PolarHBondContact N-O 3.5Å; S35-I48 PolarHBondContact O-N 2.86Å |
| 36 | Y | 98.2 | Very high | 95.4 | Very high | 0 Ų | 0 | 55.7 Ų | 55.7 | 0% | 0 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.9 | 133.7 | 168.8 | -67.5 | -93 | 0 | 0 | 0 | 109.6 | P5 I6 F7 R46 I47 I61 F99 K102 F103 F106 | P5-Y36 CarbonylContact C-O 3.58Å; P5-Y36 WeakPolarHBondContact CA-O 3.49Å; I6-Y36 PolarHBondContact N-O 3.11Å; F7-Y36 HydrophobicContact CB-CD2 4.13Å; F7-Y36 AromaticContact CD1-CD2 3.77Å; F7-Y36 HydrophobicContact CD1-CD2 3.77Å; F7-Y36 HydrophobicContact CD1-CE2 4.05Å; F7-Y36 HydrophobicContact CG-CD2 4.36Å; F7-Y36 PolarHBondContact O-N 3.49Å; Y36-R46 CarbonylContact C-O 3.58Å; Y36-R46 WeakPolarHBondContact CA-O 3.4Å; Y36-I47 HydrophobicContact CD1-CG1 3.79Å; Y36-I47 HydrophobicContact CE1-CD1 3.78Å; Y36-I47 HydrophobicContact CE1-CG1 3.53Å; Y36-I61 HydrophobicContact CD1-CD1 3.59Å; Y36-I61 HydrophobicContact CE1-CD1 3.54Å; Y36-F99 HydrophobicContact CD2-CE2 4.4Å; Y36-F99 AromaticContact CE2-CD2 3.74Å; Y36-F99 HydrophobicContact CE2-CD2 3.74Å; Y36-F99 AromaticContact CE2-CE2 3.44Å; Y36-F99 HydrophobicContact CE2-CE2 3.44Å; Y36-F99 VanDerWaalsContact CE2-CE2 3.44Å; Y36-F99 AromaticContact CE2-CZ 3.97Å; Y36-F99 HydrophobicContact CE2-CZ 3.97Å; Y36-F99 AromaticContact CZ-CE2 3.75Å; Y36-F99 AromaticContact CZ-CZ 3.76Å; Y36-F99 VanDerWaalsContact OH-CE1 3.31Å; Y36-F99 WeakPolarHBondContact OH-CE1 3.47Å; Y36-F99 VanDerWaalsContact OH-CZ 3.23Å; Y36-F99 WeakPolarHBondContact OH-CZ 3.45Å; Y36-F99 PolarHBondContact OH-O 2.69Å; Y36-K102 HydrophobicContact CD2-CB 4.43Å; Y36-K102 HydrophobicContact CE2-CB 3.93Å; Y36-F103 WeakPolarHBondContact OH-CA 3.39Å; Y36-F103 WeakPolarHBondContact OH-CB 3.45Å; Y36-F103 WeakPolarHBondContact OH-CD2 3.43Å; Y36-F103 PolarHBondContact OH-N 2.97Å; Y36-F106 VanDerWaalsContact CB-CE2 3.49Å; Y36-F106 HydrophobicContact CD1-CB 4.28Å; Y36-F106 AromaticContact CD1-CD2 3.23Å; Y36-F106 HydrophobicContact CD1-CD2 3.23Å; Y36-F106 AromaticContact CD1-CE2 3.83Å; Y36-F106 HydrophobicContact CD1-CE2 3.83Å; Y36-F106 HydrophobicContact CD1-CG 4.04Å; Y36-F106 AromaticContact CD2-CD2 3.95Å; Y36-F106 HydrophobicContact CD2-CD2 3.95Å; Y36-F106 AromaticContact CD2-CE2 3.77Å; Y36-F106 HydrophobicContact CD2-CE2 3.77Å; Y36-F106 HydrophobicContact CE1-CB 4.48Å; Y36-F106 AromaticContact CE1-CD2 3.68Å; Y36-F106 HydrophobicContact CE1-CD2 3.68Å; Y36-F106 HydrophobicContact CE1-CE2 4.46Å; Y36-F106 HydrophobicContact CE2-CD2 4.33Å; Y36-F106 HydrophobicContact CE2-CE2 4.41Å; Y36-F106 AromaticContact CG-CD2 3.38Å; Y36-F106 HydrophobicContact CG-CD2 3.38Å; Y36-F106 AromaticContact CG-CE2 3.43Å; Y36-F106 HydrophobicContact CG-CE2 3.43Å; Y36-F106 VanDerWaalsContact CG-CE2 3.43Å; Y36-F106 HydrophobicContact CG-CG 4.44Å |
| 37 | F | 97.1 | Very high | 95.5 | Very high | 33 Ų | 33 | 51.7 Ų | 51.7 | 15% | 0.145 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.6 | 150.7 | 176.1 | -69.6 | -94.1 | 0 | 0 | 0 | 109.8 | E3 P5 Y45 R46 I48 | E3-F37 HydrophobicContact CB-CD1 4.03Å; E3-F37 WeakPolarHBondContact O-CE1 3.46Å; P5-F37 HydrophobicContact CB-CD1 4.29Å; P5-F37 HydrophobicContact CB-CE1 3.79Å; P5-F37 HydrophobicContact CB-CE2 4.24Å; P5-F37 HydrophobicContact CB-CZ 3.77Å; P5-F37 HydrophobicContact CG-CE1 4.32Å; P5-F37 HydrophobicContact CG-CZ 4.37Å; F37-Y45 CarbonylContact O-C 3.53Å; F37-Y45 WeakPolarHBondContact O-CA 3.37Å; F37-R46 PolarHBondContact N-O 2.94Å; F37-R46 PolarHBondContact O-N 3.02Å; F37-I48 HydrophobicContact CB-CD1 4.29Å; F37-I48 HydrophobicContact CD2-CB 3.76Å; F37-I48 HydrophobicContact CD2-CD1 3.71Å; F37-I48 HydrophobicContact CD2-CG1 3.84Å; F37-I48 HydrophobicContact CE2-CB 3.78Å; F37-I48 HydrophobicContact CE2-CD1 4.23Å; F37-I48 HydrophobicContact CE2-CG1 4.34Å; F37-I48 HydrophobicContact CE2-CG2 4.42Å; F37-I48 HydrophobicContact CG-CD1 4.1Å |
| 38 | F | 95.5 | Very high | 95.5 | Very high | 69 Ų | 69 | 51 Ų | 51 | 30% | 0.303 | 26% | 0.26 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.7 | 114.3 | 167.1 | 174.9 | -111 | 0 | 0 | 0 | 108.4 | I6 S40 N43 Y45 | I6-F38 HydrophobicContact CD1-CB 3.76Å; I6-F38 HydrophobicContact CG1-CB 4.46Å; F38-S40 PolarHBondContact O-N 2.86Å; F38-N43 VanDerWaalsContact CZ-OD1 3.3Å; F38-N43 WeakPolarHBondContact CZ-OD1 3.48Å; F38-Y45 HydrophobicContact CB-CD1 4.11Å; F38-Y45 HydrophobicContact CB-CE1 3.91Å; F38-Y45 HydrophobicContact CD2-CD1 4.05Å; F38-Y45 HydrophobicContact CD2-CD2 4.04Å; F38-Y45 AromaticContact CD2-CE1 3.71Å; F38-Y45 HydrophobicContact CD2-CE1 3.71Å; F38-Y45 AromaticContact CD2-CE2 3.69Å; F38-Y45 HydrophobicContact CD2-CE2 3.69Å; F38-Y45 HydrophobicContact CD2-CG 4.2Å; F38-Y45 AromaticContact CD2-CZ 3.51Å; F38-Y45 HydrophobicContact CE2-CD2 4.48Å; F38-Y45 AromaticContact CE2-CE2 3.93Å; F38-Y45 HydrophobicContact CE2-CE2 3.93Å; F38-Y45 HydrophobicContact CG-CE1 4.13Å |
| 39 | D | 93.4 | Very high | 95.7 | Very high | 5 Ų | 5 | 50.8 Ų | 50.8 | 3% | 0.027 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.6 | 101.4 | 175.1 | -179.6 | -35.2 | 0 | 0 | 0 | 107.9 | E3 T41 R42 N43 V44 R46 | E3-D39 WeakPolarHBondContact OE1-CA 3.47Å; D39-T41 PolarHBondContact O-N 3.29Å; D39-T41 WeakPolarHBondContact OD1-CB 3.36Å; D39-T41 PolarHBondContact OD1-N 3.12Å; D39-T41 PolarHBondContact OD1-OG1 3.39Å; D39-R42 PolarHBondContact O-N 3.28Å; D39-R42 PolarHBondContact OD1-N 3.47Å; D39-R42 IonicContact OD1-NE 2.77Å; D39-R42 IonicContact OD2-CZ 3.04Å; D39-R42 IonicContact OD2-NE 3.13Å; D39-R42 PolarHBondContact OD2-NE 3.37Å; D39-R42 IonicContact OD2-NH2 2.67Å; D39-R42 PolarHBondContact OD2-NH2 3.43Å; D39-N43 VanDerWaalsContact O-CA 3.27Å; D39-N43 WeakPolarHBondContact O-CA 3.47Å; D39-N43 PolarHBondContact O-N 3.04Å; D39-V44 HydrophobicContact CB-CG2 4.08Å; D39-V44 PolarHBondContact N-O 3.08Å; D39-V44 PolarHBondContact O-N 3.02Å; D39-R46 IonicContact OD2-NH1 3.82Å |
| 40 | S | 90.5 | Very high | 95.8 | Very high | 87 Ų | 87 | 46.5 Ų | 46.5 | 61% | 0.608 | 24% | 0.244 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -70.2 | -21 | -177.5 | 60.1 | 0 | 0 | 0 | 0 | 113.1 | F38 | F38-S40 PolarHBondContact O-N 2.86Š|
| 41 | T | 90.3 | Very high | 95.7 | Very high | 122 Ų | 122 | 43 Ų | 43 | 75% | 0.748 | 23% | 0.23 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -75.4 | -34.9 | 179.3 | 72.6 | 0 | 0 | 0 | 0 | 111.9 | D39 | D39-T41 PolarHBondContact O-N 3.29Å; D39-T41 WeakPolarHBondContact OD1-CB 3.36Å; D39-T41 PolarHBondContact OD1-N 3.12Å; D39-T41 PolarHBondContact OD1-OG1 3.39Å |
| 42 | R | 90.1 | Very high | 95.5 | Very high | 129 Ų | 129 | 45 Ų | 45 | 49% | 0.487 | 25% | 0.253 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -104 | -4.8 | 177.8 | -68 | -176.7 | -67.3 | 168.7 | -2.3 | 113.5 | D39 V44 R46 | D39-R42 PolarHBondContact O-N 3.28Å; D39-R42 PolarHBondContact OD1-N 3.47Å; D39-R42 IonicContact OD1-NE 2.77Å; D39-R42 IonicContact OD2-CZ 3.04Å; D39-R42 IonicContact OD2-NE 3.13Å; D39-R42 PolarHBondContact OD2-NE 3.37Å; D39-R42 IonicContact OD2-NH2 2.67Å; D39-R42 PolarHBondContact OD2-NH2 3.43Å; R42-V44 HydrophobicContact CB-CG2 3.85Å; R42-V44 PolarHBondContact O-N 2.95Å; R42-R46 VanDerWaalsContact NH2-CZ 3.28Å; R42-R46 VanDerWaalsContact NH2-NH1 3.13Å |
| 43 | N | 92.6 | Very high | 95.1 | Very high | 49 Ų | 49 | 50.7 Ų | 50.7 | 26% | 0.262 | 29% | 0.293 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 54 | 47.4 | -176.9 | -165.5 | 29.5 | 0 | 0 | 0 | 112.6 | F38 D39 A113 S117 | F38-N43 VanDerWaalsContact CZ-OD1 3.3Å; F38-N43 WeakPolarHBondContact CZ-OD1 3.48Å; D39-N43 VanDerWaalsContact O-CA 3.27Å; D39-N43 WeakPolarHBondContact O-CA 3.47Å; D39-N43 PolarHBondContact O-N 3.04Å; N43-A113 PolarHBondContact ND2-O 3.33Å; N43-A113 VanDerWaalsContact ND2-O 3.08Å; N43-S117 PolarHBondContact ND2-OG 3.34Å |
| 44 | V | 94.8 | Very high | 94.9 | Very high | 38 Ų | 38 | 54.7 Ų | 54.7 | 23% | 0.23 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.9 | 148.2 | -177.3 | -67.1 | 0 | 0 | 0 | 0 | 113 | D39 R42 R46 T60 | D39-V44 HydrophobicContact CB-CG2 4.08Å; D39-V44 PolarHBondContact N-O 3.08Å; D39-V44 PolarHBondContact O-N 3.02Å; R42-V44 HydrophobicContact CB-CG2 3.85Å; R42-V44 PolarHBondContact O-N 2.95Å; V44-R46 HydrophobicContact CG2-CG 4.31Å; V44-T60 HydrophobicContact CB-CG2 3.93Å; V44-T60 HydrophobicContact CG1-CG2 4.22Å; V44-T60 HydrophobicContact CG2-CG2 4.08Å |
| 45 | Y | 96.8 | Very high | 94.8 | Very high | 43 Ų | 43 | 57.4 Ų | 57.4 | 17% | 0.169 | 33% | 0.327 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.5 | 139.4 | 171.2 | -65.4 | -92.8 | 0 | 0 | 0 | 110.7 | I6 F37 F38 I61 F106 A109 A110 A113 | I6-Y45 HydrophobicContact CD1-CD1 3.78Å; I6-Y45 HydrophobicContact CD1-CE1 3.69Å; F37-Y45 CarbonylContact O-C 3.53Å; F37-Y45 WeakPolarHBondContact O-CA 3.37Å; F38-Y45 HydrophobicContact CB-CD1 4.11Å; F38-Y45 HydrophobicContact CB-CE1 3.91Å; F38-Y45 HydrophobicContact CD2-CD1 4.05Å; F38-Y45 HydrophobicContact CD2-CD2 4.04Å; F38-Y45 AromaticContact CD2-CE1 3.71Å; F38-Y45 HydrophobicContact CD2-CE1 3.71Å; F38-Y45 AromaticContact CD2-CE2 3.69Å; F38-Y45 HydrophobicContact CD2-CE2 3.69Å; F38-Y45 HydrophobicContact CD2-CG 4.2Å; F38-Y45 AromaticContact CD2-CZ 3.51Å; F38-Y45 HydrophobicContact CE2-CD2 4.48Å; F38-Y45 AromaticContact CE2-CE2 3.93Å; F38-Y45 HydrophobicContact CE2-CE2 3.93Å; F38-Y45 HydrophobicContact CG-CE1 4.13Å; Y45-I61 PolarHBondContact O-N 2.78Å; Y45-F106 HydrophobicContact CD1-CB 4.27Å; Y45-F106 AromaticContact CD1-CD1 3.58Å; Y45-F106 HydrophobicContact CD1-CD1 3.58Å; Y45-F106 HydrophobicContact CD1-CE1 4.28Å; Y45-F106 HydrophobicContact CD1-CG 4.15Å; Y45-F106 AromaticContact CE1-CD1 3.71Å; Y45-F106 HydrophobicContact CE1-CD1 3.71Å; Y45-F106 HydrophobicContact CE1-CE1 4.16Å; Y45-F106 HydrophobicContact CG-CB 4.35Å; Y45-F106 HydrophobicContact CG-CD1 4.43Å; Y45-A109 HydrophobicContact CD2-CB 4.11Å; Y45-A109 HydrophobicContact CE1-CB 4.28Å; Y45-A109 HydrophobicContact CE2-CB 3.48Å; Y45-A109 VanDerWaalsContact CE2-CB 3.48Å; Y45-A110 HydrophobicContact CD2-CB 4.13Å; Y45-A113 HydrophobicContact CE2-CB 4.49Å |
| 46 | R | 97.2 | Very high | 94.7 | Very high | 30 Ų | 30 | 57.6 Ų | 57.6 | 11% | 0.113 | 33% | 0.327 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.5 | 138.6 | -175.9 | -70 | 166.2 | 65 | -149.6 | -0.4 | 111.5 | Y36 F37 D39 R42 V44 I48 N58 S59 T60 | Y36-R46 CarbonylContact C-O 3.58Å; Y36-R46 WeakPolarHBondContact CA-O 3.4Å; F37-R46 PolarHBondContact N-O 2.94Å; F37-R46 PolarHBondContact O-N 3.02Å; D39-R46 IonicContact OD2-NH1 3.82Å; R42-R46 VanDerWaalsContact NH2-CZ 3.28Å; R42-R46 VanDerWaalsContact NH2-NH1 3.13Å; V44-R46 HydrophobicContact CG2-CG 4.31Å; R46-I48 HydrophobicContact CB-CD1 4.35Å; R46-I48 HydrophobicContact CB-CG1 4.14Å; R46-N58 PolarHBondContact NE-OD1 3.23Å; R46-N58 PolarHBondContact NH2-OD1 3.3Å; R46-S59 CarbonylContact C-O 3.58Å; R46-S59 VanDerWaalsContact CA-O 3.23Å; R46-S59 WeakPolarHBondContact CA-O 3.32Å; R46-T60 HydrophobicContact CG-CG2 4.41Å |
| 47 | I | 98.1 | Very high | 94.7 | Very high | 0 Ų | 0 | 57.6 Ų | 57.6 | 0% | 0 | 33% | 0.327 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92 | 121.6 | 165.9 | -52.1 | 175.8 | 0 | 0 | 0 | 107.1 | V34 S35 Y36 I57 N58 S59 I61 W77 F99 F103 | V34-I47 HydrophobicContact CG1-CG2 3.69Å; S35-I47 WeakPolarHBondContact O-CA 3.32Å; Y36-I47 HydrophobicContact CD1-CG1 3.79Å; Y36-I47 HydrophobicContact CE1-CD1 3.78Å; Y36-I47 HydrophobicContact CE1-CG1 3.53Å; I47-I57 HydrophobicContact CB-CG2 4.31Å; I47-I57 HydrophobicContact CG2-CG2 4.01Å; I47-N58 WeakPolarHBondContact O-CA 3.42Å; I47-S59 PolarHBondContact N-O 3.1Å; I47-S59 PolarHBondContact O-N 3.5Å; I47-I61 HydrophobicContact CD1-CD1 4.34Å; I47-I61 HydrophobicContact CD1-CG1 4.34Å; I47-I61 HydrophobicContact CG1-CD1 3.92Å; I47-I61 HydrophobicContact CG1-CG1 4.04Å; I47-W77 HydrophobicContact CB-CZ2 4.33Å; I47-W77 HydrophobicContact CD1-CH2 4.12Å; I47-W77 HydrophobicContact CD1-CZ2 3.74Å; I47-W77 HydrophobicContact CG2-CH2 4.13Å; I47-W77 HydrophobicContact CG2-CZ2 4.15Å; I47-F99 HydrophobicContact CD1-CZ 4.22Å; I47-F99 HydrophobicContact CG2-CZ 4.36Å; I47-F103 HydrophobicContact CD1-CD2 3.79Å; I47-F103 HydrophobicContact CD1-CE2 3.58Å |
| 48 | I | 97.7 | Very high | 94.7 | Very high | 26 Ų | 26 | 59.7 Ų | 59.7 | 13% | 0.133 | 34% | 0.34 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.3 | 137.1 | -179.7 | -54 | -179.9 | 0 | 0 | 0 | 109.2 | S35 F37 R46 L50 I57 | S35-I48 PolarHBondContact N-O 3.5Å; S35-I48 PolarHBondContact O-N 2.86Å; F37-I48 HydrophobicContact CB-CD1 4.29Å; F37-I48 HydrophobicContact CD2-CB 3.76Å; F37-I48 HydrophobicContact CD2-CD1 3.71Å; F37-I48 HydrophobicContact CD2-CG1 3.84Å; F37-I48 HydrophobicContact CE2-CB 3.78Å; F37-I48 HydrophobicContact CE2-CD1 4.23Å; F37-I48 HydrophobicContact CE2-CG1 4.34Å; F37-I48 HydrophobicContact CE2-CG2 4.42Å; F37-I48 HydrophobicContact CG-CD1 4.1Å; R46-I48 HydrophobicContact CB-CD1 4.35Å; R46-I48 HydrophobicContact CB-CG1 4.14Å; I48-L50 HydrophobicContact CG2-CD2 4.22Å; I48-I57 WeakPolarHBondContact CA-O 3.27Å |
| 49 | S | 97.8 | Very high | 94.8 | Very high | 2 Ų | 2 | 56.4 Ų | 56.4 | 1% | 0.014 | 33% | 0.326 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.6 | 138.6 | 170.4 | -172.6 | 0 | 0 | 0 | 0 | 109.7 | V32 T33 I56 I57 | V32-S49 WeakPolarHBondContact CG2-OG 3.21Å; T33-S49 WeakPolarHBondContact O-CB 3.49Å; T33-S49 PolarHBondContact O-OG 2.94Å; S49-I56 WeakPolarHBondContact O-CG1 3.27Å; S49-I56 PolarHBondContact O-N 3.35Å; S49-I57 PolarHBondContact N-O 2.92Å; S49-I57 PolarHBondContact O-N 2.89Å; S49-I57 VanDerWaalsContact O-N 3.17Å |
| 50 | L | 96.4 | Very high | 94.9 | Very high | 95 Ų | 95 | 57.3 Ų | 57.3 | 50% | 0.497 | 33% | 0.332 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.8 | 137.9 | -178.7 | -52.9 | -178.4 | 0 | 0 | 0 | 109.6 | I48 K54 A55 | I48-L50 HydrophobicContact CG2-CD2 4.22Å; L50-K54 WeakPolarHBondContact CA-O 3.42Å; L50-A55 HydrophobicContact CD2-CB 3.84Å |
| 51 | D | 94.1 | Very high | 95.3 | Very high | 67 Ų | 67 | 53.4 Ų | 53.4 | 36% | 0.358 | 30% | 0.304 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.6 | 108.3 | 164.6 | -164.6 | -2.6 | 0 | 0 | 0 | 107.5 | V32 S53 K54 I56 | V32-D51 HydrophobicContact CG1-CB 4.35Å; D51-S53 PolarHBondContact O-N 3.28Å; D51-K54 PolarHBondContact N-O 3.4Å; D51-K54 PolarHBondContact O-N 3.25Å; D51-I56 HydrophobicContact CB-CD1 3.82Å; D51-I56 HydrophobicContact CB-CG1 4.22Å; D51-I56 HydrophobicContact CB-CG2 3.93Å |
| 52 | G | 91.2 | Very high | 95.5 | Very high | 69 Ų | 69 | 50 Ų | 50 | 71% | 0.711 | 28% | 0.283 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 56.5 | -124.5 | -162.6 | 0 | 0 | 0 | 0 | 0 | 111.7 | ||
| 53 | S | 90.8 | Very high | 95.7 | Very high | 129 Ų | 129 | 46.1 Ų | 46.1 | 90% | 0.902 | 27% | 0.274 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87.6 | -4.1 | 175.9 | 55.4 | 0 | 0 | 0 | 0 | 114.3 | D51 | D51-S53 PolarHBondContact O-N 3.28Š|
| 54 | K | 94.4 | Very high | 95.7 | Very high | 148 Ų | 148 | 49.8 Ų | 49.8 | 64% | 0.643 | 29% | 0.294 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -95.3 | 125.5 | -174.7 | -176.5 | 179.8 | 177.5 | -175.7 | 0 | 111 | L50 D51 I56 | L50-K54 WeakPolarHBondContact CA-O 3.42Å; D51-K54 PolarHBondContact N-O 3.4Å; D51-K54 PolarHBondContact O-N 3.25Å; K54-I56 HydrophobicContact CD-CG2 4.46Å; K54-I56 HydrophobicContact CG-CG2 4.36Å; K54-I56 PolarHBondContact O-N 3.38Å |
| 55 | A | 94.9 | Very high | 95.8 | Very high | 56 Ų | 56 | 48.5 Ų | 48.5 | 46% | 0.463 | 29% | 0.286 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.8 | 119.3 | 166.9 | 0 | 0 | 0 | 0 | 0 | 110.3 | L50 | L50-A55 HydrophobicContact CD2-CB 3.84Å |
| 56 | I | 96.9 | Very high | 95.8 | Very high | 12 Ų | 12 | 51.2 Ų | 51.2 | 6% | 0.062 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.3 | -21.1 | 179.5 | 53.2 | 161.1 | 0 | 0 | 0 | 112.8 | V13 T27 V32 S49 D51 K54 | V13-I56 HydrophobicContact CB-CD1 4.12Å; V13-I56 HydrophobicContact CG1-CD1 4.44Å; V13-I56 HydrophobicContact CG2-CD1 4.02Å; T27-I56 HydrophobicContact CG2-CB 3.73Å; T27-I56 HydrophobicContact CG2-CG2 3.92Å; V32-I56 HydrophobicContact CG1-CD1 4.4Å; V32-I56 HydrophobicContact CG2-CD1 3.94Å; S49-I56 WeakPolarHBondContact O-CG1 3.27Å; S49-I56 PolarHBondContact O-N 3.35Å; D51-I56 HydrophobicContact CB-CD1 3.82Å; D51-I56 HydrophobicContact CB-CG1 4.22Å; D51-I56 HydrophobicContact CB-CG2 3.93Å; K54-I56 HydrophobicContact CD-CG2 4.46Å; K54-I56 HydrophobicContact CG-CG2 4.36Å; K54-I56 PolarHBondContact O-N 3.38Å |
| 57 | I | 97.9 | Very high | 95.9 | Very high | 0 Ų | 0 | 50.9 Ų | 50.9 | 0% | 0 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.4 | 132.7 | 162.4 | -53.2 | 174.1 | 0 | 0 | 0 | 107.5 | V13 V34 I47 I48 S49 W77 Y86 L88 | V13-I57 HydrophobicContact CB-CD1 4.41Å; V13-I57 HydrophobicContact CG1-CD1 3.7Å; V13-I57 HydrophobicContact CG1-CG1 3.74Å; V13-I57 HydrophobicContact CG2-CD1 3.74Å; V13-I57 HydrophobicContact CG2-CG1 4.37Å; V34-I57 HydrophobicContact CG1-CD1 4.18Å; V34-I57 HydrophobicContact CG2-CD1 4.39Å; I47-I57 HydrophobicContact CB-CG2 4.31Å; I47-I57 HydrophobicContact CG2-CG2 4.01Å; I48-I57 WeakPolarHBondContact CA-O 3.27Å; S49-I57 PolarHBondContact N-O 2.92Å; S49-I57 PolarHBondContact O-N 2.89Å; S49-I57 VanDerWaalsContact O-N 3.17Å; I57-W77 HydrophobicContact CD1-CH2 4.16Å; I57-W77 HydrophobicContact CG2-CH2 4.33Å; I57-W77 HydrophobicContact CG2-CZ2 3.92Å; I57-Y86 HydrophobicContact CB-CE1 4.34Å; I57-Y86 HydrophobicContact CG1-CD1 3.97Å; I57-Y86 HydrophobicContact CG1-CE1 4.08Å; I57-Y86 HydrophobicContact CG2-CD1 4.32Å; I57-Y86 HydrophobicContact CG2-CE1 4.2Å; I57-Y86 HydrophobicContact CG2-CE2 4.44Å; I57-L88 HydrophobicContact CD1-CD2 3.94Å |
| 58 | N | 96.6 | Very high | 95.9 | Very high | 78 Ų | 78 | 54.2 Ų | 54.2 | 42% | 0.417 | 33% | 0.327 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.7 | 69.2 | 170.2 | -179.1 | 11.6 | 0 | 0 | 0 | 108.4 | R46 I47 | R46-N58 PolarHBondContact NE-OD1 3.23Å; R46-N58 PolarHBondContact NH2-OD1 3.3Å; I47-N58 WeakPolarHBondContact O-CA 3.42Å |
| 59 | S | 97.8 | Very high | 95.9 | Very high | 0 Ų | 0 | 57.9 Ų | 57.9 | 0% | 0 | 34% | 0.342 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.5 | 126.7 | -171.4 | -170.5 | 0 | 0 | 0 | 0 | 109.8 | R46 I47 M65 W77 D79 | R46-S59 CarbonylContact C-O 3.58Å; R46-S59 VanDerWaalsContact CA-O 3.23Å; R46-S59 WeakPolarHBondContact CA-O 3.32Å; I47-S59 PolarHBondContact N-O 3.1Å; I47-S59 PolarHBondContact O-N 3.5Å; S59-M65 WeakPolarHBondContact OG-CE 3.47Å; S59-W77 PolarHBondContact OG-NE1 2.9Å; S59-D79 VanDerWaalsContact CA-OD2 3.23Å; S59-D79 WeakPolarHBondContact CA-OD2 3.33Å; S59-D79 VanDerWaalsContact CB-OD2 3.23Å; S59-D79 WeakPolarHBondContact CB-OD2 3.46Å; S59-D79 PolarHBondContact OG-OD2 3.34Å |
| 60 | T | 97 | Very high | 95.9 | Very high | 24 Ų | 24 | 61.4 Ų | 61.4 | 15% | 0.147 | 36% | 0.363 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.1 | 124.7 | 176.4 | -56.4 | 0 | 0 | 0 | 0 | 108.7 | V44 R46 T62 | V44-T60 HydrophobicContact CB-CG2 3.93Å; V44-T60 HydrophobicContact CG1-CG2 4.22Å; V44-T60 HydrophobicContact CG2-CG2 4.08Å; R46-T60 HydrophobicContact CG-CG2 4.41Å; T60-T62 PolarHBondContact O-N 3.35Å |
| 61 | I | 97.3 | Very high | 95.9 | Very high | 5 Ų | 5 | 60.1 Ų | 60.1 | 3% | 0.026 | 36% | 0.362 | C | S | . | . | P | Polyproline II helix | trans | -75.9 | 126.7 | -176.1 | -55.7 | 175.6 | 0 | 0 | 0 | 109.1 | Y36 Y45 I47 F106 K107 A110 | Y36-I61 HydrophobicContact CD1-CD1 3.59Å; Y36-I61 HydrophobicContact CE1-CD1 3.54Å; Y45-I61 PolarHBondContact O-N 2.78Å; I47-I61 HydrophobicContact CD1-CD1 4.34Å; I47-I61 HydrophobicContact CD1-CG1 4.34Å; I47-I61 HydrophobicContact CG1-CD1 3.92Å; I47-I61 HydrophobicContact CG1-CG1 4.04Å; I61-F106 HydrophobicContact CD1-CB 3.81Å; I61-K107 HydrophobicContact CG2-CB 4.13Å; I61-A110 HydrophobicContact CG2-CB 4.38Å |
| 62 | T | 95.4 | Very high | 95.9 | Very high | 50 Ų | 50 | 62.8 Ų | 62.8 | 31% | 0.307 | 37% | 0.372 | S | S | . | . | trans | -118.8 | 154.6 | 174.7 | 66.3 | 0 | 0 | 0 | 0 | 110.8 | T60 N64 M65 | T60-T62 PolarHBondContact O-N 3.35Å; T62-N64 WeakPolarHBondContact CB-OD1 3.29Å; T62-N64 PolarHBondContact O-N 3.2Å; T62-N64 PolarHBondContact OG1-OD1 2.83Å; T62-M65 HydrophobicContact CG2-SD 4.31Å; T62-M65 PolarHBondContact N-SD 2.86Å; T62-M65 WeakPolarHBondContact O-CB 3.49Å; T62-M65 PolarHBondContact O-N 2.79Å; T62-M65 WeakPolarHBondContact OG1-CG 3.33Å; T62-M65 PolarHBondContact OG1-SD 3.39Å; T62-M65 VanDerWaalsContact OG1-SD 3.4Å | ||
| 63 | P | 93.9 | Very high | 96.3 | Very high | 47 Ų | 47 | 63.9 Ų | 63.9 | 31% | 0.305 | 36% | 0.357 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -60.3 | -21.5 | -174.4 | -27.7 | 37.3 | 0 | 0 | 0 | 115.3 | R111 | P63-R111 HydrophobicContact CB-CB 4.16Å; P63-R111 HydrophobicContact CB-CG 4.42Å; P63-R111 HydrophobicContact CG-CB 3.91Å; P63-R111 HydrophobicContact CG-CG 4.33Å |
| 64 | N | 93 | Very high | 96.6 | Very high | 126 Ų | 126 | 59.4 Ų | 59.4 | 67% | 0.674 | 32% | 0.322 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -94 | 4.2 | 178.5 | 67.5 | -51.6 | 0 | 0 | 0 | 114.1 | T62 | T62-N64 WeakPolarHBondContact CB-OD1 3.29Å; T62-N64 PolarHBondContact O-N 3.2Å; T62-N64 PolarHBondContact OG1-OD1 2.83Å |
| 65 | M | 96.4 | Very high | 96.8 | Very high | 12 Ų | 12 | 52.3 Ų | 52.3 | 6% | 0.059 | 29% | 0.291 | C | S | . | . | trans | -82.8 | 142.9 | 173.3 | -73.6 | 164.7 | 80.4 | 0 | 0 | 111.2 | S59 T62 W77 D79 F103 K107 | S59-M65 WeakPolarHBondContact OG-CE 3.47Å; T62-M65 HydrophobicContact CG2-SD 4.31Å; T62-M65 PolarHBondContact N-SD 2.86Å; T62-M65 WeakPolarHBondContact O-CB 3.49Å; T62-M65 PolarHBondContact O-N 2.79Å; T62-M65 WeakPolarHBondContact OG1-CG 3.33Å; T62-M65 PolarHBondContact OG1-SD 3.39Å; T62-M65 VanDerWaalsContact OG1-SD 3.4Å; M65-W77 HydrophobicContact CE-CG 4.47Å; M65-D79 HydrophobicContact CE-CB 4.32Å; M65-F103 HydrophobicContact CB-CE1 4.16Å; M65-F103 HydrophobicContact CB-CZ 4.03Å; M65-K107 WeakPolarHBondContact O-CD 3.42Å | ||
| 66 | T | 97.2 | Very high | 97 | Very high | 99 Ų | 99 | 52 Ų | 52 | 61% | 0.607 | 28% | 0.28 | S | S | * | . | trans | -126.8 | 131.8 | 178.8 | -60 | 0 | 0 | 0 | 0 | 109.5 | W77 | T66-W77 WeakPolarHBondContact O-CB 3.43Š| ||
| 67 | F | 98.4 | Very high | 97 | Very high | 24 Ų | 24 | 51.5 Ų | 51.5 | 11% | 0.105 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.3 | 117.3 | 167.6 | -176.5 | -93.2 | 0 | 0 | 0 | 109.7 | K69 Q76 W77 F90 L96 F99 A100 F103 | F67-K69 HydrophobicContact CE1-CG 4.32Å; F67-Q76 CarbonylContact C-O 3.6Å; F67-Q76 WeakPolarHBondContact CA-O 3.49Å; F67-W77 HydrophobicContact CD2-CB 4.42Å; F67-W77 AromaticContact CD2-CE3 3.74Å; F67-W77 HydrophobicContact CD2-CE3 3.74Å; F67-W77 HydrophobicContact CD2-CZ3 4.43Å; F67-W77 AromaticContact CE2-CE3 3.88Å; F67-W77 HydrophobicContact CE2-CE3 3.88Å; F67-W77 HydrophobicContact CE2-CZ3 4.21Å; F67-F90 HydrophobicContact CZ-CE2 4.39Å; F67-L96 HydrophobicContact CE1-CD1 3.79Å; F67-L96 HydrophobicContact CZ-CD1 3.8Å; F67-F99 HydrophobicContact CD2-CD1 4.19Å; F67-F99 AromaticContact CD2-CE1 3.91Å; F67-F99 HydrophobicContact CD2-CE1 3.91Å; F67-F99 HydrophobicContact CE1-CD1 4.25Å; F67-F99 AromaticContact CE2-CD1 3.68Å; F67-F99 HydrophobicContact CE2-CD1 3.68Å; F67-F99 AromaticContact CE2-CE1 3.57Å; F67-F99 HydrophobicContact CE2-CE1 3.57Å; F67-F99 AromaticContact CZ-CD1 3.7Å; F67-F99 HydrophobicContact CZ-CD1 3.7Å; F67-F99 HydrophobicContact CZ-CE1 4.1Å; F67-A100 HydrophobicContact CD1-CB 3.67Å; F67-A100 HydrophobicContact CE1-CB 3.83Å; F67-F103 HydrophobicContact CB-CB 3.98Å; F67-F103 HydrophobicContact CB-CD1 3.62Å; F67-F103 HydrophobicContact CB-CD2 3.72Å; F67-F103 HydrophobicContact CB-CE1 3.97Å; F67-F103 HydrophobicContact CB-CE2 4.04Å; F67-F103 HydrophobicContact CB-CG 3.49Å; F67-F103 VanDerWaalsContact CB-CG 3.49Å; F67-F103 HydrophobicContact CB-CZ 4.16Å; F67-F103 HydrophobicContact CD2-CD2 4.07Å; F67-F103 HydrophobicContact CD2-CE2 4.36Å; F67-F103 HydrophobicContact CG-CB 4.44Å; F67-F103 HydrophobicContact CG-CD2 4.18Å; F67-F103 HydrophobicContact CG-CG 4.23Å |
