| 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 | 59.5 | Low | 91.7 | Very high | 110 Ų | 110 | 40.6 Ų | 40.6 | 54% | 0.542 | 22% | 0.223 | S | C | . | . | 0 | 115.7 | 0 | -171.1 | 170.4 | -173.8 | 0 | 0 | 105.3 | F4 T176 K177 | M1-F4 WeakPolarHBondContact O-CD1 3.32Å; M1-F4 VanDerWaalsContact O-CE1 3.24Å; M1-F4 WeakPolarHBondContact O-CE1 3.35Å; M1-T176 HydrophobicContact CE-CG2 4.04Å; M1-T176 HydrophobicContact SD-CG2 4.45Å; M1-K177 HydrophobicContact CE-CG 4.39Å | |||
| 2 | N | 79 | Confident | 91.8 | Very high | 77 Ų | 77 | 39.6 Ų | 39.6 | 41% | 0.412 | 21% | 0.213 | S | C | . | . | trans | -106.7 | -13.9 | -169.4 | -60.2 | 11.6 | 0 | 0 | 0 | 111.6 | F4 D142 | N2-F4 PolarHBondContact O-N 3.23Å; N2-D142 PolarHBondContact ND2-O 3.17Å | ||
| 3 | D | 92.5 | Very high | 92.1 | Very high | 97 Ų | 97 | 40.2 Ų | 40.2 | 52% | 0.519 | 22% | 0.221 | S | C | . | . | trans | -94.9 | 81.9 | -177.7 | -49.5 | -45.9 | 0 | 0 | 0 | 109.9 | F99 | D3-F99 HydrophobicContact CB-CE2 3.7Å; D3-F99 HydrophobicContact CB-CZ 4.11Å; D3-F99 WeakPolarHBondContact O-CE2 3.24Å | ||
| 4 | F | 96.6 | Very high | 92.2 | Very high | 26 Ų | 26 | 42.2 Ų | 42.2 | 11% | 0.114 | 25% | 0.246 | C | C | . | . | trans | -151.6 | 162.2 | 178.5 | 65.9 | -87.7 | 0 | 0 | 0 | 112.4 | M1 N2 L6 M143 V145 A148 I174 V175 T176 | M1-F4 WeakPolarHBondContact O-CD1 3.32Å; M1-F4 VanDerWaalsContact O-CE1 3.24Å; M1-F4 WeakPolarHBondContact O-CE1 3.35Å; N2-F4 PolarHBondContact O-N 3.23Å; F4-L6 HydrophobicContact CD2-CB 4.33Å; F4-L6 HydrophobicContact CE2-CB 4.25Å; F4-M143 WeakPolarHBondContact CE1-O 3.43Å; F4-V145 HydrophobicContact CD1-CG2 3.79Å; F4-V145 HydrophobicContact CD2-CG2 4.44Å; F4-V145 HydrophobicContact CE1-CG2 3.75Å; F4-V145 HydrophobicContact CE2-CG2 4.4Å; F4-V145 HydrophobicContact CG-CG2 4.16Å; F4-V145 HydrophobicContact CZ-CB 4.47Å; F4-V145 HydrophobicContact CZ-CG2 4.07Å; F4-A148 HydrophobicContact CE2-CB 3.73Å; F4-A148 HydrophobicContact CZ-CB 3.7Å; F4-I174 HydrophobicContact CB-CD1 3.74Å; F4-I174 HydrophobicContact CB-CG1 3.81Å; F4-I174 HydrophobicContact CD2-CD1 3.75Å; F4-I174 HydrophobicContact CD2-CG1 4.01Å; F4-I174 HydrophobicContact CG-CD1 3.78Å; F4-I174 HydrophobicContact CG-CG1 4.2Å; F4-V175 VanDerWaalsContact CA-O 3.29Å; F4-V175 WeakPolarHBondContact CA-O 3.37Å; F4-T176 HydrophobicContact CB-CG2 4.01Å | ||
| 5 | V | 97.5 | Very high | 92.3 | Very high | 12 Ų | 12 | 48.3 Ų | 48.3 | 7% | 0.073 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.7 | 129.5 | 164.9 | -170.9 | 0 | 0 | 0 | 0 | 108.4 | A97 P105 L107 I174 V175 | V5-A97 HydrophobicContact CB-CB 3.94Å; V5-A97 HydrophobicContact CG1-CB 3.45Å; V5-A97 VanDerWaalsContact CG1-CB 3.45Å; V5-P105 HydrophobicContact CG2-CB 3.49Å; V5-P105 VanDerWaalsContact CG2-CB 3.49Å; V5-L107 HydrophobicContact CG1-CB 4.08Å; V5-L107 HydrophobicContact CG1-CD1 4.08Å; V5-I174 WeakPolarHBondContact O-CA 3.15Å; V5-V175 HydrophobicContact CB-CB 4.48Å; V5-V175 PolarHBondContact N-O 3.4Å; V5-V175 PolarHBondContact O-N 3.37Å |
| 6 | L | 97.3 | Very high | 92.4 | Very high | 35 Ų | 35 | 52.1 Ų | 52.1 | 18% | 0.183 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.2 | 126.2 | 177.3 | -168.8 | 72.2 | 0 | 0 | 0 | 109.2 | F4 A148 V149 L152 V172 I174 L183 | F4-L6 HydrophobicContact CD2-CB 4.33Å; F4-L6 HydrophobicContact CE2-CB 4.25Å; L6-A148 HydrophobicContact CD2-CB 4.19Å; L6-V149 HydrophobicContact CD1-CG2 4.37Å; L6-V149 HydrophobicContact CD2-CG2 4Å; L6-L152 HydrophobicContact CD2-CB 4.35Å; L6-L152 HydrophobicContact CD2-CD2 3.87Å; L6-L152 HydrophobicContact CG-CD2 4.5Å; L6-V172 HydrophobicContact CD1-CG1 3.51Å; L6-V172 HydrophobicContact CD2-CG1 4.45Å; L6-V172 HydrophobicContact CG-CG1 4.05Å; L6-I174 HydrophobicContact CD1-CB 4.14Å; L6-I174 HydrophobicContact CD1-CG1 4.49Å; L6-L183 HydrophobicContact CD1-CD1 3.84Å |
| 7 | L | 97.9 | Very high | 92.4 | Very high | 5 Ų | 5 | 58.4 Ų | 58.4 | 3% | 0.026 | 33% | 0.332 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.8 | 143.5 | 171.3 | -73.2 | -176.5 | 0 | 0 | 0 | 110.4 | M27 L35 A37 L95 A97 L107 V172 R173 | L7-M27 HydrophobicContact CB-CE 3.78Å; L7-M27 HydrophobicContact CB-SD 4.26Å; L7-L35 HydrophobicContact CD1-CB 4.32Å; L7-L35 HydrophobicContact CD1-CD2 3.97Å; L7-L35 HydrophobicContact CD1-CG 4.01Å; L7-A37 HydrophobicContact CD1-CB 4.2Å; L7-L95 HydrophobicContact CD2-CB 4.05Å; L7-L95 HydrophobicContact CD2-CD1 4.33Å; L7-A97 HydrophobicContact CD1-CB 3.45Å; L7-A97 VanDerWaalsContact CD1-CB 3.45Å; L7-A97 HydrophobicContact CD2-CB 4.08Å; L7-A97 HydrophobicContact CG-CB 3.61Å; L7-L107 HydrophobicContact CD2-CD1 4.09Å; L7-V172 WeakPolarHBondContact O-CA 3.27Å; L7-R173 PolarHBondContact N-O 3.23Å; L7-R173 PolarHBondContact O-N 3.12Å |
| 8 | A | 97.8 | Very high | 92.6 | Very high | 33 Ų | 33 | 61.9 Ų | 61.9 | 27% | 0.273 | 35% | 0.348 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.2 | 142 | 171.8 | 0 | 0 | 0 | 0 | 0 | 110.6 | L152 M171 V172 | A8-L152 HydrophobicContact CB-CD1 3.7Å; A8-L152 HydrophobicContact CB-CD2 3.54Å; A8-L152 HydrophobicContact CB-CG 4.19Å; A8-M171 VanDerWaalsContact CA-O 3.23Å; A8-M171 WeakPolarHBondContact CA-O 3.25Å; A8-V172 HydrophobicContact CB-CG2 4.19Å |
| 9 | A | 97.6 | Very high | 92.7 | Very high | 11 Ų | 11 | 61.3 Ų | 61.3 | 9% | 0.091 | 35% | 0.347 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.7 | 143.7 | 176.5 | 0 | 0 | 0 | 0 | 0 | 109.4 | K26 M27 Y170 M171 | A9-K26 HydrophobicContact CB-CB 4.03Å; A9-M27 HydrophobicContact CB-CE 3.79Å; A9-Y170 CarbonylContact O-C 3.48Å; A9-Y170 VanDerWaalsContact O-CA 3.25Å; A9-Y170 WeakPolarHBondContact O-CA 3.34Å; A9-M171 HydrophobicContact CB-CG 4.28Å; A9-M171 HydrophobicContact CB-SD 4.45Å; A9-M171 PolarHBondContact N-O 2.87Å; A9-M171 VanDerWaalsContact N-O 3.17Å; A9-M171 PolarHBondContact O-N 3.08Å |
| 10 | D | 96.4 | Very high | 92.8 | Very high | 33 Ų | 33 | 64.2 Ų | 64.2 | 18% | 0.176 | 36% | 0.36 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -66 | 148.4 | 173.2 | 78.4 | -78.6 | 0 | 0 | 0 | 109.8 | R12 K26 L167 R169 Y170 | D10-R12 PolarHBondContact OD2-N 2.89Å; D10-R12 VanDerWaalsContact OD2-N 3.14Å; D10-K26 WeakPolarHBondContact O-CD 3.33Å; D10-K26 WeakPolarHBondContact O-CE 3.11Å; D10-K26 IonicContact OD1-NZ 2.79Å; D10-K26 PolarHBondContact OD1-NZ 2.9Å; D10-K26 IonicContact OD2-NZ 2.69Å; D10-K26 PolarHBondContact OD2-NZ 2.92Å; D10-L167 HydrophobicContact CB-CB 4.28Å; D10-L167 HydrophobicContact CB-CD1 4.39Å; D10-L167 HydrophobicContact CB-CD2 4.08Å; D10-L167 HydrophobicContact CB-CG 4.49Å; D10-R169 WeakPolarHBondContact CA-O 3.33Å; D10-Y170 HydrophobicContact CB-CD1 4.14Å; D10-Y170 HydrophobicContact CB-CE1 3.8Å |
| 11 | M | 96.2 | Very high | 92.9 | Very high | 8 Ų | 8 | 64.8 Ų | 64.8 | 4% | 0.039 | 36% | 0.358 | C | S | . | . | trans | -98.2 | 10.8 | -176.7 | -57.3 | -170.2 | 70 | 0 | 0 | 113.1 | H22 D23 E24 L25 R169 M171 | M11-H22 WeakPolarHBondContact CB-O 3.22Å; M11-H22 CarbonylContact O-C 3.57Å; M11-D23 HydrophobicContact CE-CB 4.31Å; M11-D23 PolarHBondContact O-N 2.9Å; M11-E24 WeakPolarHBondContact CA-O 3.44Å; M11-E24 WeakPolarHBondContact O-CB 3.29Å; M11-E24 PolarHBondContact O-N 2.87Å; M11-L25 HydrophobicContact CE-CD2 4.01Å; M11-R169 HydrophobicContact CB-CG 4.4Å; M11-R169 HydrophobicContact CG-CG 4.17Å; M11-R169 PolarHBondContact N-O 2.84Å; M11-R169 HydrophobicContact SD-CG 3.64Å; M11-R169 PolarHBondContact SD-NE 3.06Å; M11-R169 VanDerWaalsContact SD-NE 3.44Å; M11-M171 HydrophobicContact CB-CE 4.43Å; M11-M171 HydrophobicContact CE-CB 4.34Å; M11-M171 HydrophobicContact CE-CE 4.17Å; M11-M171 HydrophobicContact CG-CB 4.02Å; M11-M171 HydrophobicContact CG-CE 3.61Å; M11-M171 HydrophobicContact SD-CB 3.85Å; M11-M171 HydrophobicContact SD-CE 4.4Å | ||
