| 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 | 93.7 | Very high | 97.7 | Very high | 82 Ų | 82 | 13.1 Ų | 13.1 | 40% | 0.404 | 7% | 0.066 | S | C | . | . | 0 | 123.5 | 0 | -81 | 174.4 | -69.9 | 0 | 0 | 106.2 | V77 G78 D154 I155 | M1-V77 HydrophobicContact CB-CG1 4.27Å; M1-V77 HydrophobicContact CE-CG1 3.96Å; M1-V77 HydrophobicContact SD-CG1 3.94Å; M1-G78 VanDerWaalsContact CE-N 3.29Å; M1-D154 PolarHBondContact N-OD1 3.3Å; M1-D154 WeakPolarHBondContact O-CA 3.42Å; M1-I155 HydrophobicContact CB-CB 4.49Å; M1-I155 HydrophobicContact CE-CG2 4.19Å; M1-I155 PolarHBondContact N-O 2.84Å; M1-I155 PolarHBondContact O-N 2.75Å | |||
| 2 | L | 96.7 | Very high | 97.6 | Very high | 45 Ų | 45 | 18.7 Ų | 18.7 | 24% | 0.236 | 10% | 0.104 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.1 | 120.1 | -178 | -64.7 | 173.2 | 0 | 0 | 0 | 110.7 | K30 Q32 H33 L152 M153 D154 | L2-K30 WeakPolarHBondContact CD1-O 3.42Å; L2-Q32 VanDerWaalsContact CA-OE1 3.29Å; L2-Q32 VanDerWaalsContact CB-OE1 3.27Å; L2-Q32 PolarHBondContact O-N 2.82Å; L2-Q32 PolarHBondContact O-OE1 3.17Å; L2-Q32 VanDerWaalsContact O-OE1 3.05Å; L2-H33 PolarHBondContact O-N 3.36Å; L2-L152 HydrophobicContact CB-CD1 4.48Å; L2-L152 HydrophobicContact CD2-CD2 4.16Å; L2-L152 HydrophobicContact CD2-CG 4.31Å; L2-M153 CarbonylContact C-O 3.51Å; L2-M153 WeakPolarHBondContact CA-O 3.4Å; L2-D154 HydrophobicContact CD2-CB 3.77Å |
| 3 | V | 98.1 | Very high | 97.3 | Very high | 0 Ų | 0 | 25.8 Ų | 25.8 | 0% | 0 | 14% | 0.135 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.8 | 120.5 | 177.1 | -175.4 | 0 | 0 | 0 | 0 | 108.6 | V5 H33 L35 V77 L152 M153 I155 | V3-V5 HydrophobicContact CG1-CG2 4.33Å; V3-H33 CarbonylContact C-O 3.6Å; V3-H33 WeakPolarHBondContact CA-O 3.02Å; V3-H33 HydrophobicContact CG1-CB 4.11Å; V3-H33 HydrophobicContact CG2-CB 4.16Å; V3-L35 HydrophobicContact CG1-CD1 3.78Å; V3-L35 HydrophobicContact CG1-CG 3.68Å; V3-V77 HydrophobicContact CG2-CB 4.5Å; V3-V77 HydrophobicContact CG2-CG1 3.81Å; V3-V77 HydrophobicContact CG2-CG2 4.38Å; V3-L152 WeakPolarHBondContact O-CA 3.47Å; V3-M153 HydrophobicContact CB-CB 4.28Å; V3-M153 HydrophobicContact CB-CE 3.83Å; V3-M153 HydrophobicContact CG1-CE 3.69Å; V3-M153 HydrophobicContact CG2-CE 4.48Å; V3-M153 PolarHBondContact N-O 2.72Å; V3-M153 PolarHBondContact O-N 2.87Å; V3-I155 HydrophobicContact CG2-CD1 3.94Å |
| 4 | L | 98.5 | Very high | 97.3 | Very high | 0 Ų | 0 | 27.6 Ų | 27.6 | 0% | 0 | 14% | 0.14 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.6 | 132.1 | 172.9 | 173.1 | 66.6 | 0 | 0 | 0 | 109.5 | L6 L26 I31 H33 I34 L35 L52 F150 L152 | L4-L6 HydrophobicContact CD1-CD2 3.97Å; L4-L6 HydrophobicContact CD2-CD2 3.34Å; L4-L6 HydrophobicContact CG-CD2 3.55Å; L4-L26 HydrophobicContact CD1-CD2 3.64Å; L4-L26 HydrophobicContact CD2-CD2 3.9Å; L4-L26 HydrophobicContact CG-CD2 4.42Å; L4-I31 HydrophobicContact CB-CD1 4.07Å; L4-I31 HydrophobicContact CB-CG2 3.62Å; L4-I31 HydrophobicContact CD2-CD1 3.92Å; L4-I31 HydrophobicContact CG-CD1 4.44Å; L4-H33 PolarHBondContact N-O 3.22Å; L4-I34 HydrophobicContact CB-CG1 4.13Å; L4-I34 HydrophobicContact CD2-CD1 4.11Å; L4-I34 HydrophobicContact CD2-CG1 4.05Å; L4-I34 CarbonylContact O-C 3.13Å; L4-I34 WeakPolarHBondContact O-CA 3.45Å; L4-L35 PolarHBondContact O-N 3.38Å; L4-L52 HydrophobicContact CD2-CD1 4.08Å; L4-F150 HydrophobicContact CD1-CD2 3.56Å; L4-F150 HydrophobicContact CD1-CE2 4.03Å; L4-F150 HydrophobicContact CD1-CG 4.44Å; L4-L152 HydrophobicContact CB-CD1 4.23Å |
| 5 | V | 98.7 | Very high | 97.2 | Very high | 0 Ų | 0 | 27.3 Ų | 27.3 | 0% | 0 | 14% | 0.141 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.5 | 123.1 | 177.2 | -170.5 | 0 | 0 | 0 | 0 | 108.9 | V3 L35 I112 P132 V151 M153 | V3-V5 HydrophobicContact CG1-CG2 4.33Å; V5-L35 WeakPolarHBondContact CA-O 3.26Å; V5-L35 HydrophobicContact CG2-CB 4.42Å; V5-I112 HydrophobicContact CG1-CD1 3.91Å; V5-I112 HydrophobicContact CG1-CG2 3.49Å; V5-I112 VanDerWaalsContact CG1-CG2 3.49Å; V5-I112 HydrophobicContact CG2-CD1 3.88Å; V5-P132 HydrophobicContact CB-CB 4.48Å; V5-P132 HydrophobicContact CG1-CB 4.02Å; V5-P132 HydrophobicContact CG1-CG 3.99Å; V5-P132 WeakPolarHBondContact O-CB 3.26Å; V5-V151 HydrophobicContact CB-CB 4.09Å; V5-V151 HydrophobicContact CB-CG1 4.29Å; V5-V151 HydrophobicContact CG2-CG1 4.41Å; V5-V151 PolarHBondContact N-O 3.46Å; V5-V151 PolarHBondContact O-N 3.21Å; V5-M153 HydrophobicContact CG2-CE 3.59Å; V5-M153 HydrophobicContact CG2-CG 4.31Å; V5-M153 HydrophobicContact CG2-SD 4.26Å |
| 6 | L | 98.7 | Very high | 97.1 | Very high | 0 Ų | 0 | 34.4 Ų | 34.4 | 0% | 0 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -159.1 | 165.4 | -178.4 | 65.5 | 98.5 | 0 | 0 | 0 | 111.3 | L4 L9 L35 C36 T37 L49 A135 F150 | L4-L6 HydrophobicContact CD1-CD2 3.97Å; L4-L6 HydrophobicContact CD2-CD2 3.34Å; L4-L6 HydrophobicContact CG-CD2 3.55Å; L6-L9 HydrophobicContact CD1-CD1 3.54Å; L6-L35 PolarHBondContact N-O 2.72Å; L6-C36 CarbonylContact O-C 3.58Å; L6-C36 WeakPolarHBondContact O-CA 3.46Å; L6-C36 PolarHBondContact O-SG 3.19Å; L6-C36 VanDerWaalsContact O-SG 3.36Å; L6-T37 PolarHBondContact O-N 2.88Å; L6-L49 HydrophobicContact CD1-CD1 4.32Å; L6-L49 HydrophobicContact CD1-CD2 3.97Å; L6-L49 HydrophobicContact CD2-CD2 3.83Å; L6-L49 HydrophobicContact CG-CD2 4.47Å; L6-A135 HydrophobicContact CB-CB 4.18Å; L6-F150 HydrophobicContact CB-CB 4.09Å |
| 7 | G | 98.4 | Very high | 97 | Very high | 0 Ų | 0 | 35.1 Ų | 35.1 | 0% | 0 | 19% | 0.187 | C | C | . | . | trans | 175.4 | -160.1 | 166.9 | 0 | 0 | 0 | 0 | 0 | 110.7 | L9 T37 A135 | G7-L9 WeakPolarHBondContact O-CD1 3.39Å; G7-L9 PolarHBondContact O-N 3.06Å; G7-T37 VanDerWaalsContact CA-OG1 3.3Å; G7-T37 WeakPolarHBondContact CA-OG1 3.11Å; G7-A135 PolarHBondContact O-N 3.24Å; G7-A135 VanDerWaalsContact O-N 3.1Å | ||
| 8 | D | 98.6 | Very high | 96.9 | Very high | 0 Ų | 0 | 33.4 Ų | 33.4 | 0% | 0 | 18% | 0.178 | C | C | . | . | trans | 52.9 | 44.3 | -178 | -66.9 | -54.2 | 0 | 0 | 0 | 111.7 | G38 N39 H86 H115 H117 S134 T136 | D8-G38 PolarHBondContact N-O 3.08Å; D8-N39 PolarHBondContact OD1-ND2 3.3Å; D8-H86 IonicContact OD1-CE1 3.85Å; D8-H86 IonicContact OD1-NE2 3.16Å; D8-H86 PolarHBondContact OD1-NE2 2.84Å; D8-H86 VanDerWaalsContact OD1-NE2 3.11Å; D8-H115 PolarHBondContact OD2-N 3.4Å; D8-H117 IonicContact OD1-CD2 3.76Å; D8-H117 IonicContact OD1-NE2 2.97Å; D8-H117 IonicContact OD2-CD2 2.78Å; D8-S134 WeakPolarHBondContact O-CB 3.23Å; D8-S134 PolarHBondContact O-OG 2.87Å; D8-T136 PolarHBondContact O-OG1 3.17Å | ||
| 9 | L | 98.3 | Very high | 96.9 | Very high | 1 Ų | 1 | 32.8 Ų | 32.8 | 1% | 0.005 | 18% | 0.176 | C | C | . | . | trans | -72 | -42.8 | -177.9 | -90.9 | 65.6 | 0 | 0 | 0 | 111 | L6 G7 I11 N39 L40 A135 T136 | L6-L9 HydrophobicContact CD1-CD1 3.54Å; G7-L9 WeakPolarHBondContact O-CD1 3.39Å; G7-L9 PolarHBondContact O-N 3.06Å; L9-I11 HydrophobicContact CB-CD1 4.23Å; L9-I11 HydrophobicContact CB-CG1 4.17Å; L9-I11 HydrophobicContact CD2-CD1 4.09Å; L9-I11 HydrophobicContact CG-CD1 4.34Å; L9-I11 PolarHBondContact O-N 2.69Å; L9-N39 PolarHBondContact N-O 3.24Å; L9-L40 HydrophobicContact CD1-CD2 4.22Å; L9-L40 HydrophobicContact CD2-CD2 3.8Å; L9-L40 HydrophobicContact CG-CD2 4.4Å; L9-A135 HydrophobicContact CD1-CB 3.87Å; L9-T136 HydrophobicContact CB-CG2 4.24Å; L9-T136 HydrophobicContact CG-CG2 4.08Å; L9-T136 WeakPolarHBondContact O-CG2 3.47Å; L9-T136 PolarHBondContact O-OG1 3.46Å | ||
| 10 | H | 97.8 | Very high | 96.9 | Very high | 0 Ų | 0 | 34.7 Ų | 34.7 | 0% | 0 | 20% | 0.197 | C | C | . | . | trans | 49.9 | 41.7 | -175.8 | -70.3 | -76.2 | 0 | 0 | 0 | 113.9 | P12 H13 R14 C15 N39 F63 H117 A138 | H10-P12 CarbonylContact O-C 3.54Å; H10-H13 PolarHBondContact O-N 2.96Å; H10-H13 VanDerWaalsContact O-N 3.08Å; H10-R14 HydrophobicContact CB-CB 3.73Å; H10-R14 HydrophobicContact CB-CG 3.78Å; H10-R14 PolarHBondContact CE1-NH1 2.8Å; H10-R14 PolarHBondContact NE2-NH1 3.32Å; H10-R14 VanDerWaalsContact NE2-NH1 3.19Å; H10-R14 PolarHBondContact O-N 2.87Å; H10-C15 PolarHBondContact O-N 3.36Å; H10-N39 PolarHBondContact CE1-ND2 3.18Å; H10-N39 PolarHBondContact N-O 3.13Å; H10-N39 PolarHBondContact NE2-ND2 2.96Å; H10-F63 AromaticContact CE1-CD2 3.5Å; H10-F63 VanDerWaalsContact CE1-CD2 3.5Å; H10-F63 WeakPolarHBondContact CE1-CD2 3.48Å; H10-F63 AromaticContact CE1-CG 3.73Å; H10-H117 AromaticContact CD2-CE1 3.62Å; H10-H117 AromaticContact CD2-NE2 3.87Å; H10-H117 AromaticContact NE2-CE1 3.6Å; H10-H117 AromaticContact NE2-NE2 3.46Å; H10-H117 PolarHBondContact NE2-NE2 3.15Å; H10-A138 HydrophobicContact CB-CB 4.01Å | ||
| 11 | I | 97.5 | Very high | 96.8 | Very high | 16 Ų | 16 | 36.7 Ų | 36.7 | 8% | 0.082 | 20% | 0.203 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -94.4 | 123.1 | 177.7 | -60.3 | 171.1 | 0 | 0 | 0 | 109 | L9 C15 L40 C41 T42 T136 | L9-I11 HydrophobicContact CB-CD1 4.23Å; L9-I11 HydrophobicContact CB-CG1 4.17Å; L9-I11 HydrophobicContact CD2-CD1 4.09Å; L9-I11 HydrophobicContact CG-CD1 4.34Å; L9-I11 PolarHBondContact O-N 2.69Å; I11-C15 WeakPolarHBondContact CA-O 3.45Å; I11-C15 HydrophobicContact CG1-CB 4.36Å; I11-L40 VanDerWaalsContact O-O 3.06Å; I11-C41 WeakPolarHBondContact O-CB 3.36Å; I11-T42 WeakPolarHBondContact O-CG2 3.34Å; I11-T42 PolarHBondContact O-OG1 2.91Å; I11-T136 HydrophobicContact CD1-CG2 3.91Å; I11-T136 HydrophobicContact CG1-CG2 4.09Å |
| 12 | P | 96.5 | Very high | 97 | Very high | 80 Ų | 80 | 32.8 Ų | 32.8 | 52% | 0.519 | 18% | 0.184 | S | C | . | . | T | Hydrogen-bonded Turn | cis | -101 | -1.7 | 13.1 | 38.4 | -38.4 | 0 | 0 | 0 | 114.8 | H10 R14 C15 T42 | H10-P12 CarbonylContact O-C 3.54Å; P12-R14 PolarHBondContact O-N 3.16Å; P12-C15 CarbonylContact C-O 3.52Å; P12-C15 WeakPolarHBondContact CA-O 3.17Å; P12-T42 VanDerWaalsContact CD-CG2 3.41Å; P12-T42 HydrophobicContact CG-CG2 4.48Å |
| 13 | H | 93.9 | Very high | 96.9 | Very high | 111 Ų | 111 | 35 Ų | 35 | 51% | 0.514 | 19% | 0.192 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -64.5 | -36.2 | -165.1 | -57.5 | -61.3 | 0 | 0 | 0 | 114.6 | H10 | H10-H13 PolarHBondContact O-N 2.96Å; H10-H13 VanDerWaalsContact O-N 3.08Å |
| 14 | R | 96.5 | Very high | 96.7 | Very high | 52 Ų | 52 | 42.9 Ų | 42.9 | 20% | 0.196 | 23% | 0.226 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -116.1 | -29.8 | -178.4 | -55.9 | -173 | -175.8 | 160.3 | 12.5 | 112.7 | H10 P12 A138 Y139 | H10-R14 HydrophobicContact CB-CB 3.73Å; H10-R14 HydrophobicContact CB-CG 3.78Å; H10-R14 PolarHBondContact CE1-NH1 2.8Å; H10-R14 PolarHBondContact NE2-NH1 3.32Å; H10-R14 VanDerWaalsContact NE2-NH1 3.19Å; H10-R14 PolarHBondContact O-N 2.87Å; P12-R14 PolarHBondContact O-N 3.16Å; R14-A138 HydrophobicContact CB-CB 4.07Å; R14-Y139 HydrophobicContact CB-CD1 4.1Å; R14-Y139 HydrophobicContact CB-CE1 3.76Å; R14-Y139 WeakPolarHBondContact CD-O 3.3Å; R14-Y139 HydrophobicContact CG-CD1 4.1Å; R14-Y139 HydrophobicContact CG-CE1 3.45Å; R14-Y139 VanDerWaalsContact CG-CE1 3.45Å; R14-Y139 PolarHBondContact NH1-O 3.25Å |
| 15 | C | 96.1 | Very high | 96.5 | Very high | 23 Ų | 23 | 46.8 Ų | 46.8 | 16% | 0.155 | 25% | 0.246 | C | C | . | . | trans | -135.5 | 150.7 | -179.3 | -62.3 | 0 | 0 | 0 | 0 | 110.1 | H10 I11 P12 T136 A138 | H10-C15 PolarHBondContact O-N 3.36Å; I11-C15 WeakPolarHBondContact CA-O 3.45Å; I11-C15 HydrophobicContact CG1-CB 4.36Å; P12-C15 CarbonylContact C-O 3.52Å; P12-C15 WeakPolarHBondContact CA-O 3.17Å; C15-T136 HydrophobicContact CB-CG2 4.05Å; C15-A138 VanDerWaalsContact SG-CA 3.6Å | ||
| 16 | N | 95.2 | Very high | 96.3 | Very high | 141 Ų | 141 | 47.2 Ų | 47.2 | 75% | 0.754 | 25% | 0.249 | S | C | * | . | S | Bend | trans | -90 | -26.9 | 178.3 | 63.1 | -2.7 | 0 | 0 | 0 | 113 | ||
| 17 | S | 95.3 | Very high | 95.9 | Very high | 45 Ų | 45 | 49.8 Ų | 49.8 | 32% | 0.315 | 26% | 0.264 | S | S | . | . | S | Bend | trans | -168.4 | 161.8 | -176.6 | 75.4 | 0 | 0 | 0 | 0 | 112.8 | ||
| 18 | L | 96.5 | Very high | 95.6 | Very high | 6 Ų | 6 | 53.8 Ų | 53.8 | 3% | 0.031 | 29% | 0.29 | C | S | . | . | trans | -58.9 | 143.4 | 164.4 | -79.9 | 149.1 | 0 | 0 | 0 | 111.1 | A20 K23 Y48 A135 T136 | L18-A20 PolarHBondContact O-N 3.02Å; L18-K23 HydrophobicContact CB-CD 4.45Å; L18-K23 HydrophobicContact CB-CG 3.91Å; L18-K23 VanDerWaalsContact O-CE 3.28Å; L18-K23 WeakPolarHBondContact O-CE 3.25Å; L18-Y48 HydrophobicContact CD1-CD1 3.94Å; L18-Y48 HydrophobicContact CD1-CE1 3.26Å; L18-A135 HydrophobicContact CD2-CB 3.56Å; L18-T136 HydrophobicContact CG-CG2 4.46Å | ||
| 19 | P | 96.6 | Very high | 95.2 | Very high | 21 Ų | 21 | 57.7 Ų | 57.7 | 14% | 0.136 | 33% | 0.33 | C | S | . | . | trans | -52.9 | 140 | 176 | -25.6 | 32.6 | 0 | 0 | 0 | 112.5 | K21 F22 K23 A135 P148 L167 | P19-K21 PolarHBondContact O-N 3.12Å; P19-F22 HydrophobicContact CB-CB 4.45Å; P19-F22 HydrophobicContact CB-CD2 4.31Å; P19-F22 HydrophobicContact CB-CG 4.27Å; P19-F22 HydrophobicContact CG-CD2 3.93Å; P19-F22 HydrophobicContact CG-CE2 4.31Å; P19-F22 HydrophobicContact CG-CG 4.39Å; P19-F22 WeakPolarHBondContact O-CB 3.31Å; P19-F22 PolarHBondContact O-N 3.15Å; P19-K23 PolarHBondContact O-N 2.8Å; P19-A135 VanDerWaalsContact CD-O 3.27Å; P19-A135 WeakPolarHBondContact CD-O 3.41Å; P19-P148 HydrophobicContact CG-CB 3.87Å; P19-P148 HydrophobicContact CG-CG 4.18Å; P19-L167 HydrophobicContact CB-CD2 3.52Å; P19-L167 HydrophobicContact CG-CD2 3.84Å | ||
| 20 | A | 95.7 | Very high | 95 | Very high | 71 Ų | 71 | 64 Ų | 64 | 59% | 0.587 | 36% | 0.357 | S | S | * | . | H | α-helix | trans | -59.3 | -35.5 | -175.1 | 0 | 0 | 0 | 0 | 0 | 112.6 | L18 F22 K23 K24 | L18-A20 PolarHBondContact O-N 3.02Å; A20-F22 VanDerWaalsContact C-N 3.35Å; A20-K23 PolarHBondContact O-N 2.9Å; A20-K24 WeakPolarHBondContact O-CG 3.37Å; A20-K24 PolarHBondContact O-N 2.87Å; A20-K24 VanDerWaalsContact O-N 3.13Å |
| 21 | K | 96.3 | Very high | 94.9 | Very high | 77 Ų | 77 | 64.8 Ų | 64.8 | 34% | 0.335 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -65.5 | -36 | 175.6 | -65.8 | -158.3 | -177.8 | -176.2 | 0 | 112.2 | P19 K24 L25 L167 D170 D171 V172 | P19-K21 PolarHBondContact O-N 3.12Å; K21-K24 PolarHBondContact O-N 3.35Å; K21-L25 WeakPolarHBondContact O-CG 3.33Å; K21-L25 PolarHBondContact O-N 2.88Å; K21-L167 HydrophobicContact CB-CD1 4.48Å; K21-L167 HydrophobicContact CD-CD1 4.33Å; K21-D170 WeakPolarHBondContact CD-O 3.33Å; K21-D170 WeakPolarHBondContact CE-O 3.5Å; K21-D170 PolarHBondContact NZ-O 3.06Å; K21-D171 IonicContact NZ-OD1 2.67Å; K21-D171 PolarHBondContact NZ-OD1 3.09Å; K21-V172 HydrophobicContact CB-CG2 3.65Å; K21-V172 HydrophobicContact CD-CG2 3.92Å; K21-V172 HydrophobicContact CG-CG2 4.42Å |
| 22 | F | 96.5 | Very high | 94.8 | Very high | 0 Ų | 0 | 68.5 Ų | 68.5 | 0% | 0 | 38% | 0.379 | C | S | . | . | H | α-helix | trans | -69.8 | -43.8 | 174.9 | -70 | -2.8 | 0 | 0 | 0 | 111.8 | P19 A20 K24 L25 L26 P148 F150 L167 V172 | P19-F22 HydrophobicContact CB-CB 4.45Å; P19-F22 HydrophobicContact CB-CD2 4.31Å; P19-F22 HydrophobicContact CB-CG 4.27Å; P19-F22 HydrophobicContact CG-CD2 3.93Å; P19-F22 HydrophobicContact CG-CE2 4.31Å; P19-F22 HydrophobicContact CG-CG 4.39Å; P19-F22 WeakPolarHBondContact O-CB 3.31Å; P19-F22 PolarHBondContact O-N 3.15Å; A20-F22 VanDerWaalsContact C-N 3.35Å; F22-K24 PolarHBondContact O-N 2.84Å; F22-L25 WeakPolarHBondContact O-CB 3.4Å; F22-L25 PolarHBondContact O-N 3.4Å; F22-L26 WeakPolarHBondContact O-CG 3.44Å; F22-L26 PolarHBondContact O-N 2.78Å; F22-P148 HydrophobicContact CE2-CB 3.72Å; F22-P148 HydrophobicContact CZ-CB 4.2Å; F22-P148 WeakPolarHBondContact CZ-O 3.16Å; F22-F150 HydrophobicContact CB-CD1 4.47Å; F22-F150 HydrophobicContact CB-CE1 4.02Å; F22-F150 HydrophobicContact CD1-CD1 4.25Å; F22-F150 AromaticContact CD1-CE1 3.69Å; F22-F150 HydrophobicContact CD1-CE1 3.69Å; F22-F150 AromaticContact CD2-CD1 3.68Å; F22-F150 HydrophobicContact CD2-CD1 3.68Å; F22-F150 AromaticContact CD2-CE1 3.9Å; F22-F150 HydrophobicContact CD2-CE1 3.9Å; F22-F150 HydrophobicContact CE1-CD1 4.35Å; F22-F150 HydrophobicContact CE1-CE1 4.01Å; F22-F150 AromaticContact CE2-CD1 3.79Å; F22-F150 HydrophobicContact CE2-CD1 3.79Å; F22-F150 HydrophobicContact CE2-CE1 4.21Å; F22-F150 AromaticContact CG-CD1 3.91Å; F22-F150 HydrophobicContact CG-CD1 3.91Å; F22-F150 AromaticContact CG-CE1 3.62Å; F22-F150 HydrophobicContact CG-CE1 3.62Å; F22-F150 HydrophobicContact CZ-CD1 4.11Å; F22-F150 HydrophobicContact CZ-CE1 4.25Å; F22-L167 HydrophobicContact CE1-CB 3.89Å; F22-L167 HydrophobicContact CE2-CB 4.49Å; F22-L167 HydrophobicContact CZ-CB 3.72Å; F22-V172 HydrophobicContact CD1-CG2 4.29Å; F22-V172 HydrophobicContact CE1-CG1 4.31Å; F22-V172 HydrophobicContact CE1-CG2 4.16Å |
