| 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 | 48.5 | Very low | 91 | Very high | 241 Ų | 241 | 95.3 Ų | 95.3 | 100% | 1.187 | 49% | 0.494 | S | S | * | . | 0 | 138.1 | 0 | -69.5 | -174.8 | -161.2 | 0 | 0 | 107 | K3 | M1-K3 PolarHBondContact O-N 3.23Š| |||
| 2 | D | 79.1 | Confident | 91.7 | Very high | 165 Ų | 165 | 93.9 Ų | 93.9 | 88% | 0.882 | 50% | 0.499 | S | S | * | . | P | Polyproline II helix | trans | -62.6 | 126.7 | 179 | -70.4 | -33.2 | 0 | 0 | 0 | 109.9 | ||
| 3 | K | 90.6 | Very high | 92.2 | Very high | 74 Ų | 74 | 90.2 Ų | 90.2 | 32% | 0.322 | 48% | 0.479 | S | S | . | . | P | Polyproline II helix | trans | -61.8 | 126.1 | 178.1 | 171.2 | 179.5 | 162.4 | 179 | 0 | 109.1 | M1 Y99 Q115 M118 | M1-K3 PolarHBondContact O-N 3.23Å; K3-Y99 WeakPolarHBondContact CE-OH 3.32Å; K3-Q115 VanDerWaalsContact CE-O 3.23Å; K3-Q115 WeakPolarHBondContact CE-O 3.42Å; K3-Q115 PolarHBondContact NZ-O 2.8Å; K3-M118 PolarHBondContact NZ-O 3Å |
| 4 | P | 95.5 | Very high | 92.7 | Very high | 49 Ų | 49 | 84.6 Ų | 84.6 | 32% | 0.318 | 45% | 0.452 | S | S | . | . | P | Polyproline II helix | trans | -68.1 | 147.7 | 177.2 | 25.5 | -29.7 | 0 | 0 | 0 | 110.9 | Y6 Y99 W111 | P4-Y6 PolarHBondContact O-N 3.44Å; P4-Y99 HydrophobicContact CG-CE1 4.07Å; P4-Y99 VanDerWaalsContact O-CE1 3.29Å; P4-Y99 WeakPolarHBondContact O-CE1 3.42Å; P4-Y99 PolarHBondContact O-OH 2.73Å; P4-W111 HydrophobicContact CG-CH2 3.86Å; P4-W111 HydrophobicContact CG-CZ2 3.98Å |
| 5 | N | 95.9 | Very high | 93.1 | Very high | 132 Ų | 132 | 84.5 Ų | 84.5 | 71% | 0.706 | 46% | 0.461 | S | S | * | . | S | Bend | trans | -64.8 | -30.6 | 177.5 | -71.3 | -26 | 0 | 0 | 0 | 112.6 | P97 Y99 | N5-P97 VanDerWaalsContact O-CA 3.27Å; N5-P97 WeakPolarHBondContact O-CA 3.47Å; N5-P97 VanDerWaalsContact O-CB 3.27Å; N5-P97 WeakPolarHBondContact O-CB 3.41Å; N5-Y99 PolarHBondContact O-OH 2.78Å |
| 6 | Y | 98.3 | Very high | 93.4 | Very high | 97 Ų | 97 | 86.9 Ų | 86.9 | 38% | 0.38 | 46% | 0.461 | S | S | . | . | trans | -161.7 | 165.8 | 174.6 | 58.8 | -98.3 | 0 | 0 | 0 | 108.9 | P4 V8 I11 A92 V98 | P4-Y6 PolarHBondContact O-N 3.44Å; Y6-V8 HydrophobicContact CD2-CG2 4.22Å; Y6-V8 HydrophobicContact CE2-CG2 4.38Å; Y6-I11 HydrophobicContact CD2-CD1 4.46Å; Y6-I11 HydrophobicContact CE2-CD1 3.79Å; Y6-I11 HydrophobicContact CE2-CG1 4.31Å; Y6-A92 HydrophobicContact CD1-CB 4.06Å; Y6-A92 HydrophobicContact CD2-CB 3.84Å; Y6-A92 HydrophobicContact CE1-CB 4.49Å; Y6-A92 HydrophobicContact CE2-CB 4.29Å; Y6-A92 HydrophobicContact CG-CB 3.73Å; Y6-V98 CarbonylContact C-O 3.56Å; Y6-V98 VanDerWaalsContact CA-O 3.29Å; Y6-V98 WeakPolarHBondContact CA-O 3.25Å; Y6-V98 VanDerWaalsContact CB-O 3.29Å; Y6-V98 WeakPolarHBondContact CB-O 3.08Å | ||
| 7 | K | 98.7 | Very high | 93.8 | Very high | 81 Ų | 81 | 81.8 Ų | 81.8 | 35% | 0.352 | 43% | 0.434 | S | S | . | . | B | Isolated β-bridge | trans | -145.2 | 116.4 | 165.6 | -170.2 | -179.6 | 174.1 | -159.1 | 0 | 108.8 | V98 Y99 A100 W101 E108 W111 | K7-V98 PolarHBondContact N-O 3.23Å; K7-Y99 HydrophobicContact CB-CD1 4.11Å; K7-Y99 WeakPolarHBondContact O-CA 3.32Å; K7-A100 PolarHBondContact O-N 3.16Å; K7-W101 HydrophobicContact CB-CZ3 3.98Å; K7-W101 HydrophobicContact CD-CE3 4.44Å; K7-W101 HydrophobicContact CD-CH2 3.58Å; K7-W101 HydrophobicContact CD-CZ3 3.52Å; K7-W101 HydrophobicContact CG-CE3 4.15Å; K7-W101 HydrophobicContact CG-CH2 4.18Å; K7-W101 HydrophobicContact CG-CZ3 3.6Å; K7-W101 VanDerWaalsContact NZ-CH2 3.33Å; K7-E108 IonicContact NZ-OE1 3.94Å; K7-W111 HydrophobicContact CB-CH2 4.09Å; K7-W111 HydrophobicContact CB-CZ3 4.11Å; K7-W111 HydrophobicContact CD-CH2 3.66Å; K7-W111 HydrophobicContact CD-CZ3 3.59Å; K7-W111 HydrophobicContact CG-CZ3 4.46Å |
| 8 | V | 98.8 | Very high | 94 | Very high | 20 Ų | 20 | 81.4 Ų | 81.4 | 12% | 0.121 | 43% | 0.426 | C | S | . | . | trans | -136 | 162.7 | -178.5 | -59.6 | 0 | 0 | 0 | 0 | 109.2 | Y6 I11 A88 A92 V98 | Y6-V8 HydrophobicContact CD2-CG2 4.22Å; Y6-V8 HydrophobicContact CE2-CG2 4.38Å; V8-I11 HydrophobicContact CG2-CB 4.46Å; V8-I11 HydrophobicContact CG2-CD1 4.03Å; V8-A88 HydrophobicContact CB-CB 4.32Å; V8-A88 HydrophobicContact CG1-CB 3.8Å; V8-A92 HydrophobicContact CG1-CB 4.17Å; V8-V98 HydrophobicContact CG1-CG1 3.78Å | ||
| 9 | A | 98.5 | Very high | 94.3 | Very high | 59 Ų | 59 | 84.6 Ų | 84.6 | 49% | 0.488 | 44% | 0.435 | S | S | . | . | S | Bend | trans | -60.5 | -54 | -177.3 | 0 | 0 | 0 | 0 | 0 | 112.9 | D85 W101 | A9-D85 HydrophobicContact CB-CB 3.96Å; A9-W101 HydrophobicContact CB-CB 3.86Å |
| 10 | D | 98.6 | Very high | 94.5 | Very high | 69 Ų | 69 | 83.6 Ų | 83.6 | 37% | 0.369 | 43% | 0.429 | S | S | . | . | trans | -149.3 | 112.2 | -179.6 | 178.7 | 8.5 | 0 | 0 | 0 | 110.6 | S12 L13 A89 | D10-S12 PolarHBondContact O-N 3.08Å; D10-S12 WeakPolarHBondContact OD1-CB 3.35Å; D10-S12 PolarHBondContact OD1-N 3.35Å; D10-S12 PolarHBondContact OD1-OG 3.09Å; D10-S12 PolarHBondContact OD2-OG 3.36Å; D10-L13 HydrophobicContact CB-CD1 4.05Å; D10-L13 HydrophobicContact CB-CG 4.03Å; D10-L13 PolarHBondContact O-N 3.38Å; D10-A89 WeakPolarHBondContact O-CB 3.17Å | ||
| 11 | I | 98.7 | Very high | 94.7 | Very high | 61 Ų | 61 | 79.6 Ų | 79.6 | 31% | 0.313 | 41% | 0.408 | S | S | . | . | G | 310 helix | trans | -66 | -20.6 | 179.8 | -160.3 | 64.1 | 0 | 0 | 0 | 112.8 | Y6 V8 L13 A14 A92 V93 | Y6-I11 HydrophobicContact CD2-CD1 4.46Å; Y6-I11 HydrophobicContact CE2-CD1 3.79Å; Y6-I11 HydrophobicContact CE2-CG1 4.31Å; V8-I11 HydrophobicContact CG2-CB 4.46Å; V8-I11 HydrophobicContact CG2-CD1 4.03Å; I11-L13 PolarHBondContact O-N 2.94Å; I11-A14 WeakPolarHBondContact O-CB 3.28Å; I11-A14 PolarHBondContact O-N 3.24Å; I11-A92 HydrophobicContact CD1-CB 3.54Å; I11-V93 HydrophobicContact CD1-CG2 3.62Å; I11-V93 HydrophobicContact CG1-CG2 3.79Å |
| 12 | S | 98.7 | Very high | 97.1 | Very high | 79 Ų | 79 | 72.7 Ų | 72.7 | 55% | 0.552 | 38% | 0.375 | S | S | * | . | G | 310 helix | trans | -65.6 | -21.4 | -179.8 | 89.2 | 0 | 0 | 0 | 0 | 112.9 | D10 A14 | D10-S12 PolarHBondContact O-N 3.08Å; D10-S12 WeakPolarHBondContact OD1-CB 3.35Å; D10-S12 PolarHBondContact OD1-N 3.35Å; D10-S12 PolarHBondContact OD1-OG 3.09Å; D10-S12 PolarHBondContact OD2-OG 3.36Å; S12-A14 PolarHBondContact O-N 3.29Å |
| 13 | L | 98.8 | Very high | 98.1 | Very high | 46 Ų | 46 | 70.4 Ų | 70.4 | 24% | 0.241 | 36% | 0.362 | C | S | . | . | G | 310 helix | trans | -72.2 | -9 | 179.1 | -57.6 | 177.9 | 0 | 0 | 0 | 113.8 | D10 I11 S15 W16 G17 D85 H86 A89 | D10-L13 HydrophobicContact CB-CD1 4.05Å; D10-L13 HydrophobicContact CB-CG 4.03Å; D10-L13 PolarHBondContact O-N 3.38Å; I11-L13 PolarHBondContact O-N 2.94Å; L13-S15 PolarHBondContact O-N 2.99Å; L13-S15 VanDerWaalsContact O-N 3.14Å; L13-W16 HydrophobicContact CD2-CE3 4.26Å; L13-W16 WeakPolarHBondContact O-CB 3.28Å; L13-W16 PolarHBondContact O-N 3.48Å; L13-G17 PolarHBondContact O-N 2.94Å; L13-D85 HydrophobicContact CD1-CB 3.9Å; L13-H86 HydrophobicContact CB-CB 3.87Å; L13-A89 HydrophobicContact CB-CB 4.05Å |
| 14 | A | 98.8 | Very high | 98.4 | Very high | 12 Ų | 12 | 67 Ų | 67 | 10% | 0.099 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -56.6 | -34.8 | -173.6 | 0 | 0 | 0 | 0 | 0 | 114.1 | I11 S12 W16 G17 R18 A89 V93 | I11-A14 WeakPolarHBondContact O-CB 3.28Å; I11-A14 PolarHBondContact O-N 3.24Å; S12-A14 PolarHBondContact O-N 3.29Å; A14-W16 VanDerWaalsContact C-N 3.34Å; A14-W16 PolarHBondContact O-N 2.74Å; A14-G17 PolarHBondContact O-N 2.98Å; A14-R18 WeakPolarHBondContact O-CB 3.49Å; A14-R18 PolarHBondContact O-N 3.02Å; A14-A89 HydrophobicContact CB-CB 4.08Å; A14-V93 HydrophobicContact CB-CB 3.95Å; A14-V93 HydrophobicContact CB-CG2 3.42Å; A14-V93 VanDerWaalsContact CB-CG2 3.42Å |
| 15 | S | 98.7 | Very high | 98.6 | Very high | 83 Ų | 83 | 66.7 Ų | 66.7 | 58% | 0.58 | 34% | 0.342 | S | S | * | . | H | α-helix | trans | -68 | -34 | 179.2 | 70.3 | 0 | 0 | 0 | 0 | 112.7 | L13 K19 | L13-S15 PolarHBondContact O-N 2.99Å; L13-S15 VanDerWaalsContact O-N 3.14Å; S15-K19 WeakPolarHBondContact O-CG 3.12Å; S15-K19 PolarHBondContact O-N 3.05Å |
| 16 | W | 98.8 | Very high | 98.7 | Very high | 123 Ų | 123 | 65.6 Ų | 65.6 | 47% | 0.466 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -72.2 | -48.9 | 172.6 | 170.3 | 23.3 | 0 | 0 | 0 | 110.3 | L13 A14 R18 K19 E20 H86 | L13-W16 HydrophobicContact CD2-CE3 4.26Å; L13-W16 WeakPolarHBondContact O-CB 3.28Å; L13-W16 PolarHBondContact O-N 3.48Å; A14-W16 VanDerWaalsContact C-N 3.34Å; A14-W16 PolarHBondContact O-N 2.74Å; W16-R18 VanDerWaalsContact C-N 3.27Å; W16-R18 PolarHBondContact O-N 3.43Å; W16-K19 WeakPolarHBondContact O-CB 3.21Å; W16-K19 PolarHBondContact O-N 2.88Å; W16-E20 VanDerWaalsContact NE1-CD 3.34Å; W16-E20 PolarHBondContact NE1-OE1 2.76Å; W16-E20 PolarHBondContact O-N 2.84Å; W16-E20 VanDerWaalsContact O-N 3.14Å; W16-H86 HydrophobicContact CD2-CB 3.91Å; W16-H86 AromaticContact CD2-CD2 3.83Å; W16-H86 AromaticContact CD2-CG 3.95Å; W16-H86 AromaticContact CE2-CD2 3.62Å; W16-H86 AromaticContact CE2-NE2 3.98Å; W16-H86 HydrophobicContact CE3-CB 3.67Å; W16-H86 AromaticContact CE3-CG 3.96Å; W16-H86 HydrophobicContact CG-CB 4.36Å; W16-H86 AromaticContact CZ2-CD2 3.94Å; W16-H86 AromaticContact CZ2-NE2 3.9Å; W16-H86 HydrophobicContact CZ3-CB 4.08Å; W16-H86 AromaticContact NE1-CD2 3.83Å |
| 17 | G | 98.9 | Very high | 98.8 | Very high | 0 Ų | 0 | 64.3 Ų | 64.3 | 0% | 0 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -53.1 | -44.2 | 176 | 0 | 0 | 0 | 0 | 0 | 112.9 | L13 A14 K19 E20 I21 H86 | L13-G17 PolarHBondContact O-N 2.94Å; A14-G17 PolarHBondContact O-N 2.98Å; G17-K19 VanDerWaalsContact C-N 3.32Å; G17-K19 PolarHBondContact O-N 3.36Å; G17-E20 PolarHBondContact O-N 2.63Å; G17-I21 VanDerWaalsContact O-CG1 3.28Å; G17-I21 WeakPolarHBondContact O-CG1 3.43Å; G17-I21 PolarHBondContact O-N 2.97Å; G17-H86 VanDerWaalsContact CA-O 3.29Å; G17-H86 WeakPolarHBondContact CA-O 3.35Å |
| 18 | R | 98.9 | Very high | 98.8 | Very high | 75 Ų | 75 | 60.5 Ų | 60.5 | 28% | 0.283 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -59.6 | -39.8 | 176.5 | -178.8 | 54.1 | 58.8 | -172.6 | -0.7 | 112.8 | A14 W16 I21 I22 E64 | A14-R18 WeakPolarHBondContact O-CB 3.49Å; A14-R18 PolarHBondContact O-N 3.02Å; W16-R18 VanDerWaalsContact C-N 3.27Å; W16-R18 PolarHBondContact O-N 3.43Å; R18-I21 PolarHBondContact O-N 3.32Å; R18-I22 HydrophobicContact CG-CD1 4.11Å; R18-I22 WeakPolarHBondContact O-CD1 3.46Å; R18-I22 VanDerWaalsContact O-CG1 3.3Å; R18-I22 WeakPolarHBondContact O-CG1 3.47Å; R18-I22 PolarHBondContact O-N 3.2Å; R18-E64 IonicContact CZ-OE1 3.24Å; R18-E64 VanDerWaalsContact CZ-OE1 3.22Å; R18-E64 IonicContact CZ-OE2 3.34Å; R18-E64 VanDerWaalsContact NH1-CD 3.28Å; R18-E64 IonicContact NH1-OE1 3.69Å; R18-E64 PolarHBondContact NH1-OE1 3.14Å; R18-E64 IonicContact NH1-OE2 2.68Å; R18-E64 PolarHBondContact NH1-OE2 3.01Å; R18-E64 IonicContact NH2-OE1 3.31Å; R18-E64 PolarHBondContact NH2-OE1 3.41Å |
| 19 | K | 98.9 | Very high | 98.8 | Very high | 141 Ų | 141 | 60.7 Ų | 60.7 | 61% | 0.613 | 32% | 0.318 | S | S | * | . | H | α-helix | trans | -64.6 | -42.9 | 177.7 | -70.1 | 171.3 | -177.1 | 175.9 | 0 | 111.3 | S15 W16 G17 I22 I23 | S15-K19 WeakPolarHBondContact O-CG 3.12Å; S15-K19 PolarHBondContact O-N 3.05Å; W16-K19 WeakPolarHBondContact O-CB 3.21Å; W16-K19 PolarHBondContact O-N 2.88Å; G17-K19 VanDerWaalsContact C-N 3.32Å; G17-K19 PolarHBondContact O-N 3.36Å; K19-I22 PolarHBondContact O-N 2.63Å; K19-I23 WeakPolarHBondContact O-CG1 3.4Å; K19-I23 PolarHBondContact O-N 3.22Å; K19-I23 VanDerWaalsContact O-N 3.16Å |
| 20 | E | 98.8 | Very high | 98.8 | Very high | 65 Ų | 65 | 57.9 Ų | 57.9 | 30% | 0.304 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -70.3 | -35.2 | 177.4 | -74.1 | -167 | -174.3 | 0 | 0 | 112.8 | W16 G17 I22 I23 A24 I57 H86 | W16-E20 VanDerWaalsContact NE1-CD 3.34Å; W16-E20 PolarHBondContact NE1-OE1 2.76Å; W16-E20 PolarHBondContact O-N 2.84Å; W16-E20 VanDerWaalsContact O-N 3.14Å; G17-E20 PolarHBondContact O-N 2.63Å; E20-I22 VanDerWaalsContact C-N 3.35Å; E20-I22 PolarHBondContact O-N 3.06Å; E20-I23 PolarHBondContact O-N 3.2Å; E20-A24 WeakPolarHBondContact O-CB 3.33Å; E20-A24 PolarHBondContact O-N 3.05Å; E20-I57 HydrophobicContact CB-CD1 3.55Å; E20-I57 HydrophobicContact CB-CG1 3.91Å; E20-I57 HydrophobicContact CB-CG2 4.23Å; E20-I57 WeakPolarHBondContact OE2-CG1 3.09Å; E20-H86 IonicContact OE1-NE2 2.79Å; E20-H86 IonicContact OE2-CD2 3.85Å; E20-H86 PolarHBondContact OE2-CD2 3.1Å; E20-H86 IonicContact OE2-CE1 2.67Å; E20-H86 IonicContact OE2-NE2 3.46Å; E20-H86 PolarHBondContact OE2-NE2 3.35Å |
| 21 | I | 98.9 | Very high | 98.8 | Very high | 0 Ų | 0 | 54.6 Ų | 54.6 | 0% | 0 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -57.8 | -47.6 | 171.3 | -71.1 | 166.1 | 0 | 0 | 0 | 110.4 | G17 R18 I23 A24 E25 I57 A60 V61 A90 | G17-I21 VanDerWaalsContact O-CG1 3.28Å; G17-I21 WeakPolarHBondContact O-CG1 3.43Å; G17-I21 PolarHBondContact O-N 2.97Å; R18-I21 PolarHBondContact O-N 3.32Å; I21-I23 VanDerWaalsContact C-N 3.29Å; I21-I23 PolarHBondContact O-N 3.06Å; I21-A24 CarbonylContact O-C 3.56Å; I21-A24 PolarHBondContact O-N 3.31Å; I21-A24 VanDerWaalsContact O-N 3.12Å; I21-E25 HydrophobicContact CG2-CG 4.37Å; I21-E25 WeakPolarHBondContact O-CG 3.41Å; I21-E25 PolarHBondContact O-N 3.32Å; I21-I57 HydrophobicContact CG1-CD1 3.96Å; I21-I57 HydrophobicContact CG1-CG2 4.44Å; I21-A60 HydrophobicContact CD1-CB 3.64Å; I21-A60 HydrophobicContact CG1-CB 3.84Å; I21-V61 HydrophobicContact CG2-CG2 4.19Å; I21-A90 HydrophobicContact CD1-CB 3.66Å |
| 22 | I | 98.8 | Very high | 98.8 | Very high | 96 Ų | 96 | 54 Ų | 54 | 49% | 0.492 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -60.9 | -39.1 | 178.7 | -68.7 | 163.3 | 0 | 0 | 0 | 111.5 | R18 K19 E20 | R18-I22 HydrophobicContact CG-CD1 4.11Å; R18-I22 WeakPolarHBondContact O-CD1 3.46Å; R18-I22 VanDerWaalsContact O-CG1 3.3Å; R18-I22 WeakPolarHBondContact O-CG1 3.47Å; R18-I22 PolarHBondContact O-N 3.2Å; K19-I22 PolarHBondContact O-N 2.63Å; E20-I22 VanDerWaalsContact C-N 3.35Å; E20-I22 PolarHBondContact O-N 3.06Å |
| 23 | I | 98.8 | Very high | 98.8 | Very high | 116 Ų | 116 | 51.4 Ų | 51.4 | 60% | 0.595 | 26% | 0.257 | S | S | * | . | H | α-helix | trans | -66.1 | -44.6 | 175 | -66.6 | 167.1 | 0 | 0 | 0 | 110.3 | K19 E20 I21 N26 E27 | K19-I23 WeakPolarHBondContact O-CG1 3.4Å; K19-I23 PolarHBondContact O-N 3.22Å; K19-I23 VanDerWaalsContact O-N 3.16Å; E20-I23 PolarHBondContact O-N 3.2Å; I21-I23 VanDerWaalsContact C-N 3.29Å; I21-I23 PolarHBondContact O-N 3.06Å; I23-N26 WeakPolarHBondContact O-CB 3.41Å; I23-N26 PolarHBondContact O-N 3.44Å; I23-E27 PolarHBondContact O-N 2.95Å |
| 24 | A | 98.8 | Very high | 98.8 | Very high | 3 Ų | 3 | 49.2 Ų | 49.2 | 3% | 0.025 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -65.1 | -38.4 | 179.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | E20 I21 N26 E27 M28 I57 V61 | E20-A24 WeakPolarHBondContact O-CB 3.33Å; E20-A24 PolarHBondContact O-N 3.05Å; I21-A24 CarbonylContact O-C 3.56Å; I21-A24 PolarHBondContact O-N 3.31Å; I21-A24 VanDerWaalsContact O-N 3.12Å; A24-N26 PolarHBondContact O-N 2.88Å; A24-E27 CarbonylContact O-C 3.57Å; A24-E27 WeakPolarHBondContact O-CA 3.42Å; A24-E27 PolarHBondContact O-N 3.03Å; A24-M28 HydrophobicContact CB-SD 4.41Å; A24-M28 WeakPolarHBondContact O-CG 3.5Å; A24-M28 PolarHBondContact O-N 3.31Å; A24-I57 HydrophobicContact CB-CG2 3.5Å; A24-V61 HydrophobicContact CB-CG2 4.04Å |
| 25 | E | 98.8 | Very high | 98.8 | Very high | 42 Ų | 42 | 50.7 Ų | 50.7 | 20% | 0.196 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -54.2 | -39.3 | 174.6 | -76.4 | -179.8 | 154.5 | 0 | 0 | 111.9 | I21 E27 M28 M32 R35 V61 | I21-E25 HydrophobicContact CG2-CG 4.37Å; I21-E25 WeakPolarHBondContact O-CG 3.41Å; I21-E25 PolarHBondContact O-N 3.32Å; E25-E27 VanDerWaalsContact C-N 3.27Å; E25-E27 PolarHBondContact O-N 3.28Å; E25-M28 PolarHBondContact O-N 3.36Å; E25-M28 VanDerWaalsContact O-N 3.16Å; E25-M32 HydrophobicContact CB-CE 4.27Å; E25-M32 HydrophobicContact CB-SD 3.87Å; E25-M32 HydrophobicContact CG-CE 3.92Å; E25-M32 HydrophobicContact CG-SD 3.98Å; E25-M32 VanDerWaalsContact O-CG 3.27Å; E25-M32 WeakPolarHBondContact O-CG 2.95Å; E25-R35 IonicContact OE1-CZ 3.99Å; E25-R35 IonicContact OE1-NH1 2.77Å; E25-R35 PolarHBondContact OE1-NH1 2.92Å; E25-R35 IonicContact OE1-NH2 3.97Å; E25-V61 HydrophobicContact CG-CG1 3.98Å; E25-V61 HydrophobicContact CG-CG2 4.05Å |
| 26 | N | 98.5 | Very high | 98.7 | Very high | 110 Ų | 110 | 54.7 Ų | 54.7 | 59% | 0.588 | 26% | 0.259 | S | S | * | . | H | α-helix | trans | -66.9 | -28.5 | 176 | -174.6 | 52.3 | 0 | 0 | 0 | 112.8 | I23 A24 K401 | I23-N26 WeakPolarHBondContact O-CB 3.41Å; I23-N26 PolarHBondContact O-N 3.44Å; A24-N26 PolarHBondContact O-N 2.88Å; N26-K401 PolarHBondContact ND2-NZ 2.85Å; N26-K401 WeakPolarHBondContact O-CE 3.45Å; N26-K401 PolarHBondContact O-NZ 3.36Å; N26-K401 PolarHBondContact OD1-NZ 3.19Å |
| 27 | E | 98.8 | Very high | 98.7 | Very high | 70 Ų | 70 | 53.5 Ų | 53.5 | 33% | 0.327 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -90.3 | -1.2 | 175 | -72.5 | -56.5 | 112.9 | 0 | 0 | 113.4 | I23 A24 E25 P29 F356 K401 | I23-E27 PolarHBondContact O-N 2.95Å; A24-E27 CarbonylContact O-C 3.57Å; A24-E27 WeakPolarHBondContact O-CA 3.42Å; A24-E27 PolarHBondContact O-N 3.03Å; E25-E27 VanDerWaalsContact C-N 3.27Å; E25-E27 PolarHBondContact O-N 3.28Å; E27-P29 WeakPolarHBondContact O-CD 3.17Å; E27-F356 WeakPolarHBondContact O-CA 3.37Å; E27-K401 WeakPolarHBondContact OE1-CE 3.28Å; E27-K401 IonicContact OE1-NZ 3.57Å; E27-K401 PolarHBondContact OE1-NZ 3.1Å |
| 28 | M | 98.9 | Very high | 98.6 | Very high | 0 Ų | 0 | 55.6 Ų | 55.6 | 0% | 0 | 27% | 0.265 | C | S | . | . | trans | -115.3 | 62 | -177.6 | -63.9 | -179.6 | 90.1 | 0 | 0 | 112.8 | A24 E25 G30 L31 M32 Q58 V61 S355 M358 S359 F362 | A24-M28 HydrophobicContact CB-SD 4.41Å; A24-M28 WeakPolarHBondContact O-CG 3.5Å; A24-M28 PolarHBondContact O-N 3.31Å; E25-M28 PolarHBondContact O-N 3.36Å; E25-M28 VanDerWaalsContact O-N 3.16Å; M28-G30 VanDerWaalsContact C-N 3.26Å; M28-G30 PolarHBondContact O-N 2.92Å; M28-L31 HydrophobicContact CB-CB 4.45Å; M28-L31 HydrophobicContact CE-CD1 3.47Å; M28-L31 VanDerWaalsContact CE-CD1 3.47Å; M28-L31 HydrophobicContact CE-CG 4.38Å; M28-L31 PolarHBondContact O-N 3.43Å; M28-L31 HydrophobicContact SD-CD1 4.27Å; M28-M32 WeakPolarHBondContact O-CG 3.26Å; M28-M32 PolarHBondContact O-N 2.87Å; M28-M32 VanDerWaalsContact O-N 3.1Å; M28-Q58 HydrophobicContact CE-CB 4.09Å; M28-Q58 HydrophobicContact SD-CB 4.44Å; M28-V61 HydrophobicContact CB-CG1 4.45Å; M28-V61 HydrophobicContact CE-CB 4.36Å; M28-V61 HydrophobicContact SD-CB 3.6Å; M28-V61 HydrophobicContact SD-CG1 3.82Å; M28-V61 HydrophobicContact SD-CG2 3.68Å; M28-S355 WeakPolarHBondContact CG-O 3.38Å; M28-M358 HydrophobicContact CE-CB 4.3Å; M28-S359 VanDerWaalsContact C-OG 3.24Å; M28-S359 WeakPolarHBondContact CA-OG 3.41Å; M28-F362 HydrophobicContact CE-CD2 3.81Å | ||
| 29 | P | 98.8 | Very high | 98.6 | Very high | 24 Ų | 24 | 52.2 Ų | 52.2 | 16% | 0.156 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -63.1 | -30.3 | -171 | 28.2 | -36.8 | 0 | 0 | 0 | 113.3 | E27 M32 A33 F356 H398 K401 | E27-P29 WeakPolarHBondContact O-CD 3.17Å; P29-M32 PolarHBondContact O-N 2.78Å; P29-A33 VanDerWaalsContact O-CB 3.29Å; P29-A33 WeakPolarHBondContact O-CB 3.38Å; P29-A33 PolarHBondContact O-N 3.37Å; P29-F356 HydrophobicContact CG-CE2 4.08Å; P29-H398 HydrophobicContact CG-CB 4.45Å; P29-K401 HydrophobicContact CB-CB 4.22Å; P29-K401 HydrophobicContact CG-CB 3.92Å; P29-K401 HydrophobicContact CG-CG 4.27Å |
| 30 | G | 98.8 | Very high | 98.5 | Very high | 0 Ų | 0 | 55.2 Ų | 55.2 | 0% | 0 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -63.5 | -51 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | M28 M32 A33 I34 S359 T363 | M28-G30 VanDerWaalsContact C-N 3.26Å; M28-G30 PolarHBondContact O-N 2.92Å; G30-M32 VanDerWaalsContact C-N 3.33Å; G30-M32 PolarHBondContact O-N 2.9Å; G30-A33 PolarHBondContact O-N 3.25Å; G30-I34 WeakPolarHBondContact O-CG1 3.21Å; G30-I34 PolarHBondContact O-N 3.29Å; G30-S359 PolarHBondContact N-OG 2.74Å; G30-T363 VanDerWaalsContact C-OG1 3.22Å; G30-T363 VanDerWaalsContact CA-OG1 3.28Å; G30-T363 WeakPolarHBondContact CA-OG1 3.17Å |
| 31 | L | 98.8 | Very high | 98.5 | Very high | 0 Ų | 0 | 58.1 Ų | 58.1 | 0% | 0 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -62.5 | -41 | 176 | -69.1 | -174 | 0 | 0 | 0 | 112 | M28 A33 I34 R35 V61 L62 T65 F362 T363 M366 | M28-L31 HydrophobicContact CB-CB 4.45Å; M28-L31 HydrophobicContact CE-CD1 3.47Å; M28-L31 VanDerWaalsContact CE-CD1 3.47Å; M28-L31 HydrophobicContact CE-CG 4.38Å; M28-L31 PolarHBondContact O-N 3.43Å; M28-L31 HydrophobicContact SD-CD1 4.27Å; L31-A33 VanDerWaalsContact C-N 3.34Å; L31-A33 PolarHBondContact O-N 2.83Å; L31-I34 PolarHBondContact O-N 2.96Å; L31-R35 WeakPolarHBondContact O-CG 3.35Å; L31-R35 PolarHBondContact O-N 2.77Å; L31-V61 HydrophobicContact CB-CG1 4.36Å; L31-V61 HydrophobicContact CD1-CB 4.16Å; L31-V61 HydrophobicContact CD1-CG1 3.72Å; L31-L62 HydrophobicContact CD1-CB 4.34Å; L31-T65 HydrophobicContact CD2-CG2 4.36Å; L31-F362 HydrophobicContact CD1-CB 3.98Å; L31-F362 HydrophobicContact CD2-CB 3.98Å; L31-F362 HydrophobicContact CG-CB 4.25Å; L31-T363 PolarHBondContact N-OG1 2.99Å; L31-M366 HydrophobicContact CD2-CG 3.67Å |
| 32 | M | 98.8 | Very high | 98.5 | Very high | 49 Ų | 49 | 61.5 Ų | 61.5 | 24% | 0.241 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -64 | -40.3 | 178.2 | -64.9 | -52.2 | 98 | 0 | 0 | 111.9 | E25 M28 P29 G30 I34 R35 E36 V61 | E25-M32 HydrophobicContact CB-CE 4.27Å; E25-M32 HydrophobicContact CB-SD 3.87Å; E25-M32 HydrophobicContact CG-CE 3.92Å; E25-M32 HydrophobicContact CG-SD 3.98Å; E25-M32 VanDerWaalsContact O-CG 3.27Å; E25-M32 WeakPolarHBondContact O-CG 2.95Å; M28-M32 WeakPolarHBondContact O-CG 3.26Å; M28-M32 PolarHBondContact O-N 2.87Å; M28-M32 VanDerWaalsContact O-N 3.1Å; P29-M32 PolarHBondContact O-N 2.78Å; G30-M32 VanDerWaalsContact C-N 3.33Å; G30-M32 PolarHBondContact O-N 2.9Å; M32-I34 VanDerWaalsContact C-N 3.35Å; M32-R35 WeakPolarHBondContact O-CB 2.76Å; M32-R35 PolarHBondContact O-N 3.36Å; M32-E36 PolarHBondContact O-N 3.24Å; M32-V61 HydrophobicContact CE-CG1 3.47Å; M32-V61 VanDerWaalsContact CE-CG1 3.47Å |
| 33 | A | 98.6 | Very high | 98.5 | Very high | 24 Ų | 24 | 58.2 Ų | 58.2 | 20% | 0.198 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -66 | -36.4 | 175 | 0 | 0 | 0 | 0 | 0 | 112.5 | P29 G30 L31 E36 K37 L397 | P29-A33 VanDerWaalsContact O-CB 3.29Å; P29-A33 WeakPolarHBondContact O-CB 3.38Å; P29-A33 PolarHBondContact O-N 3.37Å; G30-A33 PolarHBondContact O-N 3.25Å; L31-A33 VanDerWaalsContact C-N 3.34Å; L31-A33 PolarHBondContact O-N 2.83Å; A33-E36 PolarHBondContact O-N 3.1Å; A33-K37 VanDerWaalsContact O-CB 3.26Å; A33-K37 WeakPolarHBondContact O-CB 3.2Å; A33-K37 PolarHBondContact O-N 3.19Å; A33-L397 HydrophobicContact CB-CD1 4.19Å; A33-L397 HydrophobicContact CB-CD2 3.62Å; A33-L397 HydrophobicContact CB-CG 4.34Å |
| 34 | I | 98.4 | Very high | 98.5 | Very high | 1 Ų | 1 | 52.7 Ų | 52.7 | 1% | 0.005 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -62.9 | -43.4 | 172.8 | -69.6 | -63.8 | 0 | 0 | 0 | 111 | G30 L31 M32 K37 Y38 T65 L69 T363 M366 L367 | G30-I34 WeakPolarHBondContact O-CG1 3.21Å; G30-I34 PolarHBondContact O-N 3.29Å; L31-I34 PolarHBondContact O-N 2.96Å; M32-I34 VanDerWaalsContact C-N 3.35Å; I34-K37 PolarHBondContact O-N 3.38Å; I34-Y38 HydrophobicContact CD1-CD2 4.01Å; I34-Y38 HydrophobicContact CD1-CE2 3.81Å; I34-Y38 HydrophobicContact CG2-CD2 4.13Å; I34-Y38 WeakPolarHBondContact O-CB 3.17Å; I34-Y38 PolarHBondContact O-N 3.24Å; I34-T65 HydrophobicContact CG2-CG2 4.07Å; I34-L69 HydrophobicContact CG2-CD1 4.12Å; I34-L69 HydrophobicContact CG2-CD2 3.69Å; I34-T363 HydrophobicContact CD1-CG2 4.28Å; I34-T363 HydrophobicContact CG1-CG2 3.85Å; I34-M366 HydrophobicContact CG2-CB 4.11Å; I34-M366 HydrophobicContact CG2-CG 4.43Å; I34-L367 HydrophobicContact CD1-CD2 3.73Å; I34-L367 HydrophobicContact CD1-CG 4.26Å |
| 35 | R | 98.7 | Very high | 98.4 | Very high | 42 Ų | 42 | 60.3 Ų | 60.3 | 16% | 0.158 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -59.6 | -45.8 | 173.8 | -67.9 | -176.9 | -173.9 | -176 | 2.7 | 111.5 | E25 L31 M32 G39 V61 E64 T65 E68 | E25-R35 IonicContact OE1-CZ 3.99Å; E25-R35 IonicContact OE1-NH1 2.77Å; E25-R35 PolarHBondContact OE1-NH1 2.92Å; E25-R35 IonicContact OE1-NH2 3.97Å; L31-R35 WeakPolarHBondContact O-CG 3.35Å; L31-R35 PolarHBondContact O-N 2.77Å; M32-R35 WeakPolarHBondContact O-CB 2.76Å; M32-R35 PolarHBondContact O-N 3.36Å; R35-G39 WeakPolarHBondContact O-CA 3.37Å; R35-G39 PolarHBondContact O-N 3.44Å; R35-V61 PolarHBondContact NH2-O 2.77Å; R35-E64 VanDerWaalsContact NH2-CB 3.33Å; R35-T65 HydrophobicContact CG-CG2 3.74Å; R35-T65 PolarHBondContact NE-OG1 2.74Å; R35-T65 PolarHBondContact NH2-OG1 2.88Å; R35-E68 HydrophobicContact CB-CG 4.31Å; R35-E68 HydrophobicContact CG-CB 4.32Å; R35-E68 HydrophobicContact CG-CG 4.18Å |
| 36 | E | 98.4 | Very high | 98.4 | Very high | 168 Ų | 168 | 60.2 Ų | 60.2 | 79% | 0.785 | 30% | 0.297 | S | S | * | . | H | α-helix | trans | -61.7 | -48.3 | 178.5 | -175.9 | 178.3 | -175.7 | 0 | 0 | 111.9 | M32 A33 | M32-E36 PolarHBondContact O-N 3.24Å; A33-E36 PolarHBondContact O-N 3.1Å |
| 37 | K | 97.4 | Very high | 98.4 | Very high | 98 Ų | 98 | 55 Ų | 55 | 43% | 0.426 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -69.5 | -43.3 | -176.2 | -175.7 | 174.8 | 176.6 | -165.7 | 0 | 112.7 | A33 I34 E393 | A33-K37 VanDerWaalsContact O-CB 3.26Å; A33-K37 WeakPolarHBondContact O-CB 3.2Å; A33-K37 PolarHBondContact O-N 3.19Å; I34-K37 PolarHBondContact O-N 3.38Å; K37-E393 IonicContact NZ-OE1 2.59Å; K37-E393 PolarHBondContact NZ-OE1 2.94Å; K37-E393 IonicContact NZ-OE2 2.67Å |
| 38 | Y | 97.8 | Very high | 98.4 | Very high | 44 Ų | 44 | 53.6 Ų | 53.6 | 17% | 0.173 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -112.2 | -14.2 | -168.8 | -64.9 | -73.1 | 0 | 0 | 0 | 114.8 | I34 K40 L41 K42 P43 I370 | I34-Y38 HydrophobicContact CD1-CD2 4.01Å; I34-Y38 HydrophobicContact CD1-CE2 3.81Å; I34-Y38 HydrophobicContact CG2-CD2 4.13Å; I34-Y38 WeakPolarHBondContact O-CB 3.17Å; I34-Y38 PolarHBondContact O-N 3.24Å; Y38-K40 VanDerWaalsContact C-N 3.29Å; Y38-K40 PolarHBondContact O-N 3.17Å; Y38-L41 HydrophobicContact CD1-CD1 4.14Å; Y38-L41 WeakPolarHBondContact O-CB 3.28Å; Y38-L41 PolarHBondContact O-N 2.68Å; Y38-K42 PolarHBondContact O-N 3.45Å; Y38-P43 HydrophobicContact CD1-CG 4.34Å; Y38-P43 HydrophobicContact CG-CG 4.43Å; Y38-P43 VanDerWaalsContact O-CD 3.29Å; Y38-P43 WeakPolarHBondContact O-CD 3.45Å; Y38-I370 HydrophobicContact CD2-CD1 4.11Å; Y38-I370 HydrophobicContact CE2-CD1 4.29Å; Y38-I370 HydrophobicContact CG-CD1 4.32Å |
| 39 | G | 97.7 | Very high | 98.4 | Very high | 3 Ų | 3 | 53.6 Ų | 53.6 | 3% | 0.031 | 26% | 0.261 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -57.6 | -38.8 | -174.5 | 0 | 0 | 0 | 0 | 0 | 113.4 | R35 K42 | R35-G39 WeakPolarHBondContact O-CA 3.37Å; R35-G39 PolarHBondContact O-N 3.44Å; G39-K42 WeakPolarHBondContact O-CD 3.42Å; G39-K42 WeakPolarHBondContact O-CE 3.39Å; G39-K42 WeakPolarHBondContact O-CG 3.42Å; G39-K42 PolarHBondContact O-NZ 2.93Å |
| 40 | K | 97.8 | Very high | 98.4 | Very high | 204 Ų | 204 | 52.5 Ų | 52.5 | 89% | 0.887 | 25% | 0.253 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.5 | -29.9 | 175.8 | -65.9 | -178.5 | -176.7 | 173.9 | 0 | 113.5 | Y38 | Y38-K40 VanDerWaalsContact C-N 3.29Å; Y38-K40 PolarHBondContact O-N 3.17Å |
| 41 | L | 98.1 | Very high | 98.4 | Very high | 127 Ų | 127 | 52.5 Ų | 52.5 | 67% | 0.665 | 25% | 0.253 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79.1 | -22.8 | -178.5 | -61.2 | 175.9 | 0 | 0 | 0 | 112 | Y38 | Y38-L41 HydrophobicContact CD1-CD1 4.14Å; Y38-L41 WeakPolarHBondContact O-CB 3.28Å; Y38-L41 PolarHBondContact O-N 2.68Å |
| 42 | K | 98.5 | Very high | 98.4 | Very high | 71 Ų | 71 | 52.5 Ų | 52.5 | 31% | 0.309 | 25% | 0.253 | S | S | . | . | trans | 45.4 | 54.2 | -176 | -57.9 | -67.4 | 177.9 | -167.5 | 0 | 112 | Y38 G39 L44 K45 E68 L69 | Y38-K42 PolarHBondContact O-N 3.45Å; G39-K42 WeakPolarHBondContact O-CD 3.42Å; G39-K42 WeakPolarHBondContact O-CE 3.39Å; G39-K42 WeakPolarHBondContact O-CG 3.42Å; G39-K42 PolarHBondContact O-NZ 2.93Å; K42-L44 PolarHBondContact O-N 2.71Å; K42-L44 VanDerWaalsContact O-N 3.11Å; K42-K45 HydrophobicContact CB-CB 4.42Å; K42-K45 VanDerWaalsContact O-CB 3.29Å; K42-K45 WeakPolarHBondContact O-CB 3.46Å; K42-K45 PolarHBondContact O-N 3.07Å; K42-E68 VanDerWaalsContact CD-O 3.24Å; K42-E68 WeakPolarHBondContact CD-O 3.36Å; K42-E68 WeakPolarHBondContact CE-O 3.34Å; K42-E68 PolarHBondContact NZ-O 3Å; K42-E68 IonicContact NZ-OE1 2.78Å; K42-E68 PolarHBondContact NZ-OE1 3.34Å; K42-E68 IonicContact NZ-OE2 3.52Å; K42-L69 CarbonylContact C-O 3.58Å; K42-L69 WeakPolarHBondContact CA-O 3.43Å | ||
| 43 | P | 98.5 | Very high | 98.4 | Very high | 26 Ų | 26 | 50.2 Ų | 50.2 | 17% | 0.169 | 24% | 0.242 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -61.6 | -24.9 | -172.1 | 27.6 | -36.5 | 0 | 0 | 0 | 113.2 | Y38 K45 L69 I370 T374 | Y38-P43 HydrophobicContact CD1-CG 4.34Å; Y38-P43 HydrophobicContact CG-CG 4.43Å; Y38-P43 VanDerWaalsContact O-CD 3.29Å; Y38-P43 WeakPolarHBondContact O-CD 3.45Å; P43-K45 VanDerWaalsContact C-N 3.31Å; P43-L69 WeakPolarHBondContact CD-O 3.46Å; P43-L69 HydrophobicContact CG-CB 4.4Å; P43-L69 HydrophobicContact CG-CD2 4.3Å; P43-L69 HydrophobicContact CG-CG 4.21Å; P43-I370 HydrophobicContact CG-CD1 4.47Å; P43-I370 HydrophobicContact CG-CG1 4.18Å; P43-T374 HydrophobicContact CB-CG2 3.98Å; P43-T374 WeakPolarHBondContact O-CG2 3.42Å |
| 44 | L | 98.8 | Very high | 98.4 | Very high | 0 Ų | 0 | 49.9 Ų | 49.9 | 0% | 0 | 24% | 0.237 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -91 | 12.7 | 179.1 | -59 | 180 | 0 | 0 | 0 | 113 | K42 G46 A47 L66 L69 G70 A71 Q369 I370 W373 | K42-L44 PolarHBondContact O-N 2.71Å; K42-L44 VanDerWaalsContact O-N 3.11Å; L44-G46 PolarHBondContact O-N 2.99Å; L44-A47 HydrophobicContact CB-CB 4.18Å; L44-A47 WeakPolarHBondContact O-CB 3.28Å; L44-A47 PolarHBondContact O-N 3.33Å; L44-L66 HydrophobicContact CD1-CD2 3.57Å; L44-L69 HydrophobicContact CB-CB 4.33Å; L44-L69 WeakPolarHBondContact CB-O 3.37Å; L44-L69 HydrophobicContact CD1-CB 3.87Å; L44-L69 HydrophobicContact CD1-CD2 4.27Å; L44-L69 HydrophobicContact CG-CB 4.08Å; L44-L69 PolarHBondContact N-O 3.29Å; L44-G70 CarbonylContact O-C 2.99Å; L44-A71 HydrophobicContact CB-CB 3.92Å; L44-A71 HydrophobicContact CD1-CB 4.31Å; L44-Q369 HydrophobicContact CD2-CB 4.5Å; L44-I370 HydrophobicContact CD2-CG1 4.17Å; L44-I370 HydrophobicContact CG-CG1 4.37Å; L44-W373 HydrophobicContact CD2-CB 3.84Å; L44-W373 HydrophobicContact CD2-CG 4.13Å |
| 45 | K | 98.5 | Very high | 98.4 | Very high | 164 Ų | 164 | 49.9 Ų | 49.9 | 71% | 0.713 | 24% | 0.236 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -55.1 | 125.9 | 174.5 | -173.9 | 176.8 | 180 | -180 | 0 | 110.4 | K42 P43 A47 G70 W373 | K42-K45 HydrophobicContact CB-CB 4.42Å; K42-K45 VanDerWaalsContact O-CB 3.29Å; K42-K45 WeakPolarHBondContact O-CB 3.46Å; K42-K45 PolarHBondContact O-N 3.07Å; P43-K45 VanDerWaalsContact C-N 3.31Å; K45-A47 VanDerWaalsContact C-N 3.32Å; K45-G70 WeakPolarHBondContact CA-O 3.36Å; K45-W373 PolarHBondContact O-NE1 2.91Å |
| 46 | G | 97.9 | Very high | 98.4 | Very high | 39 Ų | 39 | 48.2 Ų | 48.2 | 40% | 0.402 | 23% | 0.231 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 88.6 | -9.9 | -177.2 | 0 | 0 | 0 | 0 | 0 | 114.6 | L44 N126 W373 | L44-G46 PolarHBondContact O-N 2.99Å; G46-N126 PolarHBondContact O-ND2 3.22Å; G46-W373 WeakPolarHBondContact O-CH2 3.28Å |
| 47 | A | 98.6 | Very high | 98.4 | Very high | 0 Ų | 0 | 40.4 Ų | 40.4 | 0% | 0 | 20% | 0.195 | C | C | . | . | trans | -69.6 | 138.4 | 168.9 | 0 | 0 | 0 | 0 | 0 | 109.7 | L44 K45 V49 A71 Q72 N126 M127 W373 | L44-A47 HydrophobicContact CB-CB 4.18Å; L44-A47 WeakPolarHBondContact O-CB 3.28Å; L44-A47 PolarHBondContact O-N 3.33Å; K45-A47 VanDerWaalsContact C-N 3.32Å; A47-V49 HydrophobicContact CB-CG2 4.12Å; A47-A71 HydrophobicContact CB-CB 4.21Å; A47-Q72 PolarHBondContact O-N 3.43Å; A47-N126 WeakPolarHBondContact CA-OD1 3.06Å; A47-M127 HydrophobicContact CB-CG 4.28Å; A47-W373 HydrophobicContact CB-CD2 3.85Å; A47-W373 HydrophobicContact CB-CE3 4.11Å; A47-W373 HydrophobicContact CB-CG 4.27Å; A47-W373 HydrophobicContact CB-CZ2 4.28Å; A47-W373 HydrophobicContact CB-CZ3 4.46Å | ||
| 48 | R | 98.8 | Very high | 98.5 | Very high | 42 Ų | 42 | 36.5 Ų | 36.5 | 16% | 0.158 | 18% | 0.178 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.8 | 87.5 | 175.5 | -71.9 | -175.8 | -56.1 | -84.5 | -1.1 | 106.2 | Q72 F119 P124 L125 N126 M127 | R48-Q72 WeakPolarHBondContact CA-O 3.35Å; R48-Q72 HydrophobicContact CG-CB 4.23Å; R48-F119 HydrophobicContact CB-CD1 3.92Å; R48-F119 HydrophobicContact CB-CD2 3.79Å; R48-F119 HydrophobicContact CB-CE1 3.74Å; R48-F119 HydrophobicContact CB-CE2 3.66Å; R48-F119 HydrophobicContact CB-CG 3.95Å; R48-F119 HydrophobicContact CB-CZ 3.63Å; R48-F119 HydrophobicContact CG-CD1 3.88Å; R48-F119 HydrophobicContact CG-CD2 4.3Å; R48-F119 HydrophobicContact CG-CE1 4.13Å; R48-F119 HydrophobicContact CG-CG 3.98Å; R48-F119 HydrophobicContact CG-CZ 4.49Å; R48-P124 PolarHBondContact NE-O 3.45Å; R48-P124 PolarHBondContact NH2-O 2.83Å; R48-P124 VanDerWaalsContact NH2-O 3.09Å; R48-L125 WeakPolarHBondContact O-CA 3.33Å; R48-N126 VanDerWaalsContact CZ-ND2 3.27Å; R48-N126 PolarHBondContact N-OD1 2.85Å; R48-N126 PolarHBondContact NH1-ND2 2.85Å; R48-N126 PolarHBondContact NH2-ND2 3.45Å; R48-N126 PolarHBondContact O-N 3.19Å; R48-N126 PolarHBondContact O-OD1 2.9Å; R48-M127 PolarHBondContact O-N 3.48Å |
| 49 | V | 98.9 | Very high | 98.6 | Very high | 0 Ų | 0 | 34.4 Ų | 34.4 | 0% | 0 | 17% | 0.17 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.9 | 113.2 | -170.8 | -175.8 | 0 | 0 | 0 | 0 | 109.1 | A47 L66 A71 Q72 V73 Q74 M127 L129 | A47-V49 HydrophobicContact CB-CG2 4.12Å; V49-L66 HydrophobicContact CG1-CD1 4.12Å; V49-L66 HydrophobicContact CG2-CD2 4.35Å; V49-A71 HydrophobicContact CG2-CB 4Å; V49-Q72 PolarHBondContact N-O 2.84Å; V49-V73 WeakPolarHBondContact O-CA 3.43Å; V49-Q74 PolarHBondContact O-N 3.2Å; V49-M127 HydrophobicContact CB-CB 4.4Å; V49-M127 HydrophobicContact CG2-CB 3.88Å; V49-L129 HydrophobicContact CG1-CB 4.08Å |
| 50 | A | 98.9 | Very high | 98.6 | Very high | 0 Ų | 0 | 34.3 Ų | 34.3 | 0% | 0 | 17% | 0.168 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.8 | 122.7 | 164.7 | 0 | 0 | 0 | 0 | 0 | 108.4 | Q74 L125 M127 L129 L135 | A50-Q74 WeakPolarHBondContact CA-O 3.41Å; A50-L125 HydrophobicContact CB-CB 3.96Å; A50-L125 HydrophobicContact CB-CD1 3.56Å; A50-L125 HydrophobicContact CB-CG 4.41Å; A50-M127 PolarHBondContact N-O 3.23Å; A50-L129 PolarHBondContact O-N 3.14Å; A50-L135 HydrophobicContact CB-CD2 3.84Å; A50-L135 WeakPolarHBondContact O-CD2 3.49Å |
| 51 | G | 98.9 | Very high | 98.7 | Very high | 0 Ų | 0 | 24.6 Ų | 24.6 | 0% | 0 | 13% | 0.126 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.2 | 133.1 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | Q74 W75 S76 L129 | G51-Q74 PolarHBondContact N-O 3.5Å; G51-W75 WeakPolarHBondContact O-CA 3.29Å; G51-S76 PolarHBondContact O-N 2.7Å; G51-S76 PolarHBondContact O-OG 2.99Å; G51-L129 VanDerWaalsContact CA-O 3.31Å; G51-L129 WeakPolarHBondContact CA-O 3.49Å |
| 52 | C | 98.8 | Very high | 98.7 | Very high | 0 Ų | 0 | 18.5 Ų | 18.5 | 0% | 0 | 10% | 0.095 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.6 | 93 | 166.2 | -172.4 | 0 | 0 | 0 | 0 | 107.9 | S76 L129 D130 D131 L135 | C52-S76 WeakPolarHBondContact CA-O 3.19Å; C52-L129 PolarHBondContact N-O 2.85Å; C52-D130 CarbonylContact O-C 3.49Å; C52-D131 PolarHBondContact O-N 3.21Å; C52-L135 HydrophobicContact CB-CB 3.52Å; C52-L135 HydrophobicContact CB-CD2 3.98Å; C52-L135 HydrophobicContact CB-CG 4.37Å |
| 53 | L | 98.6 | Very high | 98.7 | Very high | 2 Ų | 2 | 15.1 Ų | 15.1 | 1% | 0.01 | 8% | 0.08 | C | C | . | . | S | Bend | trans | -156 | 141.7 | -175.9 | -165.9 | 151.3 | 0 | 0 | 0 | 108.2 | M55 T59 W75 S76 L129 D131 E156 F362 | L53-M55 PolarHBondContact O-N 3.35Å; L53-M55 VanDerWaalsContact O-N 3.1Å; L53-T59 HydrophobicContact CD2-CG2 3.9Å; L53-T59 WeakPolarHBondContact CD2-OG1 3.29Å; L53-W75 HydrophobicContact CB-CZ2 3.97Å; L53-W75 PolarHBondContact O-NE1 3.28Å; L53-W75 VanDerWaalsContact O-NE1 3.12Å; L53-S76 PolarHBondContact N-O 3.11Å; L53-S76 VanDerWaalsContact N-O 3.13Å; L53-L129 HydrophobicContact CB-CD2 4.28Å; L53-L129 HydrophobicContact CD1-CD2 3.69Å; L53-D131 HydrophobicContact CB-CB 3.99Å; L53-D131 HydrophobicContact CD1-CB 3.92Å; L53-D131 HydrophobicContact CG-CB 3.64Å; L53-E156 HydrophobicContact CD1-CB 4.46Å; L53-E156 HydrophobicContact CD1-CG 4.5Å; L53-F362 HydrophobicContact CD1-CE1 3.9Å; L53-F362 HydrophobicContact CD1-CZ 4.42Å; L53-F362 HydrophobicContact CD2-CE1 3.95Å; L53-F362 HydrophobicContact CD2-CZ 3.66Å |
| 54 | H | 98.5 | Very high | 98.7 | Very high | 17 Ų | 17 | 15.2 Ų | 15.2 | 8% | 0.079 | 8% | 0.078 | C | C | . | . | trans | -32.3 | 115.2 | 176.8 | -57.1 | -52.7 | 0 | 0 | 0 | 113.1 | T56 T59 S78 S82 D131 L347 | H54-T56 VanDerWaalsContact C-N 3.31Å; H54-T56 HydrophobicContact CB-CG2 4.07Å; H54-T56 PolarHBondContact O-N 2.99Å; H54-T59 WeakPolarHBondContact O-CB 3.12Å; H54-T59 WeakPolarHBondContact O-CG2 3.42Å; H54-T59 PolarHBondContact O-OG1 2.82Å; H54-S78 PolarHBondContact CE1-OG 3.39Å; H54-S78 PolarHBondContact N-OG 2.75Å; H54-S78 VanDerWaalsContact N-OG 3.14Å; H54-S78 PolarHBondContact ND1-OG 3.01Å; H54-S82 WeakPolarHBondContact ND1-CB 3.29Å; H54-S82 PolarHBondContact ND1-OG 2.91Å; H54-D131 IonicContact CD2-OD2 3.86Å; H54-L347 HydrophobicContact CB-CD2 4.34Å; H54-L347 VanDerWaalsContact NE2-CD1 3.32Å; H54-L347 WeakPolarHBondContact NE2-CD1 3.22Å | ||
| 55 | M | 98.8 | Very high | 98.8 | Very high | 0 Ų | 0 | 15.2 Ų | 15.2 | 0% | 0 | 8% | 0.078 | C | C | . | . | trans | -80.3 | 75.8 | -174.8 | -173.5 | 61.6 | -107.2 | 0 | 0 | 111.6 | L53 A60 I63 W75 T83 Q84 A87 A88 I91 V98 A100 | L53-M55 PolarHBondContact O-N 3.35Å; L53-M55 VanDerWaalsContact O-N 3.1Å; M55-A60 HydrophobicContact CE-CB 4.04Å; M55-I63 HydrophobicContact CE-CD1 3.84Å; M55-I63 HydrophobicContact SD-CD1 3.73Å; M55-W75 HydrophobicContact SD-CG 4.38Å; M55-T83 HydrophobicContact CB-CG2 3.99Å; M55-T83 HydrophobicContact CG-CG2 4.22Å; M55-T83 WeakPolarHBondContact O-CA 3.49Å; M55-Q84 PolarHBondContact O-N 3.43Å; M55-A87 HydrophobicContact CE-CB 4.35Å; M55-A88 HydrophobicContact CG-CB 3.87Å; M55-I91 HydrophobicContact CE-CG1 3.95Å; M55-V98 HydrophobicContact CG-CG2 3.99Å; M55-V98 HydrophobicContact SD-CG2 3.75Å; M55-A100 HydrophobicContact CB-CB 3.76Å; M55-A100 HydrophobicContact CG-CB 3.88Å | ||
| 56 | T | 98.8 | Very high | 98.8 | Very high | 7 Ų | 7 | 7.4 Ų | 7.4 | 4% | 0.043 | 4% | 0.044 | C | C | . | . | S | Bend | trans | -105.5 | 175.2 | -178.2 | 68.2 | 0 | 0 | 0 | 0 | 112.8 | H54 Q58 T59 A60 Q84 A87 L347 | H54-T56 VanDerWaalsContact C-N 3.31Å; H54-T56 HydrophobicContact CB-CG2 4.07Å; H54-T56 PolarHBondContact O-N 2.99Å; T56-Q58 VanDerWaalsContact C-N 3.26Å; T56-Q58 VanDerWaalsContact CB-OE1 3.27Å; T56-Q58 PolarHBondContact O-N 3.47Å; T56-Q58 PolarHBondContact OG1-N 3.29Å; T56-Q58 PolarHBondContact OG1-OE1 2.97Å; T56-T59 PolarHBondContact O-N 3.28Å; T56-T59 PolarHBondContact OG1-N 2.97Å; T56-T59 PolarHBondContact OG1-OG1 2.9Å; T56-A60 PolarHBondContact O-N 3.06Å; T56-Q84 HydrophobicContact CG2-CG 4.42Å; T56-A87 VanDerWaalsContact C-CB 3.48Å; T56-L347 HydrophobicContact CG2-CD2 4.18Å |
| 57 | I | 98.8 | Very high | 98.8 | Very high | 5 Ų | 5 | 10.1 Ų | 10.1 | 3% | 0.026 | 5% | 0.045 | C | C | . | . | H | α-helix | trans | -57.4 | -39.8 | 169.5 | -71 | -66.9 | 0 | 0 | 0 | 111.5 | E20 I21 A24 T59 A60 V61 Q84 A87 | E20-I57 HydrophobicContact CB-CD1 3.55Å; E20-I57 HydrophobicContact CB-CG1 3.91Å; E20-I57 HydrophobicContact CB-CG2 4.23Å; E20-I57 WeakPolarHBondContact OE2-CG1 3.09Å; I21-I57 HydrophobicContact CG1-CD1 3.96Å; I21-I57 HydrophobicContact CG1-CG2 4.44Å; A24-I57 HydrophobicContact CB-CG2 3.5Å; I57-T59 VanDerWaalsContact C-N 3.34Å; I57-T59 PolarHBondContact O-N 3.24Å; I57-A60 WeakPolarHBondContact O-CB 3.21Å; I57-A60 PolarHBondContact O-N 3.22Å; I57-V61 PolarHBondContact O-N 3.33Å; I57-Q84 VanDerWaalsContact CG1-OE1 3.28Å; I57-A87 HydrophobicContact CD1-CB 3.61Å; I57-A87 HydrophobicContact CG1-CB 3.97Å |