| 68 | T | 98.3 | Very high | 97 | Very high | 70 Ų | 70 | 54 Ų | 54 | 43% | 0.429 | 30% | 0.298 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.6 | 121.6 | -177.6 | -54.2 | 0 | 0 | 0 | 0 | 109.6 | T70 G75 Q76 | T68-T70 HydrophobicContact CG2-CG2 3.92Å; T68-G75 CarbonylContact O-C 3.57Å; T68-G75 WeakPolarHBondContact O-CA 3.29Å; T68-Q76 PolarHBondContact N-O 3.37Å; T68-Q76 PolarHBondContact O-N 2.94Å |
| 69 | K | 98.4 | Very high | 97 | Very high | 103 Ų | 103 | 50.7 Ų | 50.7 | 45% | 0.448 | 28% | 0.28 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.4 | 123.3 | 167.8 | -57.4 | -178 | -171.5 | 178.4 | 0 | 108.1 | F67 L96 S97 | F67-K69 HydrophobicContact CE1-CG 4.32Å; K69-L96 HydrophobicContact CB-CD2 4.29Å; K69-L96 HydrophobicContact CD-CD2 4.16Å; K69-L96 HydrophobicContact CD-CG 4.26Å; K69-L96 HydrophobicContact CG-CD1 4.32Å; K69-L96 HydrophobicContact CG-CD2 4.13Å; K69-L96 HydrophobicContact CG-CG 4.19Å; K69-S97 PolarHBondContact NZ-OG 2.83Å |
| 70 | T | 96.8 | Very high | 96.8 | Very high | 75 Ų | 75 | 55.9 Ų | 55.9 | 46% | 0.46 | 32% | 0.317 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.7 | -5.7 | -179.3 | 50.9 | 0 | 0 | 0 | 0 | 113.7 | T68 F74 Q76 | T68-T70 HydrophobicContact CG2-CG2 3.92Å; T70-F74 PolarHBondContact N-O 3.07Å; T70-F74 WeakPolarHBondContact OG1-CD1 3.33Å; T70-Q76 HydrophobicContact CG2-CG 4.17Å; T70-Q76 VanDerWaalsContact CG2-OE1 3.31Å; T70-Q76 PolarHBondContact OG1-OE1 2.95Å |
| 71 | S | 96.8 | Very high | 96.6 | Very high | 69 Ų | 69 | 64.6 Ų | 64.6 | 48% | 0.483 | 35% | 0.347 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -151 | 178.3 | 159.3 | 84.9 | 0 | 0 | 0 | 0 | 110.6 | K73 F74 L96 | S71-K73 PolarHBondContact O-N 3.23Å; S71-K73 VanDerWaalsContact O-N 3.08Å; S71-K73 PolarHBondContact OG-N 3.01Å; S71-F74 PolarHBondContact N-O 2.84Å; S71-F74 VanDerWaalsContact N-O 3.1Å; S71-F74 PolarHBondContact O-N 3.16Å; S71-F74 VanDerWaalsContact OG-CB 3.24Å; S71-F74 WeakPolarHBondContact OG-CB 3.4Å; S71-F74 PolarHBondContact OG-N 3.43Å; S71-F74 VanDerWaalsContact OG-N 3.16Å; S71-L96 VanDerWaalsContact O-CD2 3.25Å; S71-L96 WeakPolarHBondContact O-CD2 3.44Å |
| 72 | Q | 95.2 | Very high | 96.4 | Very high | 122 Ų | 122 | 66.6 Ų | 66.6 | 57% | 0.57 | 36% | 0.364 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.3 | -27.9 | 177.1 | -168.9 | -177.6 | 35.5 | 0 | 0 | 113.8 | E93 L96 | Q72-E93 HydrophobicContact CG-CB 3.99Å; Q72-E93 HydrophobicContact CG-CG 4.01Å; Q72-E93 WeakPolarHBondContact CG-OE2 3.43Å; Q72-E93 PolarHBondContact NE2-OE2 2.9Å; Q72-E93 WeakPolarHBondContact O-CA 3.49Å; Q72-L96 WeakPolarHBondContact O-CD2 3.42Å |
| 73 | K | 98.1 | Very high | 96.3 | Very high | 92 Ų | 92 | 70.1 Ų | 70.1 | 40% | 0.4 | 38% | 0.381 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -130 | 8.7 | -176.3 | -58.9 | -171.5 | -176.3 | -169.3 | 0 | 113.7 | S71 F90 S91 | S71-K73 PolarHBondContact O-N 3.23Å; S71-K73 VanDerWaalsContact O-N 3.08Å; S71-K73 PolarHBondContact OG-N 3.01Å; K73-F90 PolarHBondContact O-N 3.03Å; K73-S91 PolarHBondContact NZ-O 3.44Å |
| 74 | F | 98.6 | Very high | 96.4 | Very high | 35 Ų | 35 | 68.5 Ų | 68.5 | 15% | 0.154 | 37% | 0.37 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.3 | 136.6 | -178 | -167.1 | -84.7 | 0 | 0 | 0 | 111.7 | F14 W24 T70 S71 Q76 L88 | F14-F74 HydrophobicContact CB-CE2 4.48Å; F14-F74 HydrophobicContact CB-CZ 4.48Å; F14-F74 AromaticContact CD2-CE2 3.64Å; F14-F74 HydrophobicContact CD2-CE2 3.64Å; F14-F74 HydrophobicContact CD2-CZ 4.42Å; F14-F74 HydrophobicContact CE2-CE2 4.08Å; F14-F74 HydrophobicContact CG-CE2 4.16Å; W24-F74 AromaticContact CD2-CZ 3.99Å; W24-F74 HydrophobicContact CD2-CZ 3.99Å; W24-F74 AromaticContact CE2-CE1 3.91Å; W24-F74 AromaticContact CE2-CZ 3.83Å; W24-F74 HydrophobicContact CE3-CZ 4.22Å; W24-F74 HydrophobicContact CH2-CE1 4.19Å; W24-F74 HydrophobicContact CH2-CZ 4.14Å; W24-F74 AromaticContact CZ2-CE1 3.72Å; W24-F74 HydrophobicContact CZ2-CE1 3.72Å; W24-F74 AromaticContact CZ2-CZ 3.92Å; W24-F74 HydrophobicContact CZ2-CZ 3.92Å; W24-F74 HydrophobicContact CZ3-CZ 4.29Å; T70-F74 PolarHBondContact N-O 3.07Å; T70-F74 WeakPolarHBondContact OG1-CD1 3.33Å; S71-F74 PolarHBondContact N-O 2.84Å; S71-F74 VanDerWaalsContact N-O 3.1Å; S71-F74 PolarHBondContact O-N 3.16Å; S71-F74 VanDerWaalsContact OG-CB 3.24Å; S71-F74 WeakPolarHBondContact OG-CB 3.4Å; S71-F74 PolarHBondContact OG-N 3.43Å; S71-F74 VanDerWaalsContact OG-N 3.16Å; F74-Q76 HydrophobicContact CE1-CB 4.43Å; F74-L88 WeakPolarHBondContact CA-O 3.37Å |
| 75 | G | 98.4 | Very high | 96.6 | Very high | 0 Ų | 0 | 64.1 Ų | 64.1 | 0% | 0 | 35% | 0.348 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.9 | 162 | 172.2 | 0 | 0 | 0 | 0 | 0 | 111.9 | T68 G87 L88 | T68-G75 CarbonylContact O-C 3.57Å; T68-G75 WeakPolarHBondContact O-CA 3.29Å; G75-G87 WeakPolarHBondContact O-CA 3.39Å; G75-L88 PolarHBondContact N-O 3.08Å; G75-L88 PolarHBondContact O-N 2.99Å |
| 76 | Q | 98.3 | Very high | 96.7 | Very high | 48 Ų | 48 | 64.3 Ų | 64.3 | 22% | 0.224 | 35% | 0.348 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.1 | 156.6 | -167.7 | 60.8 | -174.4 | 84.3 | 0 | 0 | 112.6 | W24 F67 T68 T70 F74 V85 Y86 | W24-Q76 HydrophobicContact CH2-CB 3.79Å; W24-Q76 HydrophobicContact CZ2-CB 4.03Å; F67-Q76 CarbonylContact C-O 3.6Å; F67-Q76 WeakPolarHBondContact CA-O 3.49Å; T68-Q76 PolarHBondContact N-O 3.37Å; T68-Q76 PolarHBondContact O-N 2.94Å; T70-Q76 HydrophobicContact CG2-CG 4.17Å; T70-Q76 VanDerWaalsContact CG2-OE1 3.31Å; T70-Q76 PolarHBondContact OG1-OE1 2.95Å; F74-Q76 HydrophobicContact CE1-CB 4.43Å; Q76-V85 HydrophobicContact CB-CG1 4.44Å; Q76-Y86 CarbonylContact C-O 3.59Å; Q76-Y86 WeakPolarHBondContact CA-O 3.47Å; Q76-Y86 VanDerWaalsContact CB-O 3.3Å; Q76-Y86 WeakPolarHBondContact CB-O 3.4Å |
| 77 | W | 98.4 | Very high | 96.7 | Very high | 3 Ų | 3 | 59.6 Ų | 59.6 | 1% | 0.011 | 32% | 0.319 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.3 | 150.5 | 167.4 | 72.3 | 97.6 | 0 | 0 | 0 | 110.9 | I47 I57 S59 M65 T66 F67 V85 Y86 L88 F99 F103 | I47-W77 HydrophobicContact CB-CZ2 4.33Å; I47-W77 HydrophobicContact CD1-CH2 4.12Å; I47-W77 HydrophobicContact CD1-CZ2 3.74Å; I47-W77 HydrophobicContact CG2-CH2 4.13Å; I47-W77 HydrophobicContact CG2-CZ2 4.15Å; I57-W77 HydrophobicContact CD1-CH2 4.16Å; I57-W77 HydrophobicContact CG2-CH2 4.33Å; I57-W77 HydrophobicContact CG2-CZ2 3.92Å; S59-W77 PolarHBondContact OG-NE1 2.9Å; M65-W77 HydrophobicContact CE-CG 4.47Å; T66-W77 WeakPolarHBondContact O-CB 3.43Å; F67-W77 HydrophobicContact CD2-CB 4.42Å; F67-W77 AromaticContact CD2-CE3 3.74Å; F67-W77 HydrophobicContact CD2-CE3 3.74Å; F67-W77 HydrophobicContact CD2-CZ3 4.43Å; F67-W77 AromaticContact CE2-CE3 3.88Å; F67-W77 HydrophobicContact CE2-CE3 3.88Å; F67-W77 HydrophobicContact CE2-CZ3 4.21Å; W77-V85 CarbonylContact O-C 3.58Å; W77-V85 WeakPolarHBondContact O-CA 3.38Å; W77-V85 WeakPolarHBondContact O-CG1 3.34Å; W77-Y86 AromaticContact CE2-CD2 3.68Å; W77-Y86 HydrophobicContact CH2-CG 4.24Å; W77-Y86 AromaticContact CZ2-CD2 3.71Å; W77-Y86 HydrophobicContact CZ2-CD2 3.71Å; W77-Y86 AromaticContact CZ2-CG 3.77Å; W77-Y86 HydrophobicContact CZ2-CG 3.77Å; W77-Y86 PolarHBondContact N-O 3.21Å; W77-Y86 AromaticContact NE1-CD2 3.62Å; W77-Y86 PolarHBondContact O-N 3.34Å; W77-L88 HydrophobicContact CH2-CD1 4.04Å; W77-L88 HydrophobicContact CH2-CG 4.29Å; W77-L88 HydrophobicContact CZ3-CD1 3.65Å; W77-L88 HydrophobicContact CZ3-CG 3.82Å; W77-F99 HydrophobicContact CZ3-CE1 4.23Å; W77-F99 HydrophobicContact CZ3-CZ 4.34Å; W77-F103 HydrophobicContact CB-CE2 4.07Å; W77-F103 HydrophobicContact CB-CZ 4Å; W77-F103 HydrophobicContact CD2-CE2 4.03Å; W77-F103 HydrophobicContact CE3-CE2 4.49Å; W77-F103 AromaticContact CG-CE2 3.84Å; W77-F103 HydrophobicContact CG-CE2 3.84Å; W77-F103 HydrophobicContact CG-CZ 4.08Å |
| 78 | A | 97.3 | Very high | 96.8 | Very high | 52 Ų | 52 | 58.4 Ų | 58.4 | 43% | 0.43 | 31% | 0.314 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.2 | 135.2 | 171.4 | 0 | 0 | 0 | 0 | 0 | 110.2 | V85 | A78-V85 HydrophobicContact CB-CG2 4.15Å |
| 79 | D | 96.6 | Very high | 96.8 | Very high | 8 Ų | 8 | 55.7 Ų | 55.7 | 4% | 0.043 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.7 | 101.3 | 170 | -174.4 | -30.8 | 0 | 0 | 0 | 108.9 | S59 M65 R81 A82 N83 T84 Y86 | S59-D79 VanDerWaalsContact CA-OD2 3.23Å; S59-D79 WeakPolarHBondContact CA-OD2 3.33Å; S59-D79 VanDerWaalsContact CB-OD2 3.23Å; S59-D79 WeakPolarHBondContact CB-OD2 3.46Å; S59-D79 PolarHBondContact OG-OD2 3.34Å; M65-D79 HydrophobicContact CE-CB 4.32Å; D79-R81 PolarHBondContact O-N 3.27Å; D79-R81 WeakPolarHBondContact OD1-CA 3.4Å; D79-R81 VanDerWaalsContact OD1-CB 3.29Å; D79-R81 WeakPolarHBondContact OD1-CB 3.49Å; D79-R81 PolarHBondContact OD1-N 2.89Å; D79-A82 HydrophobicContact CB-CB 4.09Å; D79-A82 CarbonylContact O-C 3.54Å; D79-A82 PolarHBondContact O-N 2.9Å; D79-A82 PolarHBondContact OD1-N 2.85Å; D79-N83 PolarHBondContact O-N 3.45Å; D79-T84 PolarHBondContact N-O 3.17Å; D79-T84 PolarHBondContact O-N 2.94Å; D79-Y86 HydrophobicContact CB-CD2 4.19Å; D79-Y86 HydrophobicContact CB-CE2 3.92Å |
| 80 | S | 93.2 | Very high | 96.8 | Very high | 110 Ų | 110 | 51.4 Ų | 51.4 | 77% | 0.769 | 28% | 0.281 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.5 | -25.3 | 179 | -53.4 | 0 | 0 | 0 | 0 | 113.1 | ||
| 81 | R | 93.3 | Very high | 96.8 | Very high | 207 Ų | 207 | 51.6 Ų | 51.6 | 78% | 0.781 | 29% | 0.286 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77.5 | -35 | 179.3 | -169.6 | -177.8 | -168.8 | -76.3 | -5.3 | 111.4 | D79 | D79-R81 PolarHBondContact O-N 3.27Å; D79-R81 WeakPolarHBondContact OD1-CA 3.4Å; D79-R81 VanDerWaalsContact OD1-CB 3.29Å; D79-R81 WeakPolarHBondContact OD1-CB 3.49Å; D79-R81 PolarHBondContact OD1-N 2.89Å |
| 82 | A | 92.3 | Very high | 96.8 | Very high | 47 Ų | 47 | 50 Ų | 50 | 39% | 0.388 | 27% | 0.274 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -89.2 | -5.1 | 173.5 | 0 | 0 | 0 | 0 | 0 | 113.5 | D79 T84 Y86 | D79-A82 HydrophobicContact CB-CB 4.09Å; D79-A82 CarbonylContact O-C 3.54Å; D79-A82 PolarHBondContact O-N 2.9Å; D79-A82 PolarHBondContact OD1-N 2.85Å; A82-T84 HydrophobicContact CB-CG2 3.81Å; A82-T84 PolarHBondContact O-N 3.04Å; A82-Y86 HydrophobicContact CB-CE2 4.47Å |
| 83 | N | 93.8 | Very high | 97 | Very high | 124 Ų | 124 | 48.8 Ų | 48.8 | 66% | 0.663 | 27% | 0.269 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 51.3 | 37 | -176.5 | -169 | 13.1 | 0 | 0 | 0 | 113.6 | K21 D79 | K21-N83 PolarHBondContact NZ-O 2.92Å; D79-N83 PolarHBondContact O-N 3.45Å |
| 84 | T | 95.3 | Very high | 96.9 | Very high | 13 Ų | 13 | 48.5 Ų | 48.5 | 8% | 0.08 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.1 | 164.5 | -176.3 | -166.2 | 0 | 0 | 0 | 0 | 110.8 | Q15 D79 A82 Y86 | Q15-T84 PolarHBondContact OE1-OG1 3.05Å; D79-T84 PolarHBondContact N-O 3.17Å; D79-T84 PolarHBondContact O-N 2.94Å; A82-T84 HydrophobicContact CB-CG2 3.81Å; A82-T84 PolarHBondContact O-N 3.04Å; T84-Y86 HydrophobicContact CG2-CD1 4.43Å; T84-Y86 HydrophobicContact CG2-CD2 3.97Å; T84-Y86 HydrophobicContact CG2-CE1 3.96Å; T84-Y86 HydrophobicContact CG2-CE2 3.45Å; T84-Y86 VanDerWaalsContact CG2-CE2 3.45Å; T84-Y86 HydrophobicContact CG2-CG 4.44Å; T84-Y86 VanDerWaalsContact CG2-CZ 3.44Å |
| 85 | V | 97.5 | Very high | 96.9 | Very high | 33 Ų | 33 | 50.6 Ų | 50.6 | 20% | 0.2 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.6 | 118.5 | 171.8 | -176.9 | 0 | 0 | 0 | 0 | 106.7 | Q15 I16 W24 Q76 W77 A78 | Q15-V85 VanDerWaalsContact CA-O 3.29Å; Q15-V85 WeakPolarHBondContact CA-O 3.5Å; I16-V85 HydrophobicContact CB-CB 4.14Å; I16-V85 HydrophobicContact CD1-CB 3.75Å; I16-V85 HydrophobicContact CD1-CG1 3.94Å; I16-V85 HydrophobicContact CD1-CG2 4.05Å; I16-V85 HydrophobicContact CG1-CB 3.9Å; I16-V85 HydrophobicContact CG1-CG1 4.31Å; I16-V85 PolarHBondContact N-O 3.33Å; W24-V85 HydrophobicContact CH2-CG1 3.96Å; Q76-V85 HydrophobicContact CB-CG1 4.44Å; W77-V85 CarbonylContact O-C 3.58Å; W77-V85 WeakPolarHBondContact O-CA 3.38Å; W77-V85 WeakPolarHBondContact O-CG1 3.34Å; A78-V85 HydrophobicContact CB-CG2 4.15Å |
| 86 | Y | 98.4 | Very high | 96.9 | Very high | 16 Ų | 16 | 50.7 Ų | 50.7 | 6% | 0.063 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.9 | 143 | 177.6 | -65.1 | -75.9 | 0 | 0 | 0 | 110 | Q15 I57 Q76 W77 D79 A82 T84 | Q15-Y86 HydrophobicContact CG-CD1 3.59Å; Q15-Y86 HydrophobicContact CG-CE1 3.86Å; I57-Y86 HydrophobicContact CB-CE1 4.34Å; I57-Y86 HydrophobicContact CG1-CD1 3.97Å; I57-Y86 HydrophobicContact CG1-CE1 4.08Å; I57-Y86 HydrophobicContact CG2-CD1 4.32Å; I57-Y86 HydrophobicContact CG2-CE1 4.2Å; I57-Y86 HydrophobicContact CG2-CE2 4.44Å; Q76-Y86 CarbonylContact C-O 3.59Å; Q76-Y86 WeakPolarHBondContact CA-O 3.47Å; Q76-Y86 VanDerWaalsContact CB-O 3.3Å; Q76-Y86 WeakPolarHBondContact CB-O 3.4Å; W77-Y86 AromaticContact CE2-CD2 3.68Å; W77-Y86 HydrophobicContact CH2-CG 4.24Å; W77-Y86 AromaticContact CZ2-CD2 3.71Å; W77-Y86 HydrophobicContact CZ2-CD2 3.71Å; W77-Y86 AromaticContact CZ2-CG 3.77Å; W77-Y86 HydrophobicContact CZ2-CG 3.77Å; W77-Y86 PolarHBondContact N-O 3.21Å; W77-Y86 AromaticContact NE1-CD2 3.62Å; W77-Y86 PolarHBondContact O-N 3.34Å; D79-Y86 HydrophobicContact CB-CD2 4.19Å; D79-Y86 HydrophobicContact CB-CE2 3.92Å; A82-Y86 HydrophobicContact CB-CE2 4.47Å; T84-Y86 HydrophobicContact CG2-CD1 4.43Å; T84-Y86 HydrophobicContact CG2-CD2 3.97Å; T84-Y86 HydrophobicContact CG2-CE1 3.96Å; T84-Y86 HydrophobicContact CG2-CE2 3.45Å; T84-Y86 VanDerWaalsContact CG2-CE2 3.45Å; T84-Y86 HydrophobicContact CG2-CG 4.44Å; T84-Y86 VanDerWaalsContact CG2-CZ 3.44Å |
| 87 | G | 98.3 | Very high | 96.9 | Very high | 0 Ų | 0 | 49.7 Ų | 49.7 | 0% | 0 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.9 | 142.7 | 175 | 0 | 0 | 0 | 0 | 0 | 110.7 | F14 G75 | F14-G87 PolarHBondContact N-O 3.03Å; F14-G87 PolarHBondContact O-N 3.37Å; G75-G87 WeakPolarHBondContact O-CA 3.39Å |
| 88 | L | 98.7 | Very high | 96.9 | Very high | 0 Ų | 0 | 54 Ų | 54 | 0% | 0 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.6 | 122.2 | -178.3 | -66.2 | 179.7 | 0 | 0 | 0 | 110.8 | A11 H12 V13 V34 I57 F74 G75 W77 F90 F99 | A11-L88 HydrophobicContact CB-CB 4.12Å; A11-L88 HydrophobicContact CB-CD2 4.09Å; H12-L88 WeakPolarHBondContact O-CA 3.39Å; V13-L88 HydrophobicContact CB-CD2 4.39Å; V13-L88 HydrophobicContact CG2-CD2 3.75Å; V34-L88 HydrophobicContact CG1-CD1 4.11Å; V34-L88 HydrophobicContact CG2-CD2 3.95Å; I57-L88 HydrophobicContact CD1-CD2 3.94Å; F74-L88 WeakPolarHBondContact CA-O 3.37Å; G75-L88 PolarHBondContact N-O 3.08Å; G75-L88 PolarHBondContact O-N 2.99Å; W77-L88 HydrophobicContact CH2-CD1 4.04Å; W77-L88 HydrophobicContact CH2-CG 4.29Å; W77-L88 HydrophobicContact CZ3-CD1 3.65Å; W77-L88 HydrophobicContact CZ3-CG 3.82Å; L88-F90 HydrophobicContact CB-CD2 4.3Å; L88-F90 HydrophobicContact CB-CE2 3.49Å; L88-F90 VanDerWaalsContact CB-CE2 3.49Å; L88-F90 HydrophobicContact CB-CZ 3.63Å; L88-F90 HydrophobicContact CD1-CE2 4.39Å; L88-F90 HydrophobicContact CD1-CZ 3.73Å; L88-F90 HydrophobicContact CG-CZ 4.34Å; L88-F99 HydrophobicContact CD1-CD1 4.2Å; L88-F99 HydrophobicContact CD1-CD2 4.43Å; L88-F99 HydrophobicContact CD1-CE1 3.62Å; L88-F99 HydrophobicContact CD1-CE2 3.88Å; L88-F99 HydrophobicContact CD1-CZ 3.43Å; L88-F99 VanDerWaalsContact CD1-CZ 3.43Å |
| 89 | G | 98.4 | Very high | 97 | Very high | 13 Ų | 13 | 51.6 Ų | 51.6 | 13% | 0.134 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.7 | 113.2 | 171.4 | 0 | 0 | 0 | 0 | 0 | 111.6 | A11 H12 | A11-G89 CarbonylContact C-O 3.6Å; A11-G89 WeakPolarHBondContact CA-O 3.35Å; H12-G89 PolarHBondContact N-O 3.45Å; H12-G89 PolarHBondContact O-N 2.95Å |
| 90 | F | 98.6 | Very high | 97.1 | Very high | 12 Ų | 12 | 52.1 Ų | 52.1 | 5% | 0.053 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.5 | 160.5 | -177 | -60.8 | -88.8 | 0 | 0 | 0 | 112.4 | T9 A11 F67 K73 L88 H95 L96 F99 | T9-F90 HydrophobicContact CG2-CE1 3.89Å; A11-F90 HydrophobicContact CB-CD1 3.89Å; A11-F90 HydrophobicContact CB-CE1 3.87Å; A11-F90 HydrophobicContact CB-CG 4.41Å; A11-F90 HydrophobicContact CB-CZ 4.38Å; F67-F90 HydrophobicContact CZ-CE2 4.39Å; K73-F90 PolarHBondContact O-N 3.03Å; L88-F90 HydrophobicContact CB-CD2 4.3Å; L88-F90 HydrophobicContact CB-CE2 3.49Å; L88-F90 VanDerWaalsContact CB-CE2 3.49Å; L88-F90 HydrophobicContact CB-CZ 3.63Å; L88-F90 HydrophobicContact CD1-CE2 4.39Å; L88-F90 HydrophobicContact CD1-CZ 3.73Å; L88-F90 HydrophobicContact CG-CZ 4.34Å; F90-H95 HydrophobicContact CB-CB 4.07Å; F90-H95 HydrophobicContact CD1-CB 3.94Å; F90-H95 HydrophobicContact CG-CB 4.3Å; F90-L96 HydrophobicContact CB-CB 4.45Å; F90-L96 HydrophobicContact CD2-CB 3.76Å; F90-L96 HydrophobicContact CD2-CD1 3.66Å; F90-L96 HydrophobicContact CD2-CG 4.31Å; F90-L96 HydrophobicContact CE2-CB 4.29Å; F90-L96 HydrophobicContact CE2-CD1 3.53Å; F90-L96 HydrophobicContact CG-CB 4.21Å; F90-F99 HydrophobicContact CE1-CB 3.87Å; F90-F99 HydrophobicContact CE1-CD2 4.23Å; F90-F99 HydrophobicContact CE1-CG 4.04Å; F90-F99 HydrophobicContact CZ-CB 3.63Å; F90-F99 AromaticContact CZ-CD1 3.88Å; F90-F99 HydrophobicContact CZ-CD1 3.88Å; F90-F99 HydrophobicContact CZ-CD2 4.09Å; F90-F99 AromaticContact CZ-CG 3.58Å; F90-F99 HydrophobicContact CZ-CG 3.58Å |
| 91 | S | 97.8 | Very high | 97.3 | Very high | 79 Ų | 79 | 51.4 Ų | 51.4 | 55% | 0.552 | 28% | 0.276 | S | S | * | . | S | Bend | trans | -72.9 | -31.3 | 176.2 | 52.4 | 0 | 0 | 0 | 0 | 113.6 | K73 H95 | K73-S91 PolarHBondContact NZ-O 3.44Å; S91-H95 PolarHBondContact OG-ND1 3.35Å |
| 92 | S | 97.4 | Very high | 97.5 | Very high | 35 Ų | 35 | 43.5 Ų | 43.5 | 25% | 0.245 | 25% | 0.247 | C | C | . | . | S | Bend | trans | -138.1 | 157.9 | -177.5 | 71.5 | 0 | 0 | 0 | 0 | 111.7 | S94 H95 L96 | S92-S94 VanDerWaalsContact C-N 3.29Å; S92-S94 PolarHBondContact O-N 2.95Å; S92-H95 PolarHBondContact O-N 2.82Å; S92-H95 VanDerWaalsContact OG-CG 3.27Å; S92-H95 PolarHBondContact OG-N 3.05Å; S92-H95 PolarHBondContact OG-ND1 3.04Å; S92-L96 PolarHBondContact O-N 3.5Å |
| 93 | E | 97.8 | Very high | 97.8 | Very high | 98 Ų | 98 | 41.5 Ų | 41.5 | 46% | 0.458 | 23% | 0.23 | S | C | . | . | H | α-helix | trans | -63.3 | -36.2 | 173.1 | -175.4 | 173.1 | 173 | 0 | 0 | 112 | Q72 H95 L96 S97 | Q72-E93 HydrophobicContact CG-CB 3.99Å; Q72-E93 HydrophobicContact CG-CG 4.01Å; Q72-E93 WeakPolarHBondContact CG-OE2 3.43Å; Q72-E93 PolarHBondContact NE2-OE2 2.9Å; Q72-E93 WeakPolarHBondContact O-CA 3.49Å; E93-H95 VanDerWaalsContact C-N 3.33Å; E93-H95 PolarHBondContact O-N 2.84Å; E93-L96 PolarHBondContact O-N 2.96Å; E93-S97 PolarHBondContact O-N 3.49Å; E93-S97 PolarHBondContact O-OG 3.46Å |
| 94 | S | 97.6 | Very high | 98 | Very high | 85 Ų | 85 | 38 Ų | 38 | 59% | 0.594 | 22% | 0.218 | S | C | * | . | H | α-helix | trans | -57.3 | -44.2 | 174.5 | 176 | 0 | 0 | 0 | 0 | 111.8 | S92 S97 K98 | S92-S94 VanDerWaalsContact C-N 3.29Å; S92-S94 PolarHBondContact O-N 2.95Å; S94-S97 PolarHBondContact O-N 3.44Å; S94-K98 WeakPolarHBondContact O-CB 3.46Å; S94-K98 PolarHBondContact O-N 3.31Å |
| 95 | H | 98.2 | Very high | 98.1 | Very high | 79 Ų | 79 | 41.8 Ų | 41.8 | 37% | 0.366 | 24% | 0.235 | S | C | . | . | H | α-helix | trans | -65.9 | -38.9 | 176.6 | -67.3 | 152.8 | 0 | 0 | 0 | 112.9 | F90 S91 S92 E93 F99 | F90-H95 HydrophobicContact CB-CB 4.07Å; F90-H95 HydrophobicContact CD1-CB 3.94Å; F90-H95 HydrophobicContact CG-CB 4.3Å; S91-H95 PolarHBondContact OG-ND1 3.35Å; S92-H95 PolarHBondContact O-N 2.82Å; S92-H95 VanDerWaalsContact OG-CG 3.27Å; S92-H95 PolarHBondContact OG-N 3.05Å; S92-H95 PolarHBondContact OG-ND1 3.04Å; E93-H95 VanDerWaalsContact C-N 3.33Å; E93-H95 PolarHBondContact O-N 2.84Å; H95-F99 WeakPolarHBondContact O-CB 3.4Å; H95-F99 PolarHBondContact O-N 3.33Å |
| 96 | L | 98.5 | Very high | 98.1 | Very high | 2 Ų | 2 | 40.5 Ų | 40.5 | 1% | 0.01 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -62.4 | -47.6 | 173.6 | 172.7 | 67 | 0 | 0 | 0 | 111.3 | F67 K69 S71 Q72 F90 S92 E93 F99 A100 | F67-L96 HydrophobicContact CE1-CD1 3.79Å; F67-L96 HydrophobicContact CZ-CD1 3.8Å; K69-L96 HydrophobicContact CB-CD2 4.29Å; K69-L96 HydrophobicContact CD-CD2 4.16Å; K69-L96 HydrophobicContact CD-CG 4.26Å; K69-L96 HydrophobicContact CG-CD1 4.32Å; K69-L96 HydrophobicContact CG-CD2 4.13Å; K69-L96 HydrophobicContact CG-CG 4.19Å; S71-L96 VanDerWaalsContact O-CD2 3.25Å; S71-L96 WeakPolarHBondContact O-CD2 3.44Å; Q72-L96 WeakPolarHBondContact O-CD2 3.42Å; F90-L96 HydrophobicContact CB-CB 4.45Å; F90-L96 HydrophobicContact CD2-CB 3.76Å; F90-L96 HydrophobicContact CD2-CD1 3.66Å; F90-L96 HydrophobicContact CD2-CG 4.31Å; F90-L96 HydrophobicContact CE2-CB 4.29Å; F90-L96 HydrophobicContact CE2-CD1 3.53Å; F90-L96 HydrophobicContact CG-CB 4.21Å; S92-L96 PolarHBondContact O-N 3.5Å; E93-L96 PolarHBondContact O-N 2.96Å; L96-F99 PolarHBondContact O-N 3.4Å; L96-A100 WeakPolarHBondContact O-CB 3.48Å; L96-A100 PolarHBondContact O-N 3.36Å |
| 97 | S | 98.1 | Very high | 98 | Very high | 27 Ų | 27 | 42.4 Ų | 42.4 | 19% | 0.189 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -64.6 | -44.3 | -179.9 | -72 | 0 | 0 | 0 | 0 | 111.8 | K69 E93 S94 F99 A100 E101 | K69-S97 PolarHBondContact NZ-OG 2.83Å; E93-S97 PolarHBondContact O-N 3.49Å; E93-S97 PolarHBondContact O-OG 3.46Å; S94-S97 PolarHBondContact O-N 3.44Å; S97-F99 VanDerWaalsContact C-N 3.33Å; S97-F99 PolarHBondContact O-N 3.02Å; S97-A100 WeakPolarHBondContact O-CB 3.32Å; S97-A100 PolarHBondContact O-N 3.27Å; S97-A100 VanDerWaalsContact O-N 3.13Å; S97-E101 WeakPolarHBondContact O-CG 3.42Å; S97-E101 PolarHBondContact O-N 3.07Å |
| 98 | K | 98.3 | Very high | 97.9 | Very high | 95 Ų | 95 | 45.8 Ų | 45.8 | 41% | 0.413 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -63.4 | -36.9 | 176.1 | -159.5 | 74.8 | -155.1 | 161.4 | 0 | 112.8 | F7 S94 E101 K102 | F7-K98 HydrophobicContact CE2-CG 4.08Å; F7-K98 HydrophobicContact CZ-CG 4.11Å; S94-K98 WeakPolarHBondContact O-CB 3.46Å; S94-K98 PolarHBondContact O-N 3.31Å; K98-E101 WeakPolarHBondContact CD-OE2 3.37Å; K98-E101 WeakPolarHBondContact CE-OE2 3.38Å; K98-E101 IonicContact NZ-OE2 3.96Å; K98-E101 PolarHBondContact NZ-OE2 3.19Å; K98-K102 PolarHBondContact O-N 2.89Å; K98-K102 VanDerWaalsContact O-N 3.08Å |
| 99 | F | 98.5 | Very high | 97.8 | Very high | 0 Ų | 0 | 46.9 Ų | 46.9 | 0% | 0 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -66.5 | -38.8 | 174.1 | -172.8 | -89.8 | 0 | 0 | 0 | 112.1 | F7 T9 V34 Y36 I47 F67 W77 L88 F90 H95 L96 S97 K102 F103 | F7-F99 HydrophobicContact CE1-CD2 4.38Å; T9-F99 HydrophobicContact CG2-CD2 3.72Å; T9-F99 HydrophobicContact CG2-CE2 4.35Å; V34-F99 HydrophobicContact CG1-CE2 3.95Å; V34-F99 HydrophobicContact CG1-CZ 4.32Å; Y36-F99 HydrophobicContact CD2-CE2 4.4Å; Y36-F99 AromaticContact CE2-CD2 3.74Å; Y36-F99 HydrophobicContact CE2-CD2 3.74Å; Y36-F99 AromaticContact CE2-CE2 3.44Å; Y36-F99 HydrophobicContact CE2-CE2 3.44Å; Y36-F99 VanDerWaalsContact CE2-CE2 3.44Å; Y36-F99 AromaticContact CE2-CZ 3.97Å; Y36-F99 HydrophobicContact CE2-CZ 3.97Å; Y36-F99 AromaticContact CZ-CE2 3.75Å; Y36-F99 AromaticContact CZ-CZ 3.76Å; Y36-F99 VanDerWaalsContact OH-CE1 3.31Å; Y36-F99 WeakPolarHBondContact OH-CE1 3.47Å; Y36-F99 VanDerWaalsContact OH-CZ 3.23Å; Y36-F99 WeakPolarHBondContact OH-CZ 3.45Å; Y36-F99 PolarHBondContact OH-O 2.69Å; I47-F99 HydrophobicContact CD1-CZ 4.22Å; I47-F99 HydrophobicContact CG2-CZ 4.36Å; F67-F99 HydrophobicContact CD2-CD1 4.19Å; F67-F99 AromaticContact CD2-CE1 3.91Å; F67-F99 HydrophobicContact CD2-CE1 3.91Å; F67-F99 HydrophobicContact CE1-CD1 4.25Å; F67-F99 AromaticContact CE2-CD1 3.68Å; F67-F99 HydrophobicContact CE2-CD1 3.68Å; F67-F99 AromaticContact CE2-CE1 3.57Å; F67-F99 HydrophobicContact CE2-CE1 3.57Å; F67-F99 AromaticContact CZ-CD1 3.7Å; F67-F99 HydrophobicContact CZ-CD1 3.7Å; F67-F99 HydrophobicContact CZ-CE1 4.1Å; W77-F99 HydrophobicContact CZ3-CE1 4.23Å; W77-F99 HydrophobicContact CZ3-CZ 4.34Å; L88-F99 HydrophobicContact CD1-CD1 4.2Å; L88-F99 HydrophobicContact CD1-CD2 4.43Å; L88-F99 HydrophobicContact CD1-CE1 3.62Å; L88-F99 HydrophobicContact CD1-CE2 3.88Å; L88-F99 HydrophobicContact CD1-CZ 3.43Å; L88-F99 VanDerWaalsContact CD1-CZ 3.43Å; F90-F99 HydrophobicContact CE1-CB 3.87Å; F90-F99 HydrophobicContact CE1-CD2 4.23Å; F90-F99 HydrophobicContact CE1-CG 4.04Å; F90-F99 HydrophobicContact CZ-CB 3.63Å; F90-F99 AromaticContact CZ-CD1 3.88Å; F90-F99 HydrophobicContact CZ-CD1 3.88Å; F90-F99 HydrophobicContact CZ-CD2 4.09Å; F90-F99 AromaticContact CZ-CG 3.58Å; F90-F99 HydrophobicContact CZ-CG 3.58Å; H95-F99 WeakPolarHBondContact O-CB 3.4Å; H95-F99 PolarHBondContact O-N 3.33Å; L96-F99 PolarHBondContact O-N 3.4Å; S97-F99 VanDerWaalsContact C-N 3.33Å; S97-F99 PolarHBondContact O-N 3.02Å; F99-K102 PolarHBondContact O-N 3.03Å; F99-F103 HydrophobicContact CE1-CD2 4.31Å; F99-F103 PolarHBondContact O-N 3Å |
| 100 | A | 98.4 | Very high | 97.5 | Very high | 19 Ų | 19 | 46.7 Ų | 46.7 | 16% | 0.157 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -67.7 | -41.3 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | F67 L96 S97 F103 A104 | F67-A100 HydrophobicContact CD1-CB 3.67Å; F67-A100 HydrophobicContact CE1-CB 3.83Å; L96-A100 WeakPolarHBondContact O-CB 3.48Å; L96-A100 PolarHBondContact O-N 3.36Å; S97-A100 WeakPolarHBondContact O-CB 3.32Å; S97-A100 PolarHBondContact O-N 3.27Å; S97-A100 VanDerWaalsContact O-N 3.13Å; A100-F103 WeakPolarHBondContact O-CB 3.3Å; A100-F103 PolarHBondContact O-N 3.23Å; A100-A104 PolarHBondContact O-N 3.3Å |
| 101 | E | 98.1 | Very high | 97.3 | Very high | 95 Ų | 95 | 50.3 Ų | 50.3 | 44% | 0.444 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -56.4 | -50.8 | 171.1 | -72.2 | 162 | -139.5 | 0 | 0 | 110.8 | S97 K98 F103 A104 E105 | S97-E101 WeakPolarHBondContact O-CG 3.42Å; S97-E101 PolarHBondContact O-N 3.07Å; K98-E101 WeakPolarHBondContact CD-OE2 3.37Å; K98-E101 WeakPolarHBondContact CE-OE2 3.38Å; K98-E101 IonicContact NZ-OE2 3.96Å; K98-E101 PolarHBondContact NZ-OE2 3.19Å; E101-F103 VanDerWaalsContact C-N 3.3Å; E101-F103 PolarHBondContact O-N 2.91Å; E101-A104 PolarHBondContact O-N 2.9Å; E101-A104 VanDerWaalsContact O-N 3.13Å; E101-E105 PolarHBondContact O-N 3.05Å |
| 102 | K | 98.1 | Very high | 97.1 | Very high | 42 Ų | 42 | 51.1 Ų | 51.1 | 18% | 0.183 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -63.6 | -33.2 | 177.3 | -74 | -56.2 | -171.9 | -170.6 | 0 | 112.9 | F7 Y36 K98 F99 E105 F106 | F7-K102 HydrophobicContact CB-CG 4.48Å; F7-K102 HydrophobicContact CD1-CG 4.32Å; F7-K102 HydrophobicContact CD2-CG 3.91Å; F7-K102 HydrophobicContact CE2-CG 4.16Å; F7-K102 HydrophobicContact CG-CG 3.98Å; F7-K102 HydrophobicContact CZ-CG 4.45Å; Y36-K102 HydrophobicContact CD2-CB 4.43Å; Y36-K102 HydrophobicContact CE2-CB 3.93Å; K98-K102 PolarHBondContact O-N 2.89Å; K98-K102 VanDerWaalsContact O-N 3.08Å; F99-K102 PolarHBondContact O-N 3.03Å; K102-E105 VanDerWaalsContact CD-OE2 3.29Å; K102-E105 WeakPolarHBondContact CD-OE2 3.37Å; K102-E105 WeakPolarHBondContact CE-OE2 3.36Å; K102-E105 IonicContact NZ-OE1 3.75Å; K102-E105 PolarHBondContact NZ-OE1 3.19Å; K102-E105 IonicContact NZ-OE2 3.71Å; K102-E105 PolarHBondContact NZ-OE2 2.76Å; K102-E105 PolarHBondContact O-N 2.81Å; K102-F106 HydrophobicContact CB-CD2 4.18Å; K102-F106 HydrophobicContact CB-CE2 3.94Å; K102-F106 HydrophobicContact CD-CE2 3.95Å; K102-F106 HydrophobicContact CD-CZ 4.22Å; K102-F106 HydrophobicContact CG-CE2 4.33Å; K102-F106 WeakPolarHBondContact O-CB 3.48Å; K102-F106 WeakPolarHBondContact O-CD2 3.35Å; K102-F106 WeakPolarHBondContact O-CG 3.41Å; K102-F106 PolarHBondContact O-N 3.41Å |
| 103 | F | 98.4 | Very high | 96.7 | Very high | 4 Ų | 4 | 50 Ų | 50 | 2% | 0.018 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -61.6 | -44.6 | 172.8 | -162 | -77.2 | 0 | 0 | 0 | 111.3 | Y36 I47 M65 F67 W77 F99 A100 E101 K107 | Y36-F103 WeakPolarHBondContact OH-CA 3.39Å; Y36-F103 WeakPolarHBondContact OH-CB 3.45Å; Y36-F103 WeakPolarHBondContact OH-CD2 3.43Å; Y36-F103 PolarHBondContact OH-N 2.97Å; I47-F103 HydrophobicContact CD1-CD2 3.79Å; I47-F103 HydrophobicContact CD1-CE2 3.58Å; M65-F103 HydrophobicContact CB-CE1 4.16Å; M65-F103 HydrophobicContact CB-CZ 4.03Å; F67-F103 HydrophobicContact CB-CB 3.98Å; F67-F103 HydrophobicContact CB-CD1 3.62Å; F67-F103 HydrophobicContact CB-CD2 3.72Å; F67-F103 HydrophobicContact CB-CE1 3.97Å; F67-F103 HydrophobicContact CB-CE2 4.04Å; F67-F103 HydrophobicContact CB-CG 3.49Å; F67-F103 VanDerWaalsContact CB-CG 3.49Å; F67-F103 HydrophobicContact CB-CZ 4.16Å; F67-F103 HydrophobicContact CD2-CD2 4.07Å; F67-F103 HydrophobicContact CD2-CE2 4.36Å; F67-F103 HydrophobicContact CG-CB 4.44Å; F67-F103 HydrophobicContact CG-CD2 4.18Å; F67-F103 HydrophobicContact CG-CG 4.23Å; W77-F103 HydrophobicContact CB-CE2 4.07Å; W77-F103 HydrophobicContact CB-CZ 4Å; W77-F103 HydrophobicContact CD2-CE2 4.03Å; W77-F103 HydrophobicContact CE3-CE2 4.49Å; W77-F103 AromaticContact CG-CE2 3.84Å; W77-F103 HydrophobicContact CG-CE2 3.84Å; W77-F103 HydrophobicContact CG-CZ 4.08Å; F99-F103 HydrophobicContact CE1-CD2 4.31Å; F99-F103 PolarHBondContact O-N 3Å; A100-F103 WeakPolarHBondContact O-CB 3.3Å; A100-F103 PolarHBondContact O-N 3.23Å; E101-F103 VanDerWaalsContact C-N 3.3Å; E101-F103 PolarHBondContact O-N 2.91Å; F103-K107 WeakPolarHBondContact O-CB 3.38Å; F103-K107 PolarHBondContact O-N 3.26Å |
| 104 | A | 97.9 | Very high | 96.3 | Very high | 51 Ų | 51 | 51.8 Ų | 51.8 | 42% | 0.421 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -65.1 | -45.6 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | A100 E101 K107 E108 | A100-A104 PolarHBondContact O-N 3.3Å; E101-A104 PolarHBondContact O-N 2.9Å; E101-A104 VanDerWaalsContact O-N 3.13Å; A104-K107 PolarHBondContact O-N 3.02Å; A104-E108 PolarHBondContact O-N 2.74Å; A104-E108 VanDerWaalsContact O-N 3.1Å |
| 105 | E | 97.5 | Very high | 95.8 | Very high | 92 Ų | 92 | 51.9 Ų | 51.9 | 43% | 0.43 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -55.5 | -52.2 | 175.7 | -176.1 | -175.7 | 126 | 0 | 0 | 111.8 | E101 K102 K107 E108 A109 | E101-E105 PolarHBondContact O-N 3.05Å; K102-E105 VanDerWaalsContact CD-OE2 3.29Å; K102-E105 WeakPolarHBondContact CD-OE2 3.37Å; K102-E105 WeakPolarHBondContact CE-OE2 3.36Å; K102-E105 IonicContact NZ-OE1 3.75Å; K102-E105 PolarHBondContact NZ-OE1 3.19Å; K102-E105 IonicContact NZ-OE2 3.71Å; K102-E105 PolarHBondContact NZ-OE2 2.76Å; K102-E105 PolarHBondContact O-N 2.81Å; E105-K107 VanDerWaalsContact C-N 3.32Å; E105-K107 PolarHBondContact O-N 3.02Å; E105-E108 PolarHBondContact O-N 3.32Å; E105-A109 PolarHBondContact O-N 2.87Å |
| 106 | F | 96.8 | Very high | 95.1 | Very high | 7 Ų | 7 | 55.5 Ų | 55.5 | 3% | 0.031 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -74.4 | -20.2 | -179.2 | -62.4 | -51.6 | 0 | 0 | 0 | 113.7 | I6 F7 Y36 Y45 I61 K102 A110 | I6-F106 HydrophobicContact CB-CE1 4.32Å; I6-F106 HydrophobicContact CB-CZ 3.92Å; I6-F106 HydrophobicContact CD1-CD1 4.32Å; I6-F106 HydrophobicContact CD1-CE1 3.72Å; I6-F106 HydrophobicContact CD1-CZ 4.06Å; I6-F106 HydrophobicContact CG2-CE1 3.93Å; I6-F106 HydrophobicContact CG2-CZ 3.72Å; F7-F106 HydrophobicContact CB-CE2 4.3Å; Y36-F106 VanDerWaalsContact CB-CE2 3.49Å; Y36-F106 HydrophobicContact CD1-CB 4.28Å; Y36-F106 AromaticContact CD1-CD2 3.23Å; Y36-F106 HydrophobicContact CD1-CD2 3.23Å; Y36-F106 AromaticContact CD1-CE2 3.83Å; Y36-F106 HydrophobicContact CD1-CE2 3.83Å; Y36-F106 HydrophobicContact CD1-CG 4.04Å; Y36-F106 AromaticContact CD2-CD2 3.95Å; Y36-F106 HydrophobicContact CD2-CD2 3.95Å; Y36-F106 AromaticContact CD2-CE2 3.77Å; Y36-F106 HydrophobicContact CD2-CE2 3.77Å; Y36-F106 HydrophobicContact CE1-CB 4.48Å; Y36-F106 AromaticContact CE1-CD2 3.68Å; Y36-F106 HydrophobicContact CE1-CD2 3.68Å; Y36-F106 HydrophobicContact CE1-CE2 4.46Å; Y36-F106 HydrophobicContact CE2-CD2 4.33Å; Y36-F106 HydrophobicContact CE2-CE2 4.41Å; Y36-F106 AromaticContact CG-CD2 3.38Å; Y36-F106 HydrophobicContact CG-CD2 3.38Å; Y36-F106 AromaticContact CG-CE2 3.43Å; Y36-F106 HydrophobicContact CG-CE2 3.43Å; Y36-F106 VanDerWaalsContact CG-CE2 3.43Å; Y36-F106 HydrophobicContact CG-CG 4.44Å; Y45-F106 HydrophobicContact CD1-CB 4.27Å; Y45-F106 AromaticContact CD1-CD1 3.58Å; Y45-F106 HydrophobicContact CD1-CD1 3.58Å; Y45-F106 HydrophobicContact CD1-CE1 4.28Å; Y45-F106 HydrophobicContact CD1-CG 4.15Å; Y45-F106 AromaticContact CE1-CD1 3.71Å; Y45-F106 HydrophobicContact CE1-CD1 3.71Å; Y45-F106 HydrophobicContact CE1-CE1 4.16Å; Y45-F106 HydrophobicContact CG-CB 4.35Å; Y45-F106 HydrophobicContact CG-CD1 4.43Å; I61-F106 HydrophobicContact CD1-CB 3.81Å; K102-F106 HydrophobicContact CB-CD2 4.18Å; K102-F106 HydrophobicContact CB-CE2 3.94Å; K102-F106 HydrophobicContact CD-CE2 3.95Å; K102-F106 HydrophobicContact CD-CZ 4.22Å; K102-F106 HydrophobicContact CG-CE2 4.33Å; K102-F106 WeakPolarHBondContact O-CB 3.48Å; K102-F106 WeakPolarHBondContact O-CD2 3.35Å; K102-F106 WeakPolarHBondContact O-CG 3.41Å; K102-F106 PolarHBondContact O-N 3.41Å; F106-A110 VanDerWaalsContact O-CB 3.24Å; F106-A110 WeakPolarHBondContact O-CB 3.32Å; F106-A110 PolarHBondContact O-N 2.97Å |
| 107 | K | 96.7 | Very high | 94.1 | Very high | 55 Ų | 55 | 57.7 Ų | 57.7 | 24% | 0.239 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -69.9 | -43.1 | 170.9 | -173.8 | -151.5 | 66.7 | 154.3 | 0 | 111.3 | I61 M65 F103 A104 E105 A110 R111 | I61-K107 HydrophobicContact CG2-CB 4.13Å; M65-K107 WeakPolarHBondContact O-CD 3.42Å; F103-K107 WeakPolarHBondContact O-CB 3.38Å; F103-K107 PolarHBondContact O-N 3.26Å; A104-K107 PolarHBondContact O-N 3.02Å; E105-K107 VanDerWaalsContact C-N 3.32Å; E105-K107 PolarHBondContact O-N 3.02Å; K107-A110 PolarHBondContact O-N 3.11Å; K107-R111 PolarHBondContact O-N 3.35Å; K107-R111 VanDerWaalsContact O-N 3.09Å |
| 108 | E | 96.9 | Very high | 92.7 | Very high | 72 Ų | 72 | 61.2 Ų | 61.2 | 34% | 0.336 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -70.2 | -38.7 | 173.4 | -66.4 | -50.5 | 134 | 0 | 0 | 112.1 | A104 E105 A110 R111 L112 | A104-E108 PolarHBondContact O-N 2.74Å; A104-E108 VanDerWaalsContact O-N 3.1Å; E105-E108 PolarHBondContact O-N 3.32Å; E108-A110 VanDerWaalsContact C-N 3.28Å; E108-A110 PolarHBondContact O-N 3.46Å; E108-R111 WeakPolarHBondContact O-CB 3.37Å; E108-R111 PolarHBondContact O-N 2.99Å; E108-R111 VanDerWaalsContact O-N 3.08Å; E108-R111 IonicContact OE2-CZ 2.65Å; E108-R111 IonicContact OE2-NE 2.68Å; E108-R111 PolarHBondContact OE2-NE 3.08Å; E108-R111 IonicContact OE2-NH2 2.68Å; E108-L112 PolarHBondContact O-N 3.33Å |
| 109 | A | 95.1 | Very high | 91.1 | Very high | 23 Ų | 23 | 62.4 Ų | 62.4 | 19% | 0.19 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -60.8 | -37.3 | 172.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | Y45 E105 L112 A113 | Y45-A109 HydrophobicContact CD2-CB 4.11Å; Y45-A109 HydrophobicContact CE1-CB 4.28Å; Y45-A109 HydrophobicContact CE2-CB 3.48Å; Y45-A109 VanDerWaalsContact CE2-CB 3.48Å; E105-A109 PolarHBondContact O-N 2.87Å; A109-L112 PolarHBondContact O-N 2.81Å; A109-A113 VanDerWaalsContact O-CB 3.3Å; A109-A113 WeakPolarHBondContact O-CB 3.49Å; A109-A113 PolarHBondContact O-N 2.83Å |
| 110 | A | 93.7 | Very high | 89.2 | Confident | 8 Ų | 8 | 70.6 Ų | 70.6 | 7% | 0.066 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -67.6 | -30.9 | 173.2 | 0 | 0 | 0 | 0 | 0 | 113.3 | Y45 I61 F106 K107 E108 K114 | Y45-A110 HydrophobicContact CD2-CB 4.13Å; I61-A110 HydrophobicContact CG2-CB 4.38Å; F106-A110 VanDerWaalsContact O-CB 3.24Å; F106-A110 WeakPolarHBondContact O-CB 3.32Å; F106-A110 PolarHBondContact O-N 2.97Å; K107-A110 PolarHBondContact O-N 3.11Å; E108-A110 VanDerWaalsContact C-N 3.28Å; E108-A110 PolarHBondContact O-N 3.46Å; A110-K114 WeakPolarHBondContact O-CB 3.36Å; A110-K114 PolarHBondContact O-N 2.9Å; A110-K114 VanDerWaalsContact O-N 3.12Å |
| 111 | R | 94.5 | Very high | 87.3 | Confident | 88 Ų | 88 | 74.5 Ų | 74.5 | 33% | 0.332 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -64.2 | -52.6 | 171.8 | -173.6 | -174.4 | 62.9 | 73.8 | 3.6 | 110.6 | P63 K107 E108 A113 K114 E115 | P63-R111 HydrophobicContact CB-CB 4.16Å; P63-R111 HydrophobicContact CB-CG 4.42Å; P63-R111 HydrophobicContact CG-CB 3.91Å; P63-R111 HydrophobicContact CG-CG 4.33Å; K107-R111 PolarHBondContact O-N 3.35Å; K107-R111 VanDerWaalsContact O-N 3.09Å; E108-R111 WeakPolarHBondContact O-CB 3.37Å; E108-R111 PolarHBondContact O-N 2.99Å; E108-R111 VanDerWaalsContact O-N 3.08Å; E108-R111 IonicContact OE2-CZ 2.65Å; E108-R111 IonicContact OE2-NE 2.68Å; E108-R111 PolarHBondContact OE2-NE 3.08Å; E108-R111 IonicContact OE2-NH2 2.68Å; R111-A113 PolarHBondContact O-N 3.13Å; R111-K114 WeakPolarHBondContact O-CB 3.41Å; R111-K114 PolarHBondContact O-N 3.45Å; R111-K114 VanDerWaalsContact O-N 3.15Å; R111-E115 WeakPolarHBondContact CG-OE1 3.43Å; R111-E115 IonicContact CZ-OE1 2.83Å; R111-E115 IonicContact CZ-OE2 2.71Å; R111-E115 IonicContact NH1-OE1 3.43Å; R111-E115 PolarHBondContact NH1-OE1 2.87Å; R111-E115 IonicContact NH1-OE2 3.34Å; R111-E115 PolarHBondContact NH1-OE2 2.97Å; R111-E115 PolarHBondContact O-N 2.68Å |
| 112 | L | 93.1 | Very high | 85 | Confident | 97 Ų | 97 | 75.4 Ų | 75.4 | 51% | 0.508 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -61.1 | -41.4 | 178.3 | -66.8 | 171.6 | 0 | 0 | 0 | 112.5 | E108 A109 K114 E115 K116 | E108-L112 PolarHBondContact O-N 3.33Å; A109-L112 PolarHBondContact O-N 2.81Å; L112-K114 VanDerWaalsContact C-N 3.3Å; L112-K114 PolarHBondContact O-N 3.17Å; L112-E115 PolarHBondContact O-N 2.73Å; L112-K116 WeakPolarHBondContact O-CB 3.36Å; L112-K116 PolarHBondContact O-N 3.37Å |
| 113 | A | 89.4 | Confident | 82.8 | Confident | 10 Ų | 10 | 79.6 Ų | 79.6 | 8% | 0.083 | 39% | 0.394 | C | S | . | . | H | α-helix | trans | -62.1 | -37.8 | 176 | 0 | 0 | 0 | 0 | 0 | 112.2 | N43 Y45 A109 R111 S117 | N43-A113 PolarHBondContact ND2-O 3.33Å; N43-A113 VanDerWaalsContact ND2-O 3.08Å; Y45-A113 HydrophobicContact CE2-CB 4.49Å; A109-A113 VanDerWaalsContact O-CB 3.3Å; A109-A113 WeakPolarHBondContact O-CB 3.49Å; A109-A113 PolarHBondContact O-N 2.83Å; R111-A113 PolarHBondContact O-N 3.13Å; A113-S117 WeakPolarHBondContact O-CB 3.41Å; A113-S117 PolarHBondContact O-N 3.41Å; A113-S117 PolarHBondContact O-OG 3.44Å |
| 114 | K | 87.8 | Confident | 80.4 | Confident | 136 Ų | 136 | 84.4 Ų | 84.4 | 59% | 0.591 | 43% | 0.428 | S | S | * | . | H | α-helix | trans | -69.5 | -46.4 | 176 | -169.4 | -175.8 | 176.8 | -166.3 | 0 | 111.9 | A110 R111 L112 S117 Q118 | A110-K114 WeakPolarHBondContact O-CB 3.36Å; A110-K114 PolarHBondContact O-N 2.9Å; A110-K114 VanDerWaalsContact O-N 3.12Å; R111-K114 WeakPolarHBondContact O-CB 3.41Å; R111-K114 PolarHBondContact O-N 3.45Å; R111-K114 VanDerWaalsContact O-N 3.15Å; L112-K114 VanDerWaalsContact C-N 3.3Å; L112-K114 PolarHBondContact O-N 3.17Å; K114-S117 WeakPolarHBondContact O-CB 3.47Å; K114-S117 PolarHBondContact O-N 3.48Å; K114-S117 VanDerWaalsContact O-N 3.15Å; K114-Q118 PolarHBondContact O-N 2.9Å |
| 115 | E | 88.2 | Confident | 78 | Confident | 88 Ų | 88 | 86 Ų | 86 | 41% | 0.411 | 44% | 0.436 | S | S | . | . | H | α-helix | trans | -58 | -50.4 | 177.2 | -76.2 | 165.1 | -170 | 0 | 0 | 111.3 | R111 L112 S117 Q118 E119 | R111-E115 WeakPolarHBondContact CG-OE1 3.43Å; R111-E115 IonicContact CZ-OE1 2.83Å; R111-E115 IonicContact CZ-OE2 2.71Å; R111-E115 IonicContact NH1-OE1 3.43Å; R111-E115 PolarHBondContact NH1-OE1 2.87Å; R111-E115 IonicContact NH1-OE2 3.34Å; R111-E115 PolarHBondContact NH1-OE2 2.97Å; R111-E115 PolarHBondContact O-N 2.68Å; L112-E115 PolarHBondContact O-N 2.73Å; E115-S117 PolarHBondContact O-N 3.09Å; E115-Q118 PolarHBondContact O-N 3.45Å; E115-E119 PolarHBondContact O-N 3.46Å |
| 116 | K | 83.6 | Confident | 75.1 | Confident | 154 Ų | 154 | 87 Ų | 87 | 67% | 0.67 | 45% | 0.449 | S | S | * | . | H | α-helix | trans | -59.7 | -29.5 | 176.2 | -173.6 | 171.8 | -176 | 171.8 | 0 | 113.7 | L112 K120 | L112-K116 WeakPolarHBondContact O-CB 3.36Å; L112-K116 PolarHBondContact O-N 3.37Å; K116-K120 WeakPolarHBondContact O-CB 3.46Å; K116-K120 PolarHBondContact O-N 3.31Å |
| 117 | S | 76.6 | Confident | 72.5 | Confident | 48 Ų | 48 | 92.9 Ų | 92.9 | 34% | 0.336 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -77.7 | -34.7 | 176.1 | -54.9 | 0 | 0 | 0 | 0 | 112.1 | N43 A113 K114 E115 T121 | N43-S117 PolarHBondContact ND2-OG 3.34Å; A113-S117 WeakPolarHBondContact O-CB 3.41Å; A113-S117 PolarHBondContact O-N 3.41Å; A113-S117 PolarHBondContact O-OG 3.44Å; K114-S117 WeakPolarHBondContact O-CB 3.47Å; K114-S117 PolarHBondContact O-N 3.48Å; K114-S117 VanDerWaalsContact O-N 3.15Å; E115-S117 PolarHBondContact O-N 3.09Å; S117-T121 PolarHBondContact O-N 2.84Å; S117-T121 PolarHBondContact O-OG1 2.71Å |
| 118 | Q | 70.1 | Confident | 69.6 | Low | 102 Ų | 102 | 95.8 Ų | 95.8 | 48% | 0.477 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -72.2 | -46.9 | 176.5 | -176.4 | 171.4 | -20.1 | 0 | 0 | 111.3 | K114 E115 K120 T121 E122 | K114-Q118 PolarHBondContact O-N 2.9Å; E115-Q118 PolarHBondContact O-N 3.45Å; Q118-K120 VanDerWaalsContact C-N 3.32Å; Q118-K120 PolarHBondContact O-N 2.78Å; Q118-T121 WeakPolarHBondContact O-CA 3.35Å; Q118-T121 VanDerWaalsContact O-CB 3.32Å; Q118-T121 WeakPolarHBondContact O-CB 3.15Å; Q118-T121 PolarHBondContact O-N 3.07Å; Q118-E122 HydrophobicContact CG-CG 4.5Å; Q118-E122 VanDerWaalsContact CG-OE1 3.25Å; Q118-E122 WeakPolarHBondContact CG-OE1 3.38Å; Q118-E122 PolarHBondContact NE2-OE1 2.88Å; Q118-E122 PolarHBondContact O-N 2.78Å |
| 119 | E | 62.8 | Low | 67 | Low | 119 Ų | 119 | 101.9 Ų | 101.9 | 56% | 0.556 | 54% | 0.544 | S | S | * | . | H | α-helix | trans | -57.8 | -42.6 | 176.5 | -174.4 | -178.4 | -159 | 0 | 0 | 112 | E115 T121 E122 L123 | E115-E119 PolarHBondContact O-N 3.46Å; E119-T121 PolarHBondContact O-N 2.96Å; E119-E122 PolarHBondContact O-N 3.35Å; E119-L123 HydrophobicContact CG-CD1 3.93Å; E119-L123 HydrophobicContact CG-CG 4.38Å; E119-L123 WeakPolarHBondContact O-CB 3.49Å; E119-L123 WeakPolarHBondContact O-CG 3.43Å; E119-L123 PolarHBondContact O-N 2.92Å |
| 120 | K | 59.1 | Low | 64 | Low | 172 Ų | 172 | 104.5 Ų | 104.5 | 75% | 0.748 | 57% | 0.573 | S | S | * | * | H | α-helix | trans | -62.1 | -21.7 | 173.9 | -171.8 | 175.6 | -179.8 | -176.1 | 0 | 113.4 | K116 Q118 | K116-K120 WeakPolarHBondContact O-CB 3.46Å; K116-K120 PolarHBondContact O-N 3.31Å; Q118-K120 VanDerWaalsContact C-N 3.32Å; Q118-K120 PolarHBondContact O-N 2.78Å |
| 121 | T | 58 | Low | 61 | Low | 102 Ų | 102 | 108 Ų | 108 | 63% | 0.626 | 61% | 0.61 | S | S | * | * | H | α-helix | trans | -88.7 | -39.9 | 177.5 | -50.7 | 0 | 0 | 0 | 0 | 111.1 | S117 Q118 E119 S124 | S117-T121 PolarHBondContact O-N 2.84Å; S117-T121 PolarHBondContact O-OG1 2.71Å; Q118-T121 WeakPolarHBondContact O-CA 3.35Å; Q118-T121 VanDerWaalsContact O-CB 3.32Å; Q118-T121 WeakPolarHBondContact O-CB 3.15Å; Q118-T121 PolarHBondContact O-N 3.07Å; E119-T121 PolarHBondContact O-N 2.96Å; T121-S124 PolarHBondContact O-N 3.49Å |
| 122 | E | 50.4 | Low | 58.1 | Low | 113 Ų | 113 | 108.8 Ų | 108.8 | 53% | 0.528 | 64% | 0.635 | S | S | . | * | H | α-helix | trans | -73.3 | -35.5 | -179.2 | -69 | 175.5 | -167.3 | 0 | 0 | 112.7 | Q118 E119 S124 S125 | Q118-E122 HydrophobicContact CG-CG 4.5Å; Q118-E122 VanDerWaalsContact CG-OE1 3.25Å; Q118-E122 WeakPolarHBondContact CG-OE1 3.38Å; Q118-E122 PolarHBondContact NE2-OE1 2.88Å; Q118-E122 PolarHBondContact O-N 2.78Å; E119-E122 PolarHBondContact O-N 3.35Å; E122-S124 PolarHBondContact O-N 2.88Å; E122-S125 PolarHBondContact O-N 2.9Å; E122-S125 VanDerWaalsContact O-N 3.12Å; E122-S125 PolarHBondContact O-OG 2.77Å |
| 123 | L | 52 | Low | 55.4 | Low | 131 Ų | 131 | 110.8 Ų | 110.8 | 69% | 0.686 | 65% | 0.651 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -68.4 | -10 | 173.7 | -69.1 | 174.5 | 0 | 0 | 0 | 114 | E119 S125 | E119-L123 HydrophobicContact CG-CD1 3.93Å; E119-L123 HydrophobicContact CG-CG 4.38Å; E119-L123 WeakPolarHBondContact O-CB 3.49Å; E119-L123 WeakPolarHBondContact O-CG 3.43Å; E119-L123 PolarHBondContact O-N 2.92Å; L123-S125 VanDerWaalsContact C-N 3.32Å |
| 124 | S | 49 | Very low | 52.9 | Low | 104 Ų | 104 | 119.3 Ų | 119.3 | 73% | 0.727 | 69% | 0.686 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -85.6 | -1.5 | 172.6 | -170.5 | 0 | 0 | 0 | 0 | 113.3 | T121 E122 | T121-S124 PolarHBondContact O-N 3.49Å; E122-S124 PolarHBondContact O-N 2.88Å |
| 125 | S | 47.7 | Very low | 50.4 | Low | 85 Ų | 85 | 124 Ų | 124 | 59% | 0.594 | 70% | 0.701 | S | S | * | * | trans | -116.3 | 61 | -175.7 | 44.4 | 0 | 0 | 0 | 0 | 113.8 | E122 L123 | E122-S125 PolarHBondContact O-N 2.9Å; E122-S125 VanDerWaalsContact O-N 3.12Å; E122-S125 PolarHBondContact O-OG 2.77Å; L123-S125 VanDerWaalsContact C-N 3.32Å | ||
| 126 | T | 35.9 | Very low | 47.7 | Very low | 114 Ų | 114 | 127 Ų | 127 | 70% | 0.699 | 72% | 0.719 | S | S | * | * | trans | -121.5 | 119.9 | 162.2 | 46.3 | 0 | 0 | 0 | 0 | 110.7 | S128 | T126-S128 PolarHBondContact O-N 3.29Š| ||
| 127 | P | 41.1 | Very low | 45.2 | Very low | 129 Ų | 129 | 125.7 Ų | 125.7 | 84% | 0.838 | 72% | 0.724 | S | S | * | * | trans | -82.8 | 94.7 | 178.7 | 31.6 | -32.1 | 0 | 0 | 0 | 110.6 | Q129 | P127-Q129 PolarHBondContact O-N 2.92Š| ||
| 128 | S | 37 | Very low | 43 | Very low | 117 Ų | 117 | 130.5 Ų | 130.5 | 82% | 0.818 | 75% | 0.745 | S | S | * | * | trans | -63.2 | 122.8 | 168.7 | -72.5 | 0 | 0 | 0 | 0 | 110.9 | T126 | T126-S128 PolarHBondContact O-N 3.29Š| ||
| 129 | Q | 41.3 | Very low | 41.2 | Very low | 199 Ų | 199 | 131.7 Ų | 131.7 | 93% | 0.93 | 77% | 0.765 | S | S | * | * | trans | -69.6 | 134.8 | 163 | -71.9 | -158.1 | 10.4 | 0 | 0 | 110.3 | P127 | P127-Q129 PolarHBondContact O-N 2.92Š| ||
| 130 | G | 31.9 | Very low | 39.6 | Very low | 78 Ų | 78 | 131.1 Ų | 131.1 | 80% | 0.804 | 77% | 0.769 | S | S | * | * | trans | 156.3 | 121.4 | 165.7 | 0 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 131 | G | 31.3 | Very low | 38.4 | Very low | 83 Ų | 83 | 130.6 Ų | 130.6 | 86% | 0.856 | 77% | 0.774 | S | S | * | * | trans | 94.8 | 92.6 | 160.2 | 0 | 0 | 0 | 0 | 0 | 116.6 | ||||
| 132 | A | 34.8 | Very low | 37.2 | Very low | 103 Ų | 103 | 135.2 Ų | 135.2 | 85% | 0.851 | 79% | 0.786 | S | S | * | * | trans | -86.7 | 119.5 | 167.5 | 0 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 133 | V | 34.5 | Very low | 37 | Very low | 140 Ų | 140 | 135.3 Ų | 135.3 | 85% | 0.848 | 80% | 0.796 | S | S | * | * | trans | -139.2 | 135 | 153.2 | -177.1 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 134 | K | 38.3 | Very low | 36 | Very low | 188 Ų | 188 | 132.3 Ų | 132.3 | 82% | 0.817 | 80% | 0.796 | S | S | * | * | trans | -84 | 145.7 | -173.7 | -55.9 | 170 | -179.5 | 175 | 0 | 112.7 | ||||
| 135 | R | 33.8 | Very low | 35.2 | Very low | 236 Ų | 236 | 136.6 Ų | 136.6 | 89% | 0.891 | 80% | 0.802 | S | S | * | * | -165.7 | 149.8 | 123.1 | -111.4 | 167.6 | -76.4 | 144.1 | -7.5 | 113.6 | |||||
| 136 | N | 31.8 | Very low | 34.4 | Very low | 151 Ų | 151 | 140.5 Ų | 140.5 | 81% | 0.807 | 81% | 0.808 | S | S | * | * | trans | -66.1 | 165.3 | -178.1 | -63.7 | 2.3 | 0 | 0 | 0 | 111.4 | ||||
| 137 | V | 32 | Very low | 34.3 | Very low | 126 Ų | 126 | 143.8 Ų | 143.8 | 76% | 0.764 | 81% | 0.813 | S | S | * | * | -167.9 | 134.3 | 70.6 | 156.7 | 0 | 0 | 0 | 0 | 113.2 | |||||
| 138 | L | 30.9 | Very low | 33.7 | Very low | 149 Ų | 149 | 145 Ų | 145 | 78% | 0.78 | 81% | 0.807 | S | S | * | * | trans | 31.4 | 119.5 | 151.6 | -68.9 | 155.8 | 0 | 0 | 0 | 121.1 | ||||
| 139 | S | 31.5 | Very low | 33.5 | Very low | 127 Ų | 127 | 145.2 Ų | 145.2 | 89% | 0.888 | 81% | 0.809 | S | S | * | * | -156.5 | 160.8 | 109.4 | -145.9 | 0 | 0 | 0 | 0 | 112.6 | |||||
| 140 | V | 29.7 | Very low | 33.1 | Very low | 107 Ų | 107 | 140.1 Ų | 140.1 | 65% | 0.648 | 80% | 0.801 | S | S | * | * | trans | -115.6 | 134.1 | -162.6 | -178.9 | 0 | 0 | 0 | 0 | 111 | ||||
| 141 | N | 32.8 | Very low | 33.4 | Very low | 161 Ų | 161 | 142.8 Ų | 142.8 | 86% | 0.861 | 80% | 0.804 | S | S | * | * | trans | -179.4 | 143 | 131.1 | -88.4 | -17.7 | 0 | 0 | 0 | 113 | ||||
| 142 | K | 32.8 | Very low | 33.4 | Very low | 199 Ų | 199 | 142.4 Ų | 142.4 | 87% | 0.865 | 80% | 0.8 | S | S | * | * | trans | -153 | 174.1 | -178.2 | -127.8 | -172.5 | 178.9 | 174 | 0 | 106 | ||||
| 143 | P | 47.4 | Very low | 33.3 | Very low | 115 Ų | 115 | 145.3 Ų | 145.3 | 75% | 0.747 | 80% | 0.802 | S | S | * | * | cis | -135.9 | 177.5 | -12.6 | 40.4 | -24.1 | 0 | 0 | 0 | 114.6 | ||||
| 144 | G | 29.8 | Very low | 33.3 | Very low | 67 Ų | 67 | 146.9 Ų | 146.9 | 69% | 0.691 | 80% | 0.804 | S | S | * | * | trans | 156.6 | 77.1 | 160 | 0 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 145 | K | 32.2 | Very low | 32.9 | Very low | 195 Ų | 195 | 146.4 Ų | 146.4 | 85% | 0.848 | 81% | 0.805 | S | S | * | * | 66.8 | 131.8 | 95.1 | -76.8 | -173.3 | 179.9 | 178.5 | 0 | 114.4 | |||||
| 146 | K | 32.3 | Very low | 32.9 | Very low | 166 Ų | 166 | 140.6 Ų | 140.6 | 72% | 0.722 | 80% | 0.801 | S | S | * | * | cis | -173.2 | 171.6 | -10.1 | -134 | -166.6 | -179.3 | -141.5 | 0 | 110.4 | ||||
| 147 | K | 33 | Very low | 33.2 | Very low | 184 Ų | 184 | 139.5 Ų | 139.5 | 80% | 0.8 | 80% | 0.802 | S | S | * | * | trans | 83.1 | 117.2 | 173.7 | -56.5 | -175.8 | 175.3 | -174.3 | 0 | 114.5 | ||||
| 148 | E | 29.1 | Very low | 33.3 | Very low | 154 Ų | 154 | 141.5 Ų | 141.5 | 72% | 0.72 | 81% | 0.807 | S | S | * | * | cis | 69.1 | 128.8 | 46.4 | -54.3 | 167.5 | 136.5 | 0 | 0 | 111.1 | ||||
| 149 | S | 32.6 | Very low | 33.6 | Very low | 121 Ų | 121 | 141.2 Ų | 141.2 | 85% | 0.846 | 81% | 0.812 | S | S | * | * | cis | -145.7 | 165.3 | 20.1 | -56.4 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 150 | A | 32.9 | Very low | 34.4 | Very low | 93 Ų | 93 | 140.7 Ų | 140.7 | 77% | 0.769 | 81% | 0.805 | S | S | * | * | trans | -90.8 | 155.1 | 166.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 151 | P | 38 | Very low | 34.4 | Very low | 133 Ų | 133 | 144.2 Ų | 144.2 | 86% | 0.864 | 82% | 0.815 | S | S | * | * | trans | -85.7 | 149.4 | 166.2 | 35.4 | -31.7 | 0 | 0 | 0 | 111 | ||||
| 152 | G | 30.6 | Very low | 34.3 | Very low | 76 Ų | 76 | 141.2 Ų | 141.2 | 78% | 0.784 | 81% | 0.806 | S | S | * | * | trans | -116 | 134.1 | 170.7 | 0 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 153 | D | 33.4 | Very low | 34.4 | Very low | 164 Ų | 164 | 139 Ų | 139 | 88% | 0.877 | 80% | 0.802 | S | S | * | * | trans | -69.6 | 139.8 | 169.7 | -68.7 | -61.6 | 0 | 0 | 0 | 111.3 | ||||
| 154 | L | 34.1 | Very low | 33.6 | Very low | 173 Ų | 173 | 141.4 Ų | 141.4 | 91% | 0.906 | 81% | 0.809 | S | S | * | * | trans | -144.7 | 150.2 | 151.6 | -85.6 | -173.2 | 0 | 0 | 0 | 111.5 | ||||
| 155 | Q | 31.1 | Very low | 33.6 | Very low | 177 Ų | 177 | 141 Ų | 141 | 83% | 0.827 | 81% | 0.805 | S | S | * | * | trans | -86.4 | 152.4 | -164.6 | -61.4 | 147.4 | -54.3 | 0 | 0 | 113.4 | ||||
| 156 | S | 32.5 | Very low | 33.6 | Very low | 115 Ų | 115 | 138.2 Ų | 138.2 | 80% | 0.804 | 81% | 0.805 | S | S | * | * | trans | -70.1 | 150.8 | 158.6 | -48.3 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 157 | P | 37.6 | Very low | 33.5 | Very low | 127 Ų | 127 | 137.7 Ų | 137.7 | 83% | 0.825 | 81% | 0.809 | S | S | * | * | -133.5 | 163.4 | 121.5 | 12.5 | 9 | 0 | 0 | 0 | 114.4 | |||||
| 158 | L | 36 | Very low | 33.6 | Very low | 169 Ų | 169 | 136.6 Ų | 136.6 | 89% | 0.885 | 81% | 0.807 | S | S | * | * | trans | -84.8 | 146.9 | -178.9 | -61.8 | 153.7 | 0 | 0 | 0 | 112.4 | ||||
| 159 | T | 35.3 | Very low | 33.9 | Very low | 143 Ų | 143 | 134.6 Ų | 134.6 | 88% | 0.877 | 80% | 0.802 | S | S | * | * | trans | -159.4 | 159.9 | 138.7 | 29.8 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 160 | P | 49.4 | Very low | 33.9 | Very low | 115 Ų | 115 | 138.9 Ų | 138.9 | 75% | 0.747 | 80% | 0.799 | S | S | * | * | trans | -108.4 | -176.3 | -170.3 | 40.3 | -32.3 | 0 | 0 | 0 | 115.5 | ||||
| 161 | E | 30.2 | Very low | 33.8 | Very low | 182 Ų | 182 | 140.6 Ų | 140.6 | 85% | 0.85 | 80% | 0.8 | S | S | * | * | trans | 94.8 | 102.1 | 161.6 | -63.1 | -154.4 | 157.1 | 0 | 0 | 121.2 | ||||
| 162 | S | 30.1 | Very low | 33.7 | Very low | 97 Ų | 97 | 139.4 Ų | 139.4 | 68% | 0.678 | 79% | 0.79 | S | S | * | * | 92.7 | 140.9 | 111.4 | -147.6 | 0 | 0 | 0 | 0 | 122.8 | |||||
| 163 | I | 34.2 | Very low | 33.9 | Very low | 153 Ų | 153 | 142 Ų | 142 | 79% | 0.785 | 79% | 0.793 | S | S | * | * | trans | 58.9 | 102.9 | 155.5 | 51.7 | -179.6 | 0 | 0 | 0 | 124.3 | ||||
| 164 | N | 31.2 | Very low | 33.8 | Very low | 165 Ų | 165 | 141.4 Ų | 141.4 | 88% | 0.882 | 79% | 0.79 | S | S | * | * | 90.2 | 141.2 | 120.7 | -158.1 | 44.8 | 0 | 0 | 0 | 121.6 | |||||
| 165 | G | 30.1 | Very low | 33.8 | Very low | 59 Ų | 59 | 139.2 Ų | 139.2 | 61% | 0.608 | 78% | 0.784 | S | S | * | * | trans | 116 | 81.8 | 172.3 | 0 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 166 | T | 31.3 | Very low | 34.1 | Very low | 137 Ų | 137 | 136.8 Ų | 136.8 | 84% | 0.84 | 78% | 0.784 | S | S | * | * | 69.9 | 105.7 | 93.4 | -50.1 | 0 | 0 | 0 | 0 | 115.5 | |||||
| 167 | D | 30.3 | Very low | 34 | Very low | 154 Ų | 154 | 140.9 Ų | 140.9 | 82% | 0.824 | 79% | 0.787 | S | S | * | * | -162.5 | 171.7 | 124.8 | -148.1 | -6.3 | 0 | 0 | 0 | 111.6 | |||||
| 168 | E | 34.8 | Very low | 33.9 | Very low | 161 Ų | 161 | 143.2 Ų | 143.2 | 75% | 0.752 | 79% | 0.787 | S | S | * | * | trans | -83.7 | 171.4 | -148.1 | -72.4 | -100.8 | 101.7 | 0 | 0 | 120.6 | ||||
| 169 | D | 35.3 | Very low | 33.7 | Very low | 113 Ų | 113 | 140.5 Ų | 140.5 | 60% | 0.604 | 78% | 0.781 | S | S | * | * | trans | 75 | 143.2 | 148.8 | -104.3 | -8.5 | 0 | 0 | 0 | 118.4 | ||||
| 170 | R | 32.9 | Very low | 33.9 | Very low | 210 Ų | 210 | 142.1 Ų | 142.1 | 79% | 0.792 | 78% | 0.779 | S | S | * | * | cis | -172 | 145.4 | 5.7 | -163.4 | 148.3 | 176.2 | 149.6 | -6.3 | 108.3 | ||||
| 171 | V | 31.8 | Very low | 33.1 | Very low | 129 Ų | 129 | 141.4 Ų | 141.4 | 78% | 0.782 | 78% | 0.783 | S | S | * | * | cis | -153.7 | 171 | -8.9 | 84.3 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 172 | T | 35.3 | Very low | 33.1 | Very low | 109 Ų | 109 | 143 Ų | 143 | 67% | 0.669 | 78% | 0.781 | S | S | * | * | trans | -109.1 | 148.2 | 167.7 | 46.5 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 173 | P | 35.3 | Very low | 33.2 | Very low | 130 Ų | 130 | 142.8 Ų | 142.8 | 84% | 0.844 | 79% | 0.785 | S | S | * | * | P | Polyproline II helix | trans | -77.3 | 122 | 170.4 | -11.8 | 28.5 | 0 | 0 | 0 | 111.3 | ||
| 174 | N | 30.5 | Very low | 33.2 | Very low | 151 Ų | 151 | 142.9 Ų | 142.9 | 81% | 0.807 | 78% | 0.782 | S | S | * | * | P | Polyproline II helix | trans | -85.4 | 134.5 | 177.4 | -93.6 | -30.2 | 0 | 0 | 0 | 113 | ||
| 175 | T | 34.4 | Very low | 33.6 | Very low | 128 Ų | 128 | 140.2 Ų | 140.2 | 79% | 0.785 | 77% | 0.774 | S | S | * | * | P | Polyproline II helix | trans | -70.4 | 130.7 | 168.4 | -22.8 | 0 | 0 | 0 | 0 | 110.8 | K177 | T175-K177 PolarHBondContact O-N 3.07Š|
| 176 | P | 38.1 | Very low | 34.4 | Very low | 125 Ų | 125 | 143 Ų | 143 | 81% | 0.812 | 78% | 0.781 | S | S | * | * | P | Polyproline II helix | trans | -80.7 | 116.5 | 171.4 | -1.9 | 18.6 | 0 | 0 | 0 | 110.4 | ||
| 177 | K | 30.8 | Very low | 34.7 | Very low | 201 Ų | 201 | 145.5 Ų | 145.5 | 87% | 0.874 | 78% | 0.783 | S | S | * | * | P | Polyproline II helix | trans | -87.6 | 147.7 | 157.7 | -86 | -174.7 | 176.4 | 178.9 | 0 | 109.9 | T175 | T175-K177 PolarHBondContact O-N 3.07Š|
| 178 | H | 35.4 | Very low | 35.3 | Very low | 177 Ų | 177 | 146 Ų | 146 | 82% | 0.819 | 79% | 0.786 | S | S | * | * | P | Polyproline II helix | trans | -53.5 | 133.1 | 177 | -139.3 | -99.5 | 0 | 0 | 0 | 112.6 | ||
| 179 | S | 31.5 | Very low | 35.3 | Very low | 111 Ų | 111 | 142.8 Ų | 142.8 | 78% | 0.776 | 79% | 0.787 | S | S | * | * | trans | -149.1 | 126.2 | 155.5 | 48.6 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 180 | E | 39.5 | Very low | 35.8 | Very low | 178 Ų | 178 | 144.9 Ų | 144.9 | 83% | 0.832 | 80% | 0.797 | S | S | * | * | trans | -77.8 | 124 | 177 | -69.4 | 168.5 | 106.1 | 0 | 0 | 109.9 | ||||
| 181 | A | 32.2 | Very low | 36.6 | Very low | 99 Ų | 99 | 140.5 Ų | 140.5 | 82% | 0.818 | 80% | 0.796 | S | S | * | * | trans | -132.9 | 82.9 | 167.2 | 0 | 0 | 0 | 0 | 0 | 108.6 | A183 | A181-A183 PolarHBondContact O-N 2.87Š| ||
| 182 | R | 29.9 | Very low | 37.3 | Very low | 216 Ų | 216 | 143.4 Ų | 143.4 | 82% | 0.815 | 80% | 0.798 | S | S | * | * | trans | -65.4 | 115.3 | 176.2 | 170.3 | 178 | 165.3 | 173.6 | -5 | 109.8 | ||||
| 183 | A | 33.8 | Very low | 37.3 | Very low | 93 Ų | 93 | 143 Ų | 143 | 77% | 0.769 | 80% | 0.801 | S | S | * | * | P | Polyproline II helix | trans | -81.1 | 125.7 | 171.2 | 0 | 0 | 0 | 0 | 0 | 110.6 | A181 | A181-A183 PolarHBondContact O-N 2.87Š|
| 184 | E | 32.9 | Very low | 37.6 | Very low | 154 Ų | 154 | 145.5 Ų | 145.5 | 72% | 0.72 | 80% | 0.8 | S | S | * | * | P | Polyproline II helix | trans | -73.5 | 131.9 | 169.8 | -71.9 | -94.5 | 116.5 | 0 | 0 | 110.5 | ||
| 185 | P | 40.5 | Very low | 38.3 | Very low | 110 Ų | 110 | 142.3 Ų | 142.3 | 71% | 0.714 | 79% | 0.79 | S | S | * | * | P | Polyproline II helix | trans | -89 | 143.9 | 165.4 | 34.4 | -30.8 | 0 | 0 | 0 | 111.1 | ||
| 186 | P | 45.5 | Very low | 39.3 | Very low | 116 Ų | 116 | 140.9 Ų | 140.9 | 75% | 0.753 | 79% | 0.785 | S | S | * | * | P | Polyproline II helix | trans | -81.1 | 139.9 | -177.5 | 31.2 | -34.1 | 0 | 0 | 0 | 114.2 | ||
| 187 | Q | 38.5 | Very low | 40.4 | Very low | 190 Ų | 190 | 137.6 Ų | 137.6 | 89% | 0.888 | 77% | 0.765 | S | S | * | * | trans | 79.4 | 125.1 | 143.8 | -67.9 | 178.3 | -6.2 | 0 | 0 | 121.7 | ||||
| 188 | N | 42.4 | Very low | 42 | Very low | 166 Ų | 166 | 131.8 Ų | 131.8 | 89% | 0.888 | 75% | 0.75 | S | S | * | * | trans | -33.7 | 129.3 | 161.7 | -64.3 | -24.4 | 0 | 0 | 0 | 115.8 | ||||
| 189 | A | 34.5 | Very low | 43.6 | Very low | 92 Ų | 92 | 128.7 Ų | 128.7 | 76% | 0.76 | 74% | 0.738 | S | S | * | * | -177.8 | 127.6 | 106.1 | 0 | 0 | 0 | 0 | 0 | 110.7 | |||||
| 190 | L | 46 | Very low | 45.6 | Very low | 157 Ų | 157 | 127.7 Ų | 127.7 | 82% | 0.822 | 72% | 0.724 | S | S | * | * | trans | -79.7 | 141 | 156.7 | -72.5 | 169.7 | 0 | 0 | 0 | 107.8 | ||||
| 191 | P | 50.1 | Low | 47.6 | Very low | 119 Ų | 119 | 125.4 Ų | 125.4 | 77% | 0.773 | 71% | 0.711 | S | S | * | * | -132.6 | 158.5 | 95.7 | 36 | -26.9 | 0 | 0 | 0 | 114.2 | S193 | P191-S193 PolarHBondContact O-N 2.81Š| |||
| 192 | F | 45.6 | Very low | 49.9 | Very low | 189 Ų | 189 | 126.4 Ų | 126.4 | 83% | 0.829 | 70% | 0.699 | S | S | * | * | trans | -55.9 | 130.9 | 169 | -85.2 | -115.7 | 0 | 0 | 0 | 111.7 | ||||
| 193 | S | 36.5 | Very low | 52.5 | Low | 102 Ų | 102 | 123.6 Ų | 123.6 | 71% | 0.713 | 69% | 0.688 | S | S | * | * | trans | -174.1 | 120.7 | 131.7 | -85.6 | 0 | 0 | 0 | 0 | 113.4 | P191 | P191-S193 PolarHBondContact O-N 2.81Š| ||
| 194 | H | 41.8 | Very low | 55 | Low | 182 Ų | 182 | 125.3 Ų | 125.3 | 84% | 0.843 | 68% | 0.68 | S | S | * | * | trans | 29.1 | 99.4 | 147.5 | -56.7 | -87.1 | 0 | 0 | 0 | 119.3 | ||||
| 195 | S | 44.8 | Very low | 57.4 | Low | 83 Ų | 83 | 120.9 Ų | 120.9 | 58% | 0.58 | 67% | 0.67 | S | S | * | * | trans | -158.2 | 94.4 | 146.7 | -89 | 0 | 0 | 0 | 0 | 112 | S197 S198 | S195-S197 PolarHBondContact O-N 2.94Å; S195-S197 VanDerWaalsContact O-N 3.09Å; S195-S198 PolarHBondContact O-N 2.88Å; S195-S198 VanDerWaalsContact O-N 3.15Å | ||
| 196 | S | 56.2 | Low | 59.7 | Low | 98 Ų | 98 | 119.4 Ų | 119.4 | 69% | 0.685 | 65% | 0.654 | S | S | * | * | H | α-helix | trans | -57.5 | -18.8 | 171.9 | 41.2 | 0 | 0 | 0 | 0 | 113.5 | N200 | S196-N200 PolarHBondContact O-N 2.9Å; S196-N200 PolarHBondContact O-ND2 2.91Å |
| 197 | S | 59.5 | Low | 61.7 | Low | 56 Ų | 56 | 118.2 Ų | 118.2 | 39% | 0.392 | 64% | 0.641 | S | S | . | * | H | α-helix | trans | -58.9 | -43.9 | 171.4 | 148.6 | 0 | 0 | 0 | 0 | 113.4 | S195 N200 K201 | S195-S197 PolarHBondContact O-N 2.94Å; S195-S197 VanDerWaalsContact O-N 3.09Å; S197-N200 PolarHBondContact O-N 2.79Å; S197-K201 WeakPolarHBondContact O-CG 3.37Å; S197-K201 PolarHBondContact O-N 2.89Å; S197-K201 VanDerWaalsContact O-N 3.13Å; S197-K201 PolarHBondContact OG-NZ 3.44Å |
| 198 | S | 64.3 | Low | 64 | Low | 79 Ų | 79 | 112.1 Ų | 112.1 | 55% | 0.552 | 62% | 0.622 | S | S | * | * | H | α-helix | trans | -75.6 | -35.9 | -169.5 | -56 | 0 | 0 | 0 | 0 | 112.7 | S195 H202 | S195-S198 PolarHBondContact O-N 2.88Å; S195-S198 VanDerWaalsContact O-N 3.15Å; S198-H202 PolarHBondContact O-N 3.46Å |
| 199 | I | 70.8 | Confident | 66.2 | Low | 113 Ų | 113 | 106.7 Ų | 106.7 | 58% | 0.579 | 60% | 0.601 | S | S | * | * | H | α-helix | trans | -68.1 | -40.7 | 173.6 | -87.2 | 167.8 | 0 | 0 | 0 | 111.4 | K201 H202 W203 | I199-K201 PolarHBondContact O-N 3.48Å; I199-H202 WeakPolarHBondContact O-CB 3.44Å; I199-H202 PolarHBondContact O-N 2.92Å; I199-W203 PolarHBondContact O-N 2.84Å |
| 200 | N | 73.3 | Confident | 68.9 | Low | 90 Ų | 90 | 107.4 Ų | 107.4 | 48% | 0.481 | 59% | 0.591 | S | S | . | * | H | α-helix | trans | -62.8 | -42.5 | 176.1 | -80.5 | -58.6 | 0 | 0 | 0 | 111.9 | S196 S197 H202 W203 E204 | S196-N200 PolarHBondContact O-N 2.9Å; S196-N200 PolarHBondContact O-ND2 2.91Å; S197-N200 PolarHBondContact O-N 2.79Å; N200-H202 VanDerWaalsContact C-N 3.29Å; N200-H202 PolarHBondContact O-N 3.33Å; N200-W203 PolarHBondContact O-N 3.16Å; N200-E204 WeakPolarHBondContact O-CG 3.3Å; N200-E204 PolarHBondContact O-N 3.46Å |
| 201 | K | 81.7 | Confident | 71 | Confident | 130 Ų | 130 | 106.2 Ų | 106.2 | 57% | 0.565 | 58% | 0.579 | S | S | * | * | H | α-helix | trans | -61.1 | -34.3 | 175.6 | -72.9 | 170.2 | -178.3 | 174.3 | 0 | 113.4 | S197 I199 A205 | S197-K201 WeakPolarHBondContact O-CG 3.37Å; S197-K201 PolarHBondContact O-N 2.89Å; S197-K201 VanDerWaalsContact O-N 3.13Å; S197-K201 PolarHBondContact OG-NZ 3.44Å; I199-K201 PolarHBondContact O-N 3.48Å; K201-A205 WeakPolarHBondContact O-CB 3.35Å; K201-A205 PolarHBondContact O-N 2.96Å |
| 202 | H | 79.3 | Confident | 73 | Confident | 120 Ų | 120 | 102.1 Ų | 102.1 | 56% | 0.556 | 56% | 0.558 | S | S | * | * | H | α-helix | trans | -63.1 | -51.4 | 172.7 | -178 | -74 | 0 | 0 | 0 | 111.1 | S198 I199 N200 E204 A205 E206 | S198-H202 PolarHBondContact O-N 3.46Å; I199-H202 WeakPolarHBondContact O-CB 3.44Å; I199-H202 PolarHBondContact O-N 2.92Å; N200-H202 VanDerWaalsContact C-N 3.29Å; N200-H202 PolarHBondContact O-N 3.33Å; H202-E204 VanDerWaalsContact C-N 3.33Å; H202-E204 PolarHBondContact O-N 2.9Å; H202-A205 PolarHBondContact O-N 2.85Å; H202-E206 IonicContact CE1-OE2 2.9Å; H202-E206 PolarHBondContact CE1-OE2 3Å; H202-E206 VanDerWaalsContact CE1-OE2 3.26Å; H202-E206 IonicContact ND1-OE2 3.23Å; H202-E206 PolarHBondContact ND1-OE2 2.71Å; H202-E206 WeakPolarHBondContact O-CB 3.44Å; H202-E206 PolarHBondContact O-N 2.87Å |
| 203 | W | 85.1 | Confident | 75.3 | Confident | 157 Ų | 157 | 97 Ų | 97 | 60% | 0.595 | 54% | 0.54 | S | S | * | . | H | α-helix | trans | -63.8 | -35.3 | 178.8 | -68.2 | 121 | 0 | 0 | 0 | 113.2 | I199 N200 E206 L207 | I199-W203 PolarHBondContact O-N 2.84Å; N200-W203 PolarHBondContact O-N 3.16Å; W203-E206 VanDerWaalsContact CZ3-OE2 3.3Å; W203-E206 WeakPolarHBondContact CZ3-OE2 3.37Å; W203-L207 VanDerWaalsContact O-CB 3.24Å; W203-L207 WeakPolarHBondContact O-CB 3.48Å; W203-L207 PolarHBondContact O-N 2.91Å |
| 204 | E | 84.9 | Confident | 78 | Confident | 128 Ų | 128 | 97.2 Ų | 97.2 | 60% | 0.598 | 53% | 0.533 | S | S | * | . | H | α-helix | trans | -64.3 | -43.8 | 172.8 | -74.8 | 176.4 | 167.1 | 0 | 0 | 112.1 | N200 H202 L207 A208 | N200-E204 WeakPolarHBondContact O-CG 3.3Å; N200-E204 PolarHBondContact O-N 3.46Å; H202-E204 VanDerWaalsContact C-N 3.33Å; H202-E204 PolarHBondContact O-N 2.9Å; E204-L207 PolarHBondContact O-N 3.02Å; E204-A208 WeakPolarHBondContact O-CB 3.44Å; E204-A208 PolarHBondContact O-N 2.82Å |
| 205 | A | 84.9 | Confident | 80.4 | Confident | 61 Ų | 61 | 91.4 Ų | 91.4 | 50% | 0.504 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -65.8 | -40.7 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | K201 H202 A208 A209 | K201-A205 WeakPolarHBondContact O-CB 3.35Å; K201-A205 PolarHBondContact O-N 2.96Å; H202-A205 PolarHBondContact O-N 2.85Å; A205-A208 PolarHBondContact O-N 2.9Å; A205-A209 WeakPolarHBondContact O-CB 3.34Å; A205-A209 PolarHBondContact O-N 2.86Å |
| 206 | E | 88.4 | Confident | 82.8 | Confident | 80 Ų | 80 | 94.4 Ų | 94.4 | 37% | 0.374 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -67.6 | -41.1 | 176.8 | -170 | 168.5 | -173.9 | 0 | 0 | 111.7 | H202 W203 A208 A209 L210 | H202-E206 IonicContact CE1-OE2 2.9Å; H202-E206 PolarHBondContact CE1-OE2 3Å; H202-E206 VanDerWaalsContact CE1-OE2 3.26Å; H202-E206 IonicContact ND1-OE2 3.23Å; H202-E206 PolarHBondContact ND1-OE2 2.71Å; H202-E206 WeakPolarHBondContact O-CB 3.44Å; H202-E206 PolarHBondContact O-N 2.87Å; W203-E206 VanDerWaalsContact CZ3-OE2 3.3Å; W203-E206 WeakPolarHBondContact CZ3-OE2 3.37Å; E206-A208 VanDerWaalsContact C-N 3.33Å; E206-A208 PolarHBondContact O-N 2.59Å; E206-A209 PolarHBondContact O-N 2.85Å; E206-L210 HydrophobicContact CG-CD1 4.43Å; E206-L210 WeakPolarHBondContact O-CB 3.43Å; E206-L210 WeakPolarHBondContact O-CG 3.29Å; E206-L210 PolarHBondContact O-N 3.18Å |
| 207 | L | 86.9 | Confident | 84.6 | Confident | 91 Ų | 91 | 95.7 Ų | 95.7 | 48% | 0.476 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -63 | -38.1 | 172.1 | -178.4 | 62.9 | 0 | 0 | 0 | 112.1 | W203 E204 K211 | W203-L207 VanDerWaalsContact O-CB 3.24Å; W203-L207 WeakPolarHBondContact O-CB 3.48Å; W203-L207 PolarHBondContact O-N 2.91Å; E204-L207 PolarHBondContact O-N 3.02Å; L207-K211 HydrophobicContact CG-CD 4.41Å; L207-K211 WeakPolarHBondContact O-CB 3.17Å; L207-K211 VanDerWaalsContact O-CG 3.27Å; L207-K211 WeakPolarHBondContact O-CG 3.27Å; L207-K211 PolarHBondContact O-N 3.22Å |
| 208 | A | 87.3 | Confident | 86.2 | Confident | 61 Ų | 61 | 96.4 Ų | 96.4 | 50% | 0.504 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -66.7 | -41.3 | 174.2 | 0 | 0 | 0 | 0 | 0 | 112 | E204 A205 E206 K211 G212 | E204-A208 WeakPolarHBondContact O-CB 3.44Å; E204-A208 PolarHBondContact O-N 2.82Å; A205-A208 PolarHBondContact O-N 2.9Å; E206-A208 VanDerWaalsContact C-N 3.33Å; E206-A208 PolarHBondContact O-N 2.59Å; A208-K211 PolarHBondContact O-N 3.23Å; A208-G212 PolarHBondContact O-N 3.19Å |
| 209 | A | 88.3 | Confident | 87.6 | Confident | 52 Ų | 52 | 95.3 Ų | 95.3 | 43% | 0.43 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -64 | -42.9 | 174.5 | 0 | 0 | 0 | 0 | 0 | 112 | A205 E206 G212 N213 | A205-A209 WeakPolarHBondContact O-CB 3.34Å; A205-A209 PolarHBondContact O-N 2.86Å; E206-A209 PolarHBondContact O-N 2.85Å; A209-G212 PolarHBondContact O-N 3.22Å; A209-N213 WeakPolarHBondContact O-CB 3.33Å; A209-N213 VanDerWaalsContact O-CG 3.27Å; A209-N213 PolarHBondContact O-N 3.2Å; A209-N213 PolarHBondContact O-ND2 2.98Å |
| 210 | L | 90.8 | Very high | 88.7 | Confident | 107 Ų | 107 | 92.4 Ų | 92.4 | 56% | 0.56 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -63 | -42 | 174.8 | -74.4 | 169.7 | 0 | 0 | 0 | 112 | E206 N213 N214 | E206-L210 HydrophobicContact CG-CD1 4.43Å; E206-L210 WeakPolarHBondContact O-CB 3.43Å; E206-L210 WeakPolarHBondContact O-CG 3.29Å; E206-L210 PolarHBondContact O-N 3.18Å; L210-N213 PolarHBondContact O-N 3.5Å; L210-N214 WeakPolarHBondContact O-CB 3.35Å; L210-N214 PolarHBondContact O-N 2.77Å |
| 211 | K | 91.5 | Very high | 89.7 | Confident | 133 Ų | 133 | 93.6 Ų | 93.6 | 58% | 0.578 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -61.4 | -43.5 | 172.2 | -75.5 | 170.1 | 179.6 | 175.7 | 0 | 111.8 | L207 A208 N214 A215 | L207-K211 HydrophobicContact CG-CD 4.41Å; L207-K211 WeakPolarHBondContact O-CB 3.17Å; L207-K211 VanDerWaalsContact O-CG 3.27Å; L207-K211 WeakPolarHBondContact O-CG 3.27Å; L207-K211 PolarHBondContact O-N 3.22Å; A208-K211 PolarHBondContact O-N 3.23Å; K211-N214 PolarHBondContact O-N 3.41Å; K211-A215 WeakPolarHBondContact O-CB 3.5Å; K211-A215 PolarHBondContact O-N 3.33Å |
| 212 | G | 91.9 | Very high | 90.3 | Very high | 32 Ų | 32 | 93 Ų | 93 | 33% | 0.33 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -63.3 | -40 | 175.6 | 0 | 0 | 0 | 0 | 0 | 113.1 | A208 A209 A215 K216 | A208-G212 PolarHBondContact O-N 3.19Å; A209-G212 PolarHBondContact O-N 3.22Å; G212-A215 PolarHBondContact O-N 3.42Å; G212-K216 WeakPolarHBondContact O-CG 3.36Å; G212-K216 PolarHBondContact O-N 3.16Å |
| 213 | N | 93.3 | Very high | 91 | Very high | 83 Ų | 83 | 93.2 Ų | 93.2 | 44% | 0.444 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -69.5 | -39.4 | 175.9 | -71.6 | -18 | 0 | 0 | 0 | 111.9 | A209 L210 K216 L217 | A209-N213 WeakPolarHBondContact O-CB 3.33Å; A209-N213 VanDerWaalsContact O-CG 3.27Å; A209-N213 PolarHBondContact O-N 3.2Å; A209-N213 PolarHBondContact O-ND2 2.98Å; L210-N213 PolarHBondContact O-N 3.5Å; N213-K216 PolarHBondContact O-N 3.47Å; N213-L217 WeakPolarHBondContact O-CG 3.43Å; N213-L217 PolarHBondContact O-N 2.66Å |
| 214 | N | 92.6 | Very high | 91.5 | Very high | 106 Ų | 106 | 88.8 Ų | 88.8 | 57% | 0.567 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -60.1 | -47.3 | 172.9 | -169.6 | -83.3 | 0 | 0 | 0 | 111 | L210 K211 K216 L217 T218 | L210-N214 WeakPolarHBondContact O-CB 3.35Å; L210-N214 PolarHBondContact O-N 2.77Å; K211-N214 PolarHBondContact O-N 3.41Å; N214-K216 PolarHBondContact O-N 2.64Å; N214-L217 WeakPolarHBondContact O-CB 3.24Å; N214-L217 PolarHBondContact O-N 3.05Å; N214-L217 VanDerWaalsContact O-N 3.13Å; N214-T218 PolarHBondContact O-N 3.39Å; N214-T218 PolarHBondContact O-OG1 2.91Å; N214-T218 VanDerWaalsContact O-OG1 3.12Å |
| 215 | A | 93.3 | Very high | 91.9 | Very high | 59 Ų | 59 | 85.8 Ų | 85.8 | 49% | 0.488 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -60.2 | -40.2 | 175.9 | 0 | 0 | 0 | 0 | 0 | 113 | K211 G212 T218 A219 | K211-A215 WeakPolarHBondContact O-CB 3.5Å; K211-A215 PolarHBondContact O-N 3.33Å; G212-A215 PolarHBondContact O-N 3.42Å; A215-T218 PolarHBondContact O-N 3.39Å; A215-A219 WeakPolarHBondContact O-CB 3.27Å; A215-A219 PolarHBondContact O-N 3.17Å |
| 216 | K | 94.4 | Very high | 92.4 | Very high | 146 Ų | 146 | 85 Ų | 85 | 64% | 0.635 | 49% | 0.494 | S | S | * | . | H | α-helix | trans | -62.4 | -42 | 173.2 | -74 | 171.8 | -177 | 175.2 | 0 | 112.3 | G212 N213 N214 A219 A220 | G212-K216 WeakPolarHBondContact O-CG 3.36Å; G212-K216 PolarHBondContact O-N 3.16Å; N213-K216 PolarHBondContact O-N 3.47Å; N214-K216 PolarHBondContact O-N 2.64Å; K216-A219 PolarHBondContact O-N 2.89Å; K216-A220 WeakPolarHBondContact O-CB 3.23Å; K216-A220 PolarHBondContact O-N 3.24Å |
| 217 | L | 94.3 | Very high | 92.8 | Very high | 125 Ų | 125 | 84 Ų | 84 | 65% | 0.654 | 49% | 0.492 | S | S | * | . | H | α-helix | trans | -64.8 | -40.7 | 175.9 | -71.3 | 169.3 | 0 | 0 | 0 | 111.6 | N213 N214 A220 L221 | N213-L217 WeakPolarHBondContact O-CG 3.43Å; N213-L217 PolarHBondContact O-N 2.66Å; N214-L217 WeakPolarHBondContact O-CB 3.24Å; N214-L217 PolarHBondContact O-N 3.05Å; N214-L217 VanDerWaalsContact O-N 3.13Å; L217-A220 PolarHBondContact O-N 2.88Å; L217-L221 WeakPolarHBondContact O-CB 3.23Å; L217-L221 PolarHBondContact O-N 3.36Å |
| 218 | T | 93.2 | Very high | 93.3 | Very high | 72 Ų | 72 | 83.1 Ų | 83.1 | 44% | 0.442 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -62.1 | -44.1 | 173.2 | -51.9 | 0 | 0 | 0 | 0 | 111.7 | N214 A215 L221 L222 | N214-T218 PolarHBondContact O-N 3.39Å; N214-T218 PolarHBondContact O-OG1 2.91Å; N214-T218 VanDerWaalsContact O-OG1 3.12Å; A215-T218 PolarHBondContact O-N 3.39Å; T218-L221 PolarHBondContact O-N 2.56Å; T218-L222 HydrophobicContact CG2-CD1 4.33Å; T218-L222 WeakPolarHBondContact O-CG 3.23Å; T218-L222 PolarHBondContact O-N 2.82Å |
| 219 | A | 93.4 | Very high | 93.7 | Very high | 55 Ų | 55 | 87.1 Ų | 87.1 | 46% | 0.455 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -62 | -48.3 | 176.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | A215 K216 L221 L222 E223 | A215-A219 WeakPolarHBondContact O-CB 3.27Å; A215-A219 PolarHBondContact O-N 3.17Å; K216-A219 PolarHBondContact O-N 2.89Å; A219-L221 VanDerWaalsContact C-N 3.29Å; A219-L221 PolarHBondContact O-N 2.85Å; A219-L222 PolarHBondContact O-N 2.91Å; A219-E223 WeakPolarHBondContact O-CB 3.29Å; A219-E223 PolarHBondContact O-N 2.84Å |
| 220 | A | 94.4 | Very high | 94.1 | Very high | 52 Ų | 52 | 90.3 Ų | 90.3 | 43% | 0.43 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -63 | -33.2 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.9 | K216 L217 S224 | K216-A220 WeakPolarHBondContact O-CB 3.23Å; K216-A220 PolarHBondContact O-N 3.24Å; L217-A220 PolarHBondContact O-N 2.88Å; A220-S224 WeakPolarHBondContact O-CB 3.38Å; A220-S224 PolarHBondContact O-N 3.01Å |
| 221 | L | 94.5 | Very high | 94.4 | Very high | 116 Ų | 116 | 93.5 Ų | 93.5 | 61% | 0.607 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -69.5 | -40.7 | 174.3 | -177.6 | 63.2 | 0 | 0 | 0 | 112 | L217 T218 A219 T225 | L217-L221 WeakPolarHBondContact O-CB 3.23Å; L217-L221 PolarHBondContact O-N 3.36Å; T218-L221 PolarHBondContact O-N 2.56Å; A219-L221 VanDerWaalsContact C-N 3.29Å; A219-L221 PolarHBondContact O-N 2.85Å; L221-T225 WeakPolarHBondContact O-CB 3.46Å; L221-T225 PolarHBondContact O-N 3.4Å; L221-T225 PolarHBondContact O-OG1 2.89Å |
| 222 | L | 94.1 | Very high | 94.6 | Very high | 117 Ų | 117 | 94.2 Ų | 94.2 | 61% | 0.613 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -65.5 | -42.6 | 174.4 | -71.9 | 171.2 | 0 | 0 | 0 | 111.5 | T218 A219 T225 A226 | T218-L222 HydrophobicContact CG2-CD1 4.33Å; T218-L222 WeakPolarHBondContact O-CG 3.23Å; T218-L222 PolarHBondContact O-N 2.82Å; A219-L222 PolarHBondContact O-N 2.91Å; L222-T225 WeakPolarHBondContact O-CB 3.46Å; L222-T225 PolarHBondContact O-N 2.81Å; L222-A226 PolarHBondContact O-N 2.98Å |
| 223 | E | 94.5 | Very high | 94.8 | Very high | 124 Ų | 124 | 100 Ų | 100 | 58% | 0.579 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -62.5 | -48.4 | 174.9 | -173.6 | -179.9 | 177.3 | 0 | 0 | 111.4 | A219 T225 A226 N227 | A219-E223 WeakPolarHBondContact O-CB 3.29Å; A219-E223 PolarHBondContact O-N 2.84Å; E223-T225 VanDerWaalsContact C-N 3.27Å; E223-T225 PolarHBondContact O-N 2.86Å; E223-A226 WeakPolarHBondContact O-CB 3.34Å; E223-A226 PolarHBondContact O-N 3.32Å; E223-N227 WeakPolarHBondContact O-CB 3.38Å; E223-N227 VanDerWaalsContact O-CG 3.24Å; E223-N227 PolarHBondContact O-N 2.89Å |
| 224 | S | 94.3 | Very high | 95 | Very high | 64 Ų | 64 | 99.9 Ų | 99.9 | 45% | 0.448 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -57.1 | -41.2 | 173.3 | -177.2 | 0 | 0 | 0 | 0 | 112 | A220 A226 N227 V228 | A220-S224 WeakPolarHBondContact O-CB 3.38Å; A220-S224 PolarHBondContact O-N 3.01Å; S224-A226 PolarHBondContact O-N 3.23Å; S224-N227 PolarHBondContact O-N 3.37Å; S224-V228 WeakPolarHBondContact O-CG2 3.23Å; S224-V228 PolarHBondContact O-N 3.43Å |
| 225 | T | 94.4 | Very high | 95.2 | Very high | 65 Ų | 65 | 99.6 Ų | 99.6 | 40% | 0.399 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -65.9 | -36.4 | 175.7 | -57.9 | 0 | 0 | 0 | 0 | 112.4 | L221 L222 E223 K229 | L221-T225 WeakPolarHBondContact O-CB 3.46Å; L221-T225 PolarHBondContact O-N 3.4Å; L221-T225 PolarHBondContact O-OG1 2.89Å; L222-T225 WeakPolarHBondContact O-CB 3.46Å; L222-T225 PolarHBondContact O-N 2.81Å; E223-T225 VanDerWaalsContact C-N 3.27Å; E223-T225 PolarHBondContact O-N 2.86Å; T225-K229 WeakPolarHBondContact O-CG 3.31Å; T225-K229 PolarHBondContact O-N 3.24Å |
| 226 | A | 94.4 | Very high | 95.4 | Very high | 44 Ų | 44 | 97.9 Ų | 97.9 | 36% | 0.364 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -68.5 | -44.7 | 173.9 | 0 | 0 | 0 | 0 | 0 | 111.4 | L222 E223 S224 V228 K229 Q230 | L222-A226 PolarHBondContact O-N 2.98Å; E223-A226 WeakPolarHBondContact O-CB 3.34Å; E223-A226 PolarHBondContact O-N 3.32Å; S224-A226 PolarHBondContact O-N 3.23Å; A226-V228 PolarHBondContact O-N 2.95Å; A226-K229 WeakPolarHBondContact O-CA 3.48Å; A226-K229 WeakPolarHBondContact O-CB 3.33Å; A226-K229 PolarHBondContact O-N 3.18Å; A226-Q230 PolarHBondContact O-N 3.29Å |
| 227 | N | 96.4 | Very high | 95.4 | Very high | 61 Ų | 61 | 93.5 Ų | 93.5 | 33% | 0.326 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -58.9 | -45.7 | 176 | -68 | -14.2 | 0 | 0 | 0 | 110.9 | E223 S224 K229 Q230 W231 | E223-N227 WeakPolarHBondContact O-CB 3.38Å; E223-N227 VanDerWaalsContact O-CG 3.24Å; E223-N227 PolarHBondContact O-N 2.89Å; S224-N227 PolarHBondContact O-N 3.37Å; N227-K229 VanDerWaalsContact C-N 3.26Å; N227-K229 PolarHBondContact O-N 2.95Å; N227-Q230 PolarHBondContact O-N 3.09Å; N227-Q230 VanDerWaalsContact O-N 3.11Å; N227-W231 PolarHBondContact O-N 3.13Å |
| 228 | V | 97.4 | Very high | 95.5 | Very high | 72 Ų | 72 | 94.7 Ų | 94.7 | 44% | 0.436 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -59.1 | -35 | 175.1 | 169 | 0 | 0 | 0 | 0 | 112.3 | S224 A226 K232 | S224-V228 WeakPolarHBondContact O-CG2 3.23Å; S224-V228 PolarHBondContact O-N 3.43Å; A226-V228 PolarHBondContact O-N 2.95Å; V228-K232 HydrophobicContact CG1-CD 4.35Å; V228-K232 WeakPolarHBondContact O-CB 3.29Å; V228-K232 VanDerWaalsContact O-CG 3.28Å; V228-K232 WeakPolarHBondContact O-CG 3.47Å; V228-K232 PolarHBondContact O-N 2.89Å; V228-K232 VanDerWaalsContact O-N 3.12Å |
| 229 | K | 95.6 | Very high | 95.7 | Very high | 145 Ų | 145 | 96.6 Ų | 96.6 | 63% | 0.63 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -69.3 | -43.1 | 173.8 | -70.5 | 173.1 | -179.3 | 179.6 | 0 | 111.8 | T225 A226 N227 K232 Q233 | T225-K229 WeakPolarHBondContact O-CG 3.31Å; T225-K229 PolarHBondContact O-N 3.24Å; A226-K229 WeakPolarHBondContact O-CA 3.48Å; A226-K229 WeakPolarHBondContact O-CB 3.33Å; A226-K229 PolarHBondContact O-N 3.18Å; N227-K229 VanDerWaalsContact C-N 3.26Å; N227-K229 PolarHBondContact O-N 2.95Å; K229-K232 PolarHBondContact O-N 3.14Å; K229-Q233 PolarHBondContact O-N 2.94Å |
| 230 | Q | 96.5 | Very high | 95.9 | Very high | 118 Ų | 118 | 100.9 Ų | 100.9 | 55% | 0.551 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -62.4 | -47.9 | 176.2 | -71.6 | 177.7 | -20.2 | 0 | 0 | 111.8 | A226 N227 K232 Q233 Q234 | A226-Q230 PolarHBondContact O-N 3.29Å; N227-Q230 PolarHBondContact O-N 3.09Å; N227-Q230 VanDerWaalsContact O-N 3.11Å; Q230-K232 VanDerWaalsContact C-N 3.3Å; Q230-K232 PolarHBondContact O-N 2.93Å; Q230-Q233 PolarHBondContact O-N 2.98Å; Q230-Q233 VanDerWaalsContact O-N 3.12Å; Q230-Q234 WeakPolarHBondContact O-CB 3.39Å; Q230-Q234 PolarHBondContact O-N 3.02Å |
| 231 | W | 96.9 | Very high | 96 | Very high | 175 Ų | 175 | 102.1 Ų | 102.1 | 66% | 0.663 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -59.7 | -38.8 | 176 | -72.3 | 117 | 0 | 0 | 0 | 112.5 | N227 L235 | N227-W231 PolarHBondContact O-N 3.13Å; W231-L235 VanDerWaalsContact O-CB 3.27Å; W231-L235 WeakPolarHBondContact O-CB 3.48Å; W231-L235 PolarHBondContact O-N 3Å |
| 232 | K | 96.6 | Very high | 96 | Very high | 148 Ų | 148 | 99.3 Ų | 99.3 | 64% | 0.643 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -64.9 | -42.6 | 173.3 | -78.2 | 178 | 177.7 | -173 | 0 | 112.5 | V228 K229 Q230 G236 | V228-K232 HydrophobicContact CG1-CD 4.35Å; V228-K232 WeakPolarHBondContact O-CB 3.29Å; V228-K232 VanDerWaalsContact O-CG 3.28Å; V228-K232 WeakPolarHBondContact O-CG 3.47Å; V228-K232 PolarHBondContact O-N 2.89Å; V228-K232 VanDerWaalsContact O-N 3.12Å; K229-K232 PolarHBondContact O-N 3.14Å; Q230-K232 VanDerWaalsContact C-N 3.3Å; Q230-K232 PolarHBondContact O-N 2.93Å; K232-G236 PolarHBondContact O-N 3.45Å |
| 233 | Q | 97 | Very high | 96.2 | Very high | 152 Ų | 152 | 99.1 Ų | 99.1 | 71% | 0.71 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -64.3 | -43.6 | 176.7 | -175 | 177.9 | 8.6 | 0 | 0 | 111.5 | K229 Q230 G236 A237 | K229-Q233 PolarHBondContact O-N 2.94Å; Q230-Q233 PolarHBondContact O-N 2.98Å; Q230-Q233 VanDerWaalsContact O-N 3.12Å; Q233-G236 PolarHBondContact O-N 3.39Å; Q233-A237 PolarHBondContact O-N 3.37Å |
| 234 | Q | 96.9 | Very high | 96.3 | Very high | 82 Ų | 82 | 99.1 Ų | 99.1 | 38% | 0.383 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -68.6 | -37.3 | 178.8 | -173.6 | 170.1 | 0 | 0 | 0 | 112.1 | Q230 A237 Y238 | Q230-Q234 WeakPolarHBondContact O-CB 3.39Å; Q230-Q234 PolarHBondContact O-N 3.02Å; Q234-A237 PolarHBondContact O-N 3.08Å; Q234-Y238 HydrophobicContact CG-CD2 3.97Å; Q234-Y238 HydrophobicContact CG-CE2 3.51Å; Q234-Y238 PolarHBondContact NE2-OH 3.37Å; Q234-Y238 WeakPolarHBondContact O-CD2 3.13Å; Q234-Y238 PolarHBondContact O-N 2.93Å |
| 235 | L | 96.9 | Very high | 96.5 | Very high | 100 Ų | 100 | 100.2 Ų | 100.2 | 52% | 0.524 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -61.8 | -43.3 | 170.8 | -179.8 | 62.2 | 0 | 0 | 0 | 111.6 | W231 Y238 Q239 | W231-L235 VanDerWaalsContact O-CB 3.27Å; W231-L235 WeakPolarHBondContact O-CB 3.48Å; W231-L235 PolarHBondContact O-N 3Å; L235-Y238 PolarHBondContact O-N 3.15Å; L235-Q239 WeakPolarHBondContact O-CG 3.37Å; L235-Q239 PolarHBondContact O-N 3.21Å |
| 236 | G | 96.7 | Very high | 96.6 | Very high | 22 Ų | 22 | 103.5 Ų | 103.5 | 23% | 0.227 | 51% | 0.505 | C | S | . | . | H | α-helix | trans | -59.2 | -47.2 | 174 | 0 | 0 | 0 | 0 | 0 | 112.3 | K232 Q233 Y238 Q239 E240 | K232-G236 PolarHBondContact O-N 3.45Å; Q233-G236 PolarHBondContact O-N 3.39Å; G236-Y238 VanDerWaalsContact C-N 3.33Å; G236-Y238 PolarHBondContact O-N 2.89Å; G236-Q239 WeakPolarHBondContact O-CB 3.4Å; G236-Q239 PolarHBondContact O-N 2.84Å; G236-Q239 VanDerWaalsContact O-N 3.09Å; G236-E240 WeakPolarHBondContact O-CG 3.36Å; G236-E240 PolarHBondContact O-N 3.01Å |
| 237 | A | 95.7 | Very high | 96.7 | Very high | 54 Ų | 54 | 107 Ų | 107 | 45% | 0.446 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -59.9 | -39.8 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.8 | Q233 Q234 E241 | Q233-A237 PolarHBondContact O-N 3.37Å; Q234-A237 PolarHBondContact O-N 3.08Å; A237-E241 VanDerWaalsContact O-CB 3.3Å; A237-E241 WeakPolarHBondContact O-CB 3.49Å; A237-E241 PolarHBondContact O-N 3.03Å |
| 238 | Y | 96.1 | Very high | 96.8 | Very high | 150 Ų | 150 | 109.8 Ų | 109.8 | 59% | 0.588 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -69.7 | -31.8 | 174.1 | -72.2 | -50.6 | 0 | 0 | 0 | 113.3 | Q234 L235 G236 A242 | Q234-Y238 HydrophobicContact CG-CD2 3.97Å; Q234-Y238 HydrophobicContact CG-CE2 3.51Å; Q234-Y238 PolarHBondContact NE2-OH 3.37Å; Q234-Y238 WeakPolarHBondContact O-CD2 3.13Å; Q234-Y238 PolarHBondContact O-N 2.93Å; L235-Y238 PolarHBondContact O-N 3.15Å; G236-Y238 VanDerWaalsContact C-N 3.33Å; G236-Y238 PolarHBondContact O-N 2.89Å; Y238-A242 VanDerWaalsContact O-CB 3.28Å; Y238-A242 WeakPolarHBondContact O-CB 3.3Å; Y238-A242 PolarHBondContact O-N 2.87Å |
| 239 | Q | 97.2 | Very high | 96.7 | Very high | 113 Ų | 113 | 109.9 Ų | 109.9 | 53% | 0.528 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -68.3 | -46.8 | 174.1 | -74.8 | 173.4 | -22.1 | 0 | 0 | 111.4 | L235 G236 E241 A242 E243 | L235-Q239 WeakPolarHBondContact O-CG 3.37Å; L235-Q239 PolarHBondContact O-N 3.21Å; G236-Q239 WeakPolarHBondContact O-CB 3.4Å; G236-Q239 PolarHBondContact O-N 2.84Å; G236-Q239 VanDerWaalsContact O-N 3.09Å; Q239-E241 VanDerWaalsContact C-N 3.33Å; Q239-E241 PolarHBondContact O-N 2.95Å; Q239-A242 PolarHBondContact O-N 3.32Å; Q239-E243 PolarHBondContact O-N 2.88Å |
| 240 | E | 96.4 | Very high | 96.7 | Very high | 144 Ų | 144 | 106.3 Ų | 106.3 | 67% | 0.673 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -58.8 | -43.5 | 174.7 | -71.1 | 175 | -172.9 | 0 | 0 | 111.7 | G236 E243 R244 | G236-E240 WeakPolarHBondContact O-CG 3.36Å; G236-E240 PolarHBondContact O-N 3.01Å; E240-E243 PolarHBondContact O-N 3.35Å; E240-R244 WeakPolarHBondContact O-CB 3.38Å; E240-R244 PolarHBondContact O-N 3.1Å |
| 241 | E | 96.4 | Very high | 96.6 | Very high | 79 Ų | 79 | 105.4 Ų | 105.4 | 37% | 0.369 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -65.9 | -40.6 | 176.7 | 178.9 | 62.9 | -177.2 | 0 | 0 | 112.3 | A237 Q239 R244 L245 | A237-E241 VanDerWaalsContact O-CB 3.3Å; A237-E241 WeakPolarHBondContact O-CB 3.49Å; A237-E241 PolarHBondContact O-N 3.03Å; Q239-E241 VanDerWaalsContact C-N 3.33Å; Q239-E241 PolarHBondContact O-N 2.95Å; E241-R244 PolarHBondContact O-N 3.08Å; E241-R244 IonicContact OE1-CZ 3.83Å; E241-R244 IonicContact OE1-NE 2.63Å; E241-R244 IonicContact OE1-NH2 2.92Å; E241-R244 PolarHBondContact OE1-NH2 2.92Å; E241-R244 IonicContact OE2-CZ 3.85Å; E241-R244 VanDerWaalsContact OE2-CZ 3.32Å; E241-R244 IonicContact OE2-NE 3.26Å; E241-R244 PolarHBondContact OE2-NE 3.42Å; E241-R244 IonicContact OE2-NH2 2.95Å; E241-R244 PolarHBondContact OE2-NH2 2.78Å; E241-R244 VanDerWaalsContact OE2-NH2 3.09Å; E241-L245 HydrophobicContact CG-CD1 4.28Å; E241-L245 WeakPolarHBondContact O-CB 3.39Å; E241-L245 WeakPolarHBondContact O-CG 3.41Å; E241-L245 PolarHBondContact O-N 2.97Å |
| 242 | A | 96.2 | Very high | 96.4 | Very high | 57 Ų | 57 | 101.4 Ų | 101.4 | 47% | 0.471 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -64.1 | -43 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112 | Y238 Q239 L245 H246 | Y238-A242 VanDerWaalsContact O-CB 3.28Å; Y238-A242 WeakPolarHBondContact O-CB 3.3Å; Y238-A242 PolarHBondContact O-N 2.87Å; Q239-A242 PolarHBondContact O-N 3.32Å; A242-L245 PolarHBondContact O-N 3.43Å; A242-H246 WeakPolarHBondContact O-CB 3.5Å; A242-H246 PolarHBondContact O-N 3.26Å |
| 243 | E | 97.1 | Very high | 96.3 | Very high | 113 Ų | 113 | 100.2 Ų | 100.2 | 53% | 0.528 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -62 | -41.8 | 173 | -78.5 | -166.9 | -157.5 | 0 | 0 | 112.4 | Q239 E240 H246 K247 | Q239-E243 PolarHBondContact O-N 2.88Å; E240-E243 PolarHBondContact O-N 3.35Å; E243-H246 PolarHBondContact O-N 3.49Å; E243-K247 WeakPolarHBondContact O-CB 3.18Å; E243-K247 WeakPolarHBondContact O-CD 3.39Å; E243-K247 VanDerWaalsContact O-CG 3.31Å; E243-K247 WeakPolarHBondContact O-CG 3.49Å; E243-K247 PolarHBondContact O-N 3.34Å; E243-K247 IonicContact OE2-NZ 3.49Å; E243-K247 PolarHBondContact OE2-NZ 3.5Å |
| 244 | R | 97.8 | Very high | 96 | Very high | 124 Ų | 124 | 96.4 Ų | 96.4 | 47% | 0.468 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -63.2 | -43.2 | 178.1 | -169.6 | -166.3 | 66.4 | 70.2 | -0.3 | 111.2 | E240 E241 R248 | E240-R244 WeakPolarHBondContact O-CB 3.38Å; E240-R244 PolarHBondContact O-N 3.1Å; E241-R244 PolarHBondContact O-N 3.08Å; E241-R244 IonicContact OE1-CZ 3.83Å; E241-R244 IonicContact OE1-NE 2.63Å; E241-R244 IonicContact OE1-NH2 2.92Å; E241-R244 PolarHBondContact OE1-NH2 2.92Å; E241-R244 IonicContact OE2-CZ 3.85Å; E241-R244 VanDerWaalsContact OE2-CZ 3.32Å; E241-R244 IonicContact OE2-NE 3.26Å; E241-R244 PolarHBondContact OE2-NE 3.42Å; E241-R244 IonicContact OE2-NH2 2.95Å; E241-R244 PolarHBondContact OE2-NH2 2.78Å; E241-R244 VanDerWaalsContact OE2-NH2 3.09Å; R244-R248 WeakPolarHBondContact O-CB 3.34Å; R244-R248 PolarHBondContact O-N 3.25Å; R244-R248 VanDerWaalsContact O-N 3.08Å |
| 245 | L | 97.5 | Very high | 95.8 | Very high | 87 Ų | 87 | 96.3 Ų | 96.3 | 46% | 0.455 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -65.8 | -42.4 | 175 | -72.6 | 171.8 | 0 | 0 | 0 | 111.7 | E241 A242 R248 V249 | E241-L245 HydrophobicContact CG-CD1 4.28Å; E241-L245 WeakPolarHBondContact O-CB 3.39Å; E241-L245 WeakPolarHBondContact O-CG 3.41Å; E241-L245 PolarHBondContact O-N 2.97Å; A242-L245 PolarHBondContact O-N 3.43Å; L245-R248 PolarHBondContact O-N 2.68Å; L245-V249 WeakPolarHBondContact O-CG2 3.21Å; L245-V249 PolarHBondContact O-N 3.48Å |
| 246 | H | 97.3 | Very high | 95.4 | Very high | 133 Ų | 133 | 95 Ų | 95 | 62% | 0.616 | 49% | 0.486 | S | S | * | . | H | α-helix | trans | -61.4 | -48.6 | 177.8 | -169.8 | 66.4 | 0 | 0 | 0 | 111.8 | A242 E243 R248 V249 T250 | A242-H246 WeakPolarHBondContact O-CB 3.5Å; A242-H246 PolarHBondContact O-N 3.26Å; E243-H246 PolarHBondContact O-N 3.49Å; H246-R248 VanDerWaalsContact C-N 3.26Å; H246-R248 PolarHBondContact O-N 3.34Å; H246-V249 PolarHBondContact O-N 2.83Å; H246-V249 VanDerWaalsContact O-N 3.14Å; H246-T250 PolarHBondContact O-N 2.96Å; H246-T250 VanDerWaalsContact O-N 3.1Å; H246-T250 PolarHBondContact O-OG1 3.48Å |
| 247 | K | 96.9 | Very high | 95.1 | Very high | 117 Ų | 117 | 95.9 Ų | 95.9 | 51% | 0.509 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -53.7 | -44.5 | 172.7 | -72 | 161.8 | -171.8 | 153.7 | 0 | 111.1 | E243 V249 T250 E251 | E243-K247 WeakPolarHBondContact O-CB 3.18Å; E243-K247 WeakPolarHBondContact O-CD 3.39Å; E243-K247 VanDerWaalsContact O-CG 3.31Å; E243-K247 WeakPolarHBondContact O-CG 3.49Å; E243-K247 PolarHBondContact O-N 3.34Å; E243-K247 IonicContact OE2-NZ 3.49Å; E243-K247 PolarHBondContact OE2-NZ 3.5Å; K247-V249 PolarHBondContact O-N 3.13Å; K247-T250 PolarHBondContact O-N 2.65Å; K247-E251 WeakPolarHBondContact O-CG 3.24Å; K247-E251 PolarHBondContact O-N 3.25Å |
| 248 | R | 96.8 | Very high | 94.9 | Very high | 121 Ų | 121 | 98.5 Ų | 98.5 | 46% | 0.457 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -67 | -34.6 | 179.5 | -173.9 | 54.4 | 179.1 | 168.5 | 3.3 | 113.7 | R244 L245 H246 E251 L252 | R244-R248 WeakPolarHBondContact O-CB 3.34Å; R244-R248 PolarHBondContact O-N 3.25Å; R244-R248 VanDerWaalsContact O-N 3.08Å; L245-R248 PolarHBondContact O-N 2.68Å; H246-R248 VanDerWaalsContact C-N 3.26Å; H246-R248 PolarHBondContact O-N 3.34Å; R248-E251 VanDerWaalsContact CD-OE2 3.28Å; R248-E251 WeakPolarHBondContact CD-OE2 3.25Å; R248-E251 IonicContact CZ-OE2 3.86Å; R248-E251 IonicContact NE-OE2 3.82Å; R248-E251 IonicContact NH1-OE2 2.77Å; R248-E251 PolarHBondContact NH1-OE2 3.39Å; R248-L252 HydrophobicContact CG-CD1 4.25Å; R248-L252 VanDerWaalsContact O-CG 3.28Å; R248-L252 WeakPolarHBondContact O-CG 3.47Å; R248-L252 PolarHBondContact O-N 2.94Å; R248-L252 VanDerWaalsContact O-N 3.15Å |
| 249 | V | 96.6 | Very high | 94.7 | Very high | 73 Ų | 73 | 94 Ų | 94 | 44% | 0.442 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -64.8 | -49.4 | 174.1 | 169.8 | 0 | 0 | 0 | 0 | 110.2 | L245 H246 K247 E251 L252 E253 | L245-V249 WeakPolarHBondContact O-CG2 3.21Å; L245-V249 PolarHBondContact O-N 3.48Å; H246-V249 PolarHBondContact O-N 2.83Å; H246-V249 VanDerWaalsContact O-N 3.14Å; K247-V249 PolarHBondContact O-N 3.13Å; V249-E251 VanDerWaalsContact C-N 3.33Å; V249-E251 PolarHBondContact O-N 2.91Å; V249-L252 PolarHBondContact O-N 3.18Å; V249-E253 HydrophobicContact CG1-CG 4.28Å; V249-E253 WeakPolarHBondContact O-CG 3.42Å; V249-E253 PolarHBondContact O-N 3.07Å |
| 250 | T | 94.7 | Very high | 94.4 | Very high | 71 Ų | 71 | 94.2 Ų | 94.2 | 44% | 0.436 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -60.9 | -38.6 | 179 | -51.8 | 0 | 0 | 0 | 0 | 112.8 | H246 K247 C254 | H246-T250 PolarHBondContact O-N 2.96Å; H246-T250 VanDerWaalsContact O-N 3.1Å; H246-T250 PolarHBondContact O-OG1 3.48Å; K247-T250 PolarHBondContact O-N 2.65Å; T250-C254 WeakPolarHBondContact O-CB 3.3Å; T250-C254 PolarHBondContact O-N 3.37Å |
| 251 | E | 94.5 | Very high | 94.3 | Very high | 99 Ų | 99 | 91.1 Ų | 91.1 | 46% | 0.463 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -58.4 | -47.3 | 171.2 | -75.3 | 172.9 | -174.3 | 0 | 0 | 112.1 | K247 R248 V249 C254 V255 | K247-E251 WeakPolarHBondContact O-CG 3.24Å; K247-E251 PolarHBondContact O-N 3.25Å; R248-E251 VanDerWaalsContact CD-OE2 3.28Å; R248-E251 WeakPolarHBondContact CD-OE2 3.25Å; R248-E251 IonicContact CZ-OE2 3.86Å; R248-E251 IonicContact NE-OE2 3.82Å; R248-E251 IonicContact NH1-OE2 2.77Å; R248-E251 PolarHBondContact NH1-OE2 3.39Å; V249-E251 VanDerWaalsContact C-N 3.33Å; V249-E251 PolarHBondContact O-N 2.91Å; E251-C254 PolarHBondContact O-N 2.68Å; E251-V255 WeakPolarHBondContact O-CG2 2.99Å; E251-V255 PolarHBondContact O-N 2.84Å |
| 252 | L | 93.5 | Very high | 94.2 | Very high | 90 Ų | 90 | 92.4 Ų | 92.4 | 47% | 0.471 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -67.9 | -37.7 | -178.6 | -72.4 | 170.6 | 0 | 0 | 0 | 112.2 | R248 V249 V255 S256 | R248-L252 HydrophobicContact CG-CD1 4.25Å; R248-L252 VanDerWaalsContact O-CG 3.28Å; R248-L252 WeakPolarHBondContact O-CG 3.47Å; R248-L252 PolarHBondContact O-N 2.94Å; R248-L252 VanDerWaalsContact O-N 3.15Å; V249-L252 PolarHBondContact O-N 3.18Å; L252-V255 PolarHBondContact O-N 3.05Å; L252-S256 WeakPolarHBondContact O-CB 3.44Å; L252-S256 PolarHBondContact O-N 2.89Å |
| 253 | E | 93.4 | Very high | 94.1 | Very high | 124 Ų | 124 | 95.5 Ų | 95.5 | 58% | 0.579 | 49% | 0.49 | S | S | * | . | H | α-helix | trans | -62.1 | -44.8 | 173.5 | -71.1 | 172.6 | 152.1 | 0 | 0 | 111.3 | V249 S256 G257 | V249-E253 HydrophobicContact CG1-CG 4.28Å; V249-E253 WeakPolarHBondContact O-CG 3.42Å; V249-E253 PolarHBondContact O-N 3.07Å; E253-S256 WeakPolarHBondContact O-CB 3.49Å; E253-S256 PolarHBondContact O-N 3.2Å; E253-G257 PolarHBondContact O-N 3.44Å |
| 254 | C | 91.9 | Very high | 94 | Very high | 72 Ų | 72 | 93.8 Ų | 93.8 | 49% | 0.486 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -61.9 | -48.1 | 176.3 | -171.7 | 0 | 0 | 0 | 0 | 112.1 | T250 E251 S256 G257 Q258 | T250-C254 WeakPolarHBondContact O-CB 3.3Å; T250-C254 PolarHBondContact O-N 3.37Å; E251-C254 PolarHBondContact O-N 2.68Å; C254-S256 VanDerWaalsContact C-N 3.32Å; C254-S256 PolarHBondContact O-N 3.08Å; C254-G257 PolarHBondContact O-N 2.88Å; C254-Q258 WeakPolarHBondContact O-CG 3.18Å; C254-Q258 PolarHBondContact O-N 2.85Å |
| 255 | V | 91.3 | Very high | 93.9 | Very high | 80 Ų | 80 | 93.3 Ų | 93.3 | 49% | 0.485 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -64.8 | -35.5 | 177.6 | 171.8 | 0 | 0 | 0 | 0 | 111.7 | E251 L252 Q258 T259 | E251-V255 WeakPolarHBondContact O-CG2 2.99Å; E251-V255 PolarHBondContact O-N 2.84Å; L252-V255 PolarHBondContact O-N 3.05Å; V255-Q258 PolarHBondContact O-N 2.67Å; V255-T259 WeakPolarHBondContact O-CB 3.41Å; V255-T259 PolarHBondContact O-N 2.91Å; V255-T259 PolarHBondContact O-OG1 3.09Å |
| 256 | S | 90.3 | Very high | 93.9 | Very high | 72 Ų | 72 | 95.5 Ų | 95.5 | 50% | 0.503 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -63 | -46.4 | 174.1 | -174 | 0 | 0 | 0 | 0 | 111.5 | L252 E253 C254 Q258 T259 M260 | L252-S256 WeakPolarHBondContact O-CB 3.44Å; L252-S256 PolarHBondContact O-N 2.89Å; E253-S256 WeakPolarHBondContact O-CB 3.49Å; E253-S256 PolarHBondContact O-N 3.2Å; C254-S256 VanDerWaalsContact C-N 3.32Å; C254-S256 PolarHBondContact O-N 3.08Å; S256-Q258 PolarHBondContact O-N 3.12Å; S256-T259 WeakPolarHBondContact O-CB 3.4Å; S256-T259 PolarHBondContact O-N 3.43Å; S256-M260 PolarHBondContact O-N 3.08Å |
| 257 | G | 89.8 | Confident | 93.8 | Very high | 40 Ų | 40 | 93.4 Ų | 93.4 | 41% | 0.412 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -58.4 | -47.4 | 174.4 | 0 | 0 | 0 | 0 | 0 | 112.8 | E253 C254 T259 M260 V261 | E253-G257 PolarHBondContact O-N 3.44Å; C254-G257 PolarHBondContact O-N 2.88Å; G257-T259 VanDerWaalsContact C-N 3.32Å; G257-T259 PolarHBondContact O-N 2.66Å; G257-M260 PolarHBondContact O-N 3.39Å; G257-V261 PolarHBondContact O-N 3.47Å; G257-V261 VanDerWaalsContact O-N 3.16Å |
| 258 | Q | 90.8 | Very high | 93.8 | Very high | 109 Ų | 109 | 92.1 Ų | 92.1 | 51% | 0.509 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -60.2 | -40.6 | 174.7 | -68.6 | 175.4 | 9.8 | 0 | 0 | 112.2 | C254 V255 S256 M260 V261 I262 | C254-Q258 WeakPolarHBondContact O-CG 3.18Å; C254-Q258 PolarHBondContact O-N 2.85Å; V255-Q258 PolarHBondContact O-N 2.67Å; S256-Q258 PolarHBondContact O-N 3.12Å; Q258-M260 VanDerWaalsContact C-N 3.3Å; Q258-M260 PolarHBondContact O-N 3.37Å; Q258-V261 PolarHBondContact O-N 3.15Å; Q258-I262 WeakPolarHBondContact O-CG1 3.41Å; Q258-I262 PolarHBondContact O-N 3.42Å |
| 259 | T | 92.3 | Very high | 93.8 | Very high | 57 Ų | 57 | 91.5 Ų | 91.5 | 35% | 0.35 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -61.1 | -38.1 | 177.3 | -61.1 | 0 | 0 | 0 | 0 | 111.8 | V255 S256 G257 K263 | V255-T259 WeakPolarHBondContact O-CB 3.41Å; V255-T259 PolarHBondContact O-N 2.91Å; V255-T259 PolarHBondContact O-OG1 3.09Å; S256-T259 WeakPolarHBondContact O-CB 3.4Å; S256-T259 PolarHBondContact O-N 3.43Å; G257-T259 VanDerWaalsContact C-N 3.32Å; G257-T259 PolarHBondContact O-N 2.66Å; T259-K263 HydrophobicContact CG2-CD 4.34Å; T259-K263 WeakPolarHBondContact O-CB 3.42Å; T259-K263 VanDerWaalsContact O-CG 3.28Å; T259-K263 WeakPolarHBondContact O-CG 3.21Å; T259-K263 PolarHBondContact O-N 3.4Å |
| 260 | M | 91.6 | Very high | 93.8 | Very high | 116 Ų | 116 | 91.6 Ų | 91.6 | 57% | 0.571 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -68.9 | -39.5 | 176.1 | -69.3 | -61.1 | -70.5 | 0 | 0 | 112.4 | S256 G257 Q258 K263 S264 | S256-M260 PolarHBondContact O-N 3.08Å; G257-M260 PolarHBondContact O-N 3.39Å; Q258-M260 VanDerWaalsContact C-N 3.3Å; Q258-M260 PolarHBondContact O-N 3.37Å; M260-K263 PolarHBondContact O-N 3.04Å; M260-K263 HydrophobicContact SD-CD 4.14Å; M260-S264 PolarHBondContact O-N 3.1Å |
| 261 | V | 93.9 | Very high | 94 | Very high | 80 Ų | 80 | 93 Ų | 93 | 49% | 0.485 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -62.7 | -46.8 | 173.8 | 176.1 | 0 | 0 | 0 | 0 | 111.1 | G257 Q258 K263 S264 Q265 | G257-V261 PolarHBondContact O-N 3.47Å; G257-V261 VanDerWaalsContact O-N 3.16Å; Q258-V261 PolarHBondContact O-N 3.15Å; V261-K263 VanDerWaalsContact C-N 3.32Å; V261-K263 PolarHBondContact O-N 3.36Å; V261-S264 WeakPolarHBondContact O-CB 3.32Å; V261-S264 PolarHBondContact O-N 2.97Å; V261-Q265 HydrophobicContact CG1-CG 4.47Å; V261-Q265 WeakPolarHBondContact O-CG 3.44Å; V261-Q265 PolarHBondContact O-N 2.97Å |
| 262 | I | 93.7 | Very high | 94.1 | Very high | 106 Ų | 106 | 90.5 Ų | 90.5 | 54% | 0.544 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -62.6 | -38.8 | 178 | -67.5 | 163.9 | 0 | 0 | 0 | 111.2 | Q258 Q265 K266 | Q258-I262 WeakPolarHBondContact O-CG1 3.41Å; Q258-I262 PolarHBondContact O-N 3.42Å; I262-Q265 PolarHBondContact O-N 3.04Å; I262-K266 VanDerWaalsContact O-CB 3.32Å; I262-K266 WeakPolarHBondContact O-CB 3.36Å; I262-K266 PolarHBondContact O-N 2.99Å |
| 263 | K | 95 | Very high | 94.3 | Very high | 122 Ų | 122 | 90.2 Ų | 90.2 | 53% | 0.53 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -61.2 | -45.8 | 173.6 | -78.4 | 171.5 | 179.1 | 176.9 | 0 | 111.9 | T259 M260 V261 K266 T267 | T259-K263 HydrophobicContact CG2-CD 4.34Å; T259-K263 WeakPolarHBondContact O-CB 3.42Å; T259-K263 VanDerWaalsContact O-CG 3.28Å; T259-K263 WeakPolarHBondContact O-CG 3.21Å; T259-K263 PolarHBondContact O-N 3.4Å; M260-K263 PolarHBondContact O-N 3.04Å; M260-K263 HydrophobicContact SD-CD 4.14Å; V261-K263 VanDerWaalsContact C-N 3.32Å; V261-K263 PolarHBondContact O-N 3.36Å; K263-K266 PolarHBondContact O-N 3.02Å; K263-T267 PolarHBondContact O-N 3.37Å; K263-T267 PolarHBondContact O-OG1 3.48Å |
| 264 | S | 94.8 | Very high | 94.5 | Very high | 77 Ų | 77 | 90.4 Ų | 90.4 | 54% | 0.538 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -62.4 | -45.6 | 177.7 | -175.1 | 0 | 0 | 0 | 0 | 112.1 | M260 V261 K266 T267 E268 | M260-S264 PolarHBondContact O-N 3.1Å; V261-S264 WeakPolarHBondContact O-CB 3.32Å; V261-S264 PolarHBondContact O-N 2.97Å; S264-K266 VanDerWaalsContact C-N 3.32Å; S264-K266 PolarHBondContact O-N 3.29Å; S264-T267 WeakPolarHBondContact CA-OG1 3.25Å; S264-T267 PolarHBondContact O-N 3.06Å; S264-T267 PolarHBondContact O-OG1 3.03Å; S264-E268 PolarHBondContact O-N 3.09Å |
| 265 | Q | 96 | Very high | 94.8 | Very high | 114 Ų | 114 | 91.7 Ų | 91.7 | 53% | 0.533 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -61.1 | -40.1 | 174 | -71.6 | 174.5 | -12.7 | 0 | 0 | 112 | V261 I262 E268 L269 | V261-Q265 HydrophobicContact CG1-CG 4.47Å; V261-Q265 WeakPolarHBondContact O-CG 3.44Å; V261-Q265 PolarHBondContact O-N 2.97Å; I262-Q265 PolarHBondContact O-N 3.04Å; Q265-E268 PolarHBondContact O-N 2.62Å; Q265-L269 WeakPolarHBondContact O-CB 3.45Å; Q265-L269 VanDerWaalsContact O-CG 3.31Å; Q265-L269 WeakPolarHBondContact O-CG 3.31Å; Q265-L269 PolarHBondContact O-N 2.96Å |
| 266 | K | 96.8 | Very high | 95.1 | Very high | 132 Ų | 132 | 93.7 Ų | 93.7 | 57% | 0.574 | 49% | 0.49 | S | S | * | . | H | α-helix | trans | -64 | -42 | 175.4 | -177.8 | 179.5 | 177.1 | -178.5 | 0 | 112.1 | I262 K263 S264 E268 L269 N270 | I262-K266 VanDerWaalsContact O-CB 3.32Å; I262-K266 WeakPolarHBondContact O-CB 3.36Å; I262-K266 PolarHBondContact O-N 2.99Å; K263-K266 PolarHBondContact O-N 3.02Å; S264-K266 VanDerWaalsContact C-N 3.32Å; S264-K266 PolarHBondContact O-N 3.29Å; K266-E268 VanDerWaalsContact C-N 3.34Å; K266-L269 PolarHBondContact O-N 3Å; K266-N270 WeakPolarHBondContact O-CB 3.48Å; K266-N270 PolarHBondContact O-N 3.04Å; K266-N270 PolarHBondContact O-OD1 3.35Å |
| 267 | T | 96.1 | Very high | 95.4 | Very high | 90 Ų | 90 | 94.8 Ų | 94.8 | 55% | 0.552 | 49% | 0.487 | S | S | * | . | H | α-helix | trans | -65.3 | -38.2 | 176.5 | 42.9 | 0 | 0 | 0 | 0 | 112.1 | K263 S264 N270 R271 | K263-T267 PolarHBondContact O-N 3.37Å; K263-T267 PolarHBondContact O-OG1 3.48Å; S264-T267 WeakPolarHBondContact CA-OG1 3.25Å; S264-T267 PolarHBondContact O-N 3.06Å; S264-T267 PolarHBondContact O-OG1 3.03Å; T267-N270 PolarHBondContact O-N 2.88Å; T267-R271 WeakPolarHBondContact O-CB 3.45Å; T267-R271 PolarHBondContact O-N 3.35Å |
| 268 | E | 96.8 | Very high | 95.8 | Very high | 89 Ų | 89 | 95.1 Ų | 95.1 | 42% | 0.416 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -70.1 | -39.3 | 176.5 | -177.7 | 57.8 | -163.5 | 0 | 0 | 112.4 | S264 Q265 K266 R271 T272 | S264-E268 PolarHBondContact O-N 3.09Å; Q265-E268 PolarHBondContact O-N 2.62Å; K266-E268 VanDerWaalsContact C-N 3.34Å; E268-R271 WeakPolarHBondContact O-CB 3.48Å; E268-R271 PolarHBondContact O-N 2.97Å; E268-R271 IonicContact OE1-CZ 3.97Å; E268-R271 IonicContact OE1-NE 3.09Å; E268-R271 PolarHBondContact OE1-NE 3.39Å; E268-R271 IonicContact OE1-NH2 3.32Å; E268-R271 PolarHBondContact OE1-NH2 3.01Å; E268-R271 IonicContact OE2-CZ 3.05Å; E268-R271 IonicContact OE2-NE 2.75Å; E268-R271 PolarHBondContact OE2-NE 3.32Å; E268-R271 IonicContact OE2-NH2 3.75Å; E268-T272 PolarHBondContact O-N 2.88Å; E268-T272 PolarHBondContact O-OG1 3.04Å |
| 269 | L | 96.6 | Very high | 96.1 | Very high | 109 Ų | 109 | 92.6 Ų | 92.6 | 57% | 0.571 | 48% | 0.483 | S | S | * | . | H | α-helix | trans | -63.6 | -42.3 | 172.7 | -73.7 | 171.2 | 0 | 0 | 0 | 111.7 | Q265 K266 R271 T272 I273 | Q265-L269 WeakPolarHBondContact O-CB 3.45Å; Q265-L269 VanDerWaalsContact O-CG 3.31Å; Q265-L269 WeakPolarHBondContact O-CG 3.31Å; Q265-L269 PolarHBondContact O-N 2.96Å; K266-L269 PolarHBondContact O-N 3Å; L269-R271 VanDerWaalsContact C-N 3.35Å; L269-R271 PolarHBondContact O-N 3.36Å; L269-T272 WeakPolarHBondContact CA-OG1 3.4Å; L269-T272 PolarHBondContact O-N 2.85Å; L269-T272 PolarHBondContact O-OG1 2.97Å; L269-I273 WeakPolarHBondContact O-CD1 3.36Å; L269-I273 VanDerWaalsContact O-CG1 3.26Å; L269-I273 WeakPolarHBondContact O-CG1 3.3Å; L269-I273 PolarHBondContact O-N 3.19Å |
| 270 | N | 96.8 | Very high | 96.4 | Very high | 74 Ų | 74 | 94.6 Ų | 94.6 | 40% | 0.396 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -60.2 | -44.6 | 173.7 | -76.4 | 7.9 | 0 | 0 | 0 | 111.6 | K266 T267 T272 I273 E274 | K266-N270 WeakPolarHBondContact O-CB 3.48Å; K266-N270 PolarHBondContact O-N 3.04Å; K266-N270 PolarHBondContact O-OD1 3.35Å; T267-N270 PolarHBondContact O-N 2.88Å; N270-T272 PolarHBondContact O-N 3.46Å; N270-I273 WeakPolarHBondContact O-CB 3.48Å; N270-I273 PolarHBondContact O-N 3.17Å; N270-E274 WeakPolarHBondContact O-CG 3.43Å; N270-E274 PolarHBondContact O-N 2.96Å |
| 271 | R | 97.9 | Very high | 96.7 | Very high | 102 Ų | 102 | 94.9 Ų | 94.9 | 39% | 0.385 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -57.5 | -46.8 | 176.4 | -167.5 | -172.7 | 74.2 | 68.6 | 13.5 | 111.8 | T267 E268 L269 I273 E274 E275 | T267-R271 WeakPolarHBondContact O-CB 3.45Å; T267-R271 PolarHBondContact O-N 3.35Å; E268-R271 WeakPolarHBondContact O-CB 3.48Å; E268-R271 PolarHBondContact O-N 2.97Å; E268-R271 IonicContact OE1-CZ 3.97Å; E268-R271 IonicContact OE1-NE 3.09Å; E268-R271 PolarHBondContact OE1-NE 3.39Å; E268-R271 IonicContact OE1-NH2 3.32Å; E268-R271 PolarHBondContact OE1-NH2 3.01Å; E268-R271 IonicContact OE2-CZ 3.05Å; E268-R271 IonicContact OE2-NE 2.75Å; E268-R271 PolarHBondContact OE2-NE 3.32Å; E268-R271 IonicContact OE2-NH2 3.75Å; L269-R271 VanDerWaalsContact C-N 3.35Å; L269-R271 PolarHBondContact O-N 3.36Å; R271-I273 VanDerWaalsContact C-N 3.35Å; R271-I273 PolarHBondContact O-N 3.15Å; R271-E274 PolarHBondContact O-N 3.4Å; R271-E275 IonicContact CZ-OE1 3.56Å; R271-E275 IonicContact CZ-OE2 2.72Å; R271-E275 IonicContact NH1-OE1 3.54Å; R271-E275 PolarHBondContact NH1-OE1 3.36Å; R271-E275 IonicContact NH1-OE2 2.68Å; R271-E275 PolarHBondContact NH1-OE2 2.86Å; R271-E275 IonicContact NH2-OE2 3.66Å; R271-E275 WeakPolarHBondContact O-CG 3.35Å; R271-E275 PolarHBondContact O-N 2.92Å |
| 272 | T | 97.4 | Very high | 96.9 | Very high | 45 Ų | 45 | 93.4 Ų | 93.4 | 28% | 0.276 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -68.8 | -30.7 | 177.9 | 54.2 | 0 | 0 | 0 | 0 | 113 | E268 L269 N270 L276 | E268-T272 PolarHBondContact O-N 2.88Å; E268-T272 PolarHBondContact O-OG1 3.04Å; L269-T272 WeakPolarHBondContact CA-OG1 3.4Å; L269-T272 PolarHBondContact O-N 2.85Å; L269-T272 PolarHBondContact O-OG1 2.97Å; N270-T272 PolarHBondContact O-N 3.46Å; T272-L276 WeakPolarHBondContact O-CB 3.32Å; T272-L276 WeakPolarHBondContact O-CG 3.3Å; T272-L276 PolarHBondContact O-N 3.04Å |
| 273 | I | 97.3 | Very high | 97.1 | Very high | 85 Ų | 85 | 93.7 Ų | 93.7 | 44% | 0.436 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -65 | -48.4 | 170.8 | -70 | 163.1 | 0 | 0 | 0 | 110.4 | L269 N270 R271 E275 L276 E277 | L269-I273 WeakPolarHBondContact O-CD1 3.36Å; L269-I273 VanDerWaalsContact O-CG1 3.26Å; L269-I273 WeakPolarHBondContact O-CG1 3.3Å; L269-I273 PolarHBondContact O-N 3.19Å; N270-I273 WeakPolarHBondContact O-CB 3.48Å; N270-I273 PolarHBondContact O-N 3.17Å; R271-I273 VanDerWaalsContact C-N 3.35Å; R271-I273 PolarHBondContact O-N 3.15Å; I273-E275 VanDerWaalsContact C-N 3.32Å; I273-E275 PolarHBondContact O-N 2.97Å; I273-L276 PolarHBondContact O-N 2.71Å; I273-E277 HydrophobicContact CG2-CG 4.37Å; I273-E277 WeakPolarHBondContact O-CB 3.45Å; I273-E277 WeakPolarHBondContact O-CG 3.47Å; I273-E277 PolarHBondContact O-N 3.47Å |
| 274 | E | 97.5 | Very high | 97.2 | Very high | 127 Ų | 127 | 93 Ų | 93 | 59% | 0.593 | 48% | 0.478 | S | S | * | . | H | α-helix | trans | -59.3 | -40.7 | 177.6 | -71.9 | 169.5 | -162.3 | 0 | 0 | 112.2 | N270 R271 A278 | N270-E274 WeakPolarHBondContact O-CG 3.43Å; N270-E274 PolarHBondContact O-N 2.96Å; R271-E274 PolarHBondContact O-N 3.4Å; E274-A278 WeakPolarHBondContact O-CB 3.33Å; E274-A278 PolarHBondContact O-N 2.77Å |
| 275 | E | 97.6 | Very high | 97.3 | Very high | 99 Ų | 99 | 94.7 Ų | 94.7 | 46% | 0.463 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -64.2 | -45 | 174.1 | -73.3 | 179 | 147.8 | 0 | 0 | 112.5 | R271 I273 A278 A279 | R271-E275 IonicContact CZ-OE1 3.56Å; R271-E275 IonicContact CZ-OE2 2.72Å; R271-E275 IonicContact NH1-OE1 3.54Å; R271-E275 PolarHBondContact NH1-OE1 3.36Å; R271-E275 IonicContact NH1-OE2 2.68Å; R271-E275 PolarHBondContact NH1-OE2 2.86Å; R271-E275 IonicContact NH2-OE2 3.66Å; R271-E275 WeakPolarHBondContact O-CG 3.35Å; R271-E275 PolarHBondContact O-N 2.92Å; I273-E275 VanDerWaalsContact C-N 3.32Å; I273-E275 PolarHBondContact O-N 2.97Å; E275-A278 PolarHBondContact O-N 3.07Å; E275-A279 WeakPolarHBondContact O-CB 3.32Å; E275-A279 PolarHBondContact O-N 2.63Å |
| 276 | L | 97.6 | Very high | 97.4 | Very high | 123 Ų | 123 | 93 Ų | 93 | 64% | 0.644 | 47% | 0.47 | S | S | * | . | H | α-helix | trans | -67.1 | -37.9 | 178.1 | -73.8 | 170.7 | 0 | 0 | 0 | 112.1 | T272 I273 A279 L280 | T272-L276 WeakPolarHBondContact O-CB 3.32Å; T272-L276 WeakPolarHBondContact O-CG 3.3Å; T272-L276 PolarHBondContact O-N 3.04Å; I273-L276 PolarHBondContact O-N 2.71Å; L276-A279 PolarHBondContact O-N 2.98Å; L276-L280 WeakPolarHBondContact O-CB 3.39Å; L276-L280 PolarHBondContact O-N 3.18Å |
| 277 | E | 97.5 | Very high | 97.4 | Very high | 94 Ų | 94 | 91.7 Ų | 91.7 | 44% | 0.439 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -65.9 | -40.2 | 173.2 | -75.2 | -174.3 | -170.8 | 0 | 0 | 112.3 | I273 L280 R281 | I273-E277 HydrophobicContact CG2-CG 4.37Å; I273-E277 WeakPolarHBondContact O-CB 3.45Å; I273-E277 WeakPolarHBondContact O-CG 3.47Å; I273-E277 PolarHBondContact O-N 3.47Å; E277-L280 PolarHBondContact O-N 3.34Å; E277-R281 WeakPolarHBondContact O-CG 3.25Å; E277-R281 PolarHBondContact O-N 3.19Å; E277-R281 IonicContact OE2-NH1 3.78Å; E277-R281 PolarHBondContact OE2-NH1 3.27Å |
| 278 | A | 97.8 | Very high | 97.5 | Very high | 48 Ų | 48 | 91.9 Ų | 91.9 | 40% | 0.397 | 46% | 0.463 | S | S | . | . | H | α-helix | trans | -65 | -42.2 | 175.3 | 0 | 0 | 0 | 0 | 0 | 111.6 | E274 E275 R281 A282 | E274-A278 WeakPolarHBondContact O-CB 3.33Å; E274-A278 PolarHBondContact O-N 2.77Å; E275-A278 PolarHBondContact O-N 3.07Å; A278-R281 PolarHBondContact O-N 2.98Å; A278-A282 WeakPolarHBondContact O-CB 3.3Å; A278-A282 PolarHBondContact O-N 3.08Å |
| 279 | A | 97.9 | Very high | 97.6 | Very high | 55 Ų | 55 | 94 Ų | 94 | 46% | 0.455 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -64.4 | -38.7 | 174.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | E275 L276 A282 K283 | E275-A279 WeakPolarHBondContact O-CB 3.32Å; E275-A279 PolarHBondContact O-N 2.63Å; L276-A279 PolarHBondContact O-N 2.98Å; A279-A282 PolarHBondContact O-N 2.78Å; A279-K283 PolarHBondContact O-N 2.85Å |
| 280 | L | 97.6 | Very high | 97.7 | Very high | 100 Ų | 100 | 92.8 Ų | 92.8 | 52% | 0.524 | 46% | 0.461 | S | S | . | . | H | α-helix | trans | -63 | -50.6 | 175.1 | -178.2 | 63.6 | 0 | 0 | 0 | 111 | L276 E277 A282 K283 E284 | L276-L280 WeakPolarHBondContact O-CB 3.39Å; L276-L280 PolarHBondContact O-N 3.18Å; E277-L280 PolarHBondContact O-N 3.34Å; L280-A282 VanDerWaalsContact C-N 3.32Å; L280-A282 PolarHBondContact O-N 2.9Å; L280-K283 CarbonylContact O-C 3.59Å; L280-K283 WeakPolarHBondContact O-CA 3.37Å; L280-K283 PolarHBondContact O-N 2.79Å; L280-E284 WeakPolarHBondContact O-CG 3.43Å; L280-E284 PolarHBondContact O-N 3.12Å |
| 281 | R | 98.1 | Very high | 97.7 | Very high | 122 Ų | 122 | 94.7 Ų | 94.7 | 46% | 0.46 | 47% | 0.466 | S | S | . | . | H | α-helix | trans | -56.1 | -45.1 | 176.4 | -73.8 | -176.4 | -69.5 | -100 | 0.1 | 111.9 | E277 A278 K283 E284 E285 | E277-R281 WeakPolarHBondContact O-CG 3.25Å; E277-R281 PolarHBondContact O-N 3.19Å; E277-R281 IonicContact OE2-NH1 3.78Å; E277-R281 PolarHBondContact OE2-NH1 3.27Å; A278-R281 PolarHBondContact O-N 2.98Å; R281-K283 VanDerWaalsContact C-N 3.29Å; R281-K283 PolarHBondContact O-N 3.47Å; R281-E284 PolarHBondContact O-N 3.49Å; R281-E285 PolarHBondContact O-N 2.87Å |
| 282 | A | 98.1 | Very high | 97.7 | Very high | 49 Ų | 49 | 96 Ų | 96 | 41% | 0.405 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -61.7 | -35 | 176.7 | 0 | 0 | 0 | 0 | 0 | 113 | A278 A279 L280 E286 | A278-A282 WeakPolarHBondContact O-CB 3.3Å; A278-A282 PolarHBondContact O-N 3.08Å; A279-A282 PolarHBondContact O-N 2.78Å; L280-A282 VanDerWaalsContact C-N 3.32Å; L280-A282 PolarHBondContact O-N 2.9Å; A282-E286 WeakPolarHBondContact O-CB 3.35Å; A282-E286 PolarHBondContact O-N 3.23Å; A282-E286 VanDerWaalsContact O-N 3.08Å |
| 283 | K | 97.5 | Very high | 97.7 | Very high | 112 Ų | 112 | 100.1 Ų | 100.1 | 49% | 0.487 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -75.7 | -31.1 | 174.1 | -74.7 | -53 | -168.5 | -174.9 | 0 | 113.7 | A279 L280 R281 E286 L287 | A279-K283 PolarHBondContact O-N 2.85Å; L280-K283 CarbonylContact O-C 3.59Å; L280-K283 WeakPolarHBondContact O-CA 3.37Å; L280-K283 PolarHBondContact O-N 2.79Å; R281-K283 VanDerWaalsContact C-N 3.29Å; R281-K283 PolarHBondContact O-N 3.47Å; K283-E286 WeakPolarHBondContact CD-OE2 3.38Å; K283-E286 IonicContact NZ-OE1 3.69Å; K283-E286 PolarHBondContact NZ-OE1 3.02Å; K283-E286 IonicContact NZ-OE2 2.62Å; K283-E286 PolarHBondContact NZ-OE2 3.38Å; K283-E286 PolarHBondContact O-N 2.95Å; K283-L287 WeakPolarHBondContact O-CB 3.48Å; K283-L287 VanDerWaalsContact O-CG 3.3Å; K283-L287 WeakPolarHBondContact O-CG 3.32Å; K283-L287 PolarHBondContact O-N 3.46Å |
| 284 | E | 97.2 | Very high | 97.8 | Very high | 108 Ų | 108 | 100.3 Ų | 100.3 | 51% | 0.505 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -65.8 | -43.2 | 171.4 | -70.3 | 172.1 | 157.5 | 0 | 0 | 111 | L280 R281 L287 E288 | L280-E284 WeakPolarHBondContact O-CG 3.43Å; L280-E284 PolarHBondContact O-N 3.12Å; R281-E284 PolarHBondContact O-N 3.49Å; E284-L287 PolarHBondContact O-N 2.93Å; E284-E288 PolarHBondContact O-N 3.3Å |
| 285 | E | 98.1 | Very high | 97.8 | Very high | 112 Ų | 112 | 101.5 Ų | 101.5 | 52% | 0.523 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -63.7 | -39.4 | 172.9 | -70.1 | 177.8 | -163.1 | 0 | 0 | 113.4 | R281 E288 R289 | R281-E285 PolarHBondContact O-N 2.87Å; E285-E288 PolarHBondContact O-N 3.19Å; E285-R289 WeakPolarHBondContact O-CG 3.49Å; E285-R289 PolarHBondContact O-N 3.2Å; E285-R289 VanDerWaalsContact O-N 3.09Å; E285-R289 IonicContact OE2-NH1 2.71Å |
| 286 | E | 98.1 | Very high | 97.8 | Very high | 79 Ų | 79 | 99.3 Ų | 99.3 | 37% | 0.369 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -64.4 | -41.1 | 174.9 | -172.9 | -179 | 141.1 | 0 | 0 | 111.5 | A282 K283 L290 | A282-E286 WeakPolarHBondContact O-CB 3.35Å; A282-E286 PolarHBondContact O-N 3.23Å; A282-E286 VanDerWaalsContact O-N 3.08Å; K283-E286 WeakPolarHBondContact CD-OE2 3.38Å; K283-E286 IonicContact NZ-OE1 3.69Å; K283-E286 PolarHBondContact NZ-OE1 3.02Å; K283-E286 IonicContact NZ-OE2 2.62Å; K283-E286 PolarHBondContact NZ-OE2 3.38Å; K283-E286 PolarHBondContact O-N 2.95Å; E286-L290 HydrophobicContact CG-CD1 4.29Å; E286-L290 WeakPolarHBondContact O-CB 3.46Å; E286-L290 VanDerWaalsContact O-CG 3.3Å; E286-L290 WeakPolarHBondContact O-CG 3.46Å; E286-L290 PolarHBondContact O-N 3.39Å |
| 287 | L | 96.8 | Very high | 97.8 | Very high | 103 Ų | 103 | 96.1 Ų | 96.1 | 54% | 0.539 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -64.5 | -37.3 | 174.7 | -76.9 | 170.8 | 0 | 0 | 0 | 112.5 | K283 E284 L290 K291 | K283-L287 WeakPolarHBondContact O-CB 3.48Å; K283-L287 VanDerWaalsContact O-CG 3.3Å; K283-L287 WeakPolarHBondContact O-CG 3.32Å; K283-L287 PolarHBondContact O-N 3.46Å; E284-L287 PolarHBondContact O-N 2.93Å; L287-L290 PolarHBondContact O-N 3.35Å; L287-K291 WeakPolarHBondContact O-CG 3.39Å; L287-K291 PolarHBondContact O-N 2.95Å |
| 288 | E | 97.8 | Very high | 97.8 | Very high | 95 Ų | 95 | 96.1 Ų | 96.1 | 44% | 0.444 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -68.3 | -46.2 | 177.5 | -152.4 | 63.1 | -152 | 0 | 0 | 111.5 | E284 E285 L290 K291 E292 | E284-E288 PolarHBondContact O-N 3.3Å; E285-E288 PolarHBondContact O-N 3.19Å; E288-L290 VanDerWaalsContact C-N 3.28Å; E288-L290 PolarHBondContact O-N 2.98Å; E288-K291 WeakPolarHBondContact O-CB 3.41Å; E288-K291 PolarHBondContact O-N 3.32Å; E288-K291 IonicContact OE1-NZ 2.66Å; E288-K291 IonicContact OE2-NZ 3.58Å; E288-K291 PolarHBondContact OE2-NZ 2.93Å; E288-E292 PolarHBondContact O-N 2.93Å |
| 289 | R | 98.3 | Very high | 97.8 | Very high | 134 Ų | 134 | 99.4 Ų | 99.4 | 51% | 0.506 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -56.2 | -41.1 | 173.5 | -72.8 | -175.5 | -70.7 | -104.1 | -2.8 | 112.4 | E285 E292 E293 | E285-R289 WeakPolarHBondContact O-CG 3.49Å; E285-R289 PolarHBondContact O-N 3.2Å; E285-R289 VanDerWaalsContact O-N 3.09Å; E285-R289 IonicContact OE2-NH1 2.71Å; R289-E292 PolarHBondContact O-N 3.19Å; R289-E293 PolarHBondContact O-N 2.99Å |
| 290 | L | 98.1 | Very high | 97.8 | Very high | 82 Ų | 82 | 103.1 Ų | 103.1 | 43% | 0.429 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -69.2 | -29.6 | 177 | -73.1 | 170.9 | 0 | 0 | 0 | 113.1 | E286 L287 E288 V294 | E286-L290 HydrophobicContact CG-CD1 4.29Å; E286-L290 WeakPolarHBondContact O-CB 3.46Å; E286-L290 VanDerWaalsContact O-CG 3.3Å; E286-L290 WeakPolarHBondContact O-CG 3.46Å; E286-L290 PolarHBondContact O-N 3.39Å; L287-L290 PolarHBondContact O-N 3.35Å; E288-L290 VanDerWaalsContact C-N 3.28Å; E288-L290 PolarHBondContact O-N 2.98Å; L290-V294 WeakPolarHBondContact O-CB 3.48Å; L290-V294 VanDerWaalsContact O-CG2 3.25Å; L290-V294 WeakPolarHBondContact O-CG2 3.33Å; L290-V294 PolarHBondContact O-N 3Å |
| 291 | K | 97.8 | Very high | 97.8 | Very high | 115 Ų | 115 | 104.2 Ų | 104.2 | 50% | 0.5 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -67.8 | -45.7 | 171.1 | -69.9 | 169.5 | -162.3 | 163.1 | 0 | 111.1 | L287 E288 E293 V294 E295 | L287-K291 WeakPolarHBondContact O-CG 3.39Å; L287-K291 PolarHBondContact O-N 2.95Å; E288-K291 WeakPolarHBondContact O-CB 3.41Å; E288-K291 PolarHBondContact O-N 3.32Å; E288-K291 IonicContact OE1-NZ 2.66Å; E288-K291 IonicContact OE2-NZ 3.58Å; E288-K291 PolarHBondContact OE2-NZ 2.93Å; K291-E293 VanDerWaalsContact C-N 3.3Å; K291-E293 PolarHBondContact O-N 3.48Å; K291-V294 PolarHBondContact O-N 3.38Å; K291-E295 PolarHBondContact O-N 3.19Å |
| 292 | E | 98 | Very high | 97.8 | Very high | 129 Ų | 129 | 105.3 Ų | 105.3 | 60% | 0.603 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -58.4 | -43.3 | 176.7 | -67.2 | 176.2 | 166.2 | 0 | 0 | 111.1 | E288 R289 E295 S296 | E288-E292 PolarHBondContact O-N 2.93Å; R289-E292 PolarHBondContact O-N 3.19Å; E292-E295 PolarHBondContact O-N 3.35Å; E292-S296 WeakPolarHBondContact O-CB 3.4Å; E292-S296 PolarHBondContact O-N 3.47Å |
| 293 | E | 98.1 | Very high | 97.8 | Very high | 131 Ų | 131 | 107 Ų | 107 | 61% | 0.612 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -62.7 | -42.6 | 174.9 | -171.1 | 178.8 | 173.8 | 0 | 0 | 112.2 | R289 K291 S296 A297 | R289-E293 PolarHBondContact O-N 2.99Å; K291-E293 VanDerWaalsContact C-N 3.3Å; K291-E293 PolarHBondContact O-N 3.48Å; E293-S296 PolarHBondContact O-N 3.47Å; E293-A297 VanDerWaalsContact O-CB 3.31Å; E293-A297 WeakPolarHBondContact O-CB 3.42Å; E293-A297 PolarHBondContact O-N 3.24Å |
| 294 | V | 97.9 | Very high | 97.8 | Very high | 89 Ų | 89 | 108.3 Ų | 108.3 | 54% | 0.539 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -66.4 | -37.9 | 175.9 | 166.9 | 0 | 0 | 0 | 0 | 112 | L290 K291 N298 | L290-V294 WeakPolarHBondContact O-CB 3.48Å; L290-V294 VanDerWaalsContact O-CG2 3.25Å; L290-V294 WeakPolarHBondContact O-CG2 3.33Å; L290-V294 PolarHBondContact O-N 3Å; K291-V294 PolarHBondContact O-N 3.38Å; V294-N298 WeakPolarHBondContact O-CB 3.49Å; V294-N298 PolarHBondContact O-N 3.45Å; V294-N298 PolarHBondContact O-ND2 3.26Å |
| 295 | E | 97.6 | Very high | 97.9 | Very high | 153 Ų | 153 | 107.1 Ų | 107.1 | 72% | 0.715 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -65 | -47.9 | 175.7 | -170 | 166 | -47.8 | 0 | 0 | 110.8 | K291 E292 A297 N298 E299 | K291-E295 PolarHBondContact O-N 3.19Å; E292-E295 PolarHBondContact O-N 3.35Å; E295-A297 PolarHBondContact O-N 3.5Å; E295-N298 WeakPolarHBondContact O-CB 3.48Å; E295-N298 PolarHBondContact O-N 2.88Å; E295-N298 VanDerWaalsContact O-N 3.14Å; E295-E299 PolarHBondContact O-N 3.38Å |
| 296 | S | 98 | Very high | 97.9 | Very high | 52 Ų | 52 | 104.3 Ų | 104.3 | 36% | 0.364 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -58.2 | -44.8 | 174.3 | -176.4 | 0 | 0 | 0 | 0 | 112.4 | E292 E293 N298 E299 F300 | E292-S296 WeakPolarHBondContact O-CB 3.4Å; E292-S296 PolarHBondContact O-N 3.47Å; E293-S296 PolarHBondContact O-N 3.47Å; S296-N298 VanDerWaalsContact C-N 3.31Å; S296-N298 PolarHBondContact O-N 2.89Å; S296-E299 PolarHBondContact O-N 2.95Å; S296-F300 WeakPolarHBondContact O-CD2 3.21Å; S296-F300 PolarHBondContact O-N 3.01Å; S296-F300 WeakPolarHBondContact OG-CE2 3.38Å |
| 297 | A | 97.6 | Very high | 97.9 | Very high | 56 Ų | 56 | 106 Ų | 106 | 46% | 0.463 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -62.6 | -35.9 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.8 | E293 E295 K301 | E293-A297 VanDerWaalsContact O-CB 3.31Å; E293-A297 WeakPolarHBondContact O-CB 3.42Å; E293-A297 PolarHBondContact O-N 3.24Å; E295-A297 PolarHBondContact O-N 3.5Å; A297-K301 WeakPolarHBondContact O-CB 3.38Å; A297-K301 PolarHBondContact O-N 2.95Å |
| 298 | N | 97.6 | Very high | 98 | Very high | 95 Ų | 95 | 104.9 Ų | 104.9 | 51% | 0.508 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -69.2 | -38 | 173.8 | -77 | -52.7 | 0 | 0 | 0 | 112.1 | V294 E295 S296 K301 F302 | V294-N298 WeakPolarHBondContact O-CB 3.49Å; V294-N298 PolarHBondContact O-N 3.45Å; V294-N298 PolarHBondContact O-ND2 3.26Å; E295-N298 WeakPolarHBondContact O-CB 3.48Å; E295-N298 PolarHBondContact O-N 2.88Å; E295-N298 VanDerWaalsContact O-N 3.14Å; S296-N298 VanDerWaalsContact C-N 3.31Å; S296-N298 PolarHBondContact O-N 2.89Å; N298-K301 PolarHBondContact O-N 2.94Å; N298-F302 PolarHBondContact O-N 3.42Å |
| 299 | E | 98.1 | Very high | 98 | Very high | 117 Ų | 117 | 105 Ų | 105 | 55% | 0.547 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -64.5 | -48.5 | 174.7 | -162.5 | -169 | 159.5 | 0 | 0 | 111.3 | E295 S296 K301 F302 Q303 | E295-E299 PolarHBondContact O-N 3.38Å; S296-E299 PolarHBondContact O-N 2.95Å; E299-K301 VanDerWaalsContact C-N 3.25Å; E299-K301 PolarHBondContact O-N 3.3Å; E299-F302 WeakPolarHBondContact O-CB 3.31Å; E299-F302 PolarHBondContact O-N 2.98Å; E299-F302 VanDerWaalsContact O-N 3.09Å; E299-Q303 WeakPolarHBondContact O-CG 3.43Å; E299-Q303 PolarHBondContact O-N 2.83Å; E299-Q303 PolarHBondContact OE1-NE2 3.44Å |
| 300 | F | 97.5 | Very high | 98 | Very high | 132 Ų | 132 | 104.3 Ų | 104.3 | 58% | 0.579 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -58.4 | -37.7 | 175 | -78.6 | -60.1 | 0 | 0 | 0 | 112.5 | S296 Q303 K304 | S296-F300 WeakPolarHBondContact O-CD2 3.21Å; S296-F300 PolarHBondContact O-N 3.01Å; S296-F300 WeakPolarHBondContact OG-CE2 3.38Å; F300-Q303 PolarHBondContact O-N 2.71Å; F300-K304 WeakPolarHBondContact O-CB 3.49Å; F300-K304 PolarHBondContact O-N 3.05Å |
| 301 | K | 97.9 | Very high | 98 | Very high | 124 Ų | 124 | 105 Ų | 105 | 54% | 0.539 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -63.3 | -47 | 173.6 | -176.2 | -175.9 | 173.4 | -170.7 | 0 | 111.5 | A297 N298 E299 Q303 K304 D305 | A297-K301 WeakPolarHBondContact O-CB 3.38Å; A297-K301 PolarHBondContact O-N 2.95Å; N298-K301 PolarHBondContact O-N 2.94Å; E299-K301 VanDerWaalsContact C-N 3.25Å; E299-K301 PolarHBondContact O-N 3.3Å; K301-Q303 VanDerWaalsContact C-N 3.34Å; K301-Q303 PolarHBondContact O-N 3.34Å; K301-K304 WeakPolarHBondContact O-CB 3.26Å; K301-K304 PolarHBondContact O-N 2.74Å; K301-D305 WeakPolarHBondContact O-CB 3.45Å; K301-D305 VanDerWaalsContact O-CG 3.27Å; K301-D305 PolarHBondContact O-N 2.97Å |
| 302 | F | 97.9 | Very high | 98 | Very high | 145 Ų | 145 | 106.1 Ų | 106.1 | 64% | 0.636 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -60.8 | -41.6 | 176.9 | 178.1 | -97.9 | 0 | 0 | 0 | 112.3 | N298 E299 D305 T306 | N298-F302 PolarHBondContact O-N 3.42Å; E299-F302 WeakPolarHBondContact O-CB 3.31Å; E299-F302 PolarHBondContact O-N 2.98Å; E299-F302 VanDerWaalsContact O-N 3.09Å; F302-D305 PolarHBondContact O-N 2.67Å; F302-T306 WeakPolarHBondContact O-CB 3.45Å; F302-T306 PolarHBondContact O-N 3.17Å; F302-T306 PolarHBondContact O-OG1 3.19Å |
| 303 | Q | 98.2 | Very high | 98 | Very high | 83 Ų | 83 | 105.2 Ų | 105.2 | 39% | 0.388 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -62.9 | -44.8 | 174.3 | -67.4 | 179.4 | 17.3 | 0 | 0 | 111.4 | E299 F300 K301 T306 L307 | E299-Q303 WeakPolarHBondContact O-CG 3.43Å; E299-Q303 PolarHBondContact O-N 2.83Å; E299-Q303 PolarHBondContact OE1-NE2 3.44Å; F300-Q303 PolarHBondContact O-N 2.71Å; K301-Q303 VanDerWaalsContact C-N 3.34Å; K301-Q303 PolarHBondContact O-N 3.34Å; Q303-T306 PolarHBondContact O-N 3.41Å; Q303-L307 WeakPolarHBondContact O-CG 3.47Å; Q303-L307 PolarHBondContact O-N 3.39Å |
| 304 | K | 98.3 | Very high | 98 | Very high | 140 Ų | 140 | 102.1 Ų | 102.1 | 61% | 0.609 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -60.2 | -46.8 | 175.5 | 178.2 | -174.5 | 174.9 | -178.5 | 0 | 112.1 | F300 K301 T306 L307 T308 | F300-K304 WeakPolarHBondContact O-CB 3.49Å; F300-K304 PolarHBondContact O-N 3.05Å; K301-K304 WeakPolarHBondContact O-CB 3.26Å; K301-K304 PolarHBondContact O-N 2.74Å; K304-T306 VanDerWaalsContact C-N 3.32Å; K304-T306 PolarHBondContact O-N 2.89Å; K304-L307 PolarHBondContact O-N 3.41Å; K304-T308 WeakPolarHBondContact O-CB 3.32Å; K304-T308 PolarHBondContact O-N 2.77Å; K304-T308 PolarHBondContact O-OG1 2.94Å |
| 305 | D | 98.1 | Very high | 98 | Very high | 84 Ų | 84 | 102.5 Ų | 102.5 | 45% | 0.449 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -64.9 | -40.3 | -179.3 | -67.9 | -16.4 | 0 | 0 | 0 | 110.2 | K301 F302 T308 Q309 | K301-D305 WeakPolarHBondContact O-CB 3.45Å; K301-D305 VanDerWaalsContact O-CG 3.27Å; K301-D305 PolarHBondContact O-N 2.97Å; F302-D305 PolarHBondContact O-N 2.67Å; D305-T308 PolarHBondContact O-N 3.2Å; D305-Q309 PolarHBondContact O-N 3.23Å |
| 306 | T | 98.4 | Very high | 98.1 | Very high | 52 Ų | 52 | 98.2 Ų | 98.2 | 32% | 0.319 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -62.1 | -45.1 | 173.9 | -59.5 | 0 | 0 | 0 | 0 | 112.8 | F302 Q303 K304 Q309 K310 | F302-T306 WeakPolarHBondContact O-CB 3.45Å; F302-T306 PolarHBondContact O-N 3.17Å; F302-T306 PolarHBondContact O-OG1 3.19Å; Q303-T306 PolarHBondContact O-N 3.41Å; K304-T306 VanDerWaalsContact C-N 3.32Å; K304-T306 PolarHBondContact O-N 2.89Å; T306-Q309 PolarHBondContact O-N 3.02Å; T306-K310 WeakPolarHBondContact O-CG 3.48Å; T306-K310 PolarHBondContact O-N 3.44Å; T306-K310 VanDerWaalsContact O-N 3.09Å |
| 307 | L | 98.1 | Very high | 98.1 | Very high | 116 Ų | 116 | 102.8 Ų | 102.8 | 61% | 0.607 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -66.1 | -39.3 | 176.6 | -73.1 | 172.6 | 0 | 0 | 0 | 111.7 | Q303 K304 Q309 K310 L311 | Q303-L307 WeakPolarHBondContact O-CG 3.47Å; Q303-L307 PolarHBondContact O-N 3.39Å; K304-L307 PolarHBondContact O-N 3.41Å; L307-Q309 VanDerWaalsContact C-N 3.34Å; L307-Q309 PolarHBondContact O-N 2.92Å; L307-K310 PolarHBondContact O-N 3.35Å; L307-L311 WeakPolarHBondContact O-CB 3.39Å; L307-L311 PolarHBondContact O-N 3.49Å |
| 308 | T | 98.1 | Very high | 98.1 | Very high | 78 Ų | 78 | 103.5 Ų | 103.5 | 48% | 0.479 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -62.4 | -41.5 | 176.4 | -55.3 | 0 | 0 | 0 | 0 | 111.4 | K304 D305 L311 K312 | K304-T308 WeakPolarHBondContact O-CB 3.32Å; K304-T308 PolarHBondContact O-N 2.77Å; K304-T308 PolarHBondContact O-OG1 2.94Å; D305-T308 PolarHBondContact O-N 3.2Å; T308-L311 PolarHBondContact O-N 3.04Å; T308-K312 PolarHBondContact O-N 3.38Å; T308-K312 VanDerWaalsContact O-N 3.08Å |
| 309 | Q | 98.3 | Very high | 98.1 | Very high | 97 Ų | 97 | 105 Ų | 105 | 45% | 0.453 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -64 | -47.1 | 175.3 | 179.8 | 59.6 | 25.7 | 0 | 0 | 111.9 | D305 T306 L307 L311 K312 E313 | D305-Q309 PolarHBondContact O-N 3.23Å; T306-Q309 PolarHBondContact O-N 3.02Å; L307-Q309 VanDerWaalsContact C-N 3.34Å; L307-Q309 PolarHBondContact O-N 2.92Å; Q309-L311 VanDerWaalsContact C-N 3.32Å; Q309-L311 PolarHBondContact O-N 3.16Å; Q309-K312 PolarHBondContact O-N 2.75Å; Q309-E313 WeakPolarHBondContact CG-OE1 3.42Å; Q309-E313 PolarHBondContact NE2-OE1 2.99Å; Q309-E313 WeakPolarHBondContact O-CG 3.46Å; Q309-E313 PolarHBondContact O-N 2.85Å |
| 310 | K | 98.3 | Very high | 98.1 | Very high | 121 Ų | 121 | 102.9 Ų | 102.9 | 53% | 0.526 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -61.9 | -36.9 | 176.5 | -74.1 | -178.8 | 178.2 | -178.7 | 0 | 113.1 | T306 L307 T314 | T306-K310 WeakPolarHBondContact O-CG 3.48Å; T306-K310 PolarHBondContact O-N 3.44Å; T306-K310 VanDerWaalsContact O-N 3.09Å; L307-K310 PolarHBondContact O-N 3.35Å; K310-T314 WeakPolarHBondContact O-CB 3.46Å; K310-T314 PolarHBondContact O-N 3.38Å; K310-T314 PolarHBondContact O-OG1 3.47Å |
| 311 | L | 98.2 | Very high | 98.1 | Very high | 97 Ų | 97 | 99.8 Ų | 99.8 | 51% | 0.508 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -61.1 | -52.6 | 174.3 | 178.5 | 62.9 | 0 | 0 | 0 | 110 | L307 T308 Q309 E313 T314 E315 | L307-L311 WeakPolarHBondContact O-CB 3.39Å; L307-L311 PolarHBondContact O-N 3.49Å; T308-L311 PolarHBondContact O-N 3.04Å; Q309-L311 VanDerWaalsContact C-N 3.32Å; Q309-L311 PolarHBondContact O-N 3.16Å; L311-E313 VanDerWaalsContact C-N 3.33Å; L311-E313 PolarHBondContact O-N 3.04Å; L311-T314 CarbonylContact O-C 3.5Å; L311-T314 WeakPolarHBondContact O-CA 3.28Å; L311-T314 WeakPolarHBondContact O-CB 3.39Å; L311-T314 PolarHBondContact O-N 3.34Å; L311-E315 HydrophobicContact CD1-CG 4.32Å; L311-E315 HydrophobicContact CG-CG 4.43Å; L311-E315 WeakPolarHBondContact O-CG 3.34Å; L311-E315 PolarHBondContact O-N 3.21Å |
| 312 | K | 98.2 | Very high | 98.2 | Very high | 138 Ų | 138 | 99.8 Ų | 99.8 | 60% | 0.6 | 49% | 0.49 | S | S | * | . | H | α-helix | trans | -59.6 | -39.2 | 179.2 | -173.5 | 179.3 | 179.3 | -177.8 | 0 | 113.5 | T308 Q309 T314 S316 | T308-K312 PolarHBondContact O-N 3.38Å; T308-K312 VanDerWaalsContact O-N 3.08Å; Q309-K312 PolarHBondContact O-N 2.75Å; K312-T314 VanDerWaalsContact C-N 3.35Å; K312-S316 WeakPolarHBondContact O-CB 3.35Å; K312-S316 PolarHBondContact O-N 3.48Å |
| 313 | E | 98.3 | Very high | 98.2 | Very high | 110 Ų | 110 | 95.8 Ų | 95.8 | 51% | 0.514 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -63.7 | -40.7 | 173.2 | -74.7 | 169.3 | -169.3 | 0 | 0 | 111.8 | Q309 L311 R317 | Q309-E313 WeakPolarHBondContact CG-OE1 3.42Å; Q309-E313 PolarHBondContact NE2-OE1 2.99Å; Q309-E313 WeakPolarHBondContact O-CG 3.46Å; Q309-E313 PolarHBondContact O-N 2.85Å; L311-E313 VanDerWaalsContact C-N 3.33Å; L311-E313 PolarHBondContact O-N 3.04Å; E313-R317 WeakPolarHBondContact O-CB 3.39Å; E313-R317 PolarHBondContact O-N 3.05Å |
| 314 | T | 97.7 | Very high | 98.2 | Very high | 66 Ų | 66 | 97 Ų | 97 | 41% | 0.405 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -68.8 | -41.9 | 177.5 | -55.7 | 0 | 0 | 0 | 0 | 111.7 | K310 L311 K312 R317 N318 | K310-T314 WeakPolarHBondContact O-CB 3.46Å; K310-T314 PolarHBondContact O-N 3.38Å; K310-T314 PolarHBondContact O-OG1 3.47Å; L311-T314 CarbonylContact O-C 3.5Å; L311-T314 WeakPolarHBondContact O-CA 3.28Å; L311-T314 WeakPolarHBondContact O-CB 3.39Å; L311-T314 PolarHBondContact O-N 3.34Å; K312-T314 VanDerWaalsContact C-N 3.35Å; T314-R317 PolarHBondContact O-N 3.03Å; T314-N318 PolarHBondContact O-N 3.09Å |
| 315 | E | 98.2 | Very high | 98.2 | Very high | 96 Ų | 96 | 95.1 Ų | 95.1 | 45% | 0.449 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -60.3 | -48.1 | 174.4 | -72.2 | 170.6 | 167.5 | 0 | 0 | 111.5 | L311 R317 N318 Q319 | L311-E315 HydrophobicContact CD1-CG 4.32Å; L311-E315 HydrophobicContact CG-CG 4.43Å; L311-E315 WeakPolarHBondContact O-CG 3.34Å; L311-E315 PolarHBondContact O-N 3.21Å; E315-R317 VanDerWaalsContact C-N 3.31Å; E315-R317 PolarHBondContact O-N 3.29Å; E315-N318 PolarHBondContact O-N 2.72Å; E315-Q319 WeakPolarHBondContact O-CG 3.42Å; E315-Q319 PolarHBondContact O-N 2.9Å |
| 316 | S | 98.3 | Very high | 98.2 | Very high | 63 Ų | 63 | 94.5 Ų | 94.5 | 44% | 0.441 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -62.8 | -37.2 | 177.2 | -179.1 | 0 | 0 | 0 | 0 | 112.4 | K312 T320 | K312-S316 WeakPolarHBondContact O-CB 3.35Å; K312-S316 PolarHBondContact O-N 3.48Å; S316-T320 PolarHBondContact O-N 3.05Å; S316-T320 VanDerWaalsContact O-N 3.07Å; S316-T320 PolarHBondContact O-OG1 3.15Å |
| 317 | R | 98.3 | Very high | 98.2 | Very high | 149 Ų | 149 | 94.8 Ų | 94.8 | 56% | 0.562 | 49% | 0.487 | S | S | * | . | H | α-helix | trans | -67.9 | -39.3 | 174.3 | -165.4 | -179.5 | 69.2 | 83.1 | 7.9 | 112 | E313 T314 E315 T320 L321 | E313-R317 WeakPolarHBondContact O-CB 3.39Å; E313-R317 PolarHBondContact O-N 3.05Å; T314-R317 PolarHBondContact O-N 3.03Å; E315-R317 VanDerWaalsContact C-N 3.31Å; E315-R317 PolarHBondContact O-N 3.29Å; R317-T320 PolarHBondContact O-N 2.99Å; R317-L321 WeakPolarHBondContact O-CG 3.28Å; R317-L321 PolarHBondContact O-N 3.44Å |
| 318 | N | 98.3 | Very high | 98.1 | Very high | 70 Ų | 70 | 94.1 Ų | 94.1 | 37% | 0.374 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -64.3 | -47.5 | 174.6 | -78.5 | -2.9 | 0 | 0 | 0 | 111.4 | T314 E315 T320 L321 E322 | T314-N318 PolarHBondContact O-N 3.09Å; E315-N318 PolarHBondContact O-N 2.72Å; N318-T320 PolarHBondContact O-N 3.41Å; N318-L321 CarbonylContact O-C 3.57Å; N318-L321 WeakPolarHBondContact O-CA 3.5Å; N318-L321 PolarHBondContact O-N 2.93Å; N318-E322 WeakPolarHBondContact O-CG 3.34Å; N318-E322 PolarHBondContact O-N 2.97Å |
| 319 | Q | 98.3 | Very high | 98.1 | Very high | 126 Ų | 126 | 96.6 Ų | 96.6 | 59% | 0.589 | 49% | 0.49 | S | S | * | . | H | α-helix | trans | -55.6 | -38.6 | 174.6 | -72 | 171.1 | -5.6 | 0 | 0 | 112.4 | E315 A323 | E315-Q319 WeakPolarHBondContact O-CG 3.42Å; E315-Q319 PolarHBondContact O-N 2.9Å; Q319-A323 WeakPolarHBondContact O-CB 3.21Å; Q319-A323 PolarHBondContact O-N 3.37Å |
| 320 | T | 98.1 | Very high | 98.1 | Very high | 73 Ų | 73 | 98.4 Ų | 98.4 | 45% | 0.448 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -66.5 | -41.2 | 175.9 | -55.4 | 0 | 0 | 0 | 0 | 111.8 | S316 R317 N318 Q324 | S316-T320 PolarHBondContact O-N 3.05Å; S316-T320 VanDerWaalsContact O-N 3.07Å; S316-T320 PolarHBondContact O-OG1 3.15Å; R317-T320 PolarHBondContact O-N 2.99Å; N318-T320 PolarHBondContact O-N 3.41Å; T320-Q324 WeakPolarHBondContact O-CG 3.43Å; T320-Q324 PolarHBondContact O-N 2.68Å |
| 321 | L | 97.9 | Very high | 98.1 | Very high | 68 Ų | 68 | 100 Ų | 100 | 36% | 0.356 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -69.7 | -39.1 | 177 | -71.7 | 170.6 | 0 | 0 | 0 | 112.3 | R317 N318 Q324 L325 | R317-L321 WeakPolarHBondContact O-CG 3.28Å; R317-L321 PolarHBondContact O-N 3.44Å; N318-L321 CarbonylContact O-C 3.57Å; N318-L321 WeakPolarHBondContact O-CA 3.5Å; N318-L321 PolarHBondContact O-N 2.93Å; L321-Q324 PolarHBondContact O-N 3.08Å; L321-L325 WeakPolarHBondContact O-CB 3.28Å; L321-L325 WeakPolarHBondContact O-CG 3.43Å; L321-L325 PolarHBondContact O-N 3.14Å |
| 322 | E | 98.1 | Very high | 98.1 | Very high | 123 Ų | 123 | 100.3 Ų | 100.3 | 58% | 0.575 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -61.3 | -44.1 | 174.3 | -72.9 | 165.9 | -174.9 | 0 | 0 | 111 | N318 Q324 L325 S326 | N318-E322 WeakPolarHBondContact O-CG 3.34Å; N318-E322 PolarHBondContact O-N 2.97Å; E322-Q324 PolarHBondContact O-N 3.49Å; E322-L325 PolarHBondContact O-N 2.9Å; E322-S326 WeakPolarHBondContact O-CB 3.47Å; E322-S326 PolarHBondContact O-N 3.3Å |
| 323 | A | 98.1 | Very high | 98.1 | Very high | 62 Ų | 62 | 99.5 Ų | 99.5 | 51% | 0.512 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -63.6 | -39.4 | 174.3 | 0 | 0 | 0 | 0 | 0 | 112.7 | Q319 S326 D327 | Q319-A323 WeakPolarHBondContact O-CB 3.21Å; Q319-A323 PolarHBondContact O-N 3.37Å; A323-S326 PolarHBondContact O-N 3.17Å; A323-D327 PolarHBondContact O-N 3.39Å; A323-D327 VanDerWaalsContact O-N 3.08Å |
| 324 | Q | 98.3 | Very high | 98 | Very high | 107 Ų | 107 | 97 Ų | 97 | 50% | 0.5 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -67.2 | -39.8 | 175 | -76.1 | 177.1 | -10.4 | 0 | 0 | 112.6 | T320 L321 E322 L328 | T320-Q324 WeakPolarHBondContact O-CG 3.43Å; T320-Q324 PolarHBondContact O-N 2.68Å; L321-Q324 PolarHBondContact O-N 3.08Å; E322-Q324 PolarHBondContact O-N 3.49Å; Q324-L328 WeakPolarHBondContact O-CB 3.5Å; Q324-L328 VanDerWaalsContact O-CG 3.29Å; Q324-L328 WeakPolarHBondContact O-CG 3.41Å; Q324-L328 PolarHBondContact O-N 3.1Å |
| 325 | L | 98.1 | Very high | 98 | Very high | 102 Ų | 102 | 97 Ų | 97 | 53% | 0.534 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -62.8 | -45.9 | 174.8 | -75.5 | 169 | 0 | 0 | 0 | 110.8 | L321 E322 D327 L328 E329 | L321-L325 WeakPolarHBondContact O-CB 3.28Å; L321-L325 WeakPolarHBondContact O-CG 3.43Å; L321-L325 PolarHBondContact O-N 3.14Å; E322-L325 PolarHBondContact O-N 2.9Å; L325-D327 PolarHBondContact O-N 3.27Å; L325-L328 PolarHBondContact O-N 2.9Å; L325-E329 WeakPolarHBondContact O-CB 3.48Å; L325-E329 WeakPolarHBondContact O-CG 3.31Å; L325-E329 PolarHBondContact O-N 2.99Å |
| 326 | S | 98.2 | Very high | 98 | Very high | 70 Ų | 70 | 97.7 Ų | 97.7 | 49% | 0.49 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -62.2 | -40.9 | 178.5 | -174.4 | 0 | 0 | 0 | 0 | 113.1 | E322 A323 E329 Q330 | E322-S326 WeakPolarHBondContact O-CB 3.47Å; E322-S326 PolarHBondContact O-N 3.3Å; A323-S326 PolarHBondContact O-N 3.17Å; S326-E329 PolarHBondContact O-N 3.31Å; S326-Q330 WeakPolarHBondContact O-CB 3.49Å; S326-Q330 PolarHBondContact O-N 3.37Å |
| 327 | D | 98.3 | Very high | 98 | Very high | 59 Ų | 59 | 99.7 Ų | 99.7 | 32% | 0.316 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -63.7 | -40.1 | 173 | 167.3 | 74 | 0 | 0 | 0 | 112.2 | A323 L325 R331 | A323-D327 PolarHBondContact O-N 3.39Å; A323-D327 VanDerWaalsContact O-N 3.08Å; L325-D327 PolarHBondContact O-N 3.27Å; D327-R331 VanDerWaalsContact CG-NE 3.25Å; D327-R331 WeakPolarHBondContact O-CB 3.4Å; D327-R331 WeakPolarHBondContact O-CG 3.3Å; D327-R331 PolarHBondContact O-N 3.02Å; D327-R331 IonicContact OD1-CZ 3.01Å; D327-R331 IonicContact OD1-NE 3.07Å; D327-R331 PolarHBondContact OD1-NE 2.95Å; D327-R331 IonicContact OD1-NH2 2.83Å; D327-R331 PolarHBondContact OD1-NH2 3.09Å; D327-R331 IonicContact OD2-CZ 2.6Å; D327-R331 IonicContact OD2-NE 3.83Å; D327-R331 PolarHBondContact OD2-NE 2.91Å; D327-R331 IonicContact OD2-NH1 2.79Å; D327-R331 IonicContact OD2-NH2 3.2Å; D327-R331 PolarHBondContact OD2-NH2 3.44Å |
| 328 | L | 97.7 | Very high | 97.9 | Very high | 102 Ų | 102 | 98.5 Ų | 98.5 | 53% | 0.534 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -68.6 | -40 | 176 | -71.9 | 173.4 | 0 | 0 | 0 | 112.6 | Q324 L325 R331 L332 | Q324-L328 WeakPolarHBondContact O-CB 3.5Å; Q324-L328 VanDerWaalsContact O-CG 3.29Å; Q324-L328 WeakPolarHBondContact O-CG 3.41Å; Q324-L328 PolarHBondContact O-N 3.1Å; L325-L328 PolarHBondContact O-N 2.9Å; L328-R331 PolarHBondContact O-N 2.89Å; L328-L332 WeakPolarHBondContact O-CB 3.34Å; L328-L332 PolarHBondContact O-N 2.95Å |
| 329 | E | 97.6 | Very high | 97.9 | Very high | 130 Ų | 130 | 104.2 Ų | 104.2 | 61% | 0.607 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -61.8 | -47.2 | 174.3 | -74.7 | 173 | 165.1 | 0 | 0 | 110.9 | L325 S326 R331 L332 E333 | L325-E329 WeakPolarHBondContact O-CB 3.48Å; L325-E329 WeakPolarHBondContact O-CG 3.31Å; L325-E329 PolarHBondContact O-N 2.99Å; S326-E329 PolarHBondContact O-N 3.31Å; E329-R331 PolarHBondContact O-N 3.31Å; E329-L332 WeakPolarHBondContact O-CB 3.33Å; E329-L332 PolarHBondContact O-N 2.93Å; E329-E333 PolarHBondContact O-N 2.95Å |
| 330 | Q | 98.1 | Very high | 97.9 | Very high | 134 Ų | 134 | 103 Ų | 103 | 63% | 0.626 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -62.4 | -40.9 | 177.6 | -171.1 | 179.8 | 16 | 0 | 0 | 112.4 | S326 E333 S334 | S326-Q330 WeakPolarHBondContact O-CB 3.49Å; S326-Q330 PolarHBondContact O-N 3.37Å; Q330-E333 PolarHBondContact O-N 2.94Å; Q330-S334 PolarHBondContact O-N 3.2Å |
| 331 | R | 98.1 | Very high | 97.8 | Very high | 156 Ų | 156 | 102.3 Ų | 102.3 | 59% | 0.589 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -66 | -38.9 | 175.3 | -72 | 171 | -166.6 | -159.4 | 9.8 | 112.2 | D327 L328 E329 S335 | D327-R331 VanDerWaalsContact CG-NE 3.25Å; D327-R331 WeakPolarHBondContact O-CB 3.4Å; D327-R331 WeakPolarHBondContact O-CG 3.3Å; D327-R331 PolarHBondContact O-N 3.02Å; D327-R331 IonicContact OD1-CZ 3.01Å; D327-R331 IonicContact OD1-NE 3.07Å; D327-R331 PolarHBondContact OD1-NE 2.95Å; D327-R331 IonicContact OD1-NH2 2.83Å; D327-R331 PolarHBondContact OD1-NH2 3.09Å; D327-R331 IonicContact OD2-CZ 2.6Å; D327-R331 IonicContact OD2-NE 3.83Å; D327-R331 PolarHBondContact OD2-NE 2.91Å; D327-R331 IonicContact OD2-NH1 2.79Å; D327-R331 IonicContact OD2-NH2 3.2Å; D327-R331 PolarHBondContact OD2-NH2 3.44Å; L328-R331 PolarHBondContact O-N 2.89Å; E329-R331 PolarHBondContact O-N 3.31Å; R331-S335 WeakPolarHBondContact O-CB 3.47Å; R331-S335 PolarHBondContact O-N 3.29Å |
| 332 | L | 97.8 | Very high | 97.8 | Very high | 103 Ų | 103 | 106.3 Ų | 106.3 | 54% | 0.539 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -64.4 | -44.9 | 176.3 | 179.7 | 61.9 | 0 | 0 | 0 | 110.8 | L328 E329 S335 Q336 | L328-L332 WeakPolarHBondContact O-CB 3.34Å; L328-L332 PolarHBondContact O-N 2.95Å; E329-L332 WeakPolarHBondContact O-CB 3.33Å; E329-L332 PolarHBondContact O-N 2.93Å; L332-S335 PolarHBondContact O-N 3.26Å; L332-Q336 VanDerWaalsContact O-CG 3.29Å; L332-Q336 WeakPolarHBondContact O-CG 3.47Å; L332-Q336 PolarHBondContact O-N 3.11Å |
| 333 | E | 97.8 | Very high | 97.8 | Very high | 120 Ų | 120 | 104.1 Ų | 104.1 | 56% | 0.561 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -61.7 | -46.8 | 175.6 | -173.4 | 174.9 | -147.9 | 0 | 0 | 111.7 | E329 Q330 S335 Q336 L337 | E329-E333 PolarHBondContact O-N 2.95Å; Q330-E333 PolarHBondContact O-N 2.94Å; E333-S335 VanDerWaalsContact C-N 3.33Å; E333-S335 PolarHBondContact O-N 2.95Å; E333-Q336 WeakPolarHBondContact O-CB 3.41Å; E333-Q336 PolarHBondContact O-N 3.05Å; E333-Q336 VanDerWaalsContact O-N 3.16Å; E333-L337 HydrophobicContact CG-CD1 4.23Å; E333-L337 WeakPolarHBondContact O-CG 3.43Å; E333-L337 PolarHBondContact O-N 2.84Å |
| 334 | S | 97.6 | Very high | 97.8 | Very high | 57 Ų | 57 | 107.1 Ų | 107.1 | 40% | 0.399 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -56.9 | -45.8 | 174.8 | -165.8 | 0 | 0 | 0 | 0 | 111.9 | Q330 Q336 L337 E338 | Q330-S334 PolarHBondContact O-N 3.2Å; S334-Q336 VanDerWaalsContact C-N 3.33Å; S334-Q336 PolarHBondContact O-N 3.44Å; S334-L337 PolarHBondContact O-N 3.12Å; S334-E338 WeakPolarHBondContact O-CB 3.4Å; S334-E338 WeakPolarHBondContact O-CG 3.5Å; S334-E338 PolarHBondContact O-N 2.96Å; S334-E338 PolarHBondContact OG-OE1 3.12Å |
| 335 | S | 97.5 | Very high | 97.7 | Very high | 68 Ų | 68 | 105.8 Ų | 105.8 | 48% | 0.476 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -65.9 | -34.3 | 178.8 | -171.2 | 0 | 0 | 0 | 0 | 112.7 | R331 L332 E333 R339 | R331-S335 WeakPolarHBondContact O-CB 3.47Å; R331-S335 PolarHBondContact O-N 3.29Å; L332-S335 PolarHBondContact O-N 3.26Å; E333-S335 VanDerWaalsContact C-N 3.33Å; E333-S335 PolarHBondContact O-N 2.95Å; S335-R339 VanDerWaalsContact O-CB 3.27Å; S335-R339 WeakPolarHBondContact O-CB 3.28Å; S335-R339 PolarHBondContact O-N 2.89Å |
| 336 | Q | 97.6 | Very high | 97.7 | Very high | 110 Ų | 110 | 104.1 Ų | 104.1 | 51% | 0.514 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -66.4 | -46 | 172.7 | -72.8 | 175.1 | 13.9 | 0 | 0 | 111.4 | L332 E333 S334 R339 E340 | L332-Q336 VanDerWaalsContact O-CG 3.29Å; L332-Q336 WeakPolarHBondContact O-CG 3.47Å; L332-Q336 PolarHBondContact O-N 3.11Å; E333-Q336 WeakPolarHBondContact O-CB 3.41Å; E333-Q336 PolarHBondContact O-N 3.05Å; E333-Q336 VanDerWaalsContact O-N 3.16Å; S334-Q336 VanDerWaalsContact C-N 3.33Å; S334-Q336 PolarHBondContact O-N 3.44Å; Q336-R339 PolarHBondContact O-N 3.07Å; Q336-E340 PolarHBondContact O-N 2.84Å |
| 337 | L | 97.8 | Very high | 97.6 | Very high | 104 Ų | 104 | 107 Ų | 107 | 55% | 0.545 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -62.4 | -43.2 | 177.2 | -70.2 | 171.3 | 0 | 0 | 0 | 112.2 | E333 S334 E340 A341 | E333-L337 HydrophobicContact CG-CD1 4.23Å; E333-L337 WeakPolarHBondContact O-CG 3.43Å; E333-L337 PolarHBondContact O-N 2.84Å; S334-L337 PolarHBondContact O-N 3.12Å; L337-E340 PolarHBondContact O-N 3.35Å; L337-A341 WeakPolarHBondContact O-CB 3.28Å; L337-A341 PolarHBondContact O-N 3.38Å |
| 338 | E | 97.6 | Very high | 97.6 | Very high | 125 Ų | 125 | 107.7 Ų | 107.7 | 58% | 0.584 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -59.6 | -44.9 | 173 | -75.9 | 169.4 | -152.7 | 0 | 0 | 111.7 | S334 E340 A341 Y342 | S334-E338 WeakPolarHBondContact O-CB 3.4Å; S334-E338 WeakPolarHBondContact O-CG 3.5Å; S334-E338 PolarHBondContact O-N 2.96Å; S334-E338 PolarHBondContact OG-OE1 3.12Å; E338-E340 PolarHBondContact O-N 3.36Å; E338-A341 PolarHBondContact O-N 3Å; E338-Y342 WeakPolarHBondContact O-CB 3.43Å; E338-Y342 PolarHBondContact O-N 3.32Å |
| 339 | R | 97.3 | Very high | 97.6 | Very high | 190 Ų | 190 | 107.1 Ų | 107.1 | 72% | 0.717 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -64.6 | -39.5 | 177.4 | -171.5 | 178.9 | -170.4 | 137.2 | 2.7 | 112.1 | S335 Q336 M343 | S335-R339 VanDerWaalsContact O-CB 3.27Å; S335-R339 WeakPolarHBondContact O-CB 3.28Å; S335-R339 PolarHBondContact O-N 2.89Å; Q336-R339 PolarHBondContact O-N 3.07Å; R339-M343 WeakPolarHBondContact O-CB 3.43Å; R339-M343 VanDerWaalsContact O-CG 3.27Å; R339-M343 WeakPolarHBondContact O-CG 3.18Å; R339-M343 PolarHBondContact O-N 3.28Å |
| 340 | E | 97.7 | Very high | 97.5 | Very high | 101 Ų | 101 | 105.2 Ų | 105.2 | 47% | 0.472 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -64.5 | -43.5 | 173.2 | -80.4 | -162.7 | -167.2 | 0 | 0 | 112.6 | Q336 L337 E338 M343 K344 | Q336-E340 PolarHBondContact O-N 2.84Å; L337-E340 PolarHBondContact O-N 3.35Å; E338-E340 PolarHBondContact O-N 3.36Å; E340-M343 PolarHBondContact O-N 3.28Å; E340-K344 VanDerWaalsContact O-CG 3.32Å; E340-K344 WeakPolarHBondContact O-CG 3.44Å; E340-K344 PolarHBondContact O-N 3.28Å; E340-K344 IonicContact OE2-NZ 2.84Å; E340-K344 PolarHBondContact OE2-NZ 2.92Å |
| 341 | A | 97.5 | Very high | 97.5 | Very high | 58 Ų | 58 | 105 Ų | 105 | 48% | 0.479 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -62 | -44.6 | 177.1 | 0 | 0 | 0 | 0 | 0 | 111 | L337 E338 K344 S345 | L337-A341 WeakPolarHBondContact O-CB 3.28Å; L337-A341 PolarHBondContact O-N 3.38Å; E338-A341 PolarHBondContact O-N 3Å; A341-K344 PolarHBondContact O-N 2.88Å; A341-S345 PolarHBondContact O-N 3.48Å |
| 342 | Y | 97.6 | Very high | 97.4 | Very high | 152 Ų | 152 | 103 Ų | 103 | 60% | 0.596 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -59.5 | -46 | 172.9 | -178.7 | -97.2 | 0 | 0 | 0 | 111.9 | E338 K344 S345 L346 | E338-Y342 WeakPolarHBondContact O-CB 3.43Å; E338-Y342 PolarHBondContact O-N 3.32Å; Y342-K344 VanDerWaalsContact C-N 3.32Å; Y342-K344 PolarHBondContact O-N 2.82Å; Y342-S345 PolarHBondContact O-N 2.87Å; Y342-L346 HydrophobicContact CE1-CD2 4.43Å; Y342-L346 WeakPolarHBondContact O-CB 3.34Å; Y342-L346 PolarHBondContact O-N 3.36Å |
| 343 | M | 97.6 | Very high | 97.4 | Very high | 77 Ų | 77 | 102.4 Ų | 102.4 | 38% | 0.379 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -64.4 | -32.7 | 176.3 | -75 | -65.3 | -62.5 | 0 | 0 | 113.2 | R339 E340 R347 | R339-M343 WeakPolarHBondContact O-CB 3.43Å; R339-M343 VanDerWaalsContact O-CG 3.27Å; R339-M343 WeakPolarHBondContact O-CG 3.18Å; R339-M343 PolarHBondContact O-N 3.28Å; E340-M343 PolarHBondContact O-N 3.28Å; M343-R347 VanDerWaalsContact O-CG 3.32Å; M343-R347 WeakPolarHBondContact O-CG 3.27Å; M343-R347 PolarHBondContact O-N 3.36Å; M343-R347 PolarHBondContact O-NH1 2.73Å |
| 344 | K | 97.6 | Very high | 97.4 | Very high | 124 Ų | 124 | 101.7 Ų | 101.7 | 54% | 0.539 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -68.7 | -45.1 | 172.8 | -73.2 | 163.4 | -172.3 | 156.4 | 0 | 110.8 | E340 A341 Y342 L346 R347 S348 | E340-K344 VanDerWaalsContact O-CG 3.32Å; E340-K344 WeakPolarHBondContact O-CG 3.44Å; E340-K344 PolarHBondContact O-N 3.28Å; E340-K344 IonicContact OE2-NZ 2.84Å; E340-K344 PolarHBondContact OE2-NZ 2.92Å; A341-K344 PolarHBondContact O-N 2.88Å; Y342-K344 VanDerWaalsContact C-N 3.32Å; Y342-K344 PolarHBondContact O-N 2.82Å; K344-L346 PolarHBondContact O-N 3.36Å; K344-R347 PolarHBondContact O-N 2.92Å; K344-S348 PolarHBondContact O-N 2.91Å; K344-S348 VanDerWaalsContact O-N 3.1Å |
| 345 | S | 97.3 | Very high | 97.3 | Very high | 80 Ų | 80 | 102.2 Ų | 102.2 | 56% | 0.559 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -61 | -43.8 | 175.5 | 179.8 | 0 | 0 | 0 | 0 | 112.3 | A341 Y342 R347 S348 L349 | A341-S345 PolarHBondContact O-N 3.48Å; Y342-S345 PolarHBondContact O-N 2.87Å; S345-R347 PolarHBondContact O-N 3.34Å; S345-S348 PolarHBondContact O-N 3.37Å; S345-L349 PolarHBondContact O-N 2.92Å |
| 346 | L | 97.4 | Very high | 97.3 | Very high | 66 Ų | 66 | 104 Ų | 104 | 35% | 0.346 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -63.1 | -40.2 | 177.8 | -176.5 | 62.3 | 0 | 0 | 0 | 112.5 | Y342 K344 L349 L350 | Y342-L346 HydrophobicContact CE1-CD2 4.43Å; Y342-L346 WeakPolarHBondContact O-CB 3.34Å; Y342-L346 PolarHBondContact O-N 3.36Å; K344-L346 PolarHBondContact O-N 3.36Å; L346-L349 PolarHBondContact O-N 2.95Å; L346-L350 HydrophobicContact CG-CD1 4.47Å; L346-L350 WeakPolarHBondContact O-CG 3.47Å; L346-L350 PolarHBondContact O-N 3.01Å |
| 347 | R | 97.3 | Very high | 97.2 | Very high | 132 Ų | 132 | 103.5 Ų | 103.5 | 50% | 0.498 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -62.1 | -46.5 | 173.9 | -73.3 | 177.2 | -168.8 | 111.3 | -8 | 111.8 | M343 K344 S345 L349 L350 E351 | M343-R347 VanDerWaalsContact O-CG 3.32Å; M343-R347 WeakPolarHBondContact O-CG 3.27Å; M343-R347 PolarHBondContact O-N 3.36Å; M343-R347 PolarHBondContact O-NH1 2.73Å; K344-R347 PolarHBondContact O-N 2.92Å; S345-R347 PolarHBondContact O-N 3.34Å; R347-L349 VanDerWaalsContact C-N 3.29Å; R347-L349 PolarHBondContact O-N 2.91Å; R347-L350 WeakPolarHBondContact O-CB 3.49Å; R347-L350 PolarHBondContact O-N 2.86Å; R347-L350 VanDerWaalsContact O-N 3.12Å; R347-E351 WeakPolarHBondContact O-CG 3.44Å; R347-E351 PolarHBondContact O-N 3.48Å |
| 348 | S | 97.2 | Very high | 97.2 | Very high | 72 Ų | 72 | 105.2 Ų | 105.2 | 50% | 0.503 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -62.2 | -35.7 | 177.4 | 179.9 | 0 | 0 | 0 | 0 | 112.5 | K344 S345 L352 | K344-S348 PolarHBondContact O-N 2.91Å; K344-S348 VanDerWaalsContact O-N 3.1Å; S345-S348 PolarHBondContact O-N 3.37Å; S348-L352 WeakPolarHBondContact O-CB 3.34Å; S348-L352 PolarHBondContact O-N 3.49Å; S348-L352 VanDerWaalsContact O-N 3.08Å |
| 349 | L | 97.3 | Very high | 97.1 | Very high | 91 Ų | 91 | 103.4 Ų | 103.4 | 48% | 0.476 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -67.2 | -38.6 | 173.5 | -177.4 | 62.7 | 0 | 0 | 0 | 112.2 | S345 L346 R347 L352 L353 | S345-L349 PolarHBondContact O-N 2.92Å; L346-L349 PolarHBondContact O-N 2.95Å; R347-L349 VanDerWaalsContact C-N 3.29Å; R347-L349 PolarHBondContact O-N 2.91Å; L349-L352 PolarHBondContact O-N 3.19Å; L349-L353 HydrophobicContact CG-CD1 4.39Å; L349-L353 WeakPolarHBondContact O-CG 3.35Å; L349-L353 PolarHBondContact O-N 3.13Å |
| 350 | L | 96.6 | Very high | 97 | Very high | 90 Ų | 90 | 99.1 Ų | 99.1 | 47% | 0.471 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -64.6 | -46.6 | 174.8 | -71.6 | 166.5 | 0 | 0 | 0 | 111.4 | L346 R347 L352 L353 D354 | L346-L350 HydrophobicContact CG-CD1 4.47Å; L346-L350 WeakPolarHBondContact O-CG 3.47Å; L346-L350 PolarHBondContact O-N 3.01Å; R347-L350 WeakPolarHBondContact O-CB 3.49Å; R347-L350 PolarHBondContact O-N 2.86Å; R347-L350 VanDerWaalsContact O-N 3.12Å; L350-L352 VanDerWaalsContact C-N 3.26Å; L350-L352 PolarHBondContact O-N 3.01Å; L350-L353 PolarHBondContact O-N 2.97Å; L350-L353 VanDerWaalsContact O-N 3.08Å; L350-D354 PolarHBondContact O-N 3.12Å |
| 351 | E | 96.8 | Very high | 96.8 | Very high | 128 Ų | 128 | 96.6 Ų | 96.6 | 60% | 0.598 | 49% | 0.493 | S | S | * | . | H | α-helix | trans | -57.8 | -37.8 | 175.4 | -71.5 | 169.6 | 179.5 | 0 | 0 | 112.5 | R347 S355 | R347-E351 WeakPolarHBondContact O-CG 3.44Å; R347-E351 PolarHBondContact O-N 3.48Å; E351-S355 WeakPolarHBondContact O-CB 3.48Å; E351-S355 PolarHBondContact O-N 3.36Å; E351-S355 PolarHBondContact O-OG 2.96Å |
| 352 | L | 97.3 | Very high | 96.7 | Very high | 116 Ų | 116 | 99.2 Ų | 99.2 | 61% | 0.607 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -68.7 | -40.3 | 175.2 | -178.1 | 64.4 | 0 | 0 | 0 | 112.2 | S348 L349 L350 K356 | S348-L352 WeakPolarHBondContact O-CB 3.34Å; S348-L352 PolarHBondContact O-N 3.49Å; S348-L352 VanDerWaalsContact O-N 3.08Å; L349-L352 PolarHBondContact O-N 3.19Å; L350-L352 VanDerWaalsContact C-N 3.26Å; L350-L352 PolarHBondContact O-N 3.01Å; L352-K356 WeakPolarHBondContact O-CB 3.43Å; L352-K356 PolarHBondContact O-N 3.39Å |
| 353 | L | 96.8 | Very high | 96.5 | Very high | 89 Ų | 89 | 96.6 Ų | 96.6 | 47% | 0.466 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -66.2 | -43.6 | 175.5 | -73.8 | 170.9 | 0 | 0 | 0 | 111.6 | L349 L350 S355 K356 I357 | L349-L353 HydrophobicContact CG-CD1 4.39Å; L349-L353 WeakPolarHBondContact O-CG 3.35Å; L349-L353 PolarHBondContact O-N 3.13Å; L350-L353 PolarHBondContact O-N 2.97Å; L350-L353 VanDerWaalsContact O-N 3.08Å; L353-S355 VanDerWaalsContact C-N 3.35Å; L353-S355 PolarHBondContact O-N 3.39Å; L353-K356 CarbonylContact O-C 3.55Å; L353-K356 PolarHBondContact O-N 3.32Å; L353-K356 VanDerWaalsContact O-N 3.11Å; L353-I357 VanDerWaalsContact O-CG1 3.29Å; L353-I357 WeakPolarHBondContact O-CG1 3.36Å; L353-I357 PolarHBondContact O-N 2.93Å |
| 354 | D | 97.2 | Very high | 96.3 | Very high | 105 Ų | 105 | 99.9 Ų | 99.9 | 56% | 0.561 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -60.9 | -44.8 | 176.1 | -72.6 | -26.6 | 0 | 0 | 0 | 111 | L350 K356 I357 F358 | L350-D354 PolarHBondContact O-N 3.12Å; D354-K356 VanDerWaalsContact C-N 3.3Å; D354-K356 PolarHBondContact O-N 2.87Å; D354-I357 PolarHBondContact O-N 2.87Å; D354-F358 PolarHBondContact O-N 3.26Å |
| 355 | S | 96.9 | Very high | 96.1 | Very high | 68 Ų | 68 | 97 Ų | 97 | 48% | 0.476 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -57.9 | -42 | 172.7 | -59.5 | 0 | 0 | 0 | 0 | 111.7 | E351 L353 F358 E359 | E351-S355 WeakPolarHBondContact O-CB 3.48Å; E351-S355 PolarHBondContact O-N 3.36Å; E351-S355 PolarHBondContact O-OG 2.96Å; L353-S355 VanDerWaalsContact C-N 3.35Å; L353-S355 PolarHBondContact O-N 3.39Å; S355-F358 WeakPolarHBondContact O-CB 3.46Å; S355-F358 PolarHBondContact O-N 3.39Å; S355-E359 PolarHBondContact O-N 3.42Å |
| 356 | K | 96.9 | Very high | 95.8 | Very high | 106 Ų | 106 | 96.1 Ų | 96.1 | 46% | 0.461 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -72.4 | -33.9 | 179.7 | -162.6 | 55.4 | 169.7 | -177.7 | 0 | 113.2 | L352 L353 D354 F358 E359 L360 | L352-K356 WeakPolarHBondContact O-CB 3.43Å; L352-K356 PolarHBondContact O-N 3.39Å; L353-K356 CarbonylContact O-C 3.55Å; L353-K356 PolarHBondContact O-N 3.32Å; L353-K356 VanDerWaalsContact O-N 3.11Å; D354-K356 VanDerWaalsContact C-N 3.3Å; D354-K356 PolarHBondContact O-N 2.87Å; K356-F358 VanDerWaalsContact C-N 3.32Å; K356-E359 HydrophobicContact CD-CB 4.46Å; K356-E359 VanDerWaalsContact CD-OE2 3.31Å; K356-E359 WeakPolarHBondContact CD-OE2 3.22Å; K356-E359 WeakPolarHBondContact CE-OE2 3.34Å; K356-E359 IonicContact NZ-OE2 3.6Å; K356-E359 PolarHBondContact NZ-OE2 2.9Å; K356-E359 PolarHBondContact O-N 3.49Å; K356-L360 WeakPolarHBondContact O-CB 3.27Å; K356-L360 VanDerWaalsContact O-CG 3.28Å; K356-L360 WeakPolarHBondContact O-CG 3.45Å; K356-L360 PolarHBondContact O-N 3.31Å |
| 357 | I | 96.6 | Very high | 95.5 | Very high | 99 Ų | 99 | 98.2 Ų | 98.2 | 51% | 0.508 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -64.3 | -40.3 | 171.7 | -70.7 | 162.6 | 0 | 0 | 0 | 109.9 | L353 D354 L360 T361 | L353-I357 VanDerWaalsContact O-CG1 3.29Å; L353-I357 WeakPolarHBondContact O-CG1 3.36Å; L353-I357 PolarHBondContact O-N 2.93Å; D354-I357 PolarHBondContact O-N 2.87Å; I357-L360 PolarHBondContact O-N 3.45Å; I357-T361 WeakPolarHBondContact O-CB 3.49Å; I357-T361 PolarHBondContact O-N 3.47Å; I357-T361 PolarHBondContact O-OG1 3.43Å |
| 358 | F | 96.3 | Very high | 95 | Very high | 141 Ų | 141 | 94 Ų | 94 | 62% | 0.618 | 49% | 0.486 | S | S | * | . | H | α-helix | trans | -61.2 | -50.7 | 174.6 | -174.7 | -89.5 | 0 | 0 | 0 | 111.7 | D354 S355 K356 L360 T361 E362 | D354-F358 PolarHBondContact O-N 3.26Å; S355-F358 WeakPolarHBondContact O-CB 3.46Å; S355-F358 PolarHBondContact O-N 3.39Å; K356-F358 VanDerWaalsContact C-N 3.32Å; F358-L360 VanDerWaalsContact C-N 3.33Å; F358-L360 PolarHBondContact O-N 2.83Å; F358-T361 WeakPolarHBondContact O-CA 3.36Å; F358-T361 WeakPolarHBondContact O-CB 3.38Å; F358-T361 PolarHBondContact O-N 2.96Å; F358-E362 PolarHBondContact O-N 3.13Å |
| 359 | E | 96 | Very high | 94.6 | Very high | 86 Ų | 86 | 97.8 Ų | 97.8 | 40% | 0.402 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -55.4 | -44.8 | 174.8 | -71.5 | 176.8 | -154.1 | 0 | 0 | 112.6 | S355 K356 T361 E362 L363 | S355-E359 PolarHBondContact O-N 3.42Å; K356-E359 HydrophobicContact CD-CB 4.46Å; K356-E359 VanDerWaalsContact CD-OE2 3.31Å; K356-E359 WeakPolarHBondContact CD-OE2 3.22Å; K356-E359 WeakPolarHBondContact CE-OE2 3.34Å; K356-E359 IonicContact NZ-OE2 3.6Å; K356-E359 PolarHBondContact NZ-OE2 2.9Å; K356-E359 PolarHBondContact O-N 3.49Å; E359-T361 VanDerWaalsContact C-N 3.28Å; E359-T361 PolarHBondContact O-N 2.84Å; E359-E362 PolarHBondContact O-N 3.48Å; E359-L363 WeakPolarHBondContact O-CB 3.33Å; E359-L363 VanDerWaalsContact O-CG 3.31Å; E359-L363 WeakPolarHBondContact O-CG 3.41Å; E359-L363 PolarHBondContact O-N 3.04Å |
| 360 | L | 95.4 | Very high | 94 | Very high | 101 Ų | 101 | 99.7 Ų | 99.7 | 53% | 0.529 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -65.8 | -32.2 | 177.7 | -73.1 | 170.3 | 0 | 0 | 0 | 112.4 | K356 I357 F358 R364 | K356-L360 WeakPolarHBondContact O-CB 3.27Å; K356-L360 VanDerWaalsContact O-CG 3.28Å; K356-L360 WeakPolarHBondContact O-CG 3.45Å; K356-L360 PolarHBondContact O-N 3.31Å; I357-L360 PolarHBondContact O-N 3.45Å; F358-L360 VanDerWaalsContact C-N 3.33Å; F358-L360 PolarHBondContact O-N 2.83Å; L360-R364 WeakPolarHBondContact O-CB 3.38Å; L360-R364 PolarHBondContact O-N 3.25Å |
| 361 | T | 94.3 | Very high | 93.3 | Very high | 47 Ų | 47 | 100.8 Ų | 100.8 | 29% | 0.288 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -69.6 | -44.2 | 175.6 | -58.1 | 0 | 0 | 0 | 0 | 110.5 | I357 F358 E359 R364 D365 | I357-T361 WeakPolarHBondContact O-CB 3.49Å; I357-T361 PolarHBondContact O-N 3.47Å; I357-T361 PolarHBondContact O-OG1 3.43Å; F358-T361 WeakPolarHBondContact O-CA 3.36Å; F358-T361 WeakPolarHBondContact O-CB 3.38Å; F358-T361 PolarHBondContact O-N 2.96Å; E359-T361 VanDerWaalsContact C-N 3.28Å; E359-T361 PolarHBondContact O-N 2.84Å; T361-R364 VanDerWaalsContact CG2-NH2 3.32Å; T361-R364 WeakPolarHBondContact O-CB 3.44Å; T361-R364 PolarHBondContact O-N 2.88Å; T361-D365 PolarHBondContact O-N 3.41Å |
| 362 | E | 94.5 | Very high | 92.3 | Very high | 114 Ų | 114 | 102.6 Ų | 102.6 | 53% | 0.533 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -65.3 | -39.7 | 175.2 | -173.3 | 173.4 | -158.5 | 0 | 0 | 112.2 | F358 E359 D365 T366 | F358-E362 PolarHBondContact O-N 3.13Å; E359-E362 PolarHBondContact O-N 3.48Å; E362-D365 PolarHBondContact O-N 3.18Å; E362-T366 WeakPolarHBondContact O-CB 3.43Å; E362-T366 WeakPolarHBondContact O-CG2 3.24Å; E362-T366 PolarHBondContact O-N 3.17Å; E362-T366 PolarHBondContact O-OG1 3.33Å |
| 363 | L | 93.7 | Very high | 90.5 | Very high | 97 Ų | 97 | 100.4 Ų | 100.4 | 51% | 0.508 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -61.9 | -42.4 | 172.1 | -75.7 | 169 | 0 | 0 | 0 | 112.2 | E359 T366 L367 | E359-L363 WeakPolarHBondContact O-CB 3.33Å; E359-L363 VanDerWaalsContact O-CG 3.31Å; E359-L363 WeakPolarHBondContact O-CG 3.41Å; E359-L363 PolarHBondContact O-N 3.04Å; L363-T366 WeakPolarHBondContact CA-OG1 3.4Å; L363-T366 PolarHBondContact O-OG1 3.22Å; L363-L367 WeakPolarHBondContact O-CB 3.42Å; L363-L367 WeakPolarHBondContact O-CD1 3.37Å; L363-L367 VanDerWaalsContact O-CG 3.23Å; L363-L367 WeakPolarHBondContact O-CG 3.38Å; L363-L367 PolarHBondContact O-N 3.26Å |
| 364 | R | 93 | Very high | 88.3 | Confident | 145 Ų | 145 | 103.8 Ų | 103.8 | 55% | 0.547 | 56% | 0.559 | S | S | . | * | H | α-helix | trans | -60.8 | -44.8 | 173.3 | -179.5 | -158.6 | 68.9 | -155.5 | -0.7 | 111.4 | L360 T361 L367 A368 | L360-R364 WeakPolarHBondContact O-CB 3.38Å; L360-R364 PolarHBondContact O-N 3.25Å; T361-R364 VanDerWaalsContact CG2-NH2 3.32Å; T361-R364 WeakPolarHBondContact O-CB 3.44Å; T361-R364 PolarHBondContact O-N 2.88Å; R364-L367 PolarHBondContact O-N 3.23Å; R364-A368 WeakPolarHBondContact O-CB 3.44Å; R364-A368 PolarHBondContact O-N 2.9Å |
| 365 | D | 93.1 | Very high | 87.9 | Confident | 64 Ų | 64 | 103.8 Ų | 103.8 | 34% | 0.342 | 56% | 0.559 | S | S | . | * | H | α-helix | trans | -74.3 | -30.7 | -174.7 | -66.9 | -7.1 | 0 | 0 | 0 | 112.4 | T361 E362 K369 | T361-D365 PolarHBondContact O-N 3.41Å; E362-D365 PolarHBondContact O-N 3.18Å; D365-K369 VanDerWaalsContact O-CG 3.31Å; D365-K369 WeakPolarHBondContact O-CG 3.32Å; D365-K369 PolarHBondContact O-N 2.89Å; D365-K369 VanDerWaalsContact O-N 3.14Å |
| 366 | T | 92 | Very high | 87.4 | Confident | 62 Ų | 62 | 105.6 Ų | 105.6 | 38% | 0.38 | 56% | 0.563 | S | S | . | * | H | α-helix | trans | -71 | -39.7 | 170.4 | 48.4 | 0 | 0 | 0 | 0 | 112 | E362 L363 K369 L370 | E362-T366 WeakPolarHBondContact O-CB 3.43Å; E362-T366 WeakPolarHBondContact O-CG2 3.24Å; E362-T366 PolarHBondContact O-N 3.17Å; E362-T366 PolarHBondContact O-OG1 3.33Å; L363-T366 WeakPolarHBondContact CA-OG1 3.4Å; L363-T366 PolarHBondContact O-OG1 3.22Å; T366-K369 PolarHBondContact O-N 3.09Å; T366-L370 PolarHBondContact O-N 3.48Å; T366-L370 VanDerWaalsContact O-N 3.12Å |
| 367 | L | 89.9 | Confident | 86.9 | Confident | 110 Ų | 110 | 105.6 Ų | 105.6 | 58% | 0.576 | 57% | 0.569 | S | S | * | * | H | α-helix | trans | -62.9 | -40.9 | 171.3 | -73.7 | 169.1 | 0 | 0 | 0 | 112.1 | L363 R364 L370 V371 | L363-L367 WeakPolarHBondContact O-CB 3.42Å; L363-L367 WeakPolarHBondContact O-CD1 3.37Å; L363-L367 VanDerWaalsContact O-CG 3.23Å; L363-L367 WeakPolarHBondContact O-CG 3.38Å; L363-L367 PolarHBondContact O-N 3.26Å; R364-L367 PolarHBondContact O-N 3.23Å; L367-L370 WeakPolarHBondContact O-CB 3.44Å; L367-L370 PolarHBondContact O-N 3.35Å; L367-V371 WeakPolarHBondContact O-CG2 3.3Å; L367-V371 PolarHBondContact O-N 2.81Å; L367-V371 VanDerWaalsContact O-N 3.16Å |
| 368 | A | 88.2 | Confident | 86.3 | Confident | 44 Ų | 44 | 106 Ų | 106 | 36% | 0.364 | 57% | 0.573 | S | S | . | * | H | α-helix | trans | -60.8 | -45.9 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112 | R364 L370 V371 E372 | R364-A368 WeakPolarHBondContact O-CB 3.44Å; R364-A368 PolarHBondContact O-N 2.9Å; A368-L370 VanDerWaalsContact C-N 3.28Å; A368-L370 PolarHBondContact O-N 3.15Å; A368-V371 PolarHBondContact O-N 3.26Å; A368-E372 PolarHBondContact O-N 3.32Å |
| 369 | K | 87.1 | Confident | 85.7 | Confident | 150 Ų | 150 | 103.8 Ų | 103.8 | 65% | 0.652 | 57% | 0.57 | S | S | * | * | H | α-helix | trans | -60.7 | -33.8 | 175.4 | -72.4 | 167.7 | -176.1 | 170.6 | 0 | 113.4 | D365 T366 V371 G373 | D365-K369 VanDerWaalsContact O-CG 3.31Å; D365-K369 WeakPolarHBondContact O-CG 3.32Å; D365-K369 PolarHBondContact O-N 2.89Å; D365-K369 VanDerWaalsContact O-N 3.14Å; T366-K369 PolarHBondContact O-N 3.09Å; K369-V371 VanDerWaalsContact C-N 3.32Å; K369-G373 PolarHBondContact O-N 3.48Å |
| 370 | L | 85.7 | Confident | 85 | Confident | 131 Ų | 131 | 105 Ų | 105 | 69% | 0.686 | 58% | 0.581 | S | S | * | * | H | α-helix | trans | -68.9 | -30 | 174.2 | -83.9 | 161.1 | 0 | 0 | 0 | 112.7 | T366 L367 A368 | T366-L370 PolarHBondContact O-N 3.48Å; T366-L370 VanDerWaalsContact O-N 3.12Å; L367-L370 WeakPolarHBondContact O-CB 3.44Å; L367-L370 PolarHBondContact O-N 3.35Å; A368-L370 VanDerWaalsContact C-N 3.28Å; A368-L370 PolarHBondContact O-N 3.15Å |
| 371 | V | 80.7 | Confident | 84.2 | Confident | 114 Ų | 114 | 105.3 Ų | 105.3 | 69% | 0.691 | 59% | 0.585 | S | S | * | * | H | α-helix | trans | -81.5 | -37.6 | 177.4 | 173.5 | 0 | 0 | 0 | 0 | 111.9 | L367 A368 K369 G373 | L367-V371 WeakPolarHBondContact O-CG2 3.3Å; L367-V371 PolarHBondContact O-N 2.81Å; L367-V371 VanDerWaalsContact O-N 3.16Å; A368-V371 PolarHBondContact O-N 3.26Å; K369-V371 VanDerWaalsContact C-N 3.32Å; V371-G373 VanDerWaalsContact C-N 3.28Å; V371-G373 PolarHBondContact O-N 3.49Å |
| 372 | E | 75.9 | Confident | 83.5 | Confident | 166 Ų | 166 | 109.8 Ų | 109.8 | 78% | 0.776 | 61% | 0.607 | S | S | * | * | H | α-helix | trans | -75.4 | -14.9 | 176.6 | -68.8 | -178.8 | 165.7 | 0 | 0 | 113.8 | A368 | A368-E372 PolarHBondContact O-N 3.32Å |
| 373 | G | 60.3 | Low | 82.5 | Confident | 70 Ų | 70 | 109.4 Ų | 109.4 | 72% | 0.722 | 61% | 0.614 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -93.3 | 8.1 | 178.7 | 0 | 0 | 0 | 0 | 0 | 115.5 | K369 V371 | K369-G373 PolarHBondContact O-N 3.48Å; V371-G373 VanDerWaalsContact C-N 3.28Å; V371-G373 PolarHBondContact O-N 3.49Å |
| 374 | S | 50.9 | Low | 81.5 | Confident | 160 Ų | 160 | 110.5 Ų | 110.5 | 100% | 1.119 | 62% | 0.623 | S | S | * | * | trans | -123 | 0 | -179 | -174.9 | 0 | 0 | 0 | 0 | 112.9 |
Retrieved 374 of 374 residues in 203.2 ms
(Link to these results)