| 23 | K | 94.4 | Very high | 94.9 | Very high | 91 Ų | 91 | 66.6 Ų | 66.6 | 40% | 0.396 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -56.8 | -35.3 | 174.8 | -70.6 | -179.3 | 174.6 | 178.8 | 0 | 112.9 | L18 P19 A20 L25 | L18-K23 HydrophobicContact CB-CD 4.45Å; L18-K23 HydrophobicContact CB-CG 3.91Å; L18-K23 VanDerWaalsContact O-CE 3.28Å; L18-K23 WeakPolarHBondContact O-CE 3.25Å; P19-K23 PolarHBondContact O-N 2.8Å; A20-K23 PolarHBondContact O-N 2.9Å; K23-L25 VanDerWaalsContact C-N 3.3Å; K23-L25 PolarHBondContact O-N 2.94Å |
| 24 | K | 94.4 | Very high | 95.1 | Very high | 165 Ų | 165 | 61.3 Ų | 61.3 | 72% | 0.717 | 34% | 0.338 | S | S | * | . | H | α-helix | trans | -67.8 | -27.1 | 175.1 | -73.6 | 177.3 | 179.9 | -178.8 | 0 | 113.6 | A20 K21 F22 | A20-K24 WeakPolarHBondContact O-CG 3.37Å; A20-K24 PolarHBondContact O-N 2.87Å; A20-K24 VanDerWaalsContact O-N 3.13Å; K21-K24 PolarHBondContact O-N 3.35Å; F22-K24 PolarHBondContact O-N 2.84Å |
| 25 | L | 94.3 | Very high | 95.2 | Very high | 82 Ų | 82 | 58.9 Ų | 58.9 | 43% | 0.429 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -85.6 | -37.4 | 178.3 | -66 | 170.2 | 0 | 0 | 0 | 111.9 | K21 F22 K23 V27 Y165 V172 | K21-L25 WeakPolarHBondContact O-CG 3.33Å; K21-L25 PolarHBondContact O-N 2.88Å; F22-L25 WeakPolarHBondContact O-CB 3.4Å; F22-L25 PolarHBondContact O-N 3.4Å; K23-L25 VanDerWaalsContact C-N 3.3Å; K23-L25 PolarHBondContact O-N 2.94Å; L25-V27 VanDerWaalsContact C-N 3.34Å; L25-V27 PolarHBondContact O-N 2.82Å; L25-Y165 HydrophobicContact CD1-CD1 3.78Å; L25-Y165 HydrophobicContact CD1-CE1 4.03Å; L25-V172 HydrophobicContact CD1-CG1 4.02Å; L25-V172 HydrophobicContact CD1-CG2 4.49Å |
| 26 | L | 94.3 | Very high | 95.3 | Very high | 10 Ų | 10 | 57.8 Ų | 57.8 | 5% | 0.052 | 32% | 0.322 | C | S | . | . | trans | -81.1 | 78.1 | 179.9 | -62.7 | 177.2 | 0 | 0 | 0 | 110.4 | L4 F22 I31 L52 F150 | L4-L26 HydrophobicContact CD1-CD2 3.64Å; L4-L26 HydrophobicContact CD2-CD2 3.9Å; L4-L26 HydrophobicContact CG-CD2 4.42Å; F22-L26 WeakPolarHBondContact O-CG 3.44Å; F22-L26 PolarHBondContact O-N 2.78Å; L26-I31 HydrophobicContact CD2-CD1 4.14Å; L26-L52 HydrophobicContact CB-CD1 4.04Å; L26-L52 HydrophobicContact CB-CD2 4.19Å; L26-L52 HydrophobicContact CD1-CD1 4.38Å; L26-L52 WeakPolarHBondContact O-CD2 3.29Å; L26-F150 HydrophobicContact CD2-CD2 4.33Å; L26-F150 HydrophobicContact CD2-CE2 3.8Å; L26-F150 HydrophobicContact CD2-CZ 4.02Å; L26-F150 HydrophobicContact CG-CZ 4.34Å | ||
| 27 | V | 91.4 | Very high | 95.5 | Very high | 53 Ų | 53 | 51 Ų | 51 | 32% | 0.321 | 29% | 0.286 | S | S | . | . | trans | -101.9 | 142.5 | 178.3 | -64.4 | 0 | 0 | 0 | 0 | 112 | L25 K30 | L25-V27 VanDerWaalsContact C-N 3.34Å; L25-V27 PolarHBondContact O-N 2.82Å; V27-K30 HydrophobicContact CG2-CD 3.97Å; V27-K30 HydrophobicContact CG2-CG 4.47Å | ||
| 28 | P | 91.4 | Very high | 95.6 | Very high | 85 Ų | 85 | 48.9 Ų | 48.9 | 55% | 0.552 | 27% | 0.271 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.1 | 155 | 176.7 | -25.3 | 34.7 | 0 | 0 | 0 | 113.8 | T51 | P28-T51 WeakPolarHBondContact CB-O 3.34Å; P28-T51 WeakPolarHBondContact CG-O 3.48Å |
| 29 | G | 91.2 | Very high | 95.7 | Very high | 81 Ų | 81 | 48.7 Ų | 48.7 | 84% | 0.835 | 27% | 0.27 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 88.2 | -4.5 | 170.9 | 0 | 0 | 0 | 0 | 0 | 115.8 | ||
| 30 | K | 92.5 | Very high | 95.7 | Very high | 133 Ų | 133 | 47.7 Ų | 47.7 | 58% | 0.578 | 26% | 0.263 | S | S | * | . | S | Bend | trans | -102.1 | -35.3 | 175.3 | -64.3 | -173.7 | -179.6 | 179.9 | 0 | 113.6 | L2 V27 Q32 | L2-K30 WeakPolarHBondContact CD1-O 3.42Å; V27-K30 HydrophobicContact CG2-CD 3.97Å; V27-K30 HydrophobicContact CG2-CG 4.47Å; K30-Q32 PolarHBondContact O-OE1 3.14Å |
| 31 | I | 96.3 | Very high | 95.5 | Very high | 18 Ų | 18 | 44.5 Ų | 44.5 | 9% | 0.092 | 24% | 0.236 | C | C | . | . | trans | -93.9 | 126.1 | -170 | -57.1 | 171.8 | 0 | 0 | 0 | 108.6 | L4 L26 H33 I34 A53 L152 | L4-I31 HydrophobicContact CB-CD1 4.07Å; L4-I31 HydrophobicContact CB-CG2 3.62Å; L4-I31 HydrophobicContact CD2-CD1 3.92Å; L4-I31 HydrophobicContact CG-CD1 4.44Å; L26-I31 HydrophobicContact CD2-CD1 4.14Å; I31-H33 VanDerWaalsContact CG2-O 3.31Å; I31-H33 WeakPolarHBondContact CG2-O 3.32Å; I31-I34 HydrophobicContact CG2-CG1 4.11Å; I31-A53 HydrophobicContact CB-CB 4.45Å; I31-A53 HydrophobicContact CG2-CB 4.2Å; I31-A53 WeakPolarHBondContact O-CB 3.26Å; I31-L152 HydrophobicContact CG1-CD1 4.34Å | ||
| 32 | Q | 95.9 | Very high | 95.2 | Very high | 94 Ų | 94 | 42.4 Ų | 42.4 | 44% | 0.439 | 23% | 0.23 | S | C | . | . | S | Bend | trans | -88.9 | -40.8 | -179.8 | -68.4 | 84.7 | 1.7 | 0 | 0 | 112.2 | L2 K30 | L2-Q32 VanDerWaalsContact CA-OE1 3.29Å; L2-Q32 VanDerWaalsContact CB-OE1 3.27Å; L2-Q32 PolarHBondContact O-N 2.82Å; L2-Q32 PolarHBondContact O-OE1 3.17Å; L2-Q32 VanDerWaalsContact O-OE1 3.05Å; K30-Q32 PolarHBondContact O-OE1 3.14Å |
| 33 | H | 97.4 | Very high | 95.1 | Very high | 39 Ų | 39 | 49.1 Ų | 49.1 | 18% | 0.181 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.4 | 144.5 | -177.4 | -52.8 | -82.6 | 0 | 0 | 0 | 111.1 | L2 V3 L4 I31 D55 | L2-H33 PolarHBondContact O-N 3.36Å; V3-H33 CarbonylContact C-O 3.6Å; V3-H33 WeakPolarHBondContact CA-O 3.02Å; V3-H33 HydrophobicContact CG1-CB 4.11Å; V3-H33 HydrophobicContact CG2-CB 4.16Å; L4-H33 PolarHBondContact N-O 3.22Å; I31-H33 VanDerWaalsContact CG2-O 3.31Å; I31-H33 WeakPolarHBondContact CG2-O 3.32Å; H33-D55 CarbonylContact C-O 3.54Å; H33-D55 WeakPolarHBondContact CA-O 3.22Å; H33-D55 IonicContact CE1-OD2 2.64Å; H33-D55 PolarHBondContact CE1-OD2 3.13Å; H33-D55 VanDerWaalsContact CE1-OD2 3.32Å; H33-D55 IonicContact CG-OD2 3.11Å; H33-D55 IonicContact ND1-OD2 2.74Å; H33-D55 PolarHBondContact ND1-OD2 3.01Å |
| 34 | I | 98.4 | Very high | 95.1 | Very high | 0 Ų | 0 | 52 Ų | 52 | 0% | 0 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.2 | 126 | 169.7 | -61.4 | 176.4 | 0 | 0 | 0 | 108.8 | L4 I31 L49 L52 A53 D55 V56 H57 | L4-I34 HydrophobicContact CB-CG1 4.13Å; L4-I34 HydrophobicContact CD2-CD1 4.11Å; L4-I34 HydrophobicContact CD2-CG1 4.05Å; L4-I34 CarbonylContact O-C 3.13Å; L4-I34 WeakPolarHBondContact O-CA 3.45Å; I31-I34 HydrophobicContact CG2-CG1 4.11Å; I34-L49 HydrophobicContact CD1-CB 4.14Å; I34-L49 HydrophobicContact CD1-CD2 4.4Å; I34-L49 VanDerWaalsContact CD1-O 3.25Å; I34-L49 WeakPolarHBondContact CD1-O 3.32Å; I34-L49 HydrophobicContact CG2-CD1 4.34Å; I34-L49 HydrophobicContact CG2-CD2 4.47Å; I34-L52 HydrophobicContact CD1-CB 3.85Å; I34-A53 HydrophobicContact CD1-CB 3.75Å; I34-A53 HydrophobicContact CG1-CB 3.77Å; I34-D55 PolarHBondContact N-O 2.91Å; I34-V56 HydrophobicContact CB-CB 4.48Å; I34-V56 HydrophobicContact CB-CG1 4.19Å; I34-V56 HydrophobicContact CB-CG2 4.3Å; I34-V56 HydrophobicContact CD1-CG2 4.13Å; I34-V56 HydrophobicContact CG2-CG1 4.25Å; I34-H57 PolarHBondContact O-N 2.85Å |
| 35 | L | 98.7 | Very high | 95.1 | Very high | 1 Ų | 1 | 44.5 Ų | 44.5 | 1% | 0.005 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.1 | 105.8 | 172.5 | -55.3 | -175.8 | 0 | 0 | 0 | 108.4 | V3 L4 V5 L6 H57 V75 I82 L84 I112 M153 | V3-L35 HydrophobicContact CG1-CD1 3.78Å; V3-L35 HydrophobicContact CG1-CG 3.68Å; L4-L35 PolarHBondContact O-N 3.38Å; V5-L35 WeakPolarHBondContact CA-O 3.26Å; V5-L35 HydrophobicContact CG2-CB 4.42Å; L6-L35 PolarHBondContact N-O 2.72Å; L35-H57 HydrophobicContact CD2-CB 3.79Å; L35-V75 HydrophobicContact CD1-CG2 4.19Å; L35-V75 HydrophobicContact CD2-CG2 3.89Å; L35-I82 HydrophobicContact CD1-CB 4.4Å; L35-I82 HydrophobicContact CD1-CD1 4.17Å; L35-I82 HydrophobicContact CD1-CG2 3.75Å; L35-L84 HydrophobicContact CB-CD1 4.32Å; L35-L84 HydrophobicContact CB-CD2 4.09Å; L35-I112 HydrophobicContact CB-CD1 4.32Å; L35-I112 HydrophobicContact CD1-CD1 3.63Å; L35-M153 HydrophobicContact CD1-CE 4.32Å |
| 36 | C | 98.6 | Very high | 95.2 | Very high | 0 Ų | 0 | 43.7 Ų | 43.7 | 0% | 0 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.9 | 125.3 | -177 | -173.3 | 0 | 0 | 0 | 0 | 111.8 | L6 G38 L49 H57 I58 V59 | L6-C36 CarbonylContact O-C 3.58Å; L6-C36 WeakPolarHBondContact O-CA 3.46Å; L6-C36 PolarHBondContact O-SG 3.19Å; L6-C36 VanDerWaalsContact O-SG 3.36Å; C36-G38 PolarHBondContact O-N 3.29Å; C36-L49 HydrophobicContact CB-CD1 4.32Å; C36-H57 PolarHBondContact N-O 2.96Å; C36-I58 HydrophobicContact CB-CB 4.31Å; C36-I58 HydrophobicContact CB-CG1 3.84Å; C36-I58 HydrophobicContact CB-CG2 4.28Å; C36-V59 PolarHBondContact O-N 3.25Å |
| 37 | T | 98.8 | Very high | 95.2 | Very high | 0 Ų | 0 | 46.4 Ų | 46.4 | 0% | 0 | 25% | 0.249 | C | C | . | . | trans | -70.7 | -9.8 | 179.4 | 51.7 | 0 | 0 | 0 | 0 | 113.3 | L6 G7 V59 L84 H86 I112 P132 | L6-T37 PolarHBondContact O-N 2.88Å; G7-T37 VanDerWaalsContact CA-OG1 3.3Å; G7-T37 WeakPolarHBondContact CA-OG1 3.11Å; T37-V59 VanDerWaalsContact O-CG2 3.27Å; T37-V59 WeakPolarHBondContact O-CG2 3.41Å; T37-L84 HydrophobicContact CG2-CD1 4Å; T37-H86 WeakPolarHBondContact O-CA 3.41Å; T37-H86 VanDerWaalsContact O-CB 3.3Å; T37-H86 WeakPolarHBondContact O-CB 3.34Å; T37-H86 PolarHBondContact O-CD2 2.74Å; T37-I112 HydrophobicContact CG2-CG2 3.75Å; T37-P132 HydrophobicContact CG2-CG 4.06Å | ||
| 38 | G | 98.3 | Very high | 95.4 | Very high | 0 Ų | 0 | 46.6 Ų | 46.6 | 0% | 0 | 24% | 0.244 | C | C | . | . | S | Bend | trans | 107.2 | -163.4 | 179.6 | 0 | 0 | 0 | 0 | 0 | 112.6 | D8 C36 L40 V59 D64 | D8-G38 PolarHBondContact N-O 3.08Å; C36-G38 PolarHBondContact O-N 3.29Å; G38-L40 VanDerWaalsContact C-N 3.27Å; G38-L40 PolarHBondContact O-N 2.97Å; G38-V59 WeakPolarHBondContact CA-O 3.49Å; G38-D64 WeakPolarHBondContact CA-OD2 3.36Å |
| 39 | N | 98.2 | Very high | 95.7 | Very high | 1 Ų | 1 | 42.6 Ų | 42.6 | 1% | 0.005 | 22% | 0.218 | C | C | . | . | trans | 54.3 | 43.8 | -174.5 | -81.2 | -10.6 | 0 | 0 | 0 | 112.2 | D8 L9 H10 C41 G61 D62 F63 D64 H86 | D8-N39 PolarHBondContact OD1-ND2 3.3Å; L9-N39 PolarHBondContact N-O 3.24Å; H10-N39 PolarHBondContact CE1-ND2 3.18Å; H10-N39 PolarHBondContact N-O 3.13Å; H10-N39 PolarHBondContact NE2-ND2 2.96Å; N39-C41 VanDerWaalsContact C-N 3.35Å; N39-G61 VanDerWaalsContact OD1-CA 3.29Å; N39-G61 WeakPolarHBondContact OD1-CA 3.49Å; N39-D62 PolarHBondContact ND2-OD1 3.44Å; N39-D62 PolarHBondContact OD1-N 3.43Å; N39-D62 PolarHBondContact OD1-OD1 2.93Å; N39-F63 WeakPolarHBondContact OD1-CA 3.48Å; N39-F63 WeakPolarHBondContact OD1-CB 3.41Å; N39-F63 PolarHBondContact OD1-N 3.28Å; N39-D64 PolarHBondContact N-OD1 2.64Å; N39-D64 PolarHBondContact N-OD2 2.64Å; N39-H86 PolarHBondContact ND2-CE1 3.18Å; N39-H86 VanDerWaalsContact ND2-CE1 3.31Å; N39-H86 PolarHBondContact ND2-NE2 3.47Å | ||
| 40 | L | 96.5 | Very high | 95.9 | Very high | 0 Ų | 0 | 42.5 Ų | 42.5 | 0% | 0 | 20% | 0.195 | C | C | . | . | trans | -72.8 | -33.6 | 167.4 | -66 | -176.7 | 0 | 0 | 0 | 111.2 | L9 I11 G38 T42 S45 L49 I58 D64 | L9-L40 HydrophobicContact CD1-CD2 4.22Å; L9-L40 HydrophobicContact CD2-CD2 3.8Å; L9-L40 HydrophobicContact CG-CD2 4.4Å; I11-L40 VanDerWaalsContact O-O 3.06Å; G38-L40 VanDerWaalsContact C-N 3.27Å; G38-L40 PolarHBondContact O-N 2.97Å; L40-T42 PolarHBondContact O-N 2.67Å; L40-S45 PolarHBondContact O-OG 2.71Å; L40-L49 HydrophobicContact CD1-CD1 4.12Å; L40-L49 HydrophobicContact CD2-CD1 3.95Å; L40-I58 HydrophobicContact CD1-CD1 3.61Å; L40-I58 HydrophobicContact CD1-CG1 4.3Å; L40-I58 HydrophobicContact CD1-CG2 4.18Å; L40-D64 PolarHBondContact N-OD1 2.68Å | ||
| 41 | C | 91.2 | Very high | 96.1 | Very high | 4 Ų | 4 | 40.1 Ų | 40.1 | 3% | 0.027 | 19% | 0.191 | C | C | . | . | trans | 63.9 | -25.2 | -176.8 | -58.6 | 0 | 0 | 0 | 0 | 115.7 | I11 N39 F63 D64 | I11-C41 WeakPolarHBondContact O-CB 3.36Å; N39-C41 VanDerWaalsContact C-N 3.35Å; C41-F63 PolarHBondContact SG-O 3.4Å; C41-D64 PolarHBondContact N-OD1 2.86Å | ||
| 42 | T | 91.6 | Very high | 96.1 | Very high | 33 Ų | 33 | 39.4 Ų | 39.4 | 20% | 0.202 | 19% | 0.188 | C | C | . | . | S | Bend | trans | -136.5 | 155.6 | -176.5 | 50.6 | 0 | 0 | 0 | 0 | 114.5 | I11 P12 L40 E44 S45 Y46 | I11-T42 WeakPolarHBondContact O-CG2 3.34Å; I11-T42 PolarHBondContact O-OG1 2.91Å; P12-T42 VanDerWaalsContact CD-CG2 3.41Å; P12-T42 HydrophobicContact CG-CG2 4.48Å; L40-T42 PolarHBondContact O-N 2.67Å; T42-E44 VanDerWaalsContact C-N 3.27Å; T42-E44 PolarHBondContact O-N 2.88Å; T42-S45 PolarHBondContact O-N 2.85Å; T42-S45 PolarHBondContact OG1-OG 2.8Å; T42-Y46 PolarHBondContact O-N 3.43Å |
| 43 | K | 93.4 | Very high | 96.1 | Very high | 141 Ų | 141 | 35.3 Ų | 35.3 | 61% | 0.613 | 17% | 0.17 | S | C | * | . | H | α-helix | trans | -63.4 | -31.1 | 171 | -172.3 | -177.6 | 179.2 | -60.1 | 0 | 112.3 | S45 Y46 D47 | K43-S45 PolarHBondContact O-N 3.41Å; K43-Y46 VanDerWaalsContact O-CB 3.32Å; K43-Y46 WeakPolarHBondContact O-CB 3.48Å; K43-Y46 PolarHBondContact O-N 2.81Å; K43-Y46 VanDerWaalsContact O-N 3.16Å; K43-D47 IonicContact NZ-OD1 2.69Å; K43-D47 PolarHBondContact NZ-OD1 3.02Å; K43-D47 IonicContact NZ-OD2 3.32Å; K43-D47 PolarHBondContact NZ-OD2 3.05Å; K43-D47 VanDerWaalsContact O-CG 3.26Å; K43-D47 PolarHBondContact O-N 2.83Å |
| 44 | E | 94.1 | Very high | 95.9 | Very high | 152 Ų | 152 | 36.5 Ų | 36.5 | 71% | 0.71 | 19% | 0.193 | S | C | * | . | H | α-helix | trans | -61.3 | -44.7 | 177.8 | -173.5 | -179.1 | 172 | 0 | 0 | 111.7 | T42 Y46 D47 Y48 | T42-E44 VanDerWaalsContact C-N 3.27Å; T42-E44 PolarHBondContact O-N 2.88Å; E44-Y46 VanDerWaalsContact C-N 3.3Å; E44-Y46 PolarHBondContact O-N 3.03Å; E44-D47 PolarHBondContact O-N 2.88Å; E44-Y48 PolarHBondContact O-N 2.84Å |
| 45 | S | 95.1 | Very high | 95.8 | Very high | 7 Ų | 7 | 39.7 Ų | 39.7 | 5% | 0.049 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -61 | -39.3 | 174.2 | -63.1 | 0 | 0 | 0 | 0 | 112 | L40 T42 K43 L49 | L40-S45 PolarHBondContact O-OG 2.71Å; T42-S45 PolarHBondContact O-N 2.85Å; T42-S45 PolarHBondContact OG1-OG 2.8Å; K43-S45 PolarHBondContact O-N 3.41Å; S45-L49 WeakPolarHBondContact O-CG 3.38Å; S45-L49 PolarHBondContact O-N 2.9Å; S45-L49 VanDerWaalsContact O-N 3.16Å |
| 46 | Y | 95.5 | Very high | 95.7 | Very high | 65 Ų | 65 | 40.3 Ų | 40.3 | 26% | 0.255 | 21% | 0.214 | S | C | . | . | H | α-helix | trans | -62 | -50.3 | 173.5 | 176.3 | -87.5 | 0 | 0 | 0 | 112.2 | T42 K43 E44 Y48 L49 K50 I58 Y69 | T42-Y46 PolarHBondContact O-N 3.43Å; K43-Y46 VanDerWaalsContact O-CB 3.32Å; K43-Y46 WeakPolarHBondContact O-CB 3.48Å; K43-Y46 PolarHBondContact O-N 2.81Å; K43-Y46 VanDerWaalsContact O-N 3.16Å; E44-Y46 VanDerWaalsContact C-N 3.3Å; E44-Y46 PolarHBondContact O-N 3.03Å; Y46-Y48 VanDerWaalsContact C-N 3.26Å; Y46-Y48 PolarHBondContact O-N 2.92Å; Y46-L49 PolarHBondContact O-N 2.93Å; Y46-L49 VanDerWaalsContact O-N 3.1Å; Y46-K50 HydrophobicContact CD1-CG 4.18Å; Y46-K50 HydrophobicContact CE1-CD 4.47Å; Y46-K50 HydrophobicContact CE1-CG 3.63Å; Y46-K50 PolarHBondContact O-N 3.17Å; Y46-K50 WeakPolarHBondContact OH-CE 3.32Å; Y46-I58 HydrophobicContact CD2-CD1 3.17Å; Y46-I58 HydrophobicContact CE2-CD1 3.45Å; Y46-I58 VanDerWaalsContact CE2-CD1 3.45Å; Y46-I58 HydrophobicContact CG-CD1 4.39Å; Y46-Y69 HydrophobicContact CD2-CE1 4.39Å; Y46-Y69 WeakPolarHBondContact CD2-OH 3.38Å; Y46-Y69 HydrophobicContact CE2-CE1 4.5Å |
| 47 | D | 95.7 | Very high | 95.7 | Very high | 67 Ų | 67 | 41.3 Ų | 41.3 | 36% | 0.358 | 22% | 0.219 | S | C | . | . | H | α-helix | trans | -60.9 | -39.3 | -178.9 | -68.7 | -20.5 | 0 | 0 | 0 | 110.1 | K43 E44 K50 T51 | K43-D47 IonicContact NZ-OD1 2.69Å; K43-D47 PolarHBondContact NZ-OD1 3.02Å; K43-D47 IonicContact NZ-OD2 3.32Å; K43-D47 PolarHBondContact NZ-OD2 3.05Å; K43-D47 VanDerWaalsContact O-CG 3.26Å; K43-D47 PolarHBondContact O-N 2.83Å; E44-D47 PolarHBondContact O-N 2.88Å; D47-K50 WeakPolarHBondContact O-CB 3.49Å; D47-K50 PolarHBondContact O-N 2.77Å; D47-T51 WeakPolarHBondContact O-CG2 3.27Å; D47-T51 PolarHBondContact O-N 3.11Å |
| 48 | Y | 95.9 | Very high | 95.7 | Very high | 58 Ų | 58 | 41.8 Ų | 41.8 | 23% | 0.227 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -57.7 | -49 | 172 | 170 | -101 | 0 | 0 | 0 | 112.3 | L18 E44 Y46 K50 T51 L52 | L18-Y48 HydrophobicContact CD1-CD1 3.94Å; L18-Y48 HydrophobicContact CD1-CE1 3.26Å; E44-Y48 PolarHBondContact O-N 2.84Å; Y46-Y48 VanDerWaalsContact C-N 3.26Å; Y46-Y48 PolarHBondContact O-N 2.92Å; Y48-K50 VanDerWaalsContact C-N 3.25Å; Y48-K50 PolarHBondContact O-N 3.24Å; Y48-T51 WeakPolarHBondContact O-CB 3.11Å; Y48-T51 PolarHBondContact O-N 3.42Å; Y48-T51 PolarHBondContact O-OG1 2.79Å; Y48-L52 HydrophobicContact CD1-CD1 4.47Å; Y48-L52 HydrophobicContact CE1-CD1 3.73Å; Y48-L52 HydrophobicContact CE1-CG 4.39Å |
| 49 | L | 96.4 | Very high | 95.7 | Very high | 0 Ų | 0 | 41.8 Ų | 41.8 | 0% | 0 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -60.7 | -36.4 | 177.9 | -65.7 | -179.3 | 0 | 0 | 0 | 112 | L6 I34 C36 L40 S45 Y46 T51 L52 A53 V56 | L6-L49 HydrophobicContact CD1-CD1 4.32Å; L6-L49 HydrophobicContact CD1-CD2 3.97Å; L6-L49 HydrophobicContact CD2-CD2 3.83Å; L6-L49 HydrophobicContact CG-CD2 4.47Å; I34-L49 HydrophobicContact CD1-CB 4.14Å; I34-L49 HydrophobicContact CD1-CD2 4.4Å; I34-L49 VanDerWaalsContact CD1-O 3.25Å; I34-L49 WeakPolarHBondContact CD1-O 3.32Å; I34-L49 HydrophobicContact CG2-CD1 4.34Å; I34-L49 HydrophobicContact CG2-CD2 4.47Å; C36-L49 HydrophobicContact CB-CD1 4.32Å; L40-L49 HydrophobicContact CD1-CD1 4.12Å; L40-L49 HydrophobicContact CD2-CD1 3.95Å; S45-L49 WeakPolarHBondContact O-CG 3.38Å; S45-L49 PolarHBondContact O-N 2.9Å; S45-L49 VanDerWaalsContact O-N 3.16Å; Y46-L49 PolarHBondContact O-N 2.93Å; Y46-L49 VanDerWaalsContact O-N 3.1Å; L49-T51 PolarHBondContact O-N 3.02Å; L49-L52 HydrophobicContact CD2-CD1 4.28Å; L49-L52 WeakPolarHBondContact O-CB 3.5Å; L49-L52 PolarHBondContact O-N 2.86Å; L49-A53 PolarHBondContact O-N 3.49Å; L49-V56 HydrophobicContact CB-CG1 4.17Å; L49-V56 HydrophobicContact CD1-CG1 4.48Å |
| 50 | K | 96.1 | Very high | 95.7 | Very high | 79 Ų | 79 | 45.4 Ų | 45.4 | 34% | 0.343 | 23% | 0.234 | S | C | . | . | H | α-helix | trans | -65 | -22.4 | 174.4 | -78.2 | -71.9 | 179.6 | -175.2 | 0 | 114.1 | Y46 D47 Y48 L52 G54 V56 | Y46-K50 HydrophobicContact CD1-CG 4.18Å; Y46-K50 HydrophobicContact CE1-CD 4.47Å; Y46-K50 HydrophobicContact CE1-CG 3.63Å; Y46-K50 PolarHBondContact O-N 3.17Å; Y46-K50 WeakPolarHBondContact OH-CE 3.32Å; D47-K50 WeakPolarHBondContact O-CB 3.49Å; D47-K50 PolarHBondContact O-N 2.77Å; Y48-K50 VanDerWaalsContact C-N 3.25Å; Y48-K50 PolarHBondContact O-N 3.24Å; K50-L52 VanDerWaalsContact C-N 3.33Å; K50-G54 PolarHBondContact NZ-O 2.86Å; K50-V56 HydrophobicContact CD-CB 4.28Å; K50-V56 HydrophobicContact CD-CG2 3.74Å; K50-V56 HydrophobicContact CG-CG2 4.28Å |
| 51 | T | 96.3 | Very high | 95.8 | Very high | 83 Ų | 83 | 45.4 Ų | 45.4 | 51% | 0.509 | 24% | 0.235 | S | C | . | . | H | α-helix | trans | -73.3 | -26.4 | 170.8 | 74.7 | 0 | 0 | 0 | 0 | 112.8 | P28 D47 Y48 L49 | P28-T51 WeakPolarHBondContact CB-O 3.34Å; P28-T51 WeakPolarHBondContact CG-O 3.48Å; D47-T51 WeakPolarHBondContact O-CG2 3.27Å; D47-T51 PolarHBondContact O-N 3.11Å; Y48-T51 WeakPolarHBondContact O-CB 3.11Å; Y48-T51 PolarHBondContact O-N 3.42Å; Y48-T51 PolarHBondContact O-OG1 2.79Å; L49-T51 PolarHBondContact O-N 3.02Å |
| 52 | L | 96.1 | Very high | 96.1 | Very high | 4 Ų | 4 | 48.8 Ų | 48.8 | 2% | 0.021 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -82.8 | -41.2 | -176.8 | -60.9 | -178 | 0 | 0 | 0 | 112.3 | L4 L26 I34 Y48 L49 K50 | L4-L52 HydrophobicContact CD2-CD1 4.08Å; L26-L52 HydrophobicContact CB-CD1 4.04Å; L26-L52 HydrophobicContact CB-CD2 4.19Å; L26-L52 HydrophobicContact CD1-CD1 4.38Å; L26-L52 WeakPolarHBondContact O-CD2 3.29Å; I34-L52 HydrophobicContact CD1-CB 3.85Å; Y48-L52 HydrophobicContact CD1-CD1 4.47Å; Y48-L52 HydrophobicContact CE1-CD1 3.73Å; Y48-L52 HydrophobicContact CE1-CG 4.39Å; L49-L52 HydrophobicContact CD2-CD1 4.28Å; L49-L52 WeakPolarHBondContact O-CB 3.5Å; L49-L52 PolarHBondContact O-N 2.86Å; K50-L52 VanDerWaalsContact C-N 3.33Å |
| 53 | A | 95.8 | Very high | 96.4 | Very high | 7 Ų | 7 | 51.8 Ų | 51.8 | 6% | 0.058 | 26% | 0.263 | C | S | . | . | trans | -147.5 | 148.5 | 177.6 | 0 | 0 | 0 | 0 | 0 | 111.6 | I31 I34 L49 V56 | I31-A53 HydrophobicContact CB-CB 4.45Å; I31-A53 HydrophobicContact CG2-CB 4.2Å; I31-A53 WeakPolarHBondContact O-CB 3.26Å; I34-A53 HydrophobicContact CD1-CB 3.75Å; I34-A53 HydrophobicContact CG1-CB 3.77Å; L49-A53 PolarHBondContact O-N 3.49Å; A53-V56 VanDerWaalsContact O-CG2 3.26Å; A53-V56 WeakPolarHBondContact O-CG2 3.42Å | ||
| 54 | G | 92.9 | Very high | 96.5 | Very high | 65 Ų | 65 | 45.5 Ų | 45.5 | 67% | 0.67 | 24% | 0.236 | S | C | * | . | S | Bend | trans | -70.1 | -37.6 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.8 | K50 | K50-G54 PolarHBondContact NZ-O 2.86Š|
| 55 | D | 96.4 | Very high | 96.4 | Very high | 66 Ų | 66 | 44.9 Ų | 44.9 | 35% | 0.353 | 23% | 0.233 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.3 | 107.8 | -178.6 | -164.2 | 25.2 | 0 | 0 | 0 | 111.4 | H33 I34 H57 | H33-D55 CarbonylContact C-O 3.54Å; H33-D55 WeakPolarHBondContact CA-O 3.22Å; H33-D55 IonicContact CE1-OD2 2.64Å; H33-D55 PolarHBondContact CE1-OD2 3.13Å; H33-D55 VanDerWaalsContact CE1-OD2 3.32Å; H33-D55 IonicContact CG-OD2 3.11Å; H33-D55 IonicContact ND1-OD2 2.74Å; H33-D55 PolarHBondContact ND1-OD2 3.01Å; I34-D55 PolarHBondContact N-O 2.91Å; D55-H57 IonicContact OD1-CD2 3.13Å; D55-H57 IonicContact OD1-CE1 3.91Å; D55-H57 IonicContact OD1-NE2 2.85Å; D55-H57 PolarHBondContact OD1-NE2 2.66Å; D55-H57 IonicContact OD2-NE2 3.67Å; D55-H57 PolarHBondContact OD2-NE2 2.89Å; D55-H57 VanDerWaalsContact OD2-NE2 3.16Å |
| 56 | V | 97.6 | Very high | 96.3 | Very high | 15 Ų | 15 | 47.3 Ų | 47.3 | 9% | 0.091 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.7 | 120.1 | -171.7 | -175.4 | 0 | 0 | 0 | 0 | 108.9 | I34 L49 K50 A53 I58 | I34-V56 HydrophobicContact CB-CB 4.48Å; I34-V56 HydrophobicContact CB-CG1 4.19Å; I34-V56 HydrophobicContact CB-CG2 4.3Å; I34-V56 HydrophobicContact CD1-CG2 4.13Å; I34-V56 HydrophobicContact CG2-CG1 4.25Å; L49-V56 HydrophobicContact CB-CG1 4.17Å; L49-V56 HydrophobicContact CD1-CG1 4.48Å; K50-V56 HydrophobicContact CD-CB 4.28Å; K50-V56 HydrophobicContact CD-CG2 3.74Å; K50-V56 HydrophobicContact CG-CG2 4.28Å; A53-V56 VanDerWaalsContact O-CG2 3.26Å; A53-V56 WeakPolarHBondContact O-CG2 3.42Å; V56-I58 HydrophobicContact CG1-CD1 4.1Å; V56-I58 HydrophobicContact CG1-CG1 4.02Å |
| 57 | H | 98.2 | Very high | 96.2 | Very high | 21 Ų | 21 | 49.7 Ų | 49.7 | 10% | 0.097 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113 | 130.2 | 178.3 | -58.2 | -106.6 | 0 | 0 | 0 | 108.6 | I34 L35 C36 D55 K73 V75 L84 | I34-H57 PolarHBondContact O-N 2.85Å; L35-H57 HydrophobicContact CD2-CB 3.79Å; C36-H57 PolarHBondContact N-O 2.96Å; D55-H57 IonicContact OD1-CD2 3.13Å; D55-H57 IonicContact OD1-CE1 3.91Å; D55-H57 IonicContact OD1-NE2 2.85Å; D55-H57 PolarHBondContact OD1-NE2 2.66Å; D55-H57 IonicContact OD2-NE2 3.67Å; D55-H57 PolarHBondContact OD2-NE2 2.89Å; D55-H57 VanDerWaalsContact OD2-NE2 3.16Å; H57-K73 HydrophobicContact CB-CD 4.13Å; H57-K73 WeakPolarHBondContact ND1-CE 3.45Å; H57-K73 PolarHBondContact ND1-NZ 3.26Å; H57-V75 VanDerWaalsContact CE1-CG1 3.48Å; H57-V75 WeakPolarHBondContact CE1-CG1 3.34Å; H57-V75 VanDerWaalsContact ND1-CG1 3.3Å; H57-V75 WeakPolarHBondContact ND1-CG1 3.23Å; H57-L84 HydrophobicContact CB-CD2 4.36Å |
| 58 | I | 98.2 | Very high | 96.2 | Very high | 10 Ų | 10 | 53.4 Ų | 53.4 | 5% | 0.051 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.5 | 137.3 | -179.2 | -54.4 | 165.6 | 0 | 0 | 0 | 106.3 | C36 L40 Y46 V56 Y69 P70 | C36-I58 HydrophobicContact CB-CB 4.31Å; C36-I58 HydrophobicContact CB-CG1 3.84Å; C36-I58 HydrophobicContact CB-CG2 4.28Å; L40-I58 HydrophobicContact CD1-CD1 3.61Å; L40-I58 HydrophobicContact CD1-CG1 4.3Å; L40-I58 HydrophobicContact CD1-CG2 4.18Å; Y46-I58 HydrophobicContact CD2-CD1 3.17Å; Y46-I58 HydrophobicContact CE2-CD1 3.45Å; Y46-I58 VanDerWaalsContact CE2-CD1 3.45Å; Y46-I58 HydrophobicContact CG-CD1 4.39Å; V56-I58 HydrophobicContact CG1-CD1 4.1Å; V56-I58 HydrophobicContact CG1-CG1 4.02Å; I58-Y69 HydrophobicContact CB-CD1 4.3Å; I58-Y69 HydrophobicContact CB-CE1 4.41Å; I58-Y69 HydrophobicContact CB-CG 4.48Å; I58-Y69 HydrophobicContact CD1-CE1 4.12Å; I58-Y69 HydrophobicContact CG2-CD1 4.34Å; I58-Y69 HydrophobicContact CG2-CD2 3.9Å; I58-Y69 HydrophobicContact CG2-CE1 4.46Å; I58-Y69 HydrophobicContact CG2-CE2 4.01Å; I58-Y69 HydrophobicContact CG2-CG 4.09Å; I58-P70 WeakPolarHBondContact O-CD 3.43Å |
| 59 | V | 98.5 | Very high | 96.3 | Very high | 0 Ų | 0 | 52.1 Ų | 52.1 | 0% | 0 | 28% | 0.277 | C | S | . | . | trans | -108.3 | 157.5 | 166.6 | -64.2 | 0 | 0 | 0 | 0 | 109.6 | C36 T37 G38 G61 P70 K73 L84 | C36-V59 PolarHBondContact O-N 3.25Å; T37-V59 VanDerWaalsContact O-CG2 3.27Å; T37-V59 WeakPolarHBondContact O-CG2 3.41Å; G38-V59 WeakPolarHBondContact CA-O 3.49Å; V59-G61 PolarHBondContact O-N 2.92Å; V59-P70 CarbonylContact C-O 3.47Å; V59-P70 WeakPolarHBondContact CA-O 3.41Å; V59-P70 WeakPolarHBondContact CB-O 3.5Å; V59-K73 HydrophobicContact CG1-CB 3.92Å; V59-L84 HydrophobicContact CB-CG 4.43Å; V59-L84 HydrophobicContact CG1-CB 4.14Å; V59-L84 HydrophobicContact CG1-CD2 3.89Å; V59-L84 HydrophobicContact CG1-CG 3.73Å; V59-L84 HydrophobicContact CG2-CD1 4.49Å; V59-L84 HydrophobicContact CG2-CD2 4.38Å; V59-L84 HydrophobicContact CG2-CG 3.86Å | ||
| 60 | R | 98.5 | Very high | 96.4 | Very high | 76 Ų | 76 | 54.9 Ų | 54.9 | 29% | 0.287 | 30% | 0.295 | S | S | . | . | trans | -76.7 | 121.5 | -172.6 | -173.2 | 169.2 | 168.8 | -136.6 | -5.4 | 111.5 | D64 P70 E71 H86 | R60-D64 HydrophobicContact CG-CB 4.4Å; R60-P70 PolarHBondContact N-O 3.41Å; R60-E71 IonicContact CZ-OE1 3.95Å; R60-E71 IonicContact NH1-OE1 3.34Å; R60-E71 PolarHBondContact NH1-OE1 3.31Å; R60-E71 VanDerWaalsContact NH1-OE1 3.13Å; R60-H86 VanDerWaalsContact O-CB 3.32Å; R60-H86 WeakPolarHBondContact O-CB 3.5Å | ||
| 61 | G | 98.3 | Very high | 96.5 | Very high | 1 Ų | 1 | 54.8 Ų | 54.8 | 1% | 0.01 | 30% | 0.296 | C | S | . | . | trans | -83.3 | 164 | 164.8 | 0 | 0 | 0 | 0 | 0 | 113.1 | N39 V59 F63 D64 H86 | N39-G61 VanDerWaalsContact OD1-CA 3.29Å; N39-G61 WeakPolarHBondContact OD1-CA 3.49Å; V59-G61 PolarHBondContact O-N 2.92Å; G61-F63 PolarHBondContact O-N 3.42Å; G61-D64 WeakPolarHBondContact CA-OD2 3.23Å; G61-D64 PolarHBondContact N-OD2 3.31Å; G61-D64 PolarHBondContact O-N 3.47Å; G61-H86 WeakPolarHBondContact CA-CD2 3.37Å | ||
| 62 | D | 97.6 | Very high | 96.6 | Very high | 75 Ų | 75 | 55.1 Ų | 55.1 | 40% | 0.401 | 29% | 0.291 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -68.4 | -19.5 | 180 | 56.9 | -32.8 | 0 | 0 | 0 | 113.3 | N39 H86 H88 | N39-D62 PolarHBondContact ND2-OD1 3.44Å; N39-D62 PolarHBondContact OD1-N 3.43Å; N39-D62 PolarHBondContact OD1-OD1 2.93Å; D62-H86 IonicContact OD1-CE1 3.6Å; D62-H86 PolarHBondContact OD1-CE1 2.86Å; D62-H86 IonicContact OD1-ND1 3.86Å; D62-H86 IonicContact OD1-NE2 3.17Å; D62-H88 HydrophobicContact CB-CB 4.28Å |
| 63 | F | 97.2 | Very high | 96.7 | Very high | 96 Ų | 96 | 58.6 Ų | 58.6 | 42% | 0.421 | 31% | 0.306 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -108.5 | 6.9 | 174.7 | -68.5 | -95.6 | 0 | 0 | 0 | 113.8 | H10 N39 C41 G61 E65 | H10-F63 AromaticContact CE1-CD2 3.5Å; H10-F63 VanDerWaalsContact CE1-CD2 3.5Å; H10-F63 WeakPolarHBondContact CE1-CD2 3.48Å; H10-F63 AromaticContact CE1-CG 3.73Å; N39-F63 WeakPolarHBondContact OD1-CA 3.48Å; N39-F63 WeakPolarHBondContact OD1-CB 3.41Å; N39-F63 PolarHBondContact OD1-N 3.28Å; C41-F63 PolarHBondContact SG-O 3.4Å; G61-F63 PolarHBondContact O-N 3.42Å; F63-E65 PolarHBondContact O-N 2.99Å |
| 64 | D | 97 | Very high | 96.8 | Very high | 9 Ų | 9 | 61.5 Ų | 61.5 | 5% | 0.048 | 32% | 0.323 | C | S | . | . | trans | -75.6 | 123.5 | 175.9 | -81 | -46.4 | 0 | 0 | 0 | 111.6 | G38 N39 L40 C41 R60 G61 N66 Y69 | G38-D64 WeakPolarHBondContact CA-OD2 3.36Å; N39-D64 PolarHBondContact N-OD1 2.64Å; N39-D64 PolarHBondContact N-OD2 2.64Å; L40-D64 PolarHBondContact N-OD1 2.68Å; C41-D64 PolarHBondContact N-OD1 2.86Å; R60-D64 HydrophobicContact CG-CB 4.4Å; G61-D64 WeakPolarHBondContact CA-OD2 3.23Å; G61-D64 PolarHBondContact N-OD2 3.31Å; G61-D64 PolarHBondContact O-N 3.47Å; D64-N66 VanDerWaalsContact C-N 3.3Å; D64-N66 PolarHBondContact O-N 3.19Å; D64-Y69 HydrophobicContact CB-CD2 4.38Å | ||
| 65 | E | 91.1 | Very high | 97 | Very high | 138 Ų | 138 | 59.1 Ų | 59.1 | 65% | 0.645 | 30% | 0.296 | S | S | * | . | S | Bend | trans | -69.2 | -29.2 | 174.7 | -61.8 | -175.3 | 167.6 | 0 | 0 | 112.4 | F63 L67 | F63-E65 PolarHBondContact O-N 2.99Å; E65-L67 PolarHBondContact O-N 3.02Å; E65-L67 VanDerWaalsContact O-N 3.11Å |
| 66 | N | 93.2 | Very high | 97.1 | Very high | 59 Ų | 59 | 60.6 Ų | 60.6 | 32% | 0.316 | 31% | 0.307 | S | S | . | . | trans | -80.6 | 96.2 | -179.9 | -172.6 | -2.1 | 0 | 0 | 0 | 111 | D64 N68 Y69 | D64-N66 VanDerWaalsContact C-N 3.3Å; D64-N66 PolarHBondContact O-N 3.19Å; N66-N68 PolarHBondContact O-N 3.36Å; N66-N68 VanDerWaalsContact O-N 3.15Å; N66-N68 VanDerWaalsContact OD1-CB 3.31Å; N66-N68 WeakPolarHBondContact OD1-CB 3.29Å; N66-N68 PolarHBondContact OD1-N 2.91Å; N66-N68 VanDerWaalsContact OD1-N 3.09Å; N66-N68 PolarHBondContact OD1-ND2 3.36Å; N66-Y69 HydrophobicContact CB-CD2 4.02Å; N66-Y69 HydrophobicContact CB-CE1 4.48Å; N66-Y69 HydrophobicContact CB-CE2 3.65Å; N66-Y69 VanDerWaalsContact ND2-CE1 3.32Å; N66-Y69 WeakPolarHBondContact ND2-CE1 3.41Å; N66-Y69 VanDerWaalsContact ND2-CZ 3.3Å; N66-Y69 PolarHBondContact ND2-OH 2.83Å; N66-Y69 WeakPolarHBondContact O-CD2 3.37Å; N66-Y69 PolarHBondContact O-N 3.27Å | ||
| 67 | L | 92.6 | Very high | 97 | Very high | 115 Ų | 115 | 60.1 Ų | 60.1 | 60% | 0.602 | 30% | 0.304 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.8 | -6.8 | -179.9 | -47.3 | -177.6 | 0 | 0 | 0 | 114.1 | E65 Y69 | E65-L67 PolarHBondContact O-N 3.02Å; E65-L67 VanDerWaalsContact O-N 3.11Å; L67-Y69 VanDerWaalsContact C-N 3.32Å |
| 68 | N | 96.2 | Very high | 96.8 | Very high | 145 Ų | 145 | 61.2 Ų | 61.2 | 78% | 0.775 | 32% | 0.322 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82.4 | -10.1 | 179.2 | -57.2 | -60.8 | 0 | 0 | 0 | 113.1 | N66 | N66-N68 PolarHBondContact O-N 3.36Å; N66-N68 VanDerWaalsContact O-N 3.15Å; N66-N68 VanDerWaalsContact OD1-CB 3.31Å; N66-N68 WeakPolarHBondContact OD1-CB 3.29Å; N66-N68 PolarHBondContact OD1-N 2.91Å; N66-N68 VanDerWaalsContact OD1-N 3.09Å; N66-N68 PolarHBondContact OD1-ND2 3.36Å |
| 69 | Y | 97.3 | Very high | 96.7 | Very high | 31 Ų | 31 | 66 Ų | 66 | 12% | 0.122 | 34% | 0.344 | C | S | . | . | S | Bend | trans | -67.3 | 137.5 | 172.7 | -61.7 | -34.6 | 0 | 0 | 0 | 110 | Y46 I58 D64 N66 L67 | Y46-Y69 HydrophobicContact CD2-CE1 4.39Å; Y46-Y69 WeakPolarHBondContact CD2-OH 3.38Å; Y46-Y69 HydrophobicContact CE2-CE1 4.5Å; I58-Y69 HydrophobicContact CB-CD1 4.3Å; I58-Y69 HydrophobicContact CB-CE1 4.41Å; I58-Y69 HydrophobicContact CB-CG 4.48Å; I58-Y69 HydrophobicContact CD1-CE1 4.12Å; I58-Y69 HydrophobicContact CG2-CD1 4.34Å; I58-Y69 HydrophobicContact CG2-CD2 3.9Å; I58-Y69 HydrophobicContact CG2-CE1 4.46Å; I58-Y69 HydrophobicContact CG2-CE2 4.01Å; I58-Y69 HydrophobicContact CG2-CG 4.09Å; D64-Y69 HydrophobicContact CB-CD2 4.38Å; N66-Y69 HydrophobicContact CB-CD2 4.02Å; N66-Y69 HydrophobicContact CB-CE1 4.48Å; N66-Y69 HydrophobicContact CB-CE2 3.65Å; N66-Y69 VanDerWaalsContact ND2-CE1 3.32Å; N66-Y69 WeakPolarHBondContact ND2-CE1 3.41Å; N66-Y69 VanDerWaalsContact ND2-CZ 3.3Å; N66-Y69 PolarHBondContact ND2-OH 2.83Å; N66-Y69 WeakPolarHBondContact O-CD2 3.37Å; N66-Y69 PolarHBondContact O-N 3.27Å; L67-Y69 VanDerWaalsContact C-N 3.32Å |
| 70 | P | 98.3 | Very high | 96.7 | Very high | 57 Ų | 57 | 66 Ų | 66 | 37% | 0.37 | 34% | 0.344 | S | S | . | . | trans | -69.8 | 148.3 | 177.2 | 31.1 | -36.2 | 0 | 0 | 0 | 110.6 | I58 V59 R60 Q72 | I58-P70 WeakPolarHBondContact O-CD 3.43Å; V59-P70 CarbonylContact C-O 3.47Å; V59-P70 WeakPolarHBondContact CA-O 3.41Å; V59-P70 WeakPolarHBondContact CB-O 3.5Å; R60-P70 PolarHBondContact N-O 3.41Å; P70-Q72 PolarHBondContact O-N 3.24Å | ||
| 71 | E | 98.2 | Very high | 96.7 | Very high | 78 Ų | 78 | 66.1 Ų | 66.1 | 36% | 0.364 | 35% | 0.346 | S | S | . | . | S | Bend | trans | -62.4 | -33.4 | 175.6 | -68.6 | -64.2 | 146 | 0 | 0 | 112.6 | R60 Q89 | R60-E71 IonicContact CZ-OE1 3.95Å; R60-E71 IonicContact NH1-OE1 3.34Å; R60-E71 PolarHBondContact NH1-OE1 3.31Å; R60-E71 VanDerWaalsContact NH1-OE1 3.13Å; E71-Q89 PolarHBondContact OE2-NE2 3.36Å |
| 72 | Q | 98.4 | Very high | 96.7 | Very high | 89 Ų | 89 | 66.1 Ų | 66.1 | 42% | 0.416 | 35% | 0.346 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.7 | 156.6 | 179.9 | 69.1 | -164.8 | 11.4 | 0 | 0 | 110.4 | P70 L84 I85 F106 | P70-Q72 PolarHBondContact O-N 3.24Å; Q72-L84 CarbonylContact C-O 3.53Å; Q72-L84 VanDerWaalsContact CA-O 3.25Å; Q72-L84 WeakPolarHBondContact CA-O 3.13Å; Q72-I85 HydrophobicContact CB-CG1 4.5Å; Q72-F106 HydrophobicContact CB-CE2 4.26Å; Q72-F106 HydrophobicContact CB-CZ 3.9Å; Q72-F106 VanDerWaalsContact CD-CE1 3.42Å; Q72-F106 HydrophobicContact CG-CE1 4.4Å; Q72-F106 HydrophobicContact CG-CZ 4.16Å |
| 73 | K | 98.5 | Very high | 96.8 | Very high | 77 Ų | 77 | 62.5 Ų | 62.5 | 34% | 0.335 | 33% | 0.327 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.4 | 140.7 | 176.3 | -162.5 | 170.2 | -172 | 175 | 0 | 110.7 | H57 V59 V75 G83 L84 | H57-K73 HydrophobicContact CB-CD 4.13Å; H57-K73 WeakPolarHBondContact ND1-CE 3.45Å; H57-K73 PolarHBondContact ND1-NZ 3.26Å; V59-K73 HydrophobicContact CG1-CB 3.92Å; K73-V75 HydrophobicContact CD-CG1 4.31Å; K73-V75 HydrophobicContact CG-CG1 4.19Å; K73-G83 CarbonylContact O-C 3.58Å; K73-L84 PolarHBondContact N-O 2.81Å; K73-L84 PolarHBondContact O-N 3.04Å |
| 74 | V | 98.7 | Very high | 96.8 | Very high | 68 Ų | 68 | 58 Ų | 58 | 41% | 0.412 | 31% | 0.307 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.4 | 132.5 | 167.6 | 179.3 | 0 | 0 | 0 | 0 | 108.3 | I82 F106 V108 | V74-I82 WeakPolarHBondContact CA-O 3.42Å; V74-F106 HydrophobicContact CG2-CB 3.99Å; V74-F106 HydrophobicContact CG2-CD2 4.5Å; V74-F106 HydrophobicContact CG2-CG 4.3Å; V74-V108 HydrophobicContact CG1-CG1 3.82Å; V74-V108 HydrophobicContact CG2-CG1 3.97Å |
| 75 | V | 98.1 | Very high | 96.9 | Very high | 15 Ų | 15 | 57.8 Ų | 57.8 | 9% | 0.091 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.8 | 156.8 | 176.1 | -59.7 | 0 | 0 | 0 | 0 | 109.6 | L35 H57 K73 V77 I82 | L35-V75 HydrophobicContact CD1-CG2 4.19Å; L35-V75 HydrophobicContact CD2-CG2 3.89Å; H57-V75 VanDerWaalsContact CE1-CG1 3.48Å; H57-V75 WeakPolarHBondContact CE1-CG1 3.34Å; H57-V75 VanDerWaalsContact ND1-CG1 3.3Å; H57-V75 WeakPolarHBondContact ND1-CG1 3.23Å; K73-V75 HydrophobicContact CD-CG1 4.31Å; K73-V75 HydrophobicContact CG-CG1 4.19Å; V75-V77 HydrophobicContact CG2-CG2 4.38Å; V75-I82 HydrophobicContact CG2-CB 3.89Å; V75-I82 PolarHBondContact N-O 3.25Å; V75-I82 PolarHBondContact O-N 3.1Å |
| 76 | T | 97.7 | Very high | 97.3 | Very high | 97 Ų | 97 | 51.2 Ų | 51.2 | 60% | 0.595 | 28% | 0.275 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -114.7 | 122.5 | 172.4 | -58.7 | 0 | 0 | 0 | 0 | 108.7 | F80 | T76-F80 WeakPolarHBondContact CA-O 3.25Å |
| 77 | V | 96.4 | Very high | 97.5 | Very high | 5 Ų | 5 | 48.6 Ų | 48.6 | 3% | 0.03 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.2 | 109.6 | 174.3 | -175 | 0 | 0 | 0 | 0 | 107.8 | M1 V3 V75 Q79 F80 I82 I155 | M1-V77 HydrophobicContact CB-CG1 4.27Å; M1-V77 HydrophobicContact CE-CG1 3.96Å; M1-V77 HydrophobicContact SD-CG1 3.94Å; V3-V77 HydrophobicContact CG2-CB 4.5Å; V3-V77 HydrophobicContact CG2-CG1 3.81Å; V3-V77 HydrophobicContact CG2-CG2 4.38Å; V75-V77 HydrophobicContact CG2-CG2 4.38Å; V77-Q79 PolarHBondContact O-N 3.45Å; V77-F80 PolarHBondContact N-O 3.16Å; V77-F80 PolarHBondContact O-N 3.16Å; V77-I82 HydrophobicContact CB-CD1 4.07Å; V77-I82 HydrophobicContact CG2-CD1 4.05Å; V77-I155 HydrophobicContact CB-CD1 3.91Å; V77-I155 HydrophobicContact CG1-CD1 3.74Å |
| 78 | G | 93.9 | Very high | 97.8 | Very high | 45 Ų | 45 | 45.5 Ų | 45.5 | 46% | 0.464 | 24% | 0.244 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 62.7 | -126 | -171.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | M1 | M1-G78 VanDerWaalsContact CE-N 3.29Š|
| 79 | Q | 95.5 | Very high | 97.9 | Very high | 110 Ų | 110 | 41.9 Ų | 41.9 | 51% | 0.514 | 22% | 0.223 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -91.3 | 1.1 | 179.8 | -59.1 | -170.8 | 13.2 | 0 | 0 | 113.9 | V77 A157 K181 | V77-Q79 PolarHBondContact O-N 3.45Å; Q79-A157 WeakPolarHBondContact CB-O 3.15Å; Q79-A157 WeakPolarHBondContact CG-O 3.31Å; Q79-K181 PolarHBondContact O-NZ 3.41Å |
| 80 | F | 98 | Very high | 97.9 | Very high | 0 Ų | 0 | 40.7 Ų | 40.7 | 0% | 0 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.7 | 128.3 | -176.4 | -64 | -89 | 0 | 0 | 0 | 110.9 | T76 V77 I82 D109 I110 I155 S158 V160 Y179 K181 | T76-F80 WeakPolarHBondContact CA-O 3.25Å; V77-F80 PolarHBondContact N-O 3.16Å; V77-F80 PolarHBondContact O-N 3.16Å; F80-I82 HydrophobicContact CB-CG1 4.22Å; F80-D109 HydrophobicContact CD1-CB 3.94Å; F80-I110 HydrophobicContact CB-CD1 4.21Å; F80-I110 HydrophobicContact CD1-CD1 3.84Å; F80-I110 HydrophobicContact CD1-CG1 4.01Å; F80-I110 HydrophobicContact CE1-CD1 4.43Å; F80-I110 HydrophobicContact CG-CD1 4.1Å; F80-I155 HydrophobicContact CD2-CG2 3.6Å; F80-I155 HydrophobicContact CE2-CG2 3.89Å; F80-S158 VanDerWaalsContact CZ-C 3.41Å; F80-S158 WeakPolarHBondContact CZ-O 3.32Å; F80-V160 HydrophobicContact CE2-CB 4.39Å; F80-V160 HydrophobicContact CZ-CB 4.24Å; F80-V160 HydrophobicContact CZ-CG1 4.38Å; F80-Y179 HydrophobicContact CD1-CE1 4.25Å; F80-Y179 AromaticContact CE1-CD1 3.91Å; F80-Y179 HydrophobicContact CE1-CD1 3.91Å; F80-Y179 AromaticContact CE1-CE1 3.63Å; F80-Y179 HydrophobicContact CE1-CE1 3.63Å; F80-K181 HydrophobicContact CD1-CD 4.38Å; F80-K181 HydrophobicContact CE1-CB 3.75Å; F80-K181 HydrophobicContact CE1-CD 4.4Å; F80-K181 HydrophobicContact CZ-CB 4.14Å |
| 81 | K | 98.2 | Very high | 97.9 | Very high | 79 Ų | 79 | 44.4 Ų | 44.4 | 34% | 0.343 | 23% | 0.234 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.4 | 127.1 | 158.4 | -78.4 | -175.9 | 176.1 | -177.5 | 0 | 108.6 | D107 V108 D109 I110 | K81-D107 WeakPolarHBondContact CD-O 3.26Å; K81-D107 IonicContact NZ-OD2 2.75Å; K81-D107 PolarHBondContact NZ-OD2 3.44Å; K81-V108 HydrophobicContact CB-CB 4.35Å; K81-V108 HydrophobicContact CB-CG1 4.24Å; K81-D109 PolarHBondContact N-OD2 3.47Å; K81-D109 PolarHBondContact O-N 3.24Å; K81-I110 PolarHBondContact O-N 3.03Å; K81-I110 VanDerWaalsContact O-N 3.14Å |
| 82 | I | 98.7 | Very high | 97.8 | Very high | 0 Ų | 0 | 44.7 Ų | 44.7 | 0% | 0 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.1 | 119 | -176.6 | -50.1 | 178.3 | 0 | 0 | 0 | 108.4 | L35 V74 V75 V77 F80 I110 I112 M153 I155 | L35-I82 HydrophobicContact CD1-CB 4.4Å; L35-I82 HydrophobicContact CD1-CD1 4.17Å; L35-I82 HydrophobicContact CD1-CG2 3.75Å; V74-I82 WeakPolarHBondContact CA-O 3.42Å; V75-I82 HydrophobicContact CG2-CB 3.89Å; V75-I82 PolarHBondContact N-O 3.25Å; V75-I82 PolarHBondContact O-N 3.1Å; V77-I82 HydrophobicContact CB-CD1 4.07Å; V77-I82 HydrophobicContact CG2-CD1 4.05Å; F80-I82 HydrophobicContact CB-CG1 4.22Å; I82-I110 CarbonylContact C-O 3.56Å; I82-I110 WeakPolarHBondContact CA-O 3.44Å; I82-I110 HydrophobicContact CG1-CB 4.26Å; I82-I110 HydrophobicContact CG1-CD1 4.36Å; I82-I110 HydrophobicContact CG2-CB 4.22Å; I82-I110 HydrophobicContact CG2-CG2 4.34Å; I82-I112 HydrophobicContact CG2-CD1 3.49Å; I82-I112 VanDerWaalsContact CG2-CD1 3.49Å; I82-I112 HydrophobicContact CG2-CG1 3.88Å; I82-M153 HydrophobicContact CD1-CE 4.03Å; I82-I155 HydrophobicContact CD1-CD1 3.92Å |
| 83 | G | 98.8 | Very high | 97.8 | Very high | 0 Ų | 0 | 44.9 Ų | 44.9 | 0% | 0 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.9 | 141.2 | 170.6 | 0 | 0 | 0 | 0 | 0 | 110.2 | K73 I110 I112 | K73-G83 CarbonylContact O-C 3.58Å; G83-I110 PolarHBondContact N-O 2.8Å; G83-I112 PolarHBondContact O-N 3.3Å |
| 84 | L | 98.9 | Very high | 97.7 | Very high | 0 Ų | 0 | 42.5 Ų | 42.5 | 0% | 0 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.6 | 129.4 | 179.2 | -176 | 63.9 | 0 | 0 | 0 | 108.3 | L35 T37 H57 V59 Q72 K73 I112 | L35-L84 HydrophobicContact CB-CD1 4.32Å; L35-L84 HydrophobicContact CB-CD2 4.09Å; T37-L84 HydrophobicContact CG2-CD1 4Å; H57-L84 HydrophobicContact CB-CD2 4.36Å; V59-L84 HydrophobicContact CB-CG 4.43Å; V59-L84 HydrophobicContact CG1-CB 4.14Å; V59-L84 HydrophobicContact CG1-CD2 3.89Å; V59-L84 HydrophobicContact CG1-CG 3.73Å; V59-L84 HydrophobicContact CG2-CD1 4.49Å; V59-L84 HydrophobicContact CG2-CD2 4.38Å; V59-L84 HydrophobicContact CG2-CG 3.86Å; Q72-L84 CarbonylContact C-O 3.53Å; Q72-L84 VanDerWaalsContact CA-O 3.25Å; Q72-L84 WeakPolarHBondContact CA-O 3.13Å; K73-L84 PolarHBondContact N-O 2.81Å; K73-L84 PolarHBondContact O-N 3.04Å; L84-I112 WeakPolarHBondContact CA-O 3.5Å; L84-I112 HydrophobicContact CD1-CB 3.82Å; L84-I112 HydrophobicContact CD1-CG2 3.63Å |
| 85 | I | 98.8 | Very high | 97.7 | Very high | 5 Ų | 5 | 41.8 Ų | 41.8 | 3% | 0.026 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -148.2 | 154.8 | 175.7 | -170.1 | 170.9 | 0 | 0 | 0 | 108.6 | Q72 Q89 L102 F106 L111 I112 S113 | Q72-I85 HydrophobicContact CB-CG1 4.5Å; I85-Q89 HydrophobicContact CD1-CB 4.42Å; I85-L102 HydrophobicContact CD1-CD1 4Å; I85-F106 HydrophobicContact CD1-CZ 4.45Å; I85-L111 HydrophobicContact CG2-CD1 4.48Å; I85-I112 PolarHBondContact N-O 2.8Å; I85-S113 WeakPolarHBondContact O-CA 3.35Å |
| 86 | H | 98.8 | Very high | 97.7 | Very high | 0 Ų | 0 | 43.3 Ų | 43.3 | 0% | 0 | 24% | 0.238 | C | C | . | . | trans | -68.5 | -44.6 | 173.7 | -176.8 | -91.4 | 0 | 0 | 0 | 111.9 | D8 T37 N39 R60 G61 D62 H88 G114 H115 | D8-H86 IonicContact OD1-CE1 3.85Å; D8-H86 IonicContact OD1-NE2 3.16Å; D8-H86 PolarHBondContact OD1-NE2 2.84Å; D8-H86 VanDerWaalsContact OD1-NE2 3.11Å; T37-H86 WeakPolarHBondContact O-CA 3.41Å; T37-H86 VanDerWaalsContact O-CB 3.3Å; T37-H86 WeakPolarHBondContact O-CB 3.34Å; T37-H86 PolarHBondContact O-CD2 2.74Å; N39-H86 PolarHBondContact ND2-CE1 3.18Å; N39-H86 VanDerWaalsContact ND2-CE1 3.31Å; N39-H86 PolarHBondContact ND2-NE2 3.47Å; R60-H86 VanDerWaalsContact O-CB 3.32Å; R60-H86 WeakPolarHBondContact O-CB 3.5Å; G61-H86 WeakPolarHBondContact CA-CD2 3.37Å; D62-H86 IonicContact OD1-CE1 3.6Å; D62-H86 PolarHBondContact OD1-CE1 2.86Å; D62-H86 IonicContact OD1-ND1 3.86Å; D62-H86 IonicContact OD1-NE2 3.17Å; H86-H88 AromaticContact CE1-ND1 3.97Å; H86-H88 AromaticContact CG-ND1 3.5Å; H86-H88 AromaticContact ND1-CG 3.68Å; H86-H88 PolarHBondContact ND1-N 2.89Å; H86-H88 AromaticContact ND1-ND1 3.07Å; H86-H88 PolarHBondContact ND1-ND1 3.38Å; H86-G114 CarbonylContact O-C 3.59Å; H86-G114 WeakPolarHBondContact O-CA 3.35Å; H86-G114 PolarHBondContact O-N 2.82Å; H86-H115 AromaticContact CE1-CG 3.92Å; H86-H115 AromaticContact CE1-ND1 3.41Å; H86-H115 PolarHBondContact CE1-ND1 2.93Å; H86-H115 AromaticContact ND1-ND1 3.8Å; H86-H115 WeakPolarHBondContact O-CB 3.22Å; H86-H115 PolarHBondContact O-N 2.78Å | ||
| 87 | G | 98.3 | Very high | 97.7 | Very high | 4 Ų | 4 | 42.1 Ų | 42.1 | 4% | 0.041 | 24% | 0.238 | C | C | . | . | S | Bend | trans | 98.7 | -0.7 | 177.3 | 0 | 0 | 0 | 0 | 0 | 114.5 | Q89 V90 | G87-Q89 PolarHBondContact O-N 2.97Å; G87-V90 WeakPolarHBondContact O-CB 3.49Å; G87-V90 PolarHBondContact O-N 3.03Å |
| 88 | H | 98.3 | Very high | 97.8 | Very high | 50 Ų | 50 | 43.6 Ų | 43.6 | 23% | 0.231 | 25% | 0.249 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -66.7 | -18.6 | 169.9 | 67.5 | -99.7 | 0 | 0 | 0 | 111.8 | D62 H86 V90 H115 | D62-H88 HydrophobicContact CB-CB 4.28Å; H86-H88 AromaticContact CE1-ND1 3.97Å; H86-H88 AromaticContact CG-ND1 3.5Å; H86-H88 AromaticContact ND1-CG 3.68Å; H86-H88 PolarHBondContact ND1-N 2.89Å; H86-H88 AromaticContact ND1-ND1 3.07Å; H86-H88 PolarHBondContact ND1-ND1 3.38Å; H88-V90 VanDerWaalsContact C-N 3.26Å; H88-H115 WeakPolarHBondContact CB-ND1 3.48Å |
| 89 | Q | 98 | Very high | 98 | Very high | 70 Ų | 70 | 41.8 Ų | 41.8 | 33% | 0.327 | 23% | 0.228 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -74.8 | -13.3 | 173.8 | -53 | 88.4 | -14.7 | 0 | 0 | 112.8 | E71 I85 G87 | E71-Q89 PolarHBondContact OE2-NE2 3.36Å; I85-Q89 HydrophobicContact CD1-CB 4.42Å; G87-Q89 PolarHBondContact O-N 2.97Å |
| 90 | V | 98 | Very high | 98.1 | Very high | 5 Ų | 5 | 36.7 Ų | 36.7 | 3% | 0.03 | 21% | 0.205 | C | C | . | . | S | Bend | trans | -94.2 | 118.8 | -179 | 179 | 0 | 0 | 0 | 0 | 109.7 | G87 H88 P92 D95 L99 L102 | G87-V90 WeakPolarHBondContact O-CB 3.49Å; G87-V90 PolarHBondContact O-N 3.03Å; H88-V90 VanDerWaalsContact C-N 3.26Å; V90-P92 CarbonylContact C-O 3.24Å; V90-P92 CarbonylContact O-C 3.58Å; V90-D95 HydrophobicContact CG1-CB 4.35Å; V90-L99 HydrophobicContact CG1-CD2 4.46Å; V90-L99 HydrophobicContact CG1-CG 4.4Å; V90-L99 HydrophobicContact CG2-CD2 4.06Å; V90-L102 HydrophobicContact CG2-CD1 3.57Å |
| 91 | I | 96.9 | Very high | 98.1 | Very high | 135 Ų | 135 | 42 Ų | 42 | 69% | 0.692 | 23% | 0.233 | S | C | * | . | S | Bend | trans | -130.5 | 121.9 | -176.5 | -54.9 | 176.6 | 0 | 0 | 0 | 109.1 | ||
| 92 | P | 97.2 | Very high | 98.1 | Very high | 85 Ų | 85 | 39.6 Ų | 39.6 | 55% | 0.552 | 22% | 0.223 | S | C | * | . | S | Bend | cis | -67.7 | 160.1 | -3.5 | 26.3 | -28.5 | 0 | 0 | 0 | 112.2 | V90 G94 D95 | V90-P92 CarbonylContact C-O 3.24Å; V90-P92 CarbonylContact O-C 3.58Å; P92-G94 PolarHBondContact O-N 3.32Å; P92-D95 HydrophobicContact CG-CB 3.93Å; P92-D95 WeakPolarHBondContact O-CB 3.47Å; P92-D95 PolarHBondContact O-N 2.95Å |
| 93 | W | 97.4 | Very high | 98.1 | Very high | 92 Ų | 92 | 40.1 Ų | 40.1 | 35% | 0.348 | 23% | 0.226 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -60.6 | 128.3 | -173.6 | -56.7 | -8.1 | 0 | 0 | 0 | 111 | D95 H115 T116 A141 L142 | W93-D95 PolarHBondContact O-N 3.45Å; W93-H115 AromaticContact CD1-CD2 3.76Å; W93-H115 AromaticContact CD1-NE2 3.57Å; W93-H115 AromaticContact CD2-CD2 3.58Å; W93-H115 AromaticContact CD2-NE2 3.32Å; W93-H115 VanDerWaalsContact CD2-NE2 3.32Å; W93-H115 AromaticContact CE2-CD2 3.75Å; W93-H115 AromaticContact CE2-CE1 3.97Å; W93-H115 AromaticContact CE2-NE2 2.99Å; W93-H115 AromaticContact CE3-NE2 3.9Å; W93-H115 AromaticContact CG-CD2 3.64Å; W93-H115 AromaticContact CG-NE2 3.72Å; W93-H115 AromaticContact CH2-NE2 3.88Å; W93-H115 AromaticContact CZ2-CE1 3.86Å; W93-H115 AromaticContact CZ2-NE2 3.32Å; W93-H115 VanDerWaalsContact CZ2-NE2 3.32Å; W93-H115 WeakPolarHBondContact CZ2-NE2 3.11Å; W93-H115 AromaticContact NE1-CD2 3.85Å; W93-H115 AromaticContact NE1-NE2 3.17Å; W93-H115 PolarHBondContact NE1-NE2 2.86Å; W93-H115 VanDerWaalsContact NE1-NE2 3.17Å; W93-T116 HydrophobicContact CB-CG2 4.13Å; W93-A141 HydrophobicContact CH2-CB 4.09Å; W93-L142 HydrophobicContact CD2-CD1 4.23Å; W93-L142 HydrophobicContact CE3-CD1 3.63Å; W93-L142 HydrophobicContact CE3-CG 4.34Å; W93-L142 HydrophobicContact CH2-CD1 4.11Å; W93-L142 HydrophobicContact CH2-CG 4.02Å; W93-L142 HydrophobicContact CZ3-CB 4.46Å; W93-L142 HydrophobicContact CZ3-CD1 3.56Å; W93-L142 HydrophobicContact CZ3-CG 3.75Å |
| 94 | G | 96.9 | Very high | 98.1 | Very high | 28 Ų | 28 | 46.1 Ų | 46.1 | 29% | 0.289 | 25% | 0.249 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 71.9 | 13.5 | -178.7 | 0 | 0 | 0 | 0 | 0 | 114.7 | P92 M96 | P92-G94 PolarHBondContact O-N 3.32Å; G94-M96 PolarHBondContact O-N 2.75Å |
| 95 | D | 98 | Very high | 98.1 | Very high | 52 Ų | 52 | 52.4 Ų | 52.4 | 28% | 0.278 | 28% | 0.278 | S | S | . | . | trans | -57.1 | 124.1 | 177.1 | 177.8 | 62.3 | 0 | 0 | 0 | 112.1 | V90 P92 W93 A97 S98 L99 | V90-D95 HydrophobicContact CG1-CB 4.35Å; P92-D95 HydrophobicContact CG-CB 3.93Å; P92-D95 WeakPolarHBondContact O-CB 3.47Å; P92-D95 PolarHBondContact O-N 2.95Å; W93-D95 PolarHBondContact O-N 3.45Å; D95-A97 PolarHBondContact O-N 2.82Å; D95-A97 PolarHBondContact OD2-N 3.28Å; D95-S98 PolarHBondContact O-N 2.78Å; D95-S98 VanDerWaalsContact OD2-CB 3.29Å; D95-S98 WeakPolarHBondContact OD2-CB 3.45Å; D95-S98 PolarHBondContact OD2-N 3.35Å; D95-S98 PolarHBondContact OD2-OG 2.88Å; D95-L99 WeakPolarHBondContact O-CB 3.21Å; D95-L99 WeakPolarHBondContact O-CG 3.3Å; D95-L99 PolarHBondContact O-N 3.32Å | ||