| 12 | R | 93.7 | Very high | 94.5 | Very high | 28 Ų | 28 | 64 Ų | 64 | 11% | 0.106 | 35% | 0.353 | C | S | . | . | trans | -92.6 | 137.2 | -175.9 | -74.1 | -171.9 | 173.6 | -146.8 | -3.2 | 111.6 | D10 T19 K21 K26 N166 L167 D168 | D10-R12 PolarHBondContact OD2-N 2.89Å; D10-R12 VanDerWaalsContact OD2-N 3.14Å; R12-T19 HydrophobicContact CB-CG2 4.33Å; R12-T19 HydrophobicContact CG-CG2 4.16Å; R12-K21 WeakPolarHBondContact CA-O 3.36Å; R12-K26 VanDerWaalsContact O-CE 3.3Å; R12-K26 WeakPolarHBondContact O-CE 3.46Å; R12-K26 PolarHBondContact O-NZ 3.29Å; R12-N166 WeakPolarHBondContact CD-O 3.38Å; R12-N166 PolarHBondContact NE-O 3.49Å; R12-N166 PolarHBondContact NH1-ND2 3.18Å; R12-N166 PolarHBondContact NH1-O 3.14Å; R12-N166 VanDerWaalsContact NH1-O 3.13Å; R12-N166 PolarHBondContact NH2-ND2 3.17Å; R12-N166 VanDerWaalsContact NH2-ND2 3.12Å; R12-L167 HydrophobicContact CB-CD2 4.42Å; R12-D168 IonicContact CZ-OD1 3.33Å; R12-D168 IonicContact CZ-OD2 3.7Å; R12-D168 IonicContact NE-OD1 2.76Å; R12-D168 PolarHBondContact NE-OD1 3.41Å; R12-D168 IonicContact NE-OD2 3.88Å; R12-D168 IonicContact NH2-OD1 3.12Å; R12-D168 PolarHBondContact NH2-OD1 3.03Å; R12-D168 VanDerWaalsContact NH2-OD1 3.12Å; R12-D168 IonicContact NH2-OD2 2.73Å; R12-D168 PolarHBondContact NH2-OD2 2.91Å | ||
| 13 | C | 94.7 | Very high | 95.3 | Very high | 48 Ų | 48 | 64.5 Ų | 64.5 | 32% | 0.324 | 36% | 0.356 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112 | 114.7 | 164.6 | -174.6 | 0 | 0 | 0 | 0 | 108.1 | T19 I20 K21 E24 | C13-T19 CarbonylContact O-C 3.58Å; C13-I20 PolarHBondContact O-N 3.05Å; C13-K21 HydrophobicContact CB-CB 3.91Å; C13-K21 PolarHBondContact N-O 2.95Å; C13-K21 PolarHBondContact O-N 3.29Å; C13-E24 HydrophobicContact CB-CB 4.12Å; C13-E24 HydrophobicContact CB-CG 4.27Å |
| 14 | A | 93.7 | Very high | 95.4 | Very high | 68 Ų | 68 | 63 Ų | 63 | 56% | 0.562 | 35% | 0.346 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -107.7 | 145.6 | 178.6 | 0 | 0 | 0 | 0 | 0 | 110.5 | L18 | A14-L18 CarbonylContact C-O 3.52Å; A14-L18 WeakPolarHBondContact CA-O 3.46Å |
| 15 | H | 93.8 | Very high | 95.4 | Very high | 133 Ų | 133 | 66.4 Ų | 66.4 | 62% | 0.616 | 37% | 0.365 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -138.4 | 122.3 | 170.4 | -174.2 | 77.4 | 0 | 0 | 0 | 108.6 | I17 L18 I20 | H15-I17 PolarHBondContact O-N 3.28Å; H15-L18 PolarHBondContact N-O 3.32Å; H15-L18 PolarHBondContact O-N 2.88Å; H15-L18 VanDerWaalsContact O-N 3.13Å; H15-I20 HydrophobicContact CB-CD1 3.29Å; H15-I20 HydrophobicContact CB-CG1 3.86Å |
| 16 | S | 94.5 | Very high | 95.4 | Very high | 109 Ų | 109 | 67.8 Ų | 67.8 | 76% | 0.762 | 37% | 0.37 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 53.5 | -133.1 | -168.2 | -173.6 | 0 | 0 | 0 | 0 | 110.1 | L18 | S16-L18 VanDerWaalsContact C-N 3.3Å; S16-L18 PolarHBondContact O-N 3.34Å |
| 17 | I | 93 | Very high | 95.4 | Very high | 160 Ų | 160 | 67.4 Ų | 67.4 | 82% | 0.821 | 37% | 0.367 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85 | 2.6 | 179.6 | 64.1 | 172.1 | 0 | 0 | 0 | 114 | H15 | H15-I17 PolarHBondContact O-N 3.28Š|
| 18 | L | 94.9 | Very high | 95.4 | Very high | 121 Ų | 121 | 68.7 Ų | 68.7 | 63% | 0.634 | 37% | 0.373 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -109.8 | 142.5 | -174.1 | -60.1 | 177.3 | 0 | 0 | 0 | 111.2 | A14 H15 S16 | A14-L18 CarbonylContact C-O 3.52Å; A14-L18 WeakPolarHBondContact CA-O 3.46Å; H15-L18 PolarHBondContact N-O 3.32Å; H15-L18 PolarHBondContact O-N 2.88Å; H15-L18 VanDerWaalsContact O-N 3.13Å; S16-L18 VanDerWaalsContact C-N 3.3Å; S16-L18 PolarHBondContact O-N 3.34Å |
| 19 | T | 94.1 | Very high | 95.3 | Very high | 51 Ų | 51 | 71.6 Ų | 71.6 | 31% | 0.313 | 38% | 0.379 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.5 | 116.2 | 165.7 | -57.5 | 0 | 0 | 0 | 0 | 108.1 | R12 C13 K21 | R12-T19 HydrophobicContact CB-CG2 4.33Å; R12-T19 HydrophobicContact CG-CG2 4.16Å; C13-T19 CarbonylContact O-C 3.58Å; T19-K21 VanDerWaalsContact CG2-O 3.31Å; T19-K21 WeakPolarHBondContact CG2-O 3.26Å |
| 20 | I | 95.4 | Very high | 95.3 | Very high | 118 Ų | 118 | 71.1 Ų | 71.1 | 61% | 0.605 | 38% | 0.375 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -81.6 | -36.7 | 179.6 | -63 | -173.2 | 0 | 0 | 0 | 110.7 | C13 H15 | C13-I20 PolarHBondContact O-N 3.05Å; H15-I20 HydrophobicContact CB-CD1 3.29Å; H15-I20 HydrophobicContact CB-CG1 3.86Å |
| 21 | K | 95.2 | Very high | 95.2 | Very high | 77 Ų | 77 | 70.3 Ų | 70.3 | 34% | 0.335 | 37% | 0.372 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.4 | 145.7 | -174 | -169.7 | 174.5 | 169 | -167.2 | 0 | 111.3 | R12 C13 T19 D23 E24 | R12-K21 WeakPolarHBondContact CA-O 3.36Å; C13-K21 HydrophobicContact CB-CB 3.91Å; C13-K21 PolarHBondContact N-O 2.95Å; C13-K21 PolarHBondContact O-N 3.29Å; T19-K21 VanDerWaalsContact CG2-O 3.31Å; T19-K21 WeakPolarHBondContact CG2-O 3.26Å; K21-D23 WeakPolarHBondContact CD-OD1 3.15Å; K21-D23 WeakPolarHBondContact CE-O 3.39Å; K21-D23 WeakPolarHBondContact CE-OD1 3.44Å; K21-D23 WeakPolarHBondContact CG-OD1 3.29Å; K21-E24 HydrophobicContact CD-CB 4.38Å; K21-E24 VanDerWaalsContact CD-OE2 3.32Å; K21-E24 WeakPolarHBondContact CD-OE2 3.34Å; K21-E24 WeakPolarHBondContact CE-OE2 3.44Å; K21-E24 IonicContact NZ-OE2 2.79Å; K21-E24 PolarHBondContact NZ-OE2 3.3Å |
| 22 | H | 93.5 | Very high | 95.1 | Very high | 93 Ų | 93 | 76.4 Ų | 76.4 | 43% | 0.431 | 40% | 0.398 | S | S | . | . | S | Bend | trans | -115.3 | -0.4 | -175.9 | -61.3 | 81.5 | 0 | 0 | 0 | 113.4 | M11 | M11-H22 WeakPolarHBondContact CB-O 3.22Å; M11-H22 CarbonylContact O-C 3.57Å |
| 23 | D | 95.1 | Very high | 95.2 | Very high | 88 Ų | 88 | 77.2 Ų | 77.2 | 47% | 0.471 | 40% | 0.401 | S | S | . | . | S | Bend | trans | -132.3 | 33.3 | -176.3 | 64 | -27.1 | 0 | 0 | 0 | 111.7 | M11 K21 | M11-D23 HydrophobicContact CE-CB 4.31Å; M11-D23 PolarHBondContact O-N 2.9Å; K21-D23 WeakPolarHBondContact CD-OD1 3.15Å; K21-D23 WeakPolarHBondContact CE-O 3.39Å; K21-D23 WeakPolarHBondContact CE-OD1 3.44Å; K21-D23 WeakPolarHBondContact CG-OD1 3.29Å |
| 24 | E | 95.4 | Very high | 95.4 | Very high | 65 Ų | 65 | 75 Ų | 75 | 30% | 0.304 | 39% | 0.386 | S | S | . | . | trans | -70 | 131.8 | 177.3 | -174.7 | 61 | -171.6 | 0 | 0 | 111.1 | M11 C13 K21 K26 M171 | M11-E24 WeakPolarHBondContact CA-O 3.44Å; M11-E24 WeakPolarHBondContact O-CB 3.29Å; M11-E24 PolarHBondContact O-N 2.87Å; C13-E24 HydrophobicContact CB-CB 4.12Å; C13-E24 HydrophobicContact CB-CG 4.27Å; K21-E24 HydrophobicContact CD-CB 4.38Å; K21-E24 VanDerWaalsContact CD-OE2 3.32Å; K21-E24 WeakPolarHBondContact CD-OE2 3.34Å; K21-E24 WeakPolarHBondContact CE-OE2 3.44Å; K21-E24 IonicContact NZ-OE2 2.79Å; K21-E24 PolarHBondContact NZ-OE2 3.3Å; E24-K26 HydrophobicContact CG-CG 4.34Å; E24-M171 WeakPolarHBondContact O-CE 3.47Å | ||
| 25 | L | 95.1 | Very high | 95.6 | Very high | 98 Ų | 98 | 71.9 Ų | 71.9 | 51% | 0.513 | 36% | 0.36 | S | S | . | . | trans | -95.8 | 110.2 | 179.9 | -61.3 | -175.7 | 0 | 0 | 0 | 110 | M11 M171 | M11-L25 HydrophobicContact CE-CD2 4.01Å; L25-M171 HydrophobicContact CD2-CE 3.93Å; L25-M171 HydrophobicContact CD2-SD 4.16Å | ||
| 26 | K | 97.1 | Very high | 95.8 | Very high | 42 Ų | 42 | 65.5 Ų | 65.5 | 18% | 0.183 | 33% | 0.331 | C | S | . | . | trans | -101.1 | 17 | -177.6 | -57 | -174 | -171.6 | 178.9 | 0 | 113 | A9 D10 R12 E24 A37 V38 | A9-K26 HydrophobicContact CB-CB 4.03Å; D10-K26 WeakPolarHBondContact O-CD 3.33Å; D10-K26 WeakPolarHBondContact O-CE 3.11Å; D10-K26 IonicContact OD1-NZ 2.79Å; D10-K26 PolarHBondContact OD1-NZ 2.9Å; D10-K26 IonicContact OD2-NZ 2.69Å; D10-K26 PolarHBondContact OD2-NZ 2.92Å; R12-K26 VanDerWaalsContact O-CE 3.3Å; R12-K26 WeakPolarHBondContact O-CE 3.46Å; R12-K26 PolarHBondContact O-NZ 3.29Å; E24-K26 HydrophobicContact CG-CG 4.34Å; K26-A37 WeakPolarHBondContact O-CA 3.37Å; K26-V38 PolarHBondContact O-N 3.29Å | ||
| 27 | M | 97.7 | Very high | 96 | Very high | 26 Ų | 26 | 60.9 Ų | 60.9 | 13% | 0.128 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.7 | 132.4 | -177.4 | -63.4 | -174.6 | -174 | 0 | 0 | 111.6 | L7 A9 L35 A36 A37 M171 R173 | L7-M27 HydrophobicContact CB-CE 3.78Å; L7-M27 HydrophobicContact CB-SD 4.26Å; A9-M27 HydrophobicContact CB-CE 3.79Å; M27-L35 HydrophobicContact CB-CD1 4.04Å; M27-L35 HydrophobicContact CB-CG 4.47Å; M27-L35 HydrophobicContact SD-CD2 3.98Å; M27-A36 CarbonylContact C-O 3.52Å; M27-A36 WeakPolarHBondContact CA-O 3.43Å; M27-A37 HydrophobicContact CG-CB 4.08Å; M27-M171 HydrophobicContact CB-SD 4.26Å; M27-M171 HydrophobicContact CE-CG 3.67Å; M27-M171 HydrophobicContact CE-SD 4.21Å; M27-M171 HydrophobicContact CG-CG 4.48Å; M27-M171 HydrophobicContact CG-SD 3.8Å; M27-M171 HydrophobicContact SD-CG 4.04Å; M27-M171 HydrophobicContact SD-SD 4.02Å; M27-R173 HydrophobicContact SD-CB 3.85Å; M27-R173 HydrophobicContact SD-CG 3.43Å; M27-R173 WeakPolarHBondContact SD-CG 3.33Å |
| 28 | F | 97.5 | Very high | 96.2 | Very high | 33 Ų | 33 | 53.6 Ų | 53.6 | 15% | 0.145 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.4 | 124.7 | -175.6 | -63.5 | -96.9 | 0 | 0 | 0 | 110.6 | F30 A36 V38 S49 E50 | F28-F30 HydrophobicContact CB-CD1 4.22Å; F28-F30 HydrophobicContact CB-CE1 4Å; F28-F30 PolarHBondContact O-N 3.33Å; F28-F30 VanDerWaalsContact O-N 3.17Å; F28-A36 PolarHBondContact N-O 2.92Å; F28-A36 PolarHBondContact O-N 2.92Å; F28-V38 HydrophobicContact CD2-CB 4.44Å; F28-V38 HydrophobicContact CD2-CG2 4.07Å; F28-V38 HydrophobicContact CE2-CB 4.37Å; F28-V38 HydrophobicContact CE2-CG2 4.47Å; F28-S49 VanDerWaalsContact CG-CB 3.44Å; F28-E50 HydrophobicContact CE1-CG 4.22Å |
| 29 | K | 97.1 | Very high | 96.3 | Very high | 93 Ų | 93 | 50 Ų | 50 | 40% | 0.404 | 25% | 0.246 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -78 | 99.2 | 178.1 | -64.3 | -179 | -175.6 | 174.1 | 0 | 109.2 | L35 Q53 I180 E182 | K29-L35 HydrophobicContact CG-CD1 3.98Å; K29-Q53 WeakPolarHBondContact O-CG 3.44Å; K29-Q53 PolarHBondContact O-NE2 3.01Å; K29-I180 HydrophobicContact CB-CD1 4.42Å; K29-I180 HydrophobicContact CG-CD1 4.08Å; K29-E182 IonicContact NZ-OE1 2.81Å; K29-E182 PolarHBondContact NZ-OE1 2.83Å |
| 30 | F | 96.3 | Very high | 96.4 | Very high | 1 Ų | 1 | 49.8 Ų | 49.8 | 0% | 0.004 | 25% | 0.254 | C | S | . | . | trans | -74.3 | -36.4 | 179.8 | -86.2 | 12.1 | 0 | 0 | 0 | 112.2 | F28 V34 A36 I52 Q53 M56 L94 | F28-F30 HydrophobicContact CB-CD1 4.22Å; F28-F30 HydrophobicContact CB-CE1 4Å; F28-F30 PolarHBondContact O-N 3.33Å; F28-F30 VanDerWaalsContact O-N 3.17Å; F30-V34 HydrophobicContact CB-CB 4.08Å; F30-V34 HydrophobicContact CB-CG1 3.83Å; F30-V34 HydrophobicContact CD2-CG1 4.25Å; F30-V34 PolarHBondContact N-O 3.32Å; F30-A36 HydrophobicContact CD1-CB 4.24Å; F30-A36 HydrophobicContact CD2-CB 3.93Å; F30-A36 HydrophobicContact CE1-CB 3.85Å; F30-A36 HydrophobicContact CE2-CB 3.5Å; F30-A36 HydrophobicContact CG-CB 4.29Å; F30-A36 HydrophobicContact CZ-CB 3.46Å; F30-A36 VanDerWaalsContact CZ-CB 3.46Å; F30-I52 HydrophobicContact CD1-CG2 4.35Å; F30-I52 HydrophobicContact CD2-CG2 3.97Å; F30-I52 HydrophobicContact CE1-CB 4.11Å; F30-I52 HydrophobicContact CE1-CG2 3.86Å; F30-I52 HydrophobicContact CE2-CB 4.37Å; F30-I52 HydrophobicContact CE2-CG2 3.43Å; F30-I52 VanDerWaalsContact CE2-CG2 3.43Å; F30-I52 HydrophobicContact CG-CG2 4.41Å; F30-I52 HydrophobicContact CZ-CB 3.82Å; F30-I52 HydrophobicContact CZ-CG2 3.37Å; F30-Q53 HydrophobicContact CD1-CB 4.07Å; F30-Q53 HydrophobicContact CE1-CB 4.35Å; F30-M56 HydrophobicContact CB-SD 3.42Å; F30-M56 WeakPolarHBondContact CB-SD 3.46Å; F30-M56 HydrophobicContact CD2-CE 3.58Å; F30-M56 HydrophobicContact CD2-SD 3.54Å; F30-M56 VanDerWaalsContact CD2-SD 3.54Å; F30-M56 HydrophobicContact CE2-CE 4.05Å; F30-M56 HydrophobicContact CE2-SD 4.46Å; F30-M56 HydrophobicContact CG-CE 4.25Å; F30-M56 HydrophobicContact CG-SD 3.6Å; F30-M56 VanDerWaalsContact O-CB 3.32Å; F30-M56 WeakPolarHBondContact O-CB 3.48Å; F30-L94 HydrophobicContact CZ-CD2 4.37Å | ||
| 31 | S | 94.8 | Very high | 96.4 | Very high | 16 Ų | 16 | 49.2 Ų | 49.2 | 11% | 0.112 | 25% | 0.249 | C | C | . | . | S | Bend | trans | -149.9 | -168.7 | 168.1 | 80.6 | 0 | 0 | 0 | 0 | 110 | R33 V34 E66 I180 | S31-R33 PolarHBondContact O-N 2.76Å; S31-R33 PolarHBondContact OG-N 2.86Å; S31-V34 PolarHBondContact N-O 2.98Å; S31-V34 VanDerWaalsContact N-O 3.12Å; S31-V34 WeakPolarHBondContact OG-CB 3.27Å; S31-V34 WeakPolarHBondContact OG-CG2 3.48Å; S31-V34 PolarHBondContact OG-N 3.06Å; S31-E66 VanDerWaalsContact CB-OE2 3.28Å; S31-E66 WeakPolarHBondContact CB-OE2 3.3Å; S31-E66 PolarHBondContact OG-OE2 3.18Å; S31-I180 WeakPolarHBondContact O-CD1 3.39Å |
| 32 | K | 94.9 | Very high | 96.3 | Very high | 136 Ų | 136 | 49.8 Ų | 49.8 | 59% | 0.591 | 26% | 0.263 | S | S | * | . | S | Bend | trans | -63.4 | -29.6 | 176.1 | -67.8 | 172.7 | -175.2 | 141.5 | 0 | 112.7 | E60 E66 G179 I180 | K32-E60 WeakPolarHBondContact CE-OE1 3.39Å; K32-E60 IonicContact NZ-OE1 3.64Å; K32-E60 PolarHBondContact NZ-OE1 2.87Å; K32-E66 PolarHBondContact N-OE2 3.24Å; K32-G179 WeakPolarHBondContact O-CA 3.49Å; K32-I180 WeakPolarHBondContact O-CG1 3.45Å; K32-I180 PolarHBondContact O-N 2.84Å |
| 33 | R | 96.5 | Very high | 96.3 | Very high | 46 Ų | 46 | 47.1 Ų | 47.1 | 17% | 0.174 | 26% | 0.26 | C | S | . | . | S | Bend | trans | -127.1 | 15.7 | -177.1 | -67.7 | -178.2 | -64.9 | -168.4 | 6.5 | 114 | S31 E66 G98 F99 L101 V175 K177 | S31-R33 PolarHBondContact O-N 2.76Å; S31-R33 PolarHBondContact OG-N 2.86Å; R33-E66 IonicContact CZ-OE1 2.69Å; R33-E66 PolarHBondContact N-OE2 3.39Å; R33-E66 IonicContact NE-OE1 2.7Å; R33-E66 PolarHBondContact NE-OE1 2.83Å; R33-E66 IonicContact NH2-OE1 3.02Å; R33-E66 PolarHBondContact NH2-OE1 2.84Å; R33-G98 CarbonylContact O-C 3.57Å; R33-G98 WeakPolarHBondContact O-CA 3.29Å; R33-F99 PolarHBondContact O-N 3.45Å; R33-L101 VanDerWaalsContact NH1-CD1 3.31Å; R33-V175 WeakPolarHBondContact O-CG1 3.29Å; R33-K177 WeakPolarHBondContact CD-O 3.37Å |
| 34 | V | 97.8 | Very high | 96.4 | Very high | 1 Ų | 1 | 44.7 Ų | 44.7 | 1% | 0.006 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.3 | 123.5 | 174 | -175.4 | 0 | 0 | 0 | 0 | 109.3 | F30 S31 P69 A72 I96 A97 | F30-V34 HydrophobicContact CB-CB 4.08Å; F30-V34 HydrophobicContact CB-CG1 3.83Å; F30-V34 HydrophobicContact CD2-CG1 4.25Å; F30-V34 PolarHBondContact N-O 3.32Å; S31-V34 PolarHBondContact N-O 2.98Å; S31-V34 VanDerWaalsContact N-O 3.12Å; S31-V34 WeakPolarHBondContact OG-CB 3.27Å; S31-V34 WeakPolarHBondContact OG-CG2 3.48Å; S31-V34 PolarHBondContact OG-N 3.06Å; V34-P69 HydrophobicContact CG2-CB 4.42Å; V34-P69 HydrophobicContact CG2-CG 4.23Å; V34-A72 HydrophobicContact CG1-CB 4.04Å; V34-A72 HydrophobicContact CG2-CB 4.44Å; V34-I96 HydrophobicContact CG1-CG2 3.79Å; V34-A97 WeakPolarHBondContact CA-O 3.18Å |
| 35 | L | 98.2 | Very high | 96.4 | Very high | 2 Ų | 2 | 43 Ų | 43 | 1% | 0.01 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126 | 132 | -179.3 | -176 | 66.1 | 0 | 0 | 0 | 109 | L7 M27 K29 A97 R173 V175 I180 | L7-L35 HydrophobicContact CD1-CB 4.32Å; L7-L35 HydrophobicContact CD1-CD2 3.97Å; L7-L35 HydrophobicContact CD1-CG 4.01Å; M27-L35 HydrophobicContact CB-CD1 4.04Å; M27-L35 HydrophobicContact CB-CG 4.47Å; M27-L35 HydrophobicContact SD-CD2 3.98Å; K29-L35 HydrophobicContact CG-CD1 3.98Å; L35-A97 PolarHBondContact N-O 3.43Å; L35-A97 PolarHBondContact O-N 3.02Å; L35-A97 VanDerWaalsContact O-O 3.08Å; L35-R173 HydrophobicContact CD2-CB 3.54Å; L35-R173 HydrophobicContact CD2-CG 4.13Å; L35-V175 HydrophobicContact CB-CG2 3.92Å; L35-V175 HydrophobicContact CD2-CG2 4.26Å; L35-I180 HydrophobicContact CB-CD1 3.95Å; L35-I180 HydrophobicContact CB-CG1 4.35Å; L35-I180 HydrophobicContact CD1-CD1 4.38Å; L35-I180 HydrophobicContact CD1-CG2 4.47Å; L35-I180 HydrophobicContact CD2-CG2 4Å |
| 36 | A | 98.1 | Very high | 96.4 | Very high | 0 Ų | 0 | 40.4 Ų | 40.4 | 0% | 0 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.5 | 130.1 | 173.9 | 0 | 0 | 0 | 0 | 0 | 110.6 | M27 F28 F30 V38 L94 L95 I96 | M27-A36 CarbonylContact C-O 3.52Å; M27-A36 WeakPolarHBondContact CA-O 3.43Å; F28-A36 PolarHBondContact N-O 2.92Å; F28-A36 PolarHBondContact O-N 2.92Å; F30-A36 HydrophobicContact CD1-CB 4.24Å; F30-A36 HydrophobicContact CD2-CB 3.93Å; F30-A36 HydrophobicContact CE1-CB 3.85Å; F30-A36 HydrophobicContact CE2-CB 3.5Å; F30-A36 HydrophobicContact CG-CB 4.29Å; F30-A36 HydrophobicContact CZ-CB 3.46Å; F30-A36 VanDerWaalsContact CZ-CB 3.46Å; A36-V38 HydrophobicContact CB-CG2 4.24Å; A36-L94 HydrophobicContact CB-CD2 4.47Å; A36-L95 CarbonylContact C-O 3.07Å; A36-L95 VanDerWaalsContact CA-O 3.27Å; A36-L95 WeakPolarHBondContact CA-O 3.45Å; A36-I96 HydrophobicContact CB-CG1 4.34Å |
| 37 | A | 98.2 | Very high | 96.4 | Very high | 11 Ų | 11 | 44 Ų | 44 | 9% | 0.091 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.3 | 131.3 | 164.6 | 0 | 0 | 0 | 0 | 0 | 108.9 | L7 K26 M27 L94 L95 | L7-A37 HydrophobicContact CD1-CB 4.2Å; K26-A37 WeakPolarHBondContact O-CA 3.37Å; M27-A37 HydrophobicContact CG-CB 4.08Å; A37-L94 WeakPolarHBondContact O-CA 3.44Å; A37-L95 HydrophobicContact CB-CB 4.49Å; A37-L95 PolarHBondContact N-O 2.92Å; A37-L95 PolarHBondContact O-N 2.94Å |
| 38 | V | 97.8 | Very high | 96.4 | Very high | 8 Ų | 8 | 42.8 Ų | 42.8 | 5% | 0.048 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.3 | 133.9 | -168.5 | -173.1 | 0 | 0 | 0 | 0 | 111.1 | K26 F28 A36 T45 S49 V92 N93 L94 | K26-V38 PolarHBondContact O-N 3.29Å; F28-V38 HydrophobicContact CD2-CB 4.44Å; F28-V38 HydrophobicContact CD2-CG2 4.07Å; F28-V38 HydrophobicContact CE2-CB 4.37Å; F28-V38 HydrophobicContact CE2-CG2 4.47Å; A36-V38 HydrophobicContact CB-CG2 4.24Å; V38-T45 HydrophobicContact CG1-CG2 4.07Å; V38-S49 VanDerWaalsContact CG2-OG 3.29Å; V38-S49 WeakPolarHBondContact CG2-OG 3.15Å; V38-V92 HydrophobicContact CG1-CB 4.27Å; V38-V92 HydrophobicContact CG1-CG1 4.44Å; V38-N93 WeakPolarHBondContact CA-O 3.28Å; V38-L94 HydrophobicContact CB-CG 4.49Å; V38-L94 HydrophobicContact CG1-CD2 4.46Å; V38-L94 HydrophobicContact CG1-CG 4.16Å; V38-L94 HydrophobicContact CG2-CD2 3.6Å; V38-L94 HydrophobicContact CG2-CG 3.86Å |
| 39 | C | 97 | Very high | 96.3 | Very high | 44 Ų | 44 | 41.2 Ų | 41.2 | 30% | 0.297 | 24% | 0.236 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.6 | 150.7 | 174.4 | 65.1 | 0 | 0 | 0 | 0 | 110.6 | N93 | C39-N93 PolarHBondContact N-O 3.47Å; C39-N93 PolarHBondContact O-N 2.97Å |
| 40 | G | 96.7 | Very high | 96.3 | Very high | 47 Ų | 47 | 40.8 Ų | 40.8 | 49% | 0.485 | 24% | 0.235 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | 153.9 | -152.2 | -175.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | T45 F91 | G40-T45 VanDerWaalsContact N-CG2 3.34Å; G40-F91 CarbonylContact C-O 3.58Å; G40-F91 VanDerWaalsContact CA-O 3.29Å; G40-F91 WeakPolarHBondContact CA-O 3.35Å |
| 41 | E | 95.4 | Very high | 96.4 | Very high | 107 Ų | 107 | 44.3 Ų | 44.3 | 50% | 0.5 | 25% | 0.251 | S | S | . | . | S | Bend | trans | -64.3 | 132.8 | 176.2 | -176.7 | 51.2 | -123.6 | 0 | 0 | 110.9 | G43 D44 T45 F91 | E41-G43 PolarHBondContact O-N 2.94Å; E41-D44 HydrophobicContact CB-CB 4.17Å; E41-D44 PolarHBondContact O-N 3.04Å; E41-T45 WeakPolarHBondContact O-CG2 3.49Å; E41-T45 PolarHBondContact O-N 2.84Å; E41-F91 HydrophobicContact CB-CB 4.01Å; E41-F91 PolarHBondContact N-O 3.12Å |
| 42 | S | 91.6 | Very high | 96.5 | Very high | 89 Ų | 89 | 43.6 Ų | 43.6 | 62% | 0.622 | 25% | 0.246 | S | C | * | . | H | α-helix | trans | -52.6 | -51.8 | -165.9 | 55 | 0 | 0 | 0 | 0 | 113.8 | T45 | S42-T45 PolarHBondContact O-OG1 3.47Å |
| 43 | G | 94 | Very high | 96.6 | Very high | 36 Ų | 36 | 39.1 Ų | 39.1 | 37% | 0.371 | 23% | 0.227 | S | C | . | . | H | α-helix | trans | -69.6 | -34.9 | 178.5 | 0 | 0 | 0 | 0 | 0 | 113.7 | E41 S46 Q47 | E41-G43 PolarHBondContact O-N 2.94Å; G43-S46 PolarHBondContact O-OG 3.21Å; G43-Q47 WeakPolarHBondContact O-CB 3.43Å; G43-Q47 WeakPolarHBondContact O-CG 3.45Å; G43-Q47 PolarHBondContact O-N 3.42Å |
| 44 | D | 96.6 | Very high | 96.7 | Very high | 38 Ų | 38 | 42.4 Ų | 42.4 | 20% | 0.203 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -70.7 | -37.1 | -177.4 | -68 | -3.5 | 0 | 0 | 0 | 111.3 | E41 S46 F48 Y90 F91 V92 | E41-D44 HydrophobicContact CB-CB 4.17Å; E41-D44 PolarHBondContact O-N 3.04Å; D44-S46 PolarHBondContact O-N 2.97Å; D44-F48 WeakPolarHBondContact O-CB 3.49Å; D44-F48 PolarHBondContact O-N 2.92Å; D44-Y90 HydrophobicContact CB-CD1 3.98Å; D44-F91 PolarHBondContact OD2-N 2.87Å; D44-V92 HydrophobicContact CB-CG1 3.74Å |
| 45 | T | 96.4 | Very high | 96.6 | Very high | 28 Ų | 28 | 44.9 Ų | 44.9 | 17% | 0.172 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -59.1 | -49.3 | -177.8 | 57.2 | 0 | 0 | 0 | 0 | 112.5 | V38 G40 E41 S42 S49 V92 | V38-T45 HydrophobicContact CG1-CG2 4.07Å; G40-T45 VanDerWaalsContact N-CG2 3.34Å; E41-T45 WeakPolarHBondContact O-CG2 3.49Å; E41-T45 PolarHBondContact O-N 2.84Å; S42-T45 PolarHBondContact O-OG1 3.47Å; T45-S49 WeakPolarHBondContact O-CB 3.02Å; T45-S49 PolarHBondContact O-N 3.35Å; T45-S49 PolarHBondContact O-OG 3.45Å; T45-V92 HydrophobicContact CG2-CG1 4.02Å |
| 46 | S | 95.2 | Very high | 96.5 | Very high | 44 Ų | 44 | 45.2 Ų | 45.2 | 31% | 0.308 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -70.5 | -47.9 | 179.3 | 59.7 | 0 | 0 | 0 | 0 | 111.3 | G43 D44 F48 S49 E50 | G43-S46 PolarHBondContact O-OG 3.21Å; D44-S46 PolarHBondContact O-N 2.97Å; S46-F48 PolarHBondContact O-N 2.67Å; S46-S49 PolarHBondContact O-N 2.67Å; S46-E50 WeakPolarHBondContact O-CB 3.48Å; S46-E50 WeakPolarHBondContact O-CG 3.2Å; S46-E50 PolarHBondContact O-N 2.95Å |
| 47 | Q | 96.3 | Very high | 96.4 | Very high | 118 Ų | 118 | 49.3 Ų | 49.3 | 55% | 0.551 | 28% | 0.278 | S | S | * | . | H | α-helix | trans | -61.1 | -48.2 | -176.3 | -68.1 | -73.1 | 25.6 | 0 | 0 | 112.3 | G43 F51 Y90 | G43-Q47 WeakPolarHBondContact O-CB 3.43Å; G43-Q47 WeakPolarHBondContact O-CG 3.45Å; G43-Q47 PolarHBondContact O-N 3.42Å; Q47-F51 VanDerWaalsContact O-CB 3.25Å; Q47-F51 WeakPolarHBondContact O-CB 3.36Å; Q47-F51 PolarHBondContact O-N 3.42Å; Q47-Y90 HydrophobicContact CB-CE1 4.46Å |
| 48 | F | 97.2 | Very high | 96.4 | Very high | 1 Ų | 1 | 52 Ų | 52 | 0% | 0.004 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -66.7 | -43.7 | -180 | -175 | -104.3 | 0 | 0 | 0 | 111.3 | D44 S46 F51 I52 T76 N79 M80 Y90 V92 L94 | D44-F48 WeakPolarHBondContact O-CB 3.49Å; D44-F48 PolarHBondContact O-N 2.92Å; S46-F48 PolarHBondContact O-N 2.67Å; F48-F51 PolarHBondContact O-N 2.84Å; F48-I52 HydrophobicContact CD1-CG1 4.2Å; F48-I52 HydrophobicContact CD2-CG1 4.46Å; F48-I52 HydrophobicContact CE1-CD1 4.46Å; F48-I52 HydrophobicContact CE1-CG1 3.85Å; F48-I52 HydrophobicContact CE2-CD1 4.16Å; F48-I52 HydrophobicContact CE2-CG1 4.13Å; F48-I52 HydrophobicContact CZ-CD1 3.94Å; F48-I52 HydrophobicContact CZ-CG1 3.81Å; F48-I52 VanDerWaalsContact O-CG1 3.27Å; F48-I52 WeakPolarHBondContact O-CG1 3.36Å; F48-I52 PolarHBondContact O-N 2.9Å; F48-T76 HydrophobicContact CE1-CG2 3.72Å; F48-T76 HydrophobicContact CZ-CG2 3.95Å; F48-N79 HydrophobicContact CE2-CB 4.3Å; F48-M80 HydrophobicContact CE1-CE 4.18Å; F48-M80 HydrophobicContact CE2-CB 4.37Å; F48-M80 HydrophobicContact CZ-CB 3.92Å; F48-M80 HydrophobicContact CZ-CE 4.28Å; F48-M80 HydrophobicContact CZ-CG 4.39Å; F48-Y90 HydrophobicContact CB-CD1 3.97Å; F48-Y90 HydrophobicContact CB-CE1 4.28Å; F48-Y90 HydrophobicContact CB-CG 4.1Å; F48-Y90 HydrophobicContact CD2-CD1 4.36Å; F48-Y90 AromaticContact CD2-CD2 3.41Å; F48-Y90 HydrophobicContact CD2-CD2 3.41Å; F48-Y90 VanDerWaalsContact CD2-CD2 3.41Å; F48-Y90 AromaticContact CD2-CE2 3.75Å; F48-Y90 HydrophobicContact CD2-CE2 3.75Å; F48-Y90 AromaticContact CD2-CG 3.75Å; F48-Y90 HydrophobicContact CD2-CG 3.75Å; F48-Y90 AromaticContact CE2-CD2 3.98Å; F48-Y90 HydrophobicContact CE2-CD2 3.98Å; F48-Y90 HydrophobicContact CE2-CE2 4.42Å; F48-Y90 HydrophobicContact CG-CD2 4.3Å; F48-Y90 HydrophobicContact CG-CG 4.2Å; F48-V92 HydrophobicContact CB-CG1 4.48Å; F48-V92 HydrophobicContact CB-CG2 4.46Å; F48-V92 HydrophobicContact CD1-CG2 3.68Å; F48-V92 HydrophobicContact CE1-CG2 4.09Å; F48-V92 HydrophobicContact CG-CG2 4.09Å; F48-L94 HydrophobicContact CD1-CD1 4.38Å; F48-L94 HydrophobicContact CD1-CD2 4.38Å; F48-L94 HydrophobicContact CE1-CD1 4Å; F48-L94 HydrophobicContact CE1-CD2 4.15Å |
| 49 | S | 97 | Very high | 96.4 | Very high | 0 Ų | 0 | 55.3 Ų | 55.3 | 0% | 0 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -65.9 | -42.4 | -177.8 | -54.9 | 0 | 0 | 0 | 0 | 112.5 | F28 V38 T45 S46 I52 Q53 | F28-S49 VanDerWaalsContact CG-CB 3.44Å; V38-S49 VanDerWaalsContact CG2-OG 3.29Å; V38-S49 WeakPolarHBondContact CG2-OG 3.15Å; T45-S49 WeakPolarHBondContact O-CB 3.02Å; T45-S49 PolarHBondContact O-N 3.35Å; T45-S49 PolarHBondContact O-OG 3.45Å; S46-S49 PolarHBondContact O-N 2.67Å; S49-I52 PolarHBondContact O-N 2.92Å; S49-Q53 VanDerWaalsContact O-CB 3.24Å; S49-Q53 WeakPolarHBondContact O-CB 3.43Å; S49-Q53 PolarHBondContact O-N 3.44Å |
| 50 | E | 97.3 | Very high | 96.3 | Very high | 83 Ų | 83 | 55.2 Ų | 55.2 | 39% | 0.388 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -66.1 | -42 | 176 | -72.6 | 178.8 | -164.1 | 0 | 0 | 111.6 | F28 S46 I52 Q53 Q54 | F28-E50 HydrophobicContact CE1-CG 4.22Å; S46-E50 WeakPolarHBondContact O-CB 3.48Å; S46-E50 WeakPolarHBondContact O-CG 3.2Å; S46-E50 PolarHBondContact O-N 2.95Å; E50-I52 VanDerWaalsContact C-N 3.34Å; E50-I52 PolarHBondContact O-N 3.17Å; E50-Q53 PolarHBondContact O-N 2.89Å; E50-Q54 WeakPolarHBondContact O-CB 3.28Å; E50-Q54 VanDerWaalsContact O-CG 3.25Å; E50-Q54 WeakPolarHBondContact O-CG 3.28Å; E50-Q54 PolarHBondContact O-N 3.12Å |
| 51 | F | 97.1 | Very high | 96.3 | Very high | 76 Ų | 76 | 59.7 Ų | 59.7 | 33% | 0.333 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -57.1 | -48.1 | 174.8 | 168.7 | -99.6 | 0 | 0 | 0 | 111.6 | Q47 F48 N55 N79 | Q47-F51 VanDerWaalsContact O-CB 3.25Å; Q47-F51 WeakPolarHBondContact O-CB 3.36Å; Q47-F51 PolarHBondContact O-N 3.42Å; F48-F51 PolarHBondContact O-N 2.84Å; F51-N55 VanDerWaalsContact CE2-ND2 3.27Å; F51-N55 WeakPolarHBondContact CE2-ND2 3.31Å; F51-N55 WeakPolarHBondContact CZ-ND2 3.2Å; F51-N55 PolarHBondContact O-N 2.74Å; F51-N55 PolarHBondContact O-ND2 3.26Å; F51-N79 HydrophobicContact CE1-CB 4.29Å; F51-N79 WeakPolarHBondContact CE1-OD1 3.41Å |
| 52 | I | 97.6 | Very high | 96.4 | Very high | 0 Ų | 0 | 63.5 Ų | 63.5 | 0% | 0 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -65.4 | -46.1 | 178.6 | -65 | -62.6 | 0 | 0 | 0 | 110.8 | F30 F48 S49 E50 Q54 N55 M56 F75 T76 N79 | F30-I52 HydrophobicContact CD1-CG2 4.35Å; F30-I52 HydrophobicContact CD2-CG2 3.97Å; F30-I52 HydrophobicContact CE1-CB 4.11Å; F30-I52 HydrophobicContact CE1-CG2 3.86Å; F30-I52 HydrophobicContact CE2-CB 4.37Å; F30-I52 HydrophobicContact CE2-CG2 3.43Å; F30-I52 VanDerWaalsContact CE2-CG2 3.43Å; F30-I52 HydrophobicContact CG-CG2 4.41Å; F30-I52 HydrophobicContact CZ-CB 3.82Å; F30-I52 HydrophobicContact CZ-CG2 3.37Å; F48-I52 HydrophobicContact CD1-CG1 4.2Å; F48-I52 HydrophobicContact CD2-CG1 4.46Å; F48-I52 HydrophobicContact CE1-CD1 4.46Å; F48-I52 HydrophobicContact CE1-CG1 3.85Å; F48-I52 HydrophobicContact CE2-CD1 4.16Å; F48-I52 HydrophobicContact CE2-CG1 4.13Å; F48-I52 HydrophobicContact CZ-CD1 3.94Å; F48-I52 HydrophobicContact CZ-CG1 3.81Å; F48-I52 VanDerWaalsContact O-CG1 3.27Å; F48-I52 WeakPolarHBondContact O-CG1 3.36Å; F48-I52 PolarHBondContact O-N 2.9Å; S49-I52 PolarHBondContact O-N 2.92Å; E50-I52 VanDerWaalsContact C-N 3.34Å; E50-I52 PolarHBondContact O-N 3.17Å; I52-Q54 PolarHBondContact O-N 3.27Å; I52-N55 PolarHBondContact O-N 3.2Å; I52-M56 HydrophobicContact CG2-CE 3.5Å; I52-M56 HydrophobicContact CG2-CG 4.45Å; I52-M56 HydrophobicContact CG2-SD 4.22Å; I52-M56 WeakPolarHBondContact O-CG 3.42Å; I52-M56 PolarHBondContact O-N 3.36Å; I52-F75 HydrophobicContact CD1-CD1 4.29Å; I52-F75 HydrophobicContact CD1-CE1 3.95Å; I52-T76 HydrophobicContact CD1-CG2 4.39Å; I52-T76 HydrophobicContact CG1-CG2 4.25Å; I52-T76 HydrophobicContact CG2-CG2 4.43Å; I52-N79 HydrophobicContact CD1-CB 3.96Å |
| 53 | Q | 96.9 | Very high | 96.7 | Very high | 43 Ų | 43 | 62.8 Ų | 62.8 | 20% | 0.201 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -55.5 | -48.5 | 177.9 | 176.8 | 177.7 | 50.5 | 0 | 0 | 112 | K29 F30 S49 E50 N55 M56 Q57 | K29-Q53 WeakPolarHBondContact O-CG 3.44Å; K29-Q53 PolarHBondContact O-NE2 3.01Å; F30-Q53 HydrophobicContact CD1-CB 4.07Å; F30-Q53 HydrophobicContact CE1-CB 4.35Å; S49-Q53 VanDerWaalsContact O-CB 3.24Å; S49-Q53 WeakPolarHBondContact O-CB 3.43Å; S49-Q53 PolarHBondContact O-N 3.44Å; E50-Q53 PolarHBondContact O-N 2.89Å; Q53-N55 PolarHBondContact O-N 3.02Å; Q53-M56 PolarHBondContact O-N 2.84Å; Q53-Q57 WeakPolarHBondContact O-CG 3.39Å; Q53-Q57 PolarHBondContact O-N 3.44Å |
| 54 | Q | 97.5 | Very high | 96.7 | Very high | 114 Ų | 114 | 64.3 Ų | 64.3 | 53% | 0.533 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -64.2 | -39.7 | -179.6 | -71.9 | 172.2 | -0.6 | 0 | 0 | 112.2 | E50 I52 M56 Q57 L58 | E50-Q54 WeakPolarHBondContact O-CB 3.28Å; E50-Q54 VanDerWaalsContact O-CG 3.25Å; E50-Q54 WeakPolarHBondContact O-CG 3.28Å; E50-Q54 PolarHBondContact O-N 3.12Å; I52-Q54 PolarHBondContact O-N 3.27Å; Q54-M56 VanDerWaalsContact C-N 3.35Å; Q54-Q57 PolarHBondContact O-N 2.7Å; Q54-L58 VanDerWaalsContact O-CB 3.28Å; Q54-L58 WeakPolarHBondContact O-CB 3.48Å; Q54-L58 PolarHBondContact O-N 2.72Å |
| 55 | N | 97.5 | Very high | 96.6 | Very high | 54 Ų | 54 | 68.8 Ų | 68.8 | 29% | 0.289 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -65.8 | -37.5 | 176.4 | -83.6 | -82.1 | 0 | 0 | 0 | 112.2 | F51 I52 Q53 L58 Y59 F75 | F51-N55 VanDerWaalsContact CE2-ND2 3.27Å; F51-N55 WeakPolarHBondContact CE2-ND2 3.31Å; F51-N55 WeakPolarHBondContact CZ-ND2 3.2Å; F51-N55 PolarHBondContact O-N 2.74Å; F51-N55 PolarHBondContact O-ND2 3.26Å; I52-N55 PolarHBondContact O-N 3.2Å; Q53-N55 PolarHBondContact O-N 3.02Å; N55-L58 PolarHBondContact O-N 3.42Å; N55-Y59 WeakPolarHBondContact O-CB 3.42Å; N55-Y59 PolarHBondContact O-N 3.21Å; N55-F75 HydrophobicContact CB-CE1 3.77Å; N55-F75 HydrophobicContact CB-CZ 3.72Å |
| 56 | M | 96 | Very high | 96.4 | Very high | 8 Ų | 8 | 69 Ų | 69 | 4% | 0.039 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -69.1 | -42.3 | 176.3 | -68.1 | -170.1 | -177.5 | 0 | 0 | 112.1 | F30 I52 Q53 Q54 L58 Y59 E60 L67 A72 F75 T76 | F30-M56 HydrophobicContact CB-SD 3.42Å; F30-M56 WeakPolarHBondContact CB-SD 3.46Å; F30-M56 HydrophobicContact CD2-CE 3.58Å; F30-M56 HydrophobicContact CD2-SD 3.54Å; F30-M56 VanDerWaalsContact CD2-SD 3.54Å; F30-M56 HydrophobicContact CE2-CE 4.05Å; F30-M56 HydrophobicContact CE2-SD 4.46Å; F30-M56 HydrophobicContact CG-CE 4.25Å; F30-M56 HydrophobicContact CG-SD 3.6Å; F30-M56 VanDerWaalsContact O-CB 3.32Å; F30-M56 WeakPolarHBondContact O-CB 3.48Å; I52-M56 HydrophobicContact CG2-CE 3.5Å; I52-M56 HydrophobicContact CG2-CG 4.45Å; I52-M56 HydrophobicContact CG2-SD 4.22Å; I52-M56 WeakPolarHBondContact O-CG 3.42Å; I52-M56 PolarHBondContact O-N 3.36Å; Q53-M56 PolarHBondContact O-N 2.84Å; Q54-M56 VanDerWaalsContact C-N 3.35Å; M56-L58 VanDerWaalsContact C-N 3.33Å; M56-L58 PolarHBondContact O-N 3.16Å; M56-Y59 WeakPolarHBondContact O-CB 3.25Å; M56-Y59 PolarHBondContact O-N 2.69Å; M56-E60 PolarHBondContact O-N 3.02Å; M56-L67 HydrophobicContact CG-CD1 4.22Å; M56-A72 HydrophobicContact CE-CB 3.47Å; M56-A72 VanDerWaalsContact CE-CB 3.47Å; M56-A72 VanDerWaalsContact CE-O 3.3Å; M56-A72 WeakPolarHBondContact CE-O 3.23Å; M56-A72 HydrophobicContact SD-CB 3.9Å; M56-F75 HydrophobicContact CE-CD1 4.07Å; M56-T76 WeakPolarHBondContact CE-OG1 3.46Å |
| 57 | Q | 95.7 | Very high | 96.4 | Very high | 87 Ų | 87 | 68.2 Ų | 68.2 | 41% | 0.407 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -61.4 | -42.3 | 173 | -71.4 | 177.1 | 3.9 | 0 | 0 | 111.6 | Q53 Q54 Y59 E60 I61 | Q53-Q57 WeakPolarHBondContact O-CG 3.39Å; Q53-Q57 PolarHBondContact O-N 3.44Å; Q54-Q57 PolarHBondContact O-N 2.7Å; Q57-Y59 VanDerWaalsContact C-N 3.3Å; Q57-Y59 PolarHBondContact O-N 2.96Å; Q57-E60 PolarHBondContact O-N 3.35Å; Q57-I61 VanDerWaalsContact O-CG1 3.31Å; Q57-I61 WeakPolarHBondContact O-CG1 3.37Å; Q57-I61 PolarHBondContact O-N 2.66Å |
| 58 | L | 97.6 | Very high | 96.4 | Very high | 67 Ų | 67 | 65.6 Ų | 65.6 | 35% | 0.351 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -61 | -40.4 | 174.9 | 179.6 | 62 | 0 | 0 | 0 | 111.7 | Q54 N55 M56 I61 R62 | Q54-L58 VanDerWaalsContact O-CB 3.28Å; Q54-L58 WeakPolarHBondContact O-CB 3.48Å; Q54-L58 PolarHBondContact O-N 2.72Å; N55-L58 PolarHBondContact O-N 3.42Å; M56-L58 VanDerWaalsContact C-N 3.33Å; M56-L58 PolarHBondContact O-N 3.16Å; L58-I61 PolarHBondContact O-N 2.84Å; L58-R62 HydrophobicContact CD1-CG 4.2Å; L58-R62 WeakPolarHBondContact O-CB 3.48Å; L58-R62 VanDerWaalsContact O-CG 3.32Å; L58-R62 WeakPolarHBondContact O-CG 3.45Å; L58-R62 PolarHBondContact O-N 3.01Å |
| 59 | Y | 97.2 | Very high | 96.4 | Very high | 78 Ų | 78 | 65.6 Ų | 65.6 | 31% | 0.306 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -62.1 | -45.7 | 174.9 | -173.8 | -79.7 | 0 | 0 | 0 | 111.6 | N55 M56 Q57 I61 R62 N63 Y65 L67 | N55-Y59 WeakPolarHBondContact O-CB 3.42Å; N55-Y59 PolarHBondContact O-N 3.21Å; M56-Y59 WeakPolarHBondContact O-CB 3.25Å; M56-Y59 PolarHBondContact O-N 2.69Å; Q57-Y59 VanDerWaalsContact C-N 3.3Å; Q57-Y59 PolarHBondContact O-N 2.96Å; Y59-I61 PolarHBondContact O-N 3Å; Y59-R62 PolarHBondContact O-N 2.9Å; Y59-N63 HydrophobicContact CD1-CB 4.5Å; Y59-N63 WeakPolarHBondContact CD2-ND2 3.5Å; Y59-N63 HydrophobicContact CE1-CB 4.15Å; Y59-N63 WeakPolarHBondContact CE1-ND2 3.27Å; Y59-N63 WeakPolarHBondContact CE2-ND2 3.37Å; Y59-N63 WeakPolarHBondContact O-CB 3.07Å; Y59-N63 PolarHBondContact O-N 3.35Å; Y59-N63 PolarHBondContact O-ND2 3.3Å; Y59-Y65 HydrophobicContact CE1-CD2 4.25Å; Y59-Y65 AromaticContact CE1-CE2 3.73Å; Y59-Y65 HydrophobicContact CE1-CE2 3.73Å; Y59-Y65 PolarHBondContact OH-OH 2.94Å; Y59-L67 HydrophobicContact CD1-CD1 4.39Å; Y59-L67 HydrophobicContact CD1-CD2 3.67Å; Y59-L67 HydrophobicContact CD1-CG 3.63Å; Y59-L67 HydrophobicContact CD2-CD2 4.17Å; Y59-L67 HydrophobicContact CE1-CD2 3.34Å; Y59-L67 HydrophobicContact CE1-CG 3.82Å; Y59-L67 HydrophobicContact CE2-CD2 3.87Å; Y59-L67 HydrophobicContact CG-CD1 4.29Å; Y59-L67 HydrophobicContact CG-CD2 4.07Å; Y59-L67 HydrophobicContact CG-CG 4.02Å; Y59-L67 VanDerWaalsContact CZ-CD2 3.44Å |
| 60 | E | 96 | Very high | 96.4 | Very high | 42 Ų | 42 | 67.8 Ų | 67.8 | 20% | 0.196 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -59.9 | -45.4 | 177.4 | -174.8 | 179.7 | 175.1 | 0 | 0 | 111.2 | K32 M56 Q57 R62 G64 Y65 | K32-E60 WeakPolarHBondContact CE-OE1 3.39Å; K32-E60 IonicContact NZ-OE1 3.64Å; K32-E60 PolarHBondContact NZ-OE1 2.87Å; M56-E60 PolarHBondContact O-N 3.02Å; Q57-E60 PolarHBondContact O-N 3.35Å; E60-R62 PolarHBondContact O-N 3.35Å; E60-G64 VanDerWaalsContact O-CA 3.31Å; E60-G64 WeakPolarHBondContact O-CA 3.45Å; E60-G64 PolarHBondContact O-N 3.17Å; E60-Y65 WeakPolarHBondContact CA-O 3.39Å |
| 61 | I | 96.8 | Very high | 96.4 | Very high | 141 Ų | 141 | 65.6 Ų | 65.6 | 72% | 0.723 | 33% | 0.334 | S | S | * | . | H | α-helix | trans | -64.1 | -42.1 | 178.8 | -66.8 | 166.1 | 0 | 0 | 0 | 111.5 | Q57 L58 Y59 | Q57-I61 VanDerWaalsContact O-CG1 3.31Å; Q57-I61 WeakPolarHBondContact O-CG1 3.37Å; Q57-I61 PolarHBondContact O-N 2.66Å; L58-I61 PolarHBondContact O-N 2.84Å; Y59-I61 PolarHBondContact O-N 3Å |
| 62 | R | 97.4 | Very high | 96.5 | Very high | 187 Ų | 187 | 62 Ų | 62 | 71% | 0.706 | 32% | 0.318 | S | S | * | . | H | α-helix | trans | -71.3 | -38.9 | -177.4 | -77.8 | 179 | 176.3 | 176.1 | 1.4 | 113.3 | L58 Y59 E60 | L58-R62 HydrophobicContact CD1-CG 4.2Å; L58-R62 WeakPolarHBondContact O-CB 3.48Å; L58-R62 VanDerWaalsContact O-CG 3.32Å; L58-R62 WeakPolarHBondContact O-CG 3.45Å; L58-R62 PolarHBondContact O-N 3.01Å; Y59-R62 PolarHBondContact O-N 2.9Å; E60-R62 PolarHBondContact O-N 3.35Å |
| 63 | N | 96.8 | Very high | 96.5 | Very high | 73 Ų | 73 | 62 Ų | 62 | 39% | 0.39 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -103.4 | -14.4 | -171.6 | -60 | -72 | 0 | 0 | 0 | 113.5 | Y59 Y65 | Y59-N63 HydrophobicContact CD1-CB 4.5Å; Y59-N63 WeakPolarHBondContact CD2-ND2 3.5Å; Y59-N63 HydrophobicContact CE1-CB 4.15Å; Y59-N63 WeakPolarHBondContact CE1-ND2 3.27Å; Y59-N63 WeakPolarHBondContact CE2-ND2 3.37Å; Y59-N63 WeakPolarHBondContact O-CB 3.07Å; Y59-N63 PolarHBondContact O-N 3.35Å; Y59-N63 PolarHBondContact O-ND2 3.3Å; N63-Y65 VanDerWaalsContact C-N 3.31Å; N63-Y65 HydrophobicContact CB-CD1 4.01Å; N63-Y65 HydrophobicContact CB-CE1 3.61Å; N63-Y65 WeakPolarHBondContact O-CD1 3.48Å |
| 64 | G | 94.6 | Very high | 96.5 | Very high | 69 Ų | 69 | 62.8 Ų | 62.8 | 71% | 0.711 | 32% | 0.324 | S | S | * | . | S | Bend | trans | 79.3 | 7.6 | -179.7 | 0 | 0 | 0 | 0 | 0 | 114.7 | E60 | E60-G64 VanDerWaalsContact O-CA 3.31Å; E60-G64 WeakPolarHBondContact O-CA 3.45Å; E60-G64 PolarHBondContact O-N 3.17Å |
| 65 | Y | 93.5 | Very high | 96.6 | Very high | 131 Ų | 131 | 60.4 Ų | 60.4 | 51% | 0.514 | 31% | 0.312 | S | S | . | . | S | Bend | trans | -146 | 151.9 | 176.7 | 60.4 | -93.1 | 0 | 0 | 0 | 110.9 | Y59 E60 N63 | Y59-Y65 HydrophobicContact CE1-CD2 4.25Å; Y59-Y65 AromaticContact CE1-CE2 3.73Å; Y59-Y65 HydrophobicContact CE1-CE2 3.73Å; Y59-Y65 PolarHBondContact OH-OH 2.94Å; E60-Y65 WeakPolarHBondContact CA-O 3.39Å; N63-Y65 VanDerWaalsContact C-N 3.31Å; N63-Y65 HydrophobicContact CB-CD1 4.01Å; N63-Y65 HydrophobicContact CB-CE1 3.61Å; N63-Y65 WeakPolarHBondContact O-CD1 3.48Å |
| 66 | E | 93.6 | Very high | 96.6 | Very high | 34 Ų | 34 | 57.9 Ų | 57.9 | 16% | 0.159 | 30% | 0.298 | C | S | . | . | P | Polyproline II helix | trans | -79.4 | 154.5 | 177.7 | 68.9 | -176.7 | 153.8 | 0 | 0 | 112.4 | S31 K32 R33 | S31-E66 VanDerWaalsContact CB-OE2 3.28Å; S31-E66 WeakPolarHBondContact CB-OE2 3.3Å; S31-E66 PolarHBondContact OG-OE2 3.18Å; K32-E66 PolarHBondContact N-OE2 3.24Å; R33-E66 IonicContact CZ-OE1 2.69Å; R33-E66 PolarHBondContact N-OE2 3.39Å; R33-E66 IonicContact NE-OE1 2.7Å; R33-E66 PolarHBondContact NE-OE1 2.83Å; R33-E66 IonicContact NH2-OE1 3.02Å; R33-E66 PolarHBondContact NH2-OE1 2.84Å |
| 67 | L | 94.8 | Very high | 96.7 | Very high | 26 Ų | 26 | 61.2 Ų | 61.2 | 14% | 0.136 | 31% | 0.31 | C | S | . | . | P | Polyproline II helix | trans | -66.5 | 144.4 | 171.7 | -71.1 | 173.3 | 0 | 0 | 0 | 110.8 | M56 Y59 A71 A72 | M56-L67 HydrophobicContact CG-CD1 4.22Å; Y59-L67 HydrophobicContact CD1-CD1 4.39Å; Y59-L67 HydrophobicContact CD1-CD2 3.67Å; Y59-L67 HydrophobicContact CD1-CG 3.63Å; Y59-L67 HydrophobicContact CD2-CD2 4.17Å; Y59-L67 HydrophobicContact CE1-CD2 3.34Å; Y59-L67 HydrophobicContact CE1-CG 3.82Å; Y59-L67 HydrophobicContact CE2-CD2 3.87Å; Y59-L67 HydrophobicContact CG-CD1 4.29Å; Y59-L67 HydrophobicContact CG-CD2 4.07Å; Y59-L67 HydrophobicContact CG-CG 4.02Å; Y59-L67 VanDerWaalsContact CZ-CD2 3.44Å; L67-A71 HydrophobicContact CB-CB 4.29Å; L67-A71 HydrophobicContact CD2-CB 4.03Å; L67-A72 HydrophobicContact CB-CB 4.37Å |
| 68 | T | 96.2 | Very high | 96.8 | Very high | 63 Ų | 63 | 60.3 Ų | 60.3 | 39% | 0.387 | 31% | 0.308 | S | S | . | . | P | Polyproline II helix | trans | -64.3 | 154 | 167.7 | 64.3 | 0 | 0 | 0 | 0 | 110.1 | S70 A71 A72 | T68-S70 VanDerWaalsContact C-N 3.26Å; T68-S70 PolarHBondContact O-N 2.84Å; T68-A71 PolarHBondContact O-N 3.01Å; T68-A71 WeakPolarHBondContact OG1-CB 3.22Å; T68-A71 PolarHBondContact OG1-N 3.29Å; T68-A72 WeakPolarHBondContact O-CB 3.41Å; T68-A72 PolarHBondContact O-N 3.22Å |
| 69 | P | 97.3 | Very high | 96.7 | Very high | 2 Ų | 2 | 58.6 Ų | 58.6 | 1% | 0.013 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -54.2 | -42.1 | 177.7 | -24.5 | 33.6 | 0 | 0 | 0 | 112.7 | V34 A71 A72 A73 D100 E106 Y108 | V34-P69 HydrophobicContact CG2-CB 4.42Å; V34-P69 HydrophobicContact CG2-CG 4.23Å; P69-A71 PolarHBondContact O-N 2.95Å; P69-A72 PolarHBondContact O-N 3.35Å; P69-A73 VanDerWaalsContact O-CB 3.27Å; P69-A73 WeakPolarHBondContact O-CB 3.4Å; P69-A73 PolarHBondContact O-N 3.37Å; P69-D100 HydrophobicContact CG-CB 4.26Å; P69-E106 HydrophobicContact CB-CB 4.2Å; P69-Y108 HydrophobicContact CB-CE2 4.39Å |
| 70 | S | 97.6 | Very high | 96.6 | Very high | 45 Ų | 45 | 54.9 Ų | 54.9 | 32% | 0.315 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -58.9 | -44.4 | 173.1 | -176.2 | 0 | 0 | 0 | 0 | 113.7 | T68 A73 N74 E106 Y108 | T68-S70 VanDerWaalsContact C-N 3.26Å; T68-S70 PolarHBondContact O-N 2.84Å; S70-A73 PolarHBondContact O-N 3.41Å; S70-N74 WeakPolarHBondContact O-CB 3.43Å; S70-N74 PolarHBondContact O-N 3.35Å; S70-N74 PolarHBondContact O-ND2 2.86Å; S70-E106 PolarHBondContact N-OE2 3.2Å; S70-Y108 WeakPolarHBondContact CA-OH 3.49Å; S70-Y108 VanDerWaalsContact CB-OH 3.22Å; S70-Y108 WeakPolarHBondContact CB-OH 3.38Å; S70-Y108 PolarHBondContact OG-OH 3.31Å |
| 71 | A | 97.4 | Very high | 96.7 | Very high | 37 Ų | 37 | 54.6 Ų | 54.6 | 31% | 0.306 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -68 | -41.7 | 177.9 | 0 | 0 | 0 | 0 | 0 | 111.3 | L67 T68 P69 A73 N74 F75 | L67-A71 HydrophobicContact CB-CB 4.29Å; L67-A71 HydrophobicContact CD2-CB 4.03Å; T68-A71 PolarHBondContact O-N 3.01Å; T68-A71 WeakPolarHBondContact OG1-CB 3.22Å; T68-A71 PolarHBondContact OG1-N 3.29Å; P69-A71 PolarHBondContact O-N 2.95Å; A71-A73 PolarHBondContact O-N 2.84Å; A71-N74 PolarHBondContact O-N 3.4Å; A71-F75 WeakPolarHBondContact O-CB 3.33Å; A71-F75 PolarHBondContact O-N 3.49Å |
| 72 | A | 97.9 | Very high | 96.7 | Very high | 0 Ų | 0 | 54.9 Ų | 54.9 | 0% | 0 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -60.2 | -44.7 | 175.1 | 0 | 0 | 0 | 0 | 0 | 111.8 | V34 M56 L67 T68 P69 F75 T76 | V34-A72 HydrophobicContact CG1-CB 4.04Å; V34-A72 HydrophobicContact CG2-CB 4.44Å; M56-A72 HydrophobicContact CE-CB 3.47Å; M56-A72 VanDerWaalsContact CE-CB 3.47Å; M56-A72 VanDerWaalsContact CE-O 3.3Å; M56-A72 WeakPolarHBondContact CE-O 3.23Å; M56-A72 HydrophobicContact SD-CB 3.9Å; L67-A72 HydrophobicContact CB-CB 4.37Å; T68-A72 WeakPolarHBondContact O-CB 3.41Å; T68-A72 PolarHBondContact O-N 3.22Å; P69-A72 PolarHBondContact O-N 3.35Å; A72-F75 PolarHBondContact O-N 2.87Å; A72-T76 WeakPolarHBondContact O-CB 3.32Å; A72-T76 PolarHBondContact O-N 2.87Å; A72-T76 PolarHBondContact O-OG1 3.26Å |
| 73 | A | 98.1 | Very high | 96.5 | Very high | 0 Ų | 0 | 46.5 Ų | 46.5 | 0% | 0 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -63.5 | -44.8 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | P69 S70 A71 T76 R77 I96 Y108 L116 | P69-A73 VanDerWaalsContact O-CB 3.27Å; P69-A73 WeakPolarHBondContact O-CB 3.4Å; P69-A73 PolarHBondContact O-N 3.37Å; S70-A73 PolarHBondContact O-N 3.41Å; A71-A73 PolarHBondContact O-N 2.84Å; A73-T76 PolarHBondContact O-N 2.97Å; A73-R77 WeakPolarHBondContact O-CB 2.96Å; A73-R77 PolarHBondContact O-N 2.81Å; A73-I96 HydrophobicContact CB-CD1 4.15Å; A73-Y108 HydrophobicContact CB-CD1 3.99Å; A73-Y108 HydrophobicContact CB-CD2 3.86Å; A73-Y108 HydrophobicContact CB-CE1 4.34Å; A73-Y108 HydrophobicContact CB-CE2 4.24Å; A73-Y108 HydrophobicContact CB-CG 3.73Å; A73-L116 HydrophobicContact CB-CD1 4.11Å; A73-L116 HydrophobicContact CB-CD2 3.98Å |
| 74 | N | 98.2 | Very high | 96.4 | Very high | 61 Ų | 61 | 46 Ų | 46 | 33% | 0.326 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -68.5 | -38.1 | 177.4 | -81.5 | -72.6 | 0 | 0 | 0 | 113.1 | S70 A71 T76 R77 N78 | S70-N74 WeakPolarHBondContact O-CB 3.43Å; S70-N74 PolarHBondContact O-N 3.35Å; S70-N74 PolarHBondContact O-ND2 2.86Å; A71-N74 PolarHBondContact O-N 3.4Å; N74-T76 VanDerWaalsContact C-N 3.35Å; N74-R77 PolarHBondContact O-N 2.64Å; N74-N78 WeakPolarHBondContact O-CB 3.38Å; N74-N78 PolarHBondContact O-N 3.5Å; N74-N78 PolarHBondContact O-ND2 3.25Å |
| 75 | F | 97.9 | Very high | 96.4 | Very high | 64 Ų | 64 | 54 Ų | 54 | 28% | 0.281 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -60.7 | -46.2 | 173.6 | 176.1 | -102 | 0 | 0 | 0 | 111.1 | I52 N55 M56 A71 A72 N78 N79 | I52-F75 HydrophobicContact CD1-CD1 4.29Å; I52-F75 HydrophobicContact CD1-CE1 3.95Å; N55-F75 HydrophobicContact CB-CE1 3.77Å; N55-F75 HydrophobicContact CB-CZ 3.72Å; M56-F75 HydrophobicContact CE-CD1 4.07Å; A71-F75 WeakPolarHBondContact O-CB 3.33Å; A71-F75 PolarHBondContact O-N 3.49Å; A72-F75 PolarHBondContact O-N 2.87Å; F75-N78 PolarHBondContact O-N 3.01Å; F75-N79 WeakPolarHBondContact CE1-ND2 3.31Å; F75-N79 VanDerWaalsContact CE2-ND2 3.34Å; F75-N79 WeakPolarHBondContact CE2-ND2 3.37Å; F75-N79 WeakPolarHBondContact CZ-ND2 3.46Å; F75-N79 PolarHBondContact O-N 3.03Å; F75-N79 VanDerWaalsContact O-N 3.16Å; F75-N79 PolarHBondContact O-ND2 3.28Å |
| 76 | T | 98 | Very high | 96.4 | Very high | 0 Ų | 0 | 50.6 Ų | 50.6 | 0% | 0 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -60.9 | -46.8 | 177.1 | -53 | 0 | 0 | 0 | 0 | 111.2 | F48 I52 M56 A72 A73 N74 N78 N79 M80 L94 I96 L110 | F48-T76 HydrophobicContact CE1-CG2 3.72Å; F48-T76 HydrophobicContact CZ-CG2 3.95Å; I52-T76 HydrophobicContact CD1-CG2 4.39Å; I52-T76 HydrophobicContact CG1-CG2 4.25Å; I52-T76 HydrophobicContact CG2-CG2 4.43Å; M56-T76 WeakPolarHBondContact CE-OG1 3.46Å; A72-T76 WeakPolarHBondContact O-CB 3.32Å; A72-T76 PolarHBondContact O-N 2.87Å; A72-T76 PolarHBondContact O-OG1 3.26Å; A73-T76 PolarHBondContact O-N 2.97Å; N74-T76 VanDerWaalsContact C-N 3.35Å; T76-N78 PolarHBondContact O-N 3.18Å; T76-N79 PolarHBondContact O-N 3.43Å; T76-M80 PolarHBondContact O-N 3.09Å; T76-L94 HydrophobicContact CG2-CD2 4.08Å; T76-I96 HydrophobicContact CG2-CD1 4.06Å; T76-L110 HydrophobicContact CG2-CD2 3.83Å |
| 77 | R | 97.9 | Very high | 96.4 | Very high | 78 Ų | 78 | 60.8 Ų | 60.8 | 29% | 0.294 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -57.5 | -44.6 | 176 | -172 | -165.1 | 70.8 | 75.4 | 0.6 | 112.4 | A73 N74 M80 A81 L110 A114 L116 | A73-R77 WeakPolarHBondContact O-CB 2.96Å; A73-R77 PolarHBondContact O-N 2.81Å; N74-R77 PolarHBondContact O-N 2.64Å; R77-M80 PolarHBondContact O-N 2.96Å; R77-A81 VanDerWaalsContact O-CB 3.31Å; R77-A81 WeakPolarHBondContact O-CB 3.21Å; R77-A81 PolarHBondContact O-N 3.49Å; R77-L110 HydrophobicContact CB-CD1 4.17Å; R77-L110 HydrophobicContact CB-CD2 4.47Å; R77-L110 HydrophobicContact CG-CD1 3.99Å; R77-A114 HydrophobicContact CG-CB 4.26Å; R77-A114 WeakPolarHBondContact CG-O 3.32Å; R77-L116 HydrophobicContact CB-CB 4.41Å; R77-L116 HydrophobicContact CB-CD2 4.32Å; R77-L116 VanDerWaalsContact CD-CB 3.41Å; R77-L116 HydrophobicContact CG-CB 3.98Å |
| 78 | N | 97.3 | Very high | 96.3 | Very high | 68 Ų | 68 | 63.7 Ų | 63.7 | 36% | 0.364 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -62.7 | -48.7 | -179.4 | -73.4 | -14.8 | 0 | 0 | 0 | 111.7 | N74 F75 T76 M80 A81 E82 | N74-N78 WeakPolarHBondContact O-CB 3.38Å; N74-N78 PolarHBondContact O-N 3.5Å; N74-N78 PolarHBondContact O-ND2 3.25Å; F75-N78 PolarHBondContact O-N 3.01Å; T76-N78 PolarHBondContact O-N 3.18Å; N78-M80 VanDerWaalsContact C-N 3.29Å; N78-M80 PolarHBondContact O-N 3.31Å; N78-A81 PolarHBondContact O-N 3.48Å; N78-E82 WeakPolarHBondContact O-CG 3.39Å; N78-E82 PolarHBondContact O-N 3.31Å |
| 79 | N | 96.7 | Very high | 96.2 | Very high | 31 Ų | 31 | 62.4 Ų | 62.4 | 17% | 0.166 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -60.9 | -39.5 | 177.7 | -76.3 | -86.9 | 0 | 0 | 0 | 111.8 | F48 F51 I52 F75 T76 S83 | F48-N79 HydrophobicContact CE2-CB 4.3Å; F51-N79 HydrophobicContact CE1-CB 4.29Å; F51-N79 WeakPolarHBondContact CE1-OD1 3.41Å; I52-N79 HydrophobicContact CD1-CB 3.96Å; F75-N79 WeakPolarHBondContact CE1-ND2 3.31Å; F75-N79 VanDerWaalsContact CE2-ND2 3.34Å; F75-N79 WeakPolarHBondContact CE2-ND2 3.37Å; F75-N79 WeakPolarHBondContact CZ-ND2 3.46Å; F75-N79 PolarHBondContact O-N 3.03Å; F75-N79 VanDerWaalsContact O-N 3.16Å; F75-N79 PolarHBondContact O-ND2 3.28Å; T76-N79 PolarHBondContact O-N 3.43Å; N79-S83 PolarHBondContact O-N 3.48Å |
| 80 | M | 95.7 | Very high | 96.1 | Very high | 1 Ų | 1 | 65.8 Ų | 65.8 | 1% | 0.005 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -66.5 | -45.2 | 176.2 | -161.3 | -168.7 | -46.7 | 0 | 0 | 112 | F48 T76 R77 N78 E82 S83 L84 V92 L94 L110 A114 | F48-M80 HydrophobicContact CE1-CE 4.18Å; F48-M80 HydrophobicContact CE2-CB 4.37Å; F48-M80 HydrophobicContact CZ-CB 3.92Å; F48-M80 HydrophobicContact CZ-CE 4.28Å; F48-M80 HydrophobicContact CZ-CG 4.39Å; T76-M80 PolarHBondContact O-N 3.09Å; R77-M80 PolarHBondContact O-N 2.96Å; N78-M80 VanDerWaalsContact C-N 3.29Å; N78-M80 PolarHBondContact O-N 3.31Å; M80-E82 VanDerWaalsContact C-N 3.31Å; M80-E82 PolarHBondContact O-N 3.08Å; M80-S83 PolarHBondContact O-N 2.98Å; M80-S83 VanDerWaalsContact O-N 3.13Å; M80-S83 PolarHBondContact O-OG 2.73Å; M80-L84 PolarHBondContact O-N 3.44Å; M80-V92 HydrophobicContact CE-CG2 4.37Å; M80-L94 HydrophobicContact CE-CD1 3.42Å; M80-L94 VanDerWaalsContact CE-CD1 3.42Å; M80-L110 HydrophobicContact CE-CD1 4.05Å; M80-L110 HydrophobicContact CE-CD2 3.39Å; M80-L110 HydrophobicContact CE-CG 3.46Å; M80-L110 VanDerWaalsContact CE-CG 3.46Å; M80-A114 HydrophobicContact CB-CB 3.99Å; M80-A114 HydrophobicContact CG-CB 4.21Å; M80-A114 HydrophobicContact SD-CB 4.1Å |
| 81 | A | 97.1 | Very high | 96.1 | Very high | 36 Ų | 36 | 68.8 Ų | 68.8 | 30% | 0.298 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -62.7 | -36.8 | 178.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | R77 N78 A114 | R77-A81 VanDerWaalsContact O-CB 3.31Å; R77-A81 WeakPolarHBondContact O-CB 3.21Å; R77-A81 PolarHBondContact O-N 3.49Å; N78-A81 PolarHBondContact O-N 3.48Å; A81-A114 HydrophobicContact CB-CB 3.71Å |
| 82 | E | 95.9 | Very high | 96.1 | Very high | 146 Ų | 146 | 67 Ų | 67 | 68% | 0.682 | 32% | 0.318 | S | S | * | . | H | α-helix | trans | -65.1 | -44.9 | 172.1 | -74 | 176.3 | -166.9 | 0 | 0 | 111.3 | N78 M80 L84 | N78-E82 WeakPolarHBondContact O-CG 3.39Å; N78-E82 PolarHBondContact O-N 3.31Å; M80-E82 VanDerWaalsContact C-N 3.31Å; M80-E82 PolarHBondContact O-N 3.08Å; E82-L84 VanDerWaalsContact C-N 3.28Å; E82-L84 PolarHBondContact O-N 2.76Å |
| 83 | S | 95 | Very high | 96.1 | Very high | 12 Ų | 12 | 68.6 Ų | 68.6 | 8% | 0.084 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -63.5 | -32.8 | 177.6 | 81.4 | 0 | 0 | 0 | 0 | 112.9 | N79 M80 R85 S86 P89 | N79-S83 PolarHBondContact O-N 3.48Å; M80-S83 PolarHBondContact O-N 2.98Å; M80-S83 VanDerWaalsContact O-N 3.13Å; M80-S83 PolarHBondContact O-OG 2.73Å; S83-R85 PolarHBondContact O-N 3.12Å; S83-R85 VanDerWaalsContact O-N 3.14Å; S83-S86 VanDerWaalsContact O-CB 3.25Å; S83-S86 WeakPolarHBondContact O-CB 3.42Å; S83-S86 PolarHBondContact O-N 2.97Å; S83-S86 PolarHBondContact O-OG 2.95Å; S83-P89 WeakPolarHBondContact O-CA 3.48Å |
| 84 | L | 94.6 | Very high | 96.1 | Very high | 63 Ų | 63 | 68.6 Ų | 68.6 | 33% | 0.33 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -59 | -30.5 | -173.9 | -175.6 | 62.8 | 0 | 0 | 0 | 113.3 | M80 E82 L113 | M80-L84 PolarHBondContact O-N 3.44Å; E82-L84 VanDerWaalsContact C-N 3.28Å; E82-L84 PolarHBondContact O-N 2.76Å; L84-L113 HydrophobicContact CD1-CD2 4.17Å; L84-L113 HydrophobicContact CD2-CD2 4.4Å |
| 85 | R | 93.6 | Very high | 96.1 | Very high | 237 Ų | 237 | 66.7 Ų | 66.7 | 89% | 0.894 | 32% | 0.316 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -104.5 | 7.6 | 177.4 | -61 | -174.8 | -175 | 170.9 | 2.6 | 113.3 | S83 | S83-R85 PolarHBondContact O-N 3.12Å; S83-R85 VanDerWaalsContact O-N 3.14Å |
| 86 | S | 94.1 | Very high | 96.1 | Very high | 59 Ų | 59 | 63.6 Ų | 63.6 | 41% | 0.413 | 30% | 0.302 | S | S | . | . | S | Bend | trans | -84.2 | -178.3 | 175.6 | 84.3 | 0 | 0 | 0 | 0 | 111.2 | S83 S88 | S83-S86 VanDerWaalsContact O-CB 3.25Å; S83-S86 WeakPolarHBondContact O-CB 3.42Å; S83-S86 PolarHBondContact O-N 2.97Å; S83-S86 PolarHBondContact O-OG 2.95Å; S86-S88 PolarHBondContact O-N 3.17Å; S86-S88 PolarHBondContact OG-N 2.8Å; S86-S88 PolarHBondContact OG-O 2.8Å |
| 87 | R | 93.5 | Very high | 96.2 | Very high | 247 Ų | 247 | 63.6 Ų | 63.6 | 93% | 0.932 | 30% | 0.302 | S | S | * | . | S | Bend | trans | -74.6 | -12.8 | 172.6 | -65.8 | -177.3 | 67 | 159.3 | 0.9 | 113.4 | ||
| 88 | S | 91.7 | Very high | 96.1 | Very high | 87 Ų | 87 | 59.9 Ų | 59.9 | 61% | 0.608 | 29% | 0.288 | S | S | * | . | S | Bend | trans | -137 | 72.5 | -174.2 | -60.7 | 0 | 0 | 0 | 0 | 109.4 | S86 | S86-S88 PolarHBondContact O-N 3.17Å; S86-S88 PolarHBondContact OG-N 2.8Å; S86-S88 PolarHBondContact OG-O 2.8Å |
| 89 | P | 94.6 | Very high | 96.2 | Very high | 37 Ų | 37 | 57.5 Ų | 57.5 | 24% | 0.24 | 28% | 0.275 | C | S | . | . | trans | -67.4 | 138.6 | 174.8 | 30 | -34.7 | 0 | 0 | 0 | 110.3 | S83 F91 | S83-P89 WeakPolarHBondContact O-CA 3.48Å; P89-F91 HydrophobicContact CB-CE2 4.47Å; P89-F91 HydrophobicContact CG-CE2 3.82Å; P89-F91 HydrophobicContact CG-CZ 4.16Å | ||
| 90 | Y | 96.2 | Very high | 96.1 | Very high | 72 Ų | 72 | 56.8 Ų | 56.8 | 28% | 0.282 | 27% | 0.271 | S | S | . | . | trans | -83.9 | 120.8 | 172.6 | -67 | -70.7 | 0 | 0 | 0 | 110.5 | D44 Q47 F48 V92 | D44-Y90 HydrophobicContact CB-CD1 3.98Å; Q47-Y90 HydrophobicContact CB-CE1 4.46Å; F48-Y90 HydrophobicContact CB-CD1 3.97Å; F48-Y90 HydrophobicContact CB-CE1 4.28Å; F48-Y90 HydrophobicContact CB-CG 4.1Å; F48-Y90 HydrophobicContact CD2-CD1 4.36Å; F48-Y90 AromaticContact CD2-CD2 3.41Å; F48-Y90 HydrophobicContact CD2-CD2 3.41Å; F48-Y90 VanDerWaalsContact CD2-CD2 3.41Å; F48-Y90 AromaticContact CD2-CE2 3.75Å; F48-Y90 HydrophobicContact CD2-CE2 3.75Å; F48-Y90 AromaticContact CD2-CG 3.75Å; F48-Y90 HydrophobicContact CD2-CG 3.75Å; F48-Y90 AromaticContact CE2-CD2 3.98Å; F48-Y90 HydrophobicContact CE2-CD2 3.98Å; F48-Y90 HydrophobicContact CE2-CE2 4.42Å; F48-Y90 HydrophobicContact CG-CD2 4.3Å; F48-Y90 HydrophobicContact CG-CG 4.2Å; Y90-V92 PolarHBondContact O-N 2.93Å | ||
| 91 | F | 96 | Very high | 96 | Very high | 108 Ų | 108 | 62.4 Ų | 62.4 | 47% | 0.474 | 30% | 0.3 | S | S | . | . | trans | -91.1 | 72.8 | 175.7 | -72.4 | -80.6 | 0 | 0 | 0 | 111.1 | G40 E41 D44 P89 Y112 | G40-F91 CarbonylContact C-O 3.58Å; G40-F91 VanDerWaalsContact CA-O 3.29Å; G40-F91 WeakPolarHBondContact CA-O 3.35Å; E41-F91 HydrophobicContact CB-CB 4.01Å; E41-F91 PolarHBondContact N-O 3.12Å; D44-F91 PolarHBondContact OD2-N 2.87Å; P89-F91 HydrophobicContact CB-CE2 4.47Å; P89-F91 HydrophobicContact CG-CE2 3.82Å; P89-F91 HydrophobicContact CG-CZ 4.16Å; F91-Y112 HydrophobicContact CD1-CD2 4.27Å | ||
| 92 | V | 97.6 | Very high | 95.8 | Very high | 0 Ų | 0 | 69.5 Ų | 69.5 | 0% | 0 | 33% | 0.327 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129 | 144.5 | -176.3 | -64.3 | 0 | 0 | 0 | 0 | 111.7 | V38 D44 T45 F48 M80 Y90 L94 Y112 | V38-V92 HydrophobicContact CG1-CB 4.27Å; V38-V92 HydrophobicContact CG1-CG1 4.44Å; D44-V92 HydrophobicContact CB-CG1 3.74Å; T45-V92 HydrophobicContact CG2-CG1 4.02Å; F48-V92 HydrophobicContact CB-CG1 4.48Å; F48-V92 HydrophobicContact CB-CG2 4.46Å; F48-V92 HydrophobicContact CD1-CG2 3.68Å; F48-V92 HydrophobicContact CE1-CG2 4.09Å; F48-V92 HydrophobicContact CG-CG2 4.09Å; M80-V92 HydrophobicContact CE-CG2 4.37Å; Y90-V92 PolarHBondContact O-N 2.93Å; V92-L94 HydrophobicContact CB-CD1 4.25Å; V92-L94 HydrophobicContact CG2-CD1 3.79Å; V92-Y112 WeakPolarHBondContact O-CA 3.48Å; V92-Y112 WeakPolarHBondContact O-CB 3.38Å; V92-Y112 PolarHBondContact O-N 3.46Å |
| 93 | N | 98.2 | Very high | 95.7 | Very high | 34 Ų | 34 | 66.6 Ų | 66.6 | 18% | 0.182 | 32% | 0.32 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.5 | 138.6 | 171 | -63.4 | -78.1 | 0 | 0 | 0 | 108.3 | V38 C39 D111 Y112 | V38-N93 WeakPolarHBondContact CA-O 3.28Å; C39-N93 PolarHBondContact N-O 3.47Å; C39-N93 PolarHBondContact O-N 2.97Å; N93-D111 WeakPolarHBondContact OD1-CA 3.34Å; N93-Y112 PolarHBondContact OD1-N 2.98Å |
| 94 | L | 98.2 | Very high | 95.8 | Very high | 0 Ų | 0 | 66.7 Ų | 66.7 | 0% | 0 | 32% | 0.322 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.5 | 137.8 | -173.8 | -59.8 | 94.1 | 0 | 0 | 0 | 111.7 | F30 A36 A37 V38 F48 T76 M80 V92 I96 L110 H124 | F30-L94 HydrophobicContact CZ-CD2 4.37Å; A36-L94 HydrophobicContact CB-CD2 4.47Å; A37-L94 WeakPolarHBondContact O-CA 3.44Å; V38-L94 HydrophobicContact CB-CG 4.49Å; V38-L94 HydrophobicContact CG1-CD2 4.46Å; V38-L94 HydrophobicContact CG1-CG 4.16Å; V38-L94 HydrophobicContact CG2-CD2 3.6Å; V38-L94 HydrophobicContact CG2-CG 3.86Å; F48-L94 HydrophobicContact CD1-CD1 4.38Å; F48-L94 HydrophobicContact CD1-CD2 4.38Å; F48-L94 HydrophobicContact CE1-CD1 4Å; F48-L94 HydrophobicContact CE1-CD2 4.15Å; T76-L94 HydrophobicContact CG2-CD2 4.08Å; M80-L94 HydrophobicContact CE-CD1 3.42Å; M80-L94 VanDerWaalsContact CE-CD1 3.42Å; V92-L94 HydrophobicContact CB-CD1 4.25Å; V92-L94 HydrophobicContact CG2-CD1 3.79Å; L94-I96 HydrophobicContact CB-CG1 4.3Å; L94-L110 HydrophobicContact CB-CB 4.33Å; L94-L110 HydrophobicContact CD1-CD2 4.29Å; L94-L110 PolarHBondContact N-O 3.2Å; L94-L110 PolarHBondContact O-N 3.49Å; L94-H124 PolarHBondContact O-NE2 3.25Å |
| 95 | L | 98.5 | Very high | 95.9 | Very high | 20 Ų | 20 | 65.7 Ų | 65.7 | 11% | 0.105 | 32% | 0.32 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.9 | 121.8 | 156.1 | -59.9 | -176.1 | 0 | 0 | 0 | 108.4 | L7 A36 A37 L107 Y108 Y109 A122 | L7-L95 HydrophobicContact CD2-CB 4.05Å; L7-L95 HydrophobicContact CD2-CD1 4.33Å; A36-L95 CarbonylContact C-O 3.07Å; A36-L95 VanDerWaalsContact CA-O 3.27Å; A36-L95 WeakPolarHBondContact CA-O 3.45Å; A37-L95 HydrophobicContact CB-CB 4.49Å; A37-L95 PolarHBondContact N-O 2.92Å; A37-L95 PolarHBondContact O-N 2.94Å; L95-L107 HydrophobicContact CB-CD1 4.38Å; L95-Y108 WeakPolarHBondContact CA-O 3.39Å; L95-Y109 HydrophobicContact CD2-CD2 3.81Å; L95-Y109 HydrophobicContact CD2-CG 4.4Å; L95-A122 HydrophobicContact CD1-CB 4.47Å; L95-A122 HydrophobicContact CD2-CB 3.64Å |
| 96 | I | 98.4 | Very high | 96.1 | Very high | 0 Ų | 0 | 55 Ų | 55 | 0% | 0 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.1 | 108.5 | 177.7 | -55.5 | 172.1 | 0 | 0 | 0 | 107.4 | V34 A36 A73 T76 L94 Y108 L110 | V34-I96 HydrophobicContact CG1-CG2 3.79Å; A36-I96 HydrophobicContact CB-CG1 4.34Å; A73-I96 HydrophobicContact CB-CD1 4.15Å; T76-I96 HydrophobicContact CG2-CD1 4.06Å; L94-I96 HydrophobicContact CB-CG1 4.3Å; I96-Y108 PolarHBondContact N-O 3Å; I96-Y108 PolarHBondContact O-N 3.33Å; I96-L110 HydrophobicContact CD1-CD2 4.2Å |
| 97 | A | 98.3 | Very high | 96.3 | Very high | 0 Ų | 0 | 53 Ų | 53 | 0% | 0 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.2 | 136.2 | 174.1 | 0 | 0 | 0 | 0 | 0 | 109.4 | V5 L7 V34 L35 E106 L107 V175 | V5-A97 HydrophobicContact CB-CB 3.94Å; V5-A97 HydrophobicContact CG1-CB 3.45Å; V5-A97 VanDerWaalsContact CG1-CB 3.45Å; L7-A97 HydrophobicContact CD1-CB 3.45Å; L7-A97 VanDerWaalsContact CