| 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 | 45.5 | Very low | 70.7 | Confident | 110 Ų | 110 | 101.1 Ų | 101.1 | 54% | 0.542 | 50% | 0.501 | S | S | . | . | 0 | 130.5 | 0 | -71.1 | 167.6 | 105.2 | 0 | 0 | 108.2 | F6 E58 I60 | M1-F6 HydrophobicContact CE-CB 3.76Å; M1-F6 HydrophobicContact CE-CD2 4.49Å; M1-F6 HydrophobicContact CE-CG 4.4Å; M1-E58 WeakPolarHBondContact CA-OE2 3.21Å; M1-I60 HydrophobicContact CE-CD1 4.26Å; M1-I60 HydrophobicContact CG-CD1 4.27Å | |||
| 2 | G | 41.2 | Very low | 72.6 | Confident | 35 Ų | 35 | 96 Ų | 96 | 36% | 0.361 | 48% | 0.48 | S | S | . | . | trans | -61 | 169.1 | 174.7 | 0 | 0 | 0 | 0 | 0 | 111.7 | G4 E58 | G2-G4 PolarHBondContact O-N 2.9Å; G2-E58 VanDerWaalsContact CA-OE1 3.22Å; G2-E58 WeakPolarHBondContact CA-OE1 3.49Å; G2-E58 PolarHBondContact N-OE1 3.13Å; G2-E58 VanDerWaalsContact N-OE1 3.12Å; G2-E58 PolarHBondContact N-OE2 3.06Å | ||
| 3 | K | 45.3 | Very low | 74.2 | Confident | 231 Ų | 231 | 94.1 Ų | 94.1 | 100% | 1.004 | 48% | 0.481 | S | S | * | . | S | Bend | trans | -63 | 7.8 | -170.9 | -72.7 | -179.2 | 174.7 | 179 | 0 | 115.8 | ||
| 4 | G | 55.9 | Low | 75.6 | Confident | 56 Ų | 56 | 92.5 Ų | 92.5 | 58% | 0.577 | 47% | 0.474 | S | S | * | . | S | Bend | trans | -99.4 | 139.7 | 174.2 | 0 | 0 | 0 | 0 | 0 | 112 | G2 F6 | G2-G4 PolarHBondContact O-N 2.9Å; G4-F6 PolarHBondContact O-N 3.11Å |
| 5 | R | 70.5 | Confident | 77 | Confident | 166 Ų | 166 | 89.3 Ų | 89.3 | 63% | 0.626 | 46% | 0.462 | S | S | * | . | P | Polyproline II helix | trans | -69.6 | 126.2 | 171.9 | -168.9 | 179.3 | -164.6 | 166.1 | 6.3 | 108.2 | D7 N172 H177 | R5-D7 PolarHBondContact O-N 2.9Å; R5-N172 PolarHBondContact NH2-O 2.97Å; R5-H177 PolarHBondContact NH2-CE1 3.12Å |
| 6 | F | 82.9 | Confident | 78.3 | Confident | 17 Ų | 17 | 87.4 Ų | 87.4 | 8% | 0.075 | 45% | 0.452 | C | S | . | . | P | Polyproline II helix | trans | -58.2 | 131.3 | 175 | 176.6 | -79.7 | 0 | 0 | 0 | 110.5 | M1 G4 N11 C56 I62 G174 M178 | M1-F6 HydrophobicContact CE-CB 3.76Å; M1-F6 HydrophobicContact CE-CD2 4.49Å; M1-F6 HydrophobicContact CE-CG 4.4Å; G4-F6 PolarHBondContact O-N 3.11Å; F6-N11 VanDerWaalsContact CA-OD1 3.3Å; F6-N11 WeakPolarHBondContact CA-OD1 3.37Å; F6-N11 HydrophobicContact CD2-CB 4.01Å; F6-N11 HydrophobicContact CE2-CB 4Å; F6-C56 HydrophobicContact CE2-CB 3.87Å; F6-I62 HydrophobicContact CZ-CD1 4.26Å; F6-G174 VanDerWaalsContact CD1-C 3.49Å; F6-G174 WeakPolarHBondContact O-CA 3.35Å; F6-M178 HydrophobicContact CE1-CB 4.16Å; F6-M178 HydrophobicContact CE1-CG 4.49Å; F6-M178 HydrophobicContact CE1-SD 3.78Å; F6-M178 HydrophobicContact CZ-SD 3.82Å |
| 7 | D | 86.3 | Confident | 79.4 | Confident | 66 Ų | 66 | 89.9 Ų | 89.9 | 35% | 0.353 | 46% | 0.462 | S | S | . | . | trans | -129.9 | 128.2 | 172.6 | -173.7 | -72.5 | 0 | 0 | 0 | 109.2 | R5 K9 E10 N11 | R5-D7 PolarHBondContact O-N 2.9Å; D7-K9 PolarHBondContact O-N 3.32Å; D7-K9 WeakPolarHBondContact OD1-CB 3.43Å; D7-K9 PolarHBondContact OD1-N 3.21Å; D7-E10 HydrophobicContact CB-CB 4.34Å; D7-E10 HydrophobicContact CB-CG 4.42Å; D7-E10 PolarHBondContact O-N 2.91Å; D7-N11 PolarHBondContact N-OD1 3.18Å; D7-N11 VanDerWaalsContact O-CB 3.24Å; D7-N11 WeakPolarHBondContact O-CB 3.36Å; D7-N11 PolarHBondContact O-N 3.02Å; D7-N11 PolarHBondContact O-OD1 3.15Å | ||
| 8 | E | 85.9 | Confident | 80.4 | Confident | 85 Ų | 85 | 86.4 Ų | 86.4 | 40% | 0.397 | 44% | 0.444 | S | S | . | . | H | α-helix | trans | -61.3 | -32 | -174.9 | 68 | 179.9 | -176.4 | 0 | 0 | 113.2 | V12 M178 | E8-V12 WeakPolarHBondContact O-CB 3.45Å; E8-V12 VanDerWaalsContact O-CG2 3.24Å; E8-V12 WeakPolarHBondContact O-CG2 3.39Å; E8-V12 PolarHBondContact O-N 3.38Å; E8-M178 HydrophobicContact CB-CB 4.35Å; E8-M178 HydrophobicContact CB-CG 3.98Å; E8-M178 HydrophobicContact CB-SD 4.42Å |
| 9 | K | 83.8 | Confident | 81.3 | Confident | 178 Ų | 178 | 90.4 Ų | 90.4 | 77% | 0.774 | 46% | 0.457 | S | S | * | . | H | α-helix | trans | -77.9 | -29.4 | -176.7 | -60.9 | 178.8 | -179.3 | 173.7 | 0 | 111.8 | D7 | D7-K9 PolarHBondContact O-N 3.32Å; D7-K9 WeakPolarHBondContact OD1-CB 3.43Å; D7-K9 PolarHBondContact OD1-N 3.21Å |
| 10 | E | 87.9 | Confident | 82.1 | Confident | 139 Ų | 139 | 91.9 Ų | 91.9 | 65% | 0.65 | 47% | 0.472 | S | S | * | . | H | α-helix | trans | -98.5 | -24.5 | -176.3 | -60.9 | -173.8 | 175.4 | 0 | 0 | 112.9 | D7 H57 | D7-E10 HydrophobicContact CB-CB 4.34Å; D7-E10 HydrophobicContact CB-CG 4.42Å; D7-E10 PolarHBondContact O-N 2.91Å; E10-H57 PolarHBondContact O-CE1 3.37Å; E10-H57 PolarHBondContact O-ND1 3.29Å |
| 11 | N | 92.3 | Very high | 82.8 | Confident | 29 Ų | 29 | 91.8 Ų | 91.8 | 16% | 0.155 | 48% | 0.479 | C | S | . | . | H | α-helix | trans | -114.1 | -11 | -168 | -54.9 | 147.6 | 0 | 0 | 0 | 114.7 | F6 D7 C56 H57 | F6-N11 VanDerWaalsContact CA-OD1 3.3Å; F6-N11 WeakPolarHBondContact CA-OD1 3.37Å; F6-N11 HydrophobicContact CD2-CB 4.01Å; F6-N11 HydrophobicContact CE2-CB 4Å; D7-N11 PolarHBondContact N-OD1 3.18Å; D7-N11 VanDerWaalsContact O-CB 3.24Å; D7-N11 WeakPolarHBondContact O-CB 3.36Å; D7-N11 PolarHBondContact O-N 3.02Å; D7-N11 PolarHBondContact O-OD1 3.15Å; N11-C56 CarbonylContact O-C 3.57Å; N11-C56 WeakPolarHBondContact O-CA 3.31Å; N11-C56 VanDerWaalsContact O-CB 3.3Å; N11-C56 WeakPolarHBondContact O-CB 3.11Å; N11-H57 HydrophobicContact CB-CB 4.35Å; N11-H57 PolarHBondContact ND2-ND1 3.03Å; N11-H57 PolarHBondContact O-N 3.37Å |
| 12 | V | 93.4 | Very high | 85.3 | Confident | 40 Ų | 40 | 89.9 Ų | 89.9 | 24% | 0.242 | 47% | 0.473 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.7 | 122.6 | 172.2 | 174.9 | 0 | 0 | 0 | 0 | 109.7 | E8 V54 M178 Y181 | E8-V12 WeakPolarHBondContact O-CB 3.45Å; E8-V12 VanDerWaalsContact O-CG2 3.24Å; E8-V12 WeakPolarHBondContact O-CG2 3.39Å; E8-V12 PolarHBondContact O-N 3.38Å; V12-V54 HydrophobicContact CB-CG1 4.44Å; V12-V54 HydrophobicContact CG1-CG1 3.58Å; V12-V54 HydrophobicContact CG2-CG1 4.03Å; V12-M178 HydrophobicContact CG2-CE 4.15Å; V12-Y181 HydrophobicContact CG1-CE2 4.2Å |
| 13 | S | 93.2 | Very high | 88 | Confident | 71 Ų | 71 | 89.6 Ų | 89.6 | 50% | 0.497 | 46% | 0.463 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.7 | -48.2 | -178.4 | -50.8 | 0 | 0 | 0 | 0 | 112.4 | R55 H57 | S13-R55 PolarHBondContact N-O 2.91Å; S13-H57 PolarHBondContact OG-CD2 3.4Å |
| 14 | N | 94.7 | Very high | 90.5 | Very high | 72 Ų | 72 | 85.4 Ų | 85.4 | 39% | 0.385 | 45% | 0.445 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -159.1 | 178 | 176.3 | 74.9 | 17.2 | 0 | 0 | 0 | 112 | R55 | N14-R55 PolarHBondContact N-O 2.86Å; N14-R55 PolarHBondContact O-N 3.04Å; N14-R55 VanDerWaalsContact OD1-CB 3.26Å; N14-R55 WeakPolarHBondContact OD1-CB 3.34Å; N14-R55 VanDerWaalsContact OD1-CD 3.29Å; N14-R55 WeakPolarHBondContact OD1-CD 3.44Å; N14-R55 VanDerWaalsContact OD1-CG 3.27Å; N14-R55 WeakPolarHBondContact OD1-CG 3.23Å |
| 15 | C | 96.1 | Very high | 92.5 | Very high | 44 Ų | 44 | 84.6 Ų | 84.6 | 30% | 0.297 | 44% | 0.437 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.4 | 139 | 172.7 | 175.1 | 0 | 0 | 0 | 0 | 110.9 | I53 Y181 | C15-I53 CarbonylContact C-O 3.47Å; C15-I53 WeakPolarHBondContact CA-O 3.27Å; C15-Y181 HydrophobicContact CB-CE1 3.67Å; C15-Y181 WeakPolarHBondContact CB-OH 3.35Å; C15-Y181 WeakPolarHBondContact SG-CE1 3.46Å |
| 16 | I | 97 | Very high | 93.8 | Very high | 59 Ų | 59 | 77.4 Ų | 77.4 | 30% | 0.303 | 41% | 0.411 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.1 | 125.1 | -175.2 | -56.6 | 173.1 | 0 | 0 | 0 | 109 | K52 I53 | I16-K52 CarbonylContact O-C 3.58Å; I16-K52 WeakPolarHBondContact O-CA 3.36Å; I16-I53 PolarHBondContact N-O 2.92Å; I16-I53 PolarHBondContact O-N 3.34Å |
| 17 | Q | 97.9 | Very high | 94.5 | Very high | 131 Ų | 131 | 78.1 Ų | 78.1 | 61% | 0.612 | 41% | 0.414 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -76.4 | 129.7 | 167.8 | -176.7 | 171.9 | -40.7 | 0 | 0 | 109.9 | P50 K52 | Q17-P50 HydrophobicContact CG-CB 4.12Å; Q17-K52 HydrophobicContact CB-CG 4.45Å |
| 18 | L | 97.8 | Very high | 95.1 | Very high | 26 Ų | 26 | 78.7 Ų | 78.7 | 14% | 0.136 | 42% | 0.417 | C | S | . | . | P | Polyproline II helix | trans | -83.2 | 146.6 | -174.7 | -59.3 | -172 | 0 | 0 | 0 | 112.4 | V22 I23 I26 V51 I53 L63 | L18-V22 HydrophobicContact CD1-CG1 4.25Å; L18-V22 HydrophobicContact CD2-CG1 4.27Å; L18-I23 HydrophobicContact CB-CD1 4.13Å; L18-I23 HydrophobicContact CB-CG1 3.65Å; L18-I23 HydrophobicContact CD1-CG1 4.24Å; L18-I26 HydrophobicContact CD1-CD1 3.51Å; L18-V51 HydrophobicContact CD1-CG1 3.88Å; L18-V51 HydrophobicContact CG-CG1 4.47Å; L18-V51 PolarHBondContact N-O 2.72Å; L18-I53 HydrophobicContact CD1-CG1 3.96Å; L18-I53 HydrophobicContact CD2-CB 4.31Å; L18-I53 HydrophobicContact CD2-CG1 3.8Å; L18-I53 HydrophobicContact CG-CG1 4.17Å; L18-L63 HydrophobicContact CD1-CD1 4.13Å |
| 19 | K | 97.8 | Very high | 95.6 | Very high | 162 Ų | 162 | 77.4 Ų | 77.4 | 70% | 0.704 | 41% | 0.411 | S | S | * | . | P | Polyproline II helix | trans | -77.4 | 152.9 | 169.8 | -62.4 | -178.8 | -178 | 178.1 | 0 | 110.4 | S21 V22 I23 | K19-S21 VanDerWaalsContact C-N 3.28Å; K19-S21 PolarHBondContact O-N 3.01Å; K19-V22 HydrophobicContact CB-CG2 4.42Å; K19-V22 WeakPolarHBondContact O-CB 3.27Å; K19-V22 PolarHBondContact O-N 3.18Å; K19-I23 WeakPolarHBondContact O-CG1 3.41Å; K19-I23 PolarHBondContact O-N 3.36Å |
| 20 | T | 96.7 | Very high | 96.3 | Very high | 121 Ų | 121 | 69 Ų | 69 | 74% | 0.742 | 37% | 0.374 | S | S | * | . | H | α-helix | trans | -52 | -41.4 | -179.2 | -49.2 | 0 | 0 | 0 | 0 | 113.9 | I23 K24 | T20-I23 PolarHBondContact O-N 3.15Å; T20-K24 PolarHBondContact O-N 3.05Å |
| 21 | S | 97 | Very high | 96.8 | Very high | 90 Ų | 90 | 64.3 Ų | 64.3 | 63% | 0.629 | 35% | 0.353 | S | S | * | . | H | α-helix | trans | -63.7 | -40.9 | 178.3 | 52.1 | 0 | 0 | 0 | 0 | 112.6 | K19 K24 G25 | K19-S21 VanDerWaalsContact C-N 3.28Å; K19-S21 PolarHBondContact O-N 3.01Å; S21-K24 PolarHBondContact O-N 2.75Å; S21-G25 PolarHBondContact O-N 2.99Å; S21-G25 VanDerWaalsContact O-N 3.1Å |
| 22 | V | 97.4 | Very high | 97.1 | Very high | 69 Ų | 69 | 70.3 Ų | 70.3 | 42% | 0.418 | 38% | 0.38 | S | S | . | . | H | α-helix | trans | -67.6 | -42.7 | 177.8 | -178.1 | 0 | 0 | 0 | 0 | 110.5 | L18 K19 K24 G25 I26 | L18-V22 HydrophobicContact CD1-CG1 4.25Å; L18-V22 HydrophobicContact CD2-CG1 4.27Å; K19-V22 HydrophobicContact CB-CG2 4.42Å; K19-V22 WeakPolarHBondContact O-CB 3.27Å; K19-V22 PolarHBondContact O-N 3.18Å; V22-K24 VanDerWaalsContact C-N 3.29Å; V22-K24 PolarHBondContact O-N 2.85Å; V22-G25 PolarHBondContact O-N 3.11Å; V22-G25 VanDerWaalsContact O-N 3.15Å; V22-I26 HydrophobicContact CG1-CD1 4.12Å; V22-I26 PolarHBondContact O-N 2.9Å |
| 23 | I | 98.1 | Very high | 97.3 | Very high | 29 Ų | 29 | 71 Ų | 71 | 15% | 0.149 | 38% | 0.381 | C | S | . | . | H | α-helix | trans | -58.6 | -43.1 | 176 | -63 | 166.8 | 0 | 0 | 0 | 110.6 | L18 K19 T20 I26 K27 M45 V51 | L18-I23 HydrophobicContact CB-CD1 4.13Å; L18-I23 HydrophobicContact CB-CG1 3.65Å; L18-I23 HydrophobicContact CD1-CG1 4.24Å; K19-I23 WeakPolarHBondContact O-CG1 3.41Å; K19-I23 PolarHBondContact O-N 3.36Å; T20-I23 PolarHBondContact O-N 3.15Å; I23-I26 PolarHBondContact O-N 3.1Å; I23-K27 HydrophobicContact CG2-CD 4.35Å; I23-K27 HydrophobicContact CG2-CG 4.48Å; I23-K27 WeakPolarHBondContact O-CG 3.49Å; I23-K27 PolarHBondContact O-N 3.35Å; I23-M45 HydrophobicContact CG2-CE 4.1Å; I23-V51 HydrophobicContact CD1-CB 3.75Å; I23-V51 HydrophobicContact CD1-CG2 3.75Å; I23-V51 HydrophobicContact CG1-CB 3.89Å; I23-V51 HydrophobicContact CG1-CG1 4.33Å; I23-V51 HydrophobicContact CG1-CG2 4.06Å; I23-V51 HydrophobicContact CG2-CG2 4.1Å |
| 24 | K | 97.6 | Very high | 97.5 | Very high | 143 Ų | 143 | 68.1 Ų | 68.1 | 62% | 0.622 | 36% | 0.359 | S | S | * | . | H | α-helix | trans | -61.2 | -44.5 | 176.4 | -175 | 178.8 | 179 | -176.6 | 0 | 111.5 | T20 S21 V22 K27 N28 | T20-K24 PolarHBondContact O-N 3.05Å; S21-K24 PolarHBondContact O-N 2.75Å; V22-K24 VanDerWaalsContact C-N 3.29Å; V22-K24 PolarHBondContact O-N 2.85Å; K24-K27 PolarHBondContact O-N 2.94Å; K24-N28 PolarHBondContact O-N 3.15Å; K24-N28 PolarHBondContact O-OD1 3.3Å |
| 25 | G | 97.9 | Very high | 97.7 | Very high | 39 Ų | 39 | 69 Ų | 69 | 40% | 0.402 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -58.8 | -48 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | S21 V22 K27 N28 Q29 | S21-G25 PolarHBondContact O-N 2.99Å; S21-G25 VanDerWaalsContact O-N 3.1Å; V22-G25 PolarHBondContact O-N 3.11Å; V22-G25 VanDerWaalsContact O-N 3.15Å; G25-K27 PolarHBondContact O-N 3.48Å; G25-N28 PolarHBondContact O-N 3.01Å; G25-Q29 PolarHBondContact O-N 2.87Å |
| 26 | I | 97.8 | Very high | 97.7 | Very high | 16 Ų | 16 | 68.7 Ų | 68.7 | 8% | 0.082 | 37% | 0.373 | C | S | . | . | H | α-helix | trans | -62.2 | -43.6 | 177.5 | -68.6 | 171.9 | 0 | 0 | 0 | 111.2 | L18 V22 I23 N28 Q29 L30 L63 F79 | L18-I26 HydrophobicContact CD1-CD1 3.51Å; V22-I26 HydrophobicContact CG1-CD1 4.12Å; V22-I26 PolarHBondContact O-N 2.9Å; I23-I26 PolarHBondContact O-N 3.1Å; I26-N28 VanDerWaalsContact C-N 3.32Å; I26-N28 PolarHBondContact O-N 2.81Å; I26-Q29 PolarHBondContact O-N 2.84Å; I26-L30 HydrophobicContact CG2-CD1 3.98Å; I26-L30 HydrophobicContact CG2-CG 4.22Å; I26-L30 VanDerWaalsContact O-CG 3.32Å; I26-L30 WeakPolarHBondContact O-CG 3.45Å; I26-L30 PolarHBondContact O-N 3.38Å; I26-L63 HydrophobicContact CD1-CD1 4.33Å; I26-L63 HydrophobicContact CG2-CD2 3.93Å; I26-F79 HydrophobicContact CD1-CZ 4.46Å; I26-F79 HydrophobicContact CG1-CE2 4.37Å; I26-F79 HydrophobicContact CG1-CZ 4.39Å; I26-F79 HydrophobicContact CG2-CE2 3.99Å; I26-F79 HydrophobicContact CG2-CZ 4.14Å |
| 27 | K | 98.1 | Very high | 97.7 | Very high | 32 Ų | 32 | 65.9 Ų | 65.9 | 14% | 0.139 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -60 | -43.2 | 177.7 | -76.5 | -172.7 | 177.4 | -165.4 | 0 | 111.7 | I23 K24 G25 L30 I31 L41 M45 | I23-K27 HydrophobicContact CG2-CD 4.35Å; I23-K27 HydrophobicContact CG2-CG 4.48Å; I23-K27 WeakPolarHBondContact O-CG 3.49Å; I23-K27 PolarHBondContact O-N 3.35Å; K24-K27 PolarHBondContact O-N 2.94Å; G25-K27 PolarHBondContact O-N 3.48Å; K27-L30 PolarHBondContact O-N 3.42Å; K27-I31 VanDerWaalsContact O-CG1 3.27Å; K27-I31 WeakPolarHBondContact O-CG1 3.28Å; K27-I31 PolarHBondContact O-N 3.24Å; K27-L41 HydrophobicContact CB-CD1 4.15Å; K27-L41 HydrophobicContact CG-CD1 4.26Å; K27-M45 HydrophobicContact CG-CE 4.22Å; K27-M45 HydrophobicContact CG-SD 4.15Å; K27-M45 PolarHBondContact NZ-O 3.21Å |
| 28 | N | 98.2 | Very high | 97.7 | Very high | 78 Ų | 78 | 65.2 Ų | 65.2 | 42% | 0.417 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -61.2 | -46.6 | 175.8 | -68.8 | -0.5 | 0 | 0 | 0 | 111.3 | K24 G25 I26 L30 I31 E32 | K24-N28 PolarHBondContact O-N 3.15Å; K24-N28 PolarHBondContact O-OD1 3.3Å; G25-N28 PolarHBondContact O-N 3.01Å; I26-N28 VanDerWaalsContact C-N 3.32Å; I26-N28 PolarHBondContact O-N 2.81Å; N28-L30 VanDerWaalsContact C-N 3.31Å; N28-L30 PolarHBondContact O-N 3.29Å; N28-I31 PolarHBondContact O-N 2.93Å; N28-I31 VanDerWaalsContact O-N 3.15Å; N28-E32 WeakPolarHBondContact O-CG 3.49Å; N28-E32 PolarHBondContact O-N 3.47Å |