| 58 | Q | 98.8 | Very high | 98.8 | Very high | 15 Ų | 15 | 14.1 Ų | 14.1 | 7% | 0.07 | 6% | 0.063 | C | C | . | . | H | α-helix | trans | -64.1 | -44.1 | 178.4 | -61.6 | 74.1 | 25.1 | 0 | 0 | 110.4 | M28 T56 A60 V61 L62 S355 M358 F362 | M28-Q58 HydrophobicContact CE-CB 4.09Å; M28-Q58 HydrophobicContact SD-CB 4.44Å; T56-Q58 VanDerWaalsContact C-N 3.26Å; T56-Q58 VanDerWaalsContact CB-OE1 3.27Å; T56-Q58 PolarHBondContact O-N 3.47Å; T56-Q58 PolarHBondContact OG1-N 3.29Å; T56-Q58 PolarHBondContact OG1-OE1 2.97Å; Q58-A60 VanDerWaalsContact C-N 3.29Å; Q58-A60 PolarHBondContact O-N 2.9Å; Q58-V61 WeakPolarHBondContact O-CB 3.24Å; Q58-V61 PolarHBondContact O-N 3.34Å; Q58-V61 VanDerWaalsContact O-N 3.16Å; Q58-L62 PolarHBondContact O-N 3.11Å; Q58-S355 PolarHBondContact NE2-OG 2.72Å; Q58-M358 HydrophobicContact CB-CB 3.87Å; Q58-M358 HydrophobicContact CB-CG 4.12Å; Q58-M358 HydrophobicContact CG-CB 3.89Å; Q58-M358 HydrophobicContact CG-CG 3.93Å; Q58-F362 HydrophobicContact CB-CD2 4.48Å; Q58-F362 HydrophobicContact CB-CE2 3.8Å |
| 59 | T | 98.9 | Very high | 98.8 | Very high | 1 Ų | 1 | 12.1 Ų | 12.1 | 1% | 0.006 | 6% | 0.056 | C | C | . | . | H | α-helix | trans | -67.4 | -32.1 | 178.3 | -56.3 | 0 | 0 | 0 | 0 | 111.5 | L53 H54 T56 I57 V61 L62 I63 W75 | L53-T59 HydrophobicContact CD2-CG2 3.9Å; L53-T59 WeakPolarHBondContact CD2-OG1 3.29Å; H54-T59 WeakPolarHBondContact O-CB 3.12Å; H54-T59 WeakPolarHBondContact O-CG2 3.42Å; H54-T59 PolarHBondContact O-OG1 2.82Å; T56-T59 PolarHBondContact O-N 3.28Å; T56-T59 PolarHBondContact OG1-N 2.97Å; T56-T59 PolarHBondContact OG1-OG1 2.9Å; I57-T59 VanDerWaalsContact C-N 3.34Å; I57-T59 PolarHBondContact O-N 3.24Å; T59-V61 VanDerWaalsContact C-N 3.3Å; T59-V61 PolarHBondContact O-N 3.47Å; T59-L62 WeakPolarHBondContact O-CB 3.49Å; T59-L62 PolarHBondContact O-N 3Å; T59-L62 VanDerWaalsContact O-N 3.16Å; T59-I63 HydrophobicContact CG2-CD1 4.08Å; T59-I63 HydrophobicContact CG2-CG1 4.35Å; T59-I63 VanDerWaalsContact O-CG1 3.28Å; T59-I63 WeakPolarHBondContact O-CG1 2.97Å; T59-I63 PolarHBondContact O-N 2.71Å; T59-W75 HydrophobicContact CG2-CZ2 3.52Å |
| 60 | A | 98.9 | Very high | 98.8 | Very high | 0 Ų | 0 | 13.2 Ų | 13.2 | 0% | 0 | 7% | 0.067 | C | C | . | . | H | α-helix | trans | -59.2 | -40.6 | 171.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | I21 M55 T56 I57 Q58 I63 E64 I91 | I21-A60 HydrophobicContact CD1-CB 3.64Å; I21-A60 HydrophobicContact CG1-CB 3.84Å; M55-A60 HydrophobicContact CE-CB 4.04Å; T56-A60 PolarHBondContact O-N 3.06Å; I57-A60 WeakPolarHBondContact O-CB 3.21Å; I57-A60 PolarHBondContact O-N 3.22Å; Q58-A60 VanDerWaalsContact C-N 3.29Å; Q58-A60 PolarHBondContact O-N 2.9Å; A60-I63 PolarHBondContact O-N 2.86Å; A60-E64 WeakPolarHBondContact O-CG 3.25Å; A60-E64 PolarHBondContact O-N 2.59Å; A60-I91 HydrophobicContact CB-CD1 3.67Å; A60-I91 HydrophobicContact CB-CG1 3.68Å |
| 61 | V | 98.9 | Very high | 98.8 | Very high | 0 Ų | 0 | 13.5 Ų | 13.5 | 0% | 0 | 7% | 0.07 | C | C | . | . | H | α-helix | trans | -65.3 | -38.9 | 174.8 | -175.2 | 0 | 0 | 0 | 0 | 111.5 | I21 A24 E25 M28 L31 M32 R35 I57 Q58 T59 T65 | I21-V61 HydrophobicContact CG2-CG2 4.19Å; A24-V61 HydrophobicContact CB-CG2 4.04Å; E25-V61 HydrophobicContact CG-CG1 3.98Å; E25-V61 HydrophobicContact CG-CG2 4.05Å; M28-V61 HydrophobicContact CB-CG1 4.45Å; M28-V61 HydrophobicContact CE-CB 4.36Å; M28-V61 HydrophobicContact SD-CB 3.6Å; M28-V61 HydrophobicContact SD-CG1 3.82Å; M28-V61 HydrophobicContact SD-CG2 3.68Å; L31-V61 HydrophobicContact CB-CG1 4.36Å; L31-V61 HydrophobicContact CD1-CB 4.16Å; L31-V61 HydrophobicContact CD1-CG1 3.72Å; M32-V61 HydrophobicContact CE-CG1 3.47Å; M32-V61 VanDerWaalsContact CE-CG1 3.47Å; R35-V61 PolarHBondContact NH2-O 2.77Å; I57-V61 PolarHBondContact O-N 3.33Å; Q58-V61 WeakPolarHBondContact O-CB 3.24Å; Q58-V61 PolarHBondContact O-N 3.34Å; Q58-V61 VanDerWaalsContact O-N 3.16Å; T59-V61 VanDerWaalsContact C-N 3.3Å; T59-V61 PolarHBondContact O-N 3.47Å; V61-T65 WeakPolarHBondContact O-CB 3.49Å; V61-T65 PolarHBondContact O-N 3.43Å; V61-T65 PolarHBondContact O-OG1 3.03Å |
| 62 | L | 98.9 | Very high | 98.8 | Very high | 0 Ų | 0 | 17.4 Ų | 17.4 | 0% | 0 | 9% | 0.088 | C | C | . | . | H | α-helix | trans | -60.7 | -50 | 173.2 | 168 | 64.2 | 0 | 0 | 0 | 111.7 | L31 Q58 T59 E64 T65 L66 W75 L129 F362 Q365 M366 | L31-L62 HydrophobicContact CD1-CB 4.34Å; Q58-L62 PolarHBondContact O-N 3.11Å; T59-L62 WeakPolarHBondContact O-CB 3.49Å; T59-L62 PolarHBondContact O-N 3Å; T59-L62 VanDerWaalsContact O-N 3.16Å; L62-E64 PolarHBondContact O-N 3.29Å; L62-T65 WeakPolarHBondContact O-CA 3.2Å; L62-T65 WeakPolarHBondContact O-CB 3.3Å; L62-T65 PolarHBondContact O-N 3.27Å; L62-L66 PolarHBondContact O-N 3.19Å; L62-W75 HydrophobicContact CD2-CH2 3.98Å; L62-W75 HydrophobicContact CD2-CZ2 4.12Å; L62-W75 HydrophobicContact CG-CH2 4.27Å; L62-L129 HydrophobicContact CD1-CD1 4.49Å; L62-L129 HydrophobicContact CD2-CD1 4.2Å; L62-L129 HydrophobicContact CD2-CD2 4.42Å; L62-F362 HydrophobicContact CB-CB 4.31Å; L62-F362 HydrophobicContact CB-CD2 3.74Å; L62-F362 HydrophobicContact CB-CE2 4.26Å; L62-F362 HydrophobicContact CB-CG 4.11Å; L62-F362 HydrophobicContact CD1-CB 4.09Å; L62-F362 HydrophobicContact CD1-CG 4.43Å; L62-F362 HydrophobicContact CD2-CB 4.39Å; L62-F362 HydrophobicContact CD2-CD1 3.86Å; L62-F362 HydrophobicContact CD2-CD2 4.05Å; L62-F362 HydrophobicContact CD2-CE1 4.07Å; L62-F362 HydrophobicContact CD2-CE2 4.27Å; L62-F362 HydrophobicContact CD2-CG 3.85Å; L62-F362 HydrophobicContact CD2-CZ 4.27Å; L62-F362 HydrophobicContact CG-CD2 4.42Å; L62-F362 HydrophobicContact CG-CG 4.36Å; L62-Q365 HydrophobicContact CD1-CB 4.38Å; L62-M366 HydrophobicContact CD1-CE 3.14Å; L62-M366 HydrophobicContact CD1-CG 4Å; L62-M366 HydrophobicContact CD1-SD 3.75Å; L62-M366 HydrophobicContact CG-CE 4.38Å |
| 63 | I | 98.9 | Very high | 98.8 | Very high | 0 Ų | 0 | 17.9 Ų | 17.9 | 0% | 0 | 9% | 0.091 | C | C | . | . | H | α-helix | trans | -57.3 | -48.2 | 178.4 | -71.9 | 166.8 | 0 | 0 | 0 | 111.1 | M55 T59 A60 T65 L66 K67 V73 W75 I91 I96 | M55-I63 HydrophobicContact CE-CD1 3.84Å; M55-I63 HydrophobicContact SD-CD1 3.73Å; T59-I63 HydrophobicContact CG2-CD1 4.08Å; T59-I63 HydrophobicContact CG2-CG1 4.35Å; T59-I63 VanDerWaalsContact O-CG1 3.28Å; T59-I63 WeakPolarHBondContact O-CG1 2.97Å; T59-I63 PolarHBondContact O-N 2.71Å; A60-I63 PolarHBondContact O-N 2.86Å; I63-T65 PolarHBondContact O-N 2.82Å; I63-L66 WeakPolarHBondContact O-CB 3.3Å; I63-L66 PolarHBondContact O-N 2.83Å; I63-K67 PolarHBondContact O-N 3.34Å; I63-K67 VanDerWaalsContact O-N 3.08Å; I63-V73 HydrophobicContact CG2-CG1 4.13Å; I63-W75 HydrophobicContact CD1-CB 4.01Å; I63-W75 HydrophobicContact CD1-CD2 3.49Å; I63-W75 VanDerWaalsContact CD1-CD2 3.49Å; I63-W75 HydrophobicContact CD1-CE3 3.96Å; I63-W75 HydrophobicContact CD1-CG 3.53Å; I63-W75 HydrophobicContact CD1-CZ2 4.44Å; I63-W75 HydrophobicContact CG1-CD2 3.54Å; I63-W75 HydrophobicContact CG1-CE3 3.49Å; I63-W75 VanDerWaalsContact CG1-CE3 3.49Å; I63-W75 HydrophobicContact CG1-CG 4.13Å; I63-W75 HydrophobicContact CG1-CH2 3.93Å; I63-W75 HydrophobicContact CG1-CZ2 4.03Å; I63-W75 HydrophobicContact CG1-CZ3 3.69Å; I63-I91 HydrophobicContact CB-CD1 4.31Å; I63-I91 HydrophobicContact CD1-CG1 4.37Å; I63-I91 HydrophobicContact CD1-CG2 4.37Å; I63-I91 HydrophobicContact CG2-CD1 4.06Å; I63-I91 HydrophobicContact CG2-CG2 4.23Å; I63-I96 HydrophobicContact CG2-CD1 3.63Å; I63-I96 HydrophobicContact CG2-CG2 3.84Å |
| 64 | E | 98.9 | Very high | 98.8 | Very high | 28 Ų | 28 | 17.8 Ų | 17.8 | 13% | 0.131 | 9% | 0.09 | C | C | . | . | H | α-helix | trans | -67.6 | -27.8 | 178.6 | -71.2 | -168.7 | 150.8 | 0 | 0 | 112.1 | R18 R35 A60 L62 E68 I91 I96 | R18-E64 IonicContact CZ-OE1 3.24Å; R18-E64 VanDerWaalsContact CZ-OE1 3.22Å; R18-E64 IonicContact CZ-OE2 3.34Å; R18-E64 VanDerWaalsContact NH1-CD 3.28Å; R18-E64 IonicContact NH1-OE1 3.69Å; R18-E64 PolarHBondContact NH1-OE1 3.14Å; R18-E64 IonicContact NH1-OE2 2.68Å; R18-E64 PolarHBondContact NH1-OE2 3.01Å; R18-E64 IonicContact NH2-OE1 3.31Å; R18-E64 PolarHBondContact NH2-OE1 3.41Å; R35-E64 VanDerWaalsContact NH2-CB 3.33Å; A60-E64 WeakPolarHBondContact O-CG 3.25Å; A60-E64 PolarHBondContact O-N 2.59Å; L62-E64 PolarHBondContact O-N 3.29Å; E64-E68 VanDerWaalsContact O-CB 3.31Å; E64-E68 WeakPolarHBondContact O-CB 3.44Å; E64-E68 PolarHBondContact O-N 3.21Å; E64-I91 HydrophobicContact CG-CD1 3.93Å; E64-I96 HydrophobicContact CG-CD1 4.37Å |
| 65 | T | 98.9 | Very high | 98.8 | Very high | 0 Ų | 0 | 17 Ų | 17 | 0% | 0 | 9% | 0.087 | C | C | . | . | H | α-helix | trans | -68 | -45.1 | 171.9 | -55.7 | 0 | 0 | 0 | 0 | 111.5 | L31 I34 R35 V61 L62 I63 K67 E68 L69 M366 | L31-T65 HydrophobicContact CD2-CG2 4.36Å; I34-T65 HydrophobicContact CG2-CG2 4.07Å; R35-T65 HydrophobicContact CG-CG2 3.74Å; R35-T65 PolarHBondContact NE-OG1 2.74Å; R35-T65 PolarHBondContact NH2-OG1 2.88Å; V61-T65 WeakPolarHBondContact O-CB 3.49Å; V61-T65 PolarHBondContact O-N 3.43Å; V61-T65 PolarHBondContact O-OG1 3.03Å; L62-T65 WeakPolarHBondContact O-CA 3.2Å; L62-T65 WeakPolarHBondContact O-CB 3.3Å; L62-T65 PolarHBondContact O-N 3.27Å; I63-T65 PolarHBondContact O-N 2.82Å; T65-K67 VanDerWaalsContact C-N 3.31Å; T65-K67 PolarHBondContact O-N 2.94Å; T65-E68 CarbonylContact O-C 3.48Å; T65-E68 PolarHBondContact O-N 3.45Å; T65-L69 HydrophobicContact CG2-CD1 4.05Å; T65-L69 VanDerWaalsContact O-CD1 3.3Å; T65-L69 WeakPolarHBondContact O-CD1 3.19Å; T65-L69 PolarHBondContact O-N 2.84Å; T65-M366 HydrophobicContact CG2-CG 3.93Å; T65-M366 HydrophobicContact CG2-SD 3.84Å |
| 66 | L | 98.8 | Very high | 98.8 | Very high | 0 Ų | 0 | 17 Ų | 17 | 0% | 0 | 9% | 0.087 | C | C | . | . | H | α-helix | trans | -55.3 | -47.2 | 173.6 | -77.5 | 167.4 | 0 | 0 | 0 | 111.8 | L44 V49 L62 I63 L69 G70 A71 V73 W75 L129 M366 Q369 | L44-L66 HydrophobicContact CD1-CD2 3.57Å; V49-L66 HydrophobicContact CG1-CD1 4.12Å; V49-L66 HydrophobicContact CG2-CD2 4.35Å; L62-L66 PolarHBondContact O-N 3.19Å; I63-L66 WeakPolarHBondContact O-CB 3.3Å; I63-L66 PolarHBondContact O-N 2.83Å; L66-L69 CarbonylContact O-C 3.5Å; L66-L69 PolarHBondContact O-N 3.33Å; L66-L69 VanDerWaalsContact O-N 3.15Å; L66-G70 PolarHBondContact O-N 3.43Å; L66-A71 HydrophobicContact CB-CB 4.31Å; L66-A71 WeakPolarHBondContact O-CB 3.5Å; L66-A71 PolarHBondContact O-N 2.89Å; L66-A71 VanDerWaalsContact O-N 3.08Å; L66-V73 HydrophobicContact CB-CG2 3.6Å; L66-V73 HydrophobicContact CD1-CG1 4.36Å; L66-V73 HydrophobicContact CD1-CG2 4.28Å; L66-W75 HydrophobicContact CD1-CH2 4.03Å; L66-W75 HydrophobicContact CD1-CZ3 3.62Å; L66-L129 HydrophobicContact CD1-CD1 4.31Å; L66-M366 HydrophobicContact CD1-CE 4.08Å; L66-M366 HydrophobicContact CD2-CE 3.23Å; L66-M366 HydrophobicContact CD2-SD 3.69Å; L66-M366 HydrophobicContact CG-CE 3.44Å; L66-M366 VanDerWaalsContact CG-CE 3.44Å; L66-M366 HydrophobicContact CG-SD 3.72Å; L66-Q369 HydrophobicContact CD2-CB 4.47Å; L66-Q369 HydrophobicContact CD2-CG 4.38Å |
| 67 | K | 98.7 | Very high | 98.8 | Very high | 96 Ų | 96 | 16.7 Ų | 16.7 | 42% | 0.417 | 9% | 0.085 | S | C | . | . | H | α-helix | trans | -62.7 | -43.9 | 177 | -175 | 174.5 | 179.9 | 176.2 | 0 | 111.6 | I63 T65 L69 G70 A94 I96 | I63-K67 PolarHBondContact O-N 3.34Å; I63-K67 VanDerWaalsContact O-N 3.08Å; T65-K67 VanDerWaalsContact C-N 3.31Å; T65-K67 PolarHBondContact O-N 2.94Å; K67-L69 PolarHBondContact O-N 2.88Å; K67-G70 PolarHBondContact O-N 2.95Å; K67-A94 PolarHBondContact NZ-O 3.35Å; K67-I96 HydrophobicContact CD-CD1 3.6Å; K67-I96 HydrophobicContact CD-CG1 3.84Å |
| 68 | E | 98.7 | Very high | 98.7 | Very high | 83 Ų | 83 | 16.9 Ų | 16.9 | 39% | 0.388 | 9% | 0.086 | S | C | . | . | H | α-helix | trans | -63.6 | -26.3 | 175.7 | -172.9 | 51.2 | -135.7 | 0 | 0 | 112.1 | R35 K42 E64 T65 G70 | R35-E68 HydrophobicContact CB-CG 4.31Å; R35-E68 HydrophobicContact CG-CB 4.32Å; R35-E68 HydrophobicContact CG-CG 4.18Å; K42-E68 VanDerWaalsContact CD-O 3.24Å; K42-E68 WeakPolarHBondContact CD-O 3.36Å; K42-E68 WeakPolarHBondContact CE-O 3.34Å; K42-E68 PolarHBondContact NZ-O 3Å; K42-E68 IonicContact NZ-OE1 2.78Å; K42-E68 PolarHBondContact NZ-OE1 3.34Å; K42-E68 IonicContact NZ-OE2 3.52Å; E64-E68 VanDerWaalsContact O-CB 3.31Å; E64-E68 WeakPolarHBondContact O-CB 3.44Å; E64-E68 PolarHBondContact O-N 3.21Å; T65-E68 CarbonylContact O-C 3.48Å; T65-E68 PolarHBondContact O-N 3.45Å; E68-G70 VanDerWaalsContact C-N 3.28Å; E68-G70 PolarHBondContact O-N 3.43Å |
| 69 | L | 98.8 | Very high | 98.6 | Very high | 0 Ų | 0 | 16.9 Ų | 16.9 | 0% | 0 | 9% | 0.087 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -85.6 | 2.7 | 173.5 | -88.8 | 60 | 0 | 0 | 0 | 113.6 | I34 K42 P43 L44 T65 L66 K67 I370 | I34-L69 HydrophobicContact CG2-CD1 4.12Å; I34-L69 HydrophobicContact CG2-CD2 3.69Å; K42-L69 CarbonylContact C-O 3.58Å; K42-L69 WeakPolarHBondContact CA-O 3.43Å; P43-L69 WeakPolarHBondContact CD-O 3.46Å; P43-L69 HydrophobicContact CG-CB 4.4Å; P43-L69 HydrophobicContact CG-CD2 4.3Å; P43-L69 HydrophobicContact CG-CG 4.21Å; L44-L69 HydrophobicContact CB-CB 4.33Å; L44-L69 WeakPolarHBondContact CB-O 3.37Å; L44-L69 HydrophobicContact CD1-CB 3.87Å; L44-L69 HydrophobicContact CD1-CD2 4.27Å; L44-L69 HydrophobicContact CG-CB 4.08Å; L44-L69 PolarHBondContact N-O 3.29Å; T65-L69 HydrophobicContact CG2-CD1 4.05Å; T65-L69 VanDerWaalsContact O-CD1 3.3Å; T65-L69 WeakPolarHBondContact O-CD1 3.19Å; T65-L69 PolarHBondContact O-N 2.84Å; L66-L69 CarbonylContact O-C 3.5Å; L66-L69 PolarHBondContact O-N 3.33Å; L66-L69 VanDerWaalsContact O-N 3.15Å; K67-L69 PolarHBondContact O-N 2.88Å; L69-I370 HydrophobicContact CD2-CD1 3.73Å; L69-I370 HydrophobicContact CD2-CG1 4.1Å |
| 70 | G | 98.6 | Very high | 98.5 | Very high | 23 Ų | 23 | 17.3 Ų | 17.3 | 24% | 0.237 | 9% | 0.089 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 98.9 | 3.5 | 171.9 | 0 | 0 | 0 | 0 | 0 | 115.7 | L44 K45 L66 K67 E68 | L44-G70 CarbonylContact O-C 2.99Å; K45-G70 WeakPolarHBondContact CA-O 3.36Å; L66-G70 PolarHBondContact O-N 3.43Å; K67-G70 PolarHBondContact O-N 2.95Å; E68-G70 VanDerWaalsContact C-N 3.28Å; E68-G70 PolarHBondContact O-N 3.43Å |
| 71 | A | 98.7 | Very high | 98.4 | Very high | 7 Ų | 7 | 17.8 Ų | 17.8 | 6% | 0.058 | 9% | 0.091 | C | C | . | . | trans | -72.2 | 147.9 | 175.1 | 0 | 0 | 0 | 0 | 0 | 111.5 | L44 A47 V49 L66 V73 | L44-A71 HydrophobicContact CB-CB 3.92Å; L44-A71 HydrophobicContact CD1-CB 4.31Å; A47-A71 HydrophobicContact CB-CB 4.21Å; V49-A71 HydrophobicContact CG2-CB 4Å; L66-A71 HydrophobicContact CB-CB 4.31Å; L66-A71 WeakPolarHBondContact O-CB 3.5Å; L66-A71 PolarHBondContact O-N 2.89Å; L66-A71 VanDerWaalsContact O-N 3.08Å; A71-V73 HydrophobicContact CB-CG2 4.07Å | ||
| 72 | Q | 98.7 | Very high | 98.3 | Very high | 81 Ų | 81 | 17.9 Ų | 17.9 | 38% | 0.379 | 9% | 0.092 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -82 | 140.6 | 152.3 | -58.4 | -179.7 | 16.3 | 0 | 0 | 107.8 | A47 R48 V49 F119 D121 | A47-Q72 PolarHBondContact O-N 3.43Å; R48-Q72 WeakPolarHBondContact CA-O 3.35Å; R48-Q72 HydrophobicContact CG-CB 4.23Å; V49-Q72 PolarHBondContact N-O 2.84Å; Q72-F119 HydrophobicContact CB-CD1 3.68Å; Q72-F119 HydrophobicContact CB-CE1 3.62Å; Q72-F119 WeakPolarHBondContact O-CE1 3.22Å; Q72-D121 PolarHBondContact NE2-OD2 3.34Å |
| 73 | V | 98.8 | Very high | 98.3 | Very high | 10 Ų | 10 | 18 Ų | 18 | 6% | 0.061 | 9% | 0.093 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.3 | 137.7 | -173.6 | -173.2 | 0 | 0 | 0 | 0 | 110.2 | V49 I63 L66 A71 W75 I96 | V49-V73 WeakPolarHBondContact O-CA 3.43Å; I63-V73 HydrophobicContact CG2-CG1 4.13Å; L66-V73 HydrophobicContact CB-CG2 3.6Å; L66-V73 HydrophobicContact CD1-CG1 4.36Å; L66-V73 HydrophobicContact CD1-CG2 4.28Å; A71-V73 HydrophobicContact CB-CG2 4.07Å; V73-W75 HydrophobicContact CG1-CE3 3.46Å; V73-W75 VanDerWaalsContact CG1-CE3 3.46Å; V73-W75 HydrophobicContact CG1-CZ3 3.76Å; V73-I96 HydrophobicContact CB-CG2 4.17Å; V73-I96 HydrophobicContact CG1-CG2 4.44Å |
| 74 | Q | 98.8 | Very high | 98.3 | Very high | 1 Ų | 1 | 18.8 Ų | 18.8 | 1% | 0.005 | 10% | 0.096 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.3 | 143.8 | 165.3 | -55.5 | -170.5 | 133.4 | 0 | 0 | 108.7 | V49 A50 G51 P97 Q115 T116 M118 F119 | V49-Q74 PolarHBondContact O-N 3.2Å; A50-Q74 WeakPolarHBondContact CA-O 3.41Å; G51-Q74 PolarHBondContact N-O 3.5Å; Q74-P97 CarbonylContact C-O 3.38Å; Q74-P97 WeakPolarHBondContact CA-O 3.16Å; Q74-P97 HydrophobicContact CB-CB 4.24Å; Q74-P97 HydrophobicContact CG-CB 3.91Å; Q74-P97 HydrophobicContact CG-CG 4.06Å; Q74-Q115 PolarHBondContact NE2-O 3Å; Q74-T116 HydrophobicContact CB-CG2 4.43Å; Q74-T116 PolarHBondContact NE2-O 3.34Å; Q74-M118 PolarHBondContact NE2-O 2.54Å; Q74-M118 PolarHBondContact OE1-O 3.37Å; Q74-F119 HydrophobicContact CB-CZ 4.25Å; Q74-F119 HydrophobicContact CG-CD1 3.99Å; Q74-F119 HydrophobicContact CG-CE1 3.68Å; Q74-F119 HydrophobicContact CG-CE2 4.2Å; Q74-F119 HydrophobicContact CG-CG 4.39Å; Q74-F119 HydrophobicContact CG-CZ 3.77Å |
| 75 | W | 98.9 | Very high | 98.3 | Very high | 0 Ų | 0 | 19.1 Ų | 19.1 | 0% | 0 | 10% | 0.099 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.2 | 147 | -168.2 | -142.3 | -90.5 | 0 | 0 | 0 | 114.6 | G51 L53 M55 T59 L62 I63 L66 V73 P97 V98 Y99 L129 | G51-W75 WeakPolarHBondContact O-CA 3.29Å; L53-W75 HydrophobicContact CB-CZ2 3.97Å; L53-W75 PolarHBondContact O-NE1 3.28Å; L53-W75 VanDerWaalsContact O-NE1 3.12Å; M55-W75 HydrophobicContact SD-CG 4.38Å; T59-W75 HydrophobicContact CG2-CZ2 3.52Å; L62-W75 HydrophobicContact CD2-CH2 3.98Å; L62-W75 HydrophobicContact CD2-CZ2 4.12Å; L62-W75 HydrophobicContact CG-CH2 4.27Å; I63-W75 HydrophobicContact CD1-CB 4.01Å; I63-W75 HydrophobicContact CD1-CD2 3.49Å; I63-W75 VanDerWaalsContact CD1-CD2 3.49Å; I63-W75 HydrophobicContact CD1-CE3 3.96Å; I63-W75 HydrophobicContact CD1-CG 3.53Å; I63-W75 HydrophobicContact CD1-CZ2 4.44Å; I63-W75 HydrophobicContact CG1-CD2 3.54Å; I63-W75 HydrophobicContact CG1-CE3 3.49Å; I63-W75 VanDerWaalsContact CG1-CE3 3.49Å; I63-W75 HydrophobicContact CG1-CG 4.13Å; I63-W75 HydrophobicContact CG1-CH2 3.93Å; I63-W75 HydrophobicContact CG1-CZ2 4.03Å; I63-W75 HydrophobicContact CG1-CZ3 3.69Å; L66-W75 HydrophobicContact CD1-CH2 4.03Å; L66-W75 HydrophobicContact CD1-CZ3 3.62Å; V73-W75 HydrophobicContact CG1-CE3 3.46Å; V73-W75 VanDerWaalsContact CG1-CE3 3.46Å; V73-W75 HydrophobicContact CG1-CZ3 3.76Å; W75-P97 PolarHBondContact N-O 2.88Å; W75-V98 HydrophobicContact CB-CG2 4.38Å; W75-V98 WeakPolarHBondContact O-CA 3.23Å; W75-Y99 PolarHBondContact O-N 3.26Å; W75-L129 HydrophobicContact CH2-CD1 4.02Å; W75-L129 HydrophobicContact CH2-CD2 3.82Å; W75-L129 HydrophobicContact CH2-CG 4.36Å; W75-L129 HydrophobicContact CZ2-CD2 4.01Å |
| 76 | S | 98.9 | Very high | 98.3 | Very high | 0 Ų | 0 | 19.9 Ų | 19.9 | 0% | 0 | 10% | 0.103 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.7 | 156.4 | 169.4 | 57.7 | 0 | 0 | 0 | 0 | 109.6 | G51 C52 L53 Y99 | G51-S76 PolarHBondContact O-N 2.7Å; G51-S76 PolarHBondContact O-OG 2.99Å; C52-S76 WeakPolarHBondContact CA-O 3.19Å; L53-S76 PolarHBondContact N-O 3.11Å; L53-S76 VanDerWaalsContact N-O 3.13Å; S76-Y99 WeakPolarHBondContact CA-O 3.48Å |
| 77 | S | 98.6 | Very high | 98.3 | Very high | 0 Ų | 0 | 19.9 Ų | 19.9 | 0% | 0 | 10% | 0.103 | C | C | . | . | trans | -75.8 | 152.8 | 171.6 | -170.1 | 0 | 0 | 0 | 0 | 110.4 | N79 S82 T83 Y109 | S77-N79 PolarHBondContact OG-N 2.58Å; S77-N79 PolarHBondContact OG-O 3.36Å; S77-S82 PolarHBondContact OG-OG 3.35Å; S77-T83 WeakPolarHBondContact CB-OG1 3.44Å; S77-T83 PolarHBondContact OG-OG1 3.42Å; S77-Y109 WeakPolarHBondContact O-CE2 3.39Å | ||
| 78 | S | 97.3 | Very high | 98.3 | Very high | 9 Ų | 9 | 15.3 Ų | 15.3 | 6% | 0.063 | 8% | 0.083 | C | C | . | . | S | Bend | trans | -95.4 | 5 | 170.4 | 58.3 | 0 | 0 | 0 | 0 | 113.1 | H54 Y109 D131 | H54-S78 PolarHBondContact CE1-OG 3.39Å; H54-S78 PolarHBondContact N-OG 2.75Å; H54-S78 VanDerWaalsContact N-OG 3.14Å; H54-S78 PolarHBondContact ND1-OG 3.01Å; S78-Y109 PolarHBondContact O-OH 3.03Å; S78-D131 WeakPolarHBondContact CB-O 3.34Å |
| 79 | N | 96 | Very high | 98.3 | Very high | 15 Ų | 15 | 11.4 Ų | 11.4 | 8% | 0.08 | 6% | 0.064 | C | C | . | . | S | Bend | trans | -153.2 | 139.1 | 174.8 | -173.5 | -79.6 | 0 | 0 | 0 | 111.4 | S77 F81 S82 | S77-N79 PolarHBondContact OG-N 2.58Å; S77-N79 PolarHBondContact OG-O 3.36Å; N79-F81 PolarHBondContact O-N 3.43Å; N79-F81 PolarHBondContact OD1-N 3.28Å; N79-S82 WeakPolarHBondContact CB-OG 3.28Å; N79-S82 PolarHBondContact O-N 2.95Å; N79-S82 PolarHBondContact O-OG 3.18Å; N79-S82 VanDerWaalsContact O-OG 3.05Å |
| 80 | I | 97.1 | Very high | 98.4 | Very high | 11 Ų | 11 | 11.5 Ų | 11.5 | 6% | 0.056 | 7% | 0.065 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -64.9 | -20.2 | -175 | 65.1 | 170.2 | 0 | 0 | 0 | 114.3 | G103 E104 Y109 R343 | I80-G103 WeakPolarHBondContact O-CA 3.47Å; I80-G103 PolarHBondContact O-N 3.21Å; I80-E104 HydrophobicContact CB-CB 4.02Å; I80-E104 WeakPolarHBondContact CB-O 3.16Å; I80-E104 HydrophobicContact CG2-CB 4.02Å; I80-E104 PolarHBondContact O-N 2.97Å; I80-Y109 HydrophobicContact CG2-CD2 4.1Å; I80-Y109 HydrophobicContact CG2-CG 4.12Å; I80-R343 VanDerWaalsContact CD1-CZ 3.41Å |
| 81 | F | 96.5 | Very high | 98.4 | Very high | 10 Ų | 10 | 10.4 Ų | 10.4 | 4% | 0.044 | 5% | 0.054 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -112.7 | -1.7 | -179.4 | -60.1 | -43.4 | 0 | 0 | 0 | 113.9 | N79 K102 Q324 E341 R343 | N79-F81 PolarHBondContact O-N 3.43Å; N79-F81 PolarHBondContact OD1-N 3.28Å; F81-K102 PolarHBondContact O-NZ 2.94Å; F81-Q324 HydrophobicContact CD1-CG 4.37Å; F81-Q324 HydrophobicContact CD2-CG 4.24Å; F81-Q324 HydrophobicContact CG-CG 4.16Å; F81-E341 HydrophobicContact CE2-CB 4.41Å; F81-E341 HydrophobicContact CE2-CG 4.42Å; F81-E341 VanDerWaalsContact CZ-OE1 3.22Å; F81-E341 WeakPolarHBondContact CZ-OE1 2.92Å; F81-R343 HydrophobicContact CD2-CB 4.42Å |
| 82 | S | 97.7 | Very high | 98.4 | Very high | 2 Ų | 2 | 10.3 Ų | 10.3 | 1% | 0.014 | 5% | 0.053 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -88.2 | -15 | -173.1 | 60.4 | 0 | 0 | 0 | 0 | 114.9 | H54 S77 N79 Q84 | H54-S82 WeakPolarHBondContact ND1-CB 3.29Å; H54-S82 PolarHBondContact ND1-OG 2.91Å; S77-S82 PolarHBondContact OG-OG 3.35Å; N79-S82 WeakPolarHBondContact CB-OG 3.28Å; N79-S82 PolarHBondContact O-N 2.95Å; N79-S82 PolarHBondContact O-OG 3.18Å; N79-S82 VanDerWaalsContact O-OG 3.05Å; S82-Q84 PolarHBondContact O-N 3.19Å |
| 83 | T | 98.7 | Very high | 98.4 | Very high | 2 Ų | 2 | 11 Ų | 11 | 1% | 0.012 | 6% | 0.062 | C | C | . | . | trans | -62.4 | 134.7 | -177.8 | -58 | 0 | 0 | 0 | 0 | 110.8 | M55 S77 A88 A100 W101 | M55-T83 HydrophobicContact CB-CG2 3.99Å; M55-T83 HydrophobicContact CG-CG2 4.22Å; M55-T83 WeakPolarHBondContact O-CA 3.49Å; S77-T83 WeakPolarHBondContact CB-OG1 3.44Å; S77-T83 PolarHBondContact OG-OG1 3.42Å; T83-A88 HydrophobicContact CG2-CB 4.06Å; T83-A100 HydrophobicContact CG2-CB 3.99Å; T83-W101 VanDerWaalsContact CB-C 3.43Å; T83-W101 PolarHBondContact OG1-O 3.26Å | ||
| 84 | Q | 98.8 | Very high | 98.3 | Very high | 16 Ų | 16 | 12 Ų | 12 | 8% | 0.075 | 7% | 0.072 | C | C | . | . | trans | -99.2 | 103.8 | 166.3 | -68.8 | 171.7 | 7 | 0 | 0 | 107.1 | M55 T56 I57 S82 H86 A87 A88 T351 | M55-Q84 PolarHBondContact O-N 3.43Å; T56-Q84 HydrophobicContact CG2-CG 4.42Å; I57-Q84 VanDerWaalsContact CG1-OE1 3.28Å; S82-Q84 PolarHBondContact O-N 3.19Å; Q84-H86 PolarHBondContact O-N 3.22Å; Q84-H86 VanDerWaalsContact O-N 3.16Å; Q84-A87 HydrophobicContact CB-CB 4.01Å; Q84-A87 WeakPolarHBondContact O-CA 3.38Å; Q84-A87 VanDerWaalsContact O-CB 3.26Å; Q84-A87 WeakPolarHBondContact O-CB 3.49Å; Q84-A87 PolarHBondContact O-N 3.1Å; Q84-A88 PolarHBondContact O-N 2.68Å; Q84-T351 VanDerWaalsContact NE2-CB 3.34Å; Q84-T351 PolarHBondContact NE2-O 2.63Å | ||
| 85 | D | 98.9 | Very high | 98.3 | Very high | 36 Ų | 36 | 14.8 Ų | 14.8 | 19% | 0.193 | 10% | 0.102 | C | C | . | . | H | α-helix | trans | -60.1 | -32.8 | -167.4 | -64 | -44.3 | 0 | 0 | 0 | 113.3 | A9 L13 A88 A89 W101 K102 | A9-D85 HydrophobicContact CB-CB 3.96Å; L13-D85 HydrophobicContact CD1-CB 3.9Å; D85-A88 PolarHBondContact O-N 3.19Å; D85-A89 WeakPolarHBondContact O-CB 3.2Å; D85-A89 PolarHBondContact O-N 3.28Å; D85-W101 VanDerWaalsContact OD1-CA 3.29Å; D85-W101 WeakPolarHBondContact OD1-CA 3.24Å; D85-K102 PolarHBondContact OD1-N 3.34Å |
| 86 | H | 98.8 | Very high | 98.3 | Very high | 16 Ų | 16 | 15.1 Ų | 15.1 | 7% | 0.074 | 10% | 0.103 | C | C | . | . | H | α-helix | trans | -67 | -35.2 | 174.1 | 60.6 | -62.8 | 0 | 0 | 0 | 112.7 | L13 W16 G17 E20 Q84 A90 | L13-H86 HydrophobicContact CB-CB 3.87Å; W16-H86 HydrophobicContact CD2-CB 3.91Å; W16-H86 AromaticContact CD2-CD2 3.83Å; W16-H86 AromaticContact CD2-CG 3.95Å; W16-H86 AromaticContact CE2-CD2 3.62Å; W16-H86 AromaticContact CE2-NE2 3.98Å; W16-H86 HydrophobicContact CE3-CB 3.67Å; W16-H86 AromaticContact CE3-CG 3.96Å; W16-H86 HydrophobicContact CG-CB 4.36Å; W16-H86 AromaticContact CZ2-CD2 3.94Å; W16-H86 AromaticContact CZ2-NE2 3.9Å; W16-H86 HydrophobicContact CZ3-CB 4.08Å; W16-H86 AromaticContact NE1-CD2 3.83Å; G17-H86 VanDerWaalsContact CA-O 3.29Å; G17-H86 WeakPolarHBondContact CA-O 3.35Å; E20-H86 IonicContact OE1-NE2 2.79Å; E20-H86 IonicContact OE2-CD2 3.85Å; E20-H86 PolarHBondContact OE2-CD2 3.1Å; E20-H86 IonicContact OE2-CE1 2.67Å; E20-H86 IonicContact OE2-NE2 3.46Å; E20-H86 PolarHBondContact OE2-NE2 3.35Å; Q84-H86 PolarHBondContact O-N 3.22Å; Q84-H86 VanDerWaalsContact O-N 3.16Å; H86-A90 PolarHBondContact O-N 3.15Å; H86-A90 VanDerWaalsContact O-N 3.09Å |
| 87 | A | 98.9 | Very high | 98.3 | Very high | 0 Ų | 0 | 16.1 Ų | 16.1 | 0% | 0 | 11% | 0.109 | C | C | . | . | H | α-helix | trans | -65.7 | -47.5 | 172.2 | 0 | 0 | 0 | 0 | 0 | 111.3 | M55 T56 I57 Q84 A89 A90 I91 | M55-A87 HydrophobicContact CE-CB 4.35Å; T56-A87 VanDerWaalsContact C-CB 3.48Å; I57-A87 HydrophobicContact CD1-CB 3.61Å; I57-A87 HydrophobicContact CG1-CB 3.97Å; Q84-A87 HydrophobicContact CB-CB 4.01Å; Q84-A87 WeakPolarHBondContact O-CA 3.38Å; Q84-A87 VanDerWaalsContact O-CB 3.26Å; Q84-A87 WeakPolarHBondContact O-CB 3.49Å; Q84-A87 PolarHBondContact O-N 3.1Å; A87-A89 VanDerWaalsContact C-N 3.33Å; A87-A89 PolarHBondContact O-N 2.87Å; A87-A90 PolarHBondContact O-N 3.39Å; A87-I91 PolarHBondContact O-N 2.9Å; A87-I91 VanDerWaalsContact O-N 3.09Å |
| 88 | A | 98.9 | Very high | 98.3 | Very high | 0 Ų | 0 | 16.1 Ų | 16.1 | 0% | 0 | 11% | 0.109 | C | C | . | . | H | α-helix | trans | -59.1 | -44.6 | 177.1 | 0 | 0 | 0 | 0 | 0 | 111.3 | V8 M55 T83 Q84 D85 A90 I91 A92 V98 | V8-A88 HydrophobicContact CB-CB 4.32Å; V8-A88 HydrophobicContact CG1-CB 3.8Å; M55-A88 HydrophobicContact CG-CB 3.87Å; T83-A88 HydrophobicContact CG2-CB 4.06Å; Q84-A88 PolarHBondContact O-N 2.68Å; D85-A88 PolarHBondContact O-N 3.19Å; A88-A90 PolarHBondContact O-N 3.49Å; A88-I91 PolarHBondContact O-N 2.96Å; A88-A92 WeakPolarHBondContact O-CB 3.44Å; A88-A92 PolarHBondContact O-N 3.27Å; A88-V98 HydrophobicContact CB-CG2 4.43Å; A88-V98 WeakPolarHBondContact O-CG1 3.2Å |
| 89 | A | 98.9 | Very high | 98.4 | Very high | 0 Ų | 0 | 15.7 Ų | 15.7 | 0% | 0 | 11% | 0.107 | C | C | . | . | H | α-helix | trans | -59.7 | -42.7 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | D10 L13 A14 D85 A87 I91 A92 V93 | D10-A89 WeakPolarHBondContact O-CB 3.17Å; L13-A89 HydrophobicContact CB-CB 4.05Å; A14-A89 HydrophobicContact CB-CB 4.08Å; D85-A89 WeakPolarHBondContact O-CB 3.2Å; D85-A89 PolarHBondContact O-N 3.28Å; A87-A89 VanDerWaalsContact C-N 3.33Å; A87-A89 PolarHBondContact O-N 2.87Å; A89-I91 VanDerWaalsContact C-N 3.35Å; A89-I91 PolarHBondContact O-N 2.63Å; A89-A92 PolarHBondContact O-N 2.7Å; A89-V93 WeakPolarHBondContact O-CG2 3.28Å; A89-V93 PolarHBondContact O-N 3.49Å |
| 90 | A | 98.9 | Very high | 98.5 | Very high | 3 Ų | 3 | 15 Ų | 15 | 3% | 0.025 | 10% | 0.103 | C | C | . | . | H | α-helix | trans | -65.1 | -36.8 | 178.6 | 0 | 0 | 0 | 0 | 0 | 112.9 | I21 H86 A87 A88 A94 | I21-A90 HydrophobicContact CD1-CB 3.66Å; H86-A90 PolarHBondContact O-N 3.15Å; H86-A90 VanDerWaalsContact O-N 3.09Å; A87-A90 PolarHBondContact O-N 3.39Å; A88-A90 PolarHBondContact O-N 3.49Å; A90-A94 WeakPolarHBondContact O-CB 3.37Å; A90-A94 PolarHBondContact O-N 3.25Å; A90-A94 VanDerWaalsContact O-N 3.12Å |
| 91 | I | 98.9 | Very high | 98.6 | Very high | 0 Ų | 0 | 15.7 Ų | 15.7 | 0% | 0 | 11% | 0.105 | C | C | . | . | H | α-helix | trans | -68.9 | -43.1 | 174.4 | -69.4 | -55.2 | 0 | 0 | 0 | 111.4 | M55 A60 I63 E64 A87 A88 A89 A94 I96 V98 | M55-I91 HydrophobicContact CE-CG1 3.95Å; A60-I91 HydrophobicContact CB-CD1 3.67Å; A60-I91 HydrophobicContact CB-CG1 3.68Å; I63-I91 HydrophobicContact CB-CD1 4.31Å; I63-I91 HydrophobicContact CD1-CG1 4.37Å; I63-I91 HydrophobicContact CD1-CG2 4.37Å; I63-I91 HydrophobicContact CG2-CD1 4.06Å; I63-I91 HydrophobicContact CG2-CG2 4.23Å; E64-I91 HydrophobicContact CG-CD1 3.93Å; A87-I91 PolarHBondContact O-N 2.9Å; A87-I91 VanDerWaalsContact O-N 3.09Å; A88-I91 PolarHBondContact O-N 2.96Å; A89-I91 VanDerWaalsContact C-N 3.35Å; A89-I91 PolarHBondContact O-N 2.63Å; I91-A94 WeakPolarHBondContact O-CB 3.23Å; I91-A94 PolarHBondContact O-N 2.87Å; I91-I96 HydrophobicContact CG2-CB 3.76Å; I91-I96 HydrophobicContact CG2-CG2 3.99Å; I91-I96 PolarHBondContact O-N 2.74Å; I91-V98 HydrophobicContact CB-CG1 4.3Å; I91-V98 HydrophobicContact CG2-CB 3.98Å; I91-V98 HydrophobicContact CG2-CG1 3.92Å |
| 92 | A | 98.8 | Very high | 98.7 | Very high | 5 Ų | 5 | 18.4 Ų | 18.4 | 4% | 0.041 | 12% | 0.116 | C | C | . | . | H | α-helix | trans | -59.8 | -47.4 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112 | Y6 V8 I11 A88 A89 A94 G95 V98 | Y6-A92 HydrophobicContact CD1-CB 4.06Å; Y6-A92 HydrophobicContact CD2-CB 3.84Å; Y6-A92 HydrophobicContact CE1-CB 4.49Å; Y6-A92 HydrophobicContact CE2-CB 4.29Å; Y6-A92 HydrophobicContact CG-CB 3.73Å; V8-A92 HydrophobicContact CG1-CB 4.17Å; I11-A92 HydrophobicContact CD1-CB 3.54Å; A88-A92 WeakPolarHBondContact O-CB 3.44Å; A88-A92 PolarHBondContact O-N 3.27Å; A89-A92 PolarHBondContact O-N 2.7Å; A92-A94 VanDerWaalsContact C-N 3.26Å; A92-A94 PolarHBondContact O-N 2.98Å; A92-G95 PolarHBondContact O-N 3.16Å; A92-V98 HydrophobicContact CB-CG1 3.74Å |
| 93 | V | 98.6 | Very high | 98.6 | Very high | 94 Ų | 94 | 20.1 Ų | 20.1 | 57% | 0.57 | 14% | 0.135 | S | C | * | . | H | α-helix | trans | -64.5 | -29.2 | 176.5 | 171.8 | 0 | 0 | 0 | 0 | 112.4 | I11 A14 A89 G95 | I11-V93 HydrophobicContact CD1-CG2 3.62Å; I11-V93 HydrophobicContact CG1-CG2 3.79Å; A14-V93 HydrophobicContact CB-CB 3.95Å; A14-V93 HydrophobicContact CB-CG2 3.42Å; A14-V93 VanDerWaalsContact CB-CG2 3.42Å; A89-V93 WeakPolarHBondContact O-CG2 3.28Å; A89-V93 PolarHBondContact O-N 3.49Å; V93-G95 PolarHBondContact O-N 3.49Å; V93-G95 VanDerWaalsContact O-N 3.12Å |
| 94 | A | 98.4 | Very high | 98.6 | Very high | 31 Ų | 31 | 20.3 Ų | 20.3 | 26% | 0.256 | 14% | 0.136 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -71.7 | 3.7 | 172.5 | 0 | 0 | 0 | 0 | 0 | 113.8 | K67 A90 I91 A92 | K67-A94 PolarHBondContact NZ-O 3.35Å; A90-A94 WeakPolarHBondContact O-CB 3.37Å; A90-A94 PolarHBondContact O-N 3.25Å; A90-A94 VanDerWaalsContact O-N 3.12Å; I91-A94 WeakPolarHBondContact O-CB 3.23Å; I91-A94 PolarHBondContact O-N 2.87Å; A92-A94 VanDerWaalsContact C-N 3.26Å; A92-A94 PolarHBondContact O-N 2.98Å |
| 95 | G | 97.9 | Very high | 98.6 | Very high | 61 Ų | 61 | 23.1 Ų | 23.1 | 63% | 0.629 | 15% | 0.154 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 73.7 | 26.9 | 177.4 | 0 | 0 | 0 | 0 | 0 | 113.2 | A92 V93 | A92-G95 PolarHBondContact O-N 3.16Å; V93-G95 PolarHBondContact O-N 3.49Å; V93-G95 VanDerWaalsContact O-N 3.12Å |
| 96 | I | 98.6 | Very high | 98.4 | Very high | 7 Ų | 7 | 25.8 Ų | 25.8 | 4% | 0.036 | 17% | 0.165 | C | C | . | . | trans | -106.2 | 121.6 | 176.4 | -54.9 | 175.5 | 0 | 0 | 0 | 107.6 | I63 E64 K67 V73 I91 V98 | I63-I96 HydrophobicContact CG2-CD1 3.63Å; I63-I96 HydrophobicContact CG2-CG2 3.84Å; E64-I96 HydrophobicContact CG-CD1 4.37Å; K67-I96 HydrophobicContact CD-CD1 3.6Å; K67-I96 HydrophobicContact CD-CG1 3.84Å; V73-I96 HydrophobicContact CB-CG2 4.17Å; V73-I96 HydrophobicContact CG1-CG2 4.44Å; I91-I96 HydrophobicContact CG2-CB 3.76Å; I91-I96 HydrophobicContact CG2-CG2 3.99Å; I91-I96 PolarHBondContact O-N 2.74Å; I96-V98 PolarHBondContact O-N 3.38Å | ||
| 97 | P | 98.6 | Very high | 98.3 | Very high | 20 Ų | 20 | 33 Ų | 33 | 13% | 0.13 | 20% | 0.199 | C | C | . | . | trans | -59.3 | 119.6 | 178.4 | -26.3 | 35.2 | 0 | 0 | 0 | 112.3 | N5 Q74 W75 Y99 | N5-P97 VanDerWaalsContact O-CA 3.27Å; N5-P97 WeakPolarHBondContact O-CA 3.47Å; N5-P97 VanDerWaalsContact O-CB 3.27Å; N5-P97 WeakPolarHBondContact O-CB 3.41Å; Q74-P97 CarbonylContact C-O 3.38Å; Q74-P97 WeakPolarHBondContact CA-O 3.16Å; Q74-P97 HydrophobicContact CB-CB 4.24Å; Q74-P97 HydrophobicContact CG-CB 3.91Å; Q74-P97 HydrophobicContact CG-CG 4.06Å; W75-P97 PolarHBondContact N-O 2.88Å; P97-Y99 HydrophobicContact CB-CE2 4Å | ||
| 98 | V | 98.9 | Very high | 98.3 | Very high | 0 Ų | 0 | 35.8 Ų | 35.8 | 0% | 0 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.8 | 133 | 176.7 | 56.7 | 0 | 0 | 0 | 0 | 109.3 | Y6 K7 V8 M55 W75 A88 I91 A92 I96 A100 | Y6-V98 CarbonylContact C-O 3.56Å; Y6-V98 VanDerWaalsContact CA-O 3.29Å; Y6-V98 WeakPolarHBondContact CA-O 3.25Å; Y6-V98 VanDerWaalsContact CB-O 3.29Å; Y6-V98 WeakPolarHBondContact CB-O 3.08Å; K7-V98 PolarHBondContact N-O 3.23Å; V8-V98 HydrophobicContact CG1-CG1 3.78Å; M55-V98 HydrophobicContact CG-CG2 3.99Å; M55-V98 HydrophobicContact SD-CG2 3.75Å; W75-V98 HydrophobicContact CB-CG2 4.38Å; W75-V98 WeakPolarHBondContact O-CA 3.23Å; A88-V98 HydrophobicContact CB-CG2 4.43Å; A88-V98 WeakPolarHBondContact O-CG1 3.2Å; I91-V98 HydrophobicContact CB-CG1 4.3Å; I91-V98 HydrophobicContact CG2-CB 3.98Å; I91-V98 HydrophobicContact CG2-CG1 3.92Å; A92-V98 HydrophobicContact CB-CG1 3.74Å; I96-V98 PolarHBondContact O-N 3.38Å; V98-A100 HydrophobicContact CG2-CB 4.1Å |
| 99 | Y | 98.8 | Very high | 98.3 | Very high | 1 Ų | 1 | 36.2 Ų | 36.2 | 0% | 0.004 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.6 | 85.1 | 179.7 | -50.3 | -83.7 | 0 | 0 | 0 | 106.6 | K3 P4 N5 K7 W75 S76 P97 W111 C112 Q115 T116 | K3-Y99 WeakPolarHBondContact CE-OH 3.32Å; P4-Y99 HydrophobicContact CG-CE1 4.07Å; P4-Y99 VanDerWaalsContact O-CE1 3.29Å; P4-Y99 WeakPolarHBondContact O-CE1 3.42Å; P4-Y99 PolarHBondContact O-OH 2.73Å; N5-Y99 PolarHBondContact O-OH 2.78Å; K7-Y99 HydrophobicContact CB-CD1 4.11Å; K7-Y99 WeakPolarHBondContact O-CA 3.32Å; W75-Y99 PolarHBondContact O-N 3.26Å; S76-Y99 WeakPolarHBondContact CA-O 3.48Å; P97-Y99 HydrophobicContact CB-CE2 4Å; Y99-W111 HydrophobicContact CD1-CH2 4.08Å; Y99-W111 HydrophobicContact CD1-CZ3 4.15Å; Y99-C112 VanDerWaalsContact O-CB 3.28Å; Y99-C112 WeakPolarHBondContact O-CB 3.42Å; Y99-C112 PolarHBondContact O-SG 3.26Å; Y99-Q115 HydrophobicContact CD1-CB 3.77Å; Y99-Q115 HydrophobicContact CD1-CG 3.81Å; Y99-Q115 HydrophobicContact CD2-CB 3.42Å; Y99-Q115 VanDerWaalsContact CD2-CB 3.42Å; Y99-Q115 HydrophobicContact CD2-CG 4.33Å; Y99-Q115 HydrophobicContact CE1-CB 3.81Å; Y99-Q115 HydrophobicContact CE1-CG 4.01Å; Y99-Q115 HydrophobicContact CE2-CB 3.45Å; Y99-Q115 VanDerWaalsContact CE2-CB 3.45Å; Y99-Q115 HydrophobicContact CE2-CG 4.49Å; Y99-Q115 HydrophobicContact CG-CB 3.57Å; Y99-Q115 HydrophobicContact CG-CG 3.97Å; Y99-T116 HydrophobicContact CD2-CG2 4.34Å |
| 100 | A | 98.9 | Very high | 98.2 | Very high | 0 Ų | 0 | 40.1 Ų | 40.1 | 0% | 0 | 23% | 0.231 | C | C | . | . | trans | -159.8 | 136.7 | -176.3 | 0 | 0 | 0 | 0 | 0 | 111.2 | K7 M55 T83 V98 E104 | K7-A100 PolarHBondContact O-N 3.16Å; M55-A100 HydrophobicContact CB-CB 3.76Å; M55-A100 HydrophobicContact CG-CB 3.88Å; T83-A100 HydrophobicContact CG2-CB 3.99Å; V98-A100 HydrophobicContact CG2-CB 4.1Å; A100-E104 VanDerWaalsContact CA-OE1 3.23Å; A100-E104 WeakPolarHBondContact CA-OE1 3.46Å | ||
| 101 | W | 98.8 | Very high | 98.2 | Very high | 25 Ų | 25 | 43.7 Ų | 43.7 | 10% | 0.095 | 24% | 0.244 | C | C | . | . | trans | -148.9 | 162.1 | 166.5 | 54.7 | 95.2 | 0 | 0 | 0 | 111 | K7 A9 T83 D85 E104 E108 W111 C112 | K7-W101 HydrophobicContact CB-CZ3 3.98Å; K7-W101 HydrophobicContact CD-CE3 4.44Å; K7-W101 HydrophobicContact CD-CH2 3.58Å; K7-W101 HydrophobicContact CD-CZ3 3.52Å; K7-W101 HydrophobicContact CG-CE3 4.15Å; K7-W101 HydrophobicContact CG-CH2 4.18Å; K7-W101 HydrophobicContact CG-CZ3 3.6Å; K7-W101 VanDerWaalsContact NZ-CH2 3.33Å; A9-W101 HydrophobicContact CB-CB 3.86Å; T83-W101 VanDerWaalsContact CB-C 3.43Å; T83-W101 PolarHBondContact OG1-O 3.26Å; D85-W101 VanDerWaalsContact OD1-CA 3.29Å; D85-W101 WeakPolarHBondContact OD1-CA 3.24Å; W101-E104 HydrophobicContact CD2-CG 3.87Å; W101-E104 HydrophobicContact CG-CG 4.06Å; W101-E104 HydrophobicContact CZ2-CG 3.96Å; W101-E104 PolarHBondContact N-OE1 2.75Å; W101-E104 WeakPolarHBondContact O-CG 3.46Å; W101-E108 HydrophobicContact CH2-CB 4.16Å; W101-E108 HydrophobicContact CH2-CG 4.43Å; W101-E108 HydrophobicContact CZ2-CB 3.7Å; W101-E108 HydrophobicContact CZ2-CG 3.84Å; W101-E108 WeakPolarHBondContact CZ2-OE1 3.3Å; W101-W111 HydrophobicContact CH2-CE3 4.35Å; W101-W111 HydrophobicContact CH2-CZ3 4.23Å; W101-W111 HydrophobicContact CZ3-CZ3 4.34Å; W101-C112 WeakPolarHBondContact CZ3-SG 3.26Å | ||
| 102 | K | 98.5 | Very high | 98.2 | Very high | 67 Ų | 67 | 43.7 Ų | 43.7 | 29% | 0.291 | 24% | 0.244 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -76.7 | 130.3 | 174.9 | -164.1 | 178.9 | 177.9 | 81.7 | 0 | 109.8 | F81 D85 G348 | F81-K102 PolarHBondContact O-NZ 2.94Å; D85-K102 PolarHBondContact OD1-N 3.34Å; K102-G348 PolarHBondContact NZ-O 3.39Å |
| 103 | G | 97 | Very high | 98.2 | Very high | 39 Ų | 39 | 43.5 Ų | 43.5 | 40% | 0.402 | 24% | 0.242 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 87.3 | 34 | 179.5 | 0 | 0 | 0 | 0 | 0 | 114 | I80 | I80-G103 WeakPolarHBondContact O-CA 3.47Å; I80-G103 PolarHBondContact O-N 3.21Å |
| 104 | E | 98.3 | Very high | 98.1 | Very high | 6 Ų | 6 | 42.7 Ų | 42.7 | 3% | 0.028 | 23% | 0.232 | C | C | . | . | trans | -59.7 | 144.7 | 168.8 | -73.5 | 162.9 | -158.3 | 0 | 0 | 111.3 | I80 A100 W101 E108 Y109 | I80-E104 HydrophobicContact CB-CB 4.02Å; I80-E104 WeakPolarHBondContact CB-O 3.16Å; I80-E104 HydrophobicContact CG2-CB 4.02Å; I80-E104 PolarHBondContact O-N 2.97Å; A100-E104 VanDerWaalsContact CA-OE1 3.23Å; A100-E104 WeakPolarHBondContact CA-OE1 3.46Å; W101-E104 HydrophobicContact CD2-CG 3.87Å; W101-E104 HydrophobicContact CG-CG 4.06Å; W101-E104 HydrophobicContact CZ2-CG 3.96Å; W101-E104 PolarHBondContact N-OE1 2.75Å; W101-E104 WeakPolarHBondContact O-CG 3.46Å; E104-E108 HydrophobicContact CB-CB 4.32Å; E104-Y109 WeakPolarHBondContact OE2-CA 3.31Å | ||
| 105 | T | 97.6 | Very high | 98.1 | Very high | 74 Ų | 74 | 42.3 Ų | 42.3 | 45% | 0.454 | 23% | 0.225 | S | C | . | . | trans | -74.8 | 161.6 | 159.5 | 60.9 | 0 | 0 | 0 | 0 | 110.5 | E107 E108 Y109 | T105-E107 PolarHBondContact O-N 3.44Å; T105-E108 WeakPolarHBondContact CG2-OE2 3.27Å; T105-E108 PolarHBondContact N-OE2 2.65Å; T105-E108 PolarHBondContact O-N 2.73Å; T105-E108 VanDerWaalsContact O-N 3.13Å; T105-E108 WeakPolarHBondContact OG1-CB 3.44Å; T105-E108 VanDerWaalsContact OG1-CD 3.32Å; T105-E108 WeakPolarHBondContact OG1-CG 3.38Å; T105-E108 PolarHBondContact OG1-N 2.87Å; T105-E108 PolarHBondContact OG1-OE2 2.82Å; T105-Y109 PolarHBondContact O-N 3.49Å | ||
| 106 | E | 95 | Very high | 98.2 | Very high | 93 Ų | 93 | 39.4 Ų | 39.4 | 44% | 0.435 | 20% | 0.195 | S | C | . | . | H | α-helix | trans | -58.8 | -35 | 175.6 | -65.7 | -67.2 | 160.6 | 0 | 0 | 112.5 | F110 R343 | E106-F110 WeakPolarHBondContact O-CD2 3.23Å; E106-F110 PolarHBondContact O-N 3.29Å; E106-R343 IonicContact OE1-CZ 3.19Å; E106-R343 IonicContact OE1-NH2 2.65Å; E106-R343 PolarHBondContact OE1-NH2 3.31Å |
| 107 | E | 97.8 | Very high | 98.1 | Very high | 168 Ų | 168 | 39.2 Ų | 39.2 | 79% | 0.785 | 19% | 0.194 | S | C | * | . | H | α-helix | trans | -65.9 | -44.3 | 175.3 | -175.9 | 178.4 | 173.9 | 0 | 0 | 111.3 | T105 W111 | T105-E107 PolarHBondContact O-N 3.44Å; E107-W111 WeakPolarHBondContact O-CB 3.5Å; E107-W111 PolarHBondContact O-N 2.67Å |
| 108 | E | 98.5 | Very high | 98.1 | Very high | 57 Ų | 57 | 42 Ų | 42 | 27% | 0.266 | 21% | 0.206 | S | C | . | . | H | α-helix | trans | -65.4 | -38 | 177.4 | -72.5 | 169.3 | 133 | 0 | 0 | 112.3 | K7 W101 E104 T105 W111 C112 | K7-E108 IonicContact NZ-OE1 3.94Å; W101-E108 HydrophobicContact CH2-CB 4.16Å; W101-E108 HydrophobicContact CH2-CG 4.43Å; W101-E108 HydrophobicContact CZ2-CB 3.7Å; W101-E108 HydrophobicContact CZ2-CG 3.84Å; W101-E108 WeakPolarHBondContact CZ2-OE1 3.3Å; E104-E108 HydrophobicContact CB-CB 4.32Å; T105-E108 WeakPolarHBondContact CG2-OE2 3.27Å; T105-E108 PolarHBondContact N-OE2 2.65Å; T105-E108 PolarHBondContact O-N 2.73Å; T105-E108 VanDerWaalsContact O-N 3.13Å; T105-E108 WeakPolarHBondContact OG1-CB 3.44Å; T105-E108 VanDerWaalsContact OG1-CD 3.32Å; T105-E108 WeakPolarHBondContact OG1-CG 3.38Å; T105-E108 PolarHBondContact OG1-N 2.87Å; T105-E108 PolarHBondContact OG1-OE2 2.82Å; E108-W111 WeakPolarHBondContact O-CB 2.98Å; E108-W111 PolarHBondContact O-N 3.21Å; E108-C112 WeakPolarHBondContact O-CB 3.38Å; E108-C112 PolarHBondContact O-N 2.95Å; E108-C112 PolarHBondContact O-SG 2.78Å |
| 109 | Y | 98.3 | Very high | 98 | Very high | 9 Ų | 9 | 42.4 Ų | 42.4 | 4% | 0.035 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -56.8 | -53.1 | 176.2 | 174 | -105.8 | 0 | 0 | 0 | 112.2 | S77 S78 I80 E104 T105 W111 C112 I113 D134 | S77-Y109 WeakPolarHBondContact O-CE2 3.39Å; S78-Y109 PolarHBondContact O-OH 3.03Å; I80-Y109 HydrophobicContact CG2-CD2 4.1Å; I80-Y109 HydrophobicContact CG2-CG 4.12Å; E104-Y109 WeakPolarHBondContact OE2-CA 3.31Å; T105-Y109 PolarHBondContact O-N 3.49Å; Y109-W111 VanDerWaalsContact C-N 3.33Å; Y109-W111 PolarHBondContact O-N 2.87Å; Y109-C112 WeakPolarHBondContact O-CB 3.44Å; Y109-C112 PolarHBondContact O-N 2.97Å; Y109-I113 HydrophobicContact CD1-CD1 4.32Å; Y109-I113 HydrophobicContact CE1-CD1 3.74Å; Y109-I113 HydrophobicContact CE2-CD1 4.39Å; Y109-I113 PolarHBondContact O-N 3.27Å; Y109-I113 VanDerWaalsContact O-N 3.11Å; Y109-D134 PolarHBondContact OH-OD2 2.99Å |
| 110 | F | 98 | Very high | 97.7 | Very high | 82 Ų | 82 | 47.2 Ų | 47.2 | 36% | 0.36 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -68.8 | -32.5 | 177.4 | -75.4 | -69.1 | 0 | 0 | 0 | 112.5 | E106 C112 I113 E114 Y138 | E106-F110 WeakPolarHBondContact O-CD2 3.23Å; E106-F110 PolarHBondContact O-N 3.29Å; F110-C112 VanDerWaalsContact C-N 3.32Å; F110-C112 PolarHBondContact O-N 3Å; F110-I113 HydrophobicContact CD1-CD1 4.23Å; F110-I113 PolarHBondContact O-N 3.03Å; F110-E114 PolarHBondContact O-N 3.48Å; F110-Y138 AromaticContact CD1-CD2 3.91Å; F110-Y138 HydrophobicContact CD1-CD2 3.91Å; F110-Y138 AromaticContact CD1-CE2 3.97Å; F110-Y138 HydrophobicContact CD1-CE2 3.97Å; F110-Y138 HydrophobicContact CE1-CD2 4.32Å |
| 111 | W | 98.2 | Very high | 97.4 | Very high | 79 Ų | 79 | 50.9 Ų | 50.9 | 30% | 0.299 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -60.8 | -42.2 | 171.7 | 175.9 | 88.9 | 0 | 0 | 0 | 111.6 | P4 K7 Y99 W101 E107 E108 Y109 E114 Q115 | P4-W111 HydrophobicContact CG-CH2 3.86Å; P4-W111 HydrophobicContact CG-CZ2 3.98Å; K7-W111 HydrophobicContact CB-CH2 4.09Å; K7-W111 HydrophobicContact CB-CZ3 4.11Å; K7-W111 HydrophobicContact CD-CH2 3.66Å; K7-W111 HydrophobicContact CD-CZ3 3.59Å; K7-W111 HydrophobicContact CG-CZ3 4.46Å; Y99-W111 HydrophobicContact CD1-CH2 4.08Å; Y99-W111 HydrophobicContact CD1-CZ3 4.15Å; W101-W111 HydrophobicContact CH2-CE3 4.35Å; W101-W111 HydrophobicContact CH2-CZ3 4.23Å; W101-W111 HydrophobicContact CZ3-CZ3 4.34Å; E107-W111 WeakPolarHBondContact O-CB 3.5Å; E107-W111 PolarHBondContact O-N 2.67Å; E108-W111 WeakPolarHBondContact O-CB 2.98Å; E108-W111 PolarHBondContact O-N 3.21Å; Y109-W111 VanDerWaalsContact C-N 3.33Å; Y109-W111 PolarHBondContact O-N 2.87Å; W111-E114 PolarHBondContact O-N 3.11Å; W111-Q115 HydrophobicContact CD2-CG 4.02Å; W111-Q115 HydrophobicContact CE3-CG 4.05Å; W111-Q115 HydrophobicContact CH2-CG 3.7Å; W111-Q115 HydrophobicContact CZ2-CG 3.68Å; W111-Q115 HydrophobicContact CZ3-CG 3.88Å; W111-Q115 VanDerWaalsContact O-CG 3.28Å; W111-Q115 WeakPolarHBondContact O-CG 3.43Å; W111-Q115 PolarHBondContact O-N 3.33Å; W111-Q115 VanDerWaalsContact O-N 3.09Å; W111-Q115 PolarHBondContact O-NE2 2.81Å |
| 112 | C | 98.7 | Very high | 97.2 | Very high | 0 Ų | 0 | 52 Ų | 52 | 0% | 0 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -61.1 | -46.3 | 176.4 | -76.8 | 0 | 0 | 0 | 0 | 111.5 | Y99 W101 E108 Y109 F110 E114 Q115 | Y99-C112 VanDerWaalsContact O-CB 3.28Å; Y99-C112 WeakPolarHBondContact O-CB 3.42Å; Y99-C112 PolarHBondContact O-SG 3.26Å; W101-C112 WeakPolarHBondContact CZ3-SG 3.26Å; E108-C112 WeakPolarHBondContact O-CB 3.38Å; E108-C112 PolarHBondContact O-N 2.95Å; E108-C112 PolarHBondContact O-SG 2.78Å; Y109-C112 WeakPolarHBondContact O-CB 3.44Å; Y109-C112 PolarHBondContact O-N 2.97Å; F110-C112 VanDerWaalsContact C-N 3.32Å; F110-C112 PolarHBondContact O-N 3Å; C112-E114 VanDerWaalsContact C-N 3.33Å; C112-E114 PolarHBondContact O-N 3.23Å; C112-Q115 PolarHBondContact O-N 2.93Å |
| 113 | I | 98.5 | Very high | 97.1 | Very high | 0 Ų | 0 | 53.4 Ų | 53.4 | 0% | 0 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -56.8 | -48.2 | 174.3 | -67.7 | 175.2 | 0 | 0 | 0 | 110.3 | Y109 F110 Q115 T116 D134 L135 Y138 | Y109-I113 HydrophobicContact CD1-CD1 4.32Å; Y109-I113 HydrophobicContact CE1-CD1 3.74Å; Y109-I113 HydrophobicContact CE2-CD1 4.39Å; Y109-I113 PolarHBondContact O-N 3.27Å; Y109-I113 VanDerWaalsContact O-N 3.11Å; F110-I113 HydrophobicContact CD1-CD1 4.23Å; F110-I113 PolarHBondContact O-N 3.03Å; I113-Q115 PolarHBondContact O-N 2.9Å; I113-T116 WeakPolarHBondContact O-CB 3.36Å; I113-T116 PolarHBondContact O-N 2.76Å; I113-T116 PolarHBondContact O-OG1 3.05Å; I113-D134 HydrophobicContact CD1-CB 4.29Å; I113-L135 HydrophobicContact CG2-CB 4.49Å; I113-L135 HydrophobicContact CG2-CD1 3.86Å; I113-Y138 HydrophobicContact CG2-CD1 3.92Å; I113-Y138 HydrophobicContact CG2-CE1 4.48Å; I113-Y138 HydrophobicContact CG2-CG 4.24Å |
| 114 | E | 97.7 | Very high | 97.2 | Very high | 77 Ų | 77 | 53.2 Ų | 53.2 | 36% | 0.36 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -59.2 | -35.5 | -179.4 | -171.9 | 177 | -165.8 | 0 | 0 | 112.4 | F110 W111 C112 T116 L117 Y138 Y143 | F110-E114 PolarHBondContact O-N 3.48Å; W111-E114 PolarHBondContact O-N 3.11Å; C112-E114 VanDerWaalsContact C-N 3.33Å; C112-E114 PolarHBondContact O-N 3.23Å; E114-T116 PolarHBondContact O-N 2.79Å; E114-T116 VanDerWaalsContact O-N 3.16Å; E114-L117 HydrophobicContact CG-CD1 4.42Å; E114-L117 WeakPolarHBondContact O-CG 3.49Å; E114-L117 PolarHBondContact O-N 2.59Å; E114-Y138 HydrophobicContact CB-CE1 4.2Å; E114-Y143 VanDerWaalsContact CD-OH 3.28Å; E114-Y143 PolarHBondContact OE1-OH 3.16Å |
| 115 | Q | 98.1 | Very high | 97.2 | Very high | 23 Ų | 23 | 53 Ų | 53 | 11% | 0.107 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -63.8 | -21.7 | 178 | -59.6 | -33.7 | -71.5 | 0 | 0 | 112.7 | K3 Q74 Y99 W111 C112 I113 L117 | K3-Q115 VanDerWaalsContact CE-O 3.23Å; K3-Q115 WeakPolarHBondContact CE-O 3.42Å; K3-Q115 PolarHBondContact NZ-O 2.8Å; Q74-Q115 PolarHBondContact NE2-O 3Å; Y99-Q115 HydrophobicContact CD1-CB 3.77Å; Y99-Q115 HydrophobicContact CD1-CG 3.81Å; Y99-Q115 HydrophobicContact CD2-CB 3.42Å; Y99-Q115 VanDerWaalsContact CD2-CB 3.42Å; Y99-Q115 HydrophobicContact CD2-CG 4.33Å; Y99-Q115 HydrophobicContact CE1-CB 3.81Å; Y99-Q115 HydrophobicContact CE1-CG 4.01Å; Y99-Q115 HydrophobicContact CE2-CB 3.45Å; Y99-Q115 VanDerWaalsContact CE2-CB 3.45Å; Y99-Q115 HydrophobicContact CE2-CG 4.49Å; Y99-Q115 HydrophobicContact CG-CB 3.57Å; Y99-Q115 HydrophobicContact CG-CG 3.97Å; W111-Q115 HydrophobicContact CD2-CG 4.02Å; W111-Q115 HydrophobicContact CE3-CG 4.05Å; W111-Q115 HydrophobicContact CH2-CG 3.7Å; W111-Q115 HydrophobicContact CZ2-CG 3.68Å; W111-Q115 HydrophobicContact CZ3-CG 3.88Å; W111-Q115 VanDerWaalsContact O-CG 3.28Å; W111-Q115 WeakPolarHBondContact O-CG 3.43Å; W111-Q115 PolarHBondContact O-N 3.33Å; W111-Q115 VanDerWaalsContact O-N 3.09Å; W111-Q115 PolarHBondContact O-NE2 2.81Å; C112-Q115 PolarHBondContact O-N 2.93Å; I113-Q115 PolarHBondContact O-N 2.9Å; Q115-L117 VanDerWaalsContact C-N 3.33Å; Q115-L117 PolarHBondContact O-N 3.37Å |
| 116 | T | 98.6 | Very high | 97.2 | Very high | 0 Ų | 0 | 50 Ų | 50 | 0% | 0 | 26% | 0.257 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -80.6 | -10.8 | -179.3 | 71.9 | 0 | 0 | 0 | 0 | 114.1 | Q74 Y99 I113 E114 | Q74-T116 HydrophobicContact CB-CG2 4.43Å; Q74-T116 PolarHBondContact NE2-O 3.34Å; Y99-T116 HydrophobicContact CD2-CG2 4.34Å; I113-T116 WeakPolarHBondContact O-CB 3.36Å; I113-T116 PolarHBondContact O-N 2.76Å; I113-T116 PolarHBondContact O-OG1 3.05Å; E114-T116 PolarHBondContact O-N 2.79Å; E114-T116 VanDerWaalsContact O-N 3.16Å |
| 117 | L | 98.3 | Very high | 97.4 | Very high | 4 Ų | 4 | 45.5 Ų | 45.5 | 2% | 0.021 | 24% | 0.237 | C | C | . | . | S | Bend | trans | -77.2 | -33.5 | -167.9 | -58.6 | -173.9 | 0 | 0 | 0 | 114.6 | E114 Q115 P124 L125 L135 Y138 V139 Y143 L146 | E114-L117 HydrophobicContact CG-CD1 4.42Å; E114-L117 WeakPolarHBondContact O-CG 3.49Å; E114-L117 PolarHBondContact O-N 2.59Å; Q115-L117 VanDerWaalsContact C-N 3.33Å; Q115-L117 PolarHBondContact O-N 3.37Å; L117-P124 CarbonylContact O-C 3.58Å; L117-P124 WeakPolarHBondContact O-CA 3.19Å; L117-L125 HydrophobicContact CB-CD2 4.31Å; L117-L125 HydrophobicContact CD2-CD1 4.19Å; L117-L125 HydrophobicContact CD2-CD2 4.15Å; L117-L125 WeakPolarHBondContact O-CD2 3.33Å; L117-L125 PolarHBondContact O-N 3.34Å; L117-L135 HydrophobicContact CD2-CD1 3.69Å; L117-Y138 HydrophobicContact CD1-CD1 4.37Å; L117-Y138 HydrophobicContact CD1-CE1 4.27Å; L117-V139 HydrophobicContact CD2-CG2 3.69Å; L117-Y143 HydrophobicContact CD1-CD1 4.43Å; L117-Y143 HydrophobicContact CD1-CD2 3.68Å; L117-Y143 HydrophobicContact CD1-CE1 4.42Å; L117-Y143 HydrophobicContact CD1-CE2 3.73Å; L117-Y143 HydrophobicContact CD1-CG 4.09Å; L117-L146 HydrophobicContact CB-CD1 4.36Å |
| 118 | M | 97.5 | Very high | 97.5 | Very high | 78 Ų | 78 | 37.5 Ų | 37.5 | 38% | 0.384 | 20% | 0.199 | S | C | . | . | B | Isolated β-bridge | trans | -114 | 128 | -178.5 | -62.4 | -56.1 | -59.1 | 0 | 0 | 110.3 | K3 Q74 G122 P124 | K3-M118 PolarHBondContact NZ-O 3Å; Q74-M118 PolarHBondContact NE2-O 2.54Å; Q74-M118 PolarHBondContact OE1-O 3.37Å; M118-G122 WeakPolarHBondContact CE-O 3.19Å; M118-P124 HydrophobicContact CE-CB 4.3Å; M118-P124 HydrophobicContact SD-CB 3.9Å |
| 119 | F | 97.4 | Very high | 97.5 | Very high | 8 Ų | 8 | 34.8 Ų | 34.8 | 4% | 0.035 | 19% | 0.187 | C | C | . | . | trans | -86 | 161.9 | -177.9 | -79.8 | -112.2 | 0 | 0 | 0 | 111.6 | R48 Q72 Q74 D121 G122 Q123 L125 | R48-F119 HydrophobicContact CB-CD1 3.92Å; R48-F119 HydrophobicContact CB-CD2 3.79Å; R48-F119 HydrophobicContact CB-CE1 3.74Å; R48-F119 HydrophobicContact CB-CE2 3.66Å; R48-F119 HydrophobicContact CB-CG 3.95Å; R48-F119 HydrophobicContact CB-CZ 3.63Å; R48-F119 HydrophobicContact CG-CD1 3.88Å; R48-F119 HydrophobicContact CG-CD2 4.3Å; R48-F119 HydrophobicContact CG-CE1 4.13Å; R48-F119 HydrophobicContact CG-CG 3.98Å; R48-F119 HydrophobicContact CG-CZ 4.49Å; Q72-F119 HydrophobicContact CB-CD1 3.68Å; Q72-F119 HydrophobicContact CB-CE1 3.62Å; Q72-F119 WeakPolarHBondContact O-CE1 3.22Å; Q74-F119 HydrophobicContact CB-CZ 4.25Å; Q74-F119 HydrophobicContact CG-CD1 3.99Å; Q74-F119 HydrophobicContact CG-CE1 3.68Å; Q74-F119 HydrophobicContact CG-CE2 4.2Å; Q74-F119 HydrophobicContact CG-CG 4.39Å; Q74-F119 HydrophobicContact CG-CZ 3.77Å; F119-D121 WeakPolarHBondContact CB-OD1 3.36Å; F119-D121 PolarHBondContact O-N 2.92Å; F119-D121 VanDerWaalsContact O-N 3.11Å; F119-G122 WeakPolarHBondContact O-CA 3.44Å; F119-G122 PolarHBondContact O-N 2.74Å; F119-Q123 WeakPolarHBondContact CB-O 3.41Å; F119-Q123 PolarHBondContact N-O 2.75Å; F119-L125 HydrophobicContact CE2-CB 3.92Å | ||
| 120 | P | 92.5 | Very high | 97.5 | Very high | 103 Ų | 103 | 34.4 Ų | 34.4 | 67% | 0.669 | 19% | 0.185 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -60.8 | -21.6 | -176.8 | -25.6 | 36.3 | 0 | 0 | 0 | 114.6 | G122 | P120-G122 PolarHBondContact O-N 3.02Š|
| 121 | D | 92.7 | Very high | 97.5 | Very high | 77 Ų | 77 | 31 Ų | 31 | 41% | 0.412 | 17% | 0.17 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -79.6 | 4.8 | 173.5 | 64.4 | 3.5 | 0 | 0 | 0 | 113.5 | Q72 F119 Q123 | Q72-D121 PolarHBondContact NE2-OD2 3.34Å; F119-D121 WeakPolarHBondContact CB-OD1 3.36Å; F119-D121 PolarHBondContact O-N 2.92Å; F119-D121 VanDerWaalsContact O-N 3.11Å; D121-Q123 PolarHBondContact O-N 3.24Å; D121-Q123 VanDerWaalsContact OD1-CB 3.25Å; D121-Q123 WeakPolarHBondContact OD1-CB 3.19Å; D121-Q123 PolarHBondContact OD1-N 3.43Å |
| 122 | G | 94.3 | Very high | 97.3 | Very high | 49 Ų | 49 | 27.2 Ų | 27.2 | 51% | 0.505 | 16% | 0.156 | S | C | . | . | S | Bend | trans | 78.4 | 0.1 | -177.8 | 0 | 0 | 0 | 0 | 0 | 114.1 | M118 F119 P120 | M118-G122 WeakPolarHBondContact CE-O 3.19Å; F119-G122 WeakPolarHBondContact O-CA 3.44Å; F119-G122 PolarHBondContact O-N 2.74Å; P120-G122 PolarHBondContact O-N 3.02Å |
| 123 | Q | 97.1 | Very high | 97.2 | Very high | 96 Ų | 96 | 27.2 Ų | 27.2 | 45% | 0.449 | 16% | 0.157 | S | C | . | . | P | Polyproline II helix | trans | -86.1 | 145.6 | 178.6 | -60.2 | -62.5 | -46.9 | 0 | 0 | 111.2 | F119 D121 | F119-Q123 WeakPolarHBondContact CB-O 3.41Å; F119-Q123 PolarHBondContact N-O 2.75Å; D121-Q123 PolarHBondContact O-N 3.24Å; D121-Q123 VanDerWaalsContact OD1-CB 3.25Å; D121-Q123 WeakPolarHBondContact OD1-CB 3.19Å; D121-Q123 PolarHBondContact OD1-N 3.43Å |
| 124 | P | 97.8 | Very high | 97.1 | Very high | 34 Ų | 34 | 28.7 Ų | 28.7 | 22% | 0.221 | 16% | 0.164 | C | C | . | . | B | Isolated β-bridge | trans | -73.8 | 160 | 175.5 | 31.9 | -35.6 | 0 | 0 | 0 | 111.4 | R48 L117 M118 L146 | R48-P124 PolarHBondContact NE-O 3.45Å; R48-P124 PolarHBondContact NH2-O 2.83Å; R48-P124 VanDerWaalsContact NH2-O 3.09Å; L117-P124 CarbonylContact O-C 3.58Å; L117-P124 WeakPolarHBondContact O-CA 3.19Å; M118-P124 HydrophobicContact CE-CB 4.3Å; M118-P124 HydrophobicContact SD-CB 3.9Å; P124-L146 HydrophobicContact CB-CD2 3.61Å; P124-L146 HydrophobicContact CG-CD2 4.25Å |
| 125 | L | 98.6 | Very high | 97.1 | Very high | 1 Ų | 1 | 25 Ų | 25 | 1% | 0.005 | 15% | 0.147 | C | C | . | . | P | Polyproline II helix | trans | -47.7 | 146.4 | 166 | 79.2 | 166.8 | 0 | 0 | 0 | 111.2 | R48 A50 L117 F119 I128 V139 L146 I150 | R48-L125 WeakPolarHBondContact O-CA 3.33Å; A50-L125 HydrophobicContact CB-CB 3.96Å; A50-L125 HydrophobicContact CB-CD1 3.56Å; A50-L125 HydrophobicContact CB-CG 4.41Å; L117-L125 HydrophobicContact CB-CD2 4.31Å; L117-L125 HydrophobicContact CD2-CD1 4.19Å; L117-L125 HydrophobicContact CD2-CD2 4.15Å; L117-L125 WeakPolarHBondContact O-CD2 3.33Å; L117-L125 PolarHBondContact O-N 3.34Å; F119-L125 HydrophobicContact CE2-CB 3.92Å; L125-I128 HydrophobicContact CD1-CD1 4.2Å; L125-I128 HydrophobicContact CD1-CG1 3.67Å; L125-V139 HydrophobicContact CD1-CG2 4.36Å; L125-L146 HydrophobicContact CD2-CB 4.36Å; L125-L146 HydrophobicContact CD2-CD1 4.04Å; L125-I150 HydrophobicContact CD1-CD1 3.93Å; L125-I150 HydrophobicContact CD2-CD1 4.24Å; L125-I150 HydrophobicContact CG-CD1 3.9Å; L125-I150 HydrophobicContact CG-CG1 4.2Å |
| 126 | N | 98.4 | Very high | 97.1 | Very high | 11 Ų | 11 | 24 Ų | 24 | 6% | 0.059 | 14% | 0.142 | C | C | . | . | trans | -131.6 | 3.2 | 174.7 | 64.9 | 18 | 0 | 0 | 0 | 113.1 | G46 A47 R48 G149 I150 R151 W373 | G46-N126 PolarHBondContact O-ND2 3.22Å; A47-N126 WeakPolarHBondContact CA-OD1 3.06Å; R48-N126 VanDerWaalsContact CZ-ND2 3.27Å; R48-N126 PolarHBondContact N-OD1 2.85Å; R48-N126 PolarHBondContact NH1-ND2 2.85Å; R48-N126 PolarHBondContact NH2-ND2 3.45Å; R48-N126 PolarHBondContact O-N 3.19Å; R48-N126 PolarHBondContact O-OD1 2.9Å; N126-G149 WeakPolarHBondContact CB-O 3.43Å; N126-I150 WeakPolarHBondContact O-CA 3.49Å; N126-R151 PolarHBondContact O-N 2.89Å; N126-W373 HydrophobicContact CB-CZ3 4.39Å; N126-W373 WeakPolarHBondContact ND2-CH2 3.36Å | ||
| 127 | M | 98.7 | Very high | 97.1 | Very high | 0 Ų | 0 | 24.8 Ų | 24.8 | 0% | 0 | 15% | 0.148 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.7 | 142.4 | 173.7 | -74.1 | -61.3 | -64.4 | 0 | 0 | 108.4 | A47 R48 V49 A50 R151 L372 W373 | A47-M127 HydrophobicContact CB-CG 4.28Å; R48-M127 PolarHBondContact O-N 3.48Å; V49-M127 HydrophobicContact CB-CB 4.4Å; V49-M127 HydrophobicContact CG2-CB 3.88Å; A50-M127 PolarHBondContact N-O 3.23Å; M127-R151 HydrophobicContact SD-CB 3.83Å; M127-R151 HydrophobicContact SD-CG 4.46Å; M127-L372 HydrophobicContact CE-CB 3.72Å; M127-L372 HydrophobicContact CE-CD1 4.12Å; M127-L372 HydrophobicContact SD-CB 4.49Å; M127-W373 HydrophobicContact CG-CE3 3.7Å; M127-W373 HydrophobicContact CG-CZ3 4.21Å; M127-W373 HydrophobicContact SD-CE3 3.86Å |
| 128 | I | 98.8 | Very high | 97 | Very high | 0 Ų | 0 | 26.1 Ų | 26.1 | 0% | 0 | 15% | 0.153 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.9 | 135.3 | 173.4 | -71.5 | 174.7 | 0 | 0 | 0 | 108.6 | L125 D130 L135 V139 I150 G152 V153 S154 Q369 | L125-I128 HydrophobicContact CD1-CD1 4.2Å; L125-I128 HydrophobicContact CD1-CG1 3.67Å; I128-D130 HydrophobicContact CG2-CB 3.83Å; I128-L135 HydrophobicContact CD1-CG 4.36Å; I128-L135 HydrophobicContact CG1-CD2 4.28Å; I128-L135 HydrophobicContact CG1-CG 4.33Å; I128-L135 HydrophobicContact CG2-CD2 3.89Å; I128-L135 HydrophobicContact CG2-CG 4.11Å; I128-V139 HydrophobicContact CD1-CB 4.46Å; I128-V139 HydrophobicContact CD1-CG2 4.33Å; I128-I150 HydrophobicContact CD1-CD1 3.71Å; I128-I150 HydrophobicContact CD1-CG2 4.45Å; I128-I150 HydrophobicContact CG1-CD1 4.11Å; I128-I150 HydrophobicContact CG1-CG2 4.36Å; I128-G152 PolarHBondContact N-O 3.28Å; I128-G152 VanDerWaalsContact N-O 3.07Å; I128-V153 HydrophobicContact CB-CB 4.37Å; I128-V153 HydrophobicContact CB-CG1 4.49Å; I128-V153 HydrophobicContact CB-CG2 3.8Å; I128-V153 HydrophobicContact CD1-CG2 4.06Å; I128-V153 HydrophobicContact CG1-CG2 4.45Å; I128-V153 HydrophobicContact CG2-CB 4.42Å; I128-V153 HydrophobicContact CG2-CG1 4.01Å; I128-V153 HydrophobicContact CG2-CG2 4.04Å; I128-V153 WeakPolarHBondContact O-CA 3.48Å; I128-S154 PolarHBondContact O-N 3.44Å; I128-S154 VanDerWaalsContact O-N 3.07Å; I128-Q369 PolarHBondContact O-NE2 3.09Å |
| 129 | L | 98.9 | Very high | 97 | Very high | 0 Ų | 0 | 22.4 Ų | 22.4 | 0% | 0 | 14% | 0.135 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.3 | 118.6 | 163 | -172.9 | 157.6 | 0 | 0 | 0 | 107 | V49 A50 G51 C52 L53 L62 L66 W75 Q365 M366 Q369 | V49-L129 HydrophobicContact CG1-CB 4.08Å; A50-L129 PolarHBondContact O-N 3.14Å; G51-L129 VanDerWaalsContact CA-O 3.31Å; G51-L129 WeakPolarHBondContact CA-O 3.49Å; C52-L129 PolarHBondContact N-O 2.85Å; L53-L129 HydrophobicContact CB-CD2 4.28Å; L53-L129 HydrophobicContact CD1-CD2 3.69Å; L62-L129 HydrophobicContact CD1-CD1 4.49Å; L62-L129 HydrophobicContact CD2-CD1 4.2Å; L62-L129 HydrophobicContact CD2-CD2 4.42Å; L66-L129 HydrophobicContact CD1-CD1 4.31Å; W75-L129 HydrophobicContact CH2-CD1 4.02Å; W75-L129 HydrophobicContact CH2-CD2 3.82Å; W75-L129 HydrophobicContact CH2-CG 4.36Å; W75-L129 HydrophobicContact CZ2-CD2 4.01Å; L129-Q365 HydrophobicContact CD1-CB 4.09Å; L129-Q365 HydrophobicContact CD1-CG 4.39Å; L129-M366 HydrophobicContact CD1-CE 4.21Å; L129-Q369 HydrophobicContact CD1-CG 4.22Å |
| 130 | D | 98.6 | Very high | 97 | Very high | 0 Ų | 0 | 23 Ų | 23 | 0% | 0 | 14% | 0.138 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.9 | 150.7 | -166.2 | -146.7 | -8.1 | 0 | 0 | 0 | 111.5 | C52 I128 G133 L135 T136 S154 E155 E156 | C52-D130 CarbonylContact O-C 3.49Å; I128-D130 HydrophobicContact CG2-CB 3.83Å; D130-G133 VanDerWaalsContact OD2-C 3.32Å; D130-G133 VanDerWaalsContact OD2-CA 3.23Å; D130-G133 WeakPolarHBondContact OD2-CA 3.31Å; D130-L135 PolarHBondContact OD1-N 3.38Å; D130-L135 PolarHBondContact OD2-N 3.16Å; D130-T136 WeakPolarHBondContact OD2-CB 3.43Å; D130-T136 PolarHBondContact OD2-N 3.26Å; D130-T136 PolarHBondContact OD2-OG1 3.06Å; D130-S154 PolarHBondContact N-O 3.45Å; D130-E155 WeakPolarHBondContact CB-OE2 3.25Å; D130-E155 WeakPolarHBondContact O-CA 3.44Å; D130-E156 PolarHBondContact O-N 2.95Å |
| 131 | D | 97.6 | Very high | 97.2 | Very high | 10 Ų | 10 | 25 Ų | 25 | 5% | 0.053 | 14% | 0.138 | C | C | . | . | S | Bend | trans | -137.6 | 99.8 | 174.1 | -178.5 | -42.2 | 0 | 0 | 0 | 107.1 | C52 L53 H54 S78 E155 E156 T157 H301 | C52-D131 PolarHBondContact O-N 3.21Å; L53-D131 HydrophobicContact CB-CB 3.99Å; L53-D131 HydrophobicContact CD1-CB 3.92Å; L53-D131 HydrophobicContact CG-CB 3.64Å; H54-D131 IonicContact CD2-OD2 3.86Å; S78-D131 WeakPolarHBondContact CB-O 3.34Å; D131-E155 WeakPolarHBondContact CA-OE1 3.27Å; D131-E156 HydrophobicContact CB-CB 4.15Å; D131-T157 HydrophobicContact CB-CG2 4.45Å; D131-T157 VanDerWaalsContact CG-CG2 3.45Å; D131-T157 WeakPolarHBondContact OD1-CG2 3.34Å; D131-H301 IonicContact OD1-CE1 2.74Å; D131-H301 PolarHBondContact OD1-CE1 2.9Å; D131-H301 IonicContact OD1-ND1 2.77Å |
| 132 | G | 94.2 | Very high | 97.4 | Very high | 0 Ų | 0 | 29.6 Ų | 29.6 | 0% | 0 | 15% | 0.15 | C | C | . | . | S | Bend | trans | 105.6 | -9.4 | -178.7 | 0 | 0 | 0 | 0 | 0 | 115.2 | D134 E155 T157 K163 H301 | G132-D134 VanDerWaalsContact C-N 3.35Å; G132-E155 PolarHBondContact N-OE1 2.97Å; G132-E155 PolarHBondContact N-OE2 3.22Å; G132-T157 WeakPolarHBondContact CA-OG1 3.44Å; G132-T157 PolarHBondContact N-OG1 2.77Å; G132-K163 WeakPolarHBondContact O-CD 3.25Å; G132-K163 WeakPolarHBondContact O-CE 3.39Å; G132-K163 PolarHBondContact O-NZ 3.28Å; G132-H301 WeakPolarHBondContact CA-CE1 3.26Å; G132-H301 WeakPolarHBondContact CA-NE2 3.34Å |
| 133 | G | 96.4 | Very high | 97.5 | Very high | 1 Ų | 1 | 30.5 Ų | 30.5 | 1% | 0.01 | 14% | 0.138 | C | C | . | . | S | Bend | trans | 77.3 | 14.8 | 175.8 | 0 | 0 | 0 | 0 | 0 | 114.7 | D130 S137 E155 | D130-G133 VanDerWaalsContact OD2-C 3.32Å; D130-G133 VanDerWaalsContact OD2-CA 3.23Å; D130-G133 WeakPolarHBondContact OD2-CA 3.31Å; G133-S137 VanDerWaalsContact O-CB 3.26Å; G133-S137 WeakPolarHBondContact O-CB 3.41Å; G133-S137 PolarHBondContact O-N 3.08Å; G133-S137 PolarHBondContact O-OG 3.08Å; G133-E155 WeakPolarHBondContact CA-OE2 3.37Å; G133-E155 PolarHBondContact N-OE2 3.46Å |
| 134 | D | 96.9 | Very high | 97.4 | Very high | 30 Ų | 30 | 28.4 Ų | 28.4 | 16% | 0.16 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -73.9 | -45.4 | -176.8 | -81.1 | -1.7 | 0 | 0 | 0 | 111.5 | Y109 I113 G132 T136 S137 Y138 K163 | Y109-D134 PolarHBondContact OH-OD2 2.99Å; I113-D134 HydrophobicContact CD1-CB 4.29Å; G132-D134 VanDerWaalsContact C-N 3.35Å; D134-T136 VanDerWaalsContact C-N 3.32Å; D134-T136 PolarHBondContact O-N 2.95Å; D134-S137 PolarHBondContact O-N 3.43Å; D134-Y138 WeakPolarHBondContact O-CB 3.38Å; D134-Y138 PolarHBondContact O-N 3.35Å; D134-K163 IonicContact OD1-NZ 3.68Å; D134-K163 PolarHBondContact OD1-NZ 2.96Å |
| 135 | L | 98.4 | Very high | 97.3 | Very high | 0 Ų | 0 | 35.2 Ų | 35.2 | 0% | 0 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -62.5 | -43 | 175.2 | 170.2 | 59.5 | 0 | 0 | 0 | 110.9 | A50 C52 I113 L117 I128 D130 Y138 V139 | A50-L135 HydrophobicContact CB-CD2 3.84Å; A50-L135 WeakPolarHBondContact O-CD2 3.49Å; C52-L135 HydrophobicContact CB-CB 3.52Å; C52-L135 HydrophobicContact CB-CD2 3.98Å; C52-L135 HydrophobicContact CB-CG 4.37Å; I113-L135 HydrophobicContact CG2-CB 4.49Å; I113-L135 HydrophobicContact CG2-CD1 3.86Å; L117-L135 HydrophobicContact CD2-CD1 3.69Å; I128-L135 HydrophobicContact CD1-CG 4.36Å; I128-L135 HydrophobicContact CG1-CD2 4.28Å; I128-L135 HydrophobicContact CG1-CG 4.33Å; I128-L135 HydrophobicContact CG2-CD2 3.89Å; I128-L135 HydrophobicContact CG2-CG 4.11Å; D130-L135 PolarHBondContact OD1-N 3.38Å; D130-L135 PolarHBondContact OD2-N 3.16Å; L135-Y138 PolarHBondContact O-N 3.05Å; L135-V139 HydrophobicContact CD1-CG2 3.94Å; L135-V139 WeakPolarHBondContact O-CG2 3.41Å; L135-V139 PolarHBondContact O-N 2.89Å |
| 136 | T | 98.3 | Very high | 97.2 | Very high | 1 Ų | 1 | 36.9 Ų | 36.9 | 1% | 0.006 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -59.8 | -49.1 | 176.6 | -60.5 | 0 | 0 | 0 | 0 | 111.1 | D130 D134 H140 V153 L164 M167 | D130-T136 WeakPolarHBondContact OD2-CB 3.43Å; D130-T136 PolarHBondContact OD2-N 3.26Å; D130-T136 PolarHBondContact OD2-OG1 3.06Å; D134-T136 VanDerWaalsContact C-N 3.32Å; D134-T136 PolarHBondContact O-N 2.95Å; T136-H140 PolarHBondContact O-N 3.37Å; T136-H140 PolarHBondContact O-ND1 2.93Å; T136-V153 HydrophobicContact CG2-CG2 4.22Å; T136-V153 WeakPolarHBondContact OG1-CG1 3.48Å; T136-L164 HydrophobicContact CG2-CD2 3.86Å; T136-M167 HydrophobicContact CG2-CE 4.39Å |
| 137 | S | 96.9 | Very high | 96.9 | Very high | 18 Ų | 18 | 36.4 Ų | 36.4 | 13% | 0.126 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -64.4 | -45.4 | 179.5 | -57.2 | 0 | 0 | 0 | 0 | 110.8 | G133 D134 V139 H140 E141 | G133-S137 VanDerWaalsContact O-CB 3.26Å; G133-S137 WeakPolarHBondContact O-CB 3.41Å; G133-S137 PolarHBondContact O-N 3.08Å; G133-S137 PolarHBondContact O-OG 3.08Å; D134-S137 PolarHBondContact O-N 3.43Å; S137-V139 PolarHBondContact O-N 3.28Å; S137-H140 PolarHBondContact O-N 3Å; S137-E141 WeakPolarHBondContact O-CB 3.21Å; S137-E141 WeakPolarHBondContact O-CG 3.25Å; S137-E141 PolarHBondContact O-N 3.12Å |
| 138 | Y | 97.2 | Very high | 96.5 | Very high | 32 Ų | 32 | 43.9 Ų | 43.9 | 13% | 0.125 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -58.2 | -45.9 | 179.6 | -165.3 | -104.2 | 0 | 0 | 0 | 111.8 | F110 I113 E114 L117 D134 L135 R142 Y143 | F110-Y138 AromaticContact CD1-CD2 3.91Å; F110-Y138 HydrophobicContact CD1-CD2 3.91Å; F110-Y138 AromaticContact CD1-CE2 3.97Å; F110-Y138 HydrophobicContact CD1-CE2 3.97Å; F110-Y138 HydrophobicContact CE1-CD2 4.32Å; I113-Y138 HydrophobicContact CG2-CD1 3.92Å; I113-Y138 HydrophobicContact CG2-CE1 4.48Å; I113-Y138 HydrophobicContact CG2-CG 4.24Å; E114-Y138 HydrophobicContact CB-CE1 4.2Å; L117-Y138 HydrophobicContact CD1-CD1 4.37Å; L117-Y138 HydrophobicContact CD1-CE1 4.27Å; D134-Y138 WeakPolarHBondContact O-CB 3.38Å; D134-Y138 PolarHBondContact O-N 3.35Å; L135-Y138 PolarHBondContact O-N 3.05Å; Y138-R142 HydrophobicContact CD2-CG 4.09Å; Y138-R142 HydrophobicContact CE2-CG 3.97Å; Y138-R142 VanDerWaalsContact O-CB 3.28Å; Y138-R142 WeakPolarHBondContact O-CB 3.29Å; Y138-R142 PolarHBondContact O-N 2.82Å; Y138-Y143 HydrophobicContact CD1-CD2 4.27Å; Y138-Y143 HydrophobicContact CD1-CE2 4.03Å; Y138-Y143 HydrophobicContact CE1-CD2 4.14Å; Y138-Y143 AromaticContact CE1-CE2 3.44Å; Y138-Y143 HydrophobicContact CE1-CE2 3.44Å; Y138-Y143 VanDerWaalsContact CE1-CE2 3.44Å |
| 139 | V | 97.9 | Very high | 96.4 | Very high | 0 Ų | 0 | 46.3 Ų | 46.3 | 0% | 0 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -65 | -45.8 | 176.1 | 171.1 | 0 | 0 | 0 | 0 | 111.7 | L117 L125 I128 L135 S137 E141 Y143 L146 A147 I150 | L117-V139 HydrophobicContact CD2-CG2 3.69Å; L125-V139 HydrophobicContact CD1-CG2 4.36Å; I128-V139 HydrophobicContact CD1-CB 4.46Å; I128-V139 HydrophobicContact CD1-CG2 4.33Å; L135-V139 HydrophobicContact CD1-CG2 3.94Å; L135-V139 WeakPolarHBondContact O-CG2 3.41Å; L135-V139 PolarHBondContact O-N 2.89Å; S137-V139 PolarHBondContact O-N 3.28Å; V139-E141 VanDerWaalsContact C-N 3.32Å; V139-E141 PolarHBondContact O-N 2.82Å; V139-Y143 CarbonylContact O-C 3.59Å; V139-Y143 WeakPolarHBondContact O-CA 3.23Å; V139-Y143 PolarHBondContact O-N 3.35Å; V139-L146 HydrophobicContact CG1-CB 4.38Å; V139-A147 HydrophobicContact CG1-CB 4.2Å; V139-I150 HydrophobicContact CG1-CD1 3.77Å |
| 140 | H | 97 | Very high | 96.3 | Very high | 20 Ų | 20 | 46.8 Ų | 46.8 | 9% | 0.093 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -65.4 | -35.1 | -178.5 | -79 | 76.1 | 0 | 0 | 0 | 112.8 | T136 S137 M167 K172 K174 | T136-H140 PolarHBondContact O-N 3.37Å; T136-H140 PolarHBondContact O-ND1 2.93Å; S137-H140 PolarHBondContact O-N 3Å; H140-M167 HydrophobicContact CB-CE 3.71Å; H140-M167 VanDerWaalsContact CD2-CE 3.46Å; H140-M167 WeakPolarHBondContact CD2-CE 3.18Å; H140-K172 PolarHBondContact CD2-O 3.07Å; H140-K174 PolarHBondContact NE2-N 3.07Å; H140-K174 VanDerWaalsContact NE2-N 3.16Å |
| 141 | E | 96 | Very high | 96.2 | Very high | 145 Ų | 145 | 51.5 Ų | 51.5 | 68% | 0.678 | 25% | 0.246 | S | C | * | . | H | α-helix | trans | -88.9 | -44.3 | -175.7 | -67.3 | 176.8 | -174.5 | 0 | 0 | 113 | S137 V139 | S137-E141 WeakPolarHBondContact O-CB 3.21Å; S137-E141 WeakPolarHBondContact O-CG 3.25Å; S137-E141 PolarHBondContact O-N 3.12Å; V139-E141 VanDerWaalsContact C-N 3.32Å; V139-E141 PolarHBondContact O-N 2.82Å |
| 142 | R | 96.7 | Very high | 96.3 | Very high | 174 Ų | 174 | 51 Ų | 51 | 66% | 0.657 | 24% | 0.243 | S | C | * | . | H | α-helix | trans | -98.1 | -30.5 | -172.8 | -58.1 | -62.4 | -171.5 | 124.4 | 2 | 113.5 | Y138 P144 | Y138-R142 HydrophobicContact CD2-CG 4.09Å; Y138-R142 HydrophobicContact CE2-CG 3.97Å; Y138-R142 VanDerWaalsContact O-CB 3.28Å; Y138-R142 WeakPolarHBondContact O-CB 3.29Å; Y138-R142 PolarHBondContact O-N 2.82Å; R142-P144 WeakPolarHBondContact O-CD 2.96Å |
| 143 | Y | 96.7 | Very high | 96.5 | Very high | 67 Ų | 67 | 51 Ų | 51 | 26% | 0.263 | 24% | 0.243 | S | C | . | . | trans | -127.8 | 53.2 | -177.6 | -55.9 | -94.1 | 0 | 0 | 0 | 112.2 | E114 L117 Y138 V139 K145 L146 | E114-Y143 VanDerWaalsContact CD-OH 3.28Å; E114-Y143 PolarHBondContact OE1-OH 3.16Å; L117-Y143 HydrophobicContact CD1-CD1 4.43Å; L117-Y143 HydrophobicContact CD1-CD2 3.68Å; L117-Y143 HydrophobicContact CD1-CE1 4.42Å; L117-Y143 HydrophobicContact CD1-CE2 3.73Å; L117-Y143 HydrophobicContact CD1-CG 4.09Å; Y138-Y143 HydrophobicContact CD1-CD2 4.27Å; Y138-Y143 HydrophobicContact CD1-CE2 4.03Å; Y138-Y143 HydrophobicContact CE1-CD2 4.14Å; Y138-Y143 AromaticContact CE1-CE2 3.44Å; Y138-Y143 HydrophobicContact CE1-CE2 3.44Å; Y138-Y143 VanDerWaalsContact CE1-CE2 3.44Å; V139-Y143 CarbonylContact O-C 3.59Å; V139-Y143 WeakPolarHBondContact O-CA 3.23Å; V139-Y143 PolarHBondContact O-N 3.35Å; Y143-K145 PolarHBondContact O-N 3.24Å; Y143-L146 HydrophobicContact CD1-CD1 4.19Å; Y143-L146 HydrophobicContact CG-CD1 4.13Å; Y143-L146 WeakPolarHBondContact O-CB 3.27Å; Y143-L146 PolarHBondContact O-N 3.39Å | ||
| 144 | P | 95.4 | Very high | 96.6 | Very high | 53 Ų | 53 | 51 Ų | 51 | 34% | 0.344 | 24% | 0.243 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -60.6 | -19 | -171 | 24.2 | -35.7 | 0 | 0 | 0 | 114.6 | R142 K174 | R142-P144 WeakPolarHBondContact O-CD 2.96Å; P144-K174 PolarHBondContact O-NZ 3.46Å |
| 145 | K | 95.5 | Very high | 96.6 | Very high | 176 Ų | 176 | 49.6 Ų | 49.6 | 77% | 0.765 | 24% | 0.235 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -74 | -33.8 | 173.3 | -67.5 | -174 | 177.8 | -178.5 | 0 | 112.7 | Y143 A147 E148 | Y143-K145 PolarHBondContact O-N 3.24Å; K145-A147 VanDerWaalsContact C-N 3.28Å; K145-A147 PolarHBondContact O-N 3.48Å; K145-E148 PolarHBondContact O-N 2.67Å |
| 146 | L | 96.2 | Very high | 96.5 | Very high | 36 Ų | 36 | 49.7 Ų | 49.7 | 19% | 0.188 | 24% | 0.236 | C | C | . | . | G | 310 helix | trans | -66.9 | -34.7 | 176.8 | -63.6 | -173 | 0 | 0 | 0 | 111 | L117 P124 L125 V139 Y143 E148 G149 | L117-L146 HydrophobicContact CB-CD1 4.36Å; P124-L146 HydrophobicContact CB-CD2 3.61Å; P124-L146 HydrophobicContact CG-CD2 4.25Å; L125-L146 HydrophobicContact CD2-CB 4.36Å; L125-L146 HydrophobicContact CD2-CD1 4.04Å; V139-L146 HydrophobicContact CG1-CB 4.38Å; Y143-L146 HydrophobicContact CD1-CD1 4.19Å; Y143-L146 HydrophobicContact CG-CD1 4.13Å; Y143-L146 WeakPolarHBondContact O-CB 3.27Å; Y143-L146 PolarHBondContact O-N 3.39Å; L146-E148 PolarHBondContact O-N 2.94Å; L146-E148 VanDerWaalsContact O-N 3.1Å; L146-G149 PolarHBondContact O-N 3.26Å |
| 147 | A | 93.6 | Very high | 96.1 | Very high | 1 Ų | 1 | 50.3 Ų | 50.3 | 1% | 0.008 | 24% | 0.24 | C | C | . | . | G | 310 helix | trans | -55.5 | -28.9 | 178.3 | 0 | 0 | 0 | 0 | 0 | 113.5 | V139 K145 G149 I150 K174 V175 | V139-A147 HydrophobicContact CG1-CB 4.2Å; K145-A147 VanDerWaalsContact C-N 3.28Å; K145-A147 PolarHBondContact O-N 3.48Å; A147-G149 VanDerWaalsContact C-N 3.27Å; A147-G149 PolarHBondContact O-N 3.07Å; A147-I150 PolarHBondContact O-N 2.88Å; A147-K174 HydrophobicContact CB-CB 4.41Å; A147-K174 HydrophobicContact CB-CD 4.02Å; A147-V175 WeakPolarHBondContact O-CG1 3.48Å |
| 148 | E | 90.4 | Very high | 95.7 | Very high | 157 Ų | 157 | 52.3 Ų | 52.3 | 73% | 0.734 | 25% | 0.251 | S | S | * | . | G | 310 helix | trans | -67.5 | -26 | 178.4 | -63.1 | 173 | -166.1 | 0 | 0 | 113 | K145 L146 | K145-E148 PolarHBondContact O-N 2.67Å; L146-E148 PolarHBondContact O-N 2.94Å; L146-E148 VanDerWaalsContact O-N 3.1Å |
| 149 | G | 94.8 | Very high | 95.3 | Very high | 51 Ų | 51 | 52 Ų | 52 | 53% | 0.526 | 25% | 0.253 | S | S | . | . | G | 310 helix | trans | -92.6 | -3.4 | 178.2 | 0 | 0 | 0 | 0 | 0 | 114.3 | N126 L146 A147 | N126-G149 WeakPolarHBondContact CB-O 3.43Å; L146-G149 PolarHBondContact O-N 3.26Å; A147-G149 VanDerWaalsContact C-N 3.27Å; A147-G149 PolarHBondContact O-N 3.07Å |
| 150 | I | 97.8 | Very high | 95.1 | Very high | 11 Ų | 11 | 52 Ų | 52 | 6% | 0.056 | 25% | 0.253 | C | S | . | . | trans | -88.5 | 123.1 | -177.1 | -64.2 | 174.8 | 0 | 0 | 0 | 109.4 | L125 N126 I128 V139 A147 V175 | L125-I150 HydrophobicContact CD1-CD1 3.93Å; L125-I150 HydrophobicContact CD2-CD1 4.24Å; L125-I150 HydrophobicContact CG-CD1 3.9Å; L125-I150 HydrophobicContact CG-CG1 4.2Å; N126-I150 WeakPolarHBondContact O-CA 3.49Å; I128-I150 HydrophobicContact CD1-CD1 3.71Å; I128-I150 HydrophobicContact CD1-CG2 4.45Å; I128-I150 HydrophobicContact CG1-CD1 4.11Å; I128-I150 HydrophobicContact CG1-CG2 4.36Å; V139-I150 HydrophobicContact CG1-CD1 3.77Å; A147-I150 PolarHBondContact O-N 2.88Å; I150-V175 HydrophobicContact CB-CG1 3.99Å; I150-V175 HydrophobicContact CG2-CG1 4.06Å; I150-V175 WeakPolarHBondContact O-CG1 3.49Å | ||
| 151 | R | 97.1 | Very high | 95 | Very high | 99 Ų | 99 | 51.3 Ų | 51.3 | 37% | 0.374 | 25% | 0.25 | S | C | . | . | trans | -78.8 | -27.2 | -177.6 | -175.5 | 174.5 | -73.5 | 172 | 3.1 | 112.6 | N126 M127 P176 L372 W373 A376 | N126-R151 PolarHBondContact O-N 2.89Å; M127-R151 HydrophobicContact SD-CB 3.83Å; M127-R151 HydrophobicContact SD-CG 4.46Å; R151-P176 WeakPolarHBondContact O-CG 3.5Å; R151-L372 VanDerWaalsContact CD-O 3.23Å; R151-L372 WeakPolarHBondContact CD-O 3.36Å; R151-L372 WeakPolarHBondContact CG-O 3.42Å; R151-W373 HydrophobicContact CB-CE3 4.22Å; R151-W373 HydrophobicContact CB-CZ3 4.26Å; R151-W373 WeakPolarHBondContact CD-O 3.42Å; R151-W373 HydrophobicContact CG-CE3 4.47Å; R151-W373 PolarHBondContact NH1-O 3.37Å; R151-A376 HydrophobicContact CG-CB 4.4Å | ||
| 152 | G | 98 | Very high | 94.9 | Very high | 0 Ų | 0 | 50.3 Ų | 50.3 | 0% | 0 | 25% | 0.245 | C | C | . | . | trans | 179.5 | 170.8 | 173.3 | 0 | 0 | 0 | 0 | 0 | 114.9 | I128 P176 | I128-G152 PolarHBondContact N-O 3.28Å; I128-G152 VanDerWaalsContact N-O 3.07Å; G152-P176 WeakPolarHBondContact CA-O 3.46Å | ||
| 153 | V | 98.4 | Very high | 94.8 | Very high | 0 Ų | 0 | 43.6 Ų | 43.6 | 0% | 0 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.8 | 138.7 | 176.1 | 172.3 | 0 | 0 | 0 | 0 | 108.7 | I128 T136 E155 L164 V175 P176 A177 F178 L372 | I128-V153 HydrophobicContact CB-CB 4.37Å; I128-V153 HydrophobicContact CB-CG1 4.49Å; I128-V153 HydrophobicContact CB-CG2 3.8Å; I128-V153 HydrophobicContact CD1-CG2 4.06Å; I128-V153 HydrophobicContact CG1-CG2 4.45Å; I128-V153 HydrophobicContact CG2-CB 4.42Å; I128-V153 HydrophobicContact CG2-CG1 4.01Å; I128-V153 HydrophobicContact CG2-CG2 4.04Å; I128-V153 WeakPolarHBondContact O-CA 3.48Å; T136-V153 HydrophobicContact CG2-CG2 4.22Å; T136-V153 WeakPolarHBondContact OG1-CG1 3.48Å; V153-E155 HydrophobicContact CG1-CB 4.47Å; V153-L164 HydrophobicContact CG1-CD1 4.46Å; V153-L164 HydrophobicContact CG1-CD2 4.5Å; V153-V175 HydrophobicContact CB-CG2 4.45Å; V153-V175 HydrophobicContact CG2-CG2 3.54Å; V153-P176 PolarHBondContact N-O 3.01Å; V153-A177 HydrophobicContact CB-CB 4.09Å; V153-A177 CarbonylContact O-C 3.6Å; V153-A177 WeakPolarHBondContact O-CA 3.31Å; V153-F178 PolarHBondContact O-N 3.41Å; V153-L372 VanDerWaalsContact O-CD1 3.31Å; V153-L372 WeakPolarHBondContact O-CD1 3.44Å |
| 154 | S | 98.7 | Very high | 94.9 | Very high | 0 Ų | 0 | 40.5 Ų | 40.5 | 0% | 0 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.1 | 123.7 | 161.2 | 58.5 | 0 | 0 | 0 | 0 | 109.7 | I128 D130 Q365 Q369 | I128-S154 PolarHBondContact O-N 3.44Å; I128-S154 VanDerWaalsContact O-N 3.07Å; D130-S154 PolarHBondContact N-O 3.45Å; S154-Q365 PolarHBondContact OG-OE1 3.39Å; S154-Q369 PolarHBondContact OG-NE2 2.96Å |
| 155 | E | 98.4 | Very high | 95 | Very high | 0 Ų | 0 | 42.9 Ų | 42.9 | 0% | 0 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.8 | 126.8 | -172.2 | 168.5 | 58.3 | -126.9 | 0 | 0 | 111.3 | D130 D131 G132 G133 V153 T157 G160 V161 L164 F178 V180 | D130-E155 WeakPolarHBondContact CB-OE2 3.25Å; D130-E155 WeakPolarHBondContact O-CA 3.44Å; D131-E155 WeakPolarHBondContact CA-OE1 3.27Å; G132-E155 PolarHBondContact N-OE1 2.97Å; G132-E155 PolarHBondContact N-OE2 3.22Å; G133-E155 WeakPolarHBondContact CA-OE2 3.37Å; G133-E155 PolarHBondContact N-OE2 3.46Å; V153-E155 HydrophobicContact CG1-CB 4.47Å; E155-T157 PolarHBondContact OE1-N 2.96Å; E155-T157 PolarHBondContact OE1-OG1 3.45Å; E155-G160 VanDerWaalsContact CD-CA 3.48Å; E155-G160 VanDerWaalsContact CG-C 3.48Å; E155-V161 HydrophobicContact CB-CG2 4.46Å; E155-V161 HydrophobicContact CG-CG2 3.87Å; E155-L164 HydrophobicContact CB-CD1 3.49Å; E155-L164 VanDerWaalsContact CB-CD1 3.49Å; E155-L164 HydrophobicContact CG-CD1 3.92Å; E155-F178 PolarHBondContact N-O 3.38Å; E155-V180 WeakPolarHBondContact O-CB 3.45Å; E155-V180 PolarHBondContact O-N 3.1Å |
| 156 | E | 95 | Very high | 95 | Very high | 2 Ų | 2 | 41.3 Ų | 41.3 | 1% | 0.009 | 21% | 0.206 | C | C | . | . | trans | -80.8 | -32.8 | -170.8 | -168.2 | 60.7 | -137.2 | 0 | 0 | 114.3 | L53 D130 D131 N181 K186 S361 Q365 | L53-E156 HydrophobicContact CD1-CB 4.46Å; L53-E156 HydrophobicContact CD1-CG 4.5Å; D130-E156 PolarHBondContact O-N 2.95Å; D131-E156 HydrophobicContact CB-CB 4.15Å; E156-N181 WeakPolarHBondContact O-CA 3.38Å; E156-N181 VanDerWaalsContact O-CB 3.22Å; E156-N181 WeakPolarHBondContact O-CB 3.22Å; E156-N181 PolarHBondContact O-OD1 3.3Å; E156-K186 WeakPolarHBondContact O-CE 3.37Å; E156-K186 PolarHBondContact O-NZ 3.24Å; E156-K186 WeakPolarHBondContact OE1-CE 3.36Å; E156-K186 VanDerWaalsContact OE1-CG 3.23Å; E156-K186 WeakPolarHBondContact OE1-CG 3.41Å; E156-S361 VanDerWaalsContact OE1-CB 3.25Å; E156-S361 WeakPolarHBondContact OE1-CB 3.21Å; E156-Q365 VanDerWaalsContact OE2-CD 3.25Å; E156-Q365 WeakPolarHBondContact OE2-CG 3.16Å; E156-Q365 PolarHBondContact OE2-NE2 3.32Å | ||
| 157 | T | 91.3 | Very high | 95.1 | Very high | 15 Ų | 15 | 40.6 Ų | 40.6 | 9% | 0.092 | 20% | 0.201 | C | C | . | . | S | Bend | trans | -112.7 | 151.7 | -162.9 | 66.2 | 0 | 0 | 0 | 0 | 114.2 | D131 G132 E155 T159 G160 V161 | D131-T157 HydrophobicContact CB-CG2 4.45Å; D131-T157 VanDerWaalsContact CG-CG2 3.45Å; D131-T157 WeakPolarHBondContact OD1-CG2 3.34Å; G132-T157 WeakPolarHBondContact CA-OG1 3.44Å; G132-T157 PolarHBondContact N-OG1 2.77Å; E155-T157 PolarHBondContact OE1-N 2.96Å; E155-T157 PolarHBondContact OE1-OG1 3.45Å; T157-T159 PolarHBondContact O-N 3.49Å; T157-G160 PolarHBondContact O-N 3.29Å; T157-G160 PolarHBondContact OG1-N 3.29Å; T157-G160 VanDerWaalsContact OG1-N 3.14Å; T157-V161 WeakPolarHBondContact O-CB 3.35Å; T157-V161 VanDerWaalsContact O-CG2 3.26Å; T157-V161 WeakPolarHBondContact O-CG2 3.5Å; T157-V161 PolarHBondContact O-N 2.92Å |
| 158 | T | 87.9 | Confident | 95.3 | Very high | 59 Ų | 59 | 44 Ų | 44 | 36% | 0.362 | 22% | 0.217 | S | C | . | . | H | α-helix | trans | -49.9 | -43.2 | 173 | -48.8 | 0 | 0 | 0 | 0 | 111.9 | V161 H162 N181 | T158-V161 PolarHBondContact O-N 3.39Å; T158-H162 VanDerWaalsContact O-CG 3.29Å; T158-H162 PolarHBondContact O-N 3.03Å; T158-N181 VanDerWaalsContact N-CG 3.28Å; T158-N181 PolarHBondContact N-OD1 2.97Å; T158-N181 PolarHBondContact OG1-ND2 3.12Å; T158-N181 VanDerWaalsContact OG1-ND2 3.11Å; T158-N181 PolarHBondContact OG1-OD1 3.44Å |
| 159 | T | 89 | Confident | 95.6 | Very high | 27 Ų | 27 | 45.3 Ų | 45.3 | 17% | 0.166 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -71.5 | -44.2 | -176.1 | -55.9 | 0 | 0 | 0 | 0 | 112.5 | T157 V161 H162 K163 H301 F302 | T157-T159 PolarHBondContact O-N 3.49Å; T159-V161 VanDerWaalsContact C-N 3.32Å; T159-V161 PolarHBondContact O-N 3.25Å; T159-H162 PolarHBondContact O-N 3.45Å; T159-K163 PolarHBondContact O-N 3.43Å; T159-H301 WeakPolarHBondContact OG1-CB 3.36Å; T159-F302 HydrophobicContact CG2-CD2 3.7Å; T159-F302 HydrophobicContact CG2-CE2 3.19Å; T159-F302 HydrophobicContact CG2-CZ 4Å |
| 160 | G | 93.4 | Very high | 95.7 | Very high | 0 Ų | 0 | 47.1 Ų | 47.1 | 0% | 0 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -64.1 | -38.7 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112 | E155 T157 H162 K163 L164 | E155-G160 VanDerWaalsContact CD-CA 3.48Å; E155-G160 VanDerWaalsContact CG-C 3.48Å; T157-G160 PolarHBondContact O-N 3.29Å; T157-G160 PolarHBondContact OG1-N 3.29Å; T157-G160 VanDerWaalsContact OG1-N 3.14Å; G160-H162 PolarHBondContact O-N 3.18Å; G160-K163 WeakPolarHBondContact O-CB 3.41Å; G160-K163 PolarHBondContact O-N 3.45Å; G160-K163 VanDerWaalsContact O-N 3.13Å; G160-L164 WeakPolarHBondContact O-CG 3.46Å; G160-L164 PolarHBondContact O-N 3.34Å |
| 161 | V | 95.5 | Very high | 95.6 | Very high | 4 Ų | 4 | 53.7 Ų | 53.7 | 2% | 0.024 | 25% | 0.25 | C | S | . | . | H | α-helix | trans | -61.3 | -43.7 | 173.5 | 171.1 | 0 | 0 | 0 | 0 | 111.2 | E155 T157 T158 T159 K163 L164 M165 N179 N181 | E155-V161 HydrophobicContact CB-CG2 4.46Å; E155-V161 HydrophobicContact CG-CG2 3.87Å; T157-V161 WeakPolarHBondContact O-CB 3.35Å; T157-V161 VanDerWaalsContact O-CG2 3.26Å; T157-V161 WeakPolarHBondContact O-CG2 3.5Å; T157-V161 PolarHBondContact O-N 2.92Å; T158-V161 PolarHBondContact O-N 3.39Å; T159-V161 VanDerWaalsContact C-N 3.32Å; T159-V161 PolarHBondContact O-N 3.25Å; V161-K163 VanDerWaalsContact C-N 3.29Å; V161-K163 PolarHBondContact O-N 2.98Å; V161-L164 WeakPolarHBondContact O-CB 3.45Å; V161-L164 PolarHBondContact O-N 3.27Å; V161-M165 HydrophobicContact CG1-CG 4.19Å; V161-M165 WeakPolarHBondContact O-CB 3.29Å; V161-M165 VanDerWaalsContact O-CG 3.27Å; V161-M165 WeakPolarHBondContact O-CG 3.27Å; V161-M165 PolarHBondContact O-N 2.7Å; V161-N179 HydrophobicContact CG1-CB 4.16Å; V161-N179 WeakPolarHBondContact CG1-ND2 3.4Å; V161-N179 HydrophobicContact CG2-CB 3.93Å; V161-N179 VanDerWaalsContact CG2-OD1 3.26Å; V161-N179 WeakPolarHBondContact CG2-OD1 3.45Å; V161-N181 HydrophobicContact CG2-CB 4.01Å |
| 162 | H | 93.3 | Very high | 95.6 | Very high | 125 Ų | 125 | 54.9 Ų | 54.9 | 58% | 0.579 | 26% | 0.258 | S | S | * | . | H | α-helix | trans | -59.4 | -39.8 | 174.3 | -73.1 | 171.8 | 0 | 0 | 0 | 112.2 | T158 T159 G160 R166 | T158-H162 VanDerWaalsContact O-CG 3.29Å; T158-H162 PolarHBondContact O-N 3.03Å; T159-H162 PolarHBondContact O-N 3.45Å; G160-H162 PolarHBondContact O-N 3.18Å; H162-R166 WeakPolarHBondContact O-CB 3.47Å; H162-R166 PolarHBondContact O-N 2.67Å |
| 163 | K | 95.1 | Very high | 95.6 | Very high | 33 Ų | 33 | 55.3 Ų | 55.3 | 14% | 0.143 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -61.7 | -47.1 | 173.1 | -69.8 | 180 | -176.9 | 172 | 0 | 111.1 | G132 D134 T159 G160 V161 M165 R166 M167 | G132-K163 WeakPolarHBondContact O-CD 3.25Å; G132-K163 WeakPolarHBondContact O-CE 3.39Å; G132-K163 PolarHBondContact O-NZ 3.28Å; D134-K163 IonicContact OD1-NZ 3.68Å; D134-K163 PolarHBondContact OD1-NZ 2.96Å; T159-K163 PolarHBondContact O-N 3.43Å; G160-K163 WeakPolarHBondContact O-CB 3.41Å; G160-K163 PolarHBondContact O-N 3.45Å; G160-K163 VanDerWaalsContact O-N 3.13Å; V161-K163 VanDerWaalsContact C-N 3.29Å; V161-K163 PolarHBondContact O-N 2.98Å; K163-M165 PolarHBondContact O-N 3.31Å; K163-R166 PolarHBondContact O-N 3.47Å; K163-M167 VanDerWaalsContact O-CG 3.3Å; K163-M167 WeakPolarHBondContact O-CG 3.47Å; K163-M167 PolarHBondContact O-N 3.35Å |
| 164 | L | 98 | Very high | 95.4 | Very high | 2 Ų | 2 | 59.7 Ų | 59.7 | 1% | 0.01 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -59.2 | -46.6 | 177.2 | -73.1 | 173.3 | 0 | 0 | 0 | 112.3 | T136 V153 E155 G160 V161 R166 M167 H168 L173 A177 V383 | T136-L164 HydrophobicContact CG2-CD2 3.86Å; V153-L164 HydrophobicContact CG1-CD1 4.46Å; V153-L164 HydrophobicContact CG1-CD2 4.5Å; E155-L164 HydrophobicContact CB-CD1 3.49Å; E155-L164 VanDerWaalsContact CB-CD1 3.49Å; E155-L164 HydrophobicContact CG-CD1 3.92Å; G160-L164 WeakPolarHBondContact O-CG 3.46Å; G160-L164 PolarHBondContact O-N 3.34Å; V161-L164 WeakPolarHBondContact O-CB 3.45Å; V161-L164 PolarHBondContact O-N 3.27Å; L164-R166 VanDerWaalsContact C-N 3.32Å; L164-R166 PolarHBondContact O-N 2.85Å; L164-M167 PolarHBondContact O-N 3.08Å; L164-H168 WeakPolarHBondContact O-CB 3.34Å; L164-H168 PolarHBondContact O-N 3.46Å; L164-L173 HydrophobicContact CD2-CD1 3.77Å; L164-A177 HydrophobicContact CD1-CB 3.79Å; L164-A177 HydrophobicContact CD2-CB 4.08Å; L164-A177 HydrophobicContact CG-CB 4.49Å; L164-V383 HydrophobicContact CB-CG2 3.82Å |
| 165 | M | 97 | Very high | 95.3 | Very high | 103 Ų | 103 | 59.8 Ų | 59.8 | 51% | 0.507 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -61.4 | -41.3 | 177.9 | -70.2 | -67.2 | -85.7 | 0 | 0 | 111.5 | V161 K163 H168 K169 V383 | V161-M165 HydrophobicContact CG1-CG 4.19Å; V161-M165 WeakPolarHBondContact O-CB 3.29Å; V161-M165 VanDerWaalsContact O-CG 3.27Å; V161-M165 WeakPolarHBondContact O-CG 3.27Å; V161-M165 PolarHBondContact O-N 2.7Å; K163-M165 PolarHBondContact O-N 3.31Å; M165-H168 PolarHBondContact O-N 3.38Å; M165-K169 WeakPolarHBondContact O-CB 3.43Å; M165-K169 PolarHBondContact O-N 3.36Å; M165-V383 HydrophobicContact CG-CB 4.47Å; M165-V383 HydrophobicContact CG-CG1 4.43Å; M165-V383 HydrophobicContact CG-CG2 4.25Å; M165-V383 HydrophobicContact SD-CB 3.5Å; M165-V383 VanDerWaalsContact SD-CB 3.5Å; M165-V383 HydrophobicContact SD-CG1 3.87Å; M165-V383 HydrophobicContact SD-CG2 3.66Å |
| 166 | R | 97 | Very high | 95.3 | Very high | 143 Ų | 143 | 60.8 Ų | 60.8 | 54% | 0.54 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -63.1 | -49 | 173.7 | -177.3 | -179.5 | 67.5 | -169.5 | 2.3 | 111.4 | H162 K163 L164 H168 K169 E170 | H162-R166 WeakPolarHBondContact O-CB 3.47Å; H162-R166 PolarHBondContact O-N 2.67Å; K163-R166 PolarHBondContact O-N 3.47Å; L164-R166 VanDerWaalsContact C-N 3.32Å; L164-R166 PolarHBondContact O-N 2.85Å; R166-H168 VanDerWaalsContact C-N 3.27Å; R166-H168 PolarHBondContact O-N 3.3Å; R166-K169 PolarHBondContact O-N 3.11Å; R166-E170 HydrophobicContact CG-CG 4.49Å; R166-E170 VanDerWaalsContact CG-OE1 3.28Å; R166-E170 WeakPolarHBondContact CG-OE1 3.41Å; R166-E170 WeakPolarHBondContact O-CB 3.41Å; R166-E170 WeakPolarHBondContact O-CG 3.45Å; R166-E170 PolarHBondContact O-N 3.27Å |
| 167 | M | 97.1 | Very high | 95.4 | Very high | 20 Ų | 20 | 60.7 Ų | 60.7 | 10% | 0.099 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -58.4 | -40.1 | 177.5 | -71.2 | 171.5 | 70.6 | 0 | 0 | 111.6 | T136 H140 K163 L164 E170 N171 K172 L173 | T136-M167 HydrophobicContact CG2-CE 4.39Å; H140-M167 HydrophobicContact CB-CE 3.71Å; H140-M167 VanDerWaalsContact CD2-CE 3.46Å; H140-M167 WeakPolarHBondContact CD2-CE 3.18Å; K163-M167 VanDerWaalsContact O-CG 3.3Å; K163-M167 WeakPolarHBondContact O-CG 3.47Å; K163-M167 PolarHBondContact O-N 3.35Å; L164-M167 PolarHBondContact O-N 3.08Å; M167-E170 PolarHBondContact O-N 3.19Å; M167-N171 PolarHBondContact O-N 2.93Å; M167-K172 HydrophobicContact CB-CB 4.41Å; M167-K172 WeakPolarHBondContact O-CA 3.47Å; M167-K172 PolarHBondContact O-N 3.29Å; M167-L173 HydrophobicContact CB-CB 3.94Å; M167-L173 HydrophobicContact CE-CD1 4.45Å; M167-L173 PolarHBondContact O-N 3.35Å; M167-L173 VanDerWaalsContact O-N 3.07Å |
| 168 | H | 97.5 | Very high | 95.8 | Very high | 72 Ų | 72 | 60 Ų | 60 | 33% | 0.333 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -66.6 | -47.5 | 176.9 | -174.3 | 54.4 | 0 | 0 | 0 | 112 | L164 M165 R166 E170 N171 L173 I381 V383 | L164-H168 WeakPolarHBondContact O-CB 3.34Å; L164-H168 PolarHBondContact O-N 3.46Å; M165-H168 PolarHBondContact O-N 3.38Å; R166-H168 VanDerWaalsContact C-N 3.27Å; R166-H168 PolarHBondContact O-N 3.3Å; H168-E170 PolarHBondContact O-N 2.91Å; H168-N171 PolarHBondContact O-N 3.18Å; H168-L173 HydrophobicContact CB-CB 4.16Å; H168-L173 HydrophobicContact CB-CD2 3.94Å; H168-I381 PolarHBondContact CE1-O 2.88Å; H168-V383 HydrophobicContact CB-CG2 4.49Å |
| 169 | K | 97.3 | Very high | 96.3 | Very high | 185 Ų | 185 | 57.5 Ų | 57.5 | 80% | 0.804 | 27% | 0.266 | S | S | * | . | H | α-helix | trans | -58.4 | -34.1 | 175.8 | -176.8 | 178 | 178.2 | -178.4 | 0 | 112.6 | M165 R166 N171 | M165-K169 WeakPolarHBondContact O-CB 3.43Å; M165-K169 PolarHBondContact O-N 3.36Å; R166-K169 PolarHBondContact O-N 3.11Å; K169-N171 VanDerWaalsContact C-N 3.3Å |
| 170 | E | 97.3 | Very high | 96.7 | Very high | 90 Ų | 90 | 56.2 Ų | 56.2 | 42% | 0.421 | 26% | 0.258 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -84.4 | 4.5 | 176.4 | -68.1 | 177.7 | -164.9 | 0 | 0 | 113.8 | R166 M167 H168 K172 | R166-E170 HydrophobicContact CG-CG 4.49Å; R166-E170 VanDerWaalsContact CG-OE1 3.28Å; R166-E170 WeakPolarHBondContact CG-OE1 3.41Å; R166-E170 WeakPolarHBondContact O-CB 3.41Å; R166-E170 WeakPolarHBondContact O-CG 3.45Å; R166-E170 PolarHBondContact O-N 3.27Å; M167-E170 PolarHBondContact O-N 3.19Å; H168-E170 PolarHBondContact O-N 2.91Å; E170-K172 HydrophobicContact CB-CD 4.17Å; E170-K172 HydrophobicContact CB-CG 4.14Å; E170-K172 PolarHBondContact O-N 2.83Å; E170-K172 WeakPolarHBondContact OE2-CD 3.37Å; E170-K172 WeakPolarHBondContact OE2-CE 3.45Å; E170-K172 IonicContact OE2-NZ 2.73Å; E170-K172 PolarHBondContact OE2-NZ 2.99Å |
| 171 | N | 96.1 | Very high | 96.7 | Very high | 149 Ų | 149 | 56.4 Ų | 56.4 | 80% | 0.797 | 26% | 0.259 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 55.4 | 27.5 | -173.9 | -59.8 | -63.1 | 0 | 0 | 0 | 114.3 | M167 H168 K169 | M167-N171 PolarHBondContact O-N 2.93Å; H168-N171 PolarHBondContact O-N 3.18Å; K169-N171 VanDerWaalsContact C-N 3.3Å |
| 172 | K | 96.2 | Very high | 96.7 | Very high | 124 Ų | 124 | 60 Ų | 60 | 54% | 0.539 | 28% | 0.279 | S | S | . | . | trans | -97.2 | -24 | 177.6 | -69.2 | 178.9 | -177.5 | 162.3 | 0 | 113.4 | H140 M167 E170 K174 | H140-K172 PolarHBondContact CD2-O 3.07Å; M167-K172 HydrophobicContact CB-CB 4.41Å; M167-K172 WeakPolarHBondContact O-CA 3.47Å; M167-K172 PolarHBondContact O-N 3.29Å; E170-K172 HydrophobicContact CB-CD 4.17Å; E170-K172 HydrophobicContact CB-CG 4.14Å; E170-K172 PolarHBondContact O-N 2.83Å; E170-K172 WeakPolarHBondContact OE2-CD 3.37Å; E170-K172 WeakPolarHBondContact OE2-CE 3.45Å; E170-K172 IonicContact OE2-NZ 2.73Å; E170-K172 PolarHBondContact OE2-NZ 2.99Å; K172-K174 PolarHBondContact O-N 3.07Å | ||
| 173 | L | 97.2 | Very high | 96.9 | Very high | 8 Ų | 8 | 54 Ų | 54 | 4% | 0.042 | 25% | 0.251 | C | S | . | . | trans | -67.5 | 122.4 | 175.4 | -177.1 | 64.4 | 0 | 0 | 0 | 109.1 | L164 M167 H168 V175 I381 V383 | L164-L173 HydrophobicContact CD2-CD1 3.77Å; M167-L173 HydrophobicContact CB-CB 3.94Å; M167-L173 HydrophobicContact CE-CD1 4.45Å; M167-L173 PolarHBondContact O-N 3.35Å; M167-L173 VanDerWaalsContact O-N 3.07Å; H168-L173 HydrophobicContact CB-CB 4.16Å; H168-L173 HydrophobicContact CB-CD2 3.94Å; L173-V175 HydrophobicContact CD1-CG2 4.1Å; L173-V175 WeakPolarHBondContact CD2-O 3.26Å; L173-V175 VanDerWaalsContact CG-O 3.31Å; L173-V175 WeakPolarHBondContact CG-O 3.35Å; L173-I381 HydrophobicContact CG-CG2 4.45Å; L173-I381 WeakPolarHBondContact O-CG2 3.03Å; L173-V383 HydrophobicContact CD2-CG2 4.13Å | ||
| 174 | K | 95.4 | Very high | 97 | Very high | 92 Ų | 92 | 54.1 Ų | 54.1 | 40% | 0.4 | 25% | 0.254 | S | S | . | . | trans | -102.6 | -7.5 | -175.5 | -65.8 | -175.8 | 177.2 | -174 | 0 | 114.3 | H140 P144 A147 K172 I381 | H140-K174 PolarHBondContact NE2-N 3.07Å; H140-K174 VanDerWaalsContact NE2-N 3.16Å; P144-K174 PolarHBondContact O-NZ 3.46Å; A147-K174 HydrophobicContact CB-CB 4.41Å; A147-K174 HydrophobicContact CB-CD 4.02Å; K172-K174 PolarHBondContact O-N 3.07Å; K174-I381 WeakPolarHBondContact O-CD1 3.49Å | ||
| 175 | V | 96.6 | Very high | 97 | Very high | 2 Ų | 2 | 54.1 Ų | 54.1 | 1% | 0.012 | 25% | 0.254 | C | S | . | . | S | Bend | trans | -131.6 | 150.1 | -171.6 | -60.6 | 0 | 0 | 0 | 0 | 110.2 | A147 I150 V153 L173 | A147-V175 WeakPolarHBondContact O-CG1 3.48Å; I150-V175 HydrophobicContact CB-CG1 3.99Å; I150-V175 HydrophobicContact CG2-CG1 4.06Å; I150-V175 WeakPolarHBondContact O-CG1 3.49Å; V153-V175 HydrophobicContact CB-CG2 4.45Å; V153-V175 HydrophobicContact CG2-CG2 3.54Å; L173-V175 HydrophobicContact CD1-CG2 4.1Å; L173-V175 WeakPolarHBondContact CD2-O 3.26Å; L173-V175 VanDerWaalsContact CG-O 3.31Å; L173-V175 WeakPolarHBondContact CG-O 3.35Å |
| 176 | P | 97.8 | Very high | 97.1 | Very high | 21 Ų | 21 | 49.5 Ų | 49.5 | 14% | 0.136 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -65.3 | 140.7 | 168.3 | 27.8 | -32.2 | 0 | 0 | 0 | 109.9 | R151 G152 V153 L372 | R151-P176 WeakPolarHBondContact O-CG 3.5Å; G152-P176 WeakPolarHBondContact CA-O 3.46Å; V153-P176 PolarHBondContact N-O 3.01Å; P176-L372 HydrophobicContact CB-CD2 4.21Å; P176-L372 HydrophobicContact CG-CD2 4.2Å |
| 177 | A | 98.4 | Very high | 97 | Very high | 0 Ų | 0 | 42.9 Ų | 42.9 | 0% | 0 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.1 | 138.9 | -179.9 | 0 | 0 | 0 | 0 | 0 | 111.7 | V153 L164 G382 V383 H384 | V153-A177 HydrophobicContact CB-CB 4.09Å; V153-A177 CarbonylContact O-C 3.6Å; V153-A177 WeakPolarHBondContact O-CA 3.31Å; L164-A177 HydrophobicContact CD1-CB 3.79Å; L164-A177 HydrophobicContact CD2-CB 4.08Å; L164-A177 HydrophobicContact CG-CB 4.49Å; A177-G382 PolarHBondContact N-O 3.02Å; A177-V383 WeakPolarHBondContact O-CA 3.28Å; A177-H384 PolarHBondContact O-N 2.71Å |
| 178 | F | 98.3 | Very high | 97 | Very high | 0 Ų | 0 | 44.9 Ų | 44.9 | 0% | 0 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.2 | 125.8 | 163.5 | -89.3 | -61 | 0 | 0 | 0 | 110.4 | V153 E155 V180 A368 E371 L372 Y379 H384 V385 L386 | V153-F178 PolarHBondContact O-N 3.41Å; E155-F178 PolarHBondContact N-O 3.38Å; F178-V180 HydrophobicContact CB-CG2 4.48Å; F178-V180 PolarHBondContact O-N 3.16Å; F178-A368 HydrophobicContact CB-CB 3.88Å; F178-A368 HydrophobicContact CD2-CB 3.75Å; F178-A368 HydrophobicContact CG-CB 4Å; F178-E371 HydrophobicContact CE2-CB 3.86Å; F178-E371 HydrophobicContact CE2-CG 3.85Å; F178-E371 HydrophobicContact CZ-CB 4.34Å; F178-E371 HydrophobicContact CZ-CG 3.88Å; F178-L372 HydrophobicContact CD2-CD1 3.74Å; F178-L372 HydrophobicContact CD2-CD2 3.99Å; F178-L372 HydrophobicContact CD2-CG 3.54Å; F178-L372 HydrophobicContact CE2-CD1 4.49Å; F178-L372 HydrophobicContact CE2-CD2 4.12Å; F178-L372 HydrophobicContact CE2-CG 3.81Å; F178-Y379 HydrophobicContact CE1-CE1 4.12Å; F178-Y379 HydrophobicContact CE2-CE2 4.36Å; F178-Y379 HydrophobicContact CZ-CD1 4.17Å; F178-Y379 AromaticContact CZ-CE1 3.61Å; F178-Y379 HydrophobicContact CZ-CE1 3.61Å; F178-Y379 HydrophobicContact CZ-CE2 4.07Å; F178-Y379 AromaticContact CZ-CZ 3.56Å; F178-H384 CarbonylContact C-O 3.6Å; F178-H384 WeakPolarHBondContact CA-O 3.24Å; F178-H384 HydrophobicContact CD1-CB 3.97Å; F178-H384 WeakPolarHBondContact CD1-O 3.34Å; F178-H384 HydrophobicContact CE1-CB 3.88Å; F178-V385 WeakPolarHBondContact CE1-O 3.36Å; F178-L386 HydrophobicContact CD1-CD2 4.34Å; F178-L386 HydrophobicContact CD1-CG 4.18Å; F178-L386 HydrophobicContact CE1-CD2 4.13Å; F178-L386 HydrophobicContact CE1-CG 4.31Å; F178-L386 HydrophobicContact CE2-CD2 4.39Å; F178-L386 HydrophobicContact CZ-CD2 4.15Å |
| 179 | N | 97.8 | Very high | 97 | Very high | 7 Ų | 7 | 44.8 Ų | 44.8 | 4% | 0.037 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -77.9 | 97 | 160.4 | 172.3 | -2.1 | 0 | 0 | 0 | 107.8 | V161 N181 D182 V383 H384 V385 | V161-N179 HydrophobicContact CG1-CB 4.16Å; V161-N179 WeakPolarHBondContact CG1-ND2 3.4Å; V161-N179 HydrophobicContact CG2-CB 3.93Å; V161-N179 VanDerWaalsContact CG2-OD1 3.26Å; V161-N179 WeakPolarHBondContact CG2-OD1 3.45Å; N179-N181 WeakPolarHBondContact OD1-CB 3.14Å; N179-N181 PolarHBondContact OD1-N 3.49Å; N179-D182 WeakPolarHBondContact ND2-CB 3.01Å; N179-D182 PolarHBondContact ND2-OD2 2.72Å; N179-D182 WeakPolarHBondContact OD1-CB 3.38Å; N179-D182 PolarHBondContact OD1-N 3.5Å; N179-V383 HydrophobicContact CB-CG1 3.78Å; N179-H384 WeakPolarHBondContact CB-O 3.41Å; N179-H384 PolarHBondContact N-O 3.26Å; N179-V385 HydrophobicContact CB-CG2 4.36Å |
| 180 | V | 97.8 | Very high | 97 | Very high | 0 Ų | 0 | 36.4 Ų | 36.4 | 0% | 0 | 18% | 0.178 | C | C | . | . | trans | -77.5 | -29.7 | 174.3 | 171.7 | 0 | 0 | 0 | 0 | 110.3 | E155 F178 D182 S183 K186 N364 Q365 A368 | E155-V180 WeakPolarHBondContact O-CB 3.45Å; E155-V180 PolarHBondContact O-N 3.1Å; F178-V180 HydrophobicContact CB-CG2 4.48Å; F178-V180 PolarHBondContact O-N 3.16Å; V180-D182 VanDerWaalsContact C-N 3.27Å; V180-D182 PolarHBondContact O-N 2.59Å; V180-S183 WeakPolarHBondContact O-CB 3.49Å; V180-S183 PolarHBondContact O-N 2.98Å; V180-S183 VanDerWaalsContact O-N 3.11Å; V180-K186 HydrophobicContact CG1-CG 4.24Å; V180-K186 VanDerWaalsContact O-CB 3.26Å; V180-K186 WeakPolarHBondContact O-CB 3.27Å; V180-N364 HydrophobicContact CG1-CB 3.54Å; V180-Q365 HydrophobicContact CG1-CG 4.24Å; V180-A368 HydrophobicContact CG2-CB 3.92Å | ||
| 181 | N | 94.7 | Very high | 96.9 | Very high | 4 Ų | 4 | 33 Ų | 33 | 2% | 0.021 | 16% | 0.162 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -52.8 | -44.4 | 179.6 | -173.6 | 73.4 | 0 | 0 | 0 | 113.1 | E156 T158 V161 N179 S183 K186 S187 N191 | E156-N181 WeakPolarHBondContact O-CA 3.38Å; E156-N181 VanDerWaalsContact O-CB 3.22Å; E156-N181 WeakPolarHBondContact O-CB 3.22Å; E156-N181 PolarHBondContact O-OD1 3.3Å; T158-N181 VanDerWaalsContact N-CG 3.28Å; T158-N181 PolarHBondContact N-OD1 2.97Å; T158-N181 PolarHBondContact OG1-ND2 3.12Å; T158-N181 VanDerWaalsContact OG1-ND2 3.11Å; T158-N181 PolarHBondContact OG1-OD1 3.44Å; V161-N181 HydrophobicContact CG2-CB 4.01Å; N179-N181 WeakPolarHBondContact OD1-CB 3.14Å; N179-N181 PolarHBondContact OD1-N 3.49Å; N181-S183 VanDerWaalsContact C-N 3.31Å; N181-S183 PolarHBondContact O-N 3.31Å; N181-K186 PolarHBondContact OD1-NZ 2.83Å; N181-S187 WeakPolarHBondContact O-CB 3.13Å; N181-S187 PolarHBondContact O-N 3.09Å; N181-S187 PolarHBondContact O-OG 3.17Å; N181-N191 PolarHBondContact OD1-ND2 2.88Å |
| 182 | D | 94.9 | Very high | 97 | Very high | 80 Ų | 80 | 27.2 Ų | 27.2 | 43% | 0.428 | 13% | 0.131 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -88.8 | 4.5 | -174.5 | -65 | -9.5 | 0 | 0 | 0 | 113.4 | N179 V180 V184 V385 | N179-D182 WeakPolarHBondContact ND2-CB 3.01Å; N179-D182 PolarHBondContact ND2-OD2 2.72Å; N179-D182 WeakPolarHBondContact OD1-CB 3.38Å; N179-D182 PolarHBondContact OD1-N 3.5Å; V180-D182 VanDerWaalsContact C-N 3.27Å; V180-D182 PolarHBondContact O-N 2.59Å; D182-V184 PolarHBondContact O-N 3.02Å; D182-V385 HydrophobicContact CB-CG2 4.39Å |
| 183 | S | 97.2 | Very high | 97.1 | Very high | 0 Ų | 0 | 25.4 Ų | 25.4 | 0% | 0 | 12% | 0.122 | C | C | . | . | S | Bend | trans | -57.2 | 138 | 157.2 | -75.6 | 0 | 0 | 0 | 0 | 109 | V180 N181 T185 K186 S187 N364 | V180-S183 WeakPolarHBondContact O-CB 3.49Å; V180-S183 PolarHBondContact O-N 2.98Å; V180-S183 VanDerWaalsContact O-N 3.11Å; N181-S183 VanDerWaalsContact C-N 3.31Å; N181-S183 PolarHBondContact O-N 3.31Å; S183-T185 VanDerWaalsContact C-N 3.32Å; S183-T185 PolarHBondContact O-N 3.31Å; S183-K186 WeakPolarHBondContact O-CB 3.48Å; S183-K186 PolarHBondContact O-N 2.91Å; S183-S187 PolarHBondContact O-N 3.5Å; S183-S187 PolarHBondContact O-OG 2.9Å; S183-N364 WeakPolarHBondContact CB-OD1 3.42Å; S183-N364 PolarHBondContact OG-OD1 2.96Å |
| 184 | V | 97.7 | Very high | 97.1 | Very high | 35 Ų | 35 | 25.1 Ų | 25.1 | 21% | 0.212 | 12% | 0.121 | C | C | . | . | H | α-helix | trans | -56.6 | -51.6 | 178.9 | 155.8 | 0 | 0 | 0 | 0 | 109.9 | D182 K186 K188 F189 D391 Y432 | D182-V184 PolarHBondContact O-N 3.02Å; V184-K186 PolarHBondContact O-N 3.02Å; V184-K188 PolarHBondContact O-N 3.06Å; V184-F189 WeakPolarHBondContact O-CD2 3.45Å; V184-D391 WeakPolarHBondContact CA-OD2 3.22Å; V184-D391 WeakPolarHBondContact CB-OD2 3.5Å; V184-D391 PolarHBondContact N-OD1 3.34Å; V184-D391 PolarHBondContact N-OD2 3.12Å; V184-Y432 HydrophobicContact CB-CD1 3.62Å; V184-Y432 HydrophobicContact CB-CE1 3.22Å; V184-Y432 HydrophobicContact CG1-CD1 3.01Å; V184-Y432 HydrophobicContact CG1-CE1 3.15Å; V184-Y432 HydrophobicContact CG1-CG 4.12Å; V184-Y432 HydrophobicContact CG2-CD1 3.68Å; V184-Y432 HydrophobicContact CG2-CE1 3.37Å; V184-Y432 HydrophobicContact CG2-CE2 4.33Å; V184-Y432 HydrophobicContact CG2-CG 4.3Å; V184-Y432 VanDerWaalsContact O-CE1 3.25Å; V184-Y432 WeakPolarHBondContact O-CE1 3.42Å |
| 185 | T | 98.3 | Very high | 97.2 | Very high | 2 Ų | 2 | 20.9 Ų | 20.9 | 1% | 0.012 | 10% | 0.102 | C | C | . | . | H | α-helix | trans | -67.3 | -4.5 | 180 | 51.6 | 0 | 0 | 0 | 0 | 114.7 | S183 F189 T360 N364 D391 V394 A395 | S183-T185 VanDerWaalsContact C-N 3.32Å; S183-T185 PolarHBondContact O-N 3.31Å; T185-F189 HydrophobicContact CG2-CE2 4.37Å; T185-T360 WeakPolarHBondContact O-CB 3.31Å; T185-T360 PolarHBondContact O-OG1 3.01Å; T185-N364 PolarHBondContact OG1-ND2 2.73Å; T185-D391 VanDerWaalsContact CB-OD1 3.3Å; T185-D391 WeakPolarHBondContact CB-OD1 3.42Å; T185-D391 VanDerWaalsContact CG2-O 3.28Å; T185-D391 WeakPolarHBondContact CG2-O 3.17Å; T185-D391 VanDerWaalsContact CG2-OD1 3.3Å; T185-D391 WeakPolarHBondContact CG2-OD1 3.45Å; T185-D391 PolarHBondContact N-OD1 2.86Å; T185-D391 PolarHBondContact OG1-OD1 2.86Å; T185-V394 HydrophobicContact CG2-CB 4.09Å; T185-V394 HydrophobicContact CG2-CG1 4.05Å; T185-V394 WeakPolarHBondContact OG1-CB 3.4Å; T185-V394 WeakPolarHBondContact OG1-CG1 3.41Å; T185-A395 HydrophobicContact CG2-CB 3.71Å |
| 186 | K | 98.1 | Very high | 97.3 | Very high | 6 Ų | 6 | 24.3 Ų | 24.3 | 3% | 0.026 | 12% | 0.115 | C | C | . | . | H | α-helix | trans | -97 | -72.7 | 167.7 | -164.2 | -66.7 | -176.1 | 165.8 | 0 | 109.8 | E156 V180 N181 S183 V184 K188 F189 D190 N191 | E156-K186 WeakPolarHBondContact O-CE 3.37Å; E156-K186 PolarHBondContact O-NZ 3.24Å; E156-K186 WeakPolarHBondContact OE1-CE 3.36Å; E156-K186 VanDerWaalsContact OE1-CG 3.23Å; E156-K186 WeakPolarHBondContact OE1-CG 3.41Å; V180-K186 HydrophobicContact CG1-CG 4.24Å; V180-K186 VanDerWaalsContact O-CB 3.26Å; V180-K186 WeakPolarHBondContact O-CB 3.27Å; N181-K186 PolarHBondContact OD1-NZ 2.83Å; S183-K186 WeakPolarHBondContact O-CB 3.48Å; S183-K186 PolarHBondContact O-N 2.91Å; V184-K186 PolarHBondContact O-N 3.02Å; K186-K188 PolarHBondContact O-N 3.44Å; K186-F189 PolarHBondContact O-N 3.39Å; K186-D190 HydrophobicContact CD-CB 4.07Å; K186-D190 VanDerWaalsContact O-CB 3.25Å; K186-D190 WeakPolarHBondContact O-CB 3.25Å; K186-D190 PolarHBondContact O-N 3.27Å; K186-N191 PolarHBondContact NZ-OD1 3.04Å |
| 187 | S | 95 | Very high | 97.4 | Very high | 4 Ų | 4 | 29 Ų | 29 | 3% | 0.028 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -61.7 | -39 | -166.6 | 32.5 | 0 | 0 | 0 | 0 | 114.8 | N181 S183 F189 N191 Y432 | N181-S187 WeakPolarHBondContact O-CB 3.13Å; N181-S187 PolarHBondContact O-N 3.09Å; N181-S187 PolarHBondContact O-OG 3.17Å; S183-S187 PolarHBondContact O-N 3.5Å; S183-S187 PolarHBondContact O-OG 2.9Å; S187-F189 VanDerWaalsContact C-N 3.31Å; S187-N191 WeakPolarHBondContact O-CB 3.29Å; S187-Y432 PolarHBondContact OG-OH 2.74Å |
| 188 | K | 97.4 | Very high | 97.4 | Very high | 62 Ų | 62 | 29.1 Ų | 29.1 | 27% | 0.27 | 14% | 0.136 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -89.5 | 4.1 | 177.8 | -62.4 | -61.9 | 179.1 | -152.3 | 0 | 114.4 | V184 K186 Y193 D223 Y432 | V184-K188 PolarHBondContact O-N 3.06Å; K186-K188 PolarHBondContact O-N 3.44Å; K188-Y193 WeakPolarHBondContact O-CE2 3.01Å; K188-D223 WeakPolarHBondContact CD-OD1 3.49Å; K188-D223 IonicContact NZ-OD1 2.92Å; K188-D223 PolarHBondContact NZ-OD1 2.95Å; K188-D223 IonicContact NZ-OD2 3.36Å; K188-D223 PolarHBondContact NZ-OD2 3.41Å; K188-Y432 HydrophobicContact CB-CD1 3.58Å; K188-Y432 HydrophobicContact CB-CE1 3.34Å; K188-Y432 HydrophobicContact CB-CG 4.24Å; K188-Y432 HydrophobicContact CD-CD2 4.08Å; K188-Y432 HydrophobicContact CD-CE1 4.27Å; K188-Y432 HydrophobicContact CD-CE2 3.92Å; K188-Y432 VanDerWaalsContact CE-CD2 3.44Å; K188-Y432 HydrophobicContact CG-CD1 3.27Å; K188-Y432 HydrophobicContact CG-CD2 3.46Å; K188-Y432 VanDerWaalsContact CG-CD2 3.46Å; K188-Y432 HydrophobicContact CG-CE1 2.92Å; K188-Y432 HydrophobicContact CG-CE2 3.31Å; K188-Y432 HydrophobicContact CG-CG 3.55Å |
| 189 | F | 98 | Very high | 97.3 | Very high | 70 Ų | 70 | 29.2 Ų | 29.2 | 31% | 0.307 | 14% | 0.137 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -114.6 | -65 | 176.4 | -70.8 | -99.4 | 0 | 0 | 0 | 110.2 | V184 T185 K186 S187 Y193 G194 V357 | V184-F189 WeakPolarHBondContact O-CD2 3.45Å; T185-F189 HydrophobicContact CG2-CE2 4.37Å; K186-F189 PolarHBondContact O-N 3.39Å; S187-F189 VanDerWaalsContact C-N 3.31Å; F189-Y193 HydrophobicContact CB-CD2 4.16Å; F189-Y193 HydrophobicContact CB-CE2 4.49Å; F189-Y193 AromaticContact CD1-CD2 3.87Å; F189-Y193 HydrophobicContact CD1-CD2 3.87Å; F189-Y193 AromaticContact CD1-CE2 3.7Å; F189-Y193 HydrophobicContact CD1-CE2 3.7Å; F189-Y193 HydrophobicContact CE1-CE2 4.1Å; F189-Y193 HydrophobicContact CG-CD2 4.23Å; F189-Y193 HydrophobicContact CG-CE2 4.11Å; F189-Y193 WeakPolarHBondContact O-CA 3.26Å; F189-Y193 VanDerWaalsContact O-CB 3.29Å; F189-Y193 WeakPolarHBondContact O-CB 3.48Å; F189-Y193 PolarHBondContact O-N 2.96Å; F189-G194 PolarHBondContact O-N 3.26Å; F189-V357 VanDerWaalsContact C-CG2 3.41Å; F189-V357 HydrophobicContact CB-CG2 4.03Å; F189-V357 WeakPolarHBondContact O-CG2 2.9Å |
| 190 | D | 97.5 | Very high | 97.4 | Very high | 9 Ų | 9 | 29.9 Ų | 29.9 | 5% | 0.048 | 14% | 0.14 | C | C | . | . | I | π-helix | trans | -59.4 | -62.3 | -179.4 | -174.3 | -17.6 | 0 | 0 | 0 | 111.5 | K186 L192 G194 H353 V357 S361 | K186-D190 HydrophobicContact CD-CB 4.07Å; K186-D190 VanDerWaalsContact O-CB 3.25Å; K186-D190 WeakPolarHBondContact O-CB 3.25Å; K186-D190 PolarHBondContact O-N 3.27Å; D190-L192 PolarHBondContact O-N 2.9Å; D190-L192 VanDerWaalsContact O-N 3.12Å; D190-G194 VanDerWaalsContact O-CA 3.26Å; D190-G194 WeakPolarHBondContact O-CA 3.31Å; D190-G194 PolarHBondContact O-N 3.32Å; D190-H353 PolarHBondContact O-CE1 3.37Å; D190-H353 VanDerWaalsContact O-CE1 3.3Å; D190-H353 PolarHBondContact O-ND1 3.44Å; D190-H353 IonicContact OD1-CE1 3.45Å; D190-H353 PolarHBondContact OD1-CE1 2.95Å; D190-H353 IonicContact OD1-CG 3.85Å; D190-H353 IonicContact OD1-ND1 2.72Å; D190-H353 PolarHBondContact OD1-ND1 3.45Å; D190-V357 HydrophobicContact CB-CG2 4.45Å; D190-S361 WeakPolarHBondContact CB-OG 3.3Å; D190-S361 VanDerWaalsContact CG-OG 3.24Å; D190-S361 WeakPolarHBondContact OD2-CB 3.35Å; D190-S361 PolarHBondContact OD2-OG 2.98Å |
| 191 | N | 94.7 | Very high | 97.4 | Very high | 18 Ų | 18 | 32.2 Ų | 32.2 | 10% | 0.096 | 15% | 0.152 | C | C | . | . | I | π-helix | trans | -63.9 | -27 | -174.6 | -55 | -11.5 | 0 | 0 | 0 | 111.9 | N181 K186 S187 I195 D223 V224 | N181-N191 PolarHBondContact OD1-ND2 2.88Å; K186-N191 PolarHBondContact NZ-OD1 3.04Å; S187-N191 WeakPolarHBondContact O-CB 3.29Å; N191-I195 WeakPolarHBondContact O-CG2 3.18Å; N191-D223 HydrophobicContact CB-CB 3.88Å; N191-D223 CarbonylContact O-C 3.56Å; N191-V224 HydrophobicContact CB-CG2 3.96Å; N191-V224 VanDerWaalsContact O-CA 3.31Å; N191-V224 WeakPolarHBondContact O-CA 3.48Å |
| 192 | L | 97.5 | Very high | 97.6 | Very high | 27 Ų | 27 | 32 Ų | 32 | 14% | 0.141 | 15% | 0.151 | C | C | . | . | I | π-helix | trans | -93.3 | -61.8 | -177.3 | 178.5 | 61.9 | 0 | 0 | 0 | 112.8 | D190 R196 K226 G227 | D190-L192 PolarHBondContact O-N 2.9Å; D190-L192 VanDerWaalsContact O-N 3.12Å; L192-R196 VanDerWaalsContact O-CB 3.29Å; L192-R196 WeakPolarHBondContact O-CB 3.49Å; L192-R196 PolarHBondContact O-N 3.05Å; L192-K226 HydrophobicContact CD1-CB 3.74Å; L192-G227 WeakPolarHBondContact O-CA 3.46Å |
| 193 | Y | 98.5 | Very high | 97.7 | Very high | 86 Ų | 86 | 28.2 Ų | 28.2 | 34% | 0.337 | 13% | 0.131 | S | C | . | . | I | π-helix | trans | -80.5 | -35.7 | -174.7 | -52.6 | -49.9 | 0 | 0 | 0 | 112 | K188 F189 R196 E197 | K188-Y193 WeakPolarHBondContact O-CE2 3.01Å; F189-Y193 HydrophobicContact CB-CD2 4.16Å; F189-Y193 HydrophobicContact CB-CE2 4.49Å; F189-Y193 AromaticContact CD1-CD2 3.87Å; F189-Y193 HydrophobicContact CD1-CD2 3.87Å; F189-Y193 AromaticContact CD1-CE2 3.7Å; F189-Y193 HydrophobicContact CD1-CE2 3.7Å; F189-Y193 HydrophobicContact CE1-CE2 4.1Å; F189-Y193 HydrophobicContact CG-CD2 4.23Å; F189-Y193 HydrophobicContact CG-CE2 4.11Å; F189-Y193 WeakPolarHBondContact O-CA 3.26Å; F189-Y193 VanDerWaalsContact O-CB 3.29Å; F189-Y193 WeakPolarHBondContact O-CB 3.48Å; F189-Y193 PolarHBondContact O-N 2.96Å; Y193-R196 PolarHBondContact O-N 3.2Å; Y193-E197 PolarHBondContact O-N 3.5Å |
| 194 | G | 98.3 | Very high | 97.8 | Very high | 2 Ų | 2 | 31.1 Ų | 31.1 | 2% | 0.021 | 14% | 0.144 | C | C | . | . | I | π-helix | trans | -64.5 | -45.5 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | F189 D190 E197 S198 H353 | F189-G194 PolarHBondContact O-N 3.26Å; D190-G194 VanDerWaalsContact O-CA 3.26Å; D190-G194 WeakPolarHBondContact O-CA 3.31Å; D190-G194 PolarHBondContact O-N 3.32Å; G194-E197 PolarHBondContact O-N 3.25Å; G194-S198 WeakPolarHBondContact O-CB 3.34Å; G194-S198 PolarHBondContact O-N 3.2Å; G194-S198 PolarHBondContact O-OG 2.67Å; G194-H353 WeakPolarHBondContact CA-ND1 3.48Å; G194-H353 PolarHBondContact O-CD2 2.81Å |
| 195 | I | 97.8 | Very high | 97.8 | Very high | 3 Ų | 3 | 34.9 Ų | 34.9 | 2% | 0.015 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -66.9 | -40.9 | 176.8 | -157.7 | 68.2 | 0 | 0 | 0 | 111.1 | N191 E197 S198 F199 V224 V299 N346 H353 | N191-I195 WeakPolarHBondContact O-CG2 3.18Å; I195-E197 CarbonylContact O-C 3.56Å; I195-E197 PolarHBondContact O-N 2.99Å; I195-S198 WeakPolarHBondContact CA-OG 3.48Å; I195-S198 PolarHBondContact O-N 3.16Å; I195-F199 HydrophobicContact CD1-CB 3.95Å; I195-F199 HydrophobicContact CG1-CB 4.09Å; I195-F199 HydrophobicContact CG1-CD1 4.13Å; I195-F199 WeakPolarHBondContact O-CD1 3.44Å; I195-F199 PolarHBondContact O-N 3.33Å; I195-F199 VanDerWaalsContact O-N 3.1Å; I195-V224 HydrophobicContact CB-CG1 4.33Å; I195-V224 HydrophobicContact CD1-CG1 4.49Å; I195-V224 HydrophobicContact CG1-CG1 3.9Å; I195-V224 HydrophobicContact CG2-CG1 4.21Å; I195-V224 WeakPolarHBondContact CG2-O 3.48Å; I195-V299 HydrophobicContact CD1-CB 3.79Å; I195-V299 HydrophobicContact CD1-CG1 4.1Å; I195-V299 HydrophobicContact CD1-CG2 3.96Å; I195-V299 HydrophobicContact CG1-CG2 4.16Å; I195-N346 HydrophobicContact CD1-CB 4.12Å; I195-H353 PolarHBondContact N-CE1 3.36Å; I195-H353 PolarHBondContact N-NE2 3.34Å |
| 196 | R | 98.7 | Very high | 97.9 | Very high | 75 Ų | 75 | 35.1 Ų | 35.1 | 28% | 0.283 | 16% | 0.156 | S | C | . | . | H | α-helix | trans | -51.6 | -29.2 | -179.4 | -175 | 175.6 | 70.2 | -171.4 | 0.1 | 112.9 | L192 Y193 Q230 A231 | L192-R196 VanDerWaalsContact O-CB 3.29Å; L192-R196 WeakPolarHBondContact O-CB 3.49Å; L192-R196 PolarHBondContact O-N 3.05Å; Y193-R196 PolarHBondContact O-N 3.2Å; R196-Q230 HydrophobicContact CG-CB 4.47Å; R196-A231 HydrophobicContact CG-CB 3.94Å; R196-A231 WeakPolarHBondContact O-CB 3.46Å |
| 197 | E | 98.7 | Very high | 97.9 | Very high | 118 Ų | 118 | 36.4 Ų | 36.4 | 55% | 0.551 | 17% | 0.165 | S | C | * | . | H | α-helix | trans | -91.2 | -49 | 172.6 | -64.5 | -176.8 | -140.7 | 0 | 0 | 112.2 | Y193 G194 I195 D201 | Y193-E197 PolarHBondContact O-N 3.5Å; G194-E197 PolarHBondContact O-N 3.25Å; I195-E197 CarbonylContact O-C 3.56Å; I195-E197 PolarHBondContact O-N 2.99Å; E197-D201 PolarHBondContact O-N 3.4Å |
| 198 | S | 98.5 | Very high | 98 | Very high | 4 Ų | 4 | 42.2 Ų | 42.2 | 3% | 0.028 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -79.5 | -29.8 | -162.5 | 65.7 | 0 | 0 | 0 | 0 | 116.3 | G194 I195 D201 G202 N346 G352 H353 | G194-S198 WeakPolarHBondContact O-CB 3.34Å; G194-S198 PolarHBondContact O-N 3.2Å; G194-S198 PolarHBondContact O-OG 2.67Å; I195-S198 WeakPolarHBondContact CA-OG 3.48Å; I195-S198 PolarHBondContact O-N 3.16Å; S198-D201 WeakPolarHBondContact O-CB 3.43Å; S198-D201 PolarHBondContact O-N 3.41Å; S198-G202 PolarHBondContact O-N 3.45Å; S198-N346 WeakPolarHBondContact OG-CB 3.18Å; S198-N346 PolarHBondContact OG-ND2 2.92Å; S198-G352 WeakPolarHBondContact CB-O 3.43Å; S198-H353 PolarHBondContact OG-CD2 2.89Å; S198-H353 PolarHBondContact OG-NE2 3.25Å |
| 199 | F | 97.2 | Very high | 98.1 | Very high | 1 Ų | 1 | 40.7 Ų | 40.7 | 0% | 0.004 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -72.7 | -35.7 | 178.6 | 88.8 | -85.4 | 0 | 0 | 0 | 111.2 | I195 D201 G202 I203 C228 A231 L232 V299 N346 | I195-F199 HydrophobicContact CD1-CB 3.95Å; I195-F199 HydrophobicContact CG1-CB 4.09Å; I195-F199 HydrophobicContact CG1-CD1 4.13Å; I195-F199 WeakPolarHBondContact O-CD1 3.44Å; I195-F199 PolarHBondContact O-N 3.33Å; I195-F199 VanDerWaalsContact O-N 3.1Å; F199-D201 VanDerWaalsContact C-N 3.31Å; F199-G202 PolarHBondContact O-N 3.28Å; F199-I203 HydrophobicContact CD2-CD1 3.69Å; F199-I203 HydrophobicContact CD2-CG1 4.49Å; F199-I203 HydrophobicContact CE2-CD1 3.92Å; F199-I203 WeakPolarHBondContact O-CG1 3.28Å; F199-I203 PolarHBondContact O-N 2.89Å; F199-C228 HydrophobicContact CD1-CB 4.23Å; F199-C228 VanDerWaalsContact CD1-SG 3.55Å; F199-C228 HydrophobicContact CE1-CB 4.01Å; F199-C228 HydrophobicContact CZ-CB 4.23Å; F199-C228 VanDerWaalsContact CZ-O 3.26Å; F199-C228 WeakPolarHBondContact CZ-O 3.33Å; F199-A231 HydrophobicContact CE1-CB 3.46Å; F199-A231 VanDerWaalsContact CE1-CB 3.46Å; F199-A231 HydrophobicContact CZ-CB 3.77Å; F199-L232 HydrophobicContact CE2-CD1 4.2Å; F199-L232 HydrophobicContact CE2-CD2 4.23Å; F199-L232 HydrophobicContact CE2-CG 3.89Å; F199-L232 HydrophobicContact CZ-CD1 4.24Å; F199-L232 HydrophobicContact CZ-CD2 4.48Å; F199-L232 HydrophobicContact CZ-CG 3.76Å; F199-V299 HydrophobicContact CB-CG1 3.85Å; F199-N346 HydrophobicContact CB-CB 4.48Å |
| 200 | I | 98 | Very high | 98.1 | Very high | 21 Ų | 21 | 43.3 Ų | 43.3 | 11% | 0.108 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -62 | -44.2 | 172.8 | -72.7 | -61.4 | 0 | 0 | 0 | 109.4 | G202 I203 K204 I211 A231 L232 M235 | I200-G202 VanDerWaalsContact C-N 3.34Å; I200-G202 PolarHBondContact O-N 2.88Å; I200-I203 PolarHBondContact O-N 3.14Å; I200-K204 HydrophobicContact CG2-CG 4.1Å; I200-K204 VanDerWaalsContact O-CB 3.29Å; I200-K204 WeakPolarHBondContact O-CB 3.4Å; I200-K204 VanDerWaalsContact O-CG 3.23Å; I200-K204 WeakPolarHBondContact O-CG 3.49Å; I200-K204 PolarHBondContact O-N 3.26Å; I200-I211 HydrophobicContact CD1-CD1 4.48Å; I200-I211 HydrophobicContact CD1-CG1 4.49Å; I200-A231 HydrophobicContact CD1-CB 4.41Å; I200-A231 HydrophobicContact CG1-CB 3.63Å; I200-L232 HydrophobicContact CD1-CD2 4.11Å; I200-L232 HydrophobicContact CD1-CG 4.37Å; I200-M235 HydrophobicContact CD1-SD 4.16Å; I200-M235 HydrophobicContact CG1-SD 4.37Å; I200-M235 HydrophobicContact CG2-SD 3.45Å; I200-M235 WeakPolarHBondContact CG2-SD 3.35Å |
| 201 | D | 98.7 | Very high | 98.2 | Very high | 49 Ų | 49 | 42.9 Ų | 42.9 | 26% | 0.262 | 20% | 0.204 | S | C | . | . | H | α-helix | trans | -56.9 | -47.3 | 174.9 | -172.1 | 20.9 | 0 | 0 | 0 | 111.4 | E197 S198 F199 I203 K204 R205 A350 | E197-D201 PolarHBondContact O-N 3.4Å; S198-D201 WeakPolarHBondContact O-CB 3.43Å; S198-D201 PolarHBondContact O-N 3.41Å; F199-D201 VanDerWaalsContact C-N 3.31Å; D201-I203 PolarHBondContact O-N 3.35Å; D201-K204 PolarHBondContact O-N 3.12Å; D201-R205 WeakPolarHBondContact O-CG 3.25Å; D201-R205 PolarHBondContact O-N 3.18Å; D201-R205 IonicContact OD1-CZ 2.78Å; D201-R205 IonicContact OD1-NE 3.48Å; D201-R205 PolarHBondContact OD1-NE 3.26Å; D201-R205 IonicContact OD1-NH2 3.68Å; D201-R205 IonicContact OD2-CZ 2.74Å; D201-R205 IonicContact OD2-NE 3.26Å; D201-R205 PolarHBondContact OD2-NE 3.45Å; D201-R205 IonicContact OD2-NH2 3.56Å; D201-R205 PolarHBondContact OD2-NH2 2.99Å; D201-A350 HydrophobicContact CB-CB 4.29Å |
| 202 | G | 98.5 | Very high | 98.4 | Very high | 0 Ų | 0 | 43.8 Ų | 43.8 | 0% | 0 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -55.5 | -51.6 | 173.8 | 0 | 0 | 0 | 0 | 0 | 113.5 | S198 F199 I200 K204 A206 C349 | S198-G202 PolarHBondContact O-N 3.45Å; F199-G202 PolarHBondContact O-N 3.28Å; I200-G202 VanDerWaalsContact C-N 3.34Å; I200-G202 PolarHBondContact O-N 2.88Å; G202-K204 VanDerWaalsContact C-N 3.3Å; G202-K204 PolarHBondContact O-N 3.34Å; G202-A206 WeakPolarHBondContact O-CB 3.47Å; G202-A206 PolarHBondContact O-N 3.22Å; G202-C349 WeakPolarHBondContact O-CB 3.49Å |
| 203 | I | 98.4 | Very high | 98.4 | Very high | 1 Ų | 1 | 45.5 Ų | 45.5 | 1% | 0.005 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -60.1 | -42.9 | 177.6 | -70.2 | 174.4 | 0 | 0 | 0 | 110.8 | F199 I200 D201 A206 T207 V209 I211 I271 L339 | F199-I203 HydrophobicContact CD2-CD1 3.69Å; F199-I203 HydrophobicContact CD2-CG1 4.49Å; F199-I203 HydrophobicContact CE2-CD1 3.92Å; F199-I203 WeakPolarHBondContact O-CG1 3.28Å; F199-I203 PolarHBondContact O-N 2.89Å; I200-I203 PolarHBondContact O-N 3.14Å; D201-I203 PolarHBondContact O-N 3.35Å; I203-A206 PolarHBondContact O-N 2.89Å; I203-T207 PolarHBondContact O-N 3.46Å; I203-T207 PolarHBondContact O-OG1 3.44Å; I203-V209 HydrophobicContact CG2-CG1 3.74Å; I203-I211 HydrophobicContact CG2-CD1 4.1Å; I203-I271 HydrophobicContact CD1-CG2 4.19Å; I203-L339 HydrophobicContact CG1-CD1 4.03Å |
| 204 | K | 98.7 | Very high | 98.4 | Very high | 60 Ų | 60 | 44.6 Ų | 44.6 | 26% | 0.261 | 24% | 0.236 | S | C | . | . | H | α-helix | trans | -65.8 | -51.9 | -178.7 | -77 | -65.3 | -164.9 | 173.6 | 0 | 111.9 | I200 D201 G202 A206 T207 D208 V209 | I200-K204 HydrophobicContact CG2-CG 4.1Å; I200-K204 VanDerWaalsContact O-CB 3.29Å; I200-K204 WeakPolarHBondContact O-CB 3.4Å; I200-K204 VanDerWaalsContact O-CG 3.23Å; I200-K204 WeakPolarHBondContact O-CG 3.49Å; I200-K204 PolarHBondContact O-N 3.26Å; D201-K204 PolarHBondContact O-N 3.12Å; G202-K204 VanDerWaalsContact C-N 3.3Å; G202-K204 PolarHBondContact O-N 3.34Å; K204-A206 PolarHBondContact O-N 3.12Å; K204-T207 PolarHBondContact O-N 3.25Å; K204-D208 WeakPolarHBondContact O-CA 3.2Å; K204-D208 PolarHBondContact O-N 2.98Å; K204-V209 WeakPolarHBondContact CE-O 3.49Å; K204-V209 PolarHBondContact NZ-O 2.96Å |
| 205 | R | 98.5 | Very high | 98.5 | Very high | 115 Ų | 115 | 47.9 Ų | 47.9 | 43% | 0.434 | 25% | 0.25 | S | C | . | . | H | α-helix | trans | -62.2 | -31.5 | 177.1 | -65.6 | -172 | -159.2 | -168.3 | 13.3 | 112.3 | D201 K322 C349 T351 | D201-R205 WeakPolarHBondContact O-CG 3.25Å; D201-R205 PolarHBondContact O-N 3.18Å; D201-R205 IonicContact OD1-CZ 2.78Å; D201-R205 IonicContact OD1-NE 3.48Å; D201-R205 PolarHBondContact OD1-NE 3.26Å; D201-R205 IonicContact OD1-NH2 3.68Å; D201-R205 IonicContact OD2-CZ 2.74Å; D201-R205 IonicContact OD2-NE 3.26Å; D201-R205 PolarHBondContact OD2-NE 3.45Å; D201-R205 IonicContact OD2-NH2 3.56Å; D201-R205 PolarHBondContact OD2-NH2 2.99Å; R205-K322 WeakPolarHBondContact O-CE 3.23Å; R205-K322 PolarHBondContact O-NZ 3.3Å; R205-C349 WeakPolarHBondContact CB-O 3.39Å; R205-T351 PolarHBondContact NH2-OG1 3.47Å |
| 206 | A | 98.5 | Very high | 98.5 | Very high | 6 Ų | 6 | 47.8 Ų | 47.8 | 5% | 0.05 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -72.9 | -44.5 | 176.9 | 0 | 0 | 0 | 0 | 0 | 113.1 | G202 I203 K204 K322 V325 L339 C349 | G202-A206 WeakPolarHBondContact O-CB 3.47Å; G202-A206 PolarHBondContact O-N 3.22Å; I203-A206 PolarHBondContact O-N 2.89Å; K204-A206 PolarHBondContact O-N 3.12Å; A206-K322 WeakPolarHBondContact O-CE 3.21Å; A206-K322 PolarHBondContact O-NZ 3.33Å; A206-V325 HydrophobicContact CB-CG2 3.76Å; A206-L339 HydrophobicContact CB-CD1 3.99Å; A206-L339 HydrophobicContact CB-CD2 3.78Å; A206-L339 HydrophobicContact CB-CG 4.48Å; A206-C349 HydrophobicContact CB-CB 4.08Å |
| 207 | T | 98.6 | Very high | 98.5 | Very high | 34 Ų | 34 | 44.2 Ų | 44.2 | 21% | 0.209 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -128.8 | -13.2 | -161.7 | 66.3 | 0 | 0 | 0 | 0 | 115.5 | I203 K204 V209 I295 I337 L339 | I203-T207 PolarHBondContact O-N 3.46Å; I203-T207 PolarHBondContact O-OG1 3.44Å; K204-T207 PolarHBondContact O-N 3.25Å; T207-V209 PolarHBondContact O-N 2.94Å; T207-V209 WeakPolarHBondContact OG1-CB 3.46Å; T207-V209 VanDerWaalsContact OG1-CG1 3.29Å; T207-V209 WeakPolarHBondContact OG1-CG1 3.3Å; T207-V209 PolarHBondContact OG1-N 3.26Å; T207-I295 HydrophobicContact CG2-CD1 3.95Å; T207-I295 HydrophobicContact CG2-CG1 4.32Å; T207-I295 HydrophobicContact CG2-CG2 4.5Å; T207-I337 HydrophobicContact CG2-CG2 4.19Å; T207-L339 HydrophobicContact CG2-CD2 3.84Å |
| 208 | D | 98.5 | Very high | 98.5 | Very high | 126 Ų | 126 | 38.6 Ų | 38.6 | 67% | 0.674 | 21% | 0.209 | S | C | * | . | trans | 52.9 | 15.3 | -172.5 | -65.8 | -73.9 | 0 | 0 | 0 | 114.4 | K204 | K204-D208 WeakPolarHBondContact O-CA 3.2Å; K204-D208 PolarHBondContact O-N 2.98Å | ||
| 209 | V | 98.7 | Very high | 98.6 | Very high | 30 Ų | 30 | 38.4 Ų | 38.4 | 18% | 0.182 | 21% | 0.208 | C | C | . | . | trans | -63.8 | 142.5 | -169.9 | 73 | 0 | 0 | 0 | 0 | 112.2 | I203 K204 T207 I211 I295 | I203-V209 HydrophobicContact CG2-CG1 3.74Å; K204-V209 WeakPolarHBondContact CE-O 3.49Å; K204-V209 PolarHBondContact NZ-O 2.96Å; T207-V209 PolarHBondContact O-N 2.94Å; T207-V209 WeakPolarHBondContact OG1-CB 3.46Å; T207-V209 VanDerWaalsContact OG1-CG1 3.29Å; T207-V209 WeakPolarHBondContact OG1-CG1 3.3Å; T207-V209 PolarHBondContact OG1-N 3.26Å; V209-I211 HydrophobicContact CG1-CD1 3.79Å; V209-I211 PolarHBondContact O-N 3.22Å; V209-I295 HydrophobicContact CB-CD1 3.77Å; V209-I295 HydrophobicContact CG1-CD1 3.65Å; V209-I295 HydrophobicContact CG2-CD1 3.86Å | ||
| 210 | M | 98.8 | Very high | 98.6 | Very high | 124 Ų | 124 | 38.6 Ų | 38.6 | 61% | 0.611 | 21% | 0.211 | S | C | * | . | trans | -72.3 | 116.1 | 166.2 | -175.7 | 171.3 | -175.1 | 0 | 0 | 110.2 | A212 K214 | M210-A212 HydrophobicContact CE-CB 3.66Å; M210-A212 HydrophobicContact CG-CB 4.22Å; M210-K214 WeakPolarHBondContact O-CE 3.41Å; M210-K214 WeakPolarHBondContact O-CG 3.42Å; M210-K214 PolarHBondContact O-NZ 3.27Å | ||
| 211 | I | 98.8 | Very high | 98.7 | Very high | 1 Ų | 1 | 38 Ų | 38 | 1% | 0.005 | 21% | 0.207 | C | C | . | . | trans | -76.2 | -38.8 | 177.2 | -55.9 | -63.6 | 0 | 0 | 0 | 111.3 | I200 I203 V209 G213 K214 L232 M235 A237 I271 | I200-I211 HydrophobicContact CD1-CD1 4.48Å; I200-I211 HydrophobicContact CD1-CG1 4.49Å; I203-I211 HydrophobicContact CG2-CD1 4.1Å; V209-I211 HydrophobicContact CG1-CD1 3.79Å; V209-I211 PolarHBondContact O-N 3.22Å; I211-G213 PolarHBondContact O-N 2.89Å; I211-K214 VanDerWaalsContact O-CB 3.27Å; I211-K214 WeakPolarHBondContact O-CB 3.28Å; I211-K214 WeakPolarHBondContact O-CG 3.44Å; I211-K214 PolarHBondContact O-N 2.93Å; I211-K214 VanDerWaalsContact O-N 3.1Å; I211-L232 HydrophobicContact CG2-CD2 3.87Å; I211-M235 HydrophobicContact CB-CB 3.87Å; I211-M235 HydrophobicContact CB-SD 4.25Å; I211-M235 HydrophobicContact CG1-CE 4.42Å; I211-M235 HydrophobicContact CG1-SD 3.93Å; I211-M235 HydrophobicContact CG2-CB 3.63Å; I211-A237 HydrophobicContact CG2-CB 3.8Å; I211-I271 HydrophobicContact CD1-CD1 3.62Å | ||
| 212 | A | 98.7 | Very high | 98.6 | Very high | 36 Ų | 36 | 37 Ų | 37 | 30% | 0.298 | 21% | 0.209 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -56.7 | 134 | 179.3 | 0 | 0 | 0 | 0 | 0 | 111.7 | M210 K214 M235 | M210-A212 HydrophobicContact CE-CB 3.66Å; M210-A212 HydrophobicContact CG-CB 4.22Å; A212-K214 PolarHBondContact O-N 2.99Å; A212-M235 WeakPolarHBondContact CA-O 3.4Å; A212-M235 VanDerWaalsContact CB-O 3.31Å; A212-M235 WeakPolarHBondContact CB-O 3.45Å; A212-M235 PolarHBondContact N-O 2.87Å |
| 213 | G | 98.4 | Very high | 98.4 | Very high | 64 Ų | 64 | 38.5 Ų | 38.5 | 66% | 0.66 | 22% | 0.217 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 78.3 | -5.1 | -179.2 | 0 | 0 | 0 | 0 | 0 | 115.2 | I211 G236 | I211-G213 PolarHBondContact O-N 2.89Å; G213-G236 PolarHBondContact N-O 2.8Å |
| 214 | K | 98.7 | Very high | 98.4 | Very high | 66 Ų | 66 | 40.1 Ų | 40.1 | 29% | 0.287 | 23% | 0.226 | S | C | . | . | trans | -78.6 | 151 | 175.4 | -60.8 | -73.1 | 177.8 | -70.4 | 0 | 110.9 | M210 I211 A212 A237 R238 S270 I271 | M210-K214 WeakPolarHBondContact O-CE 3.41Å; M210-K214 WeakPolarHBondContact O-CG 3.42Å; M210-K214 PolarHBondContact O-NZ 3.27Å; I211-K214 VanDerWaalsContact O-CB 3.27Å; I211-K214 WeakPolarHBondContact O-CB 3.28Å; I211-K214 WeakPolarHBondContact O-CG 3.44Å; I211-K214 PolarHBondContact O-N 2.93Å; I211-K214 VanDerWaalsContact O-N 3.1Å; A212-K214 PolarHBondContact O-N 2.99Å; K214-A237 CarbonylContact O-C 2.95Å; K214-A237 WeakPolarHBondContact O-CA 3.42Å; K214-R238 PolarHBondContact O-N 3.33Å; K214-S270 VanDerWaalsContact CD-OG 3.28Å; K214-S270 WeakPolarHBondContact CD-OG 3.16Å; K214-I271 HydrophobicContact CB-CD1 4.07Å; K214-I271 HydrophobicContact CG-CD1 4.16Å | ||
| 215 | F | 98.8 | Very high | 98.3 | Very high | 72 Ų | 72 | 37.2 Ų | 37.2 | 32% | 0.316 | 21% | 0.214 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.8 | 125.9 | 163.8 | -65.3 | 3.8 | 0 | 0 | 0 | 107.4 | R238 F240 R268 C269 S270 I271 | F215-R238 WeakPolarHBondContact CA-O 3.43Å; F215-R238 HydrophobicContact CD1-CB 3.74Å; F215-R238 HydrophobicContact CE1-CB 4.2Å; F215-R238 VanDerWaalsContact CE1-NE 3.28Å; F215-F240 HydrophobicContact CB-CD2 4.43Å; F215-F240 HydrophobicContact CB-CE2 3.93Å; F215-F240 HydrophobicContact CD2-CE2 4.03Å; F215-F240 HydrophobicContact CD2-CZ 4.3Å; F215-F240 AromaticContact CG-CE2 3.94Å; F215-F240 HydrophobicContact CG-CE2 3.94Å; F215-R268 WeakPolarHBondContact CD2-O 3.44Å; F215-C269 HydrophobicContact CB-CB 4.4Å; F215-C269 CarbonylContact O-C 3.52Å; F215-C269 WeakPolarHBondContact O-CA 3.48Å; F215-C269 WeakPolarHBondContact O-CB 3.35Å; F215-S270 PolarHBondContact O-N 3.31Å; F215-S270 PolarHBondContact O-OG 3.44Å; F215-I271 PolarHBondContact O-N 3.44Å |
| 216 | A | 98.9 | Very high | 98.4 | Very high | 0 Ų | 0 | 33.6 Ų | 33.6 | 0% | 0 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123 | 132.1 | -175.4 | 0 | 0 | 0 | 0 | 0 | 110.2 | L232 A237 R238 V239 F240 I271 | A216-L232 HydrophobicContact CB-CD1 3.73Å; A216-L232 HydrophobicContact CB-CD2 3.82Å; A216-L232 HydrophobicContact CB-CG 4.23Å; A216-A237 HydrophobicContact CB-CB 4.22Å; A216-R238 PolarHBondContact N-O 2.85Å; A216-V239 CarbonylContact O-C 3.54Å; A216-V239 WeakPolarHBondContact O-CA 3.5Å; A216-F240 PolarHBondContact O-N 2.61Å; A216-I271 CarbonylContact C-O 3.55Å; A216-I271 VanDerWaalsContact CA-O 3.27Å; A216-I271 WeakPolarHBondContact CA-O 3.41Å; A216-I271 HydrophobicContact CB-CB 3.99Å; A216-I271 HydrophobicContact CB-CG2 4.41Å |
| 217 | C | 98.9 | Very high | 98.4 | Very high | 0 Ų | 0 | 33.3 Ų | 33.3 | 0% | 0 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.3 | 120.7 | 177.6 | -173.3 | 0 | 0 | 0 | 0 | 109.8 | F240 C265 C269 I271 F272 V273 | C217-F240 WeakPolarHBondContact CA-O 3.23Å; C217-C265 HydrophobicContact CB-CB 4.05Å; C217-C265 WeakPolarHBondContact SG-CB 3.45Å; C217-C269 HydrophobicContact CB-CB 3.98Å; C217-I271 PolarHBondContact N-O 3.48Å; C217-F272 HydrophobicContact CB-CD1 3.55Å; C217-F272 HydrophobicContact CB-CE1 3.83Å; C217-F272 HydrophobicContact CB-CG 4.38Å; C217-F272 WeakPolarHBondContact O-CA 3.45Å; C217-V273 PolarHBondContact O-N 2.85Å |
| 218 | V | 98.9 | Very high | 98.4 | Very high | 0 Ų | 0 | 31.7 Ų | 31.7 | 0% | 0 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103 | 118 | 172 | -177.5 | 0 | 0 | 0 | 0 | 108.2 | C228 A229 L232 V239 F240 V241 T242 V273 T275 | V218-C228 HydrophobicContact CG1-CB 3.99Å; V218-C228 HydrophobicContact CG2-CB 4.32Å; V218-A229 HydrophobicContact CG2-CB 4.23Å; V218-L232 HydrophobicContact CG2-CD1 3.64Å; V218-V239 HydrophobicContact CG2-CG1 3.85Å; V218-F240 PolarHBondContact N-O 2.76Å; V218-V241 WeakPolarHBondContact O-CA 3.02Å; V218-T242 PolarHBondContact O-N 3.45Å; V218-V273 HydrophobicContact CB-CG1 4.08Å; V218-V273 HydrophobicContact CG1-CG1 4.11Å; V218-V273 HydrophobicContact CG2-CG1 3.68Å; V218-T275 HydrophobicContact CG1-CG2 4.25Å |
| 219 | C | 98.8 | Very high | 98.4 | Very high | 0 Ų | 0 | 25.7 Ų | 25.7 | 0% | 0 | 16% | 0.157 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.8 | 114.1 | -177.9 | -33.6 | 0 | 0 | 0 | 0 | 109.3 | T242 M262 V273 T274 T275 T276 V281 | C219-T242 WeakPolarHBondContact CA-OG1 3.18Å; C219-M262 HydrophobicContact CB-CE 4.04Å; C219-M262 WeakPolarHBondContact SG-CE 3.27Å; C219-V273 PolarHBondContact N-O 2.9Å; C219-V273 PolarHBondContact SG-O 3.07Å; C219-T274 HydrophobicContact CB-CG2 4.18Å; C219-T275 WeakPolarHBondContact O-CA 3.36Å; C219-T275 WeakPolarHBondContact O-CB 3.31Å; C219-T275 PolarHBondContact O-N 3.35Å; C219-T275 PolarHBondContact O-OG1 3.09Å; C219-T276 HydrophobicContact CB-CG2 4.11Å; C219-T276 VanDerWaalsContact O-CG2 3.23Å; C219-T276 WeakPolarHBondContact O-CG2 3.34Å; C219-V281 HydrophobicContact CB-CG1 3.54Å |
| 220 | G | 98.6 | Very high | 98.4 | Very high | 6 Ų | 6 | 28.5 Ų | 28.5 | 6% | 0.062 | 17% | 0.168 | C | C | . | . | trans | 88.3 | 143 | -169.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | G225 T242 T275 | G220-G225 WeakPolarHBondContact O-CA 3.39Å; G220-T242 WeakPolarHBondContact CA-O 3.42Å; G220-T242 PolarHBondContact N-O 3.45Å; G220-T275 PolarHBondContact O-OG1 2.94Å; G220-T275 VanDerWaalsContact O-OG1 3.09Å | ||
| 221 | Y | 98.7 | Very high | 98.4 | Very high | 8 Ų | 8 | 23.2 Ų | 23.2 | 3% | 0.031 | 14% | 0.144 | C | C | . | . | trans | -131.8 | 35.2 | -178 | -156.4 | -109.4 | 0 | 0 | 0 | 112.2 | K226 A229 V241 E243 N248 Q251 A252 Y257 | Y221-K226 HydrophobicContact CD1-CG 3.85Å; Y221-K226 HydrophobicContact CD2-CG 4.35Å; Y221-K226 HydrophobicContact CE1-CD 4.35Å; Y221-K226 HydrophobicContact CE1-CG 3.55Å; Y221-K226 HydrophobicContact CE2-CG 4.1Å; Y221-K226 HydrophobicContact CG-CG 4.24Å; Y221-K226 PolarHBondContact O-NZ 2.96Å; Y221-A229 HydrophobicContact CD2-CB 4.43Å; Y221-A229 HydrophobicContact CE2-CB 3.68Å; Y221-V241 HydrophobicContact CD2-CG1 3.91Å; Y221-V241 HydrophobicContact CD2-CG2 3.78Å; Y221-V241 HydrophobicContact CE2-CG2 4.03Å; Y221-V241 HydrophobicContact CG-CG1 4.03Å; Y221-E243 WeakPolarHBondContact CA-OE1 3.18Å; Y221-E243 PolarHBondContact N-OE1 3.04Å; Y221-N248 WeakPolarHBondContact CD1-O 3.19Å; Y221-Q251 HydrophobicContact CD1-CB 4.4Å; Y221-Q251 HydrophobicContact CE1-CB 4.16Å; Y221-A252 HydrophobicContact CD1-CB 3.66Å; Y221-A252 HydrophobicContact CD2-CB 4.17Å; Y221-A252 HydrophobicContact CE1-CB 3.7Å; Y221-A252 HydrophobicContact CE2-CB 4.19Å; Y221-A252 HydrophobicContact CG-CB 3.91Å; Y221-Y257 HydrophobicContact CE2-CD2 4.11Å; Y221-Y257 HydrophobicContact CE2-CE2 4.2Å; Y221-Y257 AromaticContact CZ-CD2 3.97Å; Y221-Y257 WeakPolarHBondContact OH-CD2 3.48Å; Y221-Y257 WeakPolarHBondContact OH-CE2 3.31Å | ||
| 222 | G | 96.7 | Very high | 98.4 | Very high | 29 Ų | 29 | 23.1 Ų | 23.1 | 30% | 0.299 | 14% | 0.143 | S | C | . | . | S | Bend | trans | -66.8 | -164.2 | 161.9 | 0 | 0 | 0 | 0 | 0 | 112 | V224 G225 K226 | G222-V224 VanDerWaalsContact C-N 3.31Å; G222-V224 PolarHBondContact O-N 2.85Å; G222-G225 PolarHBondContact O-N 3.07Å; G222-K226 WeakPolarHBondContact O-CB 3.3Å; G222-K226 VanDerWaalsContact O-CG 3.27Å; G222-K226 WeakPolarHBondContact O-CG 3.38Å; G222-K226 PolarHBondContact O-N 3.35Å |
| 223 | D | 95.9 | Very high | 98.4 | Very high | 31 Ų | 31 | 27.5 Ų | 27.5 | 17% | 0.166 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -61.5 | -39.8 | -178.1 | -65.6 | -35.6 | 0 | 0 | 0 | 112.6 | K188 N191 K226 G227 | K188-D223 WeakPolarHBondContact CD-OD1 3.49Å; K188-D223 IonicContact NZ-OD1 2.92Å; K188-D223 PolarHBondContact NZ-OD1 2.95Å; K188-D223 IonicContact NZ-OD2 3.36Å; K188-D223 PolarHBondContact NZ-OD2 3.41Å; N191-D223 HydrophobicContact CB-CB 3.88Å; N191-D223 CarbonylContact O-C 3.56Å; D223-K226 PolarHBondContact O-N 3.36Å; D223-G227 PolarHBondContact O-N 2.78Å; D223-G227 VanDerWaalsContact O-N 3.08Å |
| 224 | V | 96.6 | Very high | 98.4 | Very high | 34 Ų | 34 | 27.8 Ų | 27.8 | 21% | 0.206 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -63.4 | -51.9 | 175.1 | -177.1 | 0 | 0 | 0 | 0 | 111 | N191 I195 G222 K226 G227 C228 T275 V299 | N191-V224 HydrophobicContact CB-CG2 3.96Å; N191-V224 VanDerWaalsContact O-CA 3.31Å; N191-V224 WeakPolarHBondContact O-CA 3.48Å; I195-V224 HydrophobicContact CB-CG1 4.33Å; I195-V224 HydrophobicContact CD1-CG1 4.49Å; I195-V224 HydrophobicContact CG1-CG1 3.9Å; I195-V224 HydrophobicContact CG2-CG1 4.21Å; I195-V224 WeakPolarHBondContact CG2-O 3.48Å; G222-V224 VanDerWaalsContact C-N 3.31Å; G222-V224 PolarHBondContact O-N 2.85Å; V224-K226 VanDerWaalsContact C-N 3.31Å; V224-K226 PolarHBondContact O-N 3.41Å; V224-G227 PolarHBondContact O-N 3.46Å; V224-G227 VanDerWaalsContact O-N 3.16Å; V224-C228 PolarHBondContact O-N 3.49Å; V224-C228 PolarHBondContact O-SG 3.17Å; V224-C228 VanDerWaalsContact O-SG 3.38Å; V224-T275 HydrophobicContact CG1-CG2 3.9Å; V224-V299 HydrophobicContact CG1-CG2 3.9Å |
| 225 | G | 98.4 | Very high | 98.4 | Very high | 0 Ų | 0 | 28.3 Ų | 28.3 | 0% | 0 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -58.6 | -39.8 | 177.8 | 0 | 0 | 0 | 0 | 0 | 113.4 | G220 G222 C228 A229 T275 | G220-G225 WeakPolarHBondContact O-CA 3.39Å; G222-G225 PolarHBondContact O-N 3.07Å; G225-C228 PolarHBondContact O-N 3.25Å; G225-A229 WeakPolarHBondContact O-CB 3.38Å; G225-A229 PolarHBondContact O-N 2.86Å; G225-T275 WeakPolarHBondContact CA-OG1 3.49Å |
| 226 | K | 98.8 | Very high | 98.4 | Very high | 38 Ų | 38 | 27 Ų | 27 | 17% | 0.165 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -60.1 | -47.6 | 174.2 | -76.8 | 174.1 | 175.2 | 79.3 | 0 | 111.6 | L192 Y221 G222 D223 V224 C228 A229 Q230 N248 Q251 | L192-K226 HydrophobicContact CD1-CB 3.74Å; Y221-K226 HydrophobicContact CD1-CG 3.85Å; Y221-K226 HydrophobicContact CD2-CG 4.35Å; Y221-K226 HydrophobicContact CE1-CD 4.35Å; Y221-K226 HydrophobicContact CE1-CG 3.55Å; Y221-K226 HydrophobicContact CE2-CG 4.1Å; Y221-K226 HydrophobicContact CG-CG 4.24Å; Y221-K226 PolarHBondContact O-NZ 2.96Å; G222-K226 WeakPolarHBondContact O-CB 3.3Å; G222-K226 VanDerWaalsContact O-CG 3.27Å; G222-K226 WeakPolarHBondContact O-CG 3.38Å; G222-K226 PolarHBondContact O-N 3.35Å; D223-K226 PolarHBondContact O-N 3.36Å; V224-K226 VanDerWaalsContact C-N 3.31Å; V224-K226 PolarHBondContact O-N 3.41Å; K226-C228 VanDerWaalsContact C-N 3.35Å; K226-C228 PolarHBondContact O-N 2.79Å; K226-A229 PolarHBondContact O-N 3.28Å; K226-Q230 WeakPolarHBondContact O-CB 3.49Å; K226-Q230 PolarHBondContact O-N 2.9Å; K226-N248 PolarHBondContact NZ-OD1 3.38Å; K226-Q251 VanDerWaalsContact CE-OE1 3.24Å |
| 227 | G | 98.5 | Very high | 98.4 | Very high | 0 Ų | 0 | 27.3 Ų | 27.3 | 0% | 0 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -61 | -44.2 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112 | L192 D223 V224 Q230 A231 | L192-G227 WeakPolarHBondContact O-CA 3.46Å; D223-G227 PolarHBondContact O-N 2.78Å; D223-G227 VanDerWaalsContact O-N 3.08Å; V224-G227 PolarHBondContact O-N 3.46Å; V224-G227 VanDerWaalsContact O-N 3.16Å; G227-Q230 PolarHBondContact O-N 3.39Å; G227-A231 PolarHBondContact O-N 3.5Å; G227-A231 VanDerWaalsContact O-N 3.1Å |
| 228 | C | 98.8 | Very high | 98.4 | Very high | 0 Ų | 0 | 32.9 Ų | 32.9 | 0% | 0 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -59.3 | -51.5 | 177.6 | -72.4 | 0 | 0 | 0 | 0 | 112.9 | F199 V218 V224 G225 K226 Q230 A231 L232 V273 T275 | F199-C228 HydrophobicContact CD1-CB 4.23Å; F199-C228 VanDerWaalsContact CD1-SG 3.55Å; F199-C228 HydrophobicContact CE1-CB 4.01Å; F199-C228 HydrophobicContact CZ-CB 4.23Å; F199-C228 VanDerWaalsContact CZ-O 3.26Å; F199-C228 WeakPolarHBondContact CZ-O 3.33Å; V218-C228 HydrophobicContact CG1-CB 3.99Å; V218-C228 HydrophobicContact CG2-CB 4.32Å; V224-C228 PolarHBondContact O-N 3.49Å; V224-C228 PolarHBondContact O-SG 3.17Å; V224-C228 VanDerWaalsContact O-SG 3.38Å; G225-C228 PolarHBondContact O-N 3.25Å; K226-C228 VanDerWaalsContact C-N 3.35Å; K226-C228 PolarHBondContact O-N 2.79Å; C228-Q230 VanDerWaalsContact C-N 3.32Å; C228-Q230 PolarHBondContact O-N 3.13Å; C228-A231 PolarHBondContact O-N 2.93Å; C228-L232 PolarHBondContact O-N 3.05Å; C228-L232 VanDerWaalsContact O-N 3.08Å; C228-V273 HydrophobicContact CB-CG1 4.32Å; C228-T275 HydrophobicContact CB-CG2 4.42Å |
| 229 | A | 98.9 | Very high | 98.4 | Very high | 0 Ų | 0 | 33.3 Ų | 33.3 | 0% | 0 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -63.1 | -37.9 | 179.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | V218 Y221 G225 K226 R233 V239 Y257 | V218-A229 HydrophobicContact CG2-CB 4.23Å; Y221-A229 HydrophobicContact CD2-CB 4.43Å; Y221-A229 HydrophobicContact CE2-CB 3.68Å; G225-A229 WeakPolarHBondContact O-CB 3.38Å; G225-A229 PolarHBondContact O-N 2.86Å; K226-A229 PolarHBondContact O-N 3.28Å; A229-R233 VanDerWaalsContact O-CB 3.31Å; A229-R233 WeakPolarHBondContact O-CB 3.31Å; A229-R233 PolarHBondContact O-N 3.16Å; A229-R233 VanDerWaalsContact O-N 3.12Å; A229-V239 HydrophobicContact CB-CG1 3.93Å; A229-Y257 VanDerWaalsContact C-OH 3.26Å; A229-Y257 HydrophobicContact CB-CE1 4.02Å; A229-Y257 HydrophobicContact CB-CE2 4.12Å; A229-Y257 PolarHBondContact O-OH 2.82Å; A229-Y257 VanDerWaalsContact O-OH 3.07Å |
| 230 | Q | 98.8 | Very high | 98.4 | Very high | 90 Ų | 90 | 33.4 Ų | 33.4 | 42% | 0.421 | 19% | 0.193 | S | C | . | . | H | α-helix | trans | -65 | -43.8 | 177.5 | -169.6 | 174.9 | 24.9 | 0 | 0 | 111.4 | R196 K226 G227 C228 G234 Y257 | R196-Q230 HydrophobicContact CG-CB 4.47Å; K226-Q230 WeakPolarHBondContact O-CB 3.49Å; K226-Q230 PolarHBondContact O-N 2.9Å; G227-Q230 PolarHBondContact O-N 3.39Å; C228-Q230 VanDerWaalsContact C-N 3.32Å; C228-Q230 PolarHBondContact O-N 3.13Å; Q230-G234 PolarHBondContact O-N 3.3Å; Q230-Y257 PolarHBondContact N-OH 2.81Å |
| 231 | A | 98.7 | Very high | 98.4 | Very high | 12 Ų | 12 | 33.1 Ų | 33.1 | 10% | 0.099 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -69.9 | -44.2 | -178.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | R196 F199 I200 G227 C228 R233 G234 M235 | R196-A231 HydrophobicContact CG-CB 3.94Å; R196-A231 WeakPolarHBondContact O-CB 3.46Å; F199-A231 HydrophobicContact CE1-CB 3.46Å; F199-A231 VanDerWaalsContact CE1-CB 3.46Å; F199-A231 HydrophobicContact CZ-CB 3.77Å; I200-A231 HydrophobicContact CD1-CB 4.41Å; I200-A231 HydrophobicContact CG1-CB 3.63Å; G227-A231 PolarHBondContact O-N 3.5Å; G227-A231 VanDerWaalsContact O-N 3.1Å; C228-A231 PolarHBondContact O-N 2.93Å; A231-R233 VanDerWaalsContact C-N 3.33Å; A231-R233 PolarHBondContact O-N 2.8Å; A231-G234 PolarHBondContact O-N 3.1Å; A231-G234 VanDerWaalsContact O-N 3.17Å; A231-M235 PolarHBondContact O-N 3.09Å |
| 232 | L | 98.8 | Very high | 98.4 | Very high | 0 Ų | 0 | 33.6 Ų | 33.6 | 0% | 0 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -57.5 | -47.6 | 176.3 | -81.3 | 162.1 | 0 | 0 | 0 | 110.9 | F199 I200 I211 A216 V218 C228 G234 M235 G236 A237 V239 I271 V273 | F199-L232 HydrophobicContact CE2-CD1 4.2Å; F199-L232 HydrophobicContact CE2-CD2 4.23Å; F199-L232 HydrophobicContact CE2-CG 3.89Å; F199-L232 HydrophobicContact CZ-CD1 4.24Å; F199-L232 HydrophobicContact CZ-CD2 4.48Å; F199-L232 HydrophobicContact CZ-CG 3.76Å; I200-L232 HydrophobicContact CD1-CD2 4.11Å; I200-L232 HydrophobicContact CD1-CG 4.37Å; I211-L232 HydrophobicContact CG2-CD2 3.87Å; A216-L232 HydrophobicContact CB-CD1 3.73Å; A216-L232 HydrophobicContact CB-CD2 3.82Å; A216-L232 HydrophobicContact CB-CG 4.23Å; V218-L232 HydrophobicContact CG2-CD1 3.64Å; C228-L232 PolarHBondContact O-N 3.05Å; C228-L232 VanDerWaalsContact O-N 3.08Å; L232-G234 VanDerWaalsContact C-N 3.35Å; L232-G234 PolarHBondContact O-N 3.41Å; L232-M235 PolarHBondContact O-N 2.71Å; L232-G236 PolarHBondContact O-N 3.14Å; L232-A237 HydrophobicContact CB-CB 4.19Å; L232-A237 HydrophobicContact CD2-CB 4.34Å; L232-A237 WeakPolarHBondContact O-CB 3.41Å; L232-A237 PolarHBondContact O-N 2.88Å; L232-V239 HydrophobicContact CB-CG2 3.5Å; L232-V239 HydrophobicContact CD1-CG2 4.48Å; L232-I271 HydrophobicContact CD2-CG2 4.47Å; L232-V273 HydrophobicContact CD1-CG1 4.3Å |
| 233 | R | 98.8 | Very high | 98.5 | Very high | 128 Ų | 128 | 34.5 Ų | 34.5 | 48% | 0.483 | 19% | 0.19 | S | C | . | . | H | α-helix | trans | -62.6 | -42.1 | 176.3 | -175.3 | 179.2 | -178 | 172.3 | 3.2 | 111.7 | A229 A231 M235 G236 V239 E255 Y257 | A229-R233 VanDerWaalsContact O-CB 3.31Å; A229-R233 WeakPolarHBondContact O-CB 3.31Å; A229-R233 PolarHBondContact O-N 3.16Å; A229-R233 VanDerWaalsContact O-N 3.12Å; A231-R233 VanDerWaalsContact C-N 3.33Å; A231-R233 PolarHBondContact O-N 2.8Å; R233-M235 PolarHBondContact O-N 3.31Å; R233-G236 PolarHBondContact O-N 3.18Å; R233-V239 HydrophobicContact CB-CG2 4.19Å; R233-E255 PolarHBondContact NH1-O 2.7Å; R233-Y257 HydrophobicContact CB-CE1 4.17Å |
| 234 | G | 98.6 | Very high | 98.7 | Very high | 70 Ų | 70 | 41 Ų | 41 | 72% | 0.722 | 22% | 0.223 | S | C | * | . | H | α-helix | trans | -59.2 | -26.9 | 176.5 | 0 | 0 | 0 | 0 | 0 | 113.6 | Q230 A231 L232 | Q230-G234 PolarHBondContact O-N 3.3Å; A231-G234 PolarHBondContact O-N 3.1Å; A231-G234 VanDerWaalsContact O-N 3.17Å; L232-G234 VanDerWaalsContact C-N 3.35Å; L232-G234 PolarHBondContact O-N 3.41Å |
| 235 | M | 98.6 | Very high | 98.8 | Very high | 77 Ų | 77 | 42.2 Ų | 42.2 | 38% | 0.379 | 23% | 0.228 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -94.1 | 10.2 | 173.5 | -64.6 | -159.4 | 80.2 | 0 | 0 | 114.3 | I200 I211 A212 A231 L232 R233 | I200-M235 HydrophobicContact CD1-SD 4.16Å; I200-M235 HydrophobicContact CG1-SD 4.37Å; I200-M235 HydrophobicContact CG2-SD 3.45Å; I200-M235 WeakPolarHBondContact CG2-SD 3.35Å; I211-M235 HydrophobicContact CB-CB 3.87Å; I211-M235 HydrophobicContact CB-SD 4.25Å; I211-M235 HydrophobicContact CG1-CE 4.42Å; I211-M235 HydrophobicContact CG1-SD 3.93Å; I211-M235 HydrophobicContact CG2-CB 3.63Å; A212-M235 WeakPolarHBondContact CA-O 3.4Å; A212-M235 VanDerWaalsContact CB-O 3.31Å; A212-M235 WeakPolarHBondContact CB-O 3.45Å; A212-M235 PolarHBondContact N-O 2.87Å; A231-M235 PolarHBondContact O-N 3.09Å; L232-M235 PolarHBondContact O-N 2.71Å; R233-M235 PolarHBondContact O-N 3.31Å |
| 236 | G | 98.6 | Very high | 98.8 | Very high | 43 Ų | 43 | 47.1 Ų | 47.1 | 44% | 0.443 | 26% | 0.26 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 82.5 | 18 | 174.8 | 0 | 0 | 0 | 0 | 0 | 115.4 | G213 L232 R233 | G213-G236 PolarHBondContact N-O 2.8Å; L232-G236 PolarHBondContact O-N 3.14Å; R233-G236 PolarHBondContact O-N 3.18Å |
| 237 | A | 98.8 | Very high | 98.8 | Very high | 8 Ų | 8 | 50.9 Ų | 50.9 | 7% | 0.066 | 28% | 0.281 | C | S | . | . | trans | -77.2 | 149.2 | 167.3 | 0 | 0 | 0 | 0 | 0 | 111 | I211 K214 A216 L232 V239 | I211-A237 HydrophobicContact CG2-CB 3.8Å; K214-A237 CarbonylContact O-C 2.95Å; K214-A237 WeakPolarHBondContact O-CA 3.42Å; A216-A237 HydrophobicContact CB-CB 4.22Å; L232-A237 HydrophobicContact CB-CB 4.19Å; L232-A237 HydrophobicContact CD2-CB 4.34Å; L232-A237 WeakPolarHBondContact O-CB 3.41Å; L232-A237 PolarHBondContact O-N 2.88Å; A237-V239 HydrophobicContact CB-CG2 4.42Å | ||
| 238 | R | 98.9 | Very high | 98.8 | Very high | 117 Ų | 117 | 52.4 Ų | 52.4 | 44% | 0.442 | 29% | 0.289 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.6 | 111.4 | 166.3 | -170.2 | 157.3 | 71.8 | 101.7 | -9.6 | 108.7 | K214 F215 A216 F240 E258 | K214-R238 PolarHBondContact O-N 3.33Å; F215-R238 WeakPolarHBondContact CA-O 3.43Å; F215-R238 HydrophobicContact CD1-CB 3.74Å; F215-R238 HydrophobicContact CE1-CB 4.2Å; F215-R238 VanDerWaalsContact CE1-NE 3.28Å; A216-R238 PolarHBondContact N-O 2.85Å; R238-F240 HydrophobicContact CG-CE2 4.2Å; R238-E258 IonicContact NH1-OE2 3.73Å; R238-E258 PolarHBondContact NH1-OE2 3.26Å |
| 239 | V | 98.9 | Very high | 98.8 | Very high | 9 Ų | 9 | 53.3 Ų | 53.3 | 6% | 0.055 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.1 | 128.6 | -169.8 | 179 | 0 | 0 | 0 | 0 | 111 | A216 V218 A229 L232 R233 A237 V241 Y257 | A216-V239 CarbonylContact O-C 3.54Å; A216-V239 WeakPolarHBondContact O-CA 3.5Å; V218-V239 HydrophobicContact CG2-CG1 3.85Å; A229-V239 HydrophobicContact CB-CG1 3.93Å; L232-V239 HydrophobicContact CB-CG2 3.5Å; L232-V239 HydrophobicContact CD1-CG2 4.48Å; R233-V239 HydrophobicContact CB-CG2 4.19Å; A237-V239 HydrophobicContact CB-CG2 4.42Å; V239-V241 HydrophobicContact CG1-CG2 4.47Å; V239-Y257 HydrophobicContact CB-CD1 3.6Å; V239-Y257 HydrophobicContact CB-CE1 3.66Å; V239-Y257 HydrophobicContact CG1-CD1 3.73Å; V239-Y257 HydrophobicContact CG1-CE1 3.85Å; V239-Y257 HydrophobicContact CG2-CE1 4.23Å |
| 240 | F | 98.9 | Very high | 98.8 | Very high | 1 Ų | 1 | 58.5 Ų | 58.5 | 0% | 0.004 | 32% | 0.324 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106 | 147.8 | 169.8 | -64.3 | -106.8 | 0 | 0 | 0 | 108.6 | F215 A216 C217 V218 R238 E258 Y264 | F215-F240 HydrophobicContact CB-CD2 4.43Å; F215-F240 HydrophobicContact CB-CE2 3.93Å; F215-F240 HydrophobicContact CD2-CE2 4.03Å; F215-F240 HydrophobicContact CD2-CZ 4.3Å; F215-F240 AromaticContact CG-CE2 3.94Å; F215-F240 HydrophobicContact CG-CE2 3.94Å; A216-F240 PolarHBondContact O-N 2.61Å; C217-F240 WeakPolarHBondContact CA-O 3.23Å; V218-F240 PolarHBondContact N-O 2.76Å; R238-F240 HydrophobicContact CG-CE2 4.2Å; F240-E258 CarbonylContact C-O 3.56Å; F240-E258 VanDerWaalsContact CA-O 3.29Å; F240-E258 WeakPolarHBondContact CA-O 3.22Å; F240-E258 HydrophobicContact CD1-CB 3.87Å; F240-E258 HydrophobicContact CD1-CG 3.93Å; F240-E258 HydrophobicContact CE1-CB 4.1Å; F240-E258 HydrophobicContact CE1-CG 3.96Å; F240-E258 WeakPolarHBondContact CE1-OE1 3.45Å; F240-E258 WeakPolarHBondContact CE1-OE2 3.18Å; F240-Y264 HydrophobicContact CD1-CE1 4.24Å; F240-Y264 AromaticContact CE1-CE1 3.89Å; F240-Y264 HydrophobicContact CE1-CE1 3.89Å |
| 241 | V | 98.9 | Very high | 98.8 | Very high | 0 Ų | 0 | 58.2 Ų | 58.2 | 0% | 0 | 32% | 0.322 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.2 | 138.7 | 178.8 | 172.1 | 0 | 0 | 0 | 0 | 109.4 | V218 Y221 V239 E243 A252 Y257 E258 V259 N260 | V218-V241 WeakPolarHBondContact O-CA 3.02Å; Y221-V241 HydrophobicContact CD2-CG1 3.91Å; Y221-V241 HydrophobicContact CD2-CG2 3.78Å; Y221-V241 HydrophobicContact CE2-CG2 4.03Å; Y221-V241 HydrophobicContact CG-CG1 4.03Å; V239-V241 HydrophobicContact CG1-CG2 4.47Å; V241-E243 HydrophobicContact CG1-CG 4.31Å; V241-A252 HydrophobicContact CB-CB 4.17Å; V241-A252 HydrophobicContact CG1-CB 4Å; V241-A252 HydrophobicContact CG2-CB 4.16Å; V241-Y257 HydrophobicContact CG2-CG 4.22Å; V241-E258 PolarHBondContact N-O 2.91Å; V241-V259 HydrophobicContact CB-CG2 4.28Å; V241-V259 CarbonylContact O-C 3.44Å; V241-V259 VanDerWaalsContact O-CA 3.3Å; V241-V259 WeakPolarHBondContact O-CA 3.47Å; V241-N260 PolarHBondContact O-N 3.39Å |
| 242 | T | 98.9 | Very high | 98.8 | Very high | 18 Ų | 18 | 57.6 Ų | 57.6 | 11% | 0.11 | 32% | 0.317 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.8 | 136.8 | 163.8 | 76.5 | 0 | 0 | 0 | 0 | 109.4 | V218 C219 G220 N260 M262 | V218-T242 PolarHBondContact O-N 3.45Å; C219-T242 WeakPolarHBondContact CA-OG1 3.18Å; G220-T242 WeakPolarHBondContact CA-O 3.42Å; G220-T242 PolarHBondContact N-O 3.45Å; T242-N260 WeakPolarHBondContact CA-O 3.49Å; T242-N260 WeakPolarHBondContact CB-O 3.41Å; T242-N260 VanDerWaalsContact CG2-O 3.31Å; T242-N260 WeakPolarHBondContact CG2-O 3.33Å; T242-M262 HydrophobicContact CG2-CE 3.69Å |
| 243 | E | 98.8 | Very high | 98.8 | Very high | 49 Ų | 49 | 60.8 Ų | 60.8 | 23% | 0.229 | 34% | 0.339 | C | S | . | . | trans | -149 | 148.4 | 179.5 | -106.2 | -63.1 | 179.8 | 0 | 0 | 111.7 | Y221 V241 D245 N248 A249 | Y221-E243 WeakPolarHBondContact CA-OE1 3.18Å; Y221-E243 PolarHBondContact N-OE1 3.04Å; V241-E243 HydrophobicContact CG1-CG 4.31Å; E243-D245 PolarHBondContact OE2-N 3.48Å; E243-N248 HydrophobicContact CG-CB 3.94Å; E243-N248 WeakPolarHBondContact OE1-CB 2.98Å; E243-A249 HydrophobicContact CB-CB 3.94Å | ||
| 244 | I | 98.7 | Very high | 98.8 | Very high | 166 Ų | 166 | 61.8 Ų | 61.8 | 85% | 0.851 | 35% | 0.351 | S | S | * | . | S | Bend | trans | -102.1 | -25.5 | 170.8 | 63 | 171.6 | 0 | 0 | 0 | 111.4 | ||
| 245 | D | 98.7 | Very high | 98.8 | Very high | 61 Ų | 61 | 63.8 Ų | 63.8 | 33% | 0.326 | 34% | 0.341 | S | S | . | . | trans | -88 | 119.8 | -179.9 | -174.4 | -40.8 | 0 | 0 | 0 | 109.9 | E243 I247 N248 A249 | E243-D245 PolarHBondContact OE2-N 3.48Å; D245-I247 VanDerWaalsContact C-N 3.27Å; D245-I247 PolarHBondContact O-N 2.85Å; D245-I247 WeakPolarHBondContact OD1-CA 3.36Å; D245-I247 VanDerWaalsContact OD1-CB 3.29Å; D245-I247 WeakPolarHBondContact OD1-CB 3.43Å; D245-I247 PolarHBondContact OD1-N 3.42Å; D245-N248 HydrophobicContact CB-CB 4.18Å; D245-N248 WeakPolarHBondContact CB-ND2 3.38Å; D245-N248 PolarHBondContact O-N 3.12Å; D245-N248 PolarHBondContact OD1-N 3.08Å; D245-N248 PolarHBondContact OD2-ND2 3.31Å; D245-A249 WeakPolarHBondContact O-CB 3.44Å; D245-A249 PolarHBondContact O-N 2.9Å | ||
| 246 | P | 98.7 | Very high | 98.8 | Very high | 102 Ų | 102 | 63 Ų | 63 | 66% | 0.662 | 35% | 0.352 | S | S | * | . | H | α-helix | trans | -65.4 | -26.1 | -177.8 | 27.3 | -35.1 | 0 | 0 | 0 | 113.7 | L250 | P246-L250 VanDerWaalsContact O-CB 3.25Å; P246-L250 WeakPolarHBondContact O-CB 3.37Å; P246-L250 PolarHBondContact O-N 2.97Å |
| 247 | I | 98.8 | Very high | 98.8 | Very high | 117 Ų | 117 | 61.8 Ų | 61.8 | 60% | 0.6 | 34% | 0.335 | S | S | * | . | H | α-helix | trans | -70.8 | -48.7 | 176.4 | -58.9 | 174.9 | 0 | 0 | 0 | 109.3 | D245 L250 Q251 | D245-I247 VanDerWaalsContact C-N 3.27Å; D245-I247 PolarHBondContact O-N 2.85Å; D245-I247 WeakPolarHBondContact OD1-CA 3.36Å; D245-I247 VanDerWaalsContact OD1-CB 3.29Å; D245-I247 WeakPolarHBondContact OD1-CB 3.43Å; D245-I247 PolarHBondContact OD1-N 3.42Å; I247-L250 PolarHBondContact O-N 3.04Å; I247-Q251 WeakPolarHBondContact O-CG 3.26Å; I247-Q251 PolarHBondContact O-N 3.05Å |
| 248 | N | 98.8 | Very high | 98.8 | Very high | 33 Ų | 33 | 64.4 Ų | 64.4 | 18% | 0.176 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -66.2 | -40.2 | 178.1 | -68.4 | -51.1 | 0 | 0 | 0 | 111.4 | Y221 K226 E243 D245 L250 Q251 A252 | Y221-N248 WeakPolarHBondContact CD1-O 3.19Å; K226-N248 PolarHBondContact NZ-OD1 3.38Å; E243-N248 HydrophobicContact CG-CB 3.94Å; E243-N248 WeakPolarHBondContact OE1-CB 2.98Å; D245-N248 HydrophobicContact CB-CB 4.18Å; D245-N248 WeakPolarHBondContact CB-ND2 3.38Å; D245-N248 PolarHBondContact O-N 3.12Å; D245-N248 PolarHBondContact OD1-N 3.08Å; D245-N248 PolarHBondContact OD2-ND2 3.31Å; N248-L250 PolarHBondContact O-N 2.92Å; N248-Q251 WeakPolarHBondContact O-CB 3.47Å; N248-Q251 PolarHBondContact O-N 3.1Å; N248-Q251 PolarHBondContact OD1-OE1 3Å; N248-A252 PolarHBondContact O-N 3.37Å |
| 249 | A | 98.9 | Very high | 98.8 | Very high | 19 Ų | 19 | 60.8 Ų | 60.8 | 16% | 0.157 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -59.3 | -45.4 | 173.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | E243 D245 Q251 A252 C253 V259 | E243-A249 HydrophobicContact CB-CB 3.94Å; D245-A249 WeakPolarHBondContact O-CB 3.44Å; D245-A249 PolarHBondContact O-N 2.9Å; A249-Q251 VanDerWaalsContact C-N 3.33Å; A249-Q251 PolarHBondContact O-N 3.43Å; A249-A252 PolarHBondContact O-N 2.95Å; A249-C253 PolarHBondContact O-N 3.46Å; A249-C253 PolarHBondContact O-SG 2.86Å; A249-V259 HydrophobicContact CB-CG1 4.15Å |
| 250 | L | 98.9 | Very high | 98.8 | Very high | 109 Ų | 109 | 62.9 Ų | 62.9 | 57% | 0.571 | 35% | 0.347 | S | S | * | . | H | α-helix | trans | -62.7 | -41.8 | 176.6 | -179 | 59.9 | 0 | 0 | 0 | 111.1 | P246 I247 N248 A252 C253 M254 | P246-L250 VanDerWaalsContact O-CB 3.25Å; P246-L250 WeakPolarHBondContact O-CB 3.37Å; P246-L250 PolarHBondContact O-N 2.97Å; I247-L250 PolarHBondContact O-N 3.04Å; N248-L250 PolarHBondContact O-N 2.92Å; L250-A252 VanDerWaalsContact C-N 3.34Å; L250-A252 PolarHBondContact O-N 3.37Å; L250-C253 PolarHBondContact O-N 3.22Å; L250-M254 HydrophobicContact CD1-CG 4.14Å; L250-M254 HydrophobicContact CD1-SD 4.44Å; L250-M254 HydrophobicContact CG-CG 4.31Å; L250-M254 WeakPolarHBondContact O-CB 3.16Å; L250-M254 VanDerWaalsContact O-CG 3.23Å; L250-M254 WeakPolarHBondContact O-CG 3.19Å; L250-M254 PolarHBondContact O-N 3.2Å |
| 251 | Q | 98.9 | Very high | 98.8 | Very high | 83 Ų | 83 | 66.5 Ų | 66.5 | 39% | 0.388 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -57.6 | -46.2 | 173.8 | -72 | -179.2 | -45.1 | 0 | 0 | 111.7 | Y221 K226 I247 N248 A249 C253 M254 E255 | Y221-Q251 HydrophobicContact CD1-CB 4.4Å; Y221-Q251 HydrophobicContact CE1-CB 4.16Å; K226-Q251 VanDerWaalsContact CE-OE1 3.24Å; I247-Q251 WeakPolarHBondContact O-CG 3.26Å; I247-Q251 PolarHBondContact O-N 3.05Å; N248-Q251 WeakPolarHBondContact O-CB 3.47Å; N248-Q251 PolarHBondContact O-N 3.1Å; N248-Q251 PolarHBondContact OD1-OE1 3Å; A249-Q251 VanDerWaalsContact C-N 3.33Å; A249-Q251 PolarHBondContact O-N 3.43Å; Q251-C253 PolarHBondContact O-N 3.33Å; Q251-M254 PolarHBondContact O-N 3.13Å; Q251-E255 WeakPolarHBondContact O-CG 3.32Å; Q251-E255 PolarHBondContact O-N 3.19Å |
| 252 | A | 98.9 | Very high | 98.8 | Very high | 0 Ų | 0 | 67.1 Ų | 67.1 | 0% | 0 | 37% | 0.372 | C | S | . | . | H | α-helix | trans | -59.8 | -45 | 177 | 0 | 0 | 0 | 0 | 0 | 112.3 | Y221 V241 N248 A249 L250 M254 E255 G256 Y257 V259 | Y221-A252 HydrophobicContact CD1-CB 3.66Å; Y221-A252 HydrophobicContact CD2-CB 4.17Å; Y221-A252 HydrophobicContact CE1-CB 3.7Å; Y221-A252 HydrophobicContact CE2-CB 4.19Å; Y221-A252 HydrophobicContact CG-CB 3.91Å; V241-A252 HydrophobicContact CB-CB 4.17Å; V241-A252 HydrophobicContact CG1-CB 4Å; V241-A252 HydrophobicContact CG2-CB 4.16Å; N248-A252 PolarHBondContact O-N 3.37Å; A249-A252 PolarHBondContact O-N 2.95Å; L250-A252 VanDerWaalsContact C-N 3.34Å; L250-A252 PolarHBondContact O-N 3.37Å; A252-M254 VanDerWaalsContact C-N 3.33Å; A252-M254 PolarHBondContact O-N 2.89Å; A252-E255 PolarHBondContact O-N 2.91Å; A252-G256 PolarHBondContact O-N 3.14Å; A252-Y257 HydrophobicContact CB-CD2 4.48Å; A252-Y257 WeakPolarHBondContact O-CB 3.43Å; A252-Y257 WeakPolarHBondContact O-CD2 3.5Å; A252-Y257 PolarHBondContact O-N 3.4Å; A252-V259 HydrophobicContact CB-CG2 3.64Å |
| 253 | C | 98.8 | Very high | 98.8 | Very high | 66 Ų | 66 | 70.5 Ų | 70.5 | 45% | 0.446 | 39% | 0.387 | S | S | . | . | H | α-helix | trans | -59.8 | -42.4 | 174.5 | -72 | 0 | 0 | 0 | 0 | 112.1 | A249 L250 Q251 E255 G256 V259 | A249-C253 PolarHBondContact O-N 3.46Å; A249-C253 PolarHBondContact O-SG 2.86Å; L250-C253 PolarHBondContact O-N 3.22Å; Q251-C253 PolarHBondContact O-N 3.33Å; C253-E255 VanDerWaalsContact C-N 3.26Å; C253-E255 PolarHBondContact O-N 3.12Å; C253-G256 WeakPolarHBondContact O-CA 3.49Å; C253-G256 PolarHBondContact O-N 3.1Å; C253-V259 WeakPolarHBondContact SG-CG2 3.49Å |
| 254 | M | 98.8 | Very high | 98.8 | Very high | 149 Ų | 149 | 71.7 Ų | 71.7 | 73% | 0.734 | 39% | 0.39 | S | S | * | . | H | α-helix | trans | -68.4 | -25.3 | -180 | -69 | -53.2 | -69.1 | 0 | 0 | 113.1 | L250 Q251 A252 G256 | L250-M254 HydrophobicContact CD1-CG 4.14Å; L250-M254 HydrophobicContact CD1-SD 4.44Å; L250-M254 HydrophobicContact CG-CG 4.31Å; L250-M254 WeakPolarHBondContact O-CB 3.16Å; L250-M254 VanDerWaalsContact O-CG 3.23Å; L250-M254 WeakPolarHBondContact O-CG 3.19Å; L250-M254 PolarHBondContact O-N 3.2Å; Q251-M254 PolarHBondContact O-N 3.13Å; A252-M254 VanDerWaalsContact C-N 3.33Å; A252-M254 PolarHBondContact O-N 2.89Å; M254-G256 VanDerWaalsContact C-N 3.26Å |
| 255 | E | 98.8 | Very high | 98.8 | Very high | 113 Ų | 113 | 63.8 Ų | 63.8 | 53% | 0.528 | 35% | 0.349 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -81.2 | -4.8 | 169.6 | -65.1 | -60.9 | 152.9 | 0 | 0 | 112.5 | R233 Q251 A252 C253 Y257 | R233-E255 PolarHBondContact NH1-O 2.7Å; Q251-E255 WeakPolarHBondContact O-CG 3.32Å; Q251-E255 PolarHBondContact O-N 3.19Å; A252-E255 PolarHBondContact O-N 2.91Å; C253-E255 VanDerWaalsContact C-N 3.26Å; C253-E255 PolarHBondContact O-N 3.12Å; E255-Y257 HydrophobicContact CB-CD2 3.63Å; E255-Y257 HydrophobicContact CB-CE2 3.55Å; E255-Y257 HydrophobicContact CG-CE2 4.4Å |
| 256 | G | 98.7 | Very high | 98.8 | Very high | 59 Ų | 59 | 60.9 Ų | 60.9 | 61% | 0.608 | 33% | 0.334 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 85.1 | 19.7 | 179 | 0 | 0 | 0 | 0 | 0 | 114.6 | A252 C253 M254 | A252-G256 PolarHBondContact O-N 3.14Å; C253-G256 WeakPolarHBondContact O-CA 3.49Å; C253-G256 PolarHBondContact O-N 3.1Å; M254-G256 VanDerWaalsContact C-N 3.26Å |
| 257 | Y | 98.9 | Very high | 98.8 | Very high | 19 Ų | 19 | 58.6 Ų | 58.6 | 8% | 0.075 | 32% | 0.319 | C | S | . | . | trans | -82.1 | 143.2 | 170.1 | -60.7 | -67.1 | 0 | 0 | 0 | 110.9 | Y221 A229 Q230 R233 V239 V241 A252 E255 V259 | Y221-Y257 HydrophobicContact CE2-CD2 4.11Å; Y221-Y257 HydrophobicContact CE2-CE2 4.2Å; Y221-Y257 AromaticContact CZ-CD2 3.97Å; Y221-Y257 WeakPolarHBondContact OH-CD2 3.48Å; Y221-Y257 WeakPolarHBondContact OH-CE2 3.31Å; A229-Y257 VanDerWaalsContact C-OH 3.26Å; A229-Y257 HydrophobicContact CB-CE1 4.02Å; A229-Y257 HydrophobicContact CB-CE2 4.12Å; A229-Y257 PolarHBondContact O-OH 2.82Å; A229-Y257 VanDerWaalsContact O-OH 3.07Å; Q230-Y257 PolarHBondContact N-OH 2.81Å; R233-Y257 HydrophobicContact CB-CE1 4.17Å; V239-Y257 HydrophobicContact CB-CD1 3.6Å; V239-Y257 HydrophobicContact CB-CE1 3.66Å; V239-Y257 HydrophobicContact CG1-CD1 3.73Å; V239-Y257 HydrophobicContact CG1-CE1 3.85Å; V239-Y257 HydrophobicContact CG2-CE1 4.23Å; V241-Y257 HydrophobicContact CG2-CG 4.22Å; A252-Y257 HydrophobicContact CB-CD2 4.48Å; A252-Y257 WeakPolarHBondContact O-CB 3.43Å; A252-Y257 WeakPolarHBondContact O-CD2 3.5Å; A252-Y257 PolarHBondContact O-N 3.4Å; E255-Y257 HydrophobicContact CB-CD2 3.63Å; E255-Y257 HydrophobicContact CB-CE2 3.55Å; E255-Y257 HydrophobicContact CG-CE2 4.4Å; Y257-V259 PolarHBondContact O-N 3.5Å | ||
| 258 | E | 98.7 | Very high | 98.8 | Very high | 63 Ų | 63 | 58.5 Ų | 58.5 | 29% | 0.294 | 31% | 0.311 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.4 | 115.8 | 172.3 | -171.9 | 174.5 | 155.1 | 0 | 0 | 108.8 | R238 F240 V241 N260 Y264 | R238-E258 IonicContact NH1-OE2 3.73Å; R238-E258 PolarHBondContact NH1-OE2 3.26Å; F240-E258 CarbonylContact C-O 3.56Å; F240-E258 VanDerWaalsContact CA-O 3.29Å; F240-E258 WeakPolarHBondContact CA-O 3.22Å; F240-E258 HydrophobicContact CD1-CB 3.87Å; F240-E258 HydrophobicContact CD1-CG 3.93Å; F240-E258 HydrophobicContact CE1-CB 4.1Å; F240-E258 HydrophobicContact CE1-CG 3.96Å; F240-E258 WeakPolarHBondContact CE1-OE1 3.45Å; F240-E258 WeakPolarHBondContact CE1-OE2 3.18Å; V241-E258 PolarHBondContact N-O 2.91Å; E258-N260 WeakPolarHBondContact CG-ND2 3.27Å; E258-N260 PolarHBondContact OE1-ND2 3.27Å; E258-Y264 WeakPolarHBondContact OE1-CE1 3.48Å; E258-Y264 PolarHBondContact OE1-OH 2.62Å |
| 259 | V | 98.9 | Very high | 98.8 | Very high | 40 Ų | 40 | 57 Ų | 57 | 24% | 0.242 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.1 | 120.7 | 177.5 | -178 | 0 | 0 | 0 | 0 | 109.8 | V241 A249 A252 C253 Y257 | V241-V259 HydrophobicContact CB-CG2 4.28Å; V241-V259 CarbonylContact O-C 3.44Å; V241-V259 VanDerWaalsContact O-CA 3.3Å; V241-V259 WeakPolarHBondContact O-CA 3.47Å; A249-V259 HydrophobicContact CB-CG1 4.15Å; A252-V259 HydrophobicContact CB-CG2 3.64Å; C253-V259 WeakPolarHBondContact SG-CG2 3.49Å; Y257-V259 PolarHBondContact O-N 3.5Å |
| 260 | N | 98.7 | Very high | 98.8 | Very high | 53 Ų | 53 | 57.4 Ų | 57.4 | 28% | 0.283 | 31% | 0.305 | S | S | . | . | trans | -149.4 | 175 | -177.1 | -95.8 | -54.9 | 0 | 0 | 0 | 111.7 | V241 T242 E258 Y264 | V241-N260 PolarHBondContact O-N 3.39Å; T242-N260 WeakPolarHBondContact CA-O 3.49Å; T242-N260 WeakPolarHBondContact CB-O 3.41Å; T242-N260 VanDerWaalsContact CG2-O 3.31Å; T242-N260 WeakPolarHBondContact CG2-O 3.33Å; E258-N260 WeakPolarHBondContact CG-ND2 3.27Å; E258-N260 PolarHBondContact OE1-ND2 3.27Å; N260-Y264 HydrophobicContact CB-CD1 3.48Å; N260-Y264 VanDerWaalsContact CB-CD1 3.48Å; N260-Y264 HydrophobicContact CB-CE1 4.07Å; N260-Y264 HydrophobicContact CB-CG 3.98Å; N260-Y264 VanDerWaalsContact ND2-CE1 3.28Å; N260-Y264 WeakPolarHBondContact ND2-CE1 3.26Å | ||
| 261 | T | 98.8 | Very high | 98.8 | Very high | 77 Ų | 77 | 52.2 Ų | 52.2 | 47% | 0.472 | 28% | 0.278 | S | S | . | . | trans | -82.1 | 165.3 | 178.3 | 79.5 | 0 | 0 | 0 | 0 | 112.4 | E263 Y264 C265 | T261-E263 VanDerWaalsContact C-N 3.27Å; T261-E263 VanDerWaalsContact CB-OE2 3.22Å; T261-E263 WeakPolarHBondContact CB-OE2 3.43Å; T261-E263 PolarHBondContact O-N 3.3Å; T261-E263 PolarHBondContact OG1-N 2.94Å; T261-E263 PolarHBondContact OG1-OE2 2.88Å; T261-Y264 WeakPolarHBondContact O-CB 3.34Å; T261-Y264 PolarHBondContact O-N 3.39Å; T261-Y264 VanDerWaalsContact O-N 3.15Å; T261-Y264 PolarHBondContact OG1-N 3.04Å; T261-C265 PolarHBondContact O-N 3.37Å; T261-C265 PolarHBondContact O-SG 2.78Å; T261-C265 VanDerWaalsContact O-SG 3.4Å | ||
| 262 | M | 98.8 | Very high | 98.8 | Very high | 13 Ų | 13 | 48.3 Ų | 48.3 | 6% | 0.064 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -63.3 | -35.7 | 176.7 | -166.9 | 50.6 | 62.1 | 0 | 0 | 112.2 | C219 T242 Y264 C265 A266 F272 V281 I282 H286 | C219-M262 HydrophobicContact CB-CE 4.04Å; C219-M262 WeakPolarHBondContact SG-CE 3.27Å; T242-M262 HydrophobicContact CG2-CE 3.69Å; M262-Y264 PolarHBondContact O-N 2.91Å; M262-C265 PolarHBondContact O-N 2.89Å; M262-A266 VanDerWaalsContact O-CB 3.24Å; M262-A266 WeakPolarHBondContact O-CB 3.47Å; M262-A266 PolarHBondContact O-N 3.35Å; M262-F272 HydrophobicContact SD-CD1 4.24Å; M262-F272 HydrophobicContact SD-CE1 4.33Å; M262-V281 HydrophobicContact CE-CG1 4.39Å; M262-I282 HydrophobicContact CE-CG1 4.41Å; M262-I282 HydrophobicContact SD-CG1 4.41Å; M262-H286 HydrophobicContact CG-CB 4.22Å; M262-H286 VanDerWaalsContact CG-ND1 3.29Å; M262-H286 WeakPolarHBondContact CG-ND1 3.49Å |
| 263 | E | 98.7 | Very high | 98.8 | Very high | 90 Ų | 90 | 48.3 Ų | 48.3 | 42% | 0.421 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -63.1 | -31.8 | 176.3 | -61 | 74.6 | -164.4 | 0 | 0 | 111.9 | T261 P267 R285 H286 | T261-E263 VanDerWaalsContact C-N 3.27Å; T261-E263 VanDerWaalsContact CB-OE2 3.22Å; T261-E263 WeakPolarHBondContact CB-OE2 3.43Å; T261-E263 PolarHBondContact O-N 3.3Å; T261-E263 PolarHBondContact OG1-N 2.94Å; T261-E263 PolarHBondContact OG1-OE2 2.88Å; E263-P267 VanDerWaalsContact O-CD 3.28Å; E263-P267 WeakPolarHBondContact O-CD 3.29Å; E263-R285 IonicContact OE1-CZ 3.48Å; E263-R285 IonicContact OE1-NE 3.95Å; E263-R285 IonicContact OE1-NH2 3.87Å; E263-R285 PolarHBondContact OE1-NH2 2.89Å; E263-H286 IonicContact OE1-NE2 3.87Å; E263-H286 PolarHBondContact OE1-NE2 2.87Å |
| 264 | Y | 98.7 | Very high | 98.8 | Very high | 73 Ų | 73 | 45.2 Ų | 45.2 | 29% | 0.286 | 24% | 0.238 | S | C | . | . | H | α-helix | trans | -76.2 | -42.6 | 173.4 | -179.6 | -89.4 | 0 | 0 | 0 | 111.7 | F240 E258 N260 T261 M262 R268 | F240-Y264 HydrophobicContact CD1-CE1 4.24Å; F240-Y264 AromaticContact CE1-CE1 3.89Å; F240-Y264 HydrophobicContact CE1-CE1 3.89Å; E258-Y264 WeakPolarHBondContact OE1-CE1 3.48Å; E258-Y264 PolarHBondContact OE1-OH 2.62Å; N260-Y264 HydrophobicContact CB-CD1 3.48Å; N260-Y264 VanDerWaalsContact CB-CD1 3.48Å; N260-Y264 HydrophobicContact CB-CE1 4.07Å; N260-Y264 HydrophobicContact CB-CG 3.98Å; N260-Y264 VanDerWaalsContact ND2-CE1 3.28Å; N260-Y264 WeakPolarHBondContact ND2-CE1 3.26Å; T261-Y264 WeakPolarHBondContact O-CB 3.34Å; T261-Y264 PolarHBondContact O-N 3.39Å; T261-Y264 VanDerWaalsContact O-N 3.15Å; T261-Y264 PolarHBondContact OG1-N 3.04Å; M262-Y264 PolarHBondContact O-N 2.91Å; Y264-R268 WeakPolarHBondContact O-CD 3.33Å; Y264-R268 PolarHBondContact O-NH1 2.92Å |
| 265 | C | 98.8 | Very high | 98.7 | Very high | 0 Ų | 0 | 38.8 Ų | 38.8 | 0% | 0 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -73.7 | -36.6 | -176.1 | -67.1 | 0 | 0 | 0 | 0 | 113.4 | C217 T261 M262 R268 C269 | C217-C265 HydrophobicContact CB-CB 4.05Å; C217-C265 WeakPolarHBondContact SG-CB 3.45Å; T261-C265 PolarHBondContact O-N 3.37Å; T261-C265 PolarHBondContact O-SG 2.78Å; T261-C265 VanDerWaalsContact O-SG 3.4Å; M262-C265 PolarHBondContact O-N 2.89Å; C265-R268 PolarHBondContact O-N 3.11Å; C265-C269 PolarHBondContact O-N 2.68Å |
| 266 | A | 98.8 | Very high | 98.6 | Very high | 1 Ų | 1 | 35.9 Ų | 35.9 | 1% | 0.008 | 20% | 0.198 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -50.7 | -52.2 | -174.6 | 0 | 0 | 0 | 0 | 0 | 113.8 | M262 R268 F272 H286 E289 M290 P291 | M262-A266 VanDerWaalsContact O-CB 3.24Å; M262-A266 WeakPolarHBondContact O-CB 3.47Å; M262-A266 PolarHBondContact O-N 3.35Å; A266-R268 PolarHBondContact O-N 3.19Å; A266-F272 WeakPolarHBondContact O-CZ 3.5Å; A266-H286 HydrophobicContact CB-CB 4.08Å; A266-E289 HydrophobicContact CB-CB 4.4Å; A266-M290 WeakPolarHBondContact O-CA 3.37Å; A266-P291 WeakPolarHBondContact O-CD 3.28Å |
| 267 | P | 98.7 | Very high | 98.3 | Very high | 54 Ų | 54 | 35.5 Ų | 35.5 | 35% | 0.351 | 19% | 0.194 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -77 | -2.5 | 179.5 | 31.1 | -37.3 | 0 | 0 | 0 | 115 | E263 E289 | E263-P267 VanDerWaalsContact O-CD 3.28Å; E263-P267 WeakPolarHBondContact O-CD 3.29Å; P267-E289 WeakPolarHBondContact CA-O 3.37Å; P267-E289 HydrophobicContact CB-CB 4.46Å |
| 268 | R | 98.7 | Very high | 98.1 | Very high | 115 Ų | 115 | 37.8 Ų | 37.8 | 43% | 0.434 | 21% | 0.212 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -115.3 | -35.8 | -171.1 | -68.2 | 174.7 | 178.4 | 70.9 | 3 | 113.8 | F215 Y264 C265 A266 | F215-R268 WeakPolarHBondContact CD2-O 3.44Å; Y264-R268 WeakPolarHBondContact O-CD 3.33Å; Y264-R268 PolarHBondContact O-NH1 2.92Å; C265-R268 PolarHBondContact O-N 3.11Å; A266-R268 PolarHBondContact O-N 3.19Å |
| 269 | C | 98.8 | Very high | 97.9 | Very high | 0 Ų | 0 | 42.9 Ų | 42.9 | 0% | 0 | 23% | 0.228 | C | C | . | . | trans | -89.7 | 153.6 | -176.5 | -61.6 | 0 | 0 | 0 | 0 | 110.9 | F215 C217 C265 F272 P291 | F215-C269 HydrophobicContact CB-CB 4.4Å; F215-C269 CarbonylContact O-C 3.52Å; F215-C269 WeakPolarHBondContact O-CA 3.48Å; F215-C269 WeakPolarHBondContact O-CB 3.35Å; C217-C269 HydrophobicContact CB-CB 3.98Å; C265-C269 PolarHBondContact O-N 2.68Å; C269-F272 HydrophobicContact CB-CD1 4.49Å; C269-F272 HydrophobicContact CB-CE1 3.77Å; C269-F272 HydrophobicContact CB-CE2 4.04Å; C269-F272 HydrophobicContact CB-CZ 3.5Å; C269-F272 WeakPolarHBondContact O-CE2 3.4Å; C269-F272 VanDerWaalsContact O-CZ 3.29Å; C269-F272 WeakPolarHBondContact O-CZ 3.32Å; C269-P291 WeakPolarHBondContact O-CD 3.18Å; C269-P291 WeakPolarHBondContact O-CG 3.26Å | ||
| 270 | S | 98.5 | Very high | 97.8 | Very high | 28 Ų | 28 | 44.7 Ų | 44.7 | 20% | 0.196 | 24% | 0.237 | C | C | . | . | S | Bend | trans | -116.2 | -9.2 | 177.8 | 55.8 | 0 | 0 | 0 | 0 | 112.7 | K214 F215 S294 I295 | K214-S270 VanDerWaalsContact CD-OG 3.28Å; K214-S270 WeakPolarHBondContact CD-OG 3.16Å; F215-S270 PolarHBondContact O-N 3.31Å; F215-S270 PolarHBondContact O-OG 3.44Å; S270-S294 WeakPolarHBondContact O-CA 3.28Å; S270-I295 PolarHBondContact O-N 3.16Å |
| 271 | I | 98.9 | Very high | 97.8 | Very high | 1 Ų | 1 | 43.3 Ų | 43.3 | 1% | 0.005 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129 | 129.2 | 174.3 | -59.8 | 175.4 | 0 | 0 | 0 | 107 | I203 I211 K214 F215 A216 C217 L232 I295 | I203-I271 HydrophobicContact CD1-CG2 4.19Å; I211-I271 HydrophobicContact CD1-CD1 3.62Å; K214-I271 HydrophobicContact CB-CD1 4.07Å; K214-I271 HydrophobicContact CG-CD1 4.16Å; F215-I271 PolarHBondContact O-N 3.44Å; A216-I271 CarbonylContact C-O 3.55Å; A216-I271 VanDerWaalsContact CA-O 3.27Å; A216-I271 WeakPolarHBondContact CA-O 3.41Å; A216-I271 HydrophobicContact CB-CB 3.99Å; A216-I271 HydrophobicContact CB-CG2 4.41Å; C217-I271 PolarHBondContact N-O 3.48Å; L232-I271 HydrophobicContact CD2-CG2 4.47Å; I271-I295 CarbonylContact C-O 3.57Å; I271-I295 WeakPolarHBondContact CA-O 3.35Å |
| 272 | F | 98.9 | Very high | 97.8 | Very high | 0 Ų | 0 | 39.6 Ų | 39.6 | 0% | 0 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.5 | 125.3 | 179.1 | -62.2 | -95.8 | 0 | 0 | 0 | 109 | C217 M262 A266 C269 I282 M290 I295 V296 C297 | C217-F272 HydrophobicContact CB-CD1 3.55Å; C217-F272 HydrophobicContact CB-CE1 3.83Å; C217-F272 HydrophobicContact CB-CG 4.38Å; C217-F272 WeakPolarHBondContact O-CA 3.45Å; M262-F272 HydrophobicContact SD-CD1 4.24Å; M262-F272 HydrophobicContact SD-CE1 4.33Å; A266-F272 WeakPolarHBondContact O-CZ 3.5Å; C269-F272 HydrophobicContact CB-CD1 4.49Å; C269-F272 HydrophobicContact CB-CE1 3.77Å; C269-F272 HydrophobicContact CB-CE2 4.04Å; C269-F272 HydrophobicContact CB-CZ 3.5Å; C269-F272 WeakPolarHBondContact O-CE2 3.4Å; C269-F272 VanDerWaalsContact O-CZ 3.29Å; C269-F272 WeakPolarHBondContact O-CZ 3.32Å; F272-I282 HydrophobicContact CB-CD1 3.81Å; F272-I282 HydrophobicContact CG-CD1 4.46Å; F272-M290 HydrophobicContact CB-CE 4.45Å; F272-M290 HydrophobicContact CD1-CE 3.76Å; F272-M290 HydrophobicContact CD2-CE 3.66Å; F272-M290 HydrophobicContact CD2-SD 3.77Å; F272-M290 HydrophobicContact CE1-CE 3.83Å; F272-M290 HydrophobicContact CE2-CE 3.73Å; F272-M290 HydrophobicContact CE2-CG 3.77Å; F272-M290 HydrophobicContact CE2-SD 3.61Å; F272-M290 HydrophobicContact CG-CE 3.69Å; F272-M290 HydrophobicContact CG-SD 4.4Å; F272-M290 HydrophobicContact CZ-CE 3.81Å; F272-M290 HydrophobicContact CZ-CG 3.87Å; F272-M290 HydrophobicContact CZ-SD 4.12Å; F272-I295 PolarHBondContact N-O 2.9Å; F272-V296 HydrophobicContact CB-CG1 4.4Å; F272-V296 HydrophobicContact CB-CG2 4.42Å; F272-V296 HydrophobicContact CD2-CG2 4.3Å; F272-C297 PolarHBondContact O-N 2.94Å |
| 273 | V | 98.9 | Very high | 97.8 | Very high | 1 Ų | 1 | 40.9 Ų | 40.9 | 1% | 0.006 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.7 | 124.9 | 175.3 | 59.7 | 0 | 0 | 0 | 0 | 109.8 | C217 V218 C219 C228 L232 T275 C297 V299 | C217-V273 PolarHBondContact O-N 2.85Å; V218-V273 HydrophobicContact CB-CG1 4.08Å; V218-V273 HydrophobicContact CG1-CG1 4.11Å; V218-V273 HydrophobicContact CG2-CG1 3.68Å; C219-V273 PolarHBondContact N-O 2.9Å; C219-V273 PolarHBondContact SG-O 3.07Å; C228-V273 HydrophobicContact CB-CG1 4.32Å; L232-V273 HydrophobicContact CD1-CG1 4.3Å; V273-T275 HydrophobicContact CG2-CG2 4.01Å; V273-C297 WeakPolarHBondContact CA-O 3.41Å; V273-V299 HydrophobicContact CG2-CG1 4.45Å; V273-V299 HydrophobicContact CG2-CG2 3.66Å |
| 274 | T | 98.9 | Very high | 97.8 | Very high | 0 Ų | 0 | 36.8 Ų | 36.8 | 0% | 0 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.4 | 131.8 | 177.3 | 51 | 0 | 0 | 0 | 0 | 110.4 | C219 V281 I282 C297 N298 V299 G300 E305 I306 | C219-T274 HydrophobicContact CB-CG2 4.18Å; T274-V281 HydrophobicContact CG2-CB 4.16Å; T274-V281 HydrophobicContact CG2-CG1 3.91Å; T274-I282 HydrophobicContact CG2-CD1 3.56Å; T274-I282 HydrophobicContact CG2-CG1 3.79Å; T274-C297 PolarHBondContact N-O 3.39Å; T274-C297 PolarHBondContact OG1-O 3.2Å; T274-N298 PolarHBondContact O-OD1 2.85Å; T274-N298 WeakPolarHBondContact OG1-CA 3.3Å; T274-N298 VanDerWaalsContact OG1-CB 3.29Å; T274-N298 WeakPolarHBondContact OG1-CB 3.29Å; T274-N298 PolarHBondContact OG1-OD1 3.43Å; T274-V299 PolarHBondContact O-N 3.26Å; T274-G300 PolarHBondContact O-N 2.92Å; T274-E305 WeakPolarHBondContact CB-OE2 3.2Å; T274-E305 HydrophobicContact CG2-CB 4.13Å; T274-I306 HydrophobicContact CG2-CG1 4.12Å |
| 275 | T | 97.9 | Very high | 97.8 | Very high | 14 Ų | 14 | 40.8 Ų | 40.8 | 9% | 0.086 | 21% | 0.211 | C | C | . | . | trans | -140.9 | 20.3 | -171.9 | 73.6 | 0 | 0 | 0 | 0 | 112.9 | V218 C219 G220 V224 G225 C228 V273 V299 E305 | V218-T275 HydrophobicContact CG1-CG2 4.25Å; C219-T275 WeakPolarHBondContact O-CA 3.36Å; C219-T275 WeakPolarHBondContact O-CB 3.31Å; C219-T275 PolarHBondContact O-N 3.35Å; C219-T275 PolarHBondContact O-OG1 3.09Å; G220-T275 PolarHBondContact O-OG1 2.94Å; G220-T275 VanDerWaalsContact O-OG1 3.09Å; V224-T275 HydrophobicContact CG1-CG2 3.9Å; G225-T275 WeakPolarHBondContact CA-OG1 3.49Å; C228-T275 HydrophobicContact CB-CG2 4.42Å; V273-T275 HydrophobicContact CG2-CG2 4.01Å; T275-V299 HydrophobicContact CG2-CG2 3.73Å; T275-E305 PolarHBondContact N-OE2 3.41Å | ||
| 276 | T | 96.4 | Very high | 97.8 | Very high | 52 Ų | 52 | 41.2 Ų | 41.2 | 32% | 0.319 | 21% | 0.213 | S | C | . | . | S | Bend | trans | -92.8 | -24.4 | -163 | 70.2 | 0 | 0 | 0 | 0 | 114 | C219 C278 V281 E305 | C219-T276 HydrophobicContact CB-CG2 4.11Å; C219-T276 VanDerWaalsContact O-CG2 3.23Å; C219-T276 WeakPolarHBondContact O-CG2 3.34Å; T276-C278 PolarHBondContact O-N 3.28Å; T276-C278 WeakPolarHBondContact OG1-CA 3.34Å; T276-C278 VanDerWaalsContact OG1-CB 3.29Å; T276-C278 WeakPolarHBondContact OG1-CB 3.48Å; T276-C278 PolarHBondContact OG1-N 3.42Å; T276-C278 PolarHBondContact OG1-O 3.18Å; T276-V281 HydrophobicContact CG2-CG1 4.23Å; T276-V281 HydrophobicContact CG2-CG2 3.98Å; T276-V281 VanDerWaalsContact OG1-CG2 3.27Å; T276-V281 WeakPolarHBondContact OG1-CG2 3.29Å; T276-E305 WeakPolarHBondContact CB-OE2 3.4Å; T276-E305 PolarHBondContact N-OE1 2.8Å; T276-E305 VanDerWaalsContact N-OE1 3.13Å; T276-E305 PolarHBondContact N-OE2 2.66Å; T276-E305 VanDerWaalsContact OG1-CD 3.28Å; T276-E305 PolarHBondContact OG1-OE2 2.72Å |
| 277 | G | 92 | Very high | 97.8 | Very high | 51 Ų | 51 | 41.1 Ų | 41.1 | 53% | 0.526 | 21% | 0.212 | S | C | . | . | S | Bend | trans | 64 | 16.2 | -164.7 | 0 | 0 | 0 | 0 | 0 | 113.6 | E305 | G277-E305 WeakPolarHBondContact CA-OE1 3.27Å; G277-E305 PolarHBondContact N-OE1 2.81Å |
| 278 | C | 94 | Very high | 97.8 | Very high | 67 Ų | 67 | 39.8 Ų | 39.8 | 45% | 0.453 | 21% | 0.206 | S | C | . | . | trans | -115.7 | 150.7 | -177.7 | -165.9 | 0 | 0 | 0 | 0 | 110.9 | T276 V281 E305 | T276-C278 PolarHBondContact O-N 3.28Å; T276-C278 WeakPolarHBondContact OG1-CA 3.34Å; T276-C278 VanDerWaalsContact OG1-CB 3.29Å; T276-C278 WeakPolarHBondContact OG1-CB 3.48Å; T276-C278 PolarHBondContact OG1-N 3.42Å; T276-C278 PolarHBondContact OG1-O 3.18Å; C278-V281 HydrophobicContact CB-CG2 4.48Å; C278-V281 WeakPolarHBondContact O-CG2 3.49Å; C278-E305 WeakPolarHBondContact O-CA 3.23Å; C278-E305 VanDerWaalsContact O-CG 3.3Å; C278-E305 WeakPolarHBondContact O-CG 3.35Å | ||
| 279 | R | 95.3 | Very high | 97.8 | Very high | 170 Ų | 170 | 39.6 Ų | 39.6 | 64% | 0.642 | 21% | 0.21 | S | C | * | . | S | Bend | trans | -78.6 | 158.3 | 177.4 | 58.8 | 177.5 | -69.3 | 163.2 | 6.3 | 112.3 | V281 V304 | R279-V281 PolarHBondContact O-N 2.76Å; R279-V304 VanDerWaalsContact CA-O 3.3Å; R279-V304 WeakPolarHBondContact CA-O 3.44Å; R279-V304 HydrophobicContact CB-CB 4.25Å; R279-V304 HydrophobicContact CB-CG2 4.23Å |
| 280 | D | 97.2 | Very high | 97.7 | Very high | 78 Ų | 78 | 39.6 Ų | 39.6 | 42% | 0.417 | 21% | 0.21 | S | C | . | . | S | Bend | trans | 60.8 | 38.2 | 168.1 | -50.1 | -44.2 | 0 | 0 | 0 | 114.2 | I283 V304 | D280-I283 HydrophobicContact CB-CG2 3.88Å; D280-V304 PolarHBondContact N-O 3.45Å |
| 281 | V | 98.4 | Very high | 97.8 | Very high | 24 Ų | 24 | 40.3 Ų | 40.3 | 15% | 0.145 | 21% | 0.214 | C | C | . | . | S | Bend | trans | -78.2 | -47 | 179.8 | -177 | 0 | 0 | 0 | 0 | 111 | C219 M262 T274 T276 C278 R279 H286 E305 | C219-V281 HydrophobicContact CB-CG1 3.54Å; M262-V281 HydrophobicContact CE-CG1 4.39Å; T274-V281 HydrophobicContact CG2-CB 4.16Å; T274-V281 HydrophobicContact CG2-CG1 3.91Å; T276-V281 HydrophobicContact CG2-CG1 4.23Å; T276-V281 HydrophobicContact CG2-CG2 3.98Å; T276-V281 VanDerWaalsContact OG1-CG2 3.27Å; T276-V281 WeakPolarHBondContact OG1-CG2 3.29Å; C278-V281 HydrophobicContact CB-CG2 4.48Å; C278-V281 WeakPolarHBondContact O-CG2 3.49Å; R279-V281 PolarHBondContact O-N 2.76Å; V281-H286 PolarHBondContact O-ND1 3.03Å; V281-E305 WeakPolarHBondContact CA-O 3.37Å; V281-E305 HydrophobicContact CB-CB 4.34Å; V281-E305 VanDerWaalsContact CB-O 3.32Å; V281-E305 WeakPolarHBondContact CB-O 3.48Å; V281-E305 HydrophobicContact CG2-CB 4.08Å; V281-E305 PolarHBondContact N-O 3.43Å |
| 282 | I | 98.8 | Very high | 97.8 | Very high | 0 Ų | 0 | 44.4 Ų | 44.4 | 0% | 0 | 24% | 0.236 | C | C | . | . | B | Isolated β-bridge | trans | -115.2 | 109.5 | 173.2 | -61.2 | 179.8 | 0 | 0 | 0 | 107.9 | M262 F272 T274 H286 L287 M290 V296 E305 I306 D307 | M262-I282 HydrophobicContact CE-CG1 4.41Å; M262-I282 HydrophobicContact SD-CG1 4.41Å; F272-I282 HydrophobicContact CB-CD1 3.81Å; F272-I282 HydrophobicContact CG-CD1 4.46Å; T274-I282 HydrophobicContact CG2-CD1 3.56Å; T274-I282 HydrophobicContact CG2-CG1 3.79Å; I282-H286 HydrophobicContact CG2-CB 4.41Å; I282-L287 HydrophobicContact CG2-CD1 4.48Å; I282-L287 HydrophobicContact CG2-CD2 3.73Å; I282-L287 HydrophobicContact CG2-CG 3.82Å; I282-M290 HydrophobicContact CD1-CE 4.42Å; I282-M290 HydrophobicContact CG2-CE 3.83Å; I282-V296 HydrophobicContact CD1-CG1 3.8Å; I282-V296 HydrophobicContact CG2-CG1 4.46Å; I282-E305 PolarHBondContact N-O 2.78Å; I282-I306 HydrophobicContact CB-CG1 4.35Å; I282-I306 HydrophobicContact CB-CG2 4.49Å; I282-I306 HydrophobicContact CD1-CG1 4.48Å; I282-D307 PolarHBondContact O-N 2.95Å |
| 283 | I | 98.7 | Very high | 97.7 | Very high | 39 Ų | 39 | 47.1 Ų | 47.1 | 20% | 0.2 | 25% | 0.25 | C | S | . | . | trans | -116.6 | 172.9 | -177.9 | 64 | 175.8 | 0 | 0 | 0 | 110.9 | D280 R285 H286 L287 D307 | D280-I283 HydrophobicContact CB-CG2 3.88Å; I283-R285 VanDerWaalsContact C-N 3.27Å; I283-R285 HydrophobicContact CD1-CG 4.05Å; I283-R285 HydrophobicContact CG1-CG 3.97Å; I283-R285 PolarHBondContact O-N 3.09Å; I283-R285 VanDerWaalsContact O-N 3.09Å; I283-H286 PolarHBondContact N-ND1 3.35Å; I283-H286 WeakPolarHBondContact O-CA 3.33Å; I283-H286 WeakPolarHBondContact O-CB 3.41Å; I283-H286 PolarHBondContact O-N 2.88Å; I283-L287 PolarHBondContact O-N 3.47Å; I283-L287 VanDerWaalsContact O-N 3.14Å; I283-D307 HydrophobicContact CB-CB 4.48Å; I283-D307 HydrophobicContact CG2-CB 4.4Å | ||
| 284 | G | 98.4 | Very high | 97.7 | Very high | 5 Ų | 5 | 47.1 Ų | 47.1 | 5% | 0.052 | 25% | 0.25 | C | S | . | . | H | α-helix | trans | -48.9 | -40.2 | -175.9 | 0 | 0 | 0 | 0 | 0 | 115.9 | H286 L287 A288 | G284-H286 VanDerWaalsContact C-N 3.26Å; G284-H286 PolarHBondContact O-N 2.96Å; G284-L287 PolarHBondContact O-N 3.5Å; G284-A288 WeakPolarHBondContact O-CB 3.45Å; G284-A288 PolarHBondContact O-N 3.04Å |
| 285 | R | 98.2 | Very high | 97.7 | Very high | 157 Ų | 157 | 47.4 Ų | 47.4 | 59% | 0.592 | 25% | 0.252 | S | S | * | . | H | α-helix | trans | -64.8 | -28.6 | 177.8 | 84.3 | -173 | 177.1 | -167.4 | -3.7 | 113.4 | E263 I283 E289 | E263-R285 IonicContact OE1-CZ 3.48Å; E263-R285 IonicContact OE1-NE 3.95Å; E263-R285 IonicContact OE1-NH2 3.87Å; E263-R285 PolarHBondContact OE1-NH2 2.89Å; I283-R285 VanDerWaalsContact C-N 3.27Å; I283-R285 HydrophobicContact CD1-CG 4.05Å; I283-R285 HydrophobicContact CG1-CG 3.97Å; I283-R285 PolarHBondContact O-N 3.09Å; I283-R285 VanDerWaalsContact O-N 3.09Å; R285-E289 WeakPolarHBondContact O-CG 3.33Å |
| 286 | H | 98.8 | Very high | 97.8 | Very high | 8 Ų | 8 | 46.7 Ų | 46.7 | 4% | 0.037 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -78.8 | -48.6 | 176.6 | -53.9 | 150 | 0 | 0 | 0 | 109.5 | M262 E263 A266 V281 I282 I283 G284 A288 E289 M290 | M262-H286 HydrophobicContact CG-CB 4.22Å; M262-H286 VanDerWaalsContact CG-ND1 3.29Å; M262-H286 WeakPolarHBondContact CG-ND1 3.49Å; E263-H286 IonicContact OE1-NE2 3.87Å; E263-H286 PolarHBondContact OE1-NE2 2.87Å; A266-H286 HydrophobicContact CB-CB 4.08Å; V281-H286 PolarHBondContact O-ND1 3.03Å; I282-H286 HydrophobicContact CG2-CB 4.41Å; I283-H286 PolarHBondContact N-ND1 3.35Å; I283-H286 WeakPolarHBondContact O-CA 3.33Å; I283-H286 WeakPolarHBondContact O-CB 3.41Å; I283-H286 PolarHBondContact O-N 2.88Å; G284-H286 VanDerWaalsContact C-N 3.26Å; G284-H286 PolarHBondContact O-N 2.96Å; H286-A288 VanDerWaalsContact C-N 3.27Å; H286-A288 PolarHBondContact O-N 3.14Å; H286-E289 PolarHBondContact O-N 3.26Å; H286-M290 WeakPolarHBondContact O-CG 3.39Å; H286-M290 PolarHBondContact O-N 2.91Å |
| 287 | L | 98.7 | Very high | 97.9 | Very high | 0 Ų | 0 | 44.2 Ų | 44.2 | 0% | 0 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -56.6 | -40.7 | 179.2 | -67.7 | 165 | 0 | 0 | 0 | 112 | I282 I283 G284 E289 M290 V296 W310 L311 I336 | I282-L287 HydrophobicContact CG2-CD1 4.48Å; I282-L287 HydrophobicContact CG2-CD2 3.73Å; I282-L287 HydrophobicContact CG2-CG 3.82Å; I283-L287 PolarHBondContact O-N 3.47Å; I283-L287 VanDerWaalsContact O-N 3.14Å; G284-L287 PolarHBondContact O-N 3.5Å; L287-E289 PolarHBondContact O-N 2.74Å; L287-M290 HydrophobicContact CD2-CE 4.17Å; L287-M290 HydrophobicContact CD2-SD 4.03Å; L287-M290 PolarHBondContact O-N 3.48Å; L287-V296 HydrophobicContact CD2-CG2 4.28Å; L287-W310 HydrophobicContact CB-CE3 4.26Å; L287-W310 HydrophobicContact CB-CH2 4.49Å; L287-W310 HydrophobicContact CB-CZ3 3.79Å; L287-W310 HydrophobicContact CD1-CE3 3.71Å; L287-W310 HydrophobicContact CD1-CZ3 4.08Å; L287-L311 HydrophobicContact CD1-CD1 4.25Å; L287-L311 HydrophobicContact CD1-CD2 4Å; L287-L311 HydrophobicContact CD1-CG 3.82Å; L287-L311 HydrophobicContact CD2-CD1 4.5Å; L287-L311 HydrophobicContact CD2-CD2 4.49Å; L287-I336 HydrophobicContact CD2-CD1 4.49Å; L287-I336 HydrophobicContact CD2-CG1 4.48Å; L287-I336 HydrophobicContact CD2-CG2 4.26Å |
| 288 | A | 98.3 | Very high | 98.2 | Very high | 26 Ų | 26 | 41.8 Ų | 41.8 | 22% | 0.215 | 21% | 0.207 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -62.9 | -26.1 | 177.6 | 0 | 0 | 0 | 0 | 0 | 113.6 | G284 H286 W310 N332 R334 | G284-A288 WeakPolarHBondContact O-CB 3.45Å; G284-A288 PolarHBondContact O-N 3.04Å; H286-A288 VanDerWaalsContact C-N 3.27Å; H286-A288 PolarHBondContact O-N 3.14Å; A288-W310 HydrophobicContact CB-CH2 4.31Å; A288-N332 PolarHBondContact O-ND2 3.24Å; A288-R334 PolarHBondContact O-NH2 3.38Å |
| 289 | E | 98.7 | Very high | 98.4 | Very high | 110 Ų | 110 | 39 Ų | 39 | 51% | 0.514 | 19% | 0.188 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -94.3 | -10 | -177.7 | -66.5 | -58.5 | 136.8 | 0 | 0 | 113.4 | A266 P267 R285 H286 L287 | A266-E289 HydrophobicContact CB-CB 4.4Å; P267-E289 WeakPolarHBondContact CA-O 3.37Å; P267-E289 HydrophobicContact CB-CB 4.46Å; R285-E289 WeakPolarHBondContact O-CG 3.33Å; H286-E289 PolarHBondContact O-N 3.26Å; L287-E289 PolarHBondContact O-N 2.74Å |
| 290 | M | 98.8 | Very high | 98.1 | Very high | 1 Ų | 1 | 31.3 Ų | 31.3 | 1% | 0.005 | 16% | 0.161 | C | C | . | . | S | Bend | trans | -65.3 | 145.7 | -176.1 | -73.4 | -178.5 | -177.9 | 0 | 0 | 112.9 | A266 F272 I282 H286 L287 V296 R334 I336 | A266-M290 WeakPolarHBondContact O-CA 3.37Å; F272-M290 HydrophobicContact CB-CE 4.45Å; F272-M290 HydrophobicContact CD1-CE 3.76Å; F272-M290 HydrophobicContact CD2-CE 3.66Å; F272-M290 HydrophobicContact CD2-SD 3.77Å; F272-M290 HydrophobicContact CE1-CE 3.83Å; F272-M290 HydrophobicContact CE2-CE 3.73Å; F272-M290 HydrophobicContact CE2-CG 3.77Å; F272-M290 HydrophobicContact CE2-SD 3.61Å; F272-M290 HydrophobicContact CG-CE 3.69Å; F272-M290 HydrophobicContact CG-SD 4.4Å; F272-M290 HydrophobicContact CZ-CE 3.81Å; F272-M290 HydrophobicContact CZ-CG 3.87Å; F272-M290 HydrophobicContact CZ-SD 4.12Å; I282-M290 HydrophobicContact CD1-CE 4.42Å; I282-M290 HydrophobicContact CG2-CE 3.83Å; H286-M290 WeakPolarHBondContact O-CG 3.39Å; H286-M290 PolarHBondContact O-N 2.91Å; L287-M290 HydrophobicContact CD2-CE 4.17Å; L287-M290 HydrophobicContact CD2-SD 4.03Å; L287-M290 PolarHBondContact O-N 3.48Å; M290-V296 HydrophobicContact CE-CG2 4.11Å; M290-V296 HydrophobicContact SD-CG2 3.65Å; M290-R334 VanDerWaalsContact O-CD 3.28Å; M290-R334 WeakPolarHBondContact O-CD 3.4Å; M290-R334 PolarHBondContact O-NE 3.11Å; M290-I336 HydrophobicContact CB-CD1 3.76Å; M290-I336 HydrophobicContact CG-CD1 4.37Å; M290-I336 HydrophobicContact SD-CD1 3.84Å |
| 291 | P | 98.7 | Very high | 97.2 | Very high | 43 Ų | 43 | 28.8 Ų | 28.8 | 28% | 0.279 | 15% | 0.147 | S | C | . | . | P | Polyproline II helix | trans | -54.3 | 154.6 | 168.3 | -25.2 | 34 | 0 | 0 | 0 | 112.7 | A266 C269 S294 | A266-P291 WeakPolarHBondContact O-CD 3.28Å; C269-P291 WeakPolarHBondContact O-CD 3.18Å; C269-P291 WeakPolarHBondContact O-CG 3.26Å; P291-S294 WeakPolarHBondContact CD-OG 3.33Å; P291-S294 WeakPolarHBondContact O-CB 3.36Å; P291-S294 PolarHBondContact O-N 2.91Å; P291-S294 PolarHBondContact O-OG 2.9Å |
| 292 | D | 98.8 | Very high | 96.5 | Very high | 86 Ų | 86 | 30.6 Ų | 30.6 | 46% | 0.46 | 15% | 0.153 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -58 | 138.2 | 177.2 | -166.1 | 37.1 | 0 | 0 | 0 | 111.2 | S294 R334 H335 | D292-S294 VanDerWaalsContact C-N 3.26Å; D292-S294 PolarHBondContact O-N 3.43Å; D292-R334 HydrophobicContact CB-CB 4.35Å; D292-R334 HydrophobicContact CB-CG 4.22Å; D292-R334 VanDerWaalsContact OD1-CA 3.3Å; D292-R334 WeakPolarHBondContact OD1-CA 3.28Å; D292-H335 IonicContact OD1-CG 2.84Å; D292-H335 PolarHBondContact OD1-N 2.95Å; D292-H335 IonicContact OD1-ND1 3.72Å; D292-H335 PolarHBondContact OD1-ND1 2.89Å |
| 293 | D | 98.8 | Very high | 96.2 | Very high | 58 Ų | 58 | 33.6 Ų | 33.6 | 31% | 0.31 | 17% | 0.169 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 56 | 34 | -174.6 | -76.3 | -38 | 0 | 0 | 0 | 114.8 | I295 R327 H335 I337 | D293-I295 PolarHBondContact O-N 3.31Å; D293-R327 VanDerWaalsContact CG-NH2 3.27Å; D293-R327 IonicContact OD1-CZ 3.54Å; D293-R327 VanDerWaalsContact OD1-CZ 3.25Å; D293-R327 IonicContact OD1-NE 2.88Å; D293-R327 PolarHBondContact OD1-NE 2.78Å; D293-R327 IonicContact OD1-NH2 3.22Å; D293-R327 PolarHBondContact OD1-NH2 3.05Å; D293-R327 IonicContact OD2-CZ 3.25Å; D293-R327 IonicContact OD2-NE 2.72Å; D293-R327 IonicContact OD2-NH2 2.96Å; D293-R327 PolarHBondContact OD2-NH2 3.01Å; D293-H335 PolarHBondContact N-O 2.85Å; D293-H335 WeakPolarHBondContact OD1-CB 3.28Å; D293-I337 HydrophobicContact CB-CD1 4.05Å |
| 294 | S | 98.9 | Very high | 96 | Very high | 0 Ų | 0 | 35.1 Ų | 35.1 | 0% | 0 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -62.5 | 130.2 | 169.6 | -69.3 | 0 | 0 | 0 | 0 | 111.1 | S270 P291 D292 I337 | S270-S294 WeakPolarHBondContact O-CA 3.28Å; P291-S294 WeakPolarHBondContact CD-OG 3.33Å; P291-S294 WeakPolarHBondContact O-CB 3.36Å; P291-S294 PolarHBondContact O-N 2.91Å; P291-S294 PolarHBondContact O-OG 2.9Å; D292-S294 VanDerWaalsContact C-N 3.26Å; D292-S294 PolarHBondContact O-N 3.43Å; S294-I337 PolarHBondContact O-N 2.59Å |
| 295 | I | 98.9 | Very high | 96 | Very high | 6 Ų | 6 | 34.9 Ų | 34.9 | 3% | 0.031 | 18% | 0.178 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.7 | 124.7 | 176.8 | -62.5 | 166 | 0 | 0 | 0 | 108.6 | T207 V209 S270 I271 F272 D293 I337 L339 | T207-I295 HydrophobicContact CG2-CD1 3.95Å; T207-I295 HydrophobicContact CG2-CG1 4.32Å; T207-I295 HydrophobicContact CG2-CG2 4.5Å; V209-I295 HydrophobicContact CB-CD1 3.77Å; V209-I295 HydrophobicContact CG1-CD1 3.65Å; V209-I295 HydrophobicContact CG2-CD1 3.86Å; S270-I295 PolarHBondContact O-N 3.16Å; I271-I295 CarbonylContact C-O 3.57Å; I271-I295 WeakPolarHBondContact CA-O 3.35Å; F272-I295 PolarHBondContact N-O 2.9Å; D293-I295 PolarHBondContact O-N 3.31Å; I295-I337 WeakPolarHBondContact CA-O 3.35Å; I295-I337 HydrophobicContact CG1-CB 4.18Å; I295-I337 HydrophobicContact CG1-CD1 4.27Å; I295-I337 HydrophobicContact CG1-CG2 4.4Å; I295-L339 HydrophobicContact CG2-CD1 3.92Å; I295-L339 HydrophobicContact CG2-CD2 4.42Å; I295-L339 HydrophobicContact CG2-CG 4.06Å |
| 296 | V | 98.9 | Very high | 96 | Very high | 0 Ų | 0 | 27.6 Ų | 27.6 | 0% | 0 | 15% | 0.151 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.3 | 123.2 | -179.3 | -172 | 0 | 0 | 0 | 0 | 108.9 | F272 I282 L287 M290 I306 I336 I337 L338 L339 | F272-V296 HydrophobicContact CB-CG1 4.4Å; F272-V296 HydrophobicContact CB-CG2 4.42Å; F272-V296 HydrophobicContact CD2-CG2 4.3Å; I282-V296 HydrophobicContact CD1-CG1 3.8Å; I282-V296 HydrophobicContact CG2-CG1 4.46Å; L287-V296 HydrophobicContact CD2-CG2 4.28Å; M290-V296 HydrophobicContact CE-CG2 4.11Å; M290-V296 HydrophobicContact SD-CG2 3.65Å; V296-I306 HydrophobicContact CG1-CD1 3.81Å; V296-I306 HydrophobicContact CG1-CG1 4.22Å; V296-I306 HydrophobicContact CG1-CG2 4.28Å; V296-I336 HydrophobicContact CB-CG2 4.38Å; V296-I336 HydrophobicContact CG2-CG2 3.79Å; V296-I337 PolarHBondContact N-O 3.27Å; V296-L338 HydrophobicContact CB-CD1 4.43Å; V296-L339 PolarHBondContact O-N 3.42Å; V296-L339 VanDerWaalsContact O-N 3.08Å |
| 297 | C | 98.8 | Very high | 96 | Very high | 0 Ų | 0 | 29.5 Ų | 29.5 | 0% | 0 | 16% | 0.161 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.8 | 160.4 | 178 | 71.4 | 0 | 0 | 0 | 0 | 112.9 | F272 V273 T274 L339 A345 | F272-C297 PolarHBondContact O-N 2.94Å; V273-C297 WeakPolarHBondContact CA-O 3.41Å; T274-C297 PolarHBondContact N-O 3.39Å; T274-C297 PolarHBondContact OG1-O 3.2Å; C297-L339 HydrophobicContact CB-CB 3.86Å; C297-L339 HydrophobicContact CB-CD1 3.88Å; C297-L339 HydrophobicContact CB-CG 4.02Å; C297-A345 HydrophobicContact CB-CB 3.85Å |
| 298 | N | 98.5 | Very high | 95.9 | Very high | 0 Ų | 0 | 30.6 Ų | 30.6 | 0% | 0 | 17% | 0.168 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.7 | 139.4 | 175.3 | 174.7 | 33.2 | 0 | 0 | 0 | 109.3 | T274 G300 F302 I306 G342 R343 L344 A345 | T274-N298 PolarHBondContact O-OD1 2.85Å; T274-N298 WeakPolarHBondContact OG1-CA 3.3Å; T274-N298 VanDerWaalsContact OG1-CB 3.29Å; T274-N298 WeakPolarHBondContact OG1-CB 3.29Å; T274-N298 PolarHBondContact OG1-OD1 3.43Å; N298-G300 PolarHBondContact ND2-O 3.4Å; N298-G300 WeakPolarHBondContact OD1-CA 3.36Å; N298-G300 PolarHBondContact OD1-N 2.86Å; N298-G300 PolarHBondContact OD1-O 2.84Å; N298-F302 PolarHBondContact ND2-O 3.13Å; N298-I306 HydrophobicContact CB-CD1 3.82Å; N298-G342 WeakPolarHBondContact CB-O 3.27Å; N298-G342 PolarHBondContact ND2-O 3.22Å; N298-R343 VanDerWaalsContact O-O 3.12Å; N298-L344 CarbonylContact O-C 3.46Å; N298-L344 WeakPolarHBondContact O-CA 3.45Å; N298-A345 PolarHBondContact O-N 2.79Å |
| 299 | V | 97.1 | Very high | 95.9 | Very high | 8 Ų | 8 | 37.9 Ų | 37.9 | 5% | 0.048 | 19% | 0.194 | C | C | . | . | trans | -132.8 | 10.2 | 167.7 | -61.9 | 0 | 0 | 0 | 0 | 112.2 | I195 F199 V224 V273 T274 T275 A345 N346 | I195-V299 HydrophobicContact CD1-CB 3.79Å; I195-V299 HydrophobicContact CD1-CG1 4.1Å; I195-V299 HydrophobicContact CD1-CG2 3.96Å; I195-V299 HydrophobicContact CG1-CG2 4.16Å; F199-V299 HydrophobicContact CB-CG1 3.85Å; V224-V299 HydrophobicContact CG1-CG2 3.9Å; V273-V299 HydrophobicContact CG2-CG1 4.45Å; V273-V299 HydrophobicContact CG2-CG2 3.66Å; T274-V299 PolarHBondContact O-N 3.26Å; T275-V299 HydrophobicContact CG2-CG2 3.73Å; V299-A345 HydrophobicContact CG1-CB 4.3Å; V299-N346 HydrophobicContact CG1-CB 4.42Å | ||
| 300 | G | 90.5 | Very high | 95.9 | Very high | 8 Ų | 8 | 35.7 Ų | 35.7 | 8% | 0.082 | 18% | 0.181 | C | C | . | . | S | Bend | trans | -74.5 | 166.9 | 158.2 | 0 | 0 | 0 | 0 | 0 | 111.6 | T274 N298 F302 E305 L344 | T274-G300 PolarHBondContact O-N 2.92Å; N298-G300 PolarHBondContact ND2-O 3.4Å; N298-G300 WeakPolarHBondContact OD1-CA 3.36Å; N298-G300 PolarHBondContact OD1-N 2.86Å; N298-G300 PolarHBondContact OD1-O 2.84Å; G300-F302 PolarHBondContact O-N 2.76Å; G300-E305 WeakPolarHBondContact CA-OE1 3.42Å; G300-L344 WeakPolarHBondContact O-CG 3.29Å |
| 301 | H | 78.4 | Confident | 95.9 | Very high | 25 Ų | 25 | 35.6 Ų | 35.6 | 12% | 0.116 | 18% | 0.181 | C | C | . | . | S | Bend | trans | -70.1 | -29.7 | -162.6 | -177.4 | 80.1 | 0 | 0 | 0 | 115.4 | D131 G132 T159 L344 | D131-H301 IonicContact OD1-CE1 2.74Å; D131-H301 PolarHBondContact OD1-CE1 2.9Å; D131-H301 IonicContact OD1-ND1 2.77Å; G132-H301 WeakPolarHBondContact CA-CE1 3.26Å; G132-H301 WeakPolarHBondContact CA-NE2 3.34Å; T159-H301 WeakPolarHBondContact OG1-CB 3.36Å; H301-L344 WeakPolarHBondContact O-CD1 3.29Å |
| 302 | F | 83 | Confident | 95.8 | Very high | 62 Ų | 62 | 38.1 Ų | 38.1 | 27% | 0.272 | 19% | 0.189 | S | C | . | . | S | Bend | trans | -122.4 | 155.2 | -179.8 | -68.2 | -49.1 | 0 | 0 | 0 | 112.2 | T159 N298 G300 V304 | T159-F302 HydrophobicContact CG2-CD2 3.7Å; T159-F302 HydrophobicContact CG2-CE2 3.19Å; T159-F302 HydrophobicContact CG2-CZ 4Å; N298-F302 PolarHBondContact ND2-O 3.13Å; G300-F302 PolarHBondContact O-N 2.76Å; F302-V304 HydrophobicContact CB-CG1 4.38Å; F302-V304 HydrophobicContact CB-CG2 4.04Å; F302-V304 PolarHBondContact O-N 3.39Å |
| 303 | D | 91.5 | Very high | 95.8 | Very high | 64 Ų | 64 | 37.8 Ų | 37.8 | 34% | 0.342 | 20% | 0.198 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -77.7 | 34.2 | 178.4 | 62.9 | -28.2 | 0 | 0 | 0 | 114 | G342 R343 | D303-G342 WeakPolarHBondContact CA-O 3.38Å; D303-R343 HydrophobicContact CB-CG 3.73Å; D303-R343 IonicContact OD2-CZ 3.03Å; D303-R343 IonicContact OD2-NE 3.7Å; D303-R343 IonicContact OD2-NH2 2.75Å |
| 304 | V | 94.9 | Very high | 95.8 | Very high | 70 Ų | 70 | 38.8 Ų | 38.8 | 42% | 0.424 | 20% | 0.204 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -106.9 | -10.7 | -178.8 | -59.2 | 0 | 0 | 0 | 0 | 113.1 | R279 D280 F302 I306 | R279-V304 VanDerWaalsContact CA-O 3.3Å; R279-V304 WeakPolarHBondContact CA-O 3.44Å; R279-V304 HydrophobicContact CB-CB 4.25Å; R279-V304 HydrophobicContact CB-CG2 4.23Å; D280-V304 PolarHBondContact N-O 3.45Å; F302-V304 HydrophobicContact CB-CG1 4.38Å; F302-V304 HydrophobicContact CB-CG2 4.04Å; F302-V304 PolarHBondContact O-N 3.39Å; V304-I306 VanDerWaalsContact C-N 3.31Å |
| 305 | E | 98 | Very high | 95.8 | Very high | 1 Ų | 1 | 39.9 Ų | 39.9 | 1% | 0.005 | 21% | 0.213 | C | C | . | . | S | Bend | trans | -71.4 | -30.5 | -179.6 | -50.2 | -147.2 | -160 | 0 | 0 | 111.7 | T274 T275 T276 G277 C278 V281 I282 G300 | T274-E305 WeakPolarHBondContact CB-OE2 3.2Å; T274-E305 HydrophobicContact CG2-CB 4.13Å; T275-E305 PolarHBondContact N-OE2 3.41Å; T276-E305 WeakPolarHBondContact CB-OE2 3.4Å; T276-E305 PolarHBondContact N-OE1 2.8Å; T276-E305 VanDerWaalsContact N-OE1 3.13Å; T276-E305 PolarHBondContact N-OE2 2.66Å; T276-E305 VanDerWaalsContact OG1-CD 3.28Å; T276-E305 PolarHBondContact OG1-OE2 2.72Å; G277-E305 WeakPolarHBondContact CA-OE1 3.27Å; G277-E305 PolarHBondContact N-OE1 2.81Å; C278-E305 WeakPolarHBondContact O-CA 3.23Å; C278-E305 VanDerWaalsContact O-CG 3.3Å; C278-E305 WeakPolarHBondContact O-CG 3.35Å; V281-E305 WeakPolarHBondContact CA-O 3.37Å; V281-E305 HydrophobicContact CB-CB 4.34Å; V281-E305 VanDerWaalsContact CB-O 3.32Å; V281-E305 WeakPolarHBondContact CB-O 3.48Å; V281-E305 HydrophobicContact CG2-CB 4.08Å; V281-E305 PolarHBondContact N-O 3.43Å; I282-E305 PolarHBondContact N-O 2.78Å; G300-E305 WeakPolarHBondContact CA-OE1 3.42Å |
| 306 | I | 98.7 | Very high | 95.7 | Very high | 4 Ų | 4 | 44.2 Ų | 44.2 | 2% | 0.021 | 24% | 0.239 | C | C | . | . | B | Isolated β-bridge | trans | -112.4 | 130.4 | -179.8 | -56.7 | 161.7 | 0 | 0 | 0 | 108.7 | T274 I282 V296 N298 V304 V308 L338 | T274-I306 HydrophobicContact CG2-CG1 4.12Å; I282-I306 HydrophobicContact CB-CG1 4.35Å; I282-I306 HydrophobicContact CB-CG2 4.49Å; I282-I306 HydrophobicContact CD1-CG1 4.48Å; V296-I306 HydrophobicContact CG1-CD1 3.81Å; V296-I306 HydrophobicContact CG1-CG1 4.22Å; V296-I306 HydrophobicContact CG1-CG2 4.28Å; N298-I306 HydrophobicContact CB-CD1 3.82Å; V304-I306 VanDerWaalsContact C-N 3.31Å; I306-V308 HydrophobicContact CB-CG2 4.28Å; I306-V308 HydrophobicContact CG2-CG2 4.05Å; I306-V308 PolarHBondContact O-N 3.33Å; I306-L338 HydrophobicContact CD1-CD1 4.35Å; I306-L338 HydrophobicContact CG2-CD1 4.32Å |
| 307 | D | 98.3 | Very high | 95.7 | Very high | 48 Ų | 48 | 47 Ų | 47 | 26% | 0.257 | 26% | 0.259 | S | S | . | . | trans | -77.1 | 72 | 174.8 | -168.5 | -4.4 | 0 | 0 | 0 | 111.2 | I282 I283 K309 W310 | I282-D307 PolarHBondContact O-N 2.95Å; I283-D307 HydrophobicContact CB-CB 4.48Å; I283-D307 HydrophobicContact CG2-CB 4.4Å; D307-K309 PolarHBondContact O-N 3.2Å; D307-W310 HydrophobicContact CB-CB 4.18Å; D307-W310 VanDerWaalsContact CG-CB 3.45Å; D307-W310 WeakPolarHBondContact O-CB 3.39Å; D307-W310 PolarHBondContact O-N 3.04Å; D307-W310 PolarHBondContact OD1-N 2.86Å; D307-W310 WeakPolarHBondContact OD2-CB 3.33Å | ||
| 308 | V | 98.2 | Very high | 95.7 | Very high | 23 Ų | 23 | 50.6 Ų | 50.6 | 14% | 0.139 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -62.9 | -31.7 | 177.7 | -179 | 0 | 0 | 0 | 0 | 111 | I306 W310 L311 E312 L338 | I306-V308 HydrophobicContact CB-CG2 4.28Å; I306-V308 HydrophobicContact CG2-CG2 4.05Å; I306-V308 PolarHBondContact O-N 3.33Å; V308-W310 VanDerWaalsContact C-N 3.26Å; V308-W310 PolarHBondContact O-N 2.93Å; V308-L311 WeakPolarHBondContact O-CB 3.27Å; V308-L311 PolarHBondContact O-N 2.81Å; V308-L311 VanDerWaalsContact O-N 3.07Å; V308-E312 HydrophobicContact CG1-CG 4.38Å; V308-E312 WeakPolarHBondContact O-CG 3.41Å; V308-E312 PolarHBondContact O-N 3.39Å; V308-L338 HydrophobicContact CB-CD2 4.41Å; V308-L338 HydrophobicContact CG1-CD2 3.75Å; V308-L338 HydrophobicContact CG2-CD1 4.46Å; V308-L338 HydrophobicContact CG2-CD2 3.88Å |
| 309 | K | 98 | Very high | 95.7 | Very high | 178 Ų | 178 | 54.7 Ų | 54.7 | 77% | 0.774 | 30% | 0.296 | S | S | * | . | H | α-helix | trans | -60.6 | -37.9 | 176.1 | -67.6 | -179 | -178 | 175.8 | 0 | 111.7 | D307 E312 A313 | D307-K309 PolarHBondContact O-N 3.2Å; K309-E312 PolarHBondContact O-N 2.95Å; K309-A313 VanDerWaalsContact O-CB 3.31Å; K309-A313 WeakPolarHBondContact O-CB 3.43Å; K309-A313 PolarHBondContact O-N 2.87Å |
| 310 | W | 98.5 | Very high | 95.7 | Very high | 64 Ų | 64 | 58.5 Ų | 58.5 | 24% | 0.242 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -63.2 | -41.7 | 174.1 | -175.9 | 94.1 | 0 | 0 | 0 | 112.2 | L287 A288 D307 V308 A313 N314 L330 | L287-W310 HydrophobicContact CB-CE3 4.26Å; L287-W310 HydrophobicContact CB-CH2 4.49Å; L287-W310 HydrophobicContact CB-CZ3 3.79Å; L287-W310 HydrophobicContact CD1-CE3 3.71Å; L287-W310 HydrophobicContact CD1-CZ3 4.08Å; A288-W310 HydrophobicContact CB-CH2 4.31Å; D307-W310 HydrophobicContact CB-CB 4.18Å; D307-W310 VanDerWaalsContact CG-CB 3.45Å; D307-W310 WeakPolarHBondContact O-CB 3.39Å; D307-W310 PolarHBondContact O-N 3.04Å; D307-W310 PolarHBondContact OD1-N 2.86Å; D307-W310 WeakPolarHBondContact OD2-CB 3.33Å; V308-W310 VanDerWaalsContact C-N 3.26Å; V308-W310 PolarHBondContact O-N 2.93Å; W310-A313 PolarHBondContact O-N 2.93Å; W310-N314 VanDerWaalsContact CD1-ND2 3.31Å; W310-N314 HydrophobicContact CD2-CB 4.17Å; W310-N314 HydrophobicContact CE3-CB 4.49Å; W310-N314 HydrophobicContact CH2-CB 4.33Å; W310-N314 HydrophobicContact CZ2-CB 3.98Å; W310-N314 PolarHBondContact NE1-ND2 3Å; W310-N314 VanDerWaalsContact O-CB 3.3Å; W310-N314 WeakPolarHBondContact O-CB 3.46Å; W310-N314 PolarHBondContact O-N 2.79Å; W310-N314 PolarHBondContact O-ND2 3.37Å; W310-L330 HydrophobicContact CH2-CD2 4.49Å; W310-L330 HydrophobicContact CZ3-CD2 4.13Å |
| 311 | L | 98 | Very high | 96.1 | Very high | 0 Ų | 0 | 62.3 Ų | 62.3 | 0% | 0 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -60.1 | -50.7 | 175.2 | -74.9 | 170.1 | 0 | 0 | 0 | 111.3 | L287 V308 A313 N314 A315 Y328 L330 I336 L338 | L287-L311 HydrophobicContact CD1-CD1 4.25Å; L287-L311 HydrophobicContact CD1-CD2 4Å; L287-L311 HydrophobicContact CD1-CG 3.82Å; L287-L311 HydrophobicContact CD2-CD1 4.5Å; L287-L311 HydrophobicContact CD2-CD2 4.49Å; V308-L311 WeakPolarHBondContact O-CB 3.27Å; V308-L311 PolarHBondContact O-N 2.81Å; V308-L311 VanDerWaalsContact O-N 3.07Å; L311-A313 PolarHBondContact O-N 3.33Å; L311-N314 PolarHBondContact O-N 2.99Å; L311-A315 WeakPolarHBondContact O-CB 3.2Å; L311-A315 PolarHBondContact O-N 3.48Å; L311-Y328 HydrophobicContact CB-CD1 3.99Å; L311-Y328 HydrophobicContact CB-CE1 3.97Å; L311-Y328 HydrophobicContact CB-CG 4.36Å; L311-Y328 HydrophobicContact CD1-CD2 4.36Å; L311-Y328 HydrophobicContact CD1-CE2 4.41Å; L311-Y328 HydrophobicContact CD2-CG 4.38Å; L311-L330 HydrophobicContact CD2-CD2 3.98Å; L311-I336 HydrophobicContact CD1-CG2 4.42Å; L311-I336 HydrophobicContact CD2-CB 4.4Å; L311-I336 HydrophobicContact CD2-CG1 4.37Å; L311-L338 HydrophobicContact CD1-CD1 4.5Å; L311-L338 HydrophobicContact CD1-CD2 4.12Å |
| 312 | E | 97.8 | Very high | 97.1 | Very high | 95 Ų | 95 | 65.1 Ų | 65.1 | 44% | 0.444 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -59.2 | -34.5 | 179.2 | -65.6 | -64.9 | 164.7 | 0 | 0 | 112.5 | V308 K309 K318 Y328 | V308-E312 HydrophobicContact CG1-CG 4.38Å; V308-E312 WeakPolarHBondContact O-CG 3.41Å; V308-E312 PolarHBondContact O-N 3.39Å; K309-E312 PolarHBondContact O-N 2.95Å; E312-K318 IonicContact OE1-NZ 3.92Å; E312-K318 PolarHBondContact OE1-NZ 3.31Å; E312-Y328 PolarHBondContact OE1-OH 2.85Å |
| 313 | A | 98.2 | Very high | 97.8 | Very high | 79 Ų | 79 | 67.2 Ų | 67.2 | 65% | 0.653 | 37% | 0.37 | S | S | * | . | H | α-helix | trans | -86.1 | -24.9 | -178.4 | 0 | 0 | 0 | 0 | 0 | 114.7 | K309 W310 L311 | K309-A313 VanDerWaalsContact O-CB 3.31Å; K309-A313 WeakPolarHBondContact O-CB 3.43Å; K309-A313 PolarHBondContact O-N 2.87Å; W310-A313 PolarHBondContact O-N 2.93Å; L311-A313 PolarHBondContact O-N 3.33Å |
| 314 | N | 98.5 | Very high | 98.1 | Very high | 80 Ų | 80 | 65.7 Ų | 65.7 | 43% | 0.428 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -119.5 | -10.8 | -169.4 | -64 | -93.6 | 0 | 0 | 0 | 114.4 | W310 L311 | W310-N314 VanDerWaalsContact CD1-ND2 3.31Å; W310-N314 HydrophobicContact CD2-CB 4.17Å; W310-N314 HydrophobicContact CE3-CB 4.49Å; W310-N314 HydrophobicContact CH2-CB 4.33Å; W310-N314 HydrophobicContact CZ2-CB 3.98Å; W310-N314 PolarHBondContact NE1-ND2 3Å; W310-N314 VanDerWaalsContact O-CB 3.3Å; W310-N314 WeakPolarHBondContact O-CB 3.46Å; W310-N314 PolarHBondContact O-N 2.79Å; W310-N314 PolarHBondContact O-ND2 3.37Å; L311-N314 PolarHBondContact O-N 2.99Å |
| 315 | A | 98.3 | Very high | 98.2 | Very high | 23 Ų | 23 | 62.6 Ų | 62.6 | 19% | 0.19 | 34% | 0.342 | C | S | . | . | trans | -68.5 | 143.9 | 172.5 | 0 | 0 | 0 | 0 | 0 | 110.9 | L311 S317 Y328 L329 L330 | L311-A315 WeakPolarHBondContact O-CB 3.2Å; L311-A315 PolarHBondContact O-N 3.48Å; A315-S317 VanDerWaalsContact C-N 3.34Å; A315-Y328 HydrophobicContact CB-CD1 3.77Å; A315-Y328 HydrophobicContact CB-CG 4.43Å; A315-L329 CarbonylContact C-O 3.49Å; A315-L329 WeakPolarHBondContact CA-O 3.19Å; A315-L329 WeakPolarHBondContact CB-O 3.49Å; A315-L330 HydrophobicContact CB-CD2 4.36Å | ||
| 316 | V | 98.5 | Very high | 98.3 | Very high | 96 Ų | 96 | 63.1 Ų | 63.1 | 58% | 0.582 | 35% | 0.345 | S | S | * | . | S | Bend | trans | -67.4 | -39.5 | 171.5 | 177.2 | 0 | 0 | 0 | 0 | 110.3 | L329 | V316-L329 HydrophobicContact CB-CD2 4.2Å; V316-L329 HydrophobicContact CB-CG 4.12Å; V316-L329 HydrophobicContact CG1-CD2 4.16Å; V316-L329 PolarHBondContact N-O 2.82Å |
| 317 | S | 98.4 | Very high | 98.3 | Very high | 59 Ų | 59 | 66 Ų | 66 | 41% | 0.413 | 36% | 0.356 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -153.5 | 153 | 174.1 | 61.1 | 0 | 0 | 0 | 0 | 111.4 | A315 Y328 L329 | A315-S317 VanDerWaalsContact C-N 3.34Å; S317-Y328 WeakPolarHBondContact O-CA 3.39Å; S317-L329 PolarHBondContact O-N 3.19Å |
| 318 | K | 98.5 | Very high | 98.3 | Very high | 75 Ų | 75 | 63.8 Ų | 63.8 | 33% | 0.326 | 34% | 0.344 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.2 | 121.3 | 168.5 | 177.6 | -177.4 | -175.9 | 169 | 0 | 108 | E312 D326 Y328 | E312-K318 IonicContact OE1-NZ 3.92Å; E312-K318 PolarHBondContact OE1-NZ 3.31Å; K318-D326 WeakPolarHBondContact CE-OD1 3.23Å; K318-D326 WeakPolarHBondContact CE-OD2 3.45Å; K318-D326 HydrophobicContact CG-CB 4.36Å; K318-D326 IonicContact NZ-OD1 2.89Å; K318-D326 IonicContact NZ-OD2 3.77Å; K318-D326 PolarHBondContact NZ-OD2 3.01Å; K318-Y328 HydrophobicContact CB-CD1 3.99Å; K318-Y328 HydrophobicContact CB-CE1 3.89Å; K318-Y328 HydrophobicContact CD-CE1 3.69Å; K318-Y328 WeakPolarHBondContact CE-OH 3.29Å; K318-Y328 HydrophobicContact CG-CD1 4.12Å; K318-Y328 HydrophobicContact CG-CE1 3.68Å; K318-Y328 HydrophobicContact CG-CE2 4.43Å; K318-Y328 PolarHBondContact NZ-OH 2.89Å; K318-Y328 VanDerWaalsContact NZ-OH 3.13Å |
| 319 | D | 98.2 | Very high | 98.3 | Very high | 87 Ų | 87 | 64.8 Ų | 64.8 | 47% | 0.465 | 35% | 0.348 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.8 | 106.3 | 176.2 | -173.4 | 20.7 | 0 | 0 | 0 | 109.9 | I321 R327 | D319-I321 HydrophobicContact CB-CD1 4.39Å; D319-I321 PolarHBondContact O-N 2.77Å; D319-I321 WeakPolarHBondContact OD2-CD1 3.48Å; D319-R327 HydrophobicContact CB-CB 4.46Å; D319-R327 PolarHBondContact N-O 3.39Å; D319-R327 PolarHBondContact O-N 3.32Å |
| 320 | P | 98 | Very high | 98.4 | Very high | 87 Ų | 87 | 56.6 Ų | 56.6 | 57% | 0.565 | 31% | 0.313 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -72.4 | 104.4 | 175.6 | -13.6 | 29.5 | 0 | 0 | 0 | 110.2 | ||
| 321 | I | 98.5 | Very high | 98.3 | Very high | 89 Ų | 89 | 58.8 Ų | 58.8 | 46% | 0.456 | 34% | 0.338 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.8 | -45.4 | -175.4 | -55.3 | -56.5 | 0 | 0 | 0 | 110.9 | D319 V325 R327 | D319-I321 HydrophobicContact CB-CD1 4.39Å; D319-I321 PolarHBondContact O-N 2.77Å; D319-I321 WeakPolarHBondContact OD2-CD1 3.48Å; I321-V325 HydrophobicContact CB-CB 4.45Å; I321-V325 HydrophobicContact CB-CG1 4.22Å; I321-V325 HydrophobicContact CG1-CG1 4.48Å; I321-V325 PolarHBondContact N-O 3.29Å; I321-R327 HydrophobicContact CD1-CB 3.89Å; I321-R327 HydrophobicContact CG1-CB 3.88Å |
| 322 | K | 98.3 | Very high | 98.3 | Very high | 84 Ų | 84 | 61.9 Ų | 61.9 | 37% | 0.365 | 36% | 0.355 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -163.5 | 172.3 | 175.2 | 68.9 | -175.1 | -176 | -169.1 | 0 | 108.6 | R205 A206 Q324 V325 | R205-K322 WeakPolarHBondContact O-CE 3.23Å; R205-K322 PolarHBondContact O-NZ 3.3Å; A206-K322 WeakPolarHBondContact O-CE 3.21Å; A206-K322 PolarHBondContact O-NZ 3.33Å; K322-Q324 PolarHBondContact O-N 3.1Å; K322-V325 HydrophobicContact CD-CG2 4.44Å; K322-V325 HydrophobicContact CG-CB 3.94Å; K322-V325 HydrophobicContact CG-CG2 3.81Å; K322-V325 PolarHBondContact N-O 3.44Å; K322-V325 PolarHBondContact O-N 3.4Å |
| 323 | P | 97.7 | Very high | 98.4 | Very high | 105 Ų | 105 | 59.7 Ų | 59.7 | 68% | 0.682 | 36% | 0.357 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -49.2 | 129.2 | 177.9 | -28.7 | 36.5 | 0 | 0 | 0 | 112 | V325 | P323-V325 PolarHBondContact O-N 2.91Š|
| 324 | Q | 97.7 | Very high | 98.4 | Very high | 32 Ų | 32 | 59.6 Ų | 59.6 | 15% | 0.15 | 34% | 0.34 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 63.9 | 19 | 179.7 | -68.7 | 66.8 | 56.3 | 0 | 0 | 115.2 | F81 K322 A340 | F81-Q324 HydrophobicContact CD1-CG 4.37Å; F81-Q324 HydrophobicContact CD2-CG 4.24Å; F81-Q324 HydrophobicContact CG-CG 4.16Å; K322-Q324 PolarHBondContact O-N 3.1Å; Q324-A340 HydrophobicContact CB-CB 4.29Å; Q324-A340 HydrophobicContact CG-CB 4.38Å; Q324-A340 PolarHBondContact O-N 3.32Å |
| 325 | V | 98.8 | Very high | 98.4 | Very high | 6 Ų | 6 | 57.4 Ų | 57.4 | 4% | 0.036 | 33% | 0.327 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.7 | 108.2 | 172.4 | -172.5 | 0 | 0 | 0 | 0 | 109.6 | A206 I321 K322 P323 I337 L339 | A206-V325 HydrophobicContact CB-CG2 3.76Å; I321-V325 HydrophobicContact CB-CB 4.45Å; I321-V325 HydrophobicContact CB-CG1 4.22Å; I321-V325 HydrophobicContact CG1-CG1 4.48Å; I321-V325 PolarHBondContact N-O 3.29Å; K322-V325 HydrophobicContact CD-CG2 4.44Å; K322-V325 HydrophobicContact CG-CB 3.94Å; K322-V325 HydrophobicContact CG-CG2 3.81Å; K322-V325 PolarHBondContact N-O 3.44Å; K322-V325 PolarHBondContact O-N 3.4Å; P323-V325 PolarHBondContact O-N 2.91Å; V325-I337 HydrophobicContact CG1-CG2 4.03Å; V325-L339 HydrophobicContact CG1-CD2 4.29Å; V325-L339 HydrophobicContact CG2-CD2 4.4Å |
| 326 | D | 98.8 | Very high | 98.4 | Very high | 12 Ų | 12 | 56.3 Ų | 56.3 | 6% | 0.064 | 32% | 0.318 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.1 | 136.3 | 179.8 | -67 | -54.3 | 0 | 0 | 0 | 110.3 | K318 Y328 I337 L338 | K318-D326 WeakPolarHBondContact CE-OD1 3.23Å; K318-D326 WeakPolarHBondContact CE-OD2 3.45Å; K318-D326 HydrophobicContact CG-CB 4.36Å; K318-D326 IonicContact NZ-OD1 2.89Å; K318-D326 IonicContact NZ-OD2 3.77Å; K318-D326 PolarHBondContact NZ-OD2 3.01Å; D326-Y328 HydrophobicContact CB-CD2 4.27Å; D326-Y328 HydrophobicContact CB-CE2 3.57Å; D326-I337 WeakPolarHBondContact O-CA 3.29Å; D326-L338 PolarHBondContact N-O 3.49Å; D326-L338 VanDerWaalsContact N-O 3.12Å; D326-L338 PolarHBondContact O-N 3Å |
| 327 | R | 98.8 | Very high | 98.5 | Very high | 65 Ų | 65 | 53.1 Ų | 53.1 | 25% | 0.245 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.8 | 112.5 | 175.5 | -170.3 | 175.8 | -174.4 | -108.8 | 1.7 | 109.7 | D293 D319 I321 H335 I336 I337 | D293-R327 VanDerWaalsContact CG-NH2 3.27Å; D293-R327 IonicContact OD1-CZ 3.54Å; D293-R327 VanDerWaalsContact OD1-CZ 3.25Å; D293-R327 IonicContact OD1-NE 2.88Å; D293-R327 PolarHBondContact OD1-NE 2.78Å; D293-R327 IonicContact OD1-NH2 3.22Å; D293-R327 PolarHBondContact OD1-NH2 3.05Å; D293-R327 IonicContact OD2-CZ 3.25Å; D293-R327 IonicContact OD2-NE 2.72Å; D293-R327 IonicContact OD2-NH2 2.96Å; D293-R327 PolarHBondContact OD2-NH2 3.01Å; D319-R327 HydrophobicContact CB-CB 4.46Å; D319-R327 PolarHBondContact N-O 3.39Å; D319-R327 PolarHBondContact O-N 3.32Å; I321-R327 HydrophobicContact CD1-CB 3.89Å; I321-R327 HydrophobicContact CG1-CB 3.88Å; R327-H335 HydrophobicContact CG-CB 4.15Å; R327-H335 PolarHBondContact NH1-CD2 3.16Å; R327-H335 PolarHBondContact NH1-NE2 3.21Å; R327-H335 VanDerWaalsContact NH1-NE2 3.1Å; R327-H335 VanDerWaalsContact NH2-CG 3.29Å; R327-H335 PolarHBondContact NH2-ND1 3.26Å; R327-I336 CarbonylContact C-O 3.58Å; R327-I336 WeakPolarHBondContact CA-O 3.37Å; R327-I337 HydrophobicContact CG-CG1 4.24Å |
| 328 | Y | 98.9 | Very high | 98.5 | Very high | 0 Ų | 0 | 50.3 Ų | 50.3 | 0% | 0 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.8 | 128.8 | -179.4 | -65.3 | -99.2 | 0 | 0 | 0 | 110 | L311 E312 A315 S317 K318 D326 H335 I336 L338 | L311-Y328 HydrophobicContact CB-CD1 3.99Å; L311-Y328 HydrophobicContact CB-CE1 3.97Å; L311-Y328 HydrophobicContact CB-CG 4.36Å; L311-Y328 HydrophobicContact CD1-CD2 4.36Å; L311-Y328 HydrophobicContact CD1-CE2 4.41Å; L311-Y328 HydrophobicContact CD2-CG 4.38Å; E312-Y328 PolarHBondContact OE1-OH 2.85Å; A315-Y328 HydrophobicContact CB-CD1 3.77Å; A315-Y328 HydrophobicContact CB-CG 4.43Å; S317-Y328 WeakPolarHBondContact O-CA 3.39Å; K318-Y328 HydrophobicContact CB-CD1 3.99Å; K318-Y328 HydrophobicContact CB-CE1 3.89Å; K318-Y328 HydrophobicContact CD-CE1 3.69Å; K318-Y328 WeakPolarHBondContact CE-OH 3.29Å; K318-Y328 HydrophobicContact CG-CD1 4.12Å; K318-Y328 HydrophobicContact CG-CE1 3.68Å; K318-Y328 HydrophobicContact CG-CE2 4.43Å; K318-Y328 PolarHBondContact NZ-OH 2.89Å; K318-Y328 VanDerWaalsContact NZ-OH 3.13Å; D326-Y328 HydrophobicContact CB-CD2 4.27Å; D326-Y328 HydrophobicContact CB-CE2 3.57Å; Y328-H335 CarbonylContact O-C 3.58Å; Y328-H335 WeakPolarHBondContact O-CA 3.23Å; Y328-I336 PolarHBondContact N-O 3.44Å; Y328-I336 PolarHBondContact O-N 3.09Å; Y328-L338 HydrophobicContact CD2-CB 4.18Å; Y328-L338 HydrophobicContact CE2-CB 3.75Å; Y328-L338 HydrophobicContact CE2-CD2 3.9Å; Y328-L338 HydrophobicContact CE2-CG 4.5Å |
| 329 | L | 98.8 | Very high | 98.5 | Very high | 45 Ų | 45 | 46.8 Ų | 46.8 | 24% | 0.236 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.8 | 122 | 168.1 | 172.3 | 62.3 | 0 | 0 | 0 | 109.1 | A315 V316 S317 | A315-L329 CarbonylContact C-O 3.49Å; A315-L329 WeakPolarHBondContact CA-O 3.19Å; A315-L329 WeakPolarHBondContact CB-O 3.49Å; V316-L329 HydrophobicContact CB-CD2 4.2Å; V316-L329 HydrophobicContact CB-CG 4.12Å; V316-L329 HydrophobicContact CG1-CD2 4.16Å; V316-L329 PolarHBondContact N-O 2.82Å; S317-L329 PolarHBondContact O-N 3.19Å |
| 330 | L | 98.7 | Very high | 98.5 | Very high | 6 Ų | 6 | 42.6 Ų | 42.6 | 3% | 0.031 | 24% | 0.24 | C | C | . | . | P | Polyproline II helix | trans | -90.1 | 163.4 | 176.6 | -57 | -175 | 0 | 0 | 0 | 111.6 | W310 L311 A315 N332 G333 R334 I336 | W310-L330 HydrophobicContact CH2-CD2 4.49Å; W310-L330 HydrophobicContact CZ3-CD2 4.13Å; L311-L330 HydrophobicContact CD2-CD2 3.98Å; A315-L330 HydrophobicContact CB-CD2 4.36Å; L330-N332 WeakPolarHBondContact CB-OD1 3.48Å; L330-N332 PolarHBondContact O-N 3.31Å; L330-N332 VanDerWaalsContact O-N 3.14Å; L330-G333 PolarHBondContact O-N 3.35Å; L330-R334 WeakPolarHBondContact CB-O 3.4Å; L330-R334 PolarHBondContact N-O 3.45Å; L330-I336 HydrophobicContact CD1-CG1 3.9Å; L330-I336 HydrophobicContact CG-CG1 4.32Å |
| 331 | S | 97.8 | Very high | 98.4 | Very high | 109 Ų | 109 | 41.6 Ų | 41.6 | 76% | 0.762 | 23% | 0.228 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -62.9 | -19.3 | -180 | 58.2 | 0 | 0 | 0 | 0 | 114.4 | G333 | S331-G333 VanDerWaalsContact C-N 3.27Š|
| 332 | N | 97.9 | Very high | 98.4 | Very high | 66 Ų | 66 | 37.4 Ų | 37.4 | 35% | 0.353 | 21% | 0.206 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -83.2 | 1.1 | 174.5 | 65.8 | 11.8 | 0 | 0 | 0 | 113.5 | A288 L330 R334 | A288-N332 PolarHBondContact O-ND2 3.24Å; L330-N332 WeakPolarHBondContact CB-OD1 3.48Å; L330-N332 PolarHBondContact O-N 3.31Å; L330-N332 VanDerWaalsContact O-N 3.14Å; N332-R334 VanDerWaalsContact C-N 3.33Å; N332-R334 VanDerWaalsContact ND2-CZ 3.33Å; N332-R334 PolarHBondContact ND2-NH2 3Å; N332-R334 VanDerWaalsContact ND2-NH2 3.15Å; N332-R334 WeakPolarHBondContact OD1-CB 3.24Å; N332-R334 PolarHBondContact OD1-N 2.84Å |
| 333 | G | 98.4 | Very high | 98.3 | Very high | 48 Ų | 48 | 34.8 Ų | 34.8 | 50% | 0.495 | 19% | 0.194 | S | C | . | . | S | Bend | trans | 84 | -2.2 | -179.5 | 0 | 0 | 0 | 0 | 0 | 115.4 | L330 S331 | L330-G333 PolarHBondContact O-N 3.35Å; S331-G333 VanDerWaalsContact C-N 3.27Å |
| 334 | R | 98.7 | Very high | 98.2 | Very high | 77 Ų | 77 | 30.5 Ų | 30.5 | 29% | 0.291 | 17% | 0.165 | S | C | . | . | trans | -90.8 | 158.6 | 175.1 | -63.3 | -167.9 | -71 | -90.1 | 8.6 | 111.7 | A288 M290 D292 L330 N332 | A288-R334 PolarHBondContact O-NH2 3.38Å; M290-R334 VanDerWaalsContact O-CD 3.28Å; M290-R334 WeakPolarHBondContact O-CD 3.4Å; M290-R334 PolarHBondContact O-NE 3.11Å; D292-R334 HydrophobicContact CB-CB 4.35Å; D292-R334 HydrophobicContact CB-CG 4.22Å; D292-R334 VanDerWaalsContact OD1-CA 3.3Å; D292-R334 WeakPolarHBondContact OD1-CA 3.28Å; L330-R334 WeakPolarHBondContact CB-O 3.4Å; L330-R334 PolarHBondContact N-O 3.45Å; N332-R334 VanDerWaalsContact C-N 3.33Å; N332-R334 VanDerWaalsContact ND2-CZ 3.33Å; N332-R334 PolarHBondContact ND2-NH2 3Å; N332-R334 VanDerWaalsContact ND2-NH2 3.15Å; N332-R334 WeakPolarHBondContact OD1-CB 3.24Å; N332-R334 PolarHBondContact OD1-N 2.84Å | ||
| 335 | H | 98.8 | Very high | 98.2 | Very high | 34 Ų | 34 | 29 Ų | 29 | 16% | 0.157 | 16% | 0.159 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.8 | 150.6 | 179.6 | -57.6 | 80.9 | 0 | 0 | 0 | 113 | D292 D293 R327 Y328 | D292-H335 IonicContact OD1-CG 2.84Å; D292-H335 PolarHBondContact OD1-N 2.95Å; D292-H335 IonicContact OD1-ND1 3.72Å; D292-H335 PolarHBondContact OD1-ND1 2.89Å; D293-H335 PolarHBondContact N-O 2.85Å; D293-H335 WeakPolarHBondContact OD1-CB 3.28Å; R327-H335 HydrophobicContact CG-CB 4.15Å; R327-H335 PolarHBondContact NH1-CD2 3.16Å; R327-H335 PolarHBondContact NH1-NE2 3.21Å; R327-H335 VanDerWaalsContact NH1-NE2 3.1Å; R327-H335 VanDerWaalsContact NH2-CG 3.29Å; R327-H335 PolarHBondContact NH2-ND1 3.26Å; Y328-H335 CarbonylContact O-C 3.58Å; Y328-H335 WeakPolarHBondContact O-CA 3.23Å |
| 336 | I | 98.9 | Very high | 98.2 | Very high | 1 Ų | 1 | 29 Ų | 29 | 1% | 0.005 | 16% | 0.159 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.9 | 129.7 | 168.2 | -59.3 | -62.6 | 0 | 0 | 0 | 108.5 | L287 M290 V296 L311 R327 Y328 L330 | L287-I336 HydrophobicContact CD2-CD1 4.49Å; L287-I336 HydrophobicContact CD2-CG1 4.48Å; L287-I336 HydrophobicContact CD2-CG2 4.26Å; M290-I336 HydrophobicContact CB-CD1 3.76Å; M290-I336 HydrophobicContact CG-CD1 4.37Å; M290-I336 HydrophobicContact SD-CD1 3.84Å; V296-I336 HydrophobicContact CB-CG2 4.38Å; V296-I336 HydrophobicContact CG2-CG2 3.79Å; L311-I336 HydrophobicContact CD1-CG2 4.42Å; L311-I336 HydrophobicContact CD2-CB 4.4Å; L311-I336 HydrophobicContact CD2-CG1 4.37Å; R327-I336 CarbonylContact C-O 3.58Å; R327-I336 WeakPolarHBondContact CA-O 3.37Å; Y328-I336 PolarHBondContact N-O 3.44Å; Y328-I336 PolarHBondContact O-N 3.09Å; L330-I336 HydrophobicContact CD1-CG1 3.9Å; L330-I336 HydrophobicContact CG-CG1 4.32Å |
| 337 | I | 98.9 | Very high | 98.1 | Very high | 29 Ų | 29 | 29.2 Ų | 29.2 | 15% | 0.149 | 16% | 0.159 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.3 | 108.5 | 171.2 | -60 | 171.3 | 0 | 0 | 0 | 107.5 | T207 D293 S294 I295 V296 V325 D326 R327 L339 | T207-I337 HydrophobicContact CG2-CG2 4.19Å; D293-I337 HydrophobicContact CB-CD1 4.05Å; S294-I337 PolarHBondContact O-N 2.59Å; I295-I337 WeakPolarHBondContact CA-O 3.35Å; I295-I337 HydrophobicContact CG1-CB 4.18Å; I295-I337 HydrophobicContact CG1-CD1 4.27Å; I295-I337 HydrophobicContact CG1-CG2 4.4Å; V296-I337 PolarHBondContact N-O 3.27Å; V325-I337 HydrophobicContact CG1-CG2 4.03Å; D326-I337 WeakPolarHBondContact O-CA 3.29Å; R327-I337 HydrophobicContact CG-CG1 4.24Å; I337-L339 HydrophobicContact CG2-CD2 4Å |
| 338 | L | 98.9 | Very high | 97.9 | Very high | 0 Ų | 0 | 26.2 Ų | 26.2 | 0% | 0 | 15% | 0.149 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.5 | 131.3 | 178.2 | -176 | 67.9 | 0 | 0 | 0 | 109.9 | V296 I306 V308 L311 D326 Y328 | V296-L338 HydrophobicContact CB-CD1 4.43Å; I306-L338 HydrophobicContact CD1-CD1 4.35Å; I306-L338 HydrophobicContact CG2-CD1 4.32Å; V308-L338 HydrophobicContact CB-CD2 4.41Å; V308-L338 HydrophobicContact CG1-CD2 3.75Å; V308-L338 HydrophobicContact CG2-CD1 4.46Å; V308-L338 HydrophobicContact CG2-CD2 3.88Å; L311-L338 HydrophobicContact CD1-CD1 4.5Å; L311-L338 HydrophobicContact CD1-CD2 4.12Å; D326-L338 PolarHBondContact N-O 3.49Å; D326-L338 VanDerWaalsContact N-O 3.12Å; D326-L338 PolarHBondContact O-N 3Å; Y328-L338 HydrophobicContact CD2-CB 4.18Å; Y328-L338 HydrophobicContact CE2-CB 3.75Å; Y328-L338 HydrophobicContact CE2-CD2 3.9Å; Y328-L338 HydrophobicContact CE2-CG 4.5Å |
| 339 | L | 98.7 | Very high | 97.9 | Very high | 0 Ų | 0 | 27.2 Ų | 27.2 | 0% | 0 | 16% | 0.155 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.8 | 138 | 177.2 | -52.2 | -167.3 | 0 | 0 | 0 | 111.2 | I203 A206 T207 I295 V296 C297 V325 I337 E341 G342 A345 | I203-L339 HydrophobicContact CG1-CD1 4.03Å; A206-L339 HydrophobicContact CB-CD1 3.99Å; A206-L339 HydrophobicContact CB-CD2 3.78Å; A206-L339 HydrophobicContact CB-CG 4.48Å; T207-L339 HydrophobicContact CG2-CD2 3.84Å; I295-L339 HydrophobicContact CG2-CD1 3.92Å; I295-L339 HydrophobicContact CG2-CD2 4.42Å; I295-L339 HydrophobicContact CG2-CG 4.06Å; V296-L339 PolarHBondContact O-N 3.42Å; V296-L339 VanDerWaalsContact O-N 3.08Å; C297-L339 HydrophobicContact CB-CB 3.86Å; C297-L339 HydrophobicContact CB-CD1 3.88Å; C297-L339 HydrophobicContact CB-CG 4.02Å; V325-L339 HydrophobicContact CG1-CD2 4.29Å; V325-L339 HydrophobicContact CG2-CD2 4.4Å; I337-L339 HydrophobicContact CG2-CD2 4Å; L339-E341 PolarHBondContact O-N 3.21Å; L339-E341 VanDerWaalsContact O-N 3.08Å; L339-G342 PolarHBondContact O-N 2.68Å; L339-A345 HydrophobicContact CB-CB 4.27Å |
| 340 | A | 97.9 | Very high | 97.8 | Very high | 0 Ų | 0 | 25.6 Ų | 25.6 | 0% | 0 | 15% | 0.149 | C | C | . | . | G | 310 helix | trans | 49.8 | 33.2 | 173.6 | 0 | 0 | 0 | 0 | 0 | 114.7 | Q324 G342 R343 | Q324-A340 HydrophobicContact CB-CB 4.29Å; Q324-A340 HydrophobicContact CG-CB 4.38Å; Q324-A340 PolarHBondContact O-N 3.32Å; A340-G342 PolarHBondContact O-N 2.74Å; A340-G342 VanDerWaalsContact O-N 3.09Å; A340-R343 WeakPolarHBondContact O-CB 3.36Å; A340-R343 PolarHBondContact O-N 2.84Å |
| 341 | E | 97.5 | Very high | 97.8 | Very high | 66 Ų | 66 | 27.6 Ų | 27.6 | 31% | 0.308 | 16% | 0.161 | S | C | . | . | G | 310 helix | trans | 52.4 | 31.9 | -177.2 | -58.1 | 172.8 | -137.7 | 0 | 0 | 112.8 | F81 L339 R343 | F81-E341 HydrophobicContact CE2-CB 4.41Å; F81-E341 HydrophobicContact CE2-CG 4.42Å; F81-E341 VanDerWaalsContact CZ-OE1 3.22Å; F81-E341 WeakPolarHBondContact CZ-OE1 2.92Å; L339-E341 PolarHBondContact O-N 3.21Å; L339-E341 VanDerWaalsContact O-N 3.08Å; E341-R343 VanDerWaalsContact C-N 3.29Å; E341-R343 PolarHBondContact O-N 3.48Å; E341-R343 IonicContact OE2-NH1 2.82Å; E341-R343 PolarHBondContact OE2-NH1 3.4Å |
| 342 | G | 97.8 | Very high | 97.8 | Very high | 0 Ų | 0 | 22.7 Ų | 22.7 | 0% | 0 | 13% | 0.128 | C | C | . | . | G | 310 helix | trans | 77.4 | 4.3 | -177.1 | 0 | 0 | 0 | 0 | 0 | 115.4 | N298 D303 L339 A340 | N298-G342 WeakPolarHBondContact CB-O 3.27Å; N298-G342 PolarHBondContact ND2-O 3.22Å; D303-G342 WeakPolarHBondContact CA-O 3.38Å; L339-G342 PolarHBondContact O-N 2.68Å; A340-G342 PolarHBondContact O-N 2.74Å; A340-G342 VanDerWaalsContact O-N 3.09Å |
| 343 | R | 96.4 | Very high | 97.9 | Very high | 29 Ų | 29 | 20.6 Ų | 20.6 | 11% | 0.109 | 12% | 0.116 | C | C | . | . | S | Bend | trans | -80.9 | -179.4 | 168.3 | -66 | 176.2 | 179.3 | 86.8 | -8.7 | 111 | I80 F81 E106 N298 D303 A340 E341 A345 | I80-R343 VanDerWaalsContact CD1-CZ 3.41Å; F81-R343 HydrophobicContact CD2-CB 4.42Å; E106-R343 IonicContact OE1-CZ 3.19Å; E106-R343 IonicContact OE1-NH2 2.65Å; E106-R343 PolarHBondContact OE1-NH2 3.31Å; N298-R343 VanDerWaalsContact O-O 3.12Å; D303-R343 HydrophobicContact CB-CG 3.73Å; D303-R343 IonicContact OD2-CZ 3.03Å; D303-R343 IonicContact OD2-NE 3.7Å; D303-R343 IonicContact OD2-NH2 2.75Å; A340-R343 WeakPolarHBondContact O-CB 3.36Å; A340-R343 PolarHBondContact O-N 2.84Å; E341-R343 VanDerWaalsContact C-N 3.29Å; E341-R343 PolarHBondContact O-N 3.48Å; E341-R343 IonicContact OE2-NH1 2.82Å; E341-R343 PolarHBondContact OE2-NH1 3.4Å; R343-A345 PolarHBondContact O-N 3.46Å |
| 344 | L | 96.1 | Very high | 97.9 | Very high | 15 Ų | 15 | 20.4 Ų | 20.4 | 8% | 0.079 | 11% | 0.109 | C | C | . | . | B | Isolated β-bridge | trans | -59.1 | 105.5 | -176.6 | -69.2 | 83.9 | 0 | 0 | 0 | 112.2 | N298 G300 H301 N346 L347 G348 | N298-L344 CarbonylContact O-C 3.46Å; N298-L344 WeakPolarHBondContact O-CA 3.45Å; G300-L344 WeakPolarHBondContact O-CG 3.29Å; H301-L344 WeakPolarHBondContact O-CD1 3.29Å; L344-N346 PolarHBondContact O-N 2.85Å; L344-L347 HydrophobicContact CB-CB 4.42Å; L344-L347 HydrophobicContact CB-CD1 4.27Å; L344-L347 HydrophobicContact CD2-CD1 3.82Å; L344-L347 PolarHBondContact O-N 3.42Å; L344-G348 PolarHBondContact O-N 3Å |
| 345 | A | 97.5 | Very high | 97.9 | Very high | 1 Ų | 1 | 17.6 Ų | 17.6 | 1% | 0.008 | 10% | 0.102 | C | C | . | . | H | α-helix | trans | -70.4 | -30 | -174 | 0 | 0 | 0 | 0 | 0 | 113.9 | C297 N298 V299 L339 R343 L347 C349 | C297-A345 HydrophobicContact CB-CB 3.85Å; N298-A345 PolarHBondContact O-N 2.79Å; V299-A345 HydrophobicContact CG1-CB 4.3Å; L339-A345 HydrophobicContact CB-CB 4.27Å; R343-A345 PolarHBondContact O-N 3.46Å; A345-L347 VanDerWaalsContact C-N 3.27Å; A345-L347 PolarHBondContact O-N 2.71Å; A345-C349 WeakPolarHBondContact O-CA 3.38Å; A345-C349 VanDerWaalsContact O-CB 3.24Å; A345-C349 WeakPolarHBondContact O-CB 3.29Å; A345-C349 PolarHBondContact O-N 3.05Å |
| 346 | N | 97.8 | Very high | 97.9 | Very high | 7 Ų | 7 | 18.1 Ų | 18.1 | 4% | 0.037 | 10% | 0.104 | C | C | . | . | H | α-helix | trans | -64.5 | -31.5 | 176.3 | 65.2 | -33.6 | 0 | 0 | 0 | 112.5 | I195 S198 F199 V299 L344 A350 T351 G352 H353 | I195-N346 HydrophobicContact CD1-CB 4.12Å; S198-N346 WeakPolarHBondContact OG-CB 3.18Å; S198-N346 PolarHBondContact OG-ND2 2.92Å; F199-N346 HydrophobicContact CB-CB 4.48Å; V299-N346 HydrophobicContact CG1-CB 4.42Å; L344-N346 PolarHBondContact O-N 2.85Å; N346-A350 CarbonylContact O-C 3.59Å; N346-A350 WeakPolarHBondContact O-CB 3.5Å; N346-T351 PolarHBondContact O-N 3.29Å; N346-G352 WeakPolarHBondContact O-CA 3.29Å; N346-G352 PolarHBondContact O-N 3.28Å; N346-H353 PolarHBondContact ND2-CD2 2.88Å; N346-H353 PolarHBondContact ND2-NE2 3.23Å |
| 347 | L | 95.9 | Very high | 97.8 | Very high | 15 Ų | 15 | 18.9 Ų | 18.9 | 8% | 0.079 | 11% | 0.108 | C | C | . | . | H | α-helix | trans | -94.5 | -41.5 | 176.6 | -74.8 | 154.4 | 0 | 0 | 0 | 112.2 | H54 T56 L344 A345 | H54-L347 HydrophobicContact CB-CD2 4.34Å; H54-L347 VanDerWaalsContact NE2-CD1 3.32Å; H54-L347 WeakPolarHBondContact NE2-CD1 3.22Å; T56-L347 HydrophobicContact CG2-CD2 4.18Å; L344-L347 HydrophobicContact CB-CB 4.42Å; L344-L347 HydrophobicContact CB-CD1 4.27Å; L344-L347 HydrophobicContact CD2-CD1 3.82Å; L344-L347 PolarHBondContact O-N 3.42Å; A345-L347 VanDerWaalsContact C-N 3.27Å; A345-L347 PolarHBondContact O-N 2.71Å |
| 348 | G | 95.5 | Very high | 97.8 | Very high | 2 Ų | 2 | 18.5 Ų | 18.5 | 2% | 0.021 | 11% | 0.106 | C | C | . | . | H | α-helix | trans | -68.2 | -41.5 | -179 | 0 | 0 | 0 | 0 | 0 | 112.9 | K102 L344 | K102-G348 PolarHBondContact NZ-O 3.39Å; L344-G348 PolarHBondContact O-N 3Å |
| 349 | C | 98.3 | Very high | 97.8 | Very high | 21 Ų | 21 | 18.5 Ų | 18.5 | 14% | 0.142 | 11% | 0.106 | C | C | . | . | S | Bend | trans | -102.6 | -8 | -177.4 | -56.8 | 0 | 0 | 0 | 0 | 114 | G202 R205 A206 A345 | G202-C349 WeakPolarHBondContact O-CB 3.49Å; R205-C349 WeakPolarHBondContact CB-O 3.39Å; A206-C349 HydrophobicContact CB-CB 4.08Å; A345-C349 WeakPolarHBondContact O-CA 3.38Å; A345-C349 VanDerWaalsContact O-CB 3.24Å; A345-C349 WeakPolarHBondContact O-CB 3.29Å; A345-C349 PolarHBondContact O-N 3.05Å |
| 350 | A | 98.2 | Very high | 97.8 | Very high | 12 Ų | 12 | 18.8 Ų | 18.8 | 10% | 0.099 | 11% | 0.108 | C | C | . | . | S | Bend | trans | -141.3 | -136.6 | 176.5 | 0 | 0 | 0 | 0 | 0 | 111.1 | D201 N346 | D201-A350 HydrophobicContact CB-CB 4.29Å; N346-A350 CarbonylContact O-C 3.59Å; N346-A350 WeakPolarHBondContact O-CB 3.5Å |
| 351 | T | 98.2 | Very high | 97.9 | Very high | 48 Ų | 48 | 18.8 Ų | 18.8 | 29% | 0.294 | 11% | 0.108 | S | C | . | . | trans | -122.6 | 12.7 | -171.8 | 46.6 | 0 | 0 | 0 | 0 | 113.2 | Q84 R205 N346 | Q84-T351 VanDerWaalsContact NE2-CB 3.34Å; Q84-T351 PolarHBondContact NE2-O 2.63Å; R205-T351 PolarHBondContact NH2-OG1 3.47Å; N346-T351 PolarHBondContact O-N 3.29Å | ||
| 352 | G | 97.9 | Very high | 97.9 | Very high | 5 Ų | 5 | 15.6 Ų | 15.6 | 5% | 0.052 | 9% | 0.093 | C | C | . | . | trans | 69.2 | -155.7 | -173 | 0 | 0 | 0 | 0 | 0 | 112.3 | S198 N346 | S198-G352 WeakPolarHBondContact CB-O 3.43Å; N346-G352 WeakPolarHBondContact O-CA 3.29Å; N346-G352 PolarHBondContact O-N 3.28Å | ||
| 353 | H | 98.5 | Very high | 98 | Very high | 22 Ų | 22 | 15.6 Ų | 15.6 | 10% | 0.102 | 9% | 0.093 | C | C | . | . | S | Bend | trans | -75.2 | 149.4 | -175.8 | -65.3 | -177.5 | 0 | 0 | 0 | 111.9 | D190 G194 I195 S198 N346 V357 M358 | D190-H353 PolarHBondContact O-CE1 3.37Å; D190-H353 VanDerWaalsContact O-CE1 3.3Å; D190-H353 PolarHBondContact O-ND1 3.44Å; D190-H353 IonicContact OD1-CE1 3.45Å; D190-H353 PolarHBondContact OD1-CE1 2.95Å; D190-H353 IonicContact OD1-CG 3.85Å; D190-H353 IonicContact OD1-ND1 2.72Å; D190-H353 PolarHBondContact OD1-ND1 3.45Å; G194-H353 WeakPolarHBondContact CA-ND1 3.48Å; G194-H353 PolarHBondContact O-CD2 2.81Å; I195-H353 PolarHBondContact N-CE1 3.36Å; I195-H353 PolarHBondContact N-NE2 3.34Å; S198-H353 PolarHBondContact OG-CD2 2.89Å; S198-H353 PolarHBondContact OG-NE2 3.25Å; N346-H353 PolarHBondContact ND2-CD2 2.88Å; N346-H353 PolarHBondContact ND2-NE2 3.23Å; H353-V357 HydrophobicContact CB-CG1 3.77Å; H353-M358 HydrophobicContact CB-CG 3.86Å; H353-M358 HydrophobicContact CB-SD 3.58Å; H353-M358 VanDerWaalsContact CB-SD 3.58Å |
| 354 | A | 98.5 | Very high | 98.1 | Very high | 44 Ų | 44 | 14.2 Ų | 14.2 | 36% | 0.364 | 9% | 0.088 | S | C | . | . | trans | -62 | 150.9 | 178.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | F356 V357 M358 | A354-F356 PolarHBondContact O-N 3.02Å; A354-F356 VanDerWaalsContact O-N 3.14Å; A354-V357 WeakPolarHBondContact O-CG1 3.32Å; A354-V357 PolarHBondContact O-N 3.41Å; A354-M358 PolarHBondContact O-N 3.4Å | ||
| 355 | S | 98.8 | Very high | 98.2 | Very high | 19 Ų | 19 | 13.5 Ų | 13.5 | 13% | 0.133 | 8% | 0.084 | C | C | . | . | H | α-helix | trans | -56.1 | -36.5 | -174.1 | -52.6 | 0 | 0 | 0 | 0 | 113.8 | M28 Q58 V357 M358 S359 | M28-S355 WeakPolarHBondContact CG-O 3.38Å; Q58-S355 PolarHBondContact NE2-OG 2.72Å; S355-V357 PolarHBondContact O-N 2.86Å; S355-M358 PolarHBondContact O-N 3.03Å; S355-S359 PolarHBondContact O-N 3.2Å |
| 356 | F | 98.8 | Very high | 98.3 | Very high | 45 Ų | 45 | 13.5 Ų | 13.5 | 20% | 0.197 | 8% | 0.084 | C | C | . | . | H | α-helix | trans | -61.5 | -45.8 | -178.9 | -172.9 | -88.4 | 0 | 0 | 0 | 113.4 | E27 P29 A354 S359 H398 K401 L402 | E27-F356 WeakPolarHBondContact O-CA 3.37Å; P29-F356 HydrophobicContact CG-CE2 4.08Å; A354-F356 PolarHBondContact O-N 3.02Å; A354-F356 VanDerWaalsContact O-N 3.14Å; F356-S359 VanDerWaalsContact O-CB 3.25Å; F356-S359 WeakPolarHBondContact O-CB 3.3Å; F356-S359 PolarHBondContact O-N 2.84Å; F356-H398 HydrophobicContact CZ-CB 3.92Å; F356-K401 HydrophobicContact CD2-CG 4.28Å; F356-K401 HydrophobicContact CE2-CB 4.08Å; F356-K401 HydrophobicContact CE2-CG 3.79Å; F356-L402 HydrophobicContact CE1-CD1 3.97Å; F356-L402 HydrophobicContact CE1-CD2 4.25Å; F356-L402 HydrophobicContact CE1-CG 4.32Å; F356-L402 HydrophobicContact CE2-CD2 3.93Å; F356-L402 HydrophobicContact CE2-CG 4.13Å; F356-L402 HydrophobicContact CZ-CD1 3.63Å; F356-L402 HydrophobicContact CZ-CD2 3.68Å; F356-L402 HydrophobicContact CZ-CG 3.58Å |
| 357 | V | 98.5 | Very high | 98.3 | Very high | 16 Ų | 16 | 13.4 Ų | 13.4 | 10% | 0.097 | 8% | 0.083 | C | C | . | . | H | α-helix | trans | -74.9 | -35 | 178.8 | 77.4 | 0 | 0 | 0 | 0 | 111 | F189 D190 H353 A354 S355 S359 T360 | F189-V357 VanDerWaalsContact C-CG2 3.41Å; F189-V357 HydrophobicContact CB-CG2 4.03Å; F189-V357 WeakPolarHBondContact O-CG2 2.9Å; D190-V357 HydrophobicContact CB-CG2 4.45Å; H353-V357 HydrophobicContact CB-CG1 3.77Å; A354-V357 WeakPolarHBondContact O-CG1 3.32Å; A354-V357 PolarHBondContact O-N 3.41Å; S355-V357 PolarHBondContact O-N 2.86Å; V357-S359 PolarHBondContact O-N 3.45Å; V357-T360 PolarHBondContact O-N 3.15Å; V357-T360 PolarHBondContact O-OG1 3.35Å |
| 358 | M | 98.7 | Very high | 98.4 | Very high | 21 Ų | 21 | 12.7 Ų | 12.7 | 10% | 0.103 | 8% | 0.08 | C | C | . | . | H | α-helix | trans | -63.9 | -25.6 | 173.4 | -66.4 | -48.3 | -59.7 | 0 | 0 | 112.6 | M28 Q58 H353 A354 S355 T360 S361 F362 | M28-M358 HydrophobicContact CE-CB 4.3Å; Q58-M358 HydrophobicContact CB-CB 3.87Å; Q58-M358 HydrophobicContact CB-CG 4.12Å; Q58-M358 HydrophobicContact CG-CB 3.89Å; Q58-M358 HydrophobicContact CG-CG 3.93Å; H353-M358 HydrophobicContact CB-CG 3.86Å; H353-M358 HydrophobicContact CB-SD 3.58Å; H353-M358 VanDerWaalsContact CB-SD 3.58Å; A354-M358 PolarHBondContact O-N 3.4Å; S355-M358 PolarHBondContact O-N 3.03Å; M358-T360 VanDerWaalsContact C-N 3.26Å; M358-T360 PolarHBondContact O-N 3.39Å; M358-S361 PolarHBondContact O-N 3.41Å; M358-F362 HydrophobicContact CB-CD2 4.33Å; M358-F362 HydrophobicContact CB-CE2 4.2Å; M358-F362 HydrophobicContact CE-CD1 4.08Å; M358-F362 HydrophobicContact CE-CE1 3.35Å; M358-F362 HydrophobicContact CE-CE2 3.95Å; M358-F362 HydrophobicContact CE-CZ 3.27Å; M358-F362 VanDerWaalsContact O-CB 3.25Å; M358-F362 WeakPolarHBondContact O-CB 3.32Å; M358-F362 VanDerWaalsContact O-CG 3.27Å; M358-F362 WeakPolarHBondContact O-CG 3.35Å; M358-F362 PolarHBondContact O-N 2.95Å |
| 359 | S | 98.9 | Very high | 98.5 | Very high | 0 Ų | 0 | 12.6 Ų | 12.6 | 0% | 0 | 8% | 0.079 | C | C | . | . | H | α-helix | trans | -60.9 | -34.7 | 172.1 | -174.3 | 0 | 0 | 0 | 0 | 112.2 | M28 G30 S355 F356 V357 T363 H398 | M28-S359 VanDerWaalsContact C-OG 3.24Å; M28-S359 WeakPolarHBondContact CA-OG 3.41Å; G30-S359 PolarHBondContact N-OG 2.74Å; S355-S359 PolarHBondContact O-N 3.2Å; F356-S359 VanDerWaalsContact O-CB 3.25Å; F356-S359 WeakPolarHBondContact O-CB 3.3Å; F356-S359 PolarHBondContact O-N 2.84Å; V357-S359 PolarHBondContact O-N 3.45Å; S359-T363 VanDerWaalsContact O-CB 3.23Å; S359-T363 WeakPolarHBondContact O-CB 3.5Å; S359-T363 PolarHBondContact O-N 3.22Å; S359-T363 PolarHBondContact O-OG1 2.86Å; S359-H398 VanDerWaalsContact C-NE2 3.31Å; S359-H398 WeakPolarHBondContact CB-NE2 3.37Å; S359-H398 PolarHBondContact OG-NE2 3.3Å |
| 360 | T | 98.7 | Very high | 98.5 | Very high | 6 Ų | 6 | 12.2 Ų | 12.2 | 4% | 0.037 | 8% | 0.075 | C | C | . | . | H | α-helix | trans | -69.6 | -48.2 | 179 | 68.7 | 0 | 0 | 0 | 0 | 110.4 | T185 V357 M358 T363 N364 V394 H398 | T185-T360 WeakPolarHBondContact O-CB 3.31Å; T185-T360 PolarHBondContact O-OG1 3.01Å; V357-T360 PolarHBondContact O-N 3.15Å; V357-T360 PolarHBondContact O-OG1 3.35Å; M358-T360 VanDerWaalsContact C-N 3.26Å; M358-T360 PolarHBondContact O-N 3.39Å; T360-T363 PolarHBondContact O-N 3.22Å; T360-N364 PolarHBondContact O-N 2.85Å; T360-N364 PolarHBondContact O-ND2 2.82Å; T360-V394 WeakPolarHBondContact O-CG1 3.48Å; T360-H398 PolarHBondContact N-NE2 2.95Å |
| 361 | S | 98.5 | Very high | 98.4 | Very high | 0 Ų | 0 | 12.4 Ų | 12.4 | 0% | 0 | 7% | 0.074 | C | C | . | . | H | α-helix | trans | -55.7 | -52.9 | 173.9 | -59 | 0 | 0 | 0 | 0 | 112.4 | E156 D190 M358 T363 N364 Q365 | E156-S361 VanDerWaalsContact OE1-CB 3.25Å; E156-S361 WeakPolarHBondContact OE1-CB 3.21Å; D190-S361 WeakPolarHBondContact CB-OG 3.3Å; D190-S361 VanDerWaalsContact CG-OG 3.24Å; D190-S361 WeakPolarHBondContact OD2-CB 3.35Å; D190-S361 PolarHBondContact OD2-OG 2.98Å; M358-S361 PolarHBondContact O-N 3.41Å; S361-T363 VanDerWaalsContact C-N 3.33Å; S361-T363 PolarHBondContact O-N 2.9Å; S361-N364 WeakPolarHBondContact O-CA 3.29Å; S361-N364 VanDerWaalsContact O-CB 3.28Å; S361-N364 WeakPolarHBondContact O-CB 3.22Å; S361-N364 PolarHBondContact O-N 3.34Å; S361-Q365 PolarHBondContact O-N 2.89Å |
| 362 | F | 98.8 | Very high | 98.4 | Very high | 0 Ų | 0 | 10.3 Ų | 10.3 | 0% | 0 | 6% | 0.061 | C | C | . | . | H | α-helix | trans | -74.4 | -24.1 | -174.8 | -67.3 | -10 | 0 | 0 | 0 | 113.3 | M28 L31 L53 Q58 L62 M358 N364 Q365 M366 | M28-F362 HydrophobicContact CE-CD2 3.81Å; L31-F362 HydrophobicContact CD1-CB 3.98Å; L31-F362 HydrophobicContact CD2-CB 3.98Å; L31-F362 HydrophobicContact CG-CB 4.25Å; L53-F362 HydrophobicContact CD1-CE1 3.9Å; L53-F362 HydrophobicContact CD1-CZ 4.42Å; L53-F362 HydrophobicContact CD2-CE1 3.95Å; L53-F362 HydrophobicContact CD2-CZ 3.66Å; Q58-F362 HydrophobicContact CB-CD2 4.48Å; Q58-F362 HydrophobicContact CB-CE2 3.8Å; L62-F362 HydrophobicContact CB-CB 4.31Å; L62-F362 HydrophobicContact CB-CD2 3.74Å; L62-F362 HydrophobicContact CB-CE2 4.26Å; L62-F362 HydrophobicContact CB-CG 4.11Å; L62-F362 HydrophobicContact CD1-CB 4.09Å; L62-F362 HydrophobicContact CD1-CG 4.43Å; L62-F362 HydrophobicContact CD2-CB 4.39Å; L62-F362 HydrophobicContact CD2-CD1 3.86Å; L62-F362 HydrophobicContact CD2-CD2 4.05Å; L62-F362 HydrophobicContact CD2-CE1 4.07Å; L62-F362 HydrophobicContact CD2-CE2 4.27Å; L62-F362 HydrophobicContact CD2-CG 3.85Å; L62-F362 HydrophobicContact CD2-CZ 4.27Å; L62-F362 HydrophobicContact CG-CD2 4.42Å; L62-F362 HydrophobicContact CG-CG 4.36Å; M358-F362 HydrophobicContact CB-CD2 4.33Å; M358-F362 HydrophobicContact CB-CE2 4.2Å; M358-F362 HydrophobicContact CE-CD1 4.08Å; M358-F362 HydrophobicContact CE-CE1 3.35Å; M358-F362 HydrophobicContact CE-CE2 3.95Å; M358-F362 HydrophobicContact CE-CZ 3.27Å; M358-F362 VanDerWaalsContact O-CB 3.25Å; M358-F362 WeakPolarHBondContact O-CB 3.32Å; M358-F362 VanDerWaalsContact O-CG 3.27Å; M358-F362 WeakPolarHBondContact O-CG 3.35Å; M358-F362 PolarHBondContact O-N 2.95Å; F362-N364 VanDerWaalsContact C-N 3.34Å; F362-Q365 HydrophobicContact CD1-CG 4.47Å; F362-Q365 WeakPolarHBondContact O-CB 3.46Å; F362-Q365 PolarHBondContact O-N 2.91Å; F362-M366 WeakPolarHBondContact O-CG 3.28Å; F362-M366 PolarHBondContact O-N 2.89Å |
| 363 | T | 98.9 | Very high | 98.4 | Very high | 0 Ų | 0 | 11.5 Ų | 11.5 | 0% | 0 | 6% | 0.064 | C | C | . | . | H | α-helix | trans | -66.6 | -39.2 | 167.9 | -55.5 | 0 | 0 | 0 | 0 | 110.6 | G30 L31 I34 S359 T360 S361 M366 L367 V394 L397 | G30-T363 VanDerWaalsContact C-OG1 3.22Å; G30-T363 VanDerWaalsContact CA-OG1 3.28Å; G30-T363 WeakPolarHBondContact CA-OG1 3.17Å; L31-T363 PolarHBondContact N-OG1 2.99Å; I34-T363 HydrophobicContact CD1-CG2 4.28Å; I34-T363 HydrophobicContact CG1-CG2 3.85Å; S359-T363 VanDerWaalsContact O-CB 3.23Å; S359-T363 WeakPolarHBondContact O-CB 3.5Å; S359-T363 PolarHBondContact O-N 3.22Å; S359-T363 PolarHBondContact O-OG1 2.86Å; T360-T363 PolarHBondContact O-N 3.22Å; S361-T363 VanDerWaalsContact C-N 3.33Å; S361-T363 PolarHBondContact O-N 2.9Å; T363-M366 PolarHBondContact O-N 2.83Å; T363-L367 HydrophobicContact CG2-CD1 4.37Å; T363-L367 WeakPolarHBondContact O-CG 3.38Å; T363-L367 PolarHBondContact O-N 2.64Å; T363-V394 HydrophobicContact CG2-CB 4.48Å; T363-V394 HydrophobicContact CG2-CG1 4.38Å; T363-V394 HydrophobicContact CG2-CG2 3.83Å; T363-L397 HydrophobicContact CG2-CD1 4.14Å |
| 364 | N | 98.7 | Very high | 98.3 | Very high | 0 Ų | 0 | 13.3 Ų | 13.3 | 0% | 0 | 8% | 0.077 | C | C | . | . | H | α-helix | trans | -61.1 | -45.4 | 171.2 | -77 | -82.9 | 0 | 0 | 0 | 111.4 | V180 S183 T185 T360 S361 F362 M366 L367 A368 L386 | V180-N364 HydrophobicContact CG1-CB 3.54Å; S183-N364 WeakPolarHBondContact CB-OD1 3.42Å; S183-N364 PolarHBondContact OG-OD1 2.96Å; T185-N364 PolarHBondContact OG1-ND2 2.73Å; T360-N364 PolarHBondContact O-N 2.85Å; T360-N364 PolarHBondContact O-ND2 2.82Å; S361-N364 WeakPolarHBondContact O-CA 3.29Å; S361-N364 VanDerWaalsContact O-CB 3.28Å; S361-N364 WeakPolarHBondContact O-CB 3.22Å; S361-N364 PolarHBondContact O-N 3.34Å; F362-N364 VanDerWaalsContact C-N 3.34Å; N364-M366 VanDerWaalsContact C-N 3.3Å; N364-M366 PolarHBondContact O-N 3.38Å; N364-L367 PolarHBondContact O-N 2.91Å; N364-A368 WeakPolarHBondContact O-CB 3.45Å; N364-A368 PolarHBondContact O-N 3.08Å; N364-L386 HydrophobicContact CB-CD1 3.82Å; N364-L386 WeakPolarHBondContact O-CD1 3.48Å; N364-L386 WeakPolarHBondContact OD1-CD1 3.4Å |
| 365 | Q | 98.5 | Very high | 98.2 | Very high | 0 Ų | 0 | 15.3 Ų | 15.3 | 0% | 0 | 8% | 0.078 | C | C | . | . | H | α-helix | trans | -55.2 | -44.6 | 174.6 | -75.6 | -72.6 | 2.9 | 0 | 0 | 112.3 | L62 L129 S154 E156 V180 S361 F362 A368 Q369 | L62-Q365 HydrophobicContact CD1-CB 4.38Å; L129-Q365 HydrophobicContact CD1-CB 4.09Å; L129-Q365 HydrophobicContact CD1-CG 4.39Å; S154-Q365 PolarHBondContact OG-OE1 3.39Å; E156-Q365 VanDerWaalsContact OE2-CD 3.25Å; E156-Q365 WeakPolarHBondContact OE2-CG 3.16Å; E156-Q365 PolarHBondContact OE2-NE2 3.32Å; V180-Q365 HydrophobicContact CG1-CG 4.24Å; S361-Q365 PolarHBondContact O-N 2.89Å; F362-Q365 HydrophobicContact CD1-CG 4.47Å; F362-Q365 WeakPolarHBondContact O-CB 3.46Å; F362-Q365 PolarHBondContact O-N 2.91Å; Q365-A368 PolarHBondContact O-N 2.82Å; Q365-Q369 WeakPolarHBondContact O-CB 3.39Å; Q365-Q369 VanDerWaalsContact O-CG 3.27Å; Q365-Q369 WeakPolarHBondContact O-CG 3.41Å; Q365-Q369 PolarHBondContact O-N 3.02Å |
| 366 | M | 98.5 | Very high | 97.6 | Very high | 0 Ų | 0 | 17.2 Ų | 17.2 | 0% | 0 | 10% | 0.095 | C | C | . | . | H | α-helix | trans | -63.8 | -43.2 | 178.1 | -69.3 | -58.3 | 80.4 | 0 | 0 | 112.7 | L31 I34 L62 T65 L66 L129 F362 T363 N364 Q369 I370 | L31-M366 HydrophobicContact CD2-CG 3.67Å; I34-M366 HydrophobicContact CG2-CB 4.11Å; I34-M366 HydrophobicContact CG2-CG 4.43Å; L62-M366 HydrophobicContact CD1-CE 3.14Å; L62-M366 HydrophobicContact CD1-CG 4Å; L62-M366 HydrophobicContact CD1-SD 3.75Å; L62-M366 HydrophobicContact CG-CE 4.38Å; T65-M366 HydrophobicContact CG2-CG 3.93Å; T65-M366 HydrophobicContact CG2-SD 3.84Å; L66-M366 HydrophobicContact CD1-CE 4.08Å; L66-M366 HydrophobicContact CD2-CE 3.23Å; L66-M366 HydrophobicContact CD2-SD 3.69Å; L66-M366 HydrophobicContact CG-CE 3.44Å; L66-M366 VanDerWaalsContact CG-CE 3.44Å; L66-M366 HydrophobicContact CG-SD 3.72Å; L129-M366 HydrophobicContact CD1-CE 4.21Å; F362-M366 WeakPolarHBondContact O-CG 3.28Å; F362-M366 PolarHBondContact O-N 2.89Å; T363-M366 PolarHBondContact O-N 2.83Å; N364-M366 VanDerWaalsContact C-N 3.3Å; N364-M366 PolarHBondContact O-N 3.38Å; M366-Q369 HydrophobicContact CE-CG 4.28Å; M366-Q369 PolarHBondContact O-N 3.08Å; M366-I370 WeakPolarHBondContact O-CB 3.14Å; M366-I370 WeakPolarHBondContact O-CD1 3.34Å; M366-I370 VanDerWaalsContact O-CG1 3.24Å; M366-I370 WeakPolarHBondContact O-CG1 3.38Å; M366-I370 PolarHBondContact O-N 3.21Å |
| 367 | L | 98.1 | Very high | 97.1 | Very high | 6 Ų | 6 | 19 Ų | 19 | 3% | 0.031 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -66 | -39.9 | 176.8 | -66.9 | 174.9 | 0 | 0 | 0 | 111.6 | I34 T363 N364 I370 E371 L386 L390 V394 | I34-L367 HydrophobicContact CD1-CD2 3.73Å; I34-L367 HydrophobicContact CD1-CG 4.26Å; T363-L367 HydrophobicContact CG2-CD1 4.37Å; T363-L367 WeakPolarHBondContact O-CG 3.38Å; T363-L367 PolarHBondContact O-N 2.64Å; N364-L367 PolarHBondContact O-N 2.91Å; L367-I370 PolarHBondContact O-N 2.82Å; L367-E371 WeakPolarHBondContact O-CB 3.43Å; L367-E371 PolarHBondContact O-N 3.49Å; L367-L386 HydrophobicContact CB-CD2 4.44Å; L367-L390 HydrophobicContact CB-CD1 4.49Å; L367-L390 HydrophobicContact CD1-CB 4.15Å; L367-V394 HydrophobicContact CD1-CG2 3.71Å |
| 368 | A | 98.2 | Very high | 96.9 | Very high | 0 Ų | 0 | 25.5 Ų | 25.5 | 0% | 0 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -62.5 | -45.2 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | F178 V180 N364 Q365 E371 L372 L386 | F178-A368 HydrophobicContact CB-CB 3.88Å; F178-A368 HydrophobicContact CD2-CB 3.75Å; F178-A368 HydrophobicContact CG-CB 4Å; V180-A368 HydrophobicContact CG2-CB 3.92Å; N364-A368 WeakPolarHBondContact O-CB 3.45Å; N364-A368 PolarHBondContact O-N 3.08Å; Q365-A368 PolarHBondContact O-N 2.82Å; A368-E371 PolarHBondContact O-N 3.31Å; A368-L372 WeakPolarHBondContact O-CB 3.34Å; A368-L372 WeakPolarHBondContact O-CG 3.5Å; A368-L372 PolarHBondContact O-N 3Å; A368-L386 HydrophobicContact CB-CD1 4.31Å; A368-L386 HydrophobicContact CB-CD2 4.26Å; A368-L386 HydrophobicContact CB-CG 4.46Å |
| 369 | Q | 98.5 | Very high | 96.7 | Very high | 0 Ų | 0 | 26 Ų | 26 | 0% | 0 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -63 | -44.6 | 176.6 | -72.6 | -69.6 | -50.7 | 0 | 0 | 111.8 | L44 L66 I128 L129 S154 Q365 M366 E371 W373 | L44-Q369 HydrophobicContact CD2-CB 4.5Å; L66-Q369 HydrophobicContact CD2-CB 4.47Å; L66-Q369 HydrophobicContact CD2-CG 4.38Å; I128-Q369 PolarHBondContact O-NE2 3.09Å; L129-Q369 HydrophobicContact CD1-CG 4.22Å; S154-Q369 PolarHBondContact OG-NE2 2.96Å; Q365-Q369 WeakPolarHBondContact O-CB 3.39Å; Q365-Q369 VanDerWaalsContact O-CG 3.27Å; Q365-Q369 WeakPolarHBondContact O-CG 3.41Å; Q365-Q369 PolarHBondContact O-N 3.02Å; M366-Q369 HydrophobicContact CE-CG 4.28Å; M366-Q369 PolarHBondContact O-N 3.08Å; Q369-E371 VanDerWaalsContact C-N 3.35Å; Q369-W373 WeakPolarHBondContact O-CB 3.43Å; Q369-W373 PolarHBondContact O-N 3.02Å |
| 370 | I | 98 | Very high | 96.6 | Very high | 12 Ų | 12 | 30.3 Ų | 30.3 | 6% | 0.062 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -60.4 | -46.7 | 175 | -69.6 | 162 | 0 | 0 | 0 | 110.4 | Y38 P43 L44 L69 M366 L367 W373 T374 | Y38-I370 HydrophobicContact CD2-CD1 4.11Å; Y38-I370 HydrophobicContact CE2-CD1 4.29Å; Y38-I370 HydrophobicContact CG-CD1 4.32Å; P43-I370 HydrophobicContact CG-CD1 4.47Å; P43-I370 HydrophobicContact CG-CG1 4.18Å; L44-I370 HydrophobicContact CD2-CG1 4.17Å; L44-I370 HydrophobicContact CG-CG1 4.37Å; L69-I370 HydrophobicContact CD2-CD1 3.73Å; L69-I370 HydrophobicContact CD2-CG1 4.1Å; M366-I370 WeakPolarHBondContact O-CB 3.14Å; M366-I370 WeakPolarHBondContact O-CD1 3.34Å; M366-I370 VanDerWaalsContact O-CG1 3.24Å; M366-I370 WeakPolarHBondContact O-CG1 3.38Å; M366-I370 PolarHBondContact O-N 3.21Å; L367-I370 PolarHBondContact O-N 2.82Å; I370-W373 PolarHBondContact O-N 3.31Å; I370-T374 HydrophobicContact CG2-CG2 4.26Å; I370-T374 WeakPolarHBondContact O-CB 3.29Å; I370-T374 WeakPolarHBondContact O-CG2 3.48Å; I370-T374 PolarHBondContact O-N 2.7Å; I370-T374 PolarHBondContact O-OG1 2.91Å |
| 371 | E | 97 | Very high | 96.5 | Very high | 16 Ų | 16 | 34.3 Ų | 34.3 | 8% | 0.075 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -66.8 | -46.7 | -174.2 | -170.3 | 62.9 | -161.7 | 0 | 0 | 111.5 | F178 L367 A368 Q369 W373 H375 R378 Y379 | F178-E371 HydrophobicContact CE2-CB 3.86Å; F178-E371 HydrophobicContact CE2-CG 3.85Å; F178-E371 HydrophobicContact CZ-CB 4.34Å; F178-E371 HydrophobicContact CZ-CG 3.88Å; L367-E371 WeakPolarHBondContact O-CB 3.43Å; L367-E371 PolarHBondContact O-N 3.49Å; A368-E371 PolarHBondContact O-N 3.31Å; Q369-E371 VanDerWaalsContact C-N 3.35Å; E371-W373 VanDerWaalsContact C-N 3.33Å; E371-W373 PolarHBondContact O-N 3.45Å; E371-H375 WeakPolarHBondContact O-CB 3.48Å; E371-H375 PolarHBondContact O-N 3.31Å; E371-H375 VanDerWaalsContact O-N 3.1Å; E371-H375 IonicContact OE1-CE1 3.82Å; E371-H375 IonicContact OE1-CG 3.43Å; E371-H375 IonicContact OE1-ND1 3.8Å; E371-H375 PolarHBondContact OE1-ND1 2.9Å; E371-H375 IonicContact OE2-CE1 3.86Å; E371-H375 PolarHBondContact OE2-CE1 3.26Å; E371-H375 IonicContact OE2-ND1 3.02Å; E371-H375 PolarHBondContact OE2-ND1 3.27Å; E371-R378 IonicContact OE1-CZ 2.63Å; E371-R378 IonicContact OE1-NE 2.78Å; E371-R378 IonicContact OE1-NH1 3.66Å; E371-R378 PolarHBondContact OE1-NH1 2.79Å; E371-Y379 HydrophobicContact CG-CE2 3.55Å; E371-Y379 WeakPolarHBondContact CG-OH 3.44Å; E371-Y379 PolarHBondContact OE1-OH 3.32Å |
| 372 | L | 97.3 | Very high | 96.5 | Very high | 4 Ų | 4 | 34.4 Ų | 34.4 | 2% | 0.021 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -61.6 | -40.9 | 174.1 | -73.3 | 164.9 | 0 | 0 | 0 | 112.1 | M127 R151 V153 P176 F178 A368 | M127-L372 HydrophobicContact CE-CB 3.72Å; M127-L372 HydrophobicContact CE-CD1 4.12Å; M127-L372 HydrophobicContact SD-CB 4.49Å; R151-L372 VanDerWaalsContact CD-O 3.23Å; R151-L372 WeakPolarHBondContact CD-O 3.36Å; R151-L372 WeakPolarHBondContact CG-O 3.42Å; V153-L372 VanDerWaalsContact O-CD1 3.31Å; V153-L372 WeakPolarHBondContact O-CD1 3.44Å; P176-L372 HydrophobicContact CB-CD2 4.21Å; P176-L372 HydrophobicContact CG-CD2 4.2Å; F178-L372 HydrophobicContact CD2-CD1 3.74Å; F178-L372 HydrophobicContact CD2-CD2 3.99Å; F178-L372 HydrophobicContact CD2-CG 3.54Å; F178-L372 HydrophobicContact CE2-CD1 4.49Å; F178-L372 HydrophobicContact CE2-CD2 4.12Å; F178-L372 HydrophobicContact CE2-CG 3.81Å; A368-L372 WeakPolarHBondContact O-CB 3.34Å; A368-L372 WeakPolarHBondContact O-CG 3.5Å; A368-L372 PolarHBondContact O-N 3Å |
| 373 | W | 98 | Very high | 96.5 | Very high | 30 Ų | 30 | 35.9 Ų | 35.9 | 11% | 0.114 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -75.1 | -46.9 | -175.6 | -174.6 | -108.3 | 0 | 0 | 0 | 112.7 | L44 K45 G46 A47 N126 M127 R151 Q369 I370 E371 | L44-W373 HydrophobicContact CD2-CB 3.84Å; L44-W373 HydrophobicContact CD2-CG 4.13Å; K45-W373 PolarHBondContact O-NE1 2.91Å; G46-W373 WeakPolarHBondContact O-CH2 3.28Å; A47-W373 HydrophobicContact CB-CD2 3.85Å; A47-W373 HydrophobicContact CB-CE3 4.11Å; A47-W373 HydrophobicContact CB-CG 4.27Å; A47-W373 HydrophobicContact CB-CZ2 4.28Å; A47-W373 HydrophobicContact CB-CZ3 4.46Å; N126-W373 HydrophobicContact CB-CZ3 4.39Å; N126-W373 WeakPolarHBondContact ND2-CH2 3.36Å; M127-W373 HydrophobicContact CG-CE3 3.7Å; M127-W373 HydrophobicContact CG-CZ3 4.21Å; M127-W373 HydrophobicContact SD-CE3 3.86Å; R151-W373 HydrophobicContact CB-CE3 4.22Å; R151-W373 HydrophobicContact CB-CZ3 4.26Å; R151-W373 WeakPolarHBondContact CD-O 3.42Å; R151-W373 HydrophobicContact CG-CE3 4.47Å; R151-W373 PolarHBondContact NH1-O 3.37Å; Q369-W373 WeakPolarHBondContact O-CB 3.43Å; Q369-W373 PolarHBondContact O-N 3.02Å; I370-W373 PolarHBondContact O-N 3.31Å; E371-W373 VanDerWaalsContact C-N 3.33Å; E371-W373 PolarHBondContact O-N 3.45Å |
| 374 | T | 97.1 | Very high | 96.4 | Very high | 61 Ų | 61 | 38 Ų | 38 | 37% | 0.374 | 22% | 0.217 | S | C | . | . | H | α-helix | trans | -87.9 | -25.1 | -170.6 | 61.8 | 0 | 0 | 0 | 0 | 113.5 | P43 I370 | P43-T374 HydrophobicContact CB-CG2 3.98Å; P43-T374 WeakPolarHBondContact O-CG2 3.42Å; I370-T374 HydrophobicContact CG2-CG2 4.26Å; I370-T374 WeakPolarHBondContact O-CB 3.29Å; I370-T374 WeakPolarHBondContact O-CG2 3.48Å; I370-T374 PolarHBondContact O-N 2.7Å; I370-T374 PolarHBondContact O-OG1 2.91Å |
| 375 | H | 95.4 | Very high | 96.2 | Very high | 85 Ų | 85 | 41.4 Ų | 41.4 | 39% | 0.394 | 24% | 0.239 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -108.3 | 45.6 | 177.9 | -57.7 | 106 | 0 | 0 | 0 | 111.8 | E371 G377 R378 | E371-H375 WeakPolarHBondContact O-CB 3.48Å; E371-H375 PolarHBondContact O-N 3.31Å; E371-H375 VanDerWaalsContact O-N 3.1Å; E371-H375 IonicContact OE1-CE1 3.82Å; E371-H375 IonicContact OE1-CG 3.43Å; E371-H375 IonicContact OE1-ND1 3.8Å; E371-H375 PolarHBondContact OE1-ND1 2.9Å; E371-H375 IonicContact OE2-CE1 3.86Å; E371-H375 PolarHBondContact OE2-CE1 3.26Å; E371-H375 IonicContact OE2-ND1 3.02Å; E371-H375 PolarHBondContact OE2-ND1 3.27Å; H375-G377 PolarHBondContact O-N 3.42Å; H375-R378 HydrophobicContact CB-CB 4.02Å; H375-R378 WeakPolarHBondContact O-CB 3.49Å; H375-R378 PolarHBondContact O-N 2.81Å |
| 376 | A | 85.5 | Confident | 96 | Very high | 60 Ų | 60 | 41.7 Ų | 41.7 | 50% | 0.496 | 24% | 0.24 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -52 | 128.6 | 178.6 | 0 | 0 | 0 | 0 | 0 | 111.4 | R151 | R151-A376 HydrophobicContact CG-CB 4.4Š|
| 377 | G | 88.6 | Confident | 95.7 | Very high | 81 Ų | 81 | 44 Ų | 44 | 84% | 0.835 | 26% | 0.255 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 88.8 | -9.3 | -178.2 | 0 | 0 | 0 | 0 | 0 | 115.2 | H375 Y379 | H375-G377 PolarHBondContact O-N 3.42Å; G377-Y379 VanDerWaalsContact C-N 3.33Å |
| 378 | R | 95 | Very high | 95.6 | Very high | 153 Ų | 153 | 44.9 Ų | 44.9 | 58% | 0.577 | 26% | 0.258 | S | S | * | . | S | Bend | trans | -68.7 | -33.1 | 173.8 | -174.9 | 178.3 | -174.7 | 175.1 | 7.3 | 112.7 | E371 H375 | E371-R378 IonicContact OE1-CZ 2.63Å; E371-R378 IonicContact OE1-NE 2.78Å; E371-R378 IonicContact OE1-NH1 3.66Å; E371-R378 PolarHBondContact OE1-NH1 2.79Å; H375-R378 HydrophobicContact CB-CB 4.02Å; H375-R378 WeakPolarHBondContact O-CB 3.49Å; H375-R378 PolarHBondContact O-N 2.81Å |
| 379 | Y | 95.4 | Very high | 95.4 | Very high | 32 Ų | 32 | 49.3 Ų | 49.3 | 13% | 0.125 | 28% | 0.278 | C | S | . | . | S | Bend | trans | -107.8 | 115.7 | -176.7 | -60.4 | -82.7 | 0 | 0 | 0 | 109.6 | F178 E371 G377 H384 | F178-Y379 HydrophobicContact CE1-CE1 4.12Å; F178-Y379 HydrophobicContact CE2-CE2 4.36Å; F178-Y379 HydrophobicContact CZ-CD1 4.17Å; F178-Y379 AromaticContact CZ-CE1 3.61Å; F178-Y379 HydrophobicContact CZ-CE1 3.61Å; F178-Y379 HydrophobicContact CZ-CE2 4.07Å; F178-Y379 AromaticContact CZ-CZ 3.56Å; E371-Y379 HydrophobicContact CG-CE2 3.55Å; E371-Y379 WeakPolarHBondContact CG-OH 3.44Å; E371-Y379 PolarHBondContact OE1-OH 3.32Å; G377-Y379 VanDerWaalsContact C-N 3.33Å; Y379-H384 HydrophobicContact CD1-CB 4.22Å; Y379-H384 AromaticContact CD1-CG 3.83Å |
| 380 | P | 96.3 | Very high | 95.3 | Very high | 90 Ų | 90 | 50.8 Ų | 50.8 | 58% | 0.584 | 29% | 0.285 | S | S | * | . | trans | -66.7 | 163.6 | 172.6 | 29.2 | -34.3 | 0 | 0 | 0 | 110.6 | G382 H384 | P380-G382 PolarHBondContact O-N 3.37Å; P380-G382 VanDerWaalsContact O-N 3.16Å; P380-H384 PolarHBondContact O-NE2 3.34Å | ||
| 381 | I | 97.2 | Very high | 95.3 | Very high | 90 Ų | 90 | 50.7 Ų | 50.7 | 46% | 0.462 | 29% | 0.285 | S | S | . | . | S | Bend | trans | -55 | 124.1 | 171.8 | -65.5 | 171.9 | 0 | 0 | 0 | 108.8 | H168 L173 K174 | H168-I381 PolarHBondContact CE1-O 2.88Å; L173-I381 HydrophobicContact CG-CG2 4.45Å; L173-I381 WeakPolarHBondContact O-CG2 3.03Å; K174-I381 WeakPolarHBondContact O-CD1 3.49Å |
| 382 | G | 97.5 | Very high | 95.3 | Very high | 3 Ų | 3 | 51.7 Ų | 51.7 | 3% | 0.031 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 155.5 | 177.8 | -170 | 0 | 0 | 0 | 0 | 0 | 111 | A177 P380 H384 | A177-G382 PolarHBondContact N-O 3.02Å; P380-G382 PolarHBondContact O-N 3.37Å; P380-G382 VanDerWaalsContact O-N 3.16Å; G382-H384 PolarHBondContact O-CD2 2.67Å |
| 383 | V | 98 | Very high | 95.3 | Very high | 30 Ų | 30 | 53.5 Ų | 53.5 | 18% | 0.182 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.9 | 120.4 | 179.2 | -173.7 | 0 | 0 | 0 | 0 | 108.5 | L164 M165 H168 L173 A177 N179 | L164-V383 HydrophobicContact CB-CG2 3.82Å; M165-V383 HydrophobicContact CG-CB 4.47Å; M165-V383 HydrophobicContact CG-CG1 4.43Å; M165-V383 HydrophobicContact CG-CG2 4.25Å; M165-V383 HydrophobicContact SD-CB 3.5Å; M165-V383 VanDerWaalsContact SD-CB 3.5Å; M165-V383 HydrophobicContact SD-CG1 3.87Å; M165-V383 HydrophobicContact SD-CG2 3.66Å; H168-V383 HydrophobicContact CB-CG2 4.49Å; L173-V383 HydrophobicContact CD2-CG2 4.13Å; A177-V383 WeakPolarHBondContact O-CA 3.28Å; N179-V383 HydrophobicContact CB-CG1 3.78Å |
| 384 | H | 97.2 | Very high | 95.3 | Very high | 44 Ų | 44 | 52.1 Ų | 52.1 | 20% | 0.204 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.9 | 153.9 | -174.8 | -53.6 | -81.6 | 0 | 0 | 0 | 110.1 | A177 F178 N179 Y379 P380 G382 | A177-H384 PolarHBondContact O-N 2.71Å; F178-H384 CarbonylContact C-O 3.6Å; F178-H384 WeakPolarHBondContact CA-O 3.24Å; F178-H384 HydrophobicContact CD1-CB 3.97Å; F178-H384 WeakPolarHBondContact CD1-O 3.34Å; F178-H384 HydrophobicContact CE1-CB 3.88Å; N179-H384 WeakPolarHBondContact CB-O 3.41Å; N179-H384 PolarHBondContact N-O 3.26Å; Y379-H384 HydrophobicContact CD1-CB 4.22Å; Y379-H384 AromaticContact CD1-CG 3.83Å; P380-H384 PolarHBondContact O-NE2 3.34Å; G382-H384 PolarHBondContact O-CD2 2.67Å |
| 385 | V | 95.1 | Very high | 95.4 | Very high | 73 Ų | 73 | 50.9 Ų | 50.9 | 44% | 0.442 | 29% | 0.289 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.6 | 147.5 | 169.5 | -177.4 | 0 | 0 | 0 | 0 | 108.3 | F178 N179 D182 | F178-V385 WeakPolarHBondContact CE1-O 3.36Å; N179-V385 HydrophobicContact CB-CG2 4.36Å; D182-V385 HydrophobicContact CB-CG2 4.39Å |
| 386 | L | 93.4 | Very high | 95.5 | Very high | 6 Ų | 6 | 49.2 Ų | 49.2 | 3% | 0.031 | 29% | 0.289 | C | S | . | . | P | Polyproline II helix | trans | -55.8 | 139.7 | 175.5 | -82.5 | 166.6 | 0 | 0 | 0 | 110.6 | F178 N364 L367 A368 K388 L390 | F178-L386 HydrophobicContact CD1-CD2 4.34Å; F178-L386 HydrophobicContact CD1-CG 4.18Å; F178-L386 HydrophobicContact CE1-CD2 4.13Å; F178-L386 HydrophobicContact CE1-CG 4.31Å; F178-L386 HydrophobicContact CE2-CD2 4.39Å; F178-L386 HydrophobicContact CZ-CD2 4.15Å; N364-L386 HydrophobicContact CB-CD1 3.82Å; N364-L386 WeakPolarHBondContact O-CD1 3.48Å; N364-L386 WeakPolarHBondContact OD1-CD1 3.4Å; L367-L386 HydrophobicContact CB-CD2 4.44Å; A368-L386 HydrophobicContact CB-CD1 4.31Å; A368-L386 HydrophobicContact CB-CD2 4.26Å; A368-L386 HydrophobicContact CB-CG 4.46Å; L386-K388 PolarHBondContact O-N 2.82Å; L386-L390 HydrophobicContact CD2-CD1 3.96Å |
| 387 | P | 93.2 | Very high | 96.1 | Very high | 47 Ų | 47 | 48.6 Ų | 48.6 | 31% | 0.305 | 28% | 0.278 | S | S | . | . | P | Polyproline II helix | trans | -52.9 | 135.9 | 174 | -25.7 | 32.1 | 0 | 0 | 0 | 111.4 | K389 L390 D391 | P387-K389 PolarHBondContact O-N 3.07Å; P387-L390 HydrophobicContact CG-CD1 4.38Å; P387-L390 WeakPolarHBondContact O-CB 3.29Å; P387-L390 PolarHBondContact O-N 2.86Å; P387-D391 PolarHBondContact O-N 2.67Å |
| 388 | K | 95.2 | Very high | 96.6 | Very high | 25 Ų | 25 | 45 Ų | 45 | 11% | 0.109 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -52.1 | -31 | -178.4 | -164.7 | 176.7 | -48.2 | -58.4 | 0 | 113.9 | L386 L390 D391 E392 P424 K426 N427 E428 | L386-K388 PolarHBondContact O-N 2.82Å; K388-L390 VanDerWaalsContact C-N 3.31Å; K388-L390 PolarHBondContact O-N 2.88Å; K388-D391 WeakPolarHBondContact O-CB 3.38Å; K388-D391 PolarHBondContact O-N 2.79Å; K388-E392 WeakPolarHBondContact O-CG 3.45Å; K388-E392 PolarHBondContact O-N 3.48Å; K388-P424 HydrophobicContact CB-CB 4.28Å; K388-P424 HydrophobicContact CD-CB 4.06Å; K388-P424 HydrophobicContact CG-CB 4.27Å; K388-K426 HydrophobicContact CD-CB 4.35Å; K388-K426 WeakPolarHBondContact CD-O 3.31Å; K388-K426 WeakPolarHBondContact CE-O 3.38Å; K388-N427 VanDerWaalsContact CE-C 3.49Å; K388-N427 WeakPolarHBondContact CE-O 3.43Å; K388-N427 PolarHBondContact NZ-O 3.22Å; K388-E428 WeakPolarHBondContact CE-OE2 3.4Å; K388-E428 IonicContact NZ-OE2 3.65Å; K388-E428 PolarHBondContact NZ-OE2 3.43Å |
| 389 | K | 95.2 | Very high | 96.8 | Very high | 94 Ų | 94 | 40.3 Ų | 40.3 | 41% | 0.409 | 23% | 0.225 | S | C | . | . | H | α-helix | trans | -62.2 | -37.5 | 176.4 | -174.9 | 59.8 | -170.1 | 154.6 | 0 | 113.2 | P387 E393 N422 P424 | P387-K389 PolarHBondContact O-N 3.07Å; K389-E393 PolarHBondContact O-N 3.25Å; K389-E393 VanDerWaalsContact O-N 3.1Å; K389-N422 PolarHBondContact NZ-O 2.92Å; K389-P424 HydrophobicContact CB-CG 4.22Å |
| 390 | L | 95.8 | Very high | 96.8 | Very high | 30 Ų | 30 | 47.8 Ų | 47.8 | 16% | 0.157 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -73.7 | -36.5 | 176.1 | -65.5 | -174.6 | 0 | 0 | 0 | 110.8 | L367 L386 P387 K388 E393 V394 | L367-L390 HydrophobicContact CB-CD1 4.49Å; L367-L390 HydrophobicContact CD1-CB 4.15Å; L386-L390 HydrophobicContact CD2-CD1 3.96Å; P387-L390 HydrophobicContact CG-CD1 4.38Å; P387-L390 WeakPolarHBondContact O-CB 3.29Å; P387-L390 PolarHBondContact O-N 2.86Å; K388-L390 VanDerWaalsContact C-N 3.31Å; K388-L390 PolarHBondContact O-N 2.88Å; L390-E393 WeakPolarHBondContact O-CB 3.46Å; L390-E393 PolarHBondContact O-N 3.29Å; L390-E393 VanDerWaalsContact O-N 3.17Å; L390-V394 WeakPolarHBondContact O-CG2 3.2Å; L390-V394 PolarHBondContact O-N 3.49Å |
| 391 | D | 97.3 | Very high | 96.9 | Very high | 10 Ų | 10 | 46.8 Ų | 46.8 | 5% | 0.053 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -62.2 | -44.6 | 174.7 | -156.1 | -8.8 | 0 | 0 | 0 | 112 | V184 T185 P387 K388 E393 V394 A395 | V184-D391 WeakPolarHBondContact CA-OD2 3.22Å; V184-D391 WeakPolarHBondContact CB-OD2 3.5Å; V184-D391 PolarHBondContact N-OD1 3.34Å; V184-D391 PolarHBondContact N-OD2 3.12Å; T185-D391 VanDerWaalsContact CB-OD1 3.3Å; T185-D391 WeakPolarHBondContact CB-OD1 3.42Å; T185-D391 VanDerWaalsContact CG2-O 3.28Å; T185-D391 WeakPolarHBondContact CG2-O 3.17Å; T185-D391 VanDerWaalsContact CG2-OD1 3.3Å; T185-D391 WeakPolarHBondContact CG2-OD1 3.45Å; T185-D391 PolarHBondContact N-OD1 2.86Å; T185-D391 PolarHBondContact OG1-OD1 2.86Å; P387-D391 PolarHBondContact O-N 2.67Å; K388-D391 WeakPolarHBondContact O-CB 3.38Å; K388-D391 PolarHBondContact O-N 2.79Å; D391-E393 VanDerWaalsContact C-N 3.32Å; D391-E393 PolarHBondContact O-N 3.36Å; D391-V394 WeakPolarHBondContact O-CB 3.38Å; D391-V394 PolarHBondContact O-N 2.89Å; D391-A395 PolarHBondContact O-N 2.98Å |
| 392 | E | 98 | Very high | 96.9 | Very high | 37 Ų | 37 | 47.6 Ų | 47.6 | 17% | 0.173 | 25% | 0.25 | C | C | . | . | H | α-helix | trans | -63.2 | -36.2 | 171.5 | -71.9 | 174.4 | 173.5 | 0 | 0 | 112.6 | K388 A395 A396 P424 F425 | K388-E392 WeakPolarHBondContact O-CG 3.45Å; K388-E392 PolarHBondContact O-N 3.48Å; E392-A395 PolarHBondContact O-N 3.13Å; E392-A396 WeakPolarHBondContact O-CB 3.22Å; E392-A396 PolarHBondContact O-N 3.28Å; E392-P424 WeakPolarHBondContact OE1-CA 3.15Å; E392-P424 WeakPolarHBondContact OE2-CA 3.45Å; E392-F425 WeakPolarHBondContact OE1-CD2 3.3Å; E392-F425 PolarHBondContact OE1-N 3.26Å |
| 393 | E | 97.4 | Very high | 97 | Very high | 43 Ų | 43 | 56.6 Ų | 56.6 | 20% | 0.201 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -61.9 | -44.6 | 174.1 | -179.7 | 172.5 | -178.2 | 0 | 0 | 110.6 | K37 K389 L390 D391 A395 A396 L397 | K37-E393 IonicContact NZ-OE1 2.59Å; K37-E393 PolarHBondContact NZ-OE1 2.94Å; K37-E393 IonicContact NZ-OE2 2.67Å; K389-E393 PolarHBondContact O-N 3.25Å; K389-E393 VanDerWaalsContact O-N 3.1Å; L390-E393 WeakPolarHBondContact O-CB 3.46Å; L390-E393 PolarHBondContact O-N 3.29Å; L390-E393 VanDerWaalsContact O-N 3.17Å; D391-E393 VanDerWaalsContact C-N 3.32Å; D391-E393 PolarHBondContact O-N 3.36Å; E393-A395 VanDerWaalsContact C-N 3.33Å; E393-A395 PolarHBondContact O-N 3.21Å; E393-A396 PolarHBondContact O-N 2.9Å; E393-L397 HydrophobicContact CG-CD1 4.2Å; E393-L397 HydrophobicContact CG-CG 4.31Å; E393-L397 VanDerWaalsContact O-CG 3.28Å; E393-L397 WeakPolarHBondContact O-CG 3.49Å; E393-L397 PolarHBondContact O-N 3.09Å |
| 394 | V | 98.4 | Very high | 96.9 | Very high | 0 Ų | 0 | 57.5 Ų | 57.5 | 0% | 0 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -54.2 | -50.9 | 174.7 | 175.2 | 0 | 0 | 0 | 0 | 110.2 | T185 T360 T363 L367 L390 D391 A396 L397 H398 | T185-V394 HydrophobicContact CG2-CB 4.09Å; T185-V394 HydrophobicContact CG2-CG1 4.05Å; T185-V394 WeakPolarHBondContact OG1-CB 3.4Å; T185-V394 WeakPolarHBondContact OG1-CG1 3.41Å; T360-V394 WeakPolarHBondContact O-CG1 3.48Å; T363-V394 HydrophobicContact CG2-CB 4.48Å; T363-V394 HydrophobicContact CG2-CG1 4.38Å; T363-V394 HydrophobicContact CG2-CG2 3.83Å; L367-V394 HydrophobicContact CD1-CG2 3.71Å; L390-V394 WeakPolarHBondContact O-CG2 3.2Å; L390-V394 PolarHBondContact O-N 3.49Å; D391-V394 WeakPolarHBondContact O-CB 3.38Å; D391-V394 PolarHBondContact O-N 2.89Å; V394-A396 PolarHBondContact O-N 2.84Å; V394-L397 PolarHBondContact O-N 3.32Å; V394-H398 PolarHBondContact O-CE1 3.28Å; V394-H398 PolarHBondContact O-ND1 3.01Å |
| 395 | A | 98.6 | Very high | 97 | Very high | 35 Ų | 35 | 64.4 Ų | 64.4 | 29% | 0.289 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -58.7 | -48.8 | 179.3 | 0 | 0 | 0 | 0 | 0 | 111.5 | T185 D391 E392 E393 L397 H398 L399 | T185-A395 HydrophobicContact CG2-CB 3.71Å; D391-A395 PolarHBondContact O-N 2.98Å; E392-A395 PolarHBondContact O-N 3.13Å; E393-A395 VanDerWaalsContact C-N 3.33Å; E393-A395 PolarHBondContact O-N 3.21Å; A395-L397 VanDerWaalsContact C-N 3.29Å; A395-L397 PolarHBondContact O-N 3.33Å; A395-H398 PolarHBondContact O-N 3.27Å; A395-L399 PolarHBondContact O-N 3.36Å |
| 396 | A | 98 | Very high | 97.1 | Very high | 50 Ų | 50 | 66.3 Ų | 66.3 | 41% | 0.413 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -58.4 | -38.4 | -178.2 | 0 | 0 | 0 | 0 | 0 | 112.8 | E392 E393 V394 H398 L399 | E392-A396 WeakPolarHBondContact O-CB 3.22Å; E392-A396 PolarHBondContact O-N 3.28Å; E393-A396 PolarHBondContact O-N 2.9Å; V394-A396 PolarHBondContact O-N 2.84Å; A396-H398 PolarHBondContact O-N 3.31Å; A396-L399 PolarHBondContact O-N 2.86Å |
| 397 | L | 98.2 | Very high | 97.3 | Very high | 47 Ų | 47 | 72.1 Ų | 72.1 | 25% | 0.246 | 37% | 0.374 | C | S | . | . | H | α-helix | trans | -63.5 | -21 | 179 | -69.9 | 177 | 0 | 0 | 0 | 113.7 | A33 T363 E393 V394 A395 | A33-L397 HydrophobicContact CB-CD1 4.19Å; A33-L397 HydrophobicContact CB-CD2 3.62Å; A33-L397 HydrophobicContact CB-CG 4.34Å; T363-L397 HydrophobicContact CG2-CD1 4.14Å; E393-L397 HydrophobicContact CG-CD1 4.2Å; E393-L397 HydrophobicContact CG-CG 4.31Å; E393-L397 VanDerWaalsContact O-CG 3.28Å; E393-L397 WeakPolarHBondContact O-CG 3.49Å; E393-L397 PolarHBondContact O-N 3.09Å; V394-L397 PolarHBondContact O-N 3.32Å; A395-L397 VanDerWaalsContact C-N 3.29Å; A395-L397 PolarHBondContact O-N 3.33Å |
| 398 | H | 98.7 | Very high | 97.5 | Very high | 7 Ų | 7 | 76.5 Ų | 76.5 | 3% | 0.032 | 39% | 0.394 | C | S | . | . | H | α-helix | trans | -95.4 | -21.9 | -178.7 | -65.4 | 76 | 0 | 0 | 0 | 113.2 | P29 F356 S359 T360 V394 A395 A396 K400 K401 | P29-H398 HydrophobicContact CG-CB 4.45Å; F356-H398 HydrophobicContact CZ-CB 3.92Å; S359-H398 VanDerWaalsContact C-NE2 3.31Å; S359-H398 WeakPolarHBondContact CB-NE2 3.37Å; S359-H398 PolarHBondContact OG-NE2 3.3Å; T360-H398 PolarHBondContact N-NE2 2.95Å; V394-H398 PolarHBondContact O-CE1 3.28Å; V394-H398 PolarHBondContact O-ND1 3.01Å; A395-H398 PolarHBondContact O-N 3.27Å; A396-H398 PolarHBondContact O-N 3.31Å; H398-K400 PolarHBondContact O-N 3.19Å; H398-K401 PolarHBondContact O-N 3.34Å |
| 399 | L | 98.3 | Very high | 97.6 | Very high | 53 Ų | 53 | 77.5 Ų | 77.5 | 28% | 0.277 | 40% | 0.4 | S | S | . | . | H | α-helix | trans | -60.3 | -40.4 | -173.4 | -67.2 | -176.5 | 0 | 0 | 0 | 113.5 | A395 A396 K401 L402 K403 A404 L406 | A395-L399 PolarHBondContact O-N 3.36Å; A396-L399 PolarHBondContact O-N 2.86Å; L399-K401 VanDerWaalsContact C-N 3.29Å; L399-K401 PolarHBondContact O-N 3.14Å; L399-L402 CarbonylContact O-C 3.5Å; L399-L402 PolarHBondContact O-N 3.01Å; L399-K403 PolarHBondContact O-N 3.01Å; L399-A404 HydrophobicContact CB-CB 4.07Å; L399-A404 HydrophobicContact CD2-CB 4.06Å; L399-A404 PolarHBondContact O-N 3.03Å; L399-L406 HydrophobicContact CD1-CB 4.32Å; L399-L406 HydrophobicContact CD1-CD1 4.24Å |
| 400 | K | 96.3 | Very high | 97.7 | Very high | 189 Ų | 189 | 76.7 Ų | 76.7 | 82% | 0.822 | 40% | 0.403 | S | S | * | . | G | 310 helix | trans | -59.5 | -40 | -178.3 | -176.4 | 179.3 | 178.3 | -177.3 | 0 | 112.1 | H398 L402 K403 | H398-K400 PolarHBondContact O-N 3.19Å; K400-L402 PolarHBondContact O-N 3.07Å; K400-K403 PolarHBondContact O-N 2.97Å |
| 401 | K | 97.7 | Very high | 97.9 | Very high | 69 Ų | 69 | 80 Ų | 80 | 30% | 0.3 | 42% | 0.421 | S | S | . | . | G | 310 helix | trans | -63.1 | -32.8 | 178.8 | 179.2 | 69.1 | -178.5 | -160.6 | 0 | 111.5 | N26 E27 P29 F356 H398 L399 K403 | N26-K401 PolarHBondContact ND2-NZ 2.85Å; N26-K401 WeakPolarHBondContact O-CE 3.45Å; N26-K401 PolarHBondContact O-NZ 3.36Å; N26-K401 PolarHBondContact OD1-NZ 3.19Å; E27-K401 WeakPolarHBondContact OE1-CE 3.28Å; E27-K401 IonicContact OE1-NZ 3.57Å; E27-K401 PolarHBondContact OE1-NZ 3.1Å; P29-K401 HydrophobicContact CB-CB 4.22Å; P29-K401 HydrophobicContact CG-CB 3.92Å; P29-K401 HydrophobicContact CG-CG 4.27Å; F356-K401 HydrophobicContact CD2-CG 4.28Å; F356-K401 HydrophobicContact CE2-CB 4.08Å; F356-K401 HydrophobicContact CE2-CG 3.79Å; H398-K401 PolarHBondContact O-N 3.34Å; L399-K401 VanDerWaalsContact C-N 3.29Å; L399-K401 PolarHBondContact O-N 3.14Å; K401-K403 VanDerWaalsContact C-N 3.3Å |
| 402 | L | 98.1 | Very high | 97.9 | Very high | 108 Ų | 108 | 83 Ų | 83 | 57% | 0.565 | 45% | 0.447 | S | S | * | . | G | 310 helix | trans | -87.8 | 5.7 | 176.9 | -57.3 | -177.8 | 0 | 0 | 0 | 113.6 | F356 L399 K400 A404 | F356-L402 HydrophobicContact CE1-CD1 3.97Å; F356-L402 HydrophobicContact CE1-CD2 4.25Å; F356-L402 HydrophobicContact CE1-CG 4.32Å; F356-L402 HydrophobicContact CE2-CD2 3.93Å; F356-L402 HydrophobicContact CE2-CG 4.13Å; F356-L402 HydrophobicContact CZ-CD1 3.63Å; F356-L402 HydrophobicContact CZ-CD2 3.68Å; F356-L402 HydrophobicContact CZ-CG 3.58Å; L399-L402 CarbonylContact O-C 3.5Å; L399-L402 PolarHBondContact O-N 3.01Å; K400-L402 PolarHBondContact O-N 3.07Å; L402-A404 PolarHBondContact O-N 2.73Å |
| 403 | K | 97.9 | Very high | 98 | Very high | 192 Ų | 192 | 85.5 Ų | 85.5 | 84% | 0.835 | 46% | 0.459 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 56.2 | 29.9 | -176.1 | -51.3 | 177 | -178.3 | 177.1 | 0 | 112.9 | L399 K400 K401 | L399-K403 PolarHBondContact O-N 3.01Å; K400-K403 PolarHBondContact O-N 2.97Å; K401-K403 VanDerWaalsContact C-N 3.3Å |
| 404 | A | 97.9 | Very high | 98 | Very high | 48 Ų | 48 | 83.7 Ų | 83.7 | 40% | 0.397 | 45% | 0.452 | S | S | . | . | trans | -83.9 | 132.2 | 174.6 | 0 | 0 | 0 | 0 | 0 | 110.1 | L399 L402 | L399-A404 HydrophobicContact CB-CB 4.07Å; L399-A404 HydrophobicContact CD2-CB 4.06Å; L399-A404 PolarHBondContact O-N 3.03Å; L402-A404 PolarHBondContact O-N 2.73Å | ||
| 405 | E | 97.5 | Very high | 98 | Very high | 189 Ų | 189 | 90.1 Ų | 90.1 | 88% | 0.883 | 49% | 0.486 | S | S | * | . | trans | -105.7 | 116.1 | 175.9 | -65.1 | -174.4 | 169.9 | 0 | 0 | 109.5 | ||||
| 406 | L | 97.1 | Very high | 98 | Very high | 113 Ų | 113 | 98.1 Ų | 98.1 | 59% | 0.592 | 51% | 0.51 | S | S | * | . | P | Polyproline II helix | trans | -81.8 | 126.4 | -177.3 | -168.2 | 66.6 | 0 | 0 | 0 | 110.4 | L399 | L399-L406 HydrophobicContact CD1-CB 4.32Å; L399-L406 HydrophobicContact CD1-CD1 4.24Å |
| 407 | T | 97.8 | Very high | 98 | Very high | 129 Ų | 129 | 100.4 Ų | 100.4 | 79% | 0.791 | 52% | 0.515 | S | S | * | . | P | Polyproline II helix | trans | -67.4 | 134.3 | 171.5 | -61.9 | 0 | 0 | 0 | 0 | 110.1 | ||
| 408 | L | 97.4 | Very high | 97.9 | Very high | 138 Ų | 138 | 101.5 Ų | 101.5 | 72% | 0.723 | 54% | 0.537 | S | S | * | . | P | Polyproline II helix | trans | -98.8 | 134.9 | 175.5 | -57.6 | -179.4 | 0 | 0 | 0 | 110.1 | T410 | L408-T410 PolarHBondContact O-N 2.93Š|
| 409 | L | 97.9 | Very high | 97.8 | Very high | 47 Ų | 47 | 103.3 Ų | 103.3 | 25% | 0.246 | 55% | 0.549 | C | S | . | . | P | Polyproline II helix | trans | -64.5 | 133.8 | 171.9 | -69.3 | 172.3 | 0 | 0 | 0 | 109.9 | Q413 A414 L417 V419 K421 F425 | L409-Q413 HydrophobicContact CB-CB 4.47Å; L409-Q413 HydrophobicContact CD2-CB 3.81Å; L409-A414 HydrophobicContact CB-CB 4.45Å; L409-A414 HydrophobicContact CD1-CB 4.49Å; L409-L417 HydrophobicContact CD1-CD1 4.38Å; L409-L417 HydrophobicContact CD2-CD1 4.07Å; L409-V419 HydrophobicContact CD1-CG2 3.91Å; L409-K421 HydrophobicContact CB-CB 4.35Å; L409-F425 HydrophobicContact CD1-CD1 4.37Å; L409-F425 HydrophobicContact CD1-CE1 4.25Å |
| 410 | T | 98.4 | Very high | 97.7 | Very high | 77 Ų | 77 | 105.4 Ų | 105.4 | 47% | 0.472 | 56% | 0.56 | S | S | . | * | P | Polyproline II helix | trans | -68.6 | 158 | 160.8 | 62 | 0 | 0 | 0 | 0 | 109.7 | L408 A412 Q413 A414 | L408-T410 PolarHBondContact O-N 2.93Å; T410-A412 PolarHBondContact O-N 2.56Å; T410-Q413 PolarHBondContact O-N 3.19Å; T410-Q413 VanDerWaalsContact O-N 3.09Å; T410-Q413 VanDerWaalsContact OG1-CG 3.28Å; T410-Q413 WeakPolarHBondContact OG1-CG 3.49Å; T410-Q413 PolarHBondContact OG1-N 2.82Å; T410-Q413 PolarHBondContact OG1-OE1 2.82Å; T410-A414 PolarHBondContact O-N 2.96Å |
| 411 | D | 98.6 | Very high | 97.7 | Very high | 98 Ų | 98 | 100.8 Ų | 100.8 | 52% | 0.524 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -57.6 | -40 | 178 | -63.4 | -34 | 0 | 0 | 0 | 111.2 | Q413 A414 D415 K421 | D411-Q413 VanDerWaalsContact C-N 3.34Å; D411-Q413 PolarHBondContact O-N 2.84Å; D411-A414 PolarHBondContact O-N 3.13Å; D411-D415 PolarHBondContact O-N 2.72Å; D411-K421 VanDerWaalsContact OD1-CD 3.28Å; D411-K421 WeakPolarHBondContact OD1-CD 3.42Å; D411-K421 IonicContact OD1-NZ 2.74Å; D411-K421 PolarHBondContact OD1-NZ 3.02Å; D411-K421 IonicContact OD2-NZ 3.97Å |
| 412 | A | 98.6 | Very high | 97.6 | Very high | 73 Ų | 73 | 102.3 Ų | 102.3 | 60% | 0.603 | 55% | 0.552 | S | S | * | * | H | α-helix | trans | -62.5 | -36.2 | 176.8 | 0 | 0 | 0 | 0 | 0 | 113.6 | T410 Y416 | T410-A412 PolarHBondContact O-N 2.56Å; A412-Y416 WeakPolarHBondContact O-CB 3.3Å; A412-Y416 PolarHBondContact O-N 3.15Å; A412-Y416 VanDerWaalsContact O-N 3.08Å |
| 413 | Q | 98.7 | Very high | 97.5 | Very high | 90 Ų | 90 | 97.5 Ų | 97.5 | 42% | 0.421 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -73.3 | -39.2 | 176.1 | -71.5 | 164.9 | -40 | 0 | 0 | 111.8 | L409 T410 D411 Y416 L417 | L409-Q413 HydrophobicContact CB-CB 4.47Å; L409-Q413 HydrophobicContact CD2-CB 3.81Å; T410-Q413 PolarHBondContact O-N 3.19Å; T410-Q413 VanDerWaalsContact O-N 3.09Å; T410-Q413 VanDerWaalsContact OG1-CG 3.28Å; T410-Q413 WeakPolarHBondContact OG1-CG 3.49Å; T410-Q413 PolarHBondContact OG1-N 2.82Å; T410-Q413 PolarHBondContact OG1-OE1 2.82Å; D411-Q413 VanDerWaalsContact C-N 3.34Å; D411-Q413 PolarHBondContact O-N 2.84Å; Q413-Y416 PolarHBondContact O-N 2.68Å; Q413-L417 WeakPolarHBondContact O-CB 3.33Å; Q413-L417 WeakPolarHBondContact O-CG 3.13Å; Q413-L417 PolarHBondContact O-N 2.95Å |
| 414 | A | 98.4 | Very high | 97.5 | Very high | 6 Ų | 6 | 91.2 Ų | 91.2 | 5% | 0.05 | 51% | 0.507 | C | S | . | . | H | α-helix | trans | -62.4 | -45.4 | 177 | 0 | 0 | 0 | 0 | 0 | 111 | L409 T410 D411 L417 G418 V419 K421 | L409-A414 HydrophobicContact CB-CB 4.45Å; L409-A414 HydrophobicContact CD1-CB 4.49Å; T410-A414 PolarHBondContact O-N 2.96Å; D411-A414 PolarHBondContact O-N 3.13Å; A414-L417 PolarHBondContact O-N 3.37Å; A414-G418 PolarHBondContact O-N 2.87Å; A414-V419 WeakPolarHBondContact CB-O 3.42Å; A414-V419 PolarHBondContact O-N 2.93Å; A414-V419 VanDerWaalsContact O-N 3.14Å; A414-K421 HydrophobicContact CB-CB 3.86Å |
| 415 | D | 98.2 | Very high | 97.5 | Very high | 135 Ų | 135 | 92.5 Ų | 92.5 | 72% | 0.722 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -61.7 | -44.5 | 175 | -71.5 | -14.5 | 0 | 0 | 0 | 111.6 | D411 L417 G418 | D411-D415 PolarHBondContact O-N 2.72Å; D415-L417 PolarHBondContact O-N 2.86Å; D415-G418 PolarHBondContact O-N 3.18Å |
| 416 | Y | 98.4 | Very high | 97.5 | Very high | 202 Ų | 202 | 88 Ų | 88 | 79% | 0.792 | 48% | 0.481 | S | S | * | . | H | α-helix | trans | -60.7 | -42.2 | 177.4 | 176.8 | -95.6 | 0 | 0 | 0 | 112.8 | A412 Q413 G418 | A412-Y416 WeakPolarHBondContact O-CB 3.3Å; A412-Y416 PolarHBondContact O-N 3.15Å; A412-Y416 VanDerWaalsContact O-N 3.08Å; Q413-Y416 PolarHBondContact O-N 2.68Å; Y416-G418 VanDerWaalsContact C-N 3.32Å |
| 417 | L | 97.8 | Very high | 97.3 | Very high | 99 Ų | 99 | 87.7 Ų | 87.7 | 52% | 0.518 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -79.2 | -15.7 | 179.8 | -69.9 | 174.6 | 0 | 0 | 0 | 113 | L409 Q413 A414 D415 V419 | L409-L417 HydrophobicContact CD1-CD1 4.38Å; L409-L417 HydrophobicContact CD2-CD1 4.07Å; Q413-L417 WeakPolarHBondContact O-CB 3.33Å; Q413-L417 WeakPolarHBondContact O-CG 3.13Å; Q413-L417 PolarHBondContact O-N 2.95Å; A414-L417 PolarHBondContact O-N 3.37Å; D415-L417 PolarHBondContact O-N 2.86Å; L417-V419 VanDerWaalsContact C-N 3.31Å; L417-V419 HydrophobicContact CB-CG1 4.35Å; L417-V419 HydrophobicContact CB-CG2 3.83Å; L417-V419 HydrophobicContact CD1-CG2 4.34Å |
| 418 | G | 97 | Very high | 97.1 | Very high | 70 Ų | 70 | 88.1 Ų | 88.1 | 72% | 0.722 | 47% | 0.473 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 65.2 | 33.9 | -173.3 | 0 | 0 | 0 | 0 | 0 | 112.9 | A414 D415 Y416 | A414-G418 PolarHBondContact O-N 2.87Å; D415-G418 PolarHBondContact O-N 3.18Å; Y416-G418 VanDerWaalsContact C-N 3.32Å |
| 419 | V | 96.4 | Very high | 96.9 | Very high | 45 Ų | 45 | 88.5 Ų | 88.5 | 27% | 0.273 | 48% | 0.476 | S | S | . | . | S | Bend | trans | -123.4 | 151.6 | 179.9 | -57.8 | 0 | 0 | 0 | 0 | 110.9 | L409 A414 L417 K421 | L409-V419 HydrophobicContact CD1-CG2 3.91Å; A414-V419 WeakPolarHBondContact CB-O 3.42Å; A414-V419 PolarHBondContact O-N 2.93Å; A414-V419 VanDerWaalsContact O-N 3.14Å; L417-V419 VanDerWaalsContact C-N 3.31Å; L417-V419 HydrophobicContact CB-CG1 4.35Å; L417-V419 HydrophobicContact CB-CG2 3.83Å; L417-V419 HydrophobicContact CD1-CG2 4.34Å; V419-K421 PolarHBondContact O-N 3.34Å |
| 420 | N | 96.3 | Very high | 96.9 | Very high | 97 Ų | 97 | 91.4 Ų | 91.4 | 52% | 0.519 | 49% | 0.485 | S | S | . | . | trans | -65.5 | 133.3 | 171 | -171.9 | -47.3 | 0 | 0 | 0 | 109.2 | N422 G423 | N420-N422 PolarHBondContact O-N 3.48Å; N420-N422 PolarHBondContact OD1-N 2.91Å; N420-G423 WeakPolarHBondContact CB-O 3.19Å; N420-G423 PolarHBondContact O-N 3.33Å | ||
| 421 | K | 96.7 | Very high | 96.7 | Very high | 91 Ų | 91 | 98.4 Ų | 98.4 | 40% | 0.396 | 50% | 0.502 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -59.8 | -19.8 | 179 | 72.5 | -178.3 | -176.7 | -177.2 | 0 | 114.4 | L409 D411 A414 V419 F425 | L409-K421 HydrophobicContact CB-CB 4.35Å; D411-K421 VanDerWaalsContact OD1-CD 3.28Å; D411-K421 WeakPolarHBondContact OD1-CD 3.42Å; D411-K421 IonicContact OD1-NZ 2.74Å; D411-K421 PolarHBondContact OD1-NZ 3.02Å; D411-K421 IonicContact OD2-NZ 3.97Å; A414-K421 HydrophobicContact CB-CB 3.86Å; V419-K421 PolarHBondContact O-N 3.34Å; K421-F425 WeakPolarHBondContact O-CE1 3.13Å |
| 422 | N | 95.9 | Very high | 96 | Very high | 101 Ų | 101 | 98.3 Ų | 98.3 | 54% | 0.54 | 50% | 0.495 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -103.2 | 11.9 | 174.9 | -61.1 | -43.8 | 0 | 0 | 0 | 112.6 | K389 N420 | K389-N422 PolarHBondContact NZ-O 2.92Å; N420-N422 PolarHBondContact O-N 3.48Å; N420-N422 PolarHBondContact OD1-N 2.91Å |
| 423 | G | 95.6 | Very high | 95.8 | Very high | 7 Ų | 7 | 99.6 Ų | 99.6 | 7% | 0.072 | 49% | 0.49 | C | S | . | . | S | Bend | trans | 77.6 | 179.5 | 179.9 | 0 | 0 | 0 | 0 | 0 | 115.2 | N420 | N420-G423 WeakPolarHBondContact CB-O 3.19Å; N420-G423 PolarHBondContact O-N 3.33Å |
| 424 | P | 97.1 | Very high | 95.7 | Very high | 60 Ų | 60 | 100.1 Ų | 100.1 | 39% | 0.39 | 49% | 0.494 | S | S | . | . | cis | -62.1 | 140.4 | 3 | -19.9 | 31.6 | 0 | 0 | 0 | 113.6 | K388 K389 E392 | K388-P424 HydrophobicContact CB-CB 4.28Å; K388-P424 HydrophobicContact CD-CB 4.06Å; K388-P424 HydrophobicContact CG-CB 4.27Å; K389-P424 HydrophobicContact CB-CG 4.22Å; E392-P424 WeakPolarHBondContact OE1-CA 3.15Å; E392-P424 WeakPolarHBondContact OE2-CA 3.45Å | ||
| 425 | F | 97.7 | Very high | 95.5 | Very high | 76 Ų | 76 | 105.3 Ų | 105.3 | 33% | 0.333 | 52% | 0.518 | S | S | . | . | trans | -90.8 | -8.7 | -172.6 | -59.4 | -69.9 | 0 | 0 | 0 | 113.8 | E392 L409 K421 | E392-F425 WeakPolarHBondContact OE1-CD2 3.3Å; E392-F425 PolarHBondContact OE1-N 3.26Å; L409-F425 HydrophobicContact CD1-CD1 4.37Å; L409-F425 HydrophobicContact CD1-CE1 4.25Å; K421-F425 WeakPolarHBondContact O-CE1 3.13Å | ||
| 426 | K | 97.7 | Very high | 95.4 | Very high | 95 Ų | 95 | 103.6 Ų | 103.6 | 41% | 0.413 | 51% | 0.506 | S | S | . | . | S | Bend | trans | -138 | 152.5 | -176.3 | -62.7 | -67.3 | -177.4 | -65.9 | 0 | 110 | K388 Y430 | K388-K426 HydrophobicContact CD-CB 4.35Å; K388-K426 WeakPolarHBondContact CD-O 3.31Å; K388-K426 WeakPolarHBondContact CE-O 3.38Å; K426-Y430 HydrophobicContact CB-CD1 3.46Å; K426-Y430 VanDerWaalsContact CB-CD1 3.46Å; K426-Y430 HydrophobicContact CB-CE1 4.15Å; K426-Y430 HydrophobicContact CB-CG 3.86Å; K426-Y430 HydrophobicContact CD-CD1 3.43Å; K426-Y430 VanDerWaalsContact CD-CD1 3.43Å; K426-Y430 HydrophobicContact CD-CD2 4.15Å; K426-Y430 HydrophobicContact CD-CE1 3.26Å; K426-Y430 HydrophobicContact CD-CE2 4.14Å; K426-Y430 HydrophobicContact CD-CG 3.86Å; K426-Y430 HydrophobicContact CG-CD1 3.27Å; K426-Y430 HydrophobicContact CG-CE1 3.42Å; K426-Y430 VanDerWaalsContact CG-CE1 3.42Å; K426-Y430 HydrophobicContact CG-CG 4.01Å |
| 427 | N | 94.1 | Very high | 95.2 | Very high | 106 Ų | 106 | 97.4 Ų | 97.4 | 57% | 0.567 | 49% | 0.488 | S | S | * | . | trans | -76.9 | 170.7 | 176.5 | 67.5 | 38.6 | 0 | 0 | 0 | 111.6 | K388 N429 Y430 | K388-N427 VanDerWaalsContact CE-C 3.49Å; K388-N427 WeakPolarHBondContact CE-O 3.43Å; K388-N427 PolarHBondContact NZ-O 3.22Å; N427-N429 VanDerWaalsContact C-N 3.26Å; N427-N429 PolarHBondContact O-N 3.18Å; N427-N429 PolarHBondContact OD1-N 2.86Å; N427-N429 VanDerWaalsContact OD1-N 3.1Å; N427-Y430 WeakPolarHBondContact O-CB 3.46Å; N427-Y430 PolarHBondContact O-N 3.1Å; N427-Y430 PolarHBondContact OD1-N 2.84Å | ||
| 428 | E | 92.3 | Very high | 95 | Very high | 137 Ų | 137 | 97.3 Ų | 97.3 | 64% | 0.64 | 49% | 0.486 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.5 | -24.2 | -176.8 | -63.9 | -57 | 158.8 | 0 | 0 | 114.5 | K388 Y430 | K388-E428 WeakPolarHBondContact CE-OE2 3.4Å; K388-E428 IonicContact NZ-OE2 3.65Å; K388-E428 PolarHBondContact NZ-OE2 3.43Å; E428-Y430 VanDerWaalsContact C-N 3.31Å |
| 429 | N | 93.8 | Very high | 94.9 | Very high | 147 Ų | 147 | 99.3 Ų | 99.3 | 79% | 0.786 | 47% | 0.47 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -88.8 | -0.7 | -179 | -63.2 | -29.1 | 0 | 0 | 0 | 113.2 | N427 R431 | N427-N429 VanDerWaalsContact C-N 3.26Å; N427-N429 PolarHBondContact O-N 3.18Å; N427-N429 PolarHBondContact OD1-N 2.86Å; N427-N429 VanDerWaalsContact OD1-N 3.1Å; N429-R431 PolarHBondContact O-N 2.87Å |
| 430 | Y | 97 | Very high | 94.8 | Very high | 108 Ų | 108 | 103.5 Ų | 103.5 | 42% | 0.424 | 49% | 0.485 | S | S | . | . | trans | -71.7 | 126.9 | -177.4 | -169.1 | -120.1 | 0 | 0 | 0 | 110.2 | K426 N427 E428 Y432 | K426-Y430 HydrophobicContact CB-CD1 3.46Å; K426-Y430 VanDerWaalsContact CB-CD1 3.46Å; K426-Y430 HydrophobicContact CB-CE1 4.15Å; K426-Y430 HydrophobicContact CB-CG 3.86Å; K426-Y430 HydrophobicContact CD-CD1 3.43Å; K426-Y430 VanDerWaalsContact CD-CD1 3.43Å; K426-Y430 HydrophobicContact CD-CD2 4.15Å; K426-Y430 HydrophobicContact CD-CE1 3.26Å; K426-Y430 HydrophobicContact CD-CE2 4.14Å; K426-Y430 HydrophobicContact CD-CG 3.86Å; K426-Y430 HydrophobicContact CG-CD1 3.27Å; K426-Y430 HydrophobicContact CG-CE1 3.42Å; K426-Y430 VanDerWaalsContact CG-CE1 3.42Å; K426-Y430 HydrophobicContact CG-CG 4.01Å; N427-Y430 WeakPolarHBondContact O-CB 3.46Å; N427-Y430 PolarHBondContact O-N 3.1Å; N427-Y430 PolarHBondContact OD1-N 2.84Å; E428-Y430 VanDerWaalsContact C-N 3.31Å; Y430-Y432 WeakPolarHBondContact CD1-OXT 3.49Å; Y430-Y432 WeakPolarHBondContact CE1-O 3.4Å; Y430-Y432 WeakPolarHBondContact CE1-OXT 3.15Å; Y430-Y432 PolarHBondContact O-N 3.14Å; Y430-Y432 VanDerWaalsContact O-N 3.11Å; Y430-Y432 PolarHBondContact OH-O 2.97Å | ||
| 431 | R | 94.9 | Very high | 94.7 | Very high | 224 Ų | 224 | 104 Ų | 104 | 85% | 0.845 | 48% | 0.482 | S | S | * | . | trans | -88.8 | 60.7 | 178.6 | -60.9 | -173.7 | -179.8 | 87.7 | -0.7 | 110 | N429 | N429-R431 PolarHBondContact O-N 2.87Š| ||
| 432 | Y | 83.1 | Confident | 94.5 | Very high | 96 Ų | 96 | 105.2 Ų | 105.2 | 38% | 0.376 | 49% | 0.49 | S | S | . | . | trans | 87.4 | 0 | 175.4 | -60.6 | -99.1 | 0 | 0 | 0 | 118.4 | V184 S187 K188 Y430 | V184-Y432 HydrophobicContact CB-CD1 3.62Å; V184-Y432 HydrophobicContact CB-CE1 3.22Å; V184-Y432 HydrophobicContact CG1-CD1 3.01Å; V184-Y432 HydrophobicContact CG1-CE1 3.15Å; V184-Y432 HydrophobicContact CG1-CG 4.12Å; V184-Y432 HydrophobicContact CG2-CD1 3.68Å; V184-Y432 HydrophobicContact CG2-CE1 3.37Å; V184-Y432 HydrophobicContact CG2-CE2 4.33Å; V184-Y432 HydrophobicContact CG2-CG 4.3Å; V184-Y432 VanDerWaalsContact O-CE1 3.25Å; V184-Y432 WeakPolarHBondContact O-CE1 3.42Å; S187-Y432 PolarHBondContact OG-OH 2.74Å; K188-Y432 HydrophobicContact CB-CD1 3.58Å; K188-Y432 HydrophobicContact CB-CE1 3.34Å; K188-Y432 HydrophobicContact CB-CG 4.24Å; K188-Y432 HydrophobicContact CD-CD2 4.08Å; K188-Y432 HydrophobicContact CD-CE1 4.27Å; K188-Y432 HydrophobicContact CD-CE2 3.92Å; K188-Y432 VanDerWaalsContact CE-CD2 3.44Å; K188-Y432 HydrophobicContact CG-CD1 3.27Å; K188-Y432 HydrophobicContact CG-CD2 3.46Å; K188-Y432 VanDerWaalsContact CG-CD2 3.46Å; K188-Y432 HydrophobicContact CG-CE1 2.92Å; K188-Y432 HydrophobicContact CG-CE2 3.31Å; K188-Y432 HydrophobicContact CG-CG 3.55Å; Y430-Y432 WeakPolarHBondContact CD1-OXT 3.49Å; Y430-Y432 WeakPolarHBondContact CE1-O 3.4Å; Y430-Y432 WeakPolarHBondContact CE1-OXT 3.15Å; Y430-Y432 PolarHBondContact O-N 3.14Å; Y430-Y432 VanDerWaalsContact O-N 3.11Å; Y430-Y432 PolarHBondContact OH-O 2.97Å |
Retrieved 432 of 432 residues in 424.2 ms
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