| 96 | M | 98.1 | Very high | 98.1 | Very high | 47 Ų | 47 | 53.1 Ų | 53.1 | 23% | 0.232 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -65.6 | -40.6 | -172.9 | -168.4 | 64.2 | -118.1 | 0 | 0 | 112.3 | G94 S98 L99 A100 F122 H124 Y129 | G94-M96 PolarHBondContact O-N 2.75Å; M96-S98 VanDerWaalsContact C-N 3.33Å; M96-S98 PolarHBondContact O-N 3.3Å; M96-L99 HydrophobicContact CE-CB 4.23Å; M96-L99 PolarHBondContact O-N 3.27Å; M96-A100 HydrophobicContact CE-CB 4.19Å; M96-A100 VanDerWaalsContact O-CB 3.23Å; M96-A100 WeakPolarHBondContact O-CB 3.21Å; M96-A100 PolarHBondContact O-N 2.83Å; M96-F122 HydrophobicContact CE-CE2 3.89Å; M96-F122 HydrophobicContact CE-CZ 4.23Å; M96-F122 HydrophobicContact SD-CE2 3.3Å; M96-F122 WeakPolarHBondContact SD-CE2 3.43Å; M96-F122 HydrophobicContact SD-CZ 3.46Å; M96-F122 WeakPolarHBondContact SD-CZ 3.38Å; M96-H124 HydrophobicContact CE-CB 3.93Å; M96-H124 HydrophobicContact SD-CB 4.32Å; M96-Y129 HydrophobicContact CE-CD1 3.77Å; M96-Y129 HydrophobicContact CE-CD2 3.9Å; M96-Y129 HydrophobicContact CE-CE1 3.52Å; M96-Y129 HydrophobicContact CE-CE2 3.69Å; M96-Y129 HydrophobicContact CE-CG 3.95Å; M96-Y129 VanDerWaalsContact CE-CZ 3.47Å |
| 97 | A | 98 | Very high | 98 | Very high | 72 Ų | 72 | 57.9 Ų | 57.9 | 60% | 0.595 | 31% | 0.306 | S | S | * | . | H | α-helix | trans | -64.7 | -41.6 | -180 | 0 | 0 | 0 | 0 | 0 | 111.1 | D95 A100 L101 | D95-A97 PolarHBondContact O-N 2.82Å; D95-A97 PolarHBondContact OD2-N 3.28Å; A97-A100 PolarHBondContact O-N 3.11Å; A97-L101 PolarHBondContact O-N 3.04Å |
| 98 | S | 98.3 | Very high | 98 | Very high | 37 Ų | 37 | 57.7 Ų | 57.7 | 26% | 0.259 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -66.4 | -44 | 176.9 | -58.6 | 0 | 0 | 0 | 0 | 112.3 | D95 M96 A100 L101 L102 | D95-S98 PolarHBondContact O-N 2.78Å; D95-S98 VanDerWaalsContact OD2-CB 3.29Å; D95-S98 WeakPolarHBondContact OD2-CB 3.45Å; D95-S98 PolarHBondContact OD2-N 3.35Å; D95-S98 PolarHBondContact OD2-OG 2.88Å; M96-S98 VanDerWaalsContact C-N 3.33Å; M96-S98 PolarHBondContact O-N 3.3Å; S98-A100 VanDerWaalsContact C-N 3.35Å; S98-L101 WeakPolarHBondContact O-CB 3.29Å; S98-L101 PolarHBondContact O-N 2.76Å; S98-L102 PolarHBondContact O-N 3.45Å; S98-L102 VanDerWaalsContact O-N 3.08Å |
| 99 | L | 98.5 | Very high | 98 | Very high | 7 Ų | 7 | 55.9 Ų | 55.9 | 4% | 0.037 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -62.4 | -42.2 | 174 | -71.8 | 173.7 | 0 | 0 | 0 | 111.5 | V90 D95 M96 L101 L102 Q103 L111 Y129 | V90-L99 HydrophobicContact CG1-CD2 4.46Å; V90-L99 HydrophobicContact CG1-CG 4.4Å; V90-L99 HydrophobicContact CG2-CD2 4.06Å; D95-L99 WeakPolarHBondContact O-CB 3.21Å; D95-L99 WeakPolarHBondContact O-CG 3.3Å; D95-L99 PolarHBondContact O-N 3.32Å; M96-L99 HydrophobicContact CE-CB 4.23Å; M96-L99 PolarHBondContact O-N 3.27Å; L99-L101 VanDerWaalsContact C-N 3.3Å; L99-L101 PolarHBondContact O-N 2.75Å; L99-L102 PolarHBondContact O-N 3.48Å; L99-Q103 PolarHBondContact O-N 3.07Å; L99-L111 HydrophobicContact CB-CD2 4.23Å; L99-L111 HydrophobicContact CD2-CD2 4.06Å; L99-L111 VanDerWaalsContact O-CD2 3.23Å; L99-L111 WeakPolarHBondContact O-CD2 3.49Å; L99-Y129 HydrophobicContact CB-CD1 4.18Å; L99-Y129 HydrophobicContact CB-CE1 4.07Å |
| 100 | A | 98.4 | Very high | 98.1 | Very high | 3 Ų | 3 | 52.5 Ų | 52.5 | 3% | 0.025 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -68.6 | -28.9 | 178.2 | 0 | 0 | 0 | 0 | 0 | 112.5 | M96 A97 S98 R104 Y129 | M96-A100 HydrophobicContact CE-CB 4.19Å; M96-A100 VanDerWaalsContact O-CB 3.23Å; M96-A100 WeakPolarHBondContact O-CB 3.21Å; M96-A100 PolarHBondContact O-N 2.83Å; A97-A100 PolarHBondContact O-N 3.11Å; S98-A100 VanDerWaalsContact C-N 3.35Å; A100-R104 VanDerWaalsContact C-NH1 3.28Å; A100-R104 VanDerWaalsContact O-CG 3.32Å; A100-R104 WeakPolarHBondContact O-CG 3.27Å; A100-R104 PolarHBondContact O-N 3.44Å; A100-R104 PolarHBondContact O-NH1 3.41Å; A100-Y129 WeakPolarHBondContact CA-OH 3.45Å |
| 101 | L | 98.2 | Very high | 98.1 | Very high | 112 Ų | 112 | 52.3 Ų | 52.3 | 59% | 0.586 | 28% | 0.279 | S | S | * | . | H | α-helix | trans | -66.4 | -45.9 | 170.5 | -176.7 | 67.1 | 0 | 0 | 0 | 111.1 | A97 S98 L99 R104 Q105 | A97-L101 PolarHBondContact O-N 3.04Å; S98-L101 WeakPolarHBondContact O-CB 3.29Å; S98-L101 PolarHBondContact O-N 2.76Å; L99-L101 VanDerWaalsContact C-N 3.3Å; L99-L101 PolarHBondContact O-N 2.75Å; L101-R104 PolarHBondContact O-N 3Å; L101-Q105 WeakPolarHBondContact O-CB 3.47Å; L101-Q105 PolarHBondContact O-N 3.4Å |
| 102 | L | 98.4 | Very high | 98.2 | Very high | 27 Ų | 27 | 45.9 Ų | 45.9 | 14% | 0.141 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -62.4 | -42.6 | 176 | -70.9 | 175.3 | 0 | 0 | 0 | 112 | I85 V90 S98 L99 R104 Q105 F106 L111 | I85-L102 HydrophobicContact CD1-CD1 4Å; V90-L102 HydrophobicContact CG2-CD1 3.57Å; S98-L102 PolarHBondContact O-N 3.45Å; S98-L102 VanDerWaalsContact O-N 3.08Å; L99-L102 PolarHBondContact O-N 3.48Å; L102-R104 VanDerWaalsContact C-N 3.3Å; L102-R104 PolarHBondContact O-N 3.06Å; L102-Q105 PolarHBondContact O-N 3.18Å; L102-F106 HydrophobicContact CB-CZ 4.48Å; L102-F106 HydrophobicContact CD2-CE1 4.23Å; L102-F106 HydrophobicContact CD2-CZ 4.06Å; L102-F106 WeakPolarHBondContact O-CB 3.18Å; L102-F106 VanDerWaalsContact O-CG 3.29Å; L102-F106 WeakPolarHBondContact O-CG 3.34Å; L102-F106 PolarHBondContact O-N 2.91Å; L102-L111 HydrophobicContact CB-CD2 4.14Å |
| 103 | Q | 98.4 | Very high | 98.3 | Very high | 12 Ų | 12 | 42.3 Ų | 42.3 | 6% | 0.056 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -56.1 | -46.2 | 175.8 | 177 | -76.9 | -48.2 | 0 | 0 | 111 | L99 D107 V108 L111 K127 Y129 | L99-Q103 PolarHBondContact O-N 3.07Å; Q103-D107 PolarHBondContact O-N 3.33Å; Q103-V108 HydrophobicContact CB-CG2 4.49Å; Q103-V108 HydrophobicContact CG-CG2 4.09Å; Q103-V108 PolarHBondContact NE2-O 3.03Å; Q103-V108 PolarHBondContact O-N 3.39Å; Q103-L111 HydrophobicContact CB-CB 4.33Å; Q103-L111 HydrophobicContact CB-CD2 4.17Å; Q103-K127 HydrophobicContact CG-CB 4.13Å; Q103-K127 HydrophobicContact CG-CG 4.2Å; Q103-Y129 HydrophobicContact CB-CE1 3.92Å; Q103-Y129 WeakPolarHBondContact CB-OH 3.21Å; Q103-Y129 HydrophobicContact CG-CE1 4.35Å |
| 104 | R | 98.4 | Very high | 98.3 | Very high | 126 Ų | 126 | 38 Ų | 38 | 48% | 0.475 | 21% | 0.208 | S | C | . | . | H | α-helix | trans | -66.3 | -43.9 | 176.4 | -70.7 | 174.6 | -177.7 | 90.5 | -7.9 | 112.2 | A100 L101 L102 F106 D107 E125 | A100-R104 VanDerWaalsContact C-NH1 3.28Å; A100-R104 VanDerWaalsContact O-CG 3.32Å; A100-R104 WeakPolarHBondContact O-CG 3.27Å; A100-R104 PolarHBondContact O-N 3.44Å; A100-R104 PolarHBondContact O-NH1 3.41Å; L101-R104 PolarHBondContact O-N 3Å; L102-R104 VanDerWaalsContact C-N 3.3Å; L102-R104 PolarHBondContact O-N 3.06Å; R104-F106 VanDerWaalsContact C-N 3.28Å; R104-F106 PolarHBondContact O-N 3.05Å; R104-D107 PolarHBondContact O-N 3.44Å; R104-D107 VanDerWaalsContact O-N 3.13Å; R104-E125 IonicContact CZ-OE2 3.9Å; R104-E125 IonicContact NH1-OE2 3.18Å; R104-E125 PolarHBondContact NH1-OE2 2.81Å; R104-E125 IonicContact NH2-OE1 3.84Å; R104-E125 PolarHBondContact NH2-OE1 2.93Å; R104-E125 IonicContact NH2-OE2 3Å; R104-E125 PolarHBondContact NH2-OE2 3.28Å |
| 105 | Q | 98.3 | Very high | 98.4 | Very high | 131 Ų | 131 | 37.3 Ų | 37.3 | 61% | 0.612 | 20% | 0.197 | S | C | * | . | H | α-helix | trans | -61.9 | -37.8 | 179.4 | -177.1 | 179.1 | -23.3 | 0 | 0 | 111.9 | L101 L102 D107 | L101-Q105 WeakPolarHBondContact O-CB 3.47Å; L101-Q105 PolarHBondContact O-N 3.4Å; L102-Q105 PolarHBondContact O-N 3.18Å; Q105-D107 VanDerWaalsContact C-N 3.33Å |
| 106 | F | 98.2 | Very high | 98.4 | Very high | 21 Ų | 21 | 36 Ų | 36 | 9% | 0.092 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -82 | -14.5 | 177.9 | -62.3 | -5.5 | 0 | 0 | 0 | 112.9 | Q72 V74 I85 L102 R104 V108 L111 | Q72-F106 HydrophobicContact CB-CE2 4.26Å; Q72-F106 HydrophobicContact CB-CZ 3.9Å; Q72-F106 VanDerWaalsContact CD-CE1 3.42Å; Q72-F106 HydrophobicContact CG-CE1 4.4Å; Q72-F106 HydrophobicContact CG-CZ 4.16Å; V74-F106 HydrophobicContact CG2-CB 3.99Å; V74-F106 HydrophobicContact CG2-CD2 4.5Å; V74-F106 HydrophobicContact CG2-CG 4.3Å; I85-F106 HydrophobicContact CD1-CZ 4.45Å; L102-F106 HydrophobicContact CB-CZ 4.48Å; L102-F106 HydrophobicContact CD2-CE1 4.23Å; L102-F106 HydrophobicContact CD2-CZ 4.06Å; L102-F106 WeakPolarHBondContact O-CB 3.18Å; L102-F106 VanDerWaalsContact O-CG 3.29Å; L102-F106 WeakPolarHBondContact O-CG 3.34Å; L102-F106 PolarHBondContact O-N 2.91Å; R104-F106 VanDerWaalsContact C-N 3.28Å; R104-F106 PolarHBondContact O-N 3.05Å; F106-V108 HydrophobicContact CB-CB 4.46Å; F106-V108 HydrophobicContact CB-CG1 3.65Å; F106-V108 HydrophobicContact CB-CG2 4.09Å; F106-L111 HydrophobicContact CD2-CD1 3.9Å; F106-L111 HydrophobicContact CE2-CD1 4.01Å |
| 107 | D | 98.2 | Very high | 98.4 | Very high | 99 Ų | 99 | 34 Ų | 34 | 53% | 0.529 | 18% | 0.181 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 52.9 | 55.9 | -173.4 | 179.5 | 49.9 | 0 | 0 | 0 | 111.6 | K81 Q103 R104 Q105 | K81-D107 WeakPolarHBondContact CD-O 3.26Å; K81-D107 IonicContact NZ-OD2 2.75Å; K81-D107 PolarHBondContact NZ-OD2 3.44Å; Q103-D107 PolarHBondContact O-N 3.33Å; R104-D107 PolarHBondContact O-N 3.44Å; R104-D107 VanDerWaalsContact O-N 3.13Å; Q105-D107 VanDerWaalsContact C-N 3.33Å |
| 108 | V | 98.5 | Very high | 98.4 | Very high | 0 Ų | 0 | 36.3 Ų | 36.3 | 0% | 0 | 18% | 0.178 | C | C | . | . | trans | -115.6 | 152.5 | -174.8 | -63.1 | 0 | 0 | 0 | 0 | 112.6 | V74 K81 Q103 F106 I110 L111 | V74-V108 HydrophobicContact CG1-CG1 3.82Å; V74-V108 HydrophobicContact CG2-CG1 3.97Å; K81-V108 HydrophobicContact CB-CB 4.35Å; K81-V108 HydrophobicContact CB-CG1 4.24Å; Q103-V108 HydrophobicContact CB-CG2 4.49Å; Q103-V108 HydrophobicContact CG-CG2 4.09Å; Q103-V108 PolarHBondContact NE2-O 3.03Å; Q103-V108 PolarHBondContact O-N 3.39Å; F106-V108 HydrophobicContact CB-CB 4.46Å; F106-V108 HydrophobicContact CB-CG1 3.65Å; F106-V108 HydrophobicContact CB-CG2 4.09Å; V108-I110 WeakPolarHBondContact CG2-O 3.27Å; V108-L111 HydrophobicContact CG2-CB 4.35Å; V108-L111 HydrophobicContact CG2-CD1 4.48Å | ||
| 109 | D | 98.4 | Very high | 98.4 | Very high | 12 Ų | 12 | 35.9 Ų | 35.9 | 6% | 0.064 | 17% | 0.171 | C | C | . | . | S | Bend | trans | -83.9 | -34.5 | 174.5 | -57 | -60.1 | 0 | 0 | 0 | 111.8 | F80 K81 K127 F128 K181 | F80-D109 HydrophobicContact CD1-CB 3.94Å; K81-D109 PolarHBondContact N-OD2 3.47Å; K81-D109 PolarHBondContact O-N 3.24Å; D109-K127 IonicContact OD1-NZ 3.18Å; D109-K127 PolarHBondContact OD1-NZ 3.39Å; D109-F128 PolarHBondContact O-N 3.29Å; D109-K181 VanDerWaalsContact CG-NZ 3.25Å; D109-K181 VanDerWaalsContact OD1-CE 3.23Å; D109-K181 WeakPolarHBondContact OD1-CE 3.06Å; D109-K181 IonicContact OD1-NZ 3.24Å; D109-K181 PolarHBondContact OD1-NZ 2.86Å; D109-K181 IonicContact OD2-NZ 2.72Å; D109-K181 PolarHBondContact OD2-NZ 2.99Å |
| 110 | I | 98.6 | Very high | 98.4 | Very high | 0 Ų | 0 | 38.1 Ų | 38.1 | 0% | 0 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.7 | 128.1 | 179 | -50.8 | -178.8 | 0 | 0 | 0 | 108.2 | F80 K81 I82 G83 V108 I112 F128 I130 M153 V160 Y179 | F80-I110 HydrophobicContact CB-CD1 4.21Å; F80-I110 HydrophobicContact CD1-CD1 3.84Å; F80-I110 HydrophobicContact CD1-CG1 4.01Å; F80-I110 HydrophobicContact CE1-CD1 4.43Å; F80-I110 HydrophobicContact CG-CD1 4.1Å; K81-I110 PolarHBondContact O-N 3.03Å; K81-I110 VanDerWaalsContact O-N 3.14Å; I82-I110 CarbonylContact C-O 3.56Å; I82-I110 WeakPolarHBondContact CA-O 3.44Å; I82-I110 HydrophobicContact CG1-CB 4.26Å; I82-I110 HydrophobicContact CG1-CD1 4.36Å; I82-I110 HydrophobicContact CG2-CB 4.22Å; I82-I110 HydrophobicContact CG2-CG2 4.34Å; G83-I110 PolarHBondContact N-O 2.8Å; V108-I110 WeakPolarHBondContact CG2-O 3.27Å; I110-I112 HydrophobicContact CG2-CG1 4.2Å; I110-F128 CarbonylContact C-O 3.58Å; I110-F128 WeakPolarHBondContact CA-O 3.41Å; I110-F128 HydrophobicContact CG1-CB 4.19Å; I110-F128 HydrophobicContact CG2-CB 4.45Å; I110-F128 HydrophobicContact CG2-CD1 4.21Å; I110-I130 HydrophobicContact CG2-CD1 3.86Å; I110-I130 HydrophobicContact CG2-CG1 4.22Å; I110-M153 HydrophobicContact CD1-SD 4.5Å; I110-V160 HydrophobicContact CD1-CG1 4.13Å; I110-Y179 HydrophobicContact CG1-CE1 4.48Å |
| 111 | L | 98.8 | Very high | 98.4 | Very high | 0 Ų | 0 | 38.9 Ų | 38.9 | 0% | 0 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.5 | 125.1 | 169.8 | -177.3 | 66.7 | 0 | 0 | 0 | 109.7 | I85 L99 L102 Q103 F106 V108 F128 Y129 I130 | I85-L111 HydrophobicContact CG2-CD1 4.48Å; L99-L111 HydrophobicContact CB-CD2 4.23Å; L99-L111 HydrophobicContact CD2-CD2 4.06Å; L99-L111 VanDerWaalsContact O-CD2 3.23Å; L99-L111 WeakPolarHBondContact O-CD2 3.49Å; L102-L111 HydrophobicContact CB-CD2 4.14Å; Q103-L111 HydrophobicContact CB-CB 4.33Å; Q103-L111 HydrophobicContact CB-CD2 4.17Å; F106-L111 HydrophobicContact CD2-CD1 3.9Å; F106-L111 HydrophobicContact CE2-CD1 4.01Å; V108-L111 HydrophobicContact CG2-CB 4.35Å; V108-L111 HydrophobicContact CG2-CD1 4.48Å; L111-F128 PolarHBondContact N-O 2.87Å; L111-Y129 HydrophobicContact CB-CD1 3.96Å; L111-Y129 HydrophobicContact CB-CE1 4.13Å; L111-Y129 HydrophobicContact CD2-CD1 4.05Å; L111-Y129 HydrophobicContact CD2-CE1 3.93Å; L111-Y129 HydrophobicContact CG-CD1 4.5Å; L111-Y129 WeakPolarHBondContact O-CA 3.45Å; L111-I130 PolarHBondContact O-N 2.94Å |
| 112 | I | 98.9 | Very high | 98.3 | Very high | 0 Ų | 0 | 36.6 Ų | 36.6 | 0% | 0 | 17% | 0.173 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.6 | 123.8 | 176.1 | -56.6 | 177.1 | 0 | 0 | 0 | 109.2 | V5 L35 T37 I82 G83 L84 I85 I110 I130 M153 | V5-I112 HydrophobicContact CG1-CD1 3.91Å; V5-I112 HydrophobicContact CG1-CG2 3.49Å; V5-I112 VanDerWaalsContact CG1-CG2 3.49Å; V5-I112 HydrophobicContact CG2-CD1 3.88Å; L35-I112 HydrophobicContact CB-CD1 4.32Å; L35-I112 HydrophobicContact CD1-CD1 3.63Å; T37-I112 HydrophobicContact CG2-CG2 3.75Å; I82-I112 HydrophobicContact CG2-CD1 3.49Å; I82-I112 VanDerWaalsContact CG2-CD1 3.49Å; I82-I112 HydrophobicContact CG2-CG1 3.88Å; G83-I112 PolarHBondContact O-N 3.3Å; L84-I112 WeakPolarHBondContact CA-O 3.5Å; L84-I112 HydrophobicContact CD1-CB 3.82Å; L84-I112 HydrophobicContact CD1-CG2 3.63Å; I85-I112 PolarHBondContact N-O 2.8Å; I110-I112 HydrophobicContact CG2-CG1 4.2Å; I112-I130 VanDerWaalsContact CA-O 3.26Å; I112-I130 WeakPolarHBondContact CA-O 3.46Å; I112-I130 HydrophobicContact CG1-CB 4.3Å; I112-M153 HydrophobicContact CD1-CE 4.12Å |
| 113 | S | 98.9 | Very high | 98.2 | Very high | 11 Ų | 11 | 40.3 Ų | 40.3 | 8% | 0.077 | 19% | 0.19 | C | C | . | . | trans | -130.8 | 161.6 | 173.2 | 62 | 0 | 0 | 0 | 0 | 111.7 | I85 I130 N131 P132 | I85-S113 WeakPolarHBondContact O-CA 3.35Å; S113-I130 PolarHBondContact N-O 2.83Å; S113-N131 WeakPolarHBondContact O-CA 3.3Å; S113-N131 WeakPolarHBondContact O-CB 3.46Å; S113-N131 PolarHBondContact O-ND2 3.44Å; S113-N131 PolarHBondContact O-OD1 3.01Å; S113-P132 VanDerWaalsContact O-CD 3.27Å; S113-P132 WeakPolarHBondContact O-CD 3.32Å | ||
| 114 | G | 98.6 | Very high | 98.2 | Very high | 2 Ų | 2 | 42.9 Ų | 42.9 | 2% | 0.021 | 20% | 0.202 | C | C | . | . | trans | -122.8 | -130.9 | 176.1 | 0 | 0 | 0 | 0 | 0 | 111 | H86 T116 N131 | H86-G114 CarbonylContact O-C 3.59Å; H86-G114 WeakPolarHBondContact O-CA 3.35Å; H86-G114 PolarHBondContact O-N 2.82Å; G114-T116 PolarHBondContact O-N 3Å; G114-N131 PolarHBondContact O-ND2 3.26Å | ||
| 115 | H | 98.5 | Very high | 98.1 | Very high | 12 Ų | 12 | 41.9 Ų | 41.9 | 6% | 0.056 | 20% | 0.202 | C | C | . | . | S | Bend | trans | 70.4 | -42.7 | 169.9 | -171.3 | 62 | 0 | 0 | 0 | 116.4 | D8 H86 H88 W93 H117 | D8-H115 PolarHBondContact OD2-N 3.4Å; H86-H115 AromaticContact CE1-CG 3.92Å; H86-H115 AromaticContact CE1-ND1 3.41Å; H86-H115 PolarHBondContact CE1-ND1 2.93Å; H86-H115 AromaticContact ND1-ND1 3.8Å; H86-H115 WeakPolarHBondContact O-CB 3.22Å; H86-H115 PolarHBondContact O-N 2.78Å; H88-H115 WeakPolarHBondContact CB-ND1 3.48Å; W93-H115 AromaticContact CD1-CD2 3.76Å; W93-H115 AromaticContact CD1-NE2 3.57Å; W93-H115 AromaticContact CD2-CD2 3.58Å; W93-H115 AromaticContact CD2-NE2 3.32Å; W93-H115 VanDerWaalsContact CD2-NE2 3.32Å; W93-H115 AromaticContact CE2-CD2 3.75Å; W93-H115 AromaticContact CE2-CE1 3.97Å; W93-H115 AromaticContact CE2-NE2 2.99Å; W93-H115 AromaticContact CE3-NE2 3.9Å; W93-H115 AromaticContact CG-CD2 3.64Å; W93-H115 AromaticContact CG-NE2 3.72Å; W93-H115 AromaticContact CH2-NE2 3.88Å; W93-H115 AromaticContact CZ2-CE1 3.86Å; W93-H115 AromaticContact CZ2-NE2 3.32Å; W93-H115 VanDerWaalsContact CZ2-NE2 3.32Å; W93-H115 WeakPolarHBondContact CZ2-NE2 3.11Å; W93-H115 AromaticContact NE1-CD2 3.85Å; W93-H115 AromaticContact NE1-NE2 3.17Å; W93-H115 PolarHBondContact NE1-NE2 2.86Å; W93-H115 VanDerWaalsContact NE1-NE2 3.17Å; H115-H117 PolarHBondContact O-CD2 2.92Å; H115-H117 PolarHBondContact O-N 3.1Å |
| 116 | T | 98.2 | Very high | 98 | Very high | 25 Ų | 25 | 40.1 Ų | 40.1 | 15% | 0.153 | 20% | 0.197 | C | C | . | . | S | Bend | trans | -70.5 | -16.6 | 178.5 | 68.4 | 0 | 0 | 0 | 0 | 112.6 | W93 G114 K118 N131 N140 | W93-T116 HydrophobicContact CB-CG2 4.13Å; G114-T116 PolarHBondContact O-N 3Å; T116-K118 PolarHBondContact O-N 3.05Å; T116-K118 PolarHBondContact OG1-N 3.27Å; T116-K118 VanDerWaalsContact OG1-N 3.16Å; T116-K118 PolarHBondContact OG1-O 2.86Å; T116-N131 PolarHBondContact OG1-ND2 3.35Å; T116-N140 PolarHBondContact O-ND2 3.35Å |
| 117 | H | 98.5 | Very high | 98 | Very high | 4 Ų | 4 | 41.4 Ų | 41.4 | 2% | 0.019 | 20% | 0.203 | C | C | . | . | trans | 56.3 | 12.3 | -170.1 | -62 | -157 | 0 | 0 | 0 | 114.2 | D8 H10 H115 A138 Y139 I146 | D8-H117 IonicContact OD1-CD2 3.76Å; D8-H117 IonicContact OD1-NE2 2.97Å; D8-H117 IonicContact OD2-CD2 2.78Å; H10-H117 AromaticContact CD2-CE1 3.62Å; H10-H117 AromaticContact CD2-NE2 3.87Å; H10-H117 AromaticContact NE2-CE1 3.6Å; H10-H117 AromaticContact NE2-NE2 3.46Å; H10-H117 PolarHBondContact NE2-NE2 3.15Å; H115-H117 PolarHBondContact O-CD2 2.92Å; H115-H117 PolarHBondContact O-N 3.1Å; H117-A138 PolarHBondContact CE1-O 2.96Å; H117-A138 PolarHBondContact ND1-O 2.95Å; H117-Y139 PolarHBondContact CE1-O 2.91Å; H117-I146 HydrophobicContact CB-CD1 3.91Å; H117-I146 HydrophobicContact CB-CG1 4.14Å; H117-I146 HydrophobicContact CB-CG2 3.95Å; H117-I146 WeakPolarHBondContact O-CG2 3.34Å | ||
| 118 | K | 97.9 | Very high | 98 | Very high | 121 Ų | 121 | 36.8 Ų | 36.8 | 53% | 0.526 | 18% | 0.178 | S | C | . | . | trans | -111 | 120.5 | -179.2 | -177 | -171.3 | 171.8 | -144.8 | 0 | 108.7 | T116 E120 N131 | T116-K118 PolarHBondContact O-N 3.05Å; T116-K118 PolarHBondContact OG1-N 3.27Å; T116-K118 VanDerWaalsContact OG1-N 3.16Å; T116-K118 PolarHBondContact OG1-O 2.86Å; K118-E120 IonicContact NZ-OE1 2.66Å; K118-E120 PolarHBondContact NZ-OE1 3.5Å; K118-E120 PolarHBondContact O-N 2.89Å; K118-N131 VanDerWaalsContact O-CG 3.27Å; K118-N131 PolarHBondContact O-OD1 2.97Å | ||
| 119 | F | 98.2 | Very high | 98 | Very high | 29 Ų | 29 | 37 Ų | 37 | 13% | 0.127 | 18% | 0.179 | C | C | . | . | trans | -59 | 132 | 173.1 | 160.7 | -98.3 | 0 | 0 | 0 | 110.7 | A121 N131 V151 V164 I177 | F119-A121 HydrophobicContact CE2-CB 3.74Å; F119-A121 HydrophobicContact CZ-CB 3.58Å; F119-N131 VanDerWaalsContact CA-O 3.26Å; F119-N131 WeakPolarHBondContact CA-O 3.5Å; F119-N131 WeakPolarHBondContact CD2-O 3.43Å; F119-V151 HydrophobicContact CD2-CG2 3.89Å; F119-V151 HydrophobicContact CE2-CG2 3.78Å; F119-V164 HydrophobicContact CD1-CG1 3.71Å; F119-V164 HydrophobicContact CD2-CG1 3.48Å; F119-V164 VanDerWaalsContact CD2-CG1 3.48Å; F119-V164 HydrophobicContact CD2-CG2 4.3Å; F119-V164 HydrophobicContact CE1-CB 4.32Å; F119-V164 HydrophobicContact CE1-CG1 3.66Å; F119-V164 HydrophobicContact CE1-CG2 3.96Å; F119-V164 HydrophobicContact CE2-CB 4.04Å; F119-V164 HydrophobicContact CE2-CG1 3.45Å; F119-V164 VanDerWaalsContact CE2-CG1 3.45Å; F119-V164 HydrophobicContact CE2-CG2 3.39Å; F119-V164 HydrophobicContact CG-CG1 3.64Å; F119-V164 HydrophobicContact CZ-CB 3.95Å; F119-V164 HydrophobicContact CZ-CG1 3.56Å; F119-V164 HydrophobicContact CZ-CG2 3.19Å; F119-I177 HydrophobicContact CZ-CD1 4.04Å | ||
| 120 | E | 97.9 | Very high | 98 | Very high | 54 Ų | 54 | 36.6 Ų | 36.6 | 25% | 0.252 | 18% | 0.176 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -143 | 139.9 | 170.2 | -63.2 | -166.6 | 144.2 | 0 | 0 | 109.4 | K118 F122 I130 N131 | K118-E120 IonicContact NZ-OE1 2.66Å; K118-E120 PolarHBondContact NZ-OE1 3.5Å; K118-E120 PolarHBondContact O-N 2.89Å; E120-F122 HydrophobicContact CB-CD1 4.16Å; E120-F122 HydrophobicContact CB-CE1 4.09Å; E120-I130 CarbonylContact O-C 3.57Å; E120-I130 WeakPolarHBondContact O-CA 3.47Å; E120-N131 HydrophobicContact CB-CB 4.25Å; E120-N131 PolarHBondContact N-O 3.28Å; E120-N131 PolarHBondContact O-N 2.9Å |
| 121 | A | 97.7 | Very high | 98 | Very high | 18 Ų | 18 | 36.8 Ų | 36.8 | 15% | 0.149 | 18% | 0.178 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -147.3 | 115.6 | 166.9 | 0 | 0 | 0 | 0 | 0 | 109.4 | F119 F128 Y129 I130 I177 | F119-A121 HydrophobicContact CE2-CB 3.74Å; F119-A121 HydrophobicContact CZ-CB 3.58Å; A121-F128 HydrophobicContact CB-CZ 4.01Å; A121-Y129 VanDerWaalsContact CA-O 3.26Å; A121-Y129 WeakPolarHBondContact CA-O 3.44Å; A121-I130 HydrophobicContact CB-CG1 4.46Å; A121-I177 HydrophobicContact CB-CD1 3.72Å |
| 122 | F | 97 | Very high | 98 | Very high | 65 Ų | 65 | 36.8 Ų | 36.8 | 29% | 0.285 | 18% | 0.178 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -153.5 | 159.3 | -174.4 | 60.9 | -94.6 | 0 | 0 | 0 | 111.7 | M96 E120 H124 F128 Y129 | M96-F122 HydrophobicContact CE-CE2 3.89Å; M96-F122 HydrophobicContact CE-CZ 4.23Å; M96-F122 HydrophobicContact SD-CE2 3.3Å; M96-F122 WeakPolarHBondContact SD-CE2 3.43Å; M96-F122 HydrophobicContact SD-CZ 3.46Å; M96-F122 WeakPolarHBondContact SD-CZ 3.38Å; E120-F122 HydrophobicContact CB-CD1 4.16Å; E120-F122 HydrophobicContact CB-CE1 4.09Å; F122-H124 HydrophobicContact CD2-CB 4.23Å; F122-H124 HydrophobicContact CE2-CB 4.08Å; F122-F128 VanDerWaalsContact O-CD2 3.27Å; F122-F128 WeakPolarHBondContact O-CD2 3.3Å; F122-Y129 HydrophobicContact CD2-CD2 4.38Å; F122-Y129 AromaticContact CE2-CD2 3.88Å; F122-Y129 HydrophobicContact CE2-CD2 3.88Å; F122-Y129 AromaticContact CE2-CG 3.92Å; F122-Y129 HydrophobicContact CE2-CG 3.92Å; F122-Y129 HydrophobicContact CZ-CG 4.16Å; F122-Y129 PolarHBondContact N-O 2.65Å; F122-Y129 PolarHBondContact O-N 3.19Å |
| 123 | E | 97.2 | Very high | 98 | Very high | 104 Ų | 104 | 36.8 Ų | 36.8 | 49% | 0.486 | 18% | 0.178 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.9 | 133.6 | 173.8 | -171.9 | 177.3 | 160 | 0 | 0 | 110.2 | N126 K127 F128 Y179 | E123-N126 WeakPolarHBondContact OE1-CA 3.39Å; E123-K127 CarbonylContact C-O 3.56Å; E123-K127 WeakPolarHBondContact CA-O 3.4Å; E123-F128 HydrophobicContact CB-CD2 4.48Å; E123-Y179 HydrophobicContact CG-CD2 4.17Å; E123-Y179 HydrophobicContact CG-CE2 4.11Å |
| 124 | H | 97.5 | Very high | 98 | Very high | 67 Ų | 67 | 36.3 Ų | 36.3 | 31% | 0.31 | 17% | 0.174 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.6 | 127.4 | 173.9 | -177.4 | 81.8 | 0 | 0 | 0 | 109.3 | M96 F122 N126 K127 Y129 | M96-H124 HydrophobicContact CE-CB 3.93Å; M96-H124 HydrophobicContact SD-CB 4.32Å; F122-H124 HydrophobicContact CD2-CB 4.23Å; F122-H124 HydrophobicContact CE2-CB 4.08Å; H124-N126 VanDerWaalsContact C-N 3.26Å; H124-N126 PolarHBondContact O-N 3.19Å; H124-K127 PolarHBondContact N-O 3.31Å; H124-K127 WeakPolarHBondContact O-CB 3.36Å; H124-K127 PolarHBondContact O-N 3.24Å; H124-Y129 HydrophobicContact CB-CD2 3.97Å; H124-Y129 HydrophobicContact CB-CE2 3.69Å |
| 125 | E | 95.9 | Very high | 98 | Very high | 104 Ų | 104 | 36.2 Ų | 36.2 | 49% | 0.486 | 17% | 0.173 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 51.4 | 42.4 | -177 | -61.3 | 178.8 | 125.8 | 0 | 0 | 113.3 | R104 K127 | R104-E125 IonicContact CZ-OE2 3.9Å; R104-E125 IonicContact NH1-OE2 3.18Å; R104-E125 PolarHBondContact NH1-OE2 2.81Å; R104-E125 IonicContact NH2-OE1 3.84Å; R104-E125 PolarHBondContact NH2-OE1 2.93Å; R104-E125 IonicContact NH2-OE2 3Å; R104-E125 PolarHBondContact NH2-OE2 3.28Å; E125-K127 PolarHBondContact O-N 3.46Å |
| 126 | N | 96.4 | Very high | 97.9 | Very high | 95 Ų | 95 | 36.3 Ų | 36.3 | 51% | 0.508 | 18% | 0.175 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 61.8 | 17.3 | -177.1 | -51.1 | -18.5 | 0 | 0 | 0 | 114.6 | E123 H124 Y179 | E123-N126 WeakPolarHBondContact OE1-CA 3.39Å; H124-N126 VanDerWaalsContact C-N 3.26Å; H124-N126 PolarHBondContact O-N 3.19Å; N126-Y179 PolarHBondContact O-OH 3.3Å |
| 127 | K | 98.1 | Very high | 97.9 | Very high | 47 Ų | 47 | 36 Ų | 36 | 20% | 0.204 | 18% | 0.176 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.3 | 151.5 | 175.8 | -59.4 | -63.4 | -177.4 | -174.3 | 0 | 109.9 | Q103 D109 E123 H124 E125 Y129 | Q103-K127 HydrophobicContact CG-CB 4.13Å; Q103-K127 HydrophobicContact CG-CG 4.2Å; D109-K127 IonicContact OD1-NZ 3.18Å; D109-K127 PolarHBondContact OD1-NZ 3.39Å; E123-K127 CarbonylContact C-O 3.56Å; E123-K127 WeakPolarHBondContact CA-O 3.4Å; H124-K127 PolarHBondContact N-O 3.31Å; H124-K127 WeakPolarHBondContact O-CB 3.36Å; H124-K127 PolarHBondContact O-N 3.24Å; E125-K127 PolarHBondContact O-N 3.46Å; K127-Y129 HydrophobicContact CB-CE2 3.91Å |
| 128 | F | 98.3 | Very high | 97.9 | Very high | 3 Ų | 3 | 35.8 Ų | 35.8 | 1% | 0.013 | 18% | 0.175 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.5 | 132.8 | -173.7 | -160.6 | -127.7 | 0 | 0 | 0 | 111.1 | D109 I110 L111 A121 F122 E123 I130 V160 T162 I177 Y179 | D109-F128 PolarHBondContact O-N 3.29Å; I110-F128 CarbonylContact C-O 3.58Å; I110-F128 WeakPolarHBondContact CA-O 3.41Å; I110-F128 HydrophobicContact CG1-CB 4.19Å; I110-F128 HydrophobicContact CG2-CB 4.45Å; I110-F128 HydrophobicContact CG2-CD1 4.21Å; L111-F128 PolarHBondContact N-O 2.87Å; A121-F128 HydrophobicContact CB-CZ 4.01Å; F122-F128 VanDerWaalsContact O-CD2 3.27Å; F122-F128 WeakPolarHBondContact O-CD2 3.3Å; E123-F128 HydrophobicContact CB-CD2 4.48Å; F128-I130 HydrophobicContact CD1-CD1 3.72Å; F128-I130 HydrophobicContact CD1-CG1 3.7Å; F128-I130 HydrophobicContact CE1-CD1 3.52Å; F128-I130 HydrophobicContact CE1-CG1 3.54Å; F128-I130 HydrophobicContact CZ-CG1 4.34Å; F128-V160 HydrophobicContact CD1-CG1 4.32Å; F128-V160 HydrophobicContact CE1-CG1 4.47Å; F128-T162 WeakPolarHBondContact CE1-OG1 3.39Å; F128-I177 HydrophobicContact CE2-CG2 4.15Å; F128-I177 HydrophobicContact CZ-CG2 3.94Å; F128-Y179 HydrophobicContact CB-CD1 3.54Å; F128-Y179 HydrophobicContact CB-CD2 4.02Å; F128-Y179 HydrophobicContact CB-CE1 3.7Å; F128-Y179 HydrophobicContact CB-CE2 4.18Å; F128-Y179 HydrophobicContact CB-CG 3.71Å; F128-Y179 HydrophobicContact CD1-CD1 4.24Å; F128-Y179 HydrophobicContact CD1-CG 4.3Å; F128-Y179 HydrophobicContact CD2-CD1 4.46Å; F128-Y179 HydrophobicContact CD2-CD2 4.1Å; F128-Y179 AromaticContact CD2-CG 3.84Å; F128-Y179 HydrophobicContact CD2-CG 3.84Å; F128-Y179 AromaticContact CG-CD1 3.86Å; F128-Y179 HydrophobicContact CG-CD1 3.86Å; F128-Y179 HydrophobicContact CG-CD2 4.24Å; F128-Y179 AromaticContact CG-CG 3.71Å; F128-Y179 HydrophobicContact CG-CG 3.71Å |
| 129 | Y | 98.7 | Very high | 97.9 | Very high | 5 Ų | 5 | 35.6 Ų | 35.6 | 2% | 0.02 | 17% | 0.172 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.7 | 131 | -178.5 | -63.8 | -97.9 | 0 | 0 | 0 | 108 | M96 L99 A100 Q103 L111 A121 F122 H124 K127 | M96-Y129 HydrophobicContact CE-CD1 3.77Å; M96-Y129 HydrophobicContact CE-CD2 3.9Å; M96-Y129 HydrophobicContact CE-CE1 3.52Å; M96-Y129 HydrophobicContact CE-CE2 3.69Å; M96-Y129 HydrophobicContact CE-CG 3.95Å; M96-Y129 VanDerWaalsContact CE-CZ 3.47Å; L99-Y129 HydrophobicContact CB-CD1 4.18Å; L99-Y129 HydrophobicContact CB-CE1 4.07Å; A100-Y129 WeakPolarHBondContact CA-OH 3.45Å; Q103-Y129 HydrophobicContact CB-CE1 3.92Å; Q103-Y129 WeakPolarHBondContact CB-OH 3.21Å; Q103-Y129 HydrophobicContact CG-CE1 4.35Å; L111-Y129 HydrophobicContact CB-CD1 3.96Å; L111-Y129 HydrophobicContact CB-CE1 4.13Å; L111-Y129 HydrophobicContact CD2-CD1 4.05Å; L111-Y129 HydrophobicContact CD2-CE1 3.93Å; L111-Y129 HydrophobicContact CG-CD1 4.5Å; L111-Y129 WeakPolarHBondContact O-CA 3.45Å; A121-Y129 VanDerWaalsContact CA-O 3.26Å; A121-Y129 WeakPolarHBondContact CA-O 3.44Å; F122-Y129 HydrophobicContact CD2-CD2 4.38Å; F122-Y129 AromaticContact CE2-CD2 3.88Å; F122-Y129 HydrophobicContact CE2-CD2 3.88Å; F122-Y129 AromaticContact CE2-CG 3.92Å; F122-Y129 HydrophobicContact CE2-CG 3.92Å; F122-Y129 HydrophobicContact CZ-CG 4.16Å; F122-Y129 PolarHBondContact N-O 2.65Å; F122-Y129 PolarHBondContact O-N 3.19Å; H124-Y129 HydrophobicContact CB-CD2 3.97Å; H124-Y129 HydrophobicContact CB-CE2 3.69Å; K127-Y129 HydrophobicContact CB-CE2 3.91Å |
| 130 | I | 98.8 | Very high | 97.8 | Very high | 2 Ų | 2 | 34.9 Ų | 34.9 | 1% | 0.01 | 17% | 0.169 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.8 | 131.9 | -179.4 | -56.6 | 175.2 | 0 | 0 | 0 | 108.9 | I110 L111 I112 S113 E120 A121 F128 V151 M153 T162 | I110-I130 HydrophobicContact CG2-CD1 3.86Å; I110-I130 HydrophobicContact CG2-CG1 4.22Å; L111-I130 PolarHBondContact O-N 2.94Å; I112-I130 VanDerWaalsContact CA-O 3.26Å; I112-I130 WeakPolarHBondContact CA-O 3.46Å; I112-I130 HydrophobicContact CG1-CB 4.3Å; S113-I130 PolarHBondContact N-O 2.83Å; E120-I130 CarbonylContact O-C 3.57Å; E120-I130 WeakPolarHBondContact O-CA 3.47Å; A121-I130 HydrophobicContact CB-CG1 4.46Å; F128-I130 HydrophobicContact CD1-CD1 3.72Å; F128-I130 HydrophobicContact CD1-CG1 3.7Å; F128-I130 HydrophobicContact CE1-CD1 3.52Å; F128-I130 HydrophobicContact CE1-CG1 3.54Å; F128-I130 HydrophobicContact CZ-CG1 4.34Å; I130-V151 HydrophobicContact CG2-CG1 4.29Å; I130-V151 HydrophobicContact CG2-CG2 4.22Å; I130-M153 HydrophobicContact CD1-CG 4.22Å; I130-M153 HydrophobicContact CD1-SD 3.38Å; I130-M153 WeakPolarHBondContact CD1-SD 3.15Å; I130-T162 HydrophobicContact CD1-CG2 4.45Å |
| 131 | N | 98.8 | Very high | 97.8 | Very high | 5 Ų | 5 | 36.5 Ų | 36.5 | 3% | 0.027 | 19% | 0.192 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.9 | 118.9 | 160.2 | -170.9 | -39.1 | 0 | 0 | 0 | 108.3 | S113 G114 T116 K118 F119 E120 G133 | S113-N131 WeakPolarHBondContact O-CA 3.3Å; S113-N131 WeakPolarHBondContact O-CB 3.46Å; S113-N131 PolarHBondContact O-ND2 3.44Å; S113-N131 PolarHBondContact O-OD1 3.01Å; G114-N131 PolarHBondContact O-ND2 3.26Å; T116-N131 PolarHBondContact OG1-ND2 3.35Å; K118-N131 VanDerWaalsContact O-CG 3.27Å; K118-N131 PolarHBondContact O-OD1 2.97Å; F119-N131 VanDerWaalsContact CA-O 3.26Å; F119-N131 WeakPolarHBondContact CA-O 3.5Å; F119-N131 WeakPolarHBondContact CD2-O 3.43Å; E120-N131 HydrophobicContact CB-CB 4.25Å; E120-N131 PolarHBondContact N-O 3.28Å; E120-N131 PolarHBondContact O-N 2.9Å; N131-G133 PolarHBondContact O-N 3.19Å; N131-G133 PolarHBondContact OD1-N 3.27Å |
| 132 | P | 98.7 | Very high | 97.7 | Very high | 0 Ų | 0 | 42.1 Ų | 42.1 | 0% | 0 | 22% | 0.219 | C | C | . | . | trans | -72.4 | -11.3 | -178.1 | 32.2 | -36.3 | 0 | 0 | 0 | 113.2 | V5 T37 S113 S149 V151 | V5-P132 HydrophobicContact CB-CB 4.48Å; V5-P132 HydrophobicContact CG1-CB 4.02Å; V5-P132 HydrophobicContact CG1-CG 3.99Å; V5-P132 WeakPolarHBondContact O-CB 3.26Å; T37-P132 HydrophobicContact CG2-CG 4.06Å; S113-P132 VanDerWaalsContact O-CD 3.27Å; S113-P132 WeakPolarHBondContact O-CD 3.32Å; P132-S149 CarbonylContact O-C 3.57Å; P132-S149 VanDerWaalsContact O-C 3.24Å; P132-S149 WeakPolarHBondContact O-CB 3.16Å; P132-S149 PolarHBondContact O-OG 3.38Å; P132-V151 HydrophobicContact CB-CB 4.43Å; P132-V151 HydrophobicContact CB-CG2 4.34Å | ||
| 133 | G | 98.5 | Very high | 97.6 | Very high | 0 Ų | 0 | 43.1 Ų | 43.1 | 0% | 0 | 23% | 0.225 | C | C | . | . | trans | 73 | -168 | -166.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | N131 | N131-G133 PolarHBondContact O-N 3.19Å; N131-G133 PolarHBondContact OD1-N 3.27Å | ||
| 134 | S | 98.7 | Very high | 97.5 | Very high | 0 Ų | 0 | 43 Ų | 43 | 0% | 0 | 23% | 0.231 | C | C | . | . | trans | -88 | 122.6 | 172.9 | 170.6 | 0 | 0 | 0 | 0 | 110.6 | D8 T136 G137 A138 P148 S149 | D8-S134 WeakPolarHBondContact O-CB 3.23Å; D8-S134 PolarHBondContact O-OG 2.87Å; S134-T136 PolarHBondContact O-N 3.16Å; S134-T136 PolarHBondContact OG-N 2.78Å; S134-T136 PolarHBondContact OG-OG1 3.23Å; S134-G137 PolarHBondContact O-N 3.46Å; S134-G137 PolarHBondContact OG-N 3.44Å; S134-G137 VanDerWaalsContact OG-N 3.14Å; S134-A138 PolarHBondContact OG-N 3.03Å; S134-P148 CarbonylContact O-C 3.55Å; S134-P148 VanDerWaalsContact O-CA 3.28Å; S134-P148 WeakPolarHBondContact O-CA 3.23Å; S134-S149 CarbonylContact C-O 3.44Å; S134-S149 PolarHBondContact O-N 2.93Å | ||
| 135 | A | 98.4 | Very high | 97.5 | Very high | 1 Ų | 1 | 46.3 Ų | 46.3 | 1% | 0.008 | 25% | 0.251 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -67.6 | -19.4 | -179.7 | 0 | 0 | 0 | 0 | 0 | 113.9 | L6 G7 L9 L18 P19 S149 | L6-A135 HydrophobicContact CB-CB 4.18Å; G7-A135 PolarHBondContact O-N 3.24Å; G7-A135 VanDerWaalsContact O-N 3.1Å; L9-A135 HydrophobicContact CD1-CB 3.87Å; L18-A135 HydrophobicContact CD2-CB 3.56Å; P19-A135 VanDerWaalsContact CD-O 3.27Å; P19-A135 WeakPolarHBondContact CD-O 3.41Å; A135-S149 WeakPolarHBondContact CA-O 3.28Å; A135-S149 PolarHBondContact N-O 3.38Å |
| 136 | T | 98 | Very high | 97.5 | Very high | 14 Ų | 14 | 42.5 Ų | 42.5 | 9% | 0.086 | 23% | 0.234 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -102.2 | -12.6 | 178.8 | 50.4 | 0 | 0 | 0 | 0 | 113.1 | D8 L9 I11 C15 L18 S134 A138 | D8-T136 PolarHBondContact O-OG1 3.17Å; L9-T136 HydrophobicContact CB-CG2 4.24Å; L9-T136 HydrophobicContact CG-CG2 4.08Å; L9-T136 WeakPolarHBondContact O-CG2 3.47Å; L9-T136 PolarHBondContact O-OG1 3.46Å; I11-T136 HydrophobicContact CD1-CG2 3.91Å; I11-T136 HydrophobicContact CG1-CG2 4.09Å; C15-T136 HydrophobicContact CB-CG2 4.05Å; L18-T136 HydrophobicContact CG-CG2 4.46Å; S134-T136 PolarHBondContact O-N 3.16Å; S134-T136 PolarHBondContact OG-N 2.78Å; S134-T136 PolarHBondContact OG-OG1 3.23Å; T136-A138 VanDerWaalsContact C-N 3.31Å; T136-A138 PolarHBondContact OG1-N 3.13Å |
| 137 | G | 97.7 | Very high | 97.6 | Very high | 17 Ų | 17 | 41.6 Ų | 41.6 | 18% | 0.175 | 23% | 0.228 | C | C | . | . | trans | 70.3 | 29.2 | -168.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | S134 | S134-G137 PolarHBondContact O-N 3.46Å; S134-G137 PolarHBondContact OG-N 3.44Å; S134-G137 VanDerWaalsContact OG-N 3.14Å | ||
| 138 | A | 98 | Very high | 97.6 | Very high | 1 Ų | 1 | 40.3 Ų | 40.3 | 1% | 0.008 | 22% | 0.224 | C | C | . | . | trans | -58.5 | 141.1 | 176.2 | 0 | 0 | 0 | 0 | 0 | 110.2 | H10 R14 C15 H117 S134 T136 I146 | H10-A138 HydrophobicContact CB-CB 4.01Å; R14-A138 HydrophobicContact CB-CB 4.07Å; C15-A138 VanDerWaalsContact SG-CA 3.6Å; H117-A138 PolarHBondContact CE1-O 2.96Å; H117-A138 PolarHBondContact ND1-O 2.95Å; S134-A138 PolarHBondContact OG-N 3.03Å; T136-A138 VanDerWaalsContact C-N 3.31Å; T136-A138 PolarHBondContact OG1-N 3.13Å; A138-I146 VanDerWaalsContact O-CG1 3.32Å; A138-I146 WeakPolarHBondContact O-CG1 3.46Å | ||
| 139 | Y | 97.8 | Very high | 97.7 | Very high | 117 Ų | 117 | 40.2 Ų | 40.2 | 46% | 0.459 | 22% | 0.224 | S | C | . | . | trans | -64.1 | 158.1 | 171 | 70.8 | -90.8 | 0 | 0 | 0 | 110.6 | R14 H117 | R14-Y139 HydrophobicContact CB-CD1 4.1Å; R14-Y139 HydrophobicContact CB-CE1 3.76Å; R14-Y139 WeakPolarHBondContact CD-O 3.3Å; R14-Y139 HydrophobicContact CG-CD1 4.1Å; R14-Y139 HydrophobicContact CG-CE1 3.45Å; R14-Y139 VanDerWaalsContact CG-CE1 3.45Å; R14-Y139 PolarHBondContact NH1-O 3.25Å; H117-Y139 PolarHBondContact CE1-O 2.91Å | ||
| 140 | N | 97.2 | Very high | 97.7 | Very high | 13 Ų | 13 | 40.1 Ų | 40.1 | 7% | 0.07 | 22% | 0.224 | C | C | . | . | trans | -121.1 | -176 | 166.4 | 68.8 | 42.1 | 0 | 0 | 0 | 110.3 | T116 L142 E143 | T116-N140 PolarHBondContact O-ND2 3.35Å; N140-L142 PolarHBondContact O-N 3.08Å; N140-L142 WeakPolarHBondContact OD1-CA 3.27Å; N140-L142 PolarHBondContact OD1-N 3.3Å; N140-E143 PolarHBondContact N-O 3.44Å; N140-E143 PolarHBondContact OD1-N 2.88Å | ||
| 141 | A | 96.3 | Very high | 97.7 | Very high | 89 Ų | 89 | 40 Ų | 40 | 74% | 0.736 | 22% | 0.224 | S | C | * | . | S | Bend | trans | -68.2 | -15 | -176.2 | 0 | 0 | 0 | 0 | 0 | 114.4 | W93 | W93-A141 HydrophobicContact CH2-CB 4.09Š|
| 142 | L | 95.6 | Very high | 97.6 | Very high | 135 Ų | 135 | 41 Ų | 41 | 71% | 0.707 | 23% | 0.229 | S | C | * | . | S | Bend | trans | -112.4 | -25.9 | -175.2 | -57.5 | -180 | 0 | 0 | 0 | 113.2 | W93 N140 | W93-L142 HydrophobicContact CD2-CD1 4.23Å; W93-L142 HydrophobicContact CE3-CD1 3.63Å; W93-L142 HydrophobicContact CE3-CG 4.34Å; W93-L142 HydrophobicContact CH2-CD1 4.11Å; W93-L142 HydrophobicContact CH2-CG 4.02Å; W93-L142 HydrophobicContact CZ3-CB 4.46Å; W93-L142 HydrophobicContact CZ3-CD1 3.56Å; W93-L142 HydrophobicContact CZ3-CG 3.75Å; N140-L142 PolarHBondContact O-N 3.08Å; N140-L142 WeakPolarHBondContact OD1-CA 3.27Å; N140-L142 PolarHBondContact OD1-N 3.3Å |
| 143 | E | 95.6 | Very high | 97.6 | Very high | 87 Ų | 87 | 41 Ų | 41 | 41% | 0.407 | 23% | 0.229 | S | C | . | . | trans | -139.5 | 134.1 | -170.7 | -176.5 | 61.1 | -113 | 0 | 0 | 111.1 | N140 N145 I146 | N140-E143 PolarHBondContact N-O 3.44Å; N140-E143 PolarHBondContact OD1-N 2.88Å; E143-N145 PolarHBondContact OE1-N 2.75Å; E143-N145 VanDerWaalsContact OE1-N 3.11Å; E143-I146 HydrophobicContact CB-CD1 3.82Å; E143-I146 HydrophobicContact CG-CD1 3.42Å; E143-I146 VanDerWaalsContact CG-CD1 3.42Å; E143-I146 HydrophobicContact CG-CG1 4.28Å | ||
| 144 | T | 95.7 | Very high | 97.6 | Very high | 101 Ų | 101 | 42.5 Ų | 42.5 | 62% | 0.62 | 24% | 0.237 | S | C | * | . | S | Bend | trans | -104 | -26.9 | -179.5 | 54.4 | 0 | 0 | 0 | 0 | 112.7 | I146 | T144-I146 PolarHBondContact O-N 3.49Š|
| 145 | N | 95.8 | Very high | 97.5 | Very high | 136 Ų | 136 | 42.7 Ų | 42.7 | 73% | 0.727 | 24% | 0.237 | S | C | * | . | trans | -98.4 | 76 | -177.4 | -64.1 | -57.5 | 0 | 0 | 0 | 110.7 | E143 | E143-N145 PolarHBondContact OE1-N 2.75Å; E143-N145 VanDerWaalsContact OE1-N 3.11Å | ||
| 146 | I | 97.8 | Very high | 97.4 | Very high | 25 Ų | 25 | 48.5 Ų | 48.5 | 13% | 0.128 | 26% | 0.264 | C | S | . | . | P | Polyproline II helix | trans | -94 | 131.7 | -179.8 | -59.2 | -62.2 | 0 | 0 | 0 | 110.7 | H117 A138 E143 T144 P148 | H117-I146 HydrophobicContact CB-CD1 3.91Å; H117-I146 HydrophobicContact CB-CG1 4.14Å; H117-I146 HydrophobicContact CB-CG2 3.95Å; H117-I146 WeakPolarHBondContact O-CG2 3.34Å; A138-I146 VanDerWaalsContact O-CG1 3.32Å; A138-I146 WeakPolarHBondContact O-CG1 3.46Å; E143-I146 HydrophobicContact CB-CD1 3.82Å; E143-I146 HydrophobicContact CG-CD1 3.42Å; E143-I146 VanDerWaalsContact CG-CD1 3.42Å; E143-I146 HydrophobicContact CG-CG1 4.28Å; T144-I146 PolarHBondContact O-N 3.49Å; I146-P148 WeakPolarHBondContact O-CD 3.39Å |
| 147 | I | 98.1 | Very high | 97.2 | Very high | 76 Ų | 76 | 51.1 Ų | 51.1 | 39% | 0.39 | 29% | 0.287 | S | S | . | . | P | Polyproline II helix | trans | -80.5 | 118.3 | 173 | -64.5 | 172.2 | 0 | 0 | 0 | 108.4 | S149 Q166 I168 | I147-S149 PolarHBondContact O-N 3.22Å; I147-S149 PolarHBondContact O-OG 3.23Å; I147-Q166 HydrophobicContact CG2-CB 3.92Å; I147-I168 HydrophobicContact CG2-CG1 4.35Å |
| 148 | P | 98.5 | Very high | 97.1 | Very high | 19 Ų | 19 | 51.8 Ų | 51.8 | 12% | 0.123 | 29% | 0.289 | C | S | . | . | P | Polyproline II helix | trans | -56 | 131.1 | 174.4 | -21.2 | 30 | 0 | 0 | 0 | 110.6 | P19 F22 S134 I146 Q166 L167 | P19-P148 HydrophobicContact CG-CB 3.87Å; P19-P148 HydrophobicContact CG-CG 4.18Å; F22-P148 HydrophobicContact CE2-CB 3.72Å; F22-P148 HydrophobicContact CZ-CB 4.2Å; F22-P148 WeakPolarHBondContact CZ-O 3.16Å; S134-P148 CarbonylContact O-C 3.55Å; S134-P148 VanDerWaalsContact O-CA 3.28Å; S134-P148 WeakPolarHBondContact O-CA 3.23Å; I146-P148 WeakPolarHBondContact O-CD 3.39Å; P148-Q166 WeakPolarHBondContact O-CA 3.34Å; P148-L167 HydrophobicContact CB-CB 4.06Å; P148-L167 HydrophobicContact CG-CB 4.18Å; P148-L167 HydrophobicContact CG-CD2 4.27Å; P148-L167 PolarHBondContact O-N 3.44Å |
| 149 | S | 98.7 | Very high | 97.1 | Very high | 1 Ų | 1 | 53.3 Ų | 53.3 | 1% | 0.007 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -151.2 | 150.2 | -177.4 | 44.3 | 0 | 0 | 0 | 0 | 114.2 | P132 S134 A135 I147 Y165 | P132-S149 CarbonylContact O-C 3.57Å; P132-S149 VanDerWaalsContact O-C 3.24Å; P132-S149 WeakPolarHBondContact O-CB 3.16Å; P132-S149 PolarHBondContact O-OG 3.38Å; S134-S149 CarbonylContact C-O 3.44Å; S134-S149 PolarHBondContact O-N 2.93Å; A135-S149 WeakPolarHBondContact CA-O 3.28Å; A135-S149 PolarHBondContact N-O 3.38Å; I147-S149 PolarHBondContact O-N 3.22Å; I147-S149 PolarHBondContact O-OG 3.23Å; S149-Y165 WeakPolarHBondContact CA-O 3.45Å; S149-Y165 WeakPolarHBondContact CB-O 3.42Å |
| 150 | F | 98.6 | Very high | 97.1 | Very high | 4 Ų | 4 | 47.8 Ų | 47.8 | 2% | 0.018 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.2 | 166.7 | 169 | 71.9 | -89.7 | 0 | 0 | 0 | 110 | L4 L6 F22 L26 Y165 | L4-F150 HydrophobicContact CD1-CD2 3.56Å; L4-F150 HydrophobicContact CD1-CE2 4.03Å; L4-F150 HydrophobicContact CD1-CG 4.44Å; L6-F150 HydrophobicContact CB-CB 4.09Å; F22-F150 HydrophobicContact CB-CD1 4.47Å; F22-F150 HydrophobicContact CB-CE1 4.02Å; F22-F150 HydrophobicContact CD1-CD1 4.25Å; F22-F150 AromaticContact CD1-CE1 3.69Å; F22-F150 HydrophobicContact CD1-CE1 3.69Å; F22-F150 AromaticContact CD2-CD1 3.68Å; F22-F150 HydrophobicContact CD2-CD1 3.68Å; F22-F150 AromaticContact CD2-CE1 3.9Å; F22-F150 HydrophobicContact CD2-CE1 3.9Å; F22-F150 HydrophobicContact CE1-CD1 4.35Å; F22-F150 HydrophobicContact CE1-CE1 4.01Å; F22-F150 AromaticContact CE2-CD1 3.79Å; F22-F150 HydrophobicContact CE2-CD1 3.79Å; F22-F150 HydrophobicContact CE2-CE1 4.21Å; F22-F150 AromaticContact CG-CD1 3.91Å; F22-F150 HydrophobicContact CG-CD1 3.91Å; F22-F150 AromaticContact CG-CE1 3.62Å; F22-F150 HydrophobicContact CG-CE1 3.62Å; F22-F150 HydrophobicContact CZ-CD1 4.11Å; F22-F150 HydrophobicContact CZ-CE1 4.25Å; L26-F150 HydrophobicContact CD2-CD2 4.33Å; L26-F150 HydrophobicContact CD2-CE2 3.8Å; L26-F150 HydrophobicContact CD2-CZ 4.02Å; L26-F150 HydrophobicContact CG-CZ 4.34Å; F150-Y165 HydrophobicContact CD2-CD2 4.08Å; F150-Y165 VanDerWaalsContact CE1-CB 3.44Å; F150-Y165 HydrophobicContact CE1-CD2 4.34Å; F150-Y165 AromaticContact CE1-CG 3.89Å; F150-Y165 HydrophobicContact CE1-CG 3.89Å; F150-Y165 AromaticContact CE2-CD2 3.4Å; F150-Y165 HydrophobicContact CE2-CD2 3.4Å; F150-Y165 AromaticContact CE2-CE2 4Å; F150-Y165 HydrophobicContact CE2-CE2 4Å; F150-Y165 AromaticContact CE2-CG 3.79Å; F150-Y165 HydrophobicContact CE2-CG 3.79Å; F150-Y165 HydrophobicContact CZ-CD1 4.02Å; F150-Y165 AromaticContact CZ-CD2 3.56Å; F150-Y165 HydrophobicContact CZ-CD2 3.56Å; F150-Y165 HydrophobicContact CZ-CE2 4.26Å; F150-Y165 AromaticContact CZ-CG 3.42Å; F150-Y165 HydrophobicContact CZ-CG 3.42Å; F150-Y165 VanDerWaalsContact CZ-CG 3.42Å; F150-Y165 PolarHBondContact N-O 2.83Å; F150-Y165 PolarHBondContact O-N 3.14Å |
| 151 | V | 98.6 | Very high | 97.1 | Very high | 0 Ų | 0 | 47.9 Ų | 47.9 | 0% | 0 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122 | 140.3 | -176.6 | 165.1 | 0 | 0 | 0 | 0 | 110.7 | V5 F119 I130 P132 M153 T162 Y163 V164 | V5-V151 HydrophobicContact CB-CB 4.09Å; V5-V151 HydrophobicContact CB-CG1 4.29Å; V5-V151 HydrophobicContact CG2-CG1 4.41Å; V5-V151 PolarHBondContact N-O 3.46Å; V5-V151 PolarHBondContact O-N 3.21Å; F119-V151 HydrophobicContact CD2-CG2 3.89Å; F119-V151 HydrophobicContact CE2-CG2 3.78Å; I130-V151 HydrophobicContact CG2-CG1 4.29Å; I130-V151 HydrophobicContact CG2-CG2 4.22Å; P132-V151 HydrophobicContact CB-CB 4.43Å; P132-V151 HydrophobicContact CB-CG2 4.34Å; V151-M153 HydrophobicContact CG1-CG 3.98Å; V151-T162 HydrophobicContact CG1-CG2 3.44Å; V151-T162 VanDerWaalsContact CG1-CG2 3.44Å; V151-Y163 CarbonylContact C-O 3.5Å; V151-Y163 WeakPolarHBondContact CA-O 3.38Å; V151-V164 HydrophobicContact CG2-CG1 4.46Å; V151-V164 HydrophobicContact CG2-CG2 4.4Å |
| 152 | L | 98.1 | Very high | 97.2 | Very high | 26 Ų | 26 | 43.7 Ų | 43.7 | 14% | 0.136 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.4 | 116.7 | 168.8 | -169.6 | 74 | 0 | 0 | 0 | 108.7 | L2 V3 L4 I31 Y163 Y165 | L2-L152 HydrophobicContact CB-CD1 4.48Å; L2-L152 HydrophobicContact CD2-CD2 4.16Å; L2-L152 HydrophobicContact CD2-CG 4.31Å; V3-L152 WeakPolarHBondContact O-CA 3.47Å; L4-L152 HydrophobicContact CB-CD1 4.23Å; I31-L152 HydrophobicContact CG1-CD1 4.34Å; L152-Y163 PolarHBondContact N-O 3.28Å; L152-Y163 PolarHBondContact O-N 3.34Å; L152-Y165 HydrophobicContact CB-CE2 4.01Å |
| 153 | M | 98.3 | Very high | 97.3 | Very high | 0 Ų | 0 | 40.7 Ų | 40.7 | 0% | 0 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.2 | 127.3 | 176 | -60.7 | -174.2 | -61 | 0 | 0 | 109.9 | L2 V3 V5 L35 I82 I110 I112 I130 V151 I155 V160 V161 | L2-M153 CarbonylContact C-O 3.51Å; L2-M153 WeakPolarHBondContact CA-O 3.4Å; V3-M153 HydrophobicContact CB-CB 4.28Å; V3-M153 HydrophobicContact CB-CE 3.83Å; V3-M153 HydrophobicContact CG1-CE 3.69Å; V3-M153 HydrophobicContact CG2-CE 4.48Å; V3-M153 PolarHBondContact N-O 2.72Å; V3-M153 PolarHBondContact O-N 2.87Å; V5-M153 HydrophobicContact CG2-CE 3.59Å; V5-M153 HydrophobicContact CG2-CG 4.31Å; V5-M153 HydrophobicContact CG2-SD 4.26Å; L35-M153 HydrophobicContact CD1-CE 4.32Å; I82-M153 HydrophobicContact CD1-CE 4.03Å; I110-M153 HydrophobicContact CD1-SD 4.5Å; I112-M153 HydrophobicContact CD1-CE 4.12Å; I130-M153 HydrophobicContact CD1-CG 4.22Å; I130-M153 HydrophobicContact CD1-SD 3.38Å; I130-M153 WeakPolarHBondContact CD1-SD 3.15Å; V151-M153 HydrophobicContact CG1-CG 3.98Å; M153-I155 HydrophobicContact CB-CG1 4.41Å; M153-I155 HydrophobicContact CE-CD1 4.43Å; M153-V160 HydrophobicContact CB-CG2 3.77Å; M153-V160 HydrophobicContact CG-CG2 4.12Å; M153-V160 HydrophobicContact SD-CG2 4.16Å; M153-V161 CarbonylContact C-O 3.51Å; M153-V161 WeakPolarHBondContact CA-O 3.28Å |
| 154 | D | 97.6 | Very high | 97.5 | Very high | 31 Ų | 31 | 36.5 Ų | 36.5 | 17% | 0.166 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.2 | 107.6 | 163.1 | -172.6 | 17.9 | 0 | 0 | 0 | 110.1 | M1 L2 Q156 V160 V161 Y163 | M1-D154 PolarHBondContact N-OD1 3.3Å; M1-D154 WeakPolarHBondContact O-CA 3.42Å; L2-D154 HydrophobicContact CD2-CB 3.77Å; D154-Q156 PolarHBondContact OD2-NE2 3.46Å; D154-V160 WeakPolarHBondContact O-CA 3.46Å; D154-V161 HydrophobicContact CB-CB 4.49Å; D154-V161 PolarHBondContact N-O 3.22Å; D154-V161 PolarHBondContact O-N 3.06Å; D154-Y163 HydrophobicContact CB-CE2 4.39Å |
| 155 | I | 97.3 | Very high | 97.6 | Very high | 3 Ų | 3 | 33.7 Ų | 33.7 | 2% | 0.015 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.2 | 118.1 | -179.1 | -64.7 | 172.5 | 0 | 0 | 0 | 109.5 | M1 V3 V77 F80 I82 M153 V160 | M1-I155 HydrophobicContact CB-CB 4.49Å; M1-I155 HydrophobicContact CE-CG2 4.19Å; M1-I155 PolarHBondContact N-O 2.84Å; M1-I155 PolarHBondContact O-N 2.75Å; V3-I155 HydrophobicContact CG2-CD1 3.94Å; V77-I155 HydrophobicContact CB-CD1 3.91Å; V77-I155 HydrophobicContact CG1-CD1 3.74Å; F80-I155 HydrophobicContact CD2-CG2 3.6Å; F80-I155 HydrophobicContact CE2-CG2 3.89Å; I82-I155 HydrophobicContact CD1-CD1 3.92Å; M153-I155 HydrophobicContact CB-CG1 4.41Å; M153-I155 HydrophobicContact CE-CD1 4.43Å; I155-V160 HydrophobicContact CG1-CB 4.18Å; I155-V160 HydrophobicContact CG1-CG2 3.68Å |
| 156 | Q | 95.7 | Very high | 97.7 | Very high | 123 Ų | 123 | 28.6 Ų | 28.6 | 58% | 0.575 | 15% | 0.154 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -134.9 | 121 | 176.6 | -59.3 | -171.9 | 13.9 | 0 | 0 | 110.2 | D154 S158 T159 | D154-Q156 PolarHBondContact OD2-NE2 3.46Å; Q156-S158 PolarHBondContact O-N 2.72Å; Q156-S158 VanDerWaalsContact O-N 3.12Å; Q156-T159 PolarHBondContact N-O 2.93Å; Q156-T159 PolarHBondContact O-N 2.98Å; Q156-T159 VanDerWaalsContact O-O 3.06Å |
| 157 | A | 94.3 | Very high | 97.7 | Very high | 69 Ų | 69 | 28.6 Ų | 28.6 | 57% | 0.57 | 15% | 0.154 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 50.2 | -115.3 | -174.9 | 0 | 0 | 0 | 0 | 0 | 112 | Q79 | Q79-A157 WeakPolarHBondContact CB-O 3.15Å; Q79-A157 WeakPolarHBondContact CG-O 3.31Å |
| 158 | S | 95.8 | Very high | 97.6 | Very high | 31 Ų | 31 | 28.9 Ų | 28.9 | 22% | 0.217 | 16% | 0.156 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -102.6 | 14.9 | 179.7 | 70.3 | 0 | 0 | 0 | 0 | 113.2 | F80 Q156 K180 K181 | F80-S158 VanDerWaalsContact CZ-C 3.41Å; F80-S158 WeakPolarHBondContact CZ-O 3.32Å; Q156-S158 PolarHBondContact O-N 2.72Å; Q156-S158 VanDerWaalsContact O-N 3.12Å; S158-K180 WeakPolarHBondContact O-CA 3.4Å; S158-K181 PolarHBondContact O-N 3.01Å |
| 159 | T | 97.6 | Very high | 97.2 | Very high | 34 Ų | 34 | 31.3 Ų | 31.3 | 21% | 0.209 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.5 | 139.5 | -179.8 | -58.6 | 0 | 0 | 0 | 0 | 110.1 | Q156 V161 E178 Y179 | Q156-T159 PolarHBondContact N-O 2.93Å; Q156-T159 PolarHBondContact O-N 2.98Å; Q156-T159 VanDerWaalsContact O-O 3.06Å; T159-V161 HydrophobicContact CG2-CG2 4.47Å; T159-E178 HydrophobicContact CG2-CG 3.8Å; T159-Y179 WeakPolarHBondContact CA-O 2.86Å |
| 160 | V | 97.8 | Very high | 96.8 | Very high | 0 Ų | 0 | 37.4 Ų | 37.4 | 0% | 0 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.9 | 126.9 | 167.7 | 65.3 | 0 | 0 | 0 | 0 | 109.5 | F80 I110 F128 M153 D154 I155 Y179 | F80-V160 HydrophobicContact CE2-CB 4.39Å; F80-V160 HydrophobicContact CZ-CB 4.24Å; F80-V160 HydrophobicContact CZ-CG1 4.38Å; I110-V160 HydrophobicContact CD1-CG1 4.13Å; F128-V160 HydrophobicContact CD1-CG1 4.32Å; F128-V160 HydrophobicContact CE1-CG1 4.47Å; M153-V160 HydrophobicContact CB-CG2 3.77Å; M153-V160 HydrophobicContact CG-CG2 4.12Å; M153-V160 HydrophobicContact SD-CG2 4.16Å; D154-V160 WeakPolarHBondContact O-CA 3.46Å; I155-V160 HydrophobicContact CG1-CB 4.18Å; I155-V160 HydrophobicContact CG1-CG2 3.68Å; V160-Y179 HydrophobicContact CG1-CD1 3.62Å; V160-Y179 HydrophobicContact CG1-CG 4.14Å; V160-Y179 PolarHBondContact N-O 2.58Å; V160-Y179 PolarHBondContact O-N 3.11Å |
| 161 | V | 98.1 | Very high | 96.7 | Very high | 16 Ų | 16 | 42.6 Ų | 42.6 | 10% | 0.097 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.2 | 116.8 | 170.1 | -177.2 | 0 | 0 | 0 | 0 | 107.7 | M153 D154 T159 Y163 R176 E178 | M153-V161 CarbonylContact C-O 3.51Å; M153-V161 WeakPolarHBondContact CA-O 3.28Å; D154-V161 HydrophobicContact CB-CB 4.49Å; D154-V161 PolarHBondContact N-O 3.22Å; D154-V161 PolarHBondContact O-N 3.06Å; T159-V161 HydrophobicContact CG2-CG2 4.47Å; V161-Y163 HydrophobicContact CB-CE2 4.22Å; V161-Y163 HydrophobicContact CG1-CD2 4.23Å; V161-Y163 HydrophobicContact CG1-CE1 4.33Å; V161-Y163 HydrophobicContact CG1-CE2 3.58Å; V161-R176 HydrophobicContact CG1-CG 3.69Å; V161-R176 VanDerWaalsContact CG1-NE 3.3Å; V161-E178 HydrophobicContact CG2-CG 4.45Å |
| 162 | T | 98.2 | Very high | 96.6 | Very high | 0 Ų | 0 | 44.8 Ų | 44.8 | 0% | 0 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.6 | 113.2 | -177.1 | -57.7 | 0 | 0 | 0 | 0 | 109 | F128 I130 V151 V164 R176 I177 | F128-T162 WeakPolarHBondContact CE1-OG1 3.39Å; I130-T162 HydrophobicContact CD1-CG2 4.45Å; V151-T162 HydrophobicContact CG1-CG2 3.44Å; V151-T162 VanDerWaalsContact CG1-CG2 3.44Å; T162-V164 HydrophobicContact CG2-CG2 4.38Å; T162-R176 WeakPolarHBondContact O-CA 3.29Å; T162-I177 PolarHBondContact N-O 3.36Å; T162-I177 PolarHBondContact O-N 2.66Å |
| 163 | Y | 98.2 | Very high | 96.6 | Very high | 72 Ų | 72 | 48.2 Ų | 48.2 | 28% | 0.282 | 27% | 0.271 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.6 | 124.2 | 172.2 | -62 | -85.7 | 0 | 0 | 0 | 109.5 | V151 L152 D154 V161 V174 E175 R176 | V151-Y163 CarbonylContact C-O 3.5Å; V151-Y163 WeakPolarHBondContact CA-O 3.38Å; L152-Y163 PolarHBondContact N-O 3.28Å; L152-Y163 PolarHBondContact O-N 3.34Å; D154-Y163 HydrophobicContact CB-CE2 4.39Å; V161-Y163 HydrophobicContact CB-CE2 4.22Å; V161-Y163 HydrophobicContact CG1-CD2 4.23Å; V161-Y163 HydrophobicContact CG1-CE1 4.33Å; V161-Y163 HydrophobicContact CG1-CE2 3.58Å; Y163-V174 HydrophobicContact CD1-CG1 4.37Å; Y163-E175 CarbonylContact C-O 3.59Å; Y163-E175 WeakPolarHBondContact CA-O 3.32Å; Y163-R176 HydrophobicContact CD1-CB 4.42Å; Y163-R176 HydrophobicContact CD1-CG 4.4Å; Y163-R176 HydrophobicContact CE1-CB 4.42Å; Y163-R176 HydrophobicContact CE1-CG 4.07Å |
| 164 | V | 97.8 | Very high | 96.5 | Very high | 0 Ų | 0 | 51.7 Ų | 51.7 | 0% | 0 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.8 | 123 | -177.8 | -172.8 | 0 | 0 | 0 | 0 | 107.7 | F119 V151 T162 Q166 V174 E175 I177 | F119-V164 HydrophobicContact CD1-CG1 3.71Å; F119-V164 HydrophobicContact CD2-CG1 3.48Å; F119-V164 VanDerWaalsContact CD2-CG1 3.48Å; F119-V164 HydrophobicContact CD2-CG2 4.3Å; F119-V164 HydrophobicContact CE1-CB 4.32Å; F119-V164 HydrophobicContact CE1-CG1 3.66Å; F119-V164 HydrophobicContact CE1-CG2 3.96Å; F119-V164 HydrophobicContact CE2-CB 4.04Å; F119-V164 HydrophobicContact CE2-CG1 3.45Å; F119-V164 VanDerWaalsContact CE2-CG1 3.45Å; F119-V164 HydrophobicContact CE2-CG2 3.39Å; F119-V164 HydrophobicContact CG-CG1 3.64Å; F119-V164 HydrophobicContact CZ-CB 3.95Å; F119-V164 HydrophobicContact CZ-CG1 3.56Å; F119-V164 HydrophobicContact CZ-CG2 3.19Å; V151-V164 HydrophobicContact CG2-CG1 4.46Å; V151-V164 HydrophobicContact CG2-CG2 4.4Å; T162-V164 HydrophobicContact CG2-CG2 4.38Å; V164-Q166 HydrophobicContact CG1-CG 4.03Å; V164-V174 CarbonylContact O-C 3.46Å; V164-V174 VanDerWaalsContact O-CA 3.23Å; V164-V174 WeakPolarHBondContact O-CA 3.39Å; V164-E175 HydrophobicContact CB-CB 4.26Å; V164-E175 PolarHBondContact N-O 2.69Å; V164-E175 PolarHBondContact O-N 2.82Å; V164-I177 HydrophobicContact CG2-CD1 4.16Å |
| 165 | Y | 98.4 | Very high | 96.5 | Very high | 42 Ų | 42 | 53.4 Ų | 53.4 | 17% | 0.165 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.9 | 121.1 | 177.1 | -66.6 | -96.5 | 0 | 0 | 0 | 108.3 | L25 S149 F150 L152 V172 V174 | L25-Y165 HydrophobicContact CD1-CD1 3.78Å; L25-Y165 HydrophobicContact CD1-CE1 4.03Å; S149-Y165 WeakPolarHBondContact CA-O 3.45Å; S149-Y165 WeakPolarHBondContact CB-O 3.42Å; F150-Y165 HydrophobicContact CD2-CD2 4.08Å; F150-Y165 VanDerWaalsContact CE1-CB 3.44Å; F150-Y165 HydrophobicContact CE1-CD2 4.34Å; F150-Y165 AromaticContact CE1-CG 3.89Å; F150-Y165 HydrophobicContact CE1-CG 3.89Å; F150-Y165 AromaticContact CE2-CD2 3.4Å; F150-Y165 HydrophobicContact CE2-CD2 3.4Å; F150-Y165 AromaticContact CE2-CE2 4Å; F150-Y165 HydrophobicContact CE2-CE2 4Å; F150-Y165 AromaticContact CE2-CG 3.79Å; F150-Y165 HydrophobicContact CE2-CG 3.79Å; F150-Y165 HydrophobicContact CZ-CD1 4.02Å; F150-Y165 AromaticContact CZ-CD2 3.56Å; F150-Y165 HydrophobicContact CZ-CD2 3.56Å; F150-Y165 HydrophobicContact CZ-CE2 4.26Å; F150-Y165 AromaticContact CZ-CG 3.42Å; F150-Y165 HydrophobicContact CZ-CG 3.42Å; F150-Y165 VanDerWaalsContact CZ-CG 3.42Å; F150-Y165 PolarHBondContact N-O 2.83Å; F150-Y165 PolarHBondContact O-N 3.14Å; L152-Y165 HydrophobicContact CB-CE2 4.01Å; Y165-V172 HydrophobicContact CD1-CG1 3.9Å; Y165-V174 HydrophobicContact CD1-CG1 4.48Å; Y165-V174 HydrophobicContact CD1-CG2 3.6Å; Y165-V174 HydrophobicContact CE1-CG1 4.18Å; Y165-V174 HydrophobicContact CE1-CG2 3.56Å; Y165-V174 HydrophobicContact CG-CG2 4.48Å |
| 166 | Q | 98.4 | Very high | 96.5 | Very high | 29 Ų | 29 | 59.7 Ų | 59.7 | 14% | 0.136 | 32% | 0.323 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.5 | 139.9 | 176.2 | -59.2 | -168.6 | -71.9 | 0 | 0 | 109.9 | I147 P148 V164 I168 V172 K173 | I147-Q166 HydrophobicContact CG2-CB 3.92Å; P148-Q166 WeakPolarHBondContact O-CA 3.34Å; V164-Q166 HydrophobicContact CG1-CG 4.03Å; Q166-I168 HydrophobicContact CB-CG1 4.47Å; Q166-V172 CarbonylContact O-C 3.58Å; Q166-V172 WeakPolarHBondContact O-CA 3.4Å; Q166-K173 PolarHBondContact N-O 3.48Å; Q166-K173 PolarHBondContact O-N 3.05Å |
| 167 | L | 97.9 | Very high | 96.6 | Very high | 24 Ų | 24 | 56 Ų | 56 | 13% | 0.126 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.4 | 102.1 | 175.6 | -174.5 | 66.8 | 0 | 0 | 0 | 109.9 | P19 K21 F22 P148 D170 V172 | P19-L167 HydrophobicContact CB-CD2 3.52Å; P19-L167 HydrophobicContact CG-CD2 3.84Å; K21-L167 HydrophobicContact CB-CD1 4.48Å; K21-L167 HydrophobicContact CD-CD1 4.33Å; F22-L167 HydrophobicContact CE1-CB 3.89Å; F22-L167 HydrophobicContact CE2-CB 4.49Å; F22-L167 HydrophobicContact CZ-CB 3.72Å; P148-L167 HydrophobicContact CB-CB 4.06Å; P148-L167 HydrophobicContact CG-CB 4.18Å; P148-L167 HydrophobicContact CG-CD2 4.27Å; P148-L167 PolarHBondContact O-N 3.44Å; L167-D170 WeakPolarHBondContact CD1-O 3.46Å; L167-V172 HydrophobicContact CD1-CG2 4.01Å |
| 168 | I | 95.7 | Very high | 96.7 | Very high | 83 Ų | 83 | 57.8 Ų | 57.8 | 43% | 0.426 | 30% | 0.303 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.3 | 107.6 | -179.4 | -56.5 | 177.7 | 0 | 0 | 0 | 108.3 | I147 Q166 D170 D171 K173 | I147-I168 HydrophobicContact CG2-CG1 4.35Å; Q166-I168 HydrophobicContact CB-CG1 4.47Å; I168-D170 PolarHBondContact O-N 3.22Å; I168-D171 PolarHBondContact N-O 2.97Å; I168-D171 PolarHBondContact O-N 2.96Å; I168-K173 HydrophobicContact CD1-CB 4.11Å; I168-K173 HydrophobicContact CD1-CD 3.73Å |
| 169 | G | 91.1 | Very high | 96.8 | Very high | 70 Ų | 70 | 56.4 Ų | 56.4 | 72% | 0.722 | 29% | 0.293 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 63.2 | -119.1 | -168.2 | 0 | 0 | 0 | 0 | 0 | 109.2 | ||
| 170 | D | 89.7 | Confident | 96.7 | Very high | 128 Ų | 128 | 61.2 Ų | 61.2 | 68% | 0.684 | 31% | 0.312 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -93.4 | -12.9 | 171.6 | -94.5 | -41.4 | 0 | 0 | 0 | 113 | K21 L167 I168 | K21-D170 WeakPolarHBondContact CD-O 3.33Å; K21-D170 WeakPolarHBondContact CE-O 3.5Å; K21-D170 PolarHBondContact NZ-O 3.06Å; L167-D170 WeakPolarHBondContact CD1-O 3.46Å; I168-D170 PolarHBondContact O-N 3.22Å |
| 171 | D | 95.9 | Very high | 96.4 | Very high | 113 Ų | 113 | 64 Ų | 64 | 60% | 0.604 | 32% | 0.324 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -96.1 | 139.5 | -169.1 | -69 | -41.7 | 0 | 0 | 0 | 114.2 | K21 I168 K173 | K21-D171 IonicContact NZ-OD1 2.67Å; K21-D171 PolarHBondContact NZ-OD1 3.09Å; I168-D171 PolarHBondContact N-O 2.97Å; I168-D171 PolarHBondContact O-N 2.96Å; D171-K173 PolarHBondContact O-N 3.19Å |
| 172 | V | 97.2 | Very high | 95.9 | Very high | 46 Ų | 46 | 70.1 Ų | 70.1 | 28% | 0.279 | 37% | 0.367 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.8 | 110.6 | 175.3 | -179.2 | 0 | 0 | 0 | 0 | 108.4 | K21 F22 L25 Y165 Q166 L167 V174 | K21-V172 HydrophobicContact CB-CG2 3.65Å; K21-V172 HydrophobicContact CD-CG2 3.92Å; K21-V172 HydrophobicContact CG-CG2 4.42Å; F22-V172 HydrophobicContact CD1-CG2 4.29Å; F22-V172 HydrophobicContact CE1-CG1 4.31Å; F22-V172 HydrophobicContact CE1-CG2 4.16Å; L25-V172 HydrophobicContact CD1-CG1 4.02Å; L25-V172 HydrophobicContact CD1-CG2 4.49Å; Y165-V172 HydrophobicContact CD1-CG1 3.9Å; Q166-V172 CarbonylContact O-C 3.58Å; Q166-V172 WeakPolarHBondContact O-CA 3.4Å; L167-V172 HydrophobicContact CD1-CG2 4.01Å; V172-V174 HydrophobicContact CG1-CG2 4.29Å |
| 173 | K | 97.4 | Very high | 95.8 | Very high | 98 Ų | 98 | 73.6 Ų | 73.6 | 43% | 0.426 | 39% | 0.385 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.4 | 139.3 | 169.5 | -168.4 | -174.2 | -179.6 | -159.7 | 0 | 109.1 | Q166 I168 D171 E175 | Q166-K173 PolarHBondContact N-O 3.48Å; Q166-K173 PolarHBondContact O-N 3.05Å; I168-K173 HydrophobicContact CD1-CB 4.11Å; I168-K173 HydrophobicContact CD1-CD 3.73Å; D171-K173 PolarHBondContact O-N 3.19Å; K173-E175 VanDerWaalsContact CE-OE1 3.29Å; K173-E175 WeakPolarHBondContact CE-OE1 3.39Å; K173-E175 IonicContact NZ-OE1 3.3Å; K173-E175 PolarHBondContact NZ-OE1 2.95Å |
| 174 | V | 97.2 | Very high | 95.7 | Very high | 73 Ų | 73 | 73.7 Ų | 73.7 | 44% | 0.442 | 39% | 0.39 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.3 | 127.8 | 175.8 | -171 | 0 | 0 | 0 | 0 | 110 | Y163 V164 Y165 V172 | Y163-V174 HydrophobicContact CD1-CG1 4.37Å; V164-V174 CarbonylContact O-C 3.46Å; V164-V174 VanDerWaalsContact O-CA 3.23Å; V164-V174 WeakPolarHBondContact O-CA 3.39Å; Y165-V174 HydrophobicContact CD1-CG1 4.48Å; Y165-V174 HydrophobicContact CD1-CG2 3.6Å; Y165-V174 HydrophobicContact CE1-CG1 4.18Å; Y165-V174 HydrophobicContact CE1-CG2 3.56Å; Y165-V174 HydrophobicContact CG-CG2 4.48Å; V172-V174 HydrophobicContact CG1-CG2 4.29Å |
| 175 | E | 96.9 | Very high | 95.5 | Very high | 68 Ų | 68 | 77.8 Ų | 77.8 | 32% | 0.318 | 41% | 0.412 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.7 | 149.1 | 172.1 | -61 | -174.5 | 178.8 | 0 | 0 | 110.1 | Y163 V164 K173 | Y163-E175 CarbonylContact C-O 3.59Å; Y163-E175 WeakPolarHBondContact CA-O 3.32Å; V164-E175 HydrophobicContact CB-CB 4.26Å; V164-E175 PolarHBondContact N-O 2.69Å; V164-E175 PolarHBondContact O-N 2.82Å; K173-E175 VanDerWaalsContact CE-OE1 3.29Å; K173-E175 WeakPolarHBondContact CE-OE1 3.39Å; K173-E175 IonicContact NZ-OE1 3.3Å; K173-E175 PolarHBondContact NZ-OE1 2.95Å |
| 176 | R | 97.5 | Very high | 95.4 | Very high | 135 Ų | 135 | 79.9 Ų | 79.9 | 51% | 0.509 | 43% | 0.427 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122 | 122.9 | -179.3 | -177.4 | -171.5 | 179.1 | -82.6 | -0.5 | 109.4 | V161 T162 Y163 E178 | V161-R176 HydrophobicContact CG1-CG 3.69Å; V161-R176 VanDerWaalsContact CG1-NE 3.3Å; T162-R176 WeakPolarHBondContact O-CA 3.29Å; Y163-R176 HydrophobicContact CD1-CB 4.42Å; Y163-R176 HydrophobicContact CD1-CG 4.4Å; Y163-R176 HydrophobicContact CE1-CB 4.42Å; Y163-R176 HydrophobicContact CE1-CG 4.07Å; R176-E178 IonicContact CZ-OE2 3.44Å; R176-E178 IonicContact NH1-OE2 3.34Å; R176-E178 PolarHBondContact NH1-OE2 2.84Å; R176-E178 IonicContact NH2-OE2 3.89Å; R176-E178 PolarHBondContact NH2-OE2 3.45Å |
| 177 | I | 97.2 | Very high | 95.2 | Very high | 46 Ų | 46 | 83.1 Ų | 83.1 | 24% | 0.236 | 45% | 0.445 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.7 | 140.4 | 177.3 | -59.3 | 163.5 | 0 | 0 | 0 | 107.9 | F119 A121 F128 T162 V164 | F119-I177 HydrophobicContact CZ-CD1 4.04Å; A121-I177 HydrophobicContact CB-CD1 3.72Å; F128-I177 HydrophobicContact CE2-CG2 4.15Å; F128-I177 HydrophobicContact CZ-CG2 3.94Å; T162-I177 PolarHBondContact N-O 3.36Å; T162-I177 PolarHBondContact O-N 2.66Å; V164-I177 HydrophobicContact CG2-CD1 4.16Å |
| 178 | E | 96.9 | Very high | 95 | Very high | 106 Ų | 106 | 87 Ų | 87 | 50% | 0.495 | 47% | 0.466 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120 | 133.4 | -179.9 | -170.8 | 171.7 | 133 | 0 | 0 | 109.7 | T159 V161 R176 | T159-E178 HydrophobicContact CG2-CG 3.8Å; V161-E178 HydrophobicContact CG2-CG 4.45Å; R176-E178 IonicContact CZ-OE2 3.44Å; R176-E178 IonicContact NH1-OE2 3.34Å; R176-E178 PolarHBondContact NH1-OE2 2.84Å; R176-E178 IonicContact NH2-OE2 3.89Å; R176-E178 PolarHBondContact NH2-OE2 3.45Å |
| 179 | Y | 97.3 | Very high | 95 | Very high | 2 Ų | 2 | 87.3 Ų | 87.3 | 1% | 0.008 | 47% | 0.469 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.4 | 138.4 | 172.4 | 166 | -108.9 | 0 | 0 | 0 | 109.2 | F80 I110 E123 N126 F128 T159 V160 | F80-Y179 HydrophobicContact CD1-CE1 4.25Å; F80-Y179 AromaticContact CE1-CD1 3.91Å; F80-Y179 HydrophobicContact CE1-CD1 3.91Å; F80-Y179 AromaticContact CE1-CE1 3.63Å; F80-Y179 HydrophobicContact CE1-CE1 3.63Å; I110-Y179 HydrophobicContact CG1-CE1 4.48Å; E123-Y179 HydrophobicContact CG-CD2 4.17Å; E123-Y179 HydrophobicContact CG-CE2 4.11Å; N126-Y179 PolarHBondContact O-OH 3.3Å; F128-Y179 HydrophobicContact CB-CD1 3.54Å; F128-Y179 HydrophobicContact CB-CD2 4.02Å; F128-Y179 HydrophobicContact CB-CE1 3.7Å; F128-Y179 HydrophobicContact CB-CE2 4.18Å; F128-Y179 HydrophobicContact CB-CG 3.71Å; F128-Y179 HydrophobicContact CD1-CD1 4.24Å; F128-Y179 HydrophobicContact CD1-CG 4.3Å; F128-Y179 HydrophobicContact CD2-CD1 4.46Å; F128-Y179 HydrophobicContact CD2-CD2 4.1Å; F128-Y179 AromaticContact CD2-CG 3.84Å; F128-Y179 HydrophobicContact CD2-CG 3.84Å; F128-Y179 AromaticContact CG-CD1 3.86Å; F128-Y179 HydrophobicContact CG-CD1 3.86Å; F128-Y179 HydrophobicContact CG-CD2 4.24Å; F128-Y179 AromaticContact CG-CG 3.71Å; F128-Y179 HydrophobicContact CG-CG 3.71Å; T159-Y179 WeakPolarHBondContact CA-O 2.86Å; V160-Y179 HydrophobicContact CG1-CD1 3.62Å; V160-Y179 HydrophobicContact CG1-CG 4.14Å; V160-Y179 PolarHBondContact N-O 2.58Å; V160-Y179 PolarHBondContact O-N 3.11Å |
| 180 | K | 96.8 | Very high | 95.3 | Very high | 135 Ų | 135 | 88.6 Ų | 88.6 | 59% | 0.587 | 45% | 0.45 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -122.8 | 126.7 | 178.7 | -170.5 | 177.5 | 179.9 | -177.1 | 0 | 109.1 | S158 S182 | S158-K180 WeakPolarHBondContact O-CA 3.4Å; K180-S182 PolarHBondContact O-N 3.24Å |
| 181 | K | 91.8 | Very high | 95.7 | Very high | 59 Ų | 59 | 85.3 Ų | 85.3 | 26% | 0.257 | 43% | 0.43 | S | S | . | . | trans | -64.5 | 127.4 | 173.9 | -171.4 | 167.3 | 174.6 | 168.7 | 0 | 109.1 | Q79 F80 D109 S158 | Q79-K181 PolarHBondContact O-NZ 3.41Å; F80-K181 HydrophobicContact CD1-CD 4.38Å; F80-K181 HydrophobicContact CE1-CB 3.75Å; F80-K181 HydrophobicContact CE1-CD 4.4Å; F80-K181 HydrophobicContact CZ-CB 4.14Å; D109-K181 VanDerWaalsContact CG-NZ 3.25Å; D109-K181 VanDerWaalsContact OD1-CE 3.23Å; D109-K181 WeakPolarHBondContact OD1-CE 3.06Å; D109-K181 IonicContact OD1-NZ 3.24Å; D109-K181 PolarHBondContact OD1-NZ 2.86Å; D109-K181 IonicContact OD2-NZ 2.72Å; D109-K181 PolarHBondContact OD2-NZ 2.99Å; S158-K181 PolarHBondContact O-N 3.01Å | ||
| 182 | S | 86.8 | Confident | 95.7 | Very high | 143 Ų | 143 | 82.8 Ų | 82.8 | 100% | 1 | 41% | 0.414 | S | S | * | . | trans | -67.7 | 0 | 175 | 59.6 | 0 | 0 | 0 | 0 | 112.3 | K180 | K180-S182 PolarHBondContact O-N 3.24Š|
Retrieved 182 of 182 residues in 203.6 ms
(Link to these results)