| 29 | Q | 97.8 | Very high | 97.7 | Very high | 58 Ų | 58 | 68.9 Ų | 68.9 | 27% | 0.271 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -58.9 | -42 | 176.3 | -175.3 | -176.5 | -7.6 | 0 | 0 | 111.9 | G25 I26 I31 E32 Q33 F79 | G25-Q29 PolarHBondContact O-N 2.87Å; I26-Q29 PolarHBondContact O-N 2.84Å; Q29-I31 VanDerWaalsContact C-N 3.34Å; Q29-I31 PolarHBondContact O-N 3.36Å; Q29-E32 PolarHBondContact O-N 3.4Å; Q29-Q33 HydrophobicContact CG-CG 4.49Å; Q29-Q33 WeakPolarHBondContact O-CB 3.32Å; Q29-Q33 WeakPolarHBondContact O-CG 3.35Å; Q29-Q33 PolarHBondContact O-N 3.01Å; Q29-F79 HydrophobicContact CG-CD2 4.49Å |
| 30 | L | 98.4 | Very high | 97.7 | Very high | 0 Ų | 0 | 65.8 Ų | 65.8 | 0% | 0 | 37% | 0.365 | C | S | . | . | H | α-helix | trans | -66 | -34.9 | 177.3 | -69.4 | 175.4 | 0 | 0 | 0 | 112.5 | I26 K27 N28 F34 I37 L41 M45 L63 F71 F79 | I26-L30 HydrophobicContact CG2-CD1 3.98Å; I26-L30 HydrophobicContact CG2-CG 4.22Å; I26-L30 VanDerWaalsContact O-CG 3.32Å; I26-L30 WeakPolarHBondContact O-CG 3.45Å; I26-L30 PolarHBondContact O-N 3.38Å; K27-L30 PolarHBondContact O-N 3.42Å; N28-L30 VanDerWaalsContact C-N 3.31Å; N28-L30 PolarHBondContact O-N 3.29Å; L30-F34 HydrophobicContact CD2-CD2 4.21Å; L30-F34 HydrophobicContact CD2-CE2 4.2Å; L30-F34 CarbonylContact O-C 3.47Å; L30-F34 WeakPolarHBondContact O-CA 3.49Å; L30-F34 WeakPolarHBondContact O-CB 3.14Å; L30-F34 PolarHBondContact O-N 3.05Å; L30-I37 HydrophobicContact CB-CG2 4.48Å; L30-L41 HydrophobicContact CD1-CD2 4.31Å; L30-M45 HydrophobicContact CD1-SD 4.31Å; L30-L63 HydrophobicContact CD1-CD2 4.22Å; L30-F71 HydrophobicContact CD1-CD2 3.91Å; L30-F71 HydrophobicContact CD1-CE2 3.78Å; L30-F71 HydrophobicContact CD1-CZ 4.34Å; L30-F71 HydrophobicContact CD2-CD1 3.74Å; L30-F71 HydrophobicContact CD2-CD2 3.97Å; L30-F71 HydrophobicContact CD2-CE1 3.8Å; L30-F71 HydrophobicContact CD2-CE2 4.03Å; L30-F71 HydrophobicContact CD2-CG 3.85Å; L30-F71 HydrophobicContact CD2-CZ 3.95Å; L30-F79 HydrophobicContact CD2-CB 3.75Å; L30-F79 HydrophobicContact CD2-CD2 3.99Å; L30-F79 HydrophobicContact CD2-CG 3.95Å |
| 31 | I | 98.4 | Very high | 97.7 | Very high | 41 Ų | 41 | 60.4 Ų | 60.4 | 21% | 0.21 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -68.5 | -42.9 | 174.9 | -65.9 | 163.7 | 0 | 0 | 0 | 110.2 | K27 N28 Q29 F34 P35 E38 L41 | K27-I31 VanDerWaalsContact O-CG1 3.27Å; K27-I31 WeakPolarHBondContact O-CG1 3.28Å; K27-I31 PolarHBondContact O-N 3.24Å; N28-I31 PolarHBondContact O-N 2.93Å; N28-I31 VanDerWaalsContact O-N 3.15Å; Q29-I31 VanDerWaalsContact C-N 3.34Å; Q29-I31 PolarHBondContact O-N 3.36Å; I31-F34 CarbonylContact O-C 3.57Å; I31-P35 WeakPolarHBondContact O-CA 3.48Å; I31-P35 WeakPolarHBondContact O-CD 3.22Å; I31-P35 VanDerWaalsContact O-N 3.13Å; I31-E38 HydrophobicContact CD1-CB 4.39Å; I31-E38 HydrophobicContact CD1-CG 3.99Å; I31-E38 HydrophobicContact CG1-CB 4.03Å; I31-E38 HydrophobicContact CG1-CG 4.19Å; I31-E38 HydrophobicContact CG2-CB 4.32Å; I31-L41 HydrophobicContact CD1-CD1 3.75Å; I31-L41 HydrophobicContact CG1-CD1 3.61Å |
| 32 | E | 98.1 | Very high | 97.6 | Very high | 156 Ų | 156 | 60.9 Ų | 60.9 | 73% | 0.729 | 33% | 0.327 | S | S | * | . | H | α-helix | trans | -62.3 | -43.8 | 176.3 | -72.3 | 171.4 | -170.3 | 0 | 0 | 111.7 | N28 Q29 | N28-E32 WeakPolarHBondContact O-CG 3.49Å; N28-E32 PolarHBondContact O-N 3.47Å; Q29-E32 PolarHBondContact O-N 3.4Å |
| 33 | Q | 97.7 | Very high | 97.6 | Very high | 55 Ų | 55 | 63.2 Ų | 63.2 | 26% | 0.257 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -73.6 | -38.7 | 178.9 | -71 | -169.3 | -104.1 | 0 | 0 | 113 | Q29 F79 | Q29-Q33 HydrophobicContact CG-CG 4.49Å; Q29-Q33 WeakPolarHBondContact O-CB 3.32Å; Q29-Q33 WeakPolarHBondContact O-CG 3.35Å; Q29-Q33 PolarHBondContact O-N 3.01Å; Q33-F79 PolarHBondContact NE2-O 2.95Å; Q33-F79 VanDerWaalsContact OE1-N 3.16Å |
| 34 | F | 98.1 | Very high | 97.6 | Very high | 9 Ų | 9 | 62.6 Ų | 62.6 | 4% | 0.039 | 33% | 0.33 | C | S | . | . | trans | -135.6 | 73.8 | -172.3 | -47.2 | -63.6 | 0 | 0 | 0 | 111 | L30 I31 G36 I37 F71 F79 I92 L93 I132 | L30-F34 HydrophobicContact CD2-CD2 4.21Å; L30-F34 HydrophobicContact CD2-CE2 4.2Å; L30-F34 CarbonylContact O-C 3.47Å; L30-F34 WeakPolarHBondContact O-CA 3.49Å; L30-F34 WeakPolarHBondContact O-CB 3.14Å; L30-F34 PolarHBondContact O-N 3.05Å; I31-F34 CarbonylContact O-C 3.57Å; F34-G36 PolarHBondContact O-N 2.92Å; F34-I37 HydrophobicContact CB-CB 4.41Å; F34-I37 HydrophobicContact CB-CG2 4.27Å; F34-I37 WeakPolarHBondContact O-CB 3.4Å; F34-I37 WeakPolarHBondContact O-CG2 3.32Å; F34-I37 PolarHBondContact O-N 3.48Å; F34-F71 AromaticContact CD2-CE1 3.79Å; F34-F71 HydrophobicContact CD2-CE1 3.79Å; F34-F71 HydrophobicContact CD2-CZ 4.44Å; F34-F71 HydrophobicContact CE2-CD1 4.07Å; F34-F71 AromaticContact CE2-CE1 3.68Å; F34-F71 HydrophobicContact CE2-CE1 3.68Å; F34-F79 HydrophobicContact CE2-CB 4.49Å; F34-F79 VanDerWaalsContact CZ-O 3.27Å; F34-F79 WeakPolarHBondContact CZ-O 3.46Å; F34-I92 HydrophobicContact CB-CG2 3.98Å; F34-I92 HydrophobicContact CD1-CG2 3.81Å; F34-I92 HydrophobicContact CD2-CG2 4.35Å; F34-I92 HydrophobicContact CE1-CG2 4.42Å; F34-I92 HydrophobicContact CG-CG2 3.78Å; F34-L93 HydrophobicContact CD1-CD2 3.77Å; F34-L93 HydrophobicContact CE1-CD2 3.4Å; F34-L93 HydrophobicContact CZ-CD2 4.34Å; F34-I132 HydrophobicContact CE1-CD1 4.11Å; F34-I132 HydrophobicContact CZ-CD1 3.91Å | ||
| 35 | P | 97.6 | Very high | 97.5 | Very high | 90 Ų | 90 | 55.8 Ų | 55.8 | 58% | 0.584 | 30% | 0.301 | S | S | * | . | G | 310 helix | trans | -53.1 | -34.2 | -171.9 | -29.3 | 35.5 | 0 | 0 | 0 | 114.6 | I31 I37 E38 | I31-P35 WeakPolarHBondContact O-CA 3.48Å; I31-P35 WeakPolarHBondContact O-CD 3.22Å; I31-P35 VanDerWaalsContact O-N 3.13Å; P35-I37 PolarHBondContact O-N 3.35Å; P35-I37 VanDerWaalsContact O-N 3.11Å; P35-E38 PolarHBondContact O-N 3.09Å |
| 36 | G | 96.3 | Very high | 97.4 | Very high | 38 Ų | 38 | 55.6 Ų | 55.6 | 39% | 0.392 | 29% | 0.293 | S | S | . | . | G | 310 helix | trans | -62.8 | -15.6 | 177.8 | 0 | 0 | 0 | 0 | 0 | 115.3 | F34 F91 | F34-G36 PolarHBondContact O-N 2.92Å; G36-F91 VanDerWaalsContact O-CE2 3.28Å; G36-F91 WeakPolarHBondContact O-CE2 3.39Å |
| 37 | I | 97.4 | Very high | 97.2 | Very high | 0 Ų | 0 | 63.6 Ų | 63.6 | 0% | 0 | 33% | 0.327 | C | S | . | . | G | 310 helix | trans | -80 | -19 | -179 | -156.1 | 54 | 0 | 0 | 0 | 113.4 | L30 F34 P35 P39 W40 L41 I44 F71 I92 | L30-I37 HydrophobicContact CB-CG2 4.48Å; F34-I37 HydrophobicContact CB-CB 4.41Å; F34-I37 HydrophobicContact CB-CG2 4.27Å; F34-I37 WeakPolarHBondContact O-CB 3.4Å; F34-I37 WeakPolarHBondContact O-CG2 3.32Å; F34-I37 PolarHBondContact O-N 3.48Å; P35-I37 PolarHBondContact O-N 3.35Å; P35-I37 VanDerWaalsContact O-N 3.11Å; I37-P39 VanDerWaalsContact C-CD 3.5Å; I37-W40 HydrophobicContact CD1-CB 4.13Å; I37-W40 WeakPolarHBondContact O-CA 3.44Å; I37-W40 WeakPolarHBondContact O-CB 3.33Å; I37-W40 PolarHBondContact O-N 2.7Å; I37-L41 HydrophobicContact CG1-CD2 4.24Å; I37-L41 HydrophobicContact CG2-CD2 4.22Å; I37-L41 HydrophobicContact CG2-CG 4.21Å; I37-L41 PolarHBondContact O-N 2.95Å; I37-I44 HydrophobicContact CD1-CD1 4.04Å; I37-I44 HydrophobicContact CG1-CD1 4.08Å; I37-F71 HydrophobicContact CG1-CZ 4.48Å; I37-I92 HydrophobicContact CD1-CD1 3.54Å; I37-I92 HydrophobicContact CD1-CG1 3.77Å; I37-I92 HydrophobicContact CG1-CD1 4.43Å |
| 38 | E | 97.8 | Very high | 97 | Very high | 118 Ų | 118 | 71.6 Ų | 71.6 | 55% | 0.551 | 36% | 0.362 | S | S | * | . | G | 310 helix | trans | -50.6 | -48.8 | -170.7 | -179 | 177.5 | -164 | 0 | 0 | 113.5 | I31 P35 W40 L41 | I31-E38 HydrophobicContact CD1-CB 4.39Å; I31-E38 HydrophobicContact CD1-CG 3.99Å; I31-E38 HydrophobicContact CG1-CB 4.03Å; I31-E38 HydrophobicContact CG1-CG 4.19Å; I31-E38 HydrophobicContact CG2-CB 4.32Å; P35-E38 PolarHBondContact O-N 3.09Å; E38-W40 PolarHBondContact O-N 3.32Å; E38-W40 VanDerWaalsContact O-N 3.11Å; E38-L41 PolarHBondContact O-N 3.39Å |
| 39 | P | 97.9 | Very high | 97 | Very high | 102 Ų | 102 | 70.3 Ų | 70.3 | 66% | 0.662 | 36% | 0.355 | S | S | * | . | G | 310 helix | trans | -64.5 | -20.3 | -179.2 | -20.8 | 34.7 | 0 | 0 | 0 | 113.7 | I37 | I37-P39 VanDerWaalsContact C-CD 3.5Š|
| 40 | W | 97.9 | Very high | 96.9 | Very high | 97 Ų | 97 | 70.2 Ų | 70.2 | 37% | 0.367 | 36% | 0.359 | S | S | . | . | G | 310 helix | trans | -101.4 | -10.6 | -171.3 | -53.1 | 95.1 | 0 | 0 | 0 | 113.1 | I37 E38 N42 Q43 I44 Y89 F91 | I37-W40 HydrophobicContact CD1-CB 4.13Å; I37-W40 WeakPolarHBondContact O-CA 3.44Å; I37-W40 WeakPolarHBondContact O-CB 3.33Å; I37-W40 PolarHBondContact O-N 2.7Å; E38-W40 PolarHBondContact O-N 3.32Å; E38-W40 VanDerWaalsContact O-N 3.11Å; W40-N42 PolarHBondContact O-N 2.91Å; W40-Q43 WeakPolarHBondContact O-CA 2.91Å; W40-Q43 WeakPolarHBondContact O-CB 3.24Å; W40-Q43 PolarHBondContact O-N 3.03Å; W40-I44 PolarHBondContact O-N 3.31Å; W40-Y89 HydrophobicContact CB-CE1 4.33Å; W40-Y89 HydrophobicContact CD2-CD1 4.13Å; W40-Y89 AromaticContact CD2-CE1 3.79Å; W40-Y89 HydrophobicContact CD2-CE1 3.79Å; W40-Y89 HydrophobicContact CE3-CD1 4.28Å; W40-Y89 AromaticContact CE3-CE1 3.52Å; W40-Y89 HydrophobicContact CE3-CE1 3.52Å; W40-Y89 HydrophobicContact CG-CD1 4.3Å; W40-Y89 HydrophobicContact CG-CE1 4.15Å; W40-Y89 HydrophobicContact CZ3-CE1 4.08Å; W40-F91 AromaticContact CD1-CE2 3.7Å; W40-F91 AromaticContact CD1-CZ 3.45Å; W40-F91 VanDerWaalsContact CD1-CZ 3.45Å; W40-F91 HydrophobicContact CD2-CZ 4.21Å; W40-F91 AromaticContact CE2-CZ 3.68Å; W40-F91 HydrophobicContact CG-CZ 4.07Å; W40-F91 HydrophobicContact CZ2-CE1 4.43Å; W40-F91 HydrophobicContact CZ2-CZ 4.33Å; W40-F91 AromaticContact NE1-CE2 3.65Å; W40-F91 AromaticContact NE1-CZ 3.18Å |
| 41 | L | 96.9 | Very high | 96.9 | Very high | 9 Ų | 9 | 70.4 Ų | 70.4 | 5% | 0.047 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -59.1 | -31.2 | -178.2 | -77.4 | 177.2 | 0 | 0 | 0 | 113.6 | K27 L30 I31 I37 E38 Q43 I44 M45 | K27-L41 HydrophobicContact CB-CD1 4.15Å; K27-L41 HydrophobicContact CG-CD1 4.26Å; L30-L41 HydrophobicContact CD1-CD2 4.31Å; I31-L41 HydrophobicContact CD1-CD1 3.75Å; I31-L41 HydrophobicContact CG1-CD1 3.61Å; I37-L41 HydrophobicContact CG1-CD2 4.24Å; I37-L41 HydrophobicContact CG2-CD2 4.22Å; I37-L41 HydrophobicContact CG2-CG 4.21Å; I37-L41 PolarHBondContact O-N 2.95Å; E38-L41 PolarHBondContact O-N 3.39Å; L41-Q43 VanDerWaalsContact C-N 3.28Å; L41-I44 HydrophobicContact CD2-CD1 4.22Å; L41-I44 HydrophobicContact CD2-CG1 4.41Å; L41-M45 HydrophobicContact CD2-SD 4.23Å; L41-M45 CarbonylContact O-C 3.59Å; L41-M45 WeakPolarHBondContact O-CA 3.31Å; L41-M45 WeakPolarHBondContact O-CB 3.11Å; L41-M45 PolarHBondContact O-N 3.18Å |
| 42 | N | 95.3 | Very high | 96.9 | Very high | 99 Ų | 99 | 71.2 Ų | 71.2 | 53% | 0.529 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -73.5 | -22.7 | 175.7 | -72.1 | -36.3 | 0 | 0 | 0 | 112.8 | W40 P46 | W40-N42 PolarHBondContact O-N 2.91Å; N42-P46 VanDerWaalsContact O-CA 3.31Å; N42-P46 WeakPolarHBondContact O-CA 3.18Å |
| 43 | Q | 96.7 | Very high | 96.9 | Very high | 118 Ų | 118 | 64.1 Ų | 64.1 | 55% | 0.551 | 33% | 0.329 | S | S | * | . | H | α-helix | trans | -82.4 | -44.8 | 175.5 | -177.8 | 177.6 | -15.8 | 0 | 0 | 111.3 | W40 L41 Y89 | W40-Q43 WeakPolarHBondContact O-CA 2.91Å; W40-Q43 WeakPolarHBondContact O-CB 3.24Å; W40-Q43 PolarHBondContact O-N 3.03Å; L41-Q43 VanDerWaalsContact C-N 3.28Å; Q43-Y89 VanDerWaalsContact CD-OH 3.24Å; Q43-Y89 PolarHBondContact NE2-OH 3.3Å |
| 44 | I | 96.8 | Very high | 96.9 | Very high | 16 Ų | 16 | 61.5 Ų | 61.5 | 8% | 0.082 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -85 | -23.6 | -178.3 | 64.1 | 166.6 | 0 | 0 | 0 | 113.5 | I37 W40 L41 L70 F71 L85 Y89 | I37-I44 HydrophobicContact CD1-CD1 4.04Å; I37-I44 HydrophobicContact CG1-CD1 4.08Å; W40-I44 PolarHBondContact O-N 3.31Å; L41-I44 HydrophobicContact CD2-CD1 4.22Å; L41-I44 HydrophobicContact CD2-CG1 4.41Å; I44-L70 HydrophobicContact CB-CD1 4.47Å; I44-L70 HydrophobicContact CB-CD2 4.27Å; I44-L70 WeakPolarHBondContact O-CD1 3.17Å; I44-F71 HydrophobicContact CD1-CE2 4.12Å; I44-L85 HydrophobicContact CD1-CD1 4.21Å; I44-L85 HydrophobicContact CD1-CD2 4.44Å; I44-L85 HydrophobicContact CG2-CD1 4.07Å; I44-Y89 HydrophobicContact CG2-CD2 4.41Å; I44-Y89 HydrophobicContact CG2-CE2 3.49Å; I44-Y89 VanDerWaalsContact CG2-CE2 3.49Å |
| 45 | M | 97.1 | Very high | 96.8 | Very high | 0 Ų | 0 | 66.2 Ų | 66.2 | 0% | 0 | 33% | 0.334 | C | S | . | . | S | Bend | trans | -131.8 | 70.1 | 174.2 | -59 | 173.2 | 72.4 | 0 | 0 | 110.7 | I23 K27 L30 L41 V51 L63 V65 L70 | I23-M45 HydrophobicContact CG2-CE 4.1Å; K27-M45 HydrophobicContact CG-CE 4.22Å; K27-M45 HydrophobicContact CG-SD 4.15Å; K27-M45 PolarHBondContact NZ-O 3.21Å; L30-M45 HydrophobicContact CD1-SD 4.31Å; L41-M45 HydrophobicContact CD2-SD 4.23Å; L41-M45 CarbonylContact O-C 3.59Å; L41-M45 WeakPolarHBondContact O-CA 3.31Å; L41-M45 WeakPolarHBondContact O-CB 3.11Å; L41-M45 PolarHBondContact O-N 3.18Å; M45-V51 HydrophobicContact CE-CB 4.46Å; M45-V51 HydrophobicContact CE-CG1 3.68Å; M45-V51 HydrophobicContact CE-CG2 3.9Å; M45-L63 HydrophobicContact CE-CD1 4.47Å; M45-L63 HydrophobicContact CE-CD2 4.04Å; M45-L63 HydrophobicContact SD-CD2 4.11Å; M45-V65 HydrophobicContact CB-CG2 4.33Å; M45-V65 HydrophobicContact CG-CG2 3.97Å; M45-L70 HydrophobicContact CG-CD1 3.6Å |
| 46 | P | 96.1 | Very high | 96.7 | Very high | 36 Ų | 36 | 62.3 Ų | 62.3 | 23% | 0.234 | 31% | 0.309 | C | S | . | . | trans | -58.9 | 141.9 | -179.2 | -22.3 | 34.7 | 0 | 0 | 0 | 112 | N42 K48 D49 | N42-P46 VanDerWaalsContact O-CA 3.31Å; N42-P46 WeakPolarHBondContact O-CA 3.18Å; P46-K48 PolarHBondContact O-N 3.18Å; P46-K48 VanDerWaalsContact O-N 3.13Å; P46-D49 WeakPolarHBondContact CB-OD2 3.43Å; P46-D49 WeakPolarHBondContact CG-OD2 3.49Å; P46-D49 PolarHBondContact O-N 2.89Å; P46-D49 VanDerWaalsContact O-N 3.15Å | ||
| 47 | K | 92.8 | Very high | 96.5 | Very high | 183 Ų | 183 | 65 Ų | 65 | 80% | 0.796 | 31% | 0.311 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.3 | -23.9 | -174.7 | -66.8 | -178.2 | -179.6 | 176.9 | 0 | 114.4 | ||
| 48 | K | 94.3 | Very high | 96.2 | Very high | 201 Ų | 201 | 68.9 Ų | 68.9 | 87% | 0.874 | 33% | 0.329 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84.3 | -19.6 | -177.9 | -64.6 | -176.4 | 179 | -178.5 | 0 | 112.6 | P46 | P46-K48 PolarHBondContact O-N 3.18Å; P46-K48 VanDerWaalsContact O-N 3.13Å |
| 49 | D | 96.8 | Very high | 96 | Very high | 51 Ų | 51 | 68.9 Ų | 68.9 | 27% | 0.273 | 33% | 0.329 | S | S | . | . | S | Bend | trans | -96.5 | 138.8 | -170.4 | -61.7 | -25.7 | 0 | 0 | 0 | 110.5 | P46 V51 V65 N66 | P46-D49 WeakPolarHBondContact CB-OD2 3.43Å; P46-D49 WeakPolarHBondContact CG-OD2 3.49Å; P46-D49 PolarHBondContact O-N 2.89Å; P46-D49 VanDerWaalsContact O-N 3.15Å; D49-V51 PolarHBondContact O-N 3.2Å; D49-V65 HydrophobicContact CB-CG1 3.85Å; D49-N66 WeakPolarHBondContact CB-OD1 3.49Å; D49-N66 VanDerWaalsContact CG-ND2 3.33Å; D49-N66 PolarHBondContact OD2-ND2 3.16Å |
| 50 | P | 96.8 | Very high | 95.9 | Very high | 56 Ų | 56 | 64.6 Ų | 64.6 | 36% | 0.364 | 30% | 0.301 | S | S | . | . | P | Polyproline II helix | trans | -67.1 | 125 | 178.9 | 26.6 | -31.7 | 0 | 0 | 0 | 110 | Q17 | Q17-P50 HydrophobicContact CG-CB 4.12Š|
| 51 | V | 98.3 | Very high | 95.9 | Very high | 4 Ų | 4 | 61.2 Ų | 61.2 | 2% | 0.024 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.9 | 131.8 | 171.2 | -175.5 | 0 | 0 | 0 | 0 | 108.6 | L18 I23 M45 D49 L63 V65 | L18-V51 HydrophobicContact CD1-CG1 3.88Å; L18-V51 HydrophobicContact CG-CG1 4.47Å; L18-V51 PolarHBondContact N-O 2.72Å; I23-V51 HydrophobicContact CD1-CB 3.75Å; I23-V51 HydrophobicContact CD1-CG2 3.75Å; I23-V51 HydrophobicContact CG1-CB 3.89Å; I23-V51 HydrophobicContact CG1-CG1 4.33Å; I23-V51 HydrophobicContact CG1-CG2 4.06Å; I23-V51 HydrophobicContact CG2-CG2 4.1Å; M45-V51 HydrophobicContact CE-CB 4.46Å; M45-V51 HydrophobicContact CE-CG1 3.68Å; M45-V51 HydrophobicContact CE-CG2 3.9Å; D49-V51 PolarHBondContact O-N 3.2Å; V51-L63 HydrophobicContact CG1-CD1 3.48Å; V51-L63 VanDerWaalsContact CG1-CD1 3.48Å; V51-L63 HydrophobicContact CG1-CG 4.39Å; V51-V65 HydrophobicContact CB-CG2 4.27Å; V51-V65 HydrophobicContact CG1-CG2 4.09Å; V51-V65 HydrophobicContact CG2-CG2 3.92Å |
| 52 | K | 98.3 | Very high | 95.9 | Very high | 57 Ų | 57 | 60.8 Ų | 60.8 | 25% | 0.248 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.9 | 154.1 | -179 | -54.5 | 176.1 | -175.7 | 176.9 | 0 | 111.6 | I16 Q17 T64 | I16-K52 CarbonylContact O-C 3.58Å; I16-K52 WeakPolarHBondContact O-CA 3.36Å; Q17-K52 HydrophobicContact CB-CG 4.45Å; K52-T64 HydrophobicContact CB-CG2 3.82Å; K52-T64 PolarHBondContact N-O 3.21Å; K52-T64 PolarHBondContact O-N 2.92Å |
| 53 | I | 97.9 | Very high | 96.1 | Very high | 7 Ų | 7 | 56 Ų | 56 | 4% | 0.036 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.2 | 122.3 | 164.4 | -71.7 | -74.8 | 0 | 0 | 0 | 108.1 | C15 I16 L18 R55 E61 I62 L63 | C15-I53 CarbonylContact C-O 3.47Å; C15-I53 WeakPolarHBondContact CA-O 3.27Å; I16-I53 PolarHBondContact N-O 2.92Å; I16-I53 PolarHBondContact O-N 3.34Å; L18-I53 HydrophobicContact CD1-CG1 3.96Å; L18-I53 HydrophobicContact CD2-CB 4.31Å; L18-I53 HydrophobicContact CD2-CG1 3.8Å; L18-I53 HydrophobicContact CG-CG1 4.17Å; I53-R55 HydrophobicContact CG2-CG 4.12Å; I53-E61 HydrophobicContact CG2-CB 3.76Å; I53-E61 HydrophobicContact CG2-CG 3.9Å; I53-I62 CarbonylContact C-O 3.15Å; I53-I62 WeakPolarHBondContact CA-O 3.2Å; I53-L63 HydrophobicContact CD1-CB 4.06Å; I53-L63 HydrophobicContact CD1-CD1 3.81Å; I53-L63 HydrophobicContact CG1-CD1 4.39Å |
| 54 | V | 97.8 | Very high | 96.2 | Very high | 0 Ų | 0 | 50.6 Ų | 50.6 | 0% | 0 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87 | 119.4 | 167.2 | -171.6 | 0 | 0 | 0 | 0 | 107.4 | V12 E61 I62 T64 M178 Y181 | V12-V54 HydrophobicContact CB-CG1 4.44Å; V12-V54 HydrophobicContact CG1-CG1 3.58Å; V12-V54 HydrophobicContact CG2-CG1 4.03Å; V54-E61 CarbonylContact O-C 3.58Å; V54-E61 WeakPolarHBondContact O-CA 3.44Å; V54-I62 HydrophobicContact CB-CB 4.26Å; V54-I62 PolarHBondContact N-O 3.41Å; V54-I62 PolarHBondContact O-N 3.3Å; V54-T64 HydrophobicContact CG2-CG2 3.78Å; V54-M178 HydrophobicContact CG1-CE 4.29Å; V54-Y181 HydrophobicContact CG1-CD2 4.05Å; V54-Y181 HydrophobicContact CG1-CE2 3.84Å; V54-Y181 HydrophobicContact CG2-CD1 3.57Å; V54-Y181 HydrophobicContact CG2-CD2 3.71Å; V54-Y181 HydrophobicContact CG2-CE1 3.84Å; V54-Y181 HydrophobicContact CG2-CE2 3.97Å; V54-Y181 HydrophobicContact CG2-CG 3.5Å; V54-Y181 VanDerWaalsContact CG2-CG 3.5Å |
| 55 | R | 96.2 | Very high | 96.2 | Very high | 108 Ų | 108 | 50 Ų | 50 | 41% | 0.408 | 23% | 0.233 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.4 | 135.3 | 174.7 | -62.3 | -169.8 | 165.2 | 157.7 | 3 | 109.8 | S13 N14 I53 E61 | S13-R55 PolarHBondContact N-O 2.91Å; N14-R55 PolarHBondContact N-O 2.86Å; N14-R55 PolarHBondContact O-N 3.04Å; N14-R55 VanDerWaalsContact OD1-CB 3.26Å; N14-R55 WeakPolarHBondContact OD1-CB 3.34Å; N14-R55 VanDerWaalsContact OD1-CD 3.29Å; N14-R55 WeakPolarHBondContact OD1-CD 3.44Å; N14-R55 VanDerWaalsContact OD1-CG 3.27Å; N14-R55 WeakPolarHBondContact OD1-CG 3.23Å; I53-R55 HydrophobicContact CG2-CG 4.12Å; R55-E61 HydrophobicContact CG-CG 4.32Å; R55-E61 IonicContact CZ-OE1 3.13Å; R55-E61 IonicContact NE-OE1 2.57Å; R55-E61 PolarHBondContact NE-OE1 3.25Å; R55-E61 IonicContact NH2-OE1 3.66Å |
| 56 | C | 95.4 | Very high | 96.1 | Very high | 8 Ų | 8 | 55.2 Ų | 55.2 | 5% | 0.054 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.2 | 169.9 | -178.6 | -58.4 | 0 | 0 | 0 | 0 | 111.1 | F6 N11 I60 | F6-C56 HydrophobicContact CE2-CB 3.87Å; N11-C56 CarbonylContact O-C 3.57Å; N11-C56 WeakPolarHBondContact O-CA 3.31Å; N11-C56 VanDerWaalsContact O-CB 3.3Å; N11-C56 WeakPolarHBondContact O-CB 3.11Å; C56-I60 HydrophobicContact CB-CB 3.98Å; C56-I60 HydrophobicContact CB-CG2 4.24Å; C56-I60 PolarHBondContact N-O 3.37Å |
| 57 | H | 92.9 | Very high | 96.1 | Very high | 94 Ų | 94 | 54.1 Ų | 54.1 | 44% | 0.435 | 26% | 0.257 | S | S | . | . | G | 310 helix | trans | -55.5 | 163.6 | 169.5 | -66.2 | 175.8 | 0 | 0 | 0 | 111.8 | E10 N11 S13 H59 I60 | E10-H57 PolarHBondContact O-CE1 3.37Å; E10-H57 PolarHBondContact O-ND1 3.29Å; N11-H57 HydrophobicContact CB-CB 4.35Å; N11-H57 PolarHBondContact ND2-ND1 3.03Å; N11-H57 PolarHBondContact O-N 3.37Å; S13-H57 PolarHBondContact OG-CD2 3.4Å; H57-H59 PolarHBondContact O-N 2.91Å; H57-H59 VanDerWaalsContact O-N 3.15Å; H57-I60 PolarHBondContact O-N 2.84Å |
| 58 | E | 90.6 | Very high | 96.3 | Very high | 82 Ų | 82 | 49.4 Ų | 49.4 | 38% | 0.383 | 24% | 0.237 | S | C | . | . | G | 310 helix | trans | 58.7 | 22.7 | -176.4 | -50.9 | -170.1 | 162.2 | 0 | 0 | 114.7 | M1 G2 I60 Q74 | M1-E58 WeakPolarHBondContact CA-OE2 3.21Å; G2-E58 VanDerWaalsContact CA-OE1 3.22Å; G2-E58 WeakPolarHBondContact CA-OE1 3.49Å; G2-E58 PolarHBondContact N-OE1 3.13Å; G2-E58 VanDerWaalsContact N-OE1 3.12Å; G2-E58 PolarHBondContact N-OE2 3.06Å; E58-I60 VanDerWaalsContact C-N 3.27Å; E58-I60 PolarHBondContact O-N 3.37Å; E58-Q74 WeakPolarHBondContact O-CG 3.34Å; E58-Q74 PolarHBondContact O-NE2 3.23Å |
| 59 | H | 93.4 | Very high | 96.5 | Very high | 118 Ų | 118 | 40.4 Ų | 40.4 | 55% | 0.546 | 20% | 0.199 | S | C | . | . | G | 310 helix | trans | 61.7 | 32.1 | -177.8 | -45.7 | -80.9 | 0 | 0 | 0 | 113.4 | H57 Q74 R75 | H57-H59 PolarHBondContact O-N 2.91Å; H57-H59 VanDerWaalsContact O-N 3.15Å; H59-Q74 CarbonylContact O-C 3.58Å; H59-Q74 WeakPolarHBondContact O-CA 3.37Å; H59-R75 HydrophobicContact CB-CG 3.66Å; H59-R75 PolarHBondContact O-N 2.8Å |
| 60 | I | 95.8 | Very high | 96.6 | Very high | 13 Ų | 13 | 38.1 Ų | 38.1 | 7% | 0.067 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.7 | 136.1 | 173.7 | -66.9 | 169.9 | 0 | 0 | 0 | 109.2 | M1 C56 H57 E58 I62 R73 Q74 | M1-I60 HydrophobicContact CE-CD1 4.26Å; M1-I60 HydrophobicContact CG-CD1 4.27Å; C56-I60 HydrophobicContact CB-CB 3.98Å; C56-I60 HydrophobicContact CB-CG2 4.24Å; C56-I60 PolarHBondContact N-O 3.37Å; H57-I60 PolarHBondContact O-N 2.84Å; E58-I60 VanDerWaalsContact C-N 3.27Å; E58-I60 PolarHBondContact O-N 3.37Å; I60-I62 HydrophobicContact CG2-CG1 4.19Å; I60-R73 WeakPolarHBondContact CA-O 3.14Å; I60-Q74 HydrophobicContact CG1-CB 4.39Å; I60-Q74 HydrophobicContact CG1-CG 4.2Å |
| 61 | E | 97.3 | Very high | 96.7 | Very high | 25 Ų | 25 | 35.5 Ų | 35.5 | 12% | 0.117 | 17% | 0.169 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.1 | 130.5 | 173.5 | -69.1 | -167.3 | 145.5 | 0 | 0 | 109.7 | I53 V54 R55 F72 R73 | I53-E61 HydrophobicContact CG2-CB 3.76Å; I53-E61 HydrophobicContact CG2-CG 3.9Å; V54-E61 CarbonylContact O-C 3.58Å; V54-E61 WeakPolarHBondContact O-CA 3.44Å; R55-E61 HydrophobicContact CG-CG 4.32Å; R55-E61 IonicContact CZ-OE1 3.13Å; R55-E61 IonicContact NE-OE1 2.57Å; R55-E61 PolarHBondContact NE-OE1 3.25Å; R55-E61 IonicContact NH2-OE1 3.66Å; E61-F72 CarbonylContact O-C 3.53Å; E61-F72 WeakPolarHBondContact O-CA 3.39Å; E61-F72 WeakPolarHBondContact O-CB 3.47Å; E61-R73 HydrophobicContact CB-CG 4.06Å; E61-R73 PolarHBondContact N-O 2.87Å; E61-R73 PolarHBondContact O-N 2.86Å; E61-R73 IonicContact OE2-CZ 3.34Å; E61-R73 VanDerWaalsContact OE2-CZ 3.27Å; E61-R73 IonicContact OE2-NE 2.8Å; E61-R73 PolarHBondContact OE2-NE 2.83Å; E61-R73 IonicContact OE2-NH2 3.23Å; E61-R73 PolarHBondContact OE2-NH2 3.4Å |
| 62 | I | 98.3 | Very high | 96.7 | Very high | 0 Ų | 0 | 36 Ų | 36 | 0% | 0 | 17% | 0.171 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.9 | 120.7 | -179.8 | -51.1 | 164.9 | 0 | 0 | 0 | 109.3 | F6 I53 V54 I60 L69 F71 F72 L175 M178 | F6-I62 HydrophobicContact CZ-CD1 4.26Å; I53-I62 CarbonylContact C-O 3.15Å; I53-I62 WeakPolarHBondContact CA-O 3.2Å; V54-I62 HydrophobicContact CB-CB 4.26Å; V54-I62 PolarHBondContact N-O 3.41Å; V54-I62 PolarHBondContact O-N 3.3Å; I60-I62 HydrophobicContact CG2-CG1 4.19Å; I62-L69 HydrophobicContact CG2-CB 4.03Å; I62-L69 HydrophobicContact CG2-CD1 4.27Å; I62-L69 HydrophobicContact CG2-CD2 3.97Å; I62-L69 HydrophobicContact CG2-CG 4.32Å; I62-F71 CarbonylContact C-O 3.5Å; I62-F72 HydrophobicContact CG1-CB 4.09Å; I62-L175 HydrophobicContact CD1-CD1 3.59Å; I62-L175 HydrophobicContact CG1-CD1 4.24Å; I62-M178 HydrophobicContact CD1-CE 4.27Å; I62-M178 HydrophobicContact CD1-SD 3.75Å |
| 63 | L | 98.4 | Very high | 96.6 | Very high | 0 Ų | 0 | 34.7 Ų | 34.7 | 0% | 0 | 17% | 0.165 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -78.7 | 122.1 | 174.2 | -173.5 | 70.6 | 0 | 0 | 0 | 109.9 | L18 I26 L30 M45 V51 I53 L70 F71 F79 | L18-L63 HydrophobicContact CD1-CD1 4.13Å; I26-L63 HydrophobicContact CD1-CD1 4.33Å; I26-L63 HydrophobicContact CG2-CD2 3.93Å; L30-L63 HydrophobicContact CD1-CD2 4.22Å; M45-L63 HydrophobicContact CE-CD1 4.47Å; M45-L63 HydrophobicContact CE-CD2 4.04Å; M45-L63 HydrophobicContact SD-CD2 4.11Å; V51-L63 HydrophobicContact CG1-CD1 3.48Å; V51-L63 VanDerWaalsContact CG1-CD1 3.48Å; V51-L63 HydrophobicContact CG1-CG 4.39Å; I53-L63 HydrophobicContact CD1-CB 4.06Å; I53-L63 HydrophobicContact CD1-CD1 3.81Å; I53-L63 HydrophobicContact CG1-CD1 4.39Å; L63-L70 PolarHBondContact O-N 2.77Å; L63-F71 HydrophobicContact CB-CB 4.38Å; L63-F71 HydrophobicContact CD2-CD2 4.21Å; L63-F71 PolarHBondContact N-O 2.85Å; L63-F79 HydrophobicContact CB-CE1 4.49Å |
| 64 | T | 98.3 | Very high | 96.5 | Very high | 3 Ų | 3 | 38 Ų | 38 | 2% | 0.018 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.1 | 144.3 | -178.4 | -175.6 | 0 | 0 | 0 | 0 | 112.6 | K52 V54 E68 Y181 | K52-T64 HydrophobicContact CB-CG2 3.82Å; K52-T64 PolarHBondContact N-O 3.21Å; K52-T64 PolarHBondContact O-N 2.92Å; V54-T64 HydrophobicContact CG2-CG2 3.78Å; T64-E68 WeakPolarHBondContact CA-O 3.46Å; T64-E68 VanDerWaalsContact CB-O 3.31Å; T64-E68 WeakPolarHBondContact CB-O 3.35Å; T64-E68 PolarHBondContact OG1-O 2.84Å; T64-Y181 HydrophobicContact CG2-CD1 4.15Å |
| 65 | V | 98 | Very high | 96.2 | Very high | 4 Ų | 4 | 46 Ų | 46 | 2% | 0.024 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.5 | 130.9 | 173.2 | -176.8 | 0 | 0 | 0 | 0 | 108.1 | M45 D49 V51 G67 E68 L70 | M45-V65 HydrophobicContact CB-CG2 4.33Å; M45-V65 HydrophobicContact CG-CG2 3.97Å; D49-V65 HydrophobicContact CB-CG1 3.85Å; V51-V65 HydrophobicContact CB-CG2 4.27Å; V51-V65 HydrophobicContact CG1-CG2 4.09Å; V51-V65 HydrophobicContact CG2-CG2 3.92Å; V65-G67 PolarHBondContact O-N 3.1Å; V65-E68 PolarHBondContact N-O 2.87Å; V65-E68 PolarHBondContact O-N 2.75Å; V65-L70 HydrophobicContact CB-CD1 4.18Å; V65-L70 HydrophobicContact CG2-CD1 3.78Å |
| 66 | N | 95.4 | Very high | 95.7 | Very high | 109 Ų | 109 | 48.2 Ų | 48.2 | 58% | 0.583 | 23% | 0.225 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 50.3 | 30.9 | -176.7 | -59 | -27.2 | 0 | 0 | 0 | 113.8 | D49 E68 | D49-N66 WeakPolarHBondContact CB-OD1 3.49Å; D49-N66 VanDerWaalsContact CG-ND2 3.33Å; D49-N66 PolarHBondContact OD2-ND2 3.16Å; N66-E68 PolarHBondContact O-N 2.96Å |
| 67 | G | 95.1 | Very high | 95.7 | Very high | 14 Ų | 14 | 48.9 Ų | 48.9 | 14% | 0.144 | 23% | 0.234 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 76.2 | -4.3 | -177.9 | 0 | 0 | 0 | 0 | 0 | 116.3 | V65 T180 Y181 | V65-G67 PolarHBondContact O-N 3.1Å; G67-T180 CarbonylContact O-C 3.37Å; G67-T180 WeakPolarHBondContact O-CA 3.33Å; G67-T180 WeakPolarHBondContact O-CB 3.05Å; G67-Y181 WeakPolarHBondContact CA-O 3.45Å; G67-Y181 PolarHBondContact O-N 3.4Å |
| 68 | E | 97.4 | Very high | 95.9 | Very high | 83 Ų | 83 | 46.9 Ų | 46.9 | 39% | 0.388 | 23% | 0.229 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -73.6 | 134.2 | 168.9 | -69.2 | -104.7 | 146.4 | 0 | 0 | 109.6 | T64 V65 N66 L70 K88 | T64-E68 WeakPolarHBondContact CA-O 3.46Å; T64-E68 VanDerWaalsContact CB-O 3.31Å; T64-E68 WeakPolarHBondContact CB-O 3.35Å; T64-E68 PolarHBondContact OG1-O 2.84Å; V65-E68 PolarHBondContact N-O 2.87Å; V65-E68 PolarHBondContact O-N 2.75Å; N66-E68 PolarHBondContact O-N 2.96Å; E68-L70 HydrophobicContact CB-CD2 4.22Å; E68-K88 IonicContact OE1-NZ 3.32Å; E68-K88 PolarHBondContact OE1-NZ 2.76Å; E68-K88 IonicContact OE2-NZ 2.7Å; E68-K88 PolarHBondContact OE2-NZ 3.26Å |
| 69 | L | 98.3 | Very high | 96.3 | Very high | 12 Ų | 12 | 43 Ų | 43 | 6% | 0.063 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.1 | 114.7 | 175.3 | -50.7 | -169.8 | 0 | 0 | 0 | 109.2 | I62 T82 L175 M178 | I62-L69 HydrophobicContact CG2-CB 4.03Å; I62-L69 HydrophobicContact CG2-CD1 4.27Å; I62-L69 HydrophobicContact CG2-CD2 3.97Å; I62-L69 HydrophobicContact CG2-CG 4.32Å; L69-T82 HydrophobicContact CB-CG2 3.9Å; L69-T82 WeakPolarHBondContact O-CG2 3.29Å; L69-T82 PolarHBondContact O-OG1 2.96Å; L69-L175 HydrophobicContact CD1-CD1 3.69Å; L69-M178 HydrophobicContact CD1-CB 4.25Å; L69-M178 HydrophobicContact CD1-CE 4.36Å; L69-M178 HydrophobicContact CD1-CG 3.91Å; L69-M178 WeakPolarHBondContact CD1-O 3.2Å; L69-M178 HydrophobicContact CD1-SD 3.91Å; L69-M178 HydrophobicContact CD2-CE 4.4Å |
| 70 | L | 98.6 | Very high | 96.5 | Very high | 4 Ų | 4 | 38.9 Ų | 38.9 | 2% | 0.021 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96 | -61 | -170.6 | -55.8 | -179.5 | 0 | 0 | 0 | 111.4 | I44 M45 L63 V65 E68 T82 L85 | I44-L70 HydrophobicContact CB-CD1 4.47Å; I44-L70 HydrophobicContact CB-CD2 4.27Å; I44-L70 WeakPolarHBondContact O-CD1 3.17Å; M45-L70 HydrophobicContact CG-CD1 3.6Å; L63-L70 PolarHBondContact O-N 2.77Å; V65-L70 HydrophobicContact CB-CD1 4.18Å; V65-L70 HydrophobicContact CG2-CD1 3.78Å; E68-L70 HydrophobicContact CB-CD2 4.22Å; L70-T82 PolarHBondContact O-N 3.23Å; L70-L85 HydrophobicContact CB-CD2 4.32Å; L70-L85 HydrophobicContact CD2-CD1 4.25Å; L70-L85 WeakPolarHBondContact O-CD2 3.27Å |
| 71 | F | 98.7 | Very high | 96.7 | Very high | 0 Ų | 0 | 38.3 Ų | 38.3 | 0% | 0 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.4 | 158.6 | -178.1 | -63.7 | -94.1 | 0 | 0 | 0 | 109.7 | L30 F34 I37 I44 I62 L63 F79 Y80 P81 L85 | L30-F71 HydrophobicContact CD1-CD2 3.91Å; L30-F71 HydrophobicContact CD1-CE2 3.78Å; L30-F71 HydrophobicContact CD1-CZ 4.34Å; L30-F71 HydrophobicContact CD2-CD1 3.74Å; L30-F71 HydrophobicContact CD2-CD2 3.97Å; L30-F71 HydrophobicContact CD2-CE1 3.8Å; L30-F71 HydrophobicContact CD2-CE2 4.03Å; L30-F71 HydrophobicContact CD2-CG 3.85Å; L30-F71 HydrophobicContact CD2-CZ 3.95Å; F34-F71 AromaticContact CD2-CE1 3.79Å; F34-F71 HydrophobicContact CD2-CE1 3.79Å; F34-F71 HydrophobicContact CD2-CZ 4.44Å; F34-F71 HydrophobicContact CE2-CD1 4.07Å; F34-F71 AromaticContact CE2-CE1 3.68Å; F34-F71 HydrophobicContact CE2-CE1 3.68Å; I37-F71 HydrophobicContact CG1-CZ 4.48Å; I44-F71 HydrophobicContact CD1-CE2 4.12Å; I62-F71 CarbonylContact C-O 3.5Å; L63-F71 HydrophobicContact CB-CB 4.38Å; L63-F71 HydrophobicContact CD2-CD2 4.21Å; L63-F71 PolarHBondContact N-O 2.85Å; F71-F79 HydrophobicContact CB-CB 4.18Å; F71-F79 HydrophobicContact CB-CD1 3.7Å; F71-F79 HydrophobicContact CB-CE1 4.49Å; F71-F79 HydrophobicContact CB-CG 4.24Å; F71-F79 HydrophobicContact CD1-CB 4.23Å; F71-F79 HydrophobicContact CG-CB 4.49Å; F71-Y80 CarbonylContact C-O 3.47Å; F71-Y80 WeakPolarHBondContact CA-O 3.45Å; F71-Y80 WeakPolarHBondContact CB-O 3.16Å; F71-P81 HydrophobicContact CD1-CB 4.03Å; F71-P81 HydrophobicContact CE1-CB 3.84Å; F71-L85 HydrophobicContact CD1-CD2 4.49Å; F71-L85 HydrophobicContact CD2-CD2 3.97Å; F71-L85 HydrophobicContact CE1-CD2 4.01Å; F71-L85 HydrophobicContact CE2-CD2 3.42Å; F71-L85 VanDerWaalsContact CE2-CD2 3.42Å; F71-L85 HydrophobicContact CG-CD2 4.47Å; F71-L85 HydrophobicContact CZ-CD2 3.44Å; F71-L85 VanDerWaalsContact CZ-CD2 3.44Å |
| 72 | F | 98.5 | Very high | 96.7 | Very high | 15 Ų | 15 | 37.3 Ų | 37.3 | 7% | 0.066 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.1 | 157.7 | 169.9 | 68.3 | -79.4 | 0 | 0 | 0 | 110.3 | E61 I62 F79 Y80 T82 I168 H169 L175 | E61-F72 CarbonylContact O-C 3.53Å; E61-F72 WeakPolarHBondContact O-CA 3.39Å; E61-F72 WeakPolarHBondContact O-CB 3.47Å; I62-F72 HydrophobicContact CG1-CB 4.09Å; F72-F79 CarbonylContact O-C 3.6Å; F72-F79 WeakPolarHBondContact O-CA 3.41Å; F72-Y80 WeakPolarHBondContact CD1-O 3.45Å; F72-Y80 HydrophobicContact CD2-CD2 4.31Å; F72-Y80 AromaticContact CE2-CD2 3.86Å; F72-Y80 HydrophobicContact CE2-CD2 3.86Å; F72-Y80 HydrophobicContact CE2-CG 4.24Å; F72-Y80 VanDerWaalsContact CZ-CB 3.49Å; F72-Y80 HydrophobicContact CZ-CD2 4.16Å; F72-Y80 HydrophobicContact CZ-CG 4.04Å; F72-Y80 PolarHBondContact N-O 2.8Å; F72-Y80 PolarHBondContact O-N 3.12Å; F72-T82 HydrophobicContact CD1-CG2 4.37Å; F72-I168 HydrophobicContact CE2-CG2 3.8Å; F72-I168 HydrophobicContact CZ-CG2 3.77Å; F72-H169 HydrophobicContact CE1-CB 3.9Å; F72-H169 AromaticContact CE1-CD2 4Å; F72-H169 HydrophobicContact CZ-CB 3.57Å; F72-L175 HydrophobicContact CB-CD2 4.35Å; F72-L175 HydrophobicContact CD1-CD2 3.48Å; F72-L175 VanDerWaalsContact CD1-CD2 3.48Å; F72-L175 HydrophobicContact CD2-CD2 4.41Å; F72-L175 HydrophobicContact CE1-CD2 3.8Å; F72-L175 HydrophobicContact CG-CD2 3.82Å; F72-L175 HydrophobicContact CZ-CD2 4.4Å |
| 73 | R | 97.3 | Very high | 96.7 | Very high | 30 Ų | 30 | 37.3 Ų | 37.3 | 11% | 0.113 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.1 | 160.5 | 172.5 | 63.8 | -179.3 | -177.3 | 155.2 | 13 | 109.5 | I60 E61 E76 P78 F79 | I60-R73 WeakPolarHBondContact CA-O 3.14Å; E61-R73 HydrophobicContact CB-CG 4.06Å; E61-R73 PolarHBondContact N-O 2.87Å; E61-R73 PolarHBondContact O-N 2.86Å; E61-R73 IonicContact OE2-CZ 3.34Å; E61-R73 VanDerWaalsContact OE2-CZ 3.27Å; E61-R73 IonicContact OE2-NE 2.8Å; E61-R73 PolarHBondContact OE2-NE 2.83Å; E61-R73 IonicContact OE2-NH2 3.23Å; E61-R73 PolarHBondContact OE2-NH2 3.4Å; R73-E76 IonicContact CZ-OE2 3.64Å; R73-E76 IonicContact NH1-OE2 3.26Å; R73-E76 PolarHBondContact NH1-OE2 2.87Å; R73-E76 IonicContact NH2-OE1 3.27Å; R73-E76 IonicContact NH2-OE2 2.7Å; R73-E76 PolarHBondContact NH2-OE2 2.82Å; R73-P78 WeakPolarHBondContact CB-O 3.19Å; R73-F79 HydrophobicContact CB-CD1 4.04Å; R73-F79 HydrophobicContact CB-CE1 4.25Å; R73-F79 HydrophobicContact CG-CD1 4.21Å; R73-F79 HydrophobicContact CG-CE1 3.89Å; R73-F79 HydrophobicContact CG-CZ 4.36Å |
| 74 | Q | 93.9 | Very high | 96.7 | Very high | 77 Ų | 77 | 40.7 Ų | 40.7 | 36% | 0.36 | 20% | 0.197 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.5 | 127.5 | 170.7 | -172.9 | 171.9 | 27.7 | 0 | 0 | 108.8 | E58 H59 I60 G77 | E58-Q74 WeakPolarHBondContact O-CG 3.34Å; E58-Q74 PolarHBondContact O-NE2 3.23Å; H59-Q74 CarbonylContact O-C 3.58Å; H59-Q74 WeakPolarHBondContact O-CA 3.37Å; I60-Q74 HydrophobicContact CG1-CB 4.39Å; I60-Q74 HydrophobicContact CG1-CG 4.2Å; Q74-G77 PolarHBondContact O-N 3.3Å; Q74-G77 VanDerWaalsContact O-N 3.12Å |
| 75 | R | 91.5 | Very high | 96.7 | Very high | 166 Ų | 166 | 40.7 Ų | 40.7 | 63% | 0.626 | 20% | 0.197 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 52.7 | -147.4 | -169.7 | -56.9 | 172.3 | 177.5 | -109.9 | -2.2 | 109.6 | H59 G77 | H59-R75 HydrophobicContact CB-CG 3.66Å; H59-R75 PolarHBondContact O-N 2.8Å; R75-G77 PolarHBondContact O-N 3.2Å |
| 76 | E | 87 | Confident | 96.8 | Very high | 155 Ų | 155 | 40.7 Ų | 40.7 | 72% | 0.724 | 20% | 0.196 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -85 | 32.7 | 172.6 | -60 | -58.6 | 152.1 | 0 | 0 | 112.5 | R73 | R73-E76 IonicContact CZ-OE2 3.64Å; R73-E76 IonicContact NH1-OE2 3.26Å; R73-E76 PolarHBondContact NH1-OE2 2.87Å; R73-E76 IonicContact NH2-OE1 3.27Å; R73-E76 IonicContact NH2-OE2 2.7Å; R73-E76 PolarHBondContact NH2-OE2 2.82Å |
| 77 | G | 94.4 | Very high | 96.9 | Very high | 23 Ų | 23 | 37.5 Ų | 37.5 | 24% | 0.237 | 18% | 0.178 | C | C | . | . | trans | -75.6 | -179.8 | 175.4 | 0 | 0 | 0 | 0 | 0 | 113.4 | Q74 R75 | Q74-G77 PolarHBondContact O-N 3.3Å; Q74-G77 VanDerWaalsContact O-N 3.12Å; R75-G77 PolarHBondContact O-N 3.2Å | ||
| 78 | P | 97.4 | Very high | 97 | Very high | 52 Ų | 52 | 42.4 Ų | 42.4 | 34% | 0.338 | 20% | 0.195 | S | C | . | . | trans | -63.3 | 154.4 | 175.6 | 28 | -34.9 | 0 | 0 | 0 | 111.4 | R73 Y80 I132 | R73-P78 WeakPolarHBondContact CB-O 3.19Å; P78-Y80 HydrophobicContact CG-CE1 4.31Å; P78-Y80 HydrophobicContact CG-CE2 4.17Å; P78-Y80 WeakPolarHBondContact CG-OH 3.33Å; P78-Y80 WeakPolarHBondContact O-CE2 3.42Å; P78-I132 HydrophobicContact CB-CD1 4.29Å | ||
| 79 | F | 98.5 | Very high | 97.1 | Very high | 0 Ų | 0 | 39.4 Ų | 39.4 | 0% | 0 | 18% | 0.18 | C | C | . | . | trans | -73.6 | 144.6 | 165.3 | -78.8 | -72.5 | 0 | 0 | 0 | 110.9 | I26 Q29 L30 Q33 F34 L63 F71 F72 R73 I132 | I26-F79 HydrophobicContact CD1-CZ 4.46Å; I26-F79 HydrophobicContact CG1-CE2 4.37Å; I26-F79 HydrophobicContact CG1-CZ 4.39Å; I26-F79 HydrophobicContact CG2-CE2 3.99Å; I26-F79 HydrophobicContact CG2-CZ 4.14Å; Q29-F79 HydrophobicContact CG-CD2 4.49Å; L30-F79 HydrophobicContact CD2-CB 3.75Å; L30-F79 HydrophobicContact CD2-CD2 3.99Å; L30-F79 HydrophobicContact CD2-CG 3.95Å; Q33-F79 PolarHBondContact NE2-O 2.95Å; Q33-F79 VanDerWaalsContact OE1-N 3.16Å; F34-F79 HydrophobicContact CE2-CB 4.49Å; F34-F79 VanDerWaalsContact CZ-O 3.27Å; F34-F79 WeakPolarHBondContact CZ-O 3.46Å; L63-F79 HydrophobicContact CB-CE1 4.49Å; F71-F79 HydrophobicContact CB-CB 4.18Å; F71-F79 HydrophobicContact CB-CD1 3.7Å; F71-F79 HydrophobicContact CB-CE1 4.49Å; F71-F79 HydrophobicContact CB-CG 4.24Å; F71-F79 HydrophobicContact CD1-CB 4.23Å; F71-F79 HydrophobicContact CG-CB 4.49Å; F72-F79 CarbonylContact O-C 3.6Å; F72-F79 WeakPolarHBondContact O-CA 3.41Å; R73-F79 HydrophobicContact CB-CD1 4.04Å; R73-F79 HydrophobicContact CB-CE1 4.25Å; R73-F79 HydrophobicContact CG-CD1 4.21Å; R73-F79 HydrophobicContact CG-CE1 3.89Å; R73-F79 HydrophobicContact CG-CZ 4.36Å; F79-I132 WeakPolarHBondContact O-CD1 3.37Å | ||
| 80 | Y | 98.7 | Very high | 97 | Very high | 32 Ų | 32 | 42.9 Ų | 42.9 | 13% | 0.125 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.3 | 134.3 | 170.9 | -57.4 | -79.3 | 0 | 0 | 0 | 108.7 | F71 F72 P78 I132 V146 V148 I168 | F71-Y80 CarbonylContact C-O 3.47Å; F71-Y80 WeakPolarHBondContact CA-O 3.45Å; F71-Y80 WeakPolarHBondContact CB-O 3.16Å; F72-Y80 WeakPolarHBondContact CD1-O 3.45Å; F72-Y80 HydrophobicContact CD2-CD2 4.31Å; F72-Y80 AromaticContact CE2-CD2 3.86Å; F72-Y80 HydrophobicContact CE2-CD2 3.86Å; F72-Y80 HydrophobicContact CE2-CG 4.24Å; F72-Y80 VanDerWaalsContact CZ-CB 3.49Å; F72-Y80 HydrophobicContact CZ-CD2 4.16Å; F72-Y80 HydrophobicContact CZ-CG 4.04Å; F72-Y80 PolarHBondContact N-O 2.8Å; F72-Y80 PolarHBondContact O-N 3.12Å; P78-Y80 HydrophobicContact CG-CE1 4.31Å; P78-Y80 HydrophobicContact CG-CE2 4.17Å; P78-Y80 WeakPolarHBondContact CG-OH 3.33Å; P78-Y80 WeakPolarHBondContact O-CE2 3.42Å; Y80-I132 HydrophobicContact CD1-CD1 3.76Å; Y80-I132 HydrophobicContact CD1-CG1 4.01Å; Y80-I132 HydrophobicContact CD1-CG2 3.93Å; Y80-I132 HydrophobicContact CE1-CD1 3.79Å; Y80-I132 HydrophobicContact CE1-CG1 3.83Å; Y80-I132 HydrophobicContact CE1-CG2 4.45Å; Y80-V146 HydrophobicContact CD1-CG1 4.43Å; Y80-V148 HydrophobicContact CD1-CG2 4.46Å; Y80-V148 HydrophobicContact CE1-CG2 3.5Å; Y80-V148 VanDerWaalsContact CE1-CG2 3.5Å; Y80-I168 HydrophobicContact CD1-CG2 4.23Å; Y80-I168 HydrophobicContact CD2-CG2 4.08Å; Y80-I168 HydrophobicContact CE1-CG1 4.3Å; Y80-I168 HydrophobicContact CE1-CG2 4.31Å; Y80-I168 HydrophobicContact CE2-CG2 4.16Å; Y80-I168 HydrophobicContact CG-CG2 4.11Å |
| 81 | P | 98.6 | Very high | 97 | Very high | 0 Ų | 0 | 47.3 Ų | 47.3 | 0% | 0 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -68.1 | 146.1 | 174.2 | 29 | -34 | 0 | 0 | 0 | 110.3 | F71 L85 I92 L93 | F71-P81 HydrophobicContact CD1-CB 4.03Å; F71-P81 HydrophobicContact CE1-CB 3.84Å; P81-L85 HydrophobicContact CB-CD2 4.24Å; P81-I92 HydrophobicContact CB-CG2 4.38Å; P81-I92 HydrophobicContact CG-CG2 4.16Å; P81-L93 HydrophobicContact CG-CD1 3.66Å; P81-L93 HydrophobicContact CG-CD2 4.21Å; P81-L93 HydrophobicContact CG-CG 4Å |
| 82 | T | 98.6 | Very high | 96.9 | Very high | 5 Ų | 5 | 47.8 Ų | 47.8 | 3% | 0.031 | 23% | 0.225 | C | C | . | . | trans | -68.7 | 154 | 166.4 | 68.7 | 0 | 0 | 0 | 0 | 110 | L69 L70 F72 R84 L85 L86 L175 | L69-T82 HydrophobicContact CB-CG2 3.9Å; L69-T82 WeakPolarHBondContact O-CG2 3.29Å; L69-T82 PolarHBondContact O-OG1 2.96Å; L70-T82 PolarHBondContact O-N 3.23Å; F72-T82 HydrophobicContact CD1-CG2 4.37Å; T82-R84 PolarHBondContact O-N 2.8Å; T82-L85 PolarHBondContact O-N 2.81Å; T82-L85 VanDerWaalsContact O-N 3.16Å; T82-L85 PolarHBondContact OG1-N 2.81Å; T82-L86 WeakPolarHBondContact O-CB 3.26Å; T82-L86 PolarHBondContact O-N 2.78Å; T82-L175 HydrophobicContact CG2-CD2 4.3Å | ||
| 83 | L | 98.5 | Very high | 96.9 | Very high | 0 Ų | 0 | 47.5 Ų | 47.5 | 0% | 0 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -60.6 | -32.7 | 176.9 | -79.3 | 164.4 | 0 | 0 | 0 | 112.2 | L86 H87 A143 V146 H169 L171 W176 | L83-L86 HydrophobicContact CD2-CD2 4.43Å; L83-L86 PolarHBondContact O-N 2.95Å; L83-H87 WeakPolarHBondContact O-CB 3.01Å; L83-H87 PolarHBondContact O-CD2 2.9Å; L83-H87 PolarHBondContact O-N 2.93Å; L83-A143 HydrophobicContact CD2-CB 3.94Å; L83-V146 HydrophobicContact CD2-CG2 4.05Å; L83-V146 HydrophobicContact CG-CG2 4.31Å; L83-H169 PolarHBondContact N-CD2 2.73Å; L83-H169 PolarHBondContact N-NE2 3.18Å; L83-L171 HydrophobicContact CB-CD2 4.29Å; L83-L171 HydrophobicContact CD1-CD2 3.88Å; L83-L171 HydrophobicContact CD1-CG 3.97Å; L83-L171 VanDerWaalsContact CD1-N 3.29Å; L83-W176 HydrophobicContact CB-CE3 3.92Å; L83-W176 HydrophobicContact CB-CZ3 3.88Å |
| 84 | R | 98.2 | Very high | 97 | Very high | 71 Ų | 71 | 49.2 Ų | 49.2 | 27% | 0.268 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -66.3 | -41.8 | 176.7 | -63.6 | -174.3 | -173.3 | -70.5 | -5 | 111.9 | T82 K88 W176 | T82-R84 PolarHBondContact O-N 2.8Å; R84-K88 PolarHBondContact O-N 2.79Å; R84-W176 HydrophobicContact CG-CE3 3.9Å; R84-W176 HydrophobicContact CG-CH2 4.17Å; R84-W176 HydrophobicContact CG-CZ3 3.49Å; R84-W176 VanDerWaalsContact CG-CZ3 3.49Å; R84-W176 PolarHBondContact NH2-O 3.02Å |
| 85 | L | 98.5 | Very high | 97.2 | Very high | 3 Ų | 3 | 49 Ų | 49 | 2% | 0.016 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -64.6 | -46.6 | 173.8 | -178.7 | 68.4 | 0 | 0 | 0 | 110.4 | I44 L70 F71 P81 T82 H87 K88 Y89 I92 | I44-L85 HydrophobicContact CD1-CD1 4.21Å; I44-L85 HydrophobicContact CD1-CD2 4.44Å; I44-L85 HydrophobicContact CG2-CD1 4.07Å; L70-L85 HydrophobicContact CB-CD2 4.32Å; L70-L85 HydrophobicContact CD2-CD1 4.25Å; L70-L85 WeakPolarHBondContact O-CD2 3.27Å; F71-L85 HydrophobicContact CD1-CD2 4.49Å; F71-L85 HydrophobicContact CD2-CD2 3.97Å; F71-L85 HydrophobicContact CE1-CD2 4.01Å; F71-L85 HydrophobicContact CE2-CD2 3.42Å; F71-L85 VanDerWaalsContact CE2-CD2 3.42Å; F71-L85 HydrophobicContact CG-CD2 4.47Å; F71-L85 HydrophobicContact CZ-CD2 3.44Å; F71-L85 VanDerWaalsContact CZ-CD2 3.44Å; P81-L85 HydrophobicContact CB-CD2 4.24Å; T82-L85 PolarHBondContact O-N 2.81Å; T82-L85 VanDerWaalsContact O-N 3.16Å; T82-L85 PolarHBondContact OG1-N 2.81Å; L85-H87 VanDerWaalsContact C-N 3.31Å; L85-H87 PolarHBondContact O-N 3.39Å; L85-K88 PolarHBondContact O-N 2.8Å; L85-K88 VanDerWaalsContact O-N 3.09Å; L85-Y89 HydrophobicContact CD1-CD2 3.59Å; L85-Y89 HydrophobicContact CD1-CE2 3.85Å; L85-Y89 HydrophobicContact CG-CD2 4.33Å; L85-Y89 PolarHBondContact O-N 2.7Å; L85-I92 HydrophobicContact CD2-CD1 4.09Å; L85-I92 HydrophobicContact CG-CD1 4.05Å |
| 86 | L | 98.6 | Very high | 97.5 | Very high | 3 Ų | 3 | 41.1 Ų | 41.1 | 2% | 0.016 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -63.2 | -34.2 | -179.4 | -173.5 | 63.5 | 0 | 0 | 0 | 112.7 | T82 L83 K88 Y89 P90 I92 L93 A134 A143 V146 | T82-L86 WeakPolarHBondContact O-CB 3.26Å; T82-L86 PolarHBondContact O-N 2.78Å; L83-L86 HydrophobicContact CD2-CD2 4.43Å; L83-L86 PolarHBondContact O-N 2.95Å; L86-K88 VanDerWaalsContact C-N 3.32Å; L86-K88 PolarHBondContact O-N 2.87Å; L86-Y89 CarbonylContact O-C 3.44Å; L86-Y89 PolarHBondContact O-N 3.13Å; L86-P90 WeakPolarHBondContact O-CA 3.44Å; L86-I92 HydrophobicContact CD1-CB 4.16Å; L86-L93 HydrophobicContact CD1-CB 4.15Å; L86-L93 HydrophobicContact CD1-CD1 3.97Å; L86-L93 HydrophobicContact CD1-CG 3.9Å; L86-L93 HydrophobicContact CD2-CD1 3.85Å; L86-A134 HydrophobicContact CD2-CB 3.84Å; L86-A143 HydrophobicContact CD2-CB 3.88Å; L86-V146 HydrophobicContact CD2-CG2 3.82Å |
| 87 | H | 98.4 | Very high | 98.1 | Very high | 43 Ų | 43 | 35 Ų | 35 | 20% | 0.199 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -66.6 | -33.4 | 174.4 | -68.4 | -178.2 | 0 | 0 | 0 | 112.4 | L83 L85 H142 A143 | L83-H87 WeakPolarHBondContact O-CB 3.01Å; L83-H87 PolarHBondContact O-CD2 2.9Å; L83-H87 PolarHBondContact O-N 2.93Å; L85-H87 VanDerWaalsContact C-N 3.31Å; L85-H87 PolarHBondContact O-N 3.39Å; H87-H142 AromaticContact CG-CD2 3.82Å; H87-A143 PolarHBondContact NE2-O 2.9Å |
| 88 | K | 97.9 | Very high | 98.2 | Very high | 117 Ų | 117 | 33.9 Ų | 33.9 | 51% | 0.509 | 17% | 0.169 | S | C | . | . | H | α-helix | trans | -75.6 | -34.2 | 174.1 | -67.7 | 178 | -176.8 | 175.6 | 0 | 112 | E68 R84 L85 L86 | E68-K88 IonicContact OE1-NZ 3.32Å; E68-K88 PolarHBondContact OE1-NZ 2.76Å; E68-K88 IonicContact OE2-NZ 2.7Å; E68-K88 PolarHBondContact OE2-NZ 3.26Å; R84-K88 PolarHBondContact O-N 2.79Å; L85-K88 PolarHBondContact O-N 2.8Å; L85-K88 VanDerWaalsContact O-N 3.09Å; L86-K88 VanDerWaalsContact C-N 3.32Å; L86-K88 PolarHBondContact O-N 2.87Å |
| 89 | Y | 98.2 | Very high | 98 | Very high | 19 Ų | 19 | 33 Ų | 33 | 8% | 0.075 | 16% | 0.161 | C | C | . | . | trans | -133 | 71.1 | -175.2 | -55.1 | -75.7 | 0 | 0 | 0 | 110.9 | W40 Q43 I44 L85 L86 F91 I92 | W40-Y89 HydrophobicContact CB-CE1 4.33Å; W40-Y89 HydrophobicContact CD2-CD1 4.13Å; W40-Y89 AromaticContact CD2-CE1 3.79Å; W40-Y89 HydrophobicContact CD2-CE1 3.79Å; W40-Y89 HydrophobicContact CE3-CD1 4.28Å; W40-Y89 AromaticContact CE3-CE1 3.52Å; W40-Y89 HydrophobicContact CE3-CE1 3.52Å; W40-Y89 HydrophobicContact CG-CD1 4.3Å; W40-Y89 HydrophobicContact CG-CE1 4.15Å; W40-Y89 HydrophobicContact CZ3-CE1 4.08Å; Q43-Y89 VanDerWaalsContact CD-OH 3.24Å; Q43-Y89 PolarHBondContact NE2-OH 3.3Å; I44-Y89 HydrophobicContact CG2-CD2 4.41Å; I44-Y89 HydrophobicContact CG2-CE2 3.49Å; I44-Y89 VanDerWaalsContact CG2-CE2 3.49Å; L85-Y89 HydrophobicContact CD1-CD2 3.59Å; L85-Y89 HydrophobicContact CD1-CE2 3.85Å; L85-Y89 HydrophobicContact CG-CD2 4.33Å; L85-Y89 PolarHBondContact O-N 2.7Å; L86-Y89 CarbonylContact O-C 3.44Å; L86-Y89 PolarHBondContact O-N 3.13Å; Y89-F91 AromaticContact CD1-CE1 3.79Å; Y89-F91 HydrophobicContact CD1-CE1 3.79Å; Y89-F91 AromaticContact CD1-CZ 3.54Å; Y89-F91 HydrophobicContact CD1-CZ 3.54Å; Y89-F91 HydrophobicContact CG-CE1 4.33Å; Y89-F91 HydrophobicContact CG-CZ 4.02Å; Y89-F91 PolarHBondContact O-N 2.82Å; Y89-I92 VanDerWaalsContact O-CG1 3.24Å; Y89-I92 WeakPolarHBondContact O-CG1 3.2Å; Y89-I92 PolarHBondContact O-N 3.22Å | ||
| 90 | P | 97.6 | Very high | 97.6 | Very high | 85 Ų | 85 | 39.1 Ų | 39.1 | 55% | 0.552 | 19% | 0.188 | S | C | * | . | G | 310 helix | trans | -66 | -22.5 | -172.4 | 24.9 | -34.7 | 0 | 0 | 0 | 113.5 | L86 I92 | L86-P90 WeakPolarHBondContact O-CA 3.44Å; P90-I92 PolarHBondContact O-N 2.83Å |
| 91 | F | 97.2 | Very high | 97.3 | Very high | 97 Ų | 97 | 40.1 Ų | 40.1 | 43% | 0.425 | 21% | 0.207 | S | C | . | . | G | 310 helix | trans | -68 | -8.1 | 177.9 | 58 | -101.5 | 0 | 0 | 0 | 114.2 | G36 W40 Y89 L93 | G36-F91 VanDerWaalsContact O-CE2 3.28Å; G36-F91 WeakPolarHBondContact O-CE2 3.39Å; W40-F91 AromaticContact CD1-CE2 3.7Å; W40-F91 AromaticContact CD1-CZ 3.45Å; W40-F91 VanDerWaalsContact CD1-CZ 3.45Å; W40-F91 HydrophobicContact CD2-CZ 4.21Å; W40-F91 AromaticContact CE2-CZ 3.68Å; W40-F91 HydrophobicContact CG-CZ 4.07Å; W40-F91 HydrophobicContact CZ2-CE1 4.43Å; W40-F91 HydrophobicContact CZ2-CZ 4.33Å; W40-F91 AromaticContact NE1-CE2 3.65Å; W40-F91 AromaticContact NE1-CZ 3.18Å; Y89-F91 AromaticContact CD1-CE1 3.79Å; Y89-F91 HydrophobicContact CD1-CE1 3.79Å; Y89-F91 AromaticContact CD1-CZ 3.54Å; Y89-F91 HydrophobicContact CD1-CZ 3.54Å; Y89-F91 HydrophobicContact CG-CE1 4.33Å; Y89-F91 HydrophobicContact CG-CZ 4.02Å; Y89-F91 PolarHBondContact O-N 2.82Å; F91-L93 PolarHBondContact O-N 2.9Å |
| 92 | I | 97.6 | Very high | 97 | Very high | 10 Ų | 10 | 40.9 Ų | 40.9 | 5% | 0.051 | 21% | 0.214 | C | C | . | . | G | 310 helix | trans | -60 | -34.9 | 177.6 | -69.9 | 173.2 | 0 | 0 | 0 | 111.1 | F34 I37 P81 L85 L86 Y89 P90 | F34-I92 HydrophobicContact CB-CG2 3.98Å; F34-I92 HydrophobicContact CD1-CG2 3.81Å; F34-I92 HydrophobicContact CD2-CG2 4.35Å; F34-I92 HydrophobicContact CE1-CG2 4.42Å; F34-I92 HydrophobicContact CG-CG2 3.78Å; I37-I92 HydrophobicContact CD1-CD1 3.54Å; I37-I92 HydrophobicContact CD1-CG1 3.77Å; I37-I92 HydrophobicContact CG1-CD1 4.43Å; P81-I92 HydrophobicContact CB-CG2 4.38Å; P81-I92 HydrophobicContact CG-CG2 4.16Å; L85-I92 HydrophobicContact CD2-CD1 4.09Å; L85-I92 HydrophobicContact CG-CD1 4.05Å; L86-I92 HydrophobicContact CD1-CB 4.16Å; Y89-I92 VanDerWaalsContact O-CG1 3.24Å; Y89-I92 WeakPolarHBondContact O-CG1 3.2Å; Y89-I92 PolarHBondContact O-N 3.22Å; P90-I92 PolarHBondContact O-N 2.83Å |
| 93 | L | 98.5 | Very high | 96.8 | Very high | 10 Ų | 10 | 42 Ų | 42 | 5% | 0.052 | 22% | 0.22 | C | C | . | . | S | Bend | trans | -123.9 | 144.8 | -175.2 | -59.6 | -179.1 | 0 | 0 | 0 | 111.6 | F34 P81 L86 F91 I132 A134 V146 | F34-L93 HydrophobicContact CD1-CD2 3.77Å; F34-L93 HydrophobicContact CE1-CD2 3.4Å; F34-L93 HydrophobicContact CZ-CD2 4.34Å; P81-L93 HydrophobicContact CG-CD1 3.66Å; P81-L93 HydrophobicContact CG-CD2 4.21Å; P81-L93 HydrophobicContact CG-CG 4Å; L86-L93 HydrophobicContact CD1-CB 4.15Å; L86-L93 HydrophobicContact CD1-CD1 3.97Å; L86-L93 HydrophobicContact CD1-CG 3.9Å; L86-L93 HydrophobicContact CD2-CD1 3.85Å; F91-L93 PolarHBondContact O-N 2.9Å; L93-I132 HydrophobicContact CD1-CG2 3.96Å; L93-I132 HydrophobicContact CD2-CB 4.07Å; L93-I132 HydrophobicContact CD2-CG2 3.68Å; L93-A134 HydrophobicContact CB-CB 4.22Å; L93-A134 HydrophobicContact CD1-CB 4.41Å; L93-V146 HydrophobicContact CD1-CG1 4.07Å; L93-V146 HydrophobicContact CD1-CG2 4.36Å |
| 94 | P | 98.4 | Very high | 96.6 | Very high | 65 Ų | 65 | 49.5 Ų | 49.5 | 42% | 0.422 | 25% | 0.252 | S | S | . | . | trans | -60.2 | 159.2 | 155.7 | 28 | -32.1 | 0 | 0 | 0 | 109.6 | T131 V133 A134 | P94-T131 HydrophobicContact CG-CG2 3.87Å; P94-V133 HydrophobicContact CG-CG1 4.16Å; P94-V133 CarbonylContact O-C 3.58Å; P94-V133 WeakPolarHBondContact O-CA 3.13Å; P94-A134 PolarHBondContact O-N 2.85Å | ||
| 95 | H | 98.4 | Very high | 96.5 | Very high | 72 Ų | 72 | 52.1 Ų | 52.1 | 33% | 0.333 | 27% | 0.266 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.5 | 157.1 | -176.9 | 77.5 | -88.3 | 0 | 0 | 0 | 112.6 | Y125 A134 M136 | H95-Y125 AromaticContact CD2-CE2 3.61Å; H95-Y125 AromaticContact CE1-CE2 3.92Å; H95-Y125 AromaticContact NE2-CE2 3.21Å; H95-Y125 WeakPolarHBondContact NE2-CE2 3.05Å; H95-Y125 AromaticContact NE2-CZ 3.54Å; H95-Y125 PolarHBondContact NE2-OH 2.99Å; H95-Y125 WeakPolarHBondContact O-CD2 3.42Å; H95-A134 CarbonylContact C-O 3.57Å; H95-A134 WeakPolarHBondContact CA-O 3.24Å; H95-A134 HydrophobicContact CB-CB 3.94Å; H95-A134 WeakPolarHBondContact CB-O 3.16Å; H95-M136 HydrophobicContact CB-CG 3.79Å; H95-M136 HydrophobicContact CB-SD 4.47Å |
| 96 | Q | 98.7 | Very high | 96.4 | Very high | 1 Ų | 1 | 52.1 Ų | 52.1 | 1% | 0.005 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.2 | 149.5 | 167.7 | -55.5 | -60.6 | -11.6 | 0 | 0 | 108 | L117 Y125 V133 A134 I135 M136 M149 I165 | Q96-L117 HydrophobicContact CB-CD2 4.07Å; Q96-Y125 PolarHBondContact NE2-O 2.81Å; Q96-V133 HydrophobicContact CG-CB 4.37Å; Q96-V133 HydrophobicContact CG-CG1 4.42Å; Q96-V133 HydrophobicContact CG-CG2 4.39Å; Q96-A134 PolarHBondContact N-O 3Å; Q96-I135 HydrophobicContact CB-CD1 4.2Å; Q96-M136 PolarHBondContact O-N 3.19Å; Q96-M149 HydrophobicContact CG-SD 4.26Å; Q96-I165 HydrophobicContact CB-CD1 4.08Å; Q96-I165 HydrophobicContact CG-CD1 3.85Å |
| 97 | Q | 98.5 | Very high | 96.3 | Very high | 27 Ų | 27 | 54.6 Ų | 54.6 | 13% | 0.126 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.2 | 124.1 | 175.5 | -173.3 | -177.5 | -65.9 | 0 | 0 | 109.9 | G121 A122 K123 M136 | Q97-G121 PolarHBondContact NE2-O 3.02Å; Q97-A122 CarbonylContact O-C 3.39Å; Q97-A122 VanDerWaalsContact O-CA 3.24Å; Q97-A122 WeakPolarHBondContact O-CA 3.39Å; Q97-A122 WeakPolarHBondContact O-CB 3.24Å; Q97-K123 HydrophobicContact CB-CB 3.84Å; Q97-K123 HydrophobicContact CB-CG 4.3Å; Q97-K123 PolarHBondContact N-O 3.37Å; Q97-K123 PolarHBondContact O-N 3.42Å; Q97-M136 WeakPolarHBondContact CA-O 3.29Å; Q97-M136 HydrophobicContact CB-CB 4.39Å; Q97-M136 HydrophobicContact CG-CB 4.45Å |
| 98 | V | 97.5 | Very high | 96.2 | Very high | 0 Ų | 0 | 56.4 Ų | 56.4 | 0% | 0 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.5 | 157.2 | 168.3 | -60.5 | 0 | 0 | 0 | 0 | 111 | A102 I112 L117 I135 M136 A137 E138 | V98-A102 HydrophobicContact CB-CB 3.83Å; V98-A102 HydrophobicContact CG1-CB 4.46Å; V98-A102 HydrophobicContact CG2-CB 3.96Å; V98-I112 HydrophobicContact CG1-CG1 4.19Å; V98-I112 HydrophobicContact CG1-CG2 3.68Å; V98-L117 HydrophobicContact CG1-CD2 3.95Å; V98-I135 HydrophobicContact CG1-CG2 3.9Å; V98-I135 HydrophobicContact CG2-CG2 4.14Å; V98-M136 WeakPolarHBondContact CG2-O 3.47Å; V98-M136 PolarHBondContact N-O 3.42Å; V98-A137 HydrophobicContact CG2-CB 4.35Å; V98-E138 PolarHBondContact O-N 3.11Å; V98-E138 VanDerWaalsContact O-N 3.17Å |
| 99 | D | 92.4 | Very high | 96 | Very high | 33 Ų | 33 | 52.2 Ų | 52.2 | 18% | 0.176 | 29% | 0.286 | C | S | . | . | trans | -69 | 171.5 | 171.6 | 68 | 46.8 | 0 | 0 | 0 | 113.4 | G101 A102 S119 | D99-G101 VanDerWaalsContact C-N 3.28Å; D99-G101 PolarHBondContact O-N 3.32Å; D99-G101 VanDerWaalsContact OD1-CA 3.25Å; D99-G101 WeakPolarHBondContact OD1-CA 3.3Å; D99-G101 PolarHBondContact OD1-N 3.23Å; D99-A102 PolarHBondContact O-N 2.97Å; D99-A102 PolarHBondContact OD1-N 2.99Å; D99-S119 VanDerWaalsContact CB-OG 3.3Å; D99-S119 WeakPolarHBondContact CB-OG 3.45Å; D99-S119 WeakPolarHBondContact OD2-CB 3.34Å; D99-S119 PolarHBondContact OD2-OG 3.47Å | ||
| 100 | K | 91.6 | Very high | 96 | Very high | 129 Ų | 129 | 53.1 Ų | 53.1 | 56% | 0.561 | 30% | 0.298 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.7 | -32.6 | 177.5 | -72.2 | 169.7 | 176.3 | 141.8 | 0 | 114.1 | A102 I103 E138 | K100-A102 VanDerWaalsContact C-N 3.34Å; K100-I103 HydrophobicContact CB-CD1 4.42Å; K100-I103 HydrophobicContact CG-CD1 4.42Å; K100-I103 WeakPolarHBondContact O-CG1 3.5Å; K100-I103 PolarHBondContact O-N 2.81Å; K100-E138 WeakPolarHBondContact CE-OE1 3.32Å; K100-E138 HydrophobicContact CG-CB 4.17Å; K100-E138 IonicContact NZ-OE1 2.74Å; K100-E138 PolarHBondContact NZ-OE1 3.47Å; K100-E138 IonicContact NZ-OE2 3.18Å |
| 101 | G | 91.9 | Very high | 96 | Very high | 52 Ų | 52 | 51.9 Ų | 51.9 | 54% | 0.536 | 29% | 0.287 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -68.2 | -33.8 | -178.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | D99 F105 | D99-G101 VanDerWaalsContact C-N 3.28Å; D99-G101 PolarHBondContact O-N 3.32Å; D99-G101 VanDerWaalsContact OD1-CA 3.25Å; D99-G101 WeakPolarHBondContact OD1-CA 3.3Å; D99-G101 PolarHBondContact OD1-N 3.23Å; G101-F105 WeakPolarHBondContact O-CD2 3.28Å; G101-F105 WeakPolarHBondContact O-CE2 3.39Å |
| 102 | A | 92.4 | Very high | 96.1 | Very high | 17 Ų | 17 | 47.5 Ų | 47.5 | 14% | 0.14 | 27% | 0.268 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -73 | -24.7 | 178.7 | 0 | 0 | 0 | 0 | 0 | 113.8 | V98 D99 K100 K104 F105 V106 | V98-A102 HydrophobicContact CB-CB 3.83Å; V98-A102 HydrophobicContact CG1-CB 4.46Å; V98-A102 HydrophobicContact CG2-CB 3.96Å; D99-A102 PolarHBondContact O-N 2.97Å; D99-A102 PolarHBondContact OD1-N 2.99Å; K100-A102 VanDerWaalsContact C-N 3.34Å; A102-K104 PolarHBondContact O-N 3.43Å; A102-F105 PolarHBondContact O-N 2.96Å; A102-V106 WeakPolarHBondContact O-CG2 3.44Å; A102-V106 PolarHBondContact O-N 3.18Å |
| 103 | I | 93.6 | Very high | 96 | Very high | 29 Ų | 29 | 51.4 Ų | 51.4 | 15% | 0.149 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -50.6 | -51.9 | -171.2 | -65.2 | 177.4 | 0 | 0 | 0 | 112.4 | K100 F105 V106 L107 A137 L144 | K100-I103 HydrophobicContact CB-CD1 4.42Å; K100-I103 HydrophobicContact CG-CD1 4.42Å; K100-I103 WeakPolarHBondContact O-CG1 3.5Å; K100-I103 PolarHBondContact O-N 2.81Å; I103-F105 VanDerWaalsContact C-N 3.26Å; I103-F105 PolarHBondContact O-N 2.86Å; I103-V106 PolarHBondContact O-N 2.8Å; I103-L107 HydrophobicContact CG2-CD1 3.86Å; I103-L107 HydrophobicContact CG2-CG 4.37Å; I103-L107 WeakPolarHBondContact O-CB 3.44Å; I103-L107 VanDerWaalsContact O-CG 3.32Å; I103-L107 WeakPolarHBondContact O-CG 3.16Å; I103-L107 PolarHBondContact O-N 3.25Å; I103-A137 HydrophobicContact CD1-CB 3.66Å; I103-A137 HydrophobicContact CG1-CB 3.63Å; I103-L144 HydrophobicContact CB-CD1 4.4Å; I103-L144 HydrophobicContact CG1-CD1 4.13Å; I103-L144 HydrophobicContact CG2-CD1 3.9Å |
| 104 | K | 95.4 | Very high | 96 | Very high | 157 Ų | 157 | 50.9 Ų | 50.9 | 68% | 0.683 | 28% | 0.284 | S | S | * | . | H | α-helix | trans | -59.3 | -39.7 | -176.9 | 179.6 | -176.4 | 174.3 | -175.6 | 0 | 111.8 | A102 S108 | A102-K104 PolarHBondContact O-N 3.43Å; K104-S108 PolarHBondContact O-N 3.22Å; K104-S108 PolarHBondContact O-OG 3.16Å |
| 105 | F | 96.1 | Very high | 95.9 | Very high | 126 Ų | 126 | 51 Ų | 51 | 55% | 0.553 | 28% | 0.284 | S | S | * | . | H | α-helix | trans | -73.6 | -41.9 | -177.6 | -58.6 | -76.9 | 0 | 0 | 0 | 111.3 | G101 A102 I103 L107 S108 G109 A110 | G101-F105 WeakPolarHBondContact O-CD2 3.28Å; G101-F105 WeakPolarHBondContact O-CE2 3.39Å; A102-F105 PolarHBondContact O-N 2.96Å; I103-F105 VanDerWaalsContact C-N 3.26Å; I103-F105 PolarHBondContact O-N 2.86Å; F105-L107 VanDerWaalsContact C-N 3.31Å; F105-L107 PolarHBondContact O-N 2.85Å; F105-S108 CarbonylContact O-C 3.49Å; F105-S108 WeakPolarHBondContact O-CA 3.44Å; F105-S108 WeakPolarHBondContact O-CB 3.48Å; F105-S108 PolarHBondContact O-N 2.8Å; F105-G109 PolarHBondContact O-N 3.31Å; F105-A110 HydrophobicContact CB-CB 3.94Å; F105-A110 VanDerWaalsContact O-CB 3.24Å; F105-A110 WeakPolarHBondContact O-CB 3.48Å; F105-A110 PolarHBondContact O-N 2.57Å |
| 106 | V | 96.4 | Very high | 95.7 | Very high | 3 Ų | 3 | 48.1 Ų | 48.1 | 2% | 0.018 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -59.3 | -44.2 | 174.3 | 173.9 | 0 | 0 | 0 | 0 | 110.9 | A102 I103 S108 G109 I112 I135 L144 C145 N167 | A102-V106 WeakPolarHBondContact O-CG2 3.44Å; A102-V106 PolarHBondContact O-N 3.18Å; I103-V106 PolarHBondContact O-N 2.8Å; V106-S108 PolarHBondContact O-N 2.71Å; V106-S108 VanDerWaalsContact O-N 3.14Å; V106-G109 PolarHBondContact O-N 2.81Å; V106-I112 HydrophobicContact CG2-CD1 4.37Å; V106-I112 HydrophobicContact CG2-CG1 4.02Å; V106-I135 HydrophobicContact CG1-CG2 4.48Å; V106-L144 HydrophobicContact CG1-CB 4.4Å; V106-C145 HydrophobicContact CG1-CB 3.49Å; V106-C145 VanDerWaalsContact CG1-CB 3.49Å; V106-N167 PolarHBondContact O-ND2 3.12Å; V106-N167 VanDerWaalsContact O-ND2 3.15Å |
| 107 | L | 95.6 | Very high | 95.6 | Very high | 54 Ų | 54 | 48.2 Ų | 48.2 | 28% | 0.283 | 28% | 0.275 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -70 | -2.9 | 175.5 | -66.2 | -178.3 | 0 | 0 | 0 | 114.2 | I103 F105 L144 Y170 L171 | I103-L107 HydrophobicContact CG2-CD1 3.86Å; I103-L107 HydrophobicContact CG2-CG 4.37Å; I103-L107 WeakPolarHBondContact O-CB 3.44Å; I103-L107 VanDerWaalsContact O-CG 3.32Å; I103-L107 WeakPolarHBondContact O-CG 3.16Å; I103-L107 PolarHBondContact O-N 3.25Å; F105-L107 VanDerWaalsContact C-N 3.31Å; F105-L107 PolarHBondContact O-N 2.85Å; L107-L144 HydrophobicContact CD2-CB 4.14Å; L107-L144 HydrophobicContact CD2-CD2 4.41Å; L107-Y170 WeakPolarHBondContact O-CD2 3.4Å; L107-Y170 WeakPolarHBondContact O-CE2 3.46Å; L107-L171 HydrophobicContact CD2-CB 3.69Å; L107-L171 HydrophobicContact CD2-CD1 4.49Å |
| 108 | S | 95.3 | Very high | 95.4 | Very high | 81 Ų | 81 | 49.4 Ų | 49.4 | 57% | 0.566 | 28% | 0.284 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -108.4 | 9 | 172 | -52.6 | 0 | 0 | 0 | 0 | 112.1 | K104 F105 V106 | K104-S108 PolarHBondContact O-N 3.22Å; K104-S108 PolarHBondContact O-OG 3.16Å; F105-S108 CarbonylContact O-C 3.49Å; F105-S108 WeakPolarHBondContact O-CA 3.44Å; F105-S108 WeakPolarHBondContact O-CB 3.48Å; F105-S108 PolarHBondContact O-N 2.8Å; V106-S108 PolarHBondContact O-N 2.71Å; V106-S108 VanDerWaalsContact O-N 3.14Å |
| 109 | G | 95.1 | Very high | 95.3 | Very high | 29 Ų | 29 | 50.7 Ų | 50.7 | 30% | 0.299 | 29% | 0.293 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 82.3 | 11.8 | 179.7 | 0 | 0 | 0 | 0 | 0 | 115.3 | F105 V106 | F105-G109 PolarHBondContact O-N 3.31Å; V106-G109 PolarHBondContact O-N 2.81Å |
| 110 | A | 97.3 | Very high | 95.3 | Very high | 39 Ų | 39 | 56.1 Ų | 56.1 | 32% | 0.322 | 33% | 0.33 | S | S | . | . | P | Polyproline II helix | trans | -69.7 | 145.8 | 175.5 | 0 | 0 | 0 | 0 | 0 | 111.2 | F105 N167 | F105-A110 HydrophobicContact CB-CB 3.94Å; F105-A110 VanDerWaalsContact O-CB 3.24Å; F105-A110 WeakPolarHBondContact O-CB 3.48Å; F105-A110 PolarHBondContact O-N 2.57Å; A110-N167 VanDerWaalsContact O-CB 3.32Å; A110-N167 WeakPolarHBondContact O-CB 3.36Å; A110-N167 PolarHBondContact O-ND2 3.33Å |
| 111 | N | 98.3 | Very high | 95.4 | Very high | 59 Ų | 59 | 50.7 Ų | 50.7 | 32% | 0.316 | 31% | 0.311 | S | S | . | . | P | Polyproline II helix | trans | -64.3 | 154.9 | 167.7 | -69.7 | -26.5 | 0 | 0 | 0 | 110.9 | I163 E166 N167 | N111-I163 HydrophobicContact CB-CD1 4.49Å; N111-I163 HydrophobicContact CB-CG1 4.23Å; N111-I163 HydrophobicContact CB-CG2 3.87Å; N111-E166 WeakPolarHBondContact OD1-CA 3.24Å; N111-N167 PolarHBondContact OD1-N 2.71Å |
| 112 | I | 98.3 | Very high | 95.6 | Very high | 5 Ų | 5 | 49 Ų | 49 | 3% | 0.026 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90 | 116.5 | 177.9 | -58.5 | 74.5 | 0 | 0 | 0 | 107.7 | V98 V106 L117 I135 G164 I165 N167 | V98-I112 HydrophobicContact CG1-CG1 4.19Å; V98-I112 HydrophobicContact CG1-CG2 3.68Å; V106-I112 HydrophobicContact CG2-CD1 4.37Å; V106-I112 HydrophobicContact CG2-CG1 4.02Å; I112-L117 HydrophobicContact CG2-CD1 3.72Å; I112-L117 HydrophobicContact CG2-CD2 3.94Å; I112-L117 HydrophobicContact CG2-CG 3.6Å; I112-I135 HydrophobicContact CD1-CD1 4.43Å; I112-I135 HydrophobicContact CD1-CG1 4.13Å; I112-I135 HydrophobicContact CG1-CG2 4.41Å; I112-G164 PolarHBondContact O-N 3.41Å; I112-I165 HydrophobicContact CB-CB 4.05Å; I112-I165 HydrophobicContact CB-CG1 4.48Å; I112-I165 HydrophobicContact CD1-CB 4.28Å; I112-I165 PolarHBondContact N-O 3.17Å; I112-I165 PolarHBondContact O-N 3.45Å; I112-I165 VanDerWaalsContact O-N 3.1Å; I112-N167 HydrophobicContact CD1-CB 4.41Å |
| 113 | M | 97.3 | Very high | 95.9 | Very high | 91 Ų | 91 | 53.2 Ų | 53.2 | 45% | 0.448 | 31% | 0.307 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83 | 147.4 | 178.3 | -50.7 | -54.3 | -70.4 | 0 | 0 | 109.8 | P115 G116 G162 I163 | M113-P115 VanDerWaalsContact C-CD 3.46Å; M113-P115 VanDerWaalsContact C-N 3.32Å; M113-G116 PolarHBondContact O-N 3.42Å; M113-G162 WeakPolarHBondContact CA-O 3.34Å; M113-G162 WeakPolarHBondContact CE-O 3.46Å; M113-I163 HydrophobicContact CE-CG1 3.99Å; M113-I163 HydrophobicContact SD-CG1 3.76Å |
| 114 | C | 97.6 | Very high | 96.1 | Very high | 0 Ų | 0 | 54 Ų | 54 | 0% | 0 | 31% | 0.311 | C | S | . | . | G | 310 helix | trans | -51.3 | -41.6 | -178.2 | -54.7 | 0 | 0 | 0 | 0 | 114.1 | G116 L117 T118 M151 I156 K161 G162 | C114-G116 PolarHBondContact O-N 3.29Å; C114-G116 VanDerWaalsContact O-N 3.16Å; C114-L117 WeakPolarHBondContact O-CB 3.33Å; C114-L117 PolarHBondContact O-N 3.09Å; C114-T118 PolarHBondContact O-N 2.94Å; C114-T118 PolarHBondContact O-OG1 2.96Å; C114-M151 VanDerWaalsContact SG-SD 3.62Å; C114-I156 HydrophobicContact CB-CG2 3.95Å; C114-K161 PolarHBondContact SG-O 3.26Å; C114-G162 PolarHBondContact N-O 3.01Å; C114-G162 PolarHBondContact SG-O 3.35Å; C114-G162 VanDerWaalsContact SG-O 3.37Å |
| 115 | P | 95.3 | Very high | 96.3 | Very high | 66 Ų | 66 | 50.6 Ų | 50.6 | 43% | 0.429 | 30% | 0.295 | S | S | . | . | G | 310 helix | trans | -59.2 | -27.1 | 176.1 | -27.3 | 36.7 | 0 | 0 | 0 | 115.2 | M113 L117 S119 N160 | M113-P115 VanDerWaalsContact C-CD 3.46Å; M113-P115 VanDerWaalsContact C-N 3.32Å; P115-L117 PolarHBondContact O-N 2.93Å; P115-S119 PolarHBondContact O-N 2.88Å; P115-N160 VanDerWaalsContact CA-OD1 3.22Å; P115-N160 WeakPolarHBondContact CA-OD1 3.34Å |
| 116 | G | 94.6 | Very high | 96.4 | Very high | 13 Ų | 13 | 50.5 Ų | 50.5 | 13% | 0.134 | 31% | 0.307 | C | S | . | . | G | 310 helix | trans | -77.2 | -5.8 | 176 | 0 | 0 | 0 | 0 | 0 | 114 | M113 C114 | M113-G116 PolarHBondContact O-N 3.42Å; C114-G116 PolarHBondContact O-N 3.29Å; C114-G116 VanDerWaalsContact O-N 3.16Å |
| 117 | L | 96.3 | Very high | 96.5 | Very high | 2 Ų | 2 | 51.2 Ų | 51.2 | 1% | 0.01 | 31% | 0.313 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -110.5 | -10.9 | 178.4 | -68.4 | 166 | 0 | 0 | 0 | 113 | Q96 V98 I112 C114 P115 A122 L124 I156 I165 | Q96-L117 HydrophobicContact CB-CD2 4.07Å; V98-L117 HydrophobicContact CG1-CD2 3.95Å; I112-L117 HydrophobicContact CG2-CD1 3.72Å; I112-L117 HydrophobicContact CG2-CD2 3.94Å; I112-L117 HydrophobicContact CG2-CG 3.6Å; C114-L117 WeakPolarHBondContact O-CB 3.33Å; C114-L117 PolarHBondContact O-N 3.09Å; P115-L117 PolarHBondContact O-N 2.93Å; L117-A122 WeakPolarHBondContact O-CB 3.46Å; L117-L124 HydrophobicContact CB-CD1 4.31Å; L117-I156 HydrophobicContact CB-CG2 3.9Å; L117-I156 HydrophobicContact CD1-CD1 3.94Å; L117-I156 HydrophobicContact CD1-CG2 4Å; L117-I165 HydrophobicContact CD1-CD1 3.69Å; L117-I165 HydrophobicContact CD1-CG1 3.87Å; L117-I165 HydrophobicContact CD2-CD1 4.07Å |
| 118 | T | 95.9 | Very high | 96.6 | Very high | 52 Ų | 52 | 51.4 Ų | 51.4 | 32% | 0.319 | 32% | 0.323 | S | S | . | . | S | Bend | trans | -116 | 3 | -177.2 | 57.5 | 0 | 0 | 0 | 0 | 112.8 | C114 I156 N160 | C114-T118 PolarHBondContact O-N 2.94Å; C114-T118 PolarHBondContact O-OG1 2.96Å; T118-I156 HydrophobicContact CG2-CG2 4.21Å; T118-N160 PolarHBondContact OG1-OD1 3.05Å |
| 119 | S | 93.9 | Very high | 96.8 | Very high | 27 Ų | 27 | 51 Ų | 51 | 19% | 0.189 | 32% | 0.316 | C | S | . | . | S | Bend | trans | -76.4 | 162.6 | 177.2 | 66 | 0 | 0 | 0 | 0 | 112 | D99 P115 G121 A122 | D99-S119 VanDerWaalsContact CB-OG 3.3Å; D99-S119 WeakPolarHBondContact CB-OG 3.45Å; D99-S119 WeakPolarHBondContact OD2-CB 3.34Å; D99-S119 PolarHBondContact OD2-OG 3.47Å; P115-S119 PolarHBondContact O-N 2.88Å; S119-G121 PolarHBondContact O-N 2.94Å; S119-G121 VanDerWaalsContact O-N 3.08Å; S119-A122 WeakPolarHBondContact O-CB 3.44Å; S119-A122 PolarHBondContact O-N 3.15Å |
| 120 | P | 93.5 | Very high | 97 | Very high | 147 Ų | 147 | 54.9 Ų | 54.9 | 96% | 0.955 | 33% | 0.33 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.5 | -26 | -175.7 | -27.8 | 35.8 | 0 | 0 | 0 | 115.8 | ||
| 121 | G | 93.6 | Very high | 97 | Very high | 16 Ų | 16 | 55 Ų | 55 | 17% | 0.165 | 33% | 0.327 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -90.6 | -8.9 | 177.2 | 0 | 0 | 0 | 0 | 0 | 114 | Q97 S119 | Q97-G121 PolarHBondContact NE2-O 3.02Å; S119-G121 PolarHBondContact O-N 2.94Å; S119-G121 VanDerWaalsContact O-N 3.08Å |
| 122 | A | 97 | Very high | 97 | Very high | 15 Ų | 15 | 53 Ų | 53 | 12% | 0.124 | 32% | 0.317 | C | S | . | . | trans | -84.3 | 157.8 | 177.6 | 0 | 0 | 0 | 0 | 0 | 111.5 | Q97 L117 S119 | Q97-A122 CarbonylContact O-C 3.39Å; Q97-A122 VanDerWaalsContact O-CA 3.24Å; Q97-A122 WeakPolarHBondContact O-CA 3.39Å; Q97-A122 WeakPolarHBondContact O-CB 3.24Å; L117-A122 WeakPolarHBondContact O-CB 3.46Å; S119-A122 WeakPolarHBondContact O-CB 3.44Å; S119-A122 PolarHBondContact O-N 3.15Å | ||
| 123 | K | 98.1 | Very high | 97.1 | Very high | 107 Ų | 107 | 52.8 Ų | 52.8 | 47% | 0.465 | 32% | 0.315 | S | S | . | . | B | Isolated β-bridge | trans | -135.9 | 113.8 | 169.2 | -58 | -179 | 178.8 | 177.4 | 0 | 108.1 | Q97 Y125 | Q97-K123 HydrophobicContact CB-CB 3.84Å; Q97-K123 HydrophobicContact CB-CG 4.3Å; Q97-K123 PolarHBondContact N-O 3.37Å; Q97-K123 PolarHBondContact O-N 3.42Å; K123-Y125 HydrophobicContact CB-CE2 3.71Å; K123-Y125 WeakPolarHBondContact CD-OH 3.35Å |
| 124 | L | 98.2 | Very high | 97.1 | Very high | 44 Ų | 44 | 48.7 Ų | 48.7 | 23% | 0.23 | 30% | 0.296 | C | S | . | . | trans | -100.1 | 123.2 | 177.8 | -174 | 60.4 | 0 | 0 | 0 | 109 | L117 A153 I156 E157 | L117-L124 HydrophobicContact CB-CD1 4.31Å; L124-A153 HydrophobicContact CD1-CB 4.03Å; L124-A153 HydrophobicContact CD2-CB 4.49Å; L124-A153 VanDerWaalsContact CD2-O 3.29Å; L124-A153 WeakPolarHBondContact CD2-O 3.36Å; L124-A153 HydrophobicContact CG-CB 4.06Å; L124-I156 HydrophobicContact CD1-CD1 4.41Å; L124-I156 HydrophobicContact CD1-CG2 4.28Å; L124-I156 HydrophobicContact CD2-CB 3.95Å; L124-I156 HydrophobicContact CD2-CG2 3.58Å; L124-E157 HydrophobicContact CD2-CB 4.11Å | ||
| 125 | Y | 98.5 | Very high | 97.2 | Very high | 86 Ų | 86 | 48.7 Ų | 48.7 | 34% | 0.337 | 30% | 0.296 | S | S | . | . | trans | -111.8 | 154.5 | 178.7 | -57.4 | -85.3 | 0 | 0 | 0 | 110 | H95 Q96 K123 A127 A153 | H95-Y125 AromaticContact CD2-CE2 3.61Å; H95-Y125 AromaticContact CE1-CE2 3.92Å; H95-Y125 AromaticContact NE2-CE2 3.21Å; H95-Y125 WeakPolarHBondContact NE2-CE2 3.05Å; H95-Y125 AromaticContact NE2-CZ 3.54Å; H95-Y125 PolarHBondContact NE2-OH 2.99Å; H95-Y125 WeakPolarHBondContact O-CD2 3.42Å; Q96-Y125 PolarHBondContact NE2-O 2.81Å; K123-Y125 HydrophobicContact CB-CE2 3.71Å; K123-Y125 WeakPolarHBondContact CD-OH 3.35Å; Y125-A127 PolarHBondContact O-N 3.27Å; Y125-A153 WeakPolarHBondContact O-CB 3.15Å | ||
| 126 | P | 98.6 | Very high | 97.3 | Very high | 124 Ų | 124 | 47.2 Ų | 47.2 | 81% | 0.805 | 28% | 0.283 | S | S | * | . | trans | -54.6 | 125.1 | 178.4 | -26.8 | 35.5 | 0 | 0 | 0 | 112.6 | ||||
| 127 | A | 98.4 | Very high | 97.3 | Very high | 18 Ų | 18 | 46.6 Ų | 46.6 | 15% | 0.149 | 28% | 0.277 | C | S | . | . | trans | -155.9 | 140.7 | 173 | 0 | 0 | 0 | 0 | 0 | 109.6 | Y125 T131 V133 M149 S152 A153 | Y125-A127 PolarHBondContact O-N 3.27Å; A127-T131 HydrophobicContact CB-CG2 4.39Å; A127-V133 HydrophobicContact CB-CG1 4.38Å; A127-M149 HydrophobicContact CB-CE 4.01Å; A127-M149 HydrophobicContact CB-CG 3.86Å; A127-M149 HydrophobicContact CB-SD 4.01Å; A127-S152 WeakPolarHBondContact O-CA 3.07Å; A127-A153 PolarHBondContact O-N 3.03Å | ||
| 128 | A | 98.6 | Very high | 97.2 | Very high | 59 Ų | 59 | 49.3 Ų | 49.3 | 49% | 0.488 | 29% | 0.29 | S | S | . | . | trans | -84.6 | 162.9 | 177.2 | 0 | 0 | 0 | 0 | 0 | 111 | T131 M149 | A128-T131 PolarHBondContact N-OG1 2.87Å; A128-T131 WeakPolarHBondContact O-CB 3.32Å; A128-T131 PolarHBondContact O-N 2.84Å; A128-T131 PolarHBondContact O-OG1 3.31Å; A128-M149 WeakPolarHBondContact O-CB 3.4Å; A128-M149 WeakPolarHBondContact O-CG 2.79Å | ||
| 129 | V | 98.6 | Very high | 97 | Very high | 71 Ų | 71 | 50.4 Ų | 50.4 | 43% | 0.43 | 31% | 0.312 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -53.7 | 145.3 | 168.3 | -178 | 0 | 0 | 0 | 0 | 109.6 | T131 | V129-T131 PolarHBondContact O-N 3.44Å; V129-T131 VanDerWaalsContact O-N 3.12Å |
| 130 | D | 98.2 | Very high | 97 | Very high | 111 Ų | 111 | 55.1 Ų | 55.1 | 59% | 0.594 | 33% | 0.328 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 65.6 | 2.1 | -176.3 | -59.1 | -41.2 | 0 | 0 | 0 | 116.1 | I132 M149 | D130-I132 PolarHBondContact O-N 3.12Å; D130-M149 PolarHBondContact N-O 3.25Å |
| 131 | T | 98.6 | Very high | 97 | Very high | 42 Ų | 42 | 56.6 Ų | 56.6 | 26% | 0.258 | 32% | 0.323 | S | S | . | . | trans | -65.6 | 129.9 | 170.4 | -56.6 | 0 | 0 | 0 | 0 | 110.1 | P94 A127 A128 V129 V133 V148 M149 | P94-T131 HydrophobicContact CG-CG2 3.87Å; A127-T131 HydrophobicContact CB-CG2 4.39Å; A128-T131 PolarHBondContact N-OG1 2.87Å; A128-T131 WeakPolarHBondContact O-CB 3.32Å; A128-T131 PolarHBondContact O-N 2.84Å; A128-T131 PolarHBondContact O-OG1 3.31Å; V129-T131 PolarHBondContact O-N 3.44Å; V129-T131 VanDerWaalsContact O-N 3.12Å; T131-V133 HydrophobicContact CG2-CG1 4.06Å; T131-V148 WeakPolarHBondContact O-CA 3.29Å; T131-M149 WeakPolarHBondContact O-CG 3.34Å; T131-M149 PolarHBondContact O-N 2.69Å | ||
| 132 | I | 98.8 | Very high | 97.2 | Very high | 18 Ų | 18 | 60.4 Ų | 60.4 | 9% | 0.092 | 34% | 0.336 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.7 | 127.6 | 172.6 | -56.3 | 167.7 | 0 | 0 | 0 | 108.5 | F34 P78 F79 Y80 L93 D130 V146 G147 V148 | F34-I132 HydrophobicContact CE1-CD1 4.11Å; F34-I132 HydrophobicContact CZ-CD1 3.91Å; P78-I132 HydrophobicContact CB-CD1 4.29Å; F79-I132 WeakPolarHBondContact O-CD1 3.37Å; Y80-I132 HydrophobicContact CD1-CD1 3.76Å; Y80-I132 HydrophobicContact CD1-CG1 4.01Å; Y80-I132 HydrophobicContact CD1-CG2 3.93Å; Y80-I132 HydrophobicContact CE1-CD1 3.79Å; Y80-I132 HydrophobicContact CE1-CG1 3.83Å; Y80-I132 HydrophobicContact CE1-CG2 4.45Å; L93-I132 HydrophobicContact CD1-CG2 3.96Å; L93-I132 HydrophobicContact CD2-CB 4.07Å; L93-I132 HydrophobicContact CD2-CG2 3.68Å; D130-I132 PolarHBondContact O-N 3.12Å; I132-V146 HydrophobicContact CG2-CG1 3.79Å; I132-G147 WeakPolarHBondContact CA-O 3.24Å; I132-V148 HydrophobicContact CG1-CG2 4.2Å |
| 133 | V | 98.8 | Very high | 97.3 | Very high | 0 Ų | 0 | 59.9 Ų | 59.9 | 0% | 0 | 33% | 0.332 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.1 | 148.2 | -173.4 | -65 | 0 | 0 | 0 | 0 | 112.2 | P94 Q96 A127 T131 I135 G147 M149 I165 | P94-V133 HydrophobicContact CG-CG1 4.16Å; P94-V133 CarbonylContact O-C 3.58Å; P94-V133 WeakPolarHBondContact O-CA 3.13Å; Q96-V133 HydrophobicContact CG-CB 4.37Å; Q96-V133 HydrophobicContact CG-CG1 4.42Å; Q96-V133 HydrophobicContact CG-CG2 4.39Å; A127-V133 HydrophobicContact CB-CG1 4.38Å; T131-V133 HydrophobicContact CG2-CG1 4.06Å; V133-I135 HydrophobicContact CG2-CD1 3.9Å; V133-G147 PolarHBondContact N-O 2.94Å; V133-G147 PolarHBondContact O-N 2.83Å; V133-M149 HydrophobicContact CG1-CG 3.91Å; V133-M149 HydrophobicContact CG1-SD 3.83Å; V133-M149 HydrophobicContact CG2-CG 4.47Å; V133-M149 HydrophobicContact CG2-SD 3.95Å; V133-I165 HydrophobicContact CG2-CD1 4.22Å; V133-I165 HydrophobicContact CG2-CG2 3.85Å |
| 134 | A | 98.8 | Very high | 97.2 | Very high | 4 Ų | 4 | 55.5 Ų | 55.5 | 3% | 0.033 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.3 | 133 | 165.3 | 0 | 0 | 0 | 0 | 0 | 110.2 | L86 L93 P94 H95 Q96 M136 A143 | L86-A134 HydrophobicContact CD2-CB 3.84Å; L93-A134 HydrophobicContact CB-CB 4.22Å; L93-A134 HydrophobicContact CD1-CB 4.41Å; P94-A134 PolarHBondContact O-N 2.85Å; H95-A134 CarbonylContact C-O 3.57Å; H95-A134 WeakPolarHBondContact CA-O 3.24Å; H95-A134 HydrophobicContact CB-CB 3.94Å; H95-A134 WeakPolarHBondContact CB-O 3.16Å; Q96-A134 PolarHBondContact N-O 3Å; A134-M136 HydrophobicContact CB-SD 4.38Å; A134-A143 HydrophobicContact CB-CB 4.18Å |
| 135 | I | 98.7 | Very high | 97.2 | Very high | 0 Ų | 0 | 53.4 Ų | 53.4 | 0% | 0 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.1 | 106.5 | 173.8 | -53.3 | -55.7 | 0 | 0 | 0 | 109.2 | Q96 V98 V106 I112 V133 A143 L144 C145 I165 | Q96-I135 HydrophobicContact CB-CD1 4.2Å; V98-I135 HydrophobicContact CG1-CG2 3.9Å; V98-I135 HydrophobicContact CG2-CG2 4.14Å; V106-I135 HydrophobicContact CG1-CG2 4.48Å; I112-I135 HydrophobicContact CD1-CD1 4.43Å; I112-I135 HydrophobicContact CD1-CG1 4.13Å; I112-I135 HydrophobicContact CG1-CG2 4.41Å; V133-I135 HydrophobicContact CG2-CD1 3.9Å; I135-A143 CarbonylContact O-C 3.42Å; I135-A143 WeakPolarHBondContact O-CA 3.03Å; I135-L144 PolarHBondContact O-N 3.28Å; I135-C145 HydrophobicContact CB-CB 3.93Å; I135-C145 HydrophobicContact CG1-CB 4.14Å; I135-C145 PolarHBondContact N-O 2.79Å; I135-I165 HydrophobicContact CD1-CD1 3.56Å; I135-I165 HydrophobicContact CD1-CG2 4.21Å |
| 136 | M | 98.3 | Very high | 97.3 | Very high | 35 Ų | 35 | 49.3 Ų | 49.3 | 17% | 0.172 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.6 | 164.2 | 173 | -48.8 | -55 | -71.5 | 0 | 0 | 109.7 | H95 Q96 Q97 V98 A134 Q141 A143 | H95-M136 HydrophobicContact CB-CG 3.79Å; H95-M136 HydrophobicContact CB-SD 4.47Å; Q96-M136 PolarHBondContact O-N 3.19Å; Q97-M136 WeakPolarHBondContact CA-O 3.29Å; Q97-M136 HydrophobicContact CB-CB 4.39Å; Q97-M136 HydrophobicContact CG-CB 4.45Å; V98-M136 WeakPolarHBondContact CG2-O 3.47Å; V98-M136 PolarHBondContact N-O 3.42Å; A134-M136 HydrophobicContact CB-SD 4.38Å; M136-Q141 VanDerWaalsContact CE-O 3.23Å; M136-Q141 WeakPolarHBondContact CE-O 3.3Å; M136-A143 VanDerWaalsContact SD-CA 3.6Å; M136-A143 HydrophobicContact SD-CB 3.8Å |
| 137 | A | 94.8 | Very high | 97.3 | Very high | 1 Ų | 1 | 43.4 Ų | 43.4 | 1% | 0.008 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.6 | 149.2 | 171.5 | 0 | 0 | 0 | 0 | 0 | 111.4 | V98 I103 G139 K140 L144 | V98-A137 HydrophobicContact CG2-CB 4.35Å; I103-A137 HydrophobicContact CD1-CB 3.66Å; I103-A137 HydrophobicContact CG1-CB 3.63Å; A137-G139 PolarHBondContact O-N 3.37Å; A137-G139 VanDerWaalsContact O-N 3.16Å; A137-K140 HydrophobicContact CB-CB 4.27Å; A137-K140 HydrophobicContact CB-CG 3.94Å; A137-K140 PolarHBondContact O-N 3.41Å; A137-L144 HydrophobicContact CB-CD1 3.42Å; A137-L144 VanDerWaalsContact CB-CD1 3.42Å; A137-L144 HydrophobicContact CB-CG 4.21Å |
| 138 | E | 92.8 | Very high | 97.3 | Very high | 59 Ų | 59 | 42.8 Ų | 42.8 | 28% | 0.276 | 24% | 0.242 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -51.1 | 120.5 | 175.9 | -168.2 | -156.6 | 145.5 | 0 | 0 | 111.5 | V98 K100 | V98-E138 PolarHBondContact O-N 3.11Å; V98-E138 VanDerWaalsContact O-N 3.17Å; K100-E138 WeakPolarHBondContact CE-OE1 3.32Å; K100-E138 HydrophobicContact CG-CB 4.17Å; K100-E138 IonicContact NZ-OE1 2.74Å; K100-E138 PolarHBondContact NZ-OE1 3.47Å; K100-E138 IonicContact NZ-OE2 3.18Å |
| 139 | G | 92.4 | Very high | 97.3 | Very high | 75 Ų | 75 | 40 Ų | 40 | 77% | 0.773 | 22% | 0.219 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 77.2 | 13.8 | -179.9 | 0 | 0 | 0 | 0 | 0 | 115.2 | A137 | A137-G139 PolarHBondContact O-N 3.37Å; A137-G139 VanDerWaalsContact O-N 3.16Å |
| 140 | K | 94 | Very high | 97.3 | Very high | 125 Ų | 125 | 40.5 Ų | 40.5 | 54% | 0.543 | 22% | 0.216 | S | C | . | . | trans | -116.2 | 142.2 | 174.3 | -54.5 | -59.5 | 174.1 | -171 | 0 | 110.7 | A137 | A137-K140 HydrophobicContact CB-CB 4.27Å; A137-K140 HydrophobicContact CB-CG 3.94Å; A137-K140 PolarHBondContact O-N 3.41Å | ||
| 141 | Q | 93.9 | Very high | 97.3 | Very high | 178 Ų | 178 | 37 Ų | 37 | 83% | 0.832 | 20% | 0.196 | S | C | * | . | S | Bend | trans | -87.4 | -27.6 | -178.6 | -69.8 | -172.6 | -31.7 | 0 | 0 | 113.6 | M136 | M136-Q141 VanDerWaalsContact CE-O 3.23Å; M136-Q141 WeakPolarHBondContact CE-O 3.3Å |
| 142 | H | 97.4 | Very high | 97.3 | Very high | 97 Ų | 97 | 36 Ų | 36 | 45% | 0.449 | 19% | 0.191 | S | C | . | . | S | Bend | trans | -109.2 | 148.9 | -174.8 | -65.2 | 117.5 | 0 | 0 | 0 | 111.5 | H87 | H87-H142 AromaticContact CG-CD2 3.82Š|
| 143 | A | 98.2 | Very high | 97.3 | Very high | 4 Ų | 4 | 35.5 Ų | 35.5 | 3% | 0.033 | 19% | 0.189 | C | C | . | . | trans | -60.3 | 136.8 | 173.9 | 0 | 0 | 0 | 0 | 0 | 110.7 | L83 L86 H87 A134 I135 M136 | L83-A143 HydrophobicContact CD2-CB 3.94Å; L86-A143 HydrophobicContact CD2-CB 3.88Å; H87-A143 PolarHBondContact NE2-O 2.9Å; A134-A143 HydrophobicContact CB-CB 4.18Å; I135-A143 CarbonylContact O-C 3.42Å; I135-A143 WeakPolarHBondContact O-CA 3.03Å; M136-A143 VanDerWaalsContact SD-CA 3.6Å; M136-A143 HydrophobicContact SD-CB 3.8Å | ||
| 144 | L | 97.4 | Very high | 97.3 | Very high | 14 Ų | 14 | 41 Ų | 41 | 7% | 0.073 | 22% | 0.215 | C | C | . | . | S | Bend | trans | -92 | -23.7 | 175.7 | -57.5 | -178 | 0 | 0 | 0 | 112.2 | I103 V106 L107 I135 A137 Y170 L171 | I103-L144 HydrophobicContact CB-CD1 4.4Å; I103-L144 HydrophobicContact CG1-CD1 4.13Å; I103-L144 HydrophobicContact CG2-CD1 3.9Å; V106-L144 HydrophobicContact CG1-CB 4.4Å; L107-L144 HydrophobicContact CD2-CB 4.14Å; L107-L144 HydrophobicContact CD2-CD2 4.41Å; I135-L144 PolarHBondContact O-N 3.28Å; A137-L144 HydrophobicContact CB-CD1 3.42Å; A137-L144 VanDerWaalsContact CB-CD1 3.42Å; A137-L144 HydrophobicContact CB-CG 4.21Å; L144-Y170 CarbonylContact O-C 3.58Å; L144-Y170 WeakPolarHBondContact O-CA 3.39Å; L144-L171 HydrophobicContact CD2-CD1 3.73Å; L144-L171 PolarHBondContact O-N 2.91Å |
| 145 | C | 98.3 | Very high | 97.3 | Very high | 0 Ų | 0 | 44.1 Ų | 44.1 | 0% | 0 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -155 | 150.4 | -173.6 | 163.2 | 0 | 0 | 0 | 0 | 110.5 | V106 I135 N167 H169 | V106-C145 HydrophobicContact CG1-CB 3.49Å; V106-C145 VanDerWaalsContact CG1-CB 3.49Å; I135-C145 HydrophobicContact CB-CB 3.93Å; I135-C145 HydrophobicContact CG1-CB 4.14Å; I135-C145 PolarHBondContact N-O 2.79Å; C145-N167 PolarHBondContact SG-OD1 3.34Å; C145-H169 CarbonylContact C-O 3.58Å; C145-H169 WeakPolarHBondContact CA-O 3.29Å; C145-H169 PolarHBondContact SG-O 3.4Å |
| 146 | V | 98.8 | Very high | 97.2 | Very high | 0 Ų | 0 | 44.1 Ų | 44.1 | 0% | 0 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.9 | 127.3 | 161.9 | 177.7 | 0 | 0 | 0 | 0 | 107 | Y80 L83 L86 L93 I132 I168 H169 | Y80-V146 HydrophobicContact CD1-CG1 4.43Å; L83-V146 HydrophobicContact CD2-CG2 4.05Å; L83-V146 HydrophobicContact CG-CG2 4.31Å; L86-V146 HydrophobicContact CD2-CG2 3.82Å; L93-V146 HydrophobicContact CD1-CG1 4.07Å; L93-V146 HydrophobicContact CD1-CG2 4.36Å; I132-V146 HydrophobicContact CG2-CG1 3.79Å; V146-I168 WeakPolarHBondContact O-CB 3.3Å; V146-I168 PolarHBondContact O-N 3.33Å; V146-H169 HydrophobicContact CB-CB 4.44Å; V146-H169 PolarHBondContact N-O 2.87Å; V146-H169 PolarHBondContact O-N 2.74Å |
| 147 | G | 98.6 | Very high | 97.2 | Very high | 0 Ų | 0 | 49.2 Ų | 49.2 | 0% | 0 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131 | 172.4 | -178.3 | 0 | 0 | 0 | 0 | 0 | 113.1 | I132 V133 E166 | I132-G147 WeakPolarHBondContact CA-O 3.24Å; V133-G147 PolarHBondContact N-O 2.94Å; V133-G147 PolarHBondContact O-N 2.83Å; G147-E166 CarbonylContact C-O 3.58Å; G147-E166 WeakPolarHBondContact CA-O 3.41Å |
| 148 | V | 98.8 | Very high | 97.4 | Very high | 6 Ų | 6 | 56 Ų | 56 | 4% | 0.036 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.8 | 127.3 | 175 | 176.4 | 0 | 0 | 0 | 0 | 109.2 | Y80 T131 I132 K150 I165 E166 I168 | Y80-V148 HydrophobicContact CD1-CG2 4.46Å; Y80-V148 HydrophobicContact CE1-CG2 3.5Å; Y80-V148 VanDerWaalsContact CE1-CG2 3.5Å; T131-V148 WeakPolarHBondContact O-CA 3.29Å; I132-V148 HydrophobicContact CG1-CG2 4.2Å; V148-K150 PolarHBondContact O-N 3.15Å; V148-I165 WeakPolarHBondContact O-CA 3.42Å; V148-I165 VanDerWaalsContact O-CG2 3.29Å; V148-I165 WeakPolarHBondContact O-CG2 3.44Å; V148-E166 PolarHBondContact N-O 2.88Å; V148-E166 PolarHBondContact O-N 3.15Å; V148-I168 HydrophobicContact CB-CG1 4.44Å; V148-I168 HydrophobicContact CG2-CD1 4.23Å; V148-I168 HydrophobicContact CG2-CG1 3.79Å |
| 149 | M | 98.8 | Very high | 97.6 | Very high | 0 Ų | 0 | 57.2 Ų | 57.2 | 0% | 0 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -59.4 | 127.4 | 177.6 | -59.5 | -61.8 | -64.6 | 0 | 0 | 110.3 | Q96 A127 A128 D130 T131 V133 M151 I156 I165 | Q96-M149 HydrophobicContact CG-SD 4.26Å; A127-M149 HydrophobicContact CB-CE 4.01Å; A127-M149 HydrophobicContact CB-CG 3.86Å; A127-M149 HydrophobicContact CB-SD 4.01Å; A128-M149 WeakPolarHBondContact O-CB 3.4Å; A128-M149 WeakPolarHBondContact O-CG 2.79Å; D130-M149 PolarHBondContact N-O 3.25Å; T131-M149 WeakPolarHBondContact O-CG 3.34Å; T131-M149 PolarHBondContact O-N 2.69Å; V133-M149 HydrophobicContact CG1-CG 3.91Å; V133-M149 HydrophobicContact CG1-SD 3.83Å; V133-M149 HydrophobicContact CG2-CG 4.47Å; V133-M149 HydrophobicContact CG2-SD 3.95Å; M149-M151 VanDerWaalsContact CE-O 3.28Å; M149-M151 WeakPolarHBondContact CE-O 3.48Å; M149-I156 HydrophobicContact CE-CD1 3.51Å; M149-I165 HydrophobicContact CE-CG1 4.3Å; M149-I165 HydrophobicContact SD-CD1 3.81Å; M149-I165 HydrophobicContact SD-CG1 3.71Å |
| 150 | K | 98.7 | Very high | 97.8 | Very high | 82 Ų | 82 | 57 Ų | 57 | 36% | 0.357 | 28% | 0.276 | S | S | . | . | S | Bend | trans | -105.6 | -13.7 | 172.6 | -63.6 | -55.1 | -179 | -174.8 | 0 | 113.3 | V148 I163 G164 E166 | V148-K150 PolarHBondContact O-N 3.15Å; K150-I163 HydrophobicContact CB-CG2 4.36Å; K150-I163 HydrophobicContact CG-CG2 4.25Å; K150-G164 PolarHBondContact N-O 2.96Å; K150-E166 HydrophobicContact CD-CB 4.26Å; K150-E166 WeakPolarHBondContact CE-OE2 3.22Å; K150-E166 HydrophobicContact CG-CB 3.89Å; K150-E166 IonicContact NZ-OE2 3.88Å; K150-E166 PolarHBondContact NZ-OE2 3.01Å |
| 151 | M | 98.6 | Very high | 98 | Very high | 36 Ų | 36 | 58.8 Ų | 58.8 | 18% | 0.177 | 28% | 0.284 | C | S | . | . | S | Bend | trans | -133.3 | 150.9 | 169 | -67.6 | -179.8 | 66.6 | 0 | 0 | 107.6 | C114 M149 D155 I156 V159 G164 | C114-M151 VanDerWaalsContact SG-SD 3.62Å; M149-M151 VanDerWaalsContact CE-O 3.28Å; M149-M151 WeakPolarHBondContact CE-O 3.48Å; M151-D155 HydrophobicContact CB-CB 4.42Å; M151-D155 HydrophobicContact CE-CB 3.8Å; M151-I156 HydrophobicContact CB-CD1 4.22Å; M151-I156 HydrophobicContact CB-CG1 3.61Å; M151-V159 HydrophobicContact CE-CB 3.94Å; M151-V159 HydrophobicContact CE-CG1 4.24Å; M151-V159 HydrophobicContact CE-CG2 4.12Å; M151-G164 PolarHBondContact N-O 3.43Å |
| 152 | S | 98.7 | Very high | 98.2 | Very high | 21 Ų | 21 | 51.8 Ų | 51.8 | 15% | 0.147 | 26% | 0.26 | C | S | . | . | trans | -63.6 | 153.5 | 171.4 | 73.3 | 0 | 0 | 0 | 0 | 109.6 | A127 E154 D155 I156 | A127-S152 WeakPolarHBondContact O-CA 3.07Å; S152-E154 PolarHBondContact O-N 3.12Å; S152-D155 PolarHBondContact O-N 2.9Å; S152-D155 VanDerWaalsContact O-N 3.12Å; S152-D155 WeakPolarHBondContact OG-CB 3.5Å; S152-D155 PolarHBondContact OG-N 3.38Å; S152-D155 PolarHBondContact OG-OD2 2.77Å; S152-I156 VanDerWaalsContact O-CG1 3.3Å; S152-I156 WeakPolarHBondContact O-CG1 3.25Å; S152-I156 PolarHBondContact O-N 3.35Å | ||
| 153 | A | 98.6 | Very high | 98.2 | Very high | 8 Ų | 8 | 50.6 Ų | 50.6 | 7% | 0.066 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -55.3 | -37.3 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112 | L124 Y125 A127 I156 E157 | L124-A153 HydrophobicContact CD1-CB 4.03Å; L124-A153 HydrophobicContact CD2-CB 4.49Å; L124-A153 VanDerWaalsContact CD2-O 3.29Å; L124-A153 WeakPolarHBondContact CD2-O 3.36Å; L124-A153 HydrophobicContact CG-CB 4.06Å; Y125-A153 WeakPolarHBondContact O-CB 3.15Å; A127-A153 PolarHBondContact O-N 3.03Å; A153-I156 PolarHBondContact O-N 3.45Å; A153-E157 PolarHBondContact O-N 3.24Å; A153-E157 VanDerWaalsContact O-N 3.11Å |
| 154 | E | 98.4 | Very high | 98.2 | Very high | 116 Ų | 116 | 50.4 Ų | 50.4 | 54% | 0.542 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -63.3 | -45.2 | 176.1 | -175.5 | 180 | 174 | 0 | 0 | 112.3 | S152 E157 K158 | S152-E154 PolarHBondContact O-N 3.12Å; E154-E157 PolarHBondContact O-N 3.3Å; E154-K158 HydrophobicContact CG-CD 4.05Å; E154-K158 WeakPolarHBondContact O-CB 3.42Å; E154-K158 WeakPolarHBondContact O-CG 3.32Å; E154-K158 PolarHBondContact O-N 3Å; E154-K158 WeakPolarHBondContact OE1-CE 3.3Å; E154-K158 IonicContact OE1-NZ 2.71Å; E154-K158 PolarHBondContact OE1-NZ 3.08Å |
| 155 | D | 98.4 | Very high | 98.3 | Very high | 70 Ų | 70 | 49.7 Ų | 49.7 | 37% | 0.374 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -70.3 | -34.2 | 178.2 | -64.7 | -43.3 | 0 | 0 | 0 | 112.1 | M151 S152 E157 K158 V159 | M151-D155 HydrophobicContact CB-CB 4.42Å; M151-D155 HydrophobicContact CE-CB 3.8Å; S152-D155 PolarHBondContact O-N 2.9Å; S152-D155 VanDerWaalsContact O-N 3.12Å; S152-D155 WeakPolarHBondContact OG-CB 3.5Å; S152-D155 PolarHBondContact OG-N 3.38Å; S152-D155 PolarHBondContact OG-OD2 2.77Å; D155-E157 VanDerWaalsContact C-N 3.3Å; D155-E157 PolarHBondContact O-N 3.33Å; D155-K158 PolarHBondContact O-N 2.91Å; D155-V159 WeakPolarHBondContact O-CB 3.47Å; D155-V159 WeakPolarHBondContact O-CG2 3.16Å; D155-V159 PolarHBondContact O-N 2.58Å |
| 156 | I | 98.4 | Very high | 98.3 | Very high | 0 Ų | 0 | 53.2 Ų | 53.2 | 0% | 0 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -58.7 | -46.2 | 174.1 | -71.6 | 170.3 | 0 | 0 | 0 | 109.8 | C114 L117 T118 L124 M149 M151 S152 A153 N160 | C114-I156 HydrophobicContact CB-CG2 3.95Å; L117-I156 HydrophobicContact CB-CG2 3.9Å; L117-I156 HydrophobicContact CD1-CD1 3.94Å; L117-I156 HydrophobicContact CD1-CG2 4Å; T118-I156 HydrophobicContact CG2-CG2 4.21Å; L124-I156 HydrophobicContact CD1-CD1 4.41Å; L124-I156 HydrophobicContact CD1-CG2 4.28Å; L124-I156 HydrophobicContact CD2-CB 3.95Å; L124-I156 HydrophobicContact CD2-CG2 3.58Å; M149-I156 HydrophobicContact CE-CD1 3.51Å; M151-I156 HydrophobicContact CB-CD1 4.22Å; M151-I156 HydrophobicContact CB-CG1 3.61Å; S152-I156 VanDerWaalsContact O-CG1 3.3Å; S152-I156 WeakPolarHBondContact O-CG1 3.25Å; S152-I156 PolarHBondContact O-N 3.35Å; A153-I156 PolarHBondContact O-N 3.45Å; I156-N160 VanDerWaalsContact O-CA 3.29Å; I156-N160 WeakPolarHBondContact O-CA 3.38Å; I156-N160 PolarHBondContact O-N 3Å |
| 157 | E | 97.6 | Very high | 98.3 | Very high | 141 Ų | 141 | 54.1 Ų | 54.1 | 66% | 0.659 | 27% | 0.272 | S | S | * | . | H | α-helix | trans | -66.1 | -46.1 | 179 | -170.1 | 173.5 | -163.3 | 0 | 0 | 112 | L124 A153 E154 D155 | L124-E157 HydrophobicContact CD2-CB 4.11Å; A153-E157 PolarHBondContact O-N 3.24Å; A153-E157 VanDerWaalsContact O-N 3.11Å; E154-E157 PolarHBondContact O-N 3.3Å; D155-E157 VanDerWaalsContact C-N 3.3Å; D155-E157 PolarHBondContact O-N 3.33Å |
| 158 | K | 97.8 | Very high | 98.3 | Very high | 144 Ų | 144 | 55.5 Ų | 55.5 | 63% | 0.626 | 28% | 0.279 | S | S | * | . | H | α-helix | trans | -73.1 | -45.3 | -176.3 | -71.9 | 175.3 | 177.7 | 178.8 | 0 | 113.9 | E154 D155 | E154-K158 HydrophobicContact CG-CD 4.05Å; E154-K158 WeakPolarHBondContact O-CB 3.42Å; E154-K158 WeakPolarHBondContact O-CG 3.32Å; E154-K158 PolarHBondContact O-N 3Å; E154-K158 WeakPolarHBondContact OE1-CE 3.3Å; E154-K158 IonicContact OE1-NZ 2.71Å; E154-K158 PolarHBondContact OE1-NZ 3.08Å; D155-K158 PolarHBondContact O-N 2.91Å |
| 159 | V | 97.5 | Very high | 98.2 | Very high | 85 Ų | 85 | 55.3 Ų | 55.3 | 52% | 0.515 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -86.4 | -36.1 | -173.2 | -179.8 | 0 | 0 | 0 | 0 | 111 | M151 D155 K161 | M151-V159 HydrophobicContact CE-CB 3.94Å; M151-V159 HydrophobicContact CE-CG1 4.24Å; M151-V159 HydrophobicContact CE-CG2 4.12Å; D155-V159 WeakPolarHBondContact O-CB 3.47Å; D155-V159 WeakPolarHBondContact O-CG2 3.16Å; D155-V159 PolarHBondContact O-N 2.58Å; V159-K161 HydrophobicContact CG1-CB 4.22Å; V159-K161 PolarHBondContact O-N 3.45Å |
| 160 | N | 97.1 | Very high | 98.2 | Very high | 69 Ų | 69 | 57.5 Ų | 57.5 | 37% | 0.369 | 29% | 0.287 | S | S | . | . | trans | 49 | 33.4 | 179.1 | -161.3 | 22.7 | 0 | 0 | 0 | 115 | P115 T118 I156 | P115-N160 VanDerWaalsContact CA-OD1 3.22Å; P115-N160 WeakPolarHBondContact CA-OD1 3.34Å; T118-N160 PolarHBondContact OG1-OD1 3.05Å; I156-N160 VanDerWaalsContact O-CA 3.29Å; I156-N160 WeakPolarHBondContact O-CA 3.38Å; I156-N160 PolarHBondContact O-N 3Å | ||
| 161 | K | 97.8 | Very high | 98.1 | Very high | 163 Ų | 163 | 54.7 Ų | 54.7 | 71% | 0.709 | 28% | 0.276 | S | S | * | . | trans | -148.9 | 145.8 | -179.2 | -174.1 | 178.4 | 178.4 | -178.9 | 0 | 110.4 | C114 V159 | C114-K161 PolarHBondContact SG-O 3.26Å; V159-K161 HydrophobicContact CG1-CB 4.22Å; V159-K161 PolarHBondContact O-N 3.45Å | ||
| 162 | G | 97.7 | Very high | 97.8 | Very high | 32 Ų | 32 | 56.7 Ų | 56.7 | 33% | 0.33 | 29% | 0.287 | S | S | . | . | S | Bend | trans | 94.2 | -172.1 | 178.9 | 0 | 0 | 0 | 0 | 0 | 113.2 | M113 C114 G164 | M113-G162 WeakPolarHBondContact CA-O 3.34Å; M113-G162 WeakPolarHBondContact CE-O 3.46Å; C114-G162 PolarHBondContact N-O 3.01Å; C114-G162 PolarHBondContact SG-O 3.35Å; C114-G162 VanDerWaalsContact SG-O 3.37Å; G162-G164 PolarHBondContact O-N 3.14Å |
| 163 | I | 98.6 | Very high | 97.6 | Very high | 71 Ų | 71 | 55.9 Ų | 55.9 | 36% | 0.364 | 28% | 0.281 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.4 | 113.7 | 177.6 | -65.3 | 163 | 0 | 0 | 0 | 107.7 | N111 M113 K150 | N111-I163 HydrophobicContact CB-CD1 4.49Å; N111-I163 HydrophobicContact CB-CG1 4.23Å; N111-I163 HydrophobicContact CB-CG2 3.87Å; M113-I163 HydrophobicContact CE-CG1 3.99Å; M113-I163 HydrophobicContact SD-CG1 3.76Å; K150-I163 HydrophobicContact CB-CG2 4.36Å; K150-I163 HydrophobicContact CG-CG2 4.25Å |
| 164 | G | 98.5 | Very high | 97.4 | Very high | 0 Ų | 0 | 55.7 Ų | 55.7 | 0% | 0 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.9 | -39.3 | 174.3 | 0 | 0 | 0 | 0 | 0 | 111.6 | I112 K150 M151 G162 | I112-G164 PolarHBondContact O-N 3.41Å; K150-G164 PolarHBondContact N-O 2.96Å; M151-G164 PolarHBondContact N-O 3.43Å; G162-G164 PolarHBondContact O-N 3.14Å |
| 165 | I | 98.8 | Very high | 97.2 | Very high | 0 Ų | 0 | 50.8 Ų | 50.8 | 0% | 0 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.7 | 128.5 | -177.4 | -44.1 | 172.8 | 0 | 0 | 0 | 109.6 | Q96 I112 L117 V133 I135 V148 M149 | Q96-I165 HydrophobicContact CB-CD1 4.08Å; Q96-I165 HydrophobicContact CG-CD1 3.85Å; I112-I165 HydrophobicContact CB-CB 4.05Å; I112-I165 HydrophobicContact CB-CG1 4.48Å; I112-I165 HydrophobicContact CD1-CB 4.28Å; I112-I165 PolarHBondContact N-O 3.17Å; I112-I165 PolarHBondContact O-N 3.45Å; I112-I165 VanDerWaalsContact O-N 3.1Å; L117-I165 HydrophobicContact CD1-CD1 3.69Å; L117-I165 HydrophobicContact CD1-CG1 3.87Å; L117-I165 HydrophobicContact CD2-CD1 4.07Å; V133-I165 HydrophobicContact CG2-CD1 4.22Å; V133-I165 HydrophobicContact CG2-CG2 3.85Å; I135-I165 HydrophobicContact CD1-CD1 3.56Å; I135-I165 HydrophobicContact CD1-CG2 4.21Å; V148-I165 WeakPolarHBondContact O-CA 3.42Å; V148-I165 VanDerWaalsContact O-CG2 3.29Å; V148-I165 WeakPolarHBondContact O-CG2 3.44Å; M149-I165 HydrophobicContact CE-CG1 4.3Å; M149-I165 HydrophobicContact SD-CD1 3.81Å; M149-I165 HydrophobicContact SD-CG1 3.71Å |
| 166 | E | 98.6 | Very high | 97 | Very high | 73 Ų | 73 | 49.5 Ų | 49.5 | 34% | 0.341 | 25% | 0.247 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -78.1 | 133 | 170.6 | -177.5 | 177.9 | -149.6 | 0 | 0 | 110.1 | N111 G147 V148 K150 I168 | N111-E166 WeakPolarHBondContact OD1-CA 3.24Å; G147-E166 CarbonylContact C-O 3.58Å; G147-E166 WeakPolarHBondContact CA-O 3.41Å; V148-E166 PolarHBondContact N-O 2.88Å; V148-E166 PolarHBondContact O-N 3.15Å; K150-E166 HydrophobicContact CD-CB 4.26Å; K150-E166 WeakPolarHBondContact CE-OE2 3.22Å; K150-E166 HydrophobicContact CG-CB 3.89Å; K150-E166 IonicContact NZ-OE2 3.88Å; K150-E166 PolarHBondContact NZ-OE2 3.01Å; E166-I168 HydrophobicContact CB-CD1 4.46Å; E166-I168 HydrophobicContact CG-CD1 3.86Å |
| 167 | N | 98.3 | Very high | 96.9 | Very high | 19 Ų | 19 | 54.5 Ų | 54.5 | 10% | 0.102 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.8 | 119.2 | 177.2 | -174.3 | -25.8 | 0 | 0 | 0 | 109.8 | V106 A110 N111 I112 C145 | V106-N167 PolarHBondContact O-ND2 3.12Å; V106-N167 VanDerWaalsContact O-ND2 3.15Å; A110-N167 VanDerWaalsContact O-CB 3.32Å; A110-N167 WeakPolarHBondContact O-CB 3.36Å; A110-N167 PolarHBondContact O-ND2 3.33Å; N111-N167 PolarHBondContact OD1-N 2.71Å; I112-N167 HydrophobicContact CD1-CB 4.41Å; C145-N167 PolarHBondContact SG-OD1 3.34Å |
| 168 | I | 98 | Very high | 96.6 | Very high | 29 Ų | 29 | 47.9 Ų | 47.9 | 15% | 0.149 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.2 | -42 | -176.4 | -55.2 | -58 | 0 | 0 | 0 | 111.8 | F72 Y80 V146 V148 E166 | F72-I168 HydrophobicContact CE2-CG2 3.8Å; F72-I168 HydrophobicContact CZ-CG2 3.77Å; Y80-I168 HydrophobicContact CD1-CG2 4.23Å; Y80-I168 HydrophobicContact CD2-CG2 4.08Å; Y80-I168 HydrophobicContact CE1-CG1 4.3Å; Y80-I168 HydrophobicContact CE1-CG2 4.31Å; Y80-I168 HydrophobicContact CE2-CG2 4.16Å; Y80-I168 HydrophobicContact CG-CG2 4.11Å; V146-I168 WeakPolarHBondContact O-CB 3.3Å; V146-I168 PolarHBondContact O-N 3.33Å; V148-I168 HydrophobicContact CB-CG1 4.44Å; V148-I168 HydrophobicContact CG2-CD1 4.23Å; V148-I168 HydrophobicContact CG2-CG1 3.79Å; E166-I168 HydrophobicContact CB-CD1 4.46Å; E166-I168 HydrophobicContact CG-CD1 3.86Å |
| 169 | H | 97.6 | Very high | 96.1 | Very high | 3 Ų | 3 | 47.6 Ų | 47.6 | 1% | 0.014 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -150.5 | 131.6 | -178.6 | 168.9 | 43.3 | 0 | 0 | 0 | 109.2 | F72 L83 C145 V146 D173 | F72-H169 HydrophobicContact CE1-CB 3.9Å; F72-H169 AromaticContact CE1-CD2 4Å; F72-H169 HydrophobicContact CZ-CB 3.57Å; L83-H169 PolarHBondContact N-CD2 2.73Å; L83-H169 PolarHBondContact N-NE2 3.18Å; C145-H169 CarbonylContact C-O 3.58Å; C145-H169 WeakPolarHBondContact CA-O 3.29Å; C145-H169 PolarHBondContact SG-O 3.4Å; V146-H169 HydrophobicContact CB-CB 4.44Å; V146-H169 PolarHBondContact N-O 2.87Å; V146-H169 PolarHBondContact O-N 2.74Å; H169-D173 WeakPolarHBondContact CA-OD2 3.22Å; H169-D173 IonicContact CE1-OD1 2.73Å; H169-D173 PolarHBondContact CE1-OD1 2.92Å; H169-D173 VanDerWaalsContact CE1-OD1 3.26Å; H169-D173 IonicContact CE1-OD2 2.96Å; H169-D173 IonicContact CG-OD2 3.85Å; H169-D173 VanDerWaalsContact ND1-CG 3.26Å; H169-D173 IonicContact ND1-OD1 3.94Å; H169-D173 PolarHBondContact ND1-OD1 2.93Å; H169-D173 VanDerWaalsContact ND1-OD1 3.13Å; H169-D173 IonicContact ND1-OD2 3.64Å; H169-D173 PolarHBondContact ND1-OD2 3.16Å |
| 170 | Y | 98.1 | Very high | 95.8 | Very high | 45 Ų | 45 | 46.4 Ų | 46.4 | 18% | 0.176 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.5 | 159.2 | -176 | 64.5 | -85.3 | 0 | 0 | 0 | 112.6 | L107 L144 N172 D173 | L107-Y170 WeakPolarHBondContact O-CD2 3.4Å; L107-Y170 WeakPolarHBondContact O-CE2 3.46Å; L144-Y170 CarbonylContact O-C 3.58Å; L144-Y170 WeakPolarHBondContact O-CA 3.39Å; Y170-N172 PolarHBondContact O-N 2.88Å; Y170-D173 HydrophobicContact CD1-CB 3.86Å; Y170-D173 HydrophobicContact CD2-CB 4.01Å; Y170-D173 HydrophobicContact CE1-CB 3.56Å; Y170-D173 HydrophobicContact CE2-CB 3.71Å; Y170-D173 HydrophobicContact CG-CB 4.07Å; Y170-D173 VanDerWaalsContact CZ-CB 3.47Å; Y170-D173 PolarHBondContact N-OD2 3.44Å; Y170-D173 WeakPolarHBondContact O-CB 3.4Å; Y170-D173 PolarHBondContact O-N 3.48Å; Y170-D173 VanDerWaalsContact O-N 3.15Å |
| 171 | L | 96.4 | Very high | 95.5 | Very high | 24 Ų | 24 | 45.7 Ų | 45.7 | 13% | 0.126 | 22% | 0.223 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -60.6 | 135.2 | 178.5 | -70.6 | 176.6 | 0 | 0 | 0 | 111 | L83 L107 L144 D173 W176 | L83-L171 HydrophobicContact CB-CD2 4.29Å; L83-L171 HydrophobicContact CD1-CD2 3.88Å; L83-L171 HydrophobicContact CD1-CG 3.97Å; L83-L171 VanDerWaalsContact CD1-N 3.29Å; L107-L171 HydrophobicContact CD2-CB 3.69Å; L107-L171 HydrophobicContact CD2-CD1 4.49Å; L144-L171 HydrophobicContact CD2-CD1 3.73Å; L144-L171 PolarHBondContact O-N 2.91Å; L171-D173 PolarHBondContact O-N 3.1Å; L171-W176 HydrophobicContact CD2-CD2 3.63Å; L171-W176 HydrophobicContact CD2-CE3 3.42Å; L171-W176 VanDerWaalsContact CD2-CE3 3.42Å; L171-W176 HydrophobicContact CD2-CH2 3.38Å; L171-W176 HydrophobicContact CD2-CZ2 3.61Å; L171-W176 HydrophobicContact CD2-CZ3 3.28Å |
| 172 | N | 93.5 | Very high | 94.4 | Very high | 78 Ų | 78 | 48.9 Ų | 48.9 | 42% | 0.417 | 24% | 0.237 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 68.8 | 13.1 | -176.1 | -49.9 | -44.8 | 0 | 0 | 0 | 115.6 | R5 Y170 W176 H177 | R5-N172 PolarHBondContact NH2-O 2.97Å; Y170-N172 PolarHBondContact O-N 2.88Å; N172-W176 VanDerWaalsContact N-CG 3.34Å; N172-W176 PolarHBondContact OD1-NE1 3.45Å; N172-H177 PolarHBondContact O-CE1 2.84Å; N172-H177 VanDerWaalsContact O-CE1 3.26Å |
| 173 | D | 94.7 | Very high | 94.3 | Very high | 4 Ų | 4 | 49.7 Ų | 49.7 | 2% | 0.021 | 23% | 0.233 | C | C | . | . | S | Bend | trans | -70.5 | 177.3 | 160.1 | 79.3 | 8.9 | 0 | 0 | 0 | 111.6 | H169 Y170 L171 L175 W176 H177 | H169-D173 WeakPolarHBondContact CA-OD2 3.22Å; H169-D173 IonicContact CE1-OD1 2.73Å; H169-D173 PolarHBondContact CE1-OD1 2.92Å; H169-D173 VanDerWaalsContact CE1-OD1 3.26Å; H169-D173 IonicContact CE1-OD2 2.96Å; H169-D173 IonicContact CG-OD2 3.85Å; H169-D173 VanDerWaalsContact ND1-CG 3.26Å; H169-D173 IonicContact ND1-OD1 3.94Å; H169-D173 PolarHBondContact ND1-OD1 2.93Å; H169-D173 VanDerWaalsContact ND1-OD1 3.13Å; H169-D173 IonicContact ND1-OD2 3.64Å; H169-D173 PolarHBondContact ND1-OD2 3.16Å; Y170-D173 HydrophobicContact CD1-CB 3.86Å; Y170-D173 HydrophobicContact CD2-CB 4.01Å; Y170-D173 HydrophobicContact CE1-CB 3.56Å; Y170-D173 HydrophobicContact CE2-CB 3.71Å; Y170-D173 HydrophobicContact CG-CB 4.07Å; Y170-D173 VanDerWaalsContact CZ-CB 3.47Å; Y170-D173 PolarHBondContact N-OD2 3.44Å; Y170-D173 WeakPolarHBondContact O-CB 3.4Å; Y170-D173 PolarHBondContact O-N 3.48Å; Y170-D173 VanDerWaalsContact O-N 3.15Å; L171-D173 PolarHBondContact O-N 3.1Å; D173-L175 VanDerWaalsContact C-N 3.33Å; D173-L175 PolarHBondContact O-N 3.03Å; D173-L175 PolarHBondContact OD1-N 3Å; D173-W176 PolarHBondContact O-N 3.49Å; D173-W176 PolarHBondContact OD1-N 3.37Å; D173-H177 PolarHBondContact O-N 3.43Å; D173-H177 VanDerWaalsContact O-N 3.09Å |
| 174 | G | 92.9 | Very high | 94 | Very high | 4 Ų | 4 | 48.6 Ų | 48.6 | 4% | 0.041 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -61.8 | -38.7 | -177.8 | 0 | 0 | 0 | 0 | 0 | 114 | F6 W176 H177 M178 | F6-G174 VanDerWaalsContact CD1-C 3.49Å; F6-G174 WeakPolarHBondContact O-CA 3.35Å; G174-W176 VanDerWaalsContact C-N 3.35Å; G174-H177 PolarHBondContact O-N 2.83Å; G174-M178 PolarHBondContact O-N 2.81Å |
| 175 | L | 94.5 | Very high | 93.8 | Very high | 12 Ų | 12 | 51.3 Ų | 51.3 | 6% | 0.063 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -70 | -34.9 | 179 | -178 | 60.7 | 0 | 0 | 0 | 111.2 | I62 L69 F72 T82 D173 H177 M178 | I62-L175 HydrophobicContact CD1-CD1 3.59Å; I62-L175 HydrophobicContact CG1-CD1 4.24Å; L69-L175 HydrophobicContact CD1-CD1 3.69Å; F72-L175 HydrophobicContact CB-CD2 4.35Å; F72-L175 HydrophobicContact CD1-CD2 3.48Å; F72-L175 VanDerWaalsContact CD1-CD2 3.48Å; F72-L175 HydrophobicContact CD2-CD2 4.41Å; F72-L175 HydrophobicContact CE1-CD2 3.8Å; F72-L175 HydrophobicContact CG-CD2 3.82Å; F72-L175 HydrophobicContact CZ-CD2 4.4Å; T82-L175 HydrophobicContact CG2-CD2 4.3Å; D173-L175 VanDerWaalsContact C-N 3.33Å; D173-L175 PolarHBondContact O-N 3.03Å; D173-L175 PolarHBondContact OD1-N 3Å; L175-H177 VanDerWaalsContact C-N 3.34Å; L175-M178 HydrophobicContact CD1-SD 4.39Å; L175-M178 CarbonylContact O-C 3.51Å; L175-M178 PolarHBondContact O-N 3.29Å |
| 176 | W | 95.4 | Very high | 93.5 | Very high | 44 Ų | 44 | 54.3 Ų | 54.3 | 17% | 0.167 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -63.6 | -40.6 | 172.5 | 177 | -97.5 | 0 | 0 | 0 | 112.2 | L83 R84 L171 N172 D173 G174 | L83-W176 HydrophobicContact CB-CE3 3.92Å; L83-W176 HydrophobicContact CB-CZ3 3.88Å; R84-W176 HydrophobicContact CG-CE3 3.9Å; R84-W176 HydrophobicContact CG-CH2 4.17Å; R84-W176 HydrophobicContact CG-CZ3 3.49Å; R84-W176 VanDerWaalsContact CG-CZ3 3.49Å; R84-W176 PolarHBondContact NH2-O 3.02Å; L171-W176 HydrophobicContact CD2-CD2 3.63Å; L171-W176 HydrophobicContact CD2-CE3 3.42Å; L171-W176 VanDerWaalsContact CD2-CE3 3.42Å; L171-W176 HydrophobicContact CD2-CH2 3.38Å; L171-W176 HydrophobicContact CD2-CZ2 3.61Å; L171-W176 HydrophobicContact CD2-CZ3 3.28Å; N172-W176 VanDerWaalsContact N-CG 3.34Å; N172-W176 PolarHBondContact OD1-NE1 3.45Å; D173-W176 PolarHBondContact O-N 3.49Å; D173-W176 PolarHBondContact OD1-N 3.37Å; G174-W176 VanDerWaalsContact C-N 3.35Å |
| 177 | H | 94.6 | Very high | 93.2 | Very high | 104 Ų | 104 | 53.1 Ų | 53.1 | 48% | 0.481 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -70.2 | -32 | 176.8 | -69.5 | 160.2 | 0 | 0 | 0 | 113 | R5 N172 D173 G174 L175 K179 | R5-H177 PolarHBondContact NH2-CE1 3.12Å; N172-H177 PolarHBondContact O-CE1 2.84Å; N172-H177 VanDerWaalsContact O-CE1 3.26Å; D173-H177 PolarHBondContact O-N 3.43Å; D173-H177 VanDerWaalsContact O-N 3.09Å; G174-H177 PolarHBondContact O-N 2.83Å; L175-H177 VanDerWaalsContact C-N 3.34Å; H177-K179 PolarHBondContact O-N 2.8Å |
| 178 | M | 92.8 | Very high | 92.8 | Very high | 3 Ų | 3 | 55.4 Ų | 55.4 | 2% | 0.015 | 26% | 0.256 | C | S | . | . | trans | -68.2 | 73.1 | 166.7 | -170.1 | -171.3 | 176.3 | 0 | 0 | 109.5 | F6 E8 V12 V54 I62 L69 G174 L175 T180 Y181 | F6-M178 HydrophobicContact CE1-CB 4.16Å; F6-M178 HydrophobicContact CE1-CG 4.49Å; F6-M178 HydrophobicContact CE1-SD 3.78Å; F6-M178 HydrophobicContact CZ-SD 3.82Å; E8-M178 HydrophobicContact CB-CB 4.35Å; E8-M178 HydrophobicContact CB-CG 3.98Å; E8-M178 HydrophobicContact CB-SD 4.42Å; V12-M178 HydrophobicContact CG2-CE 4.15Å; V54-M178 HydrophobicContact CG1-CE 4.29Å; I62-M178 HydrophobicContact CD1-CE 4.27Å; I62-M178 HydrophobicContact CD1-SD 3.75Å; L69-M178 HydrophobicContact CD1-CB 4.25Å; L69-M178 HydrophobicContact CD1-CE 4.36Å; L69-M178 HydrophobicContact CD1-CG 3.91Å; L69-M178 WeakPolarHBondContact CD1-O 3.2Å; L69-M178 HydrophobicContact CD1-SD 3.91Å; L69-M178 HydrophobicContact CD2-CE 4.4Å; G174-M178 PolarHBondContact O-N 2.81Å; L175-M178 HydrophobicContact CD1-SD 4.39Å; L175-M178 CarbonylContact O-C 3.51Å; L175-M178 PolarHBondContact O-N 3.29Å; M178-T180 VanDerWaalsContact C-N 3.29Å; M178-T180 PolarHBondContact O-N 3.06Å; M178-Y181 HydrophobicContact CE-CD2 3.66Å; M178-Y181 HydrophobicContact CE-CG 4.31Å | ||
| 179 | K | 86.4 | Confident | 92.5 | Very high | 137 Ų | 137 | 57.3 Ų | 57.3 | 60% | 0.596 | 26% | 0.264 | S | S | * | . | trans | -63.3 | -36.6 | -169.3 | -174.3 | -179.6 | 176.7 | -177.4 | 0 | 112.6 | H177 | H177-K179 PolarHBondContact O-N 2.8Š| ||
| 180 | T | 91.3 | Very high | 92.1 | Very high | 60 Ų | 60 | 61.5 Ų | 61.5 | 37% | 0.368 | 28% | 0.283 | S | S | . | . | trans | -151.3 | 151.3 | -176.8 | 53.8 | 0 | 0 | 0 | 0 | 110.1 | G67 M178 | G67-T180 CarbonylContact O-C 3.37Å; G67-T180 WeakPolarHBondContact O-CA 3.33Å; G67-T180 WeakPolarHBondContact O-CB 3.05Å; M178-T180 VanDerWaalsContact C-N 3.29Å; M178-T180 PolarHBondContact O-N 3.06Å | ||
| 181 | Y | 90.6 | Very high | 91.6 | Very high | 54 Ų | 54 | 62.8 Ų | 62.8 | 21% | 0.212 | 29% | 0.292 | C | S | . | . | trans | -102.4 | 126.7 | 167.7 | -173.3 | -104.9 | 0 | 0 | 0 | 110.4 | V12 C15 V54 T64 G67 M178 | V12-Y181 HydrophobicContact CG1-CE2 4.2Å; C15-Y181 HydrophobicContact CB-CE1 3.67Å; C15-Y181 WeakPolarHBondContact CB-OH 3.35Å; C15-Y181 WeakPolarHBondContact SG-CE1 3.46Å; V54-Y181 HydrophobicContact CG1-CD2 4.05Å; V54-Y181 HydrophobicContact CG1-CE2 3.84Å; V54-Y181 HydrophobicContact CG2-CD1 3.57Å; V54-Y181 HydrophobicContact CG2-CD2 3.71Å; V54-Y181 HydrophobicContact CG2-CE1 3.84Å; V54-Y181 HydrophobicContact CG2-CE2 3.97Å; V54-Y181 HydrophobicContact CG2-CG 3.5Å; V54-Y181 VanDerWaalsContact CG2-CG 3.5Å; T64-Y181 HydrophobicContact CG2-CD1 4.15Å; G67-Y181 WeakPolarHBondContact CA-O 3.45Å; G67-Y181 PolarHBondContact O-N 3.4Å; M178-Y181 HydrophobicContact CE-CD2 3.66Å; M178-Y181 HydrophobicContact CE-CG 4.31Å | ||
| 182 | K | 75.9 | Confident | 91.1 | Very high | 230 Ų | 230 | 66.4 Ų | 66.4 | 100% | 1 | 31% | 0.307 | S | S | * | . | trans | -90.7 | 0 | 177.1 | -69 | -175.2 | 179.2 | 179.6 | 0 | 110.7 |
Retrieved 182 of 182 residues in 130.4 ms
(Link to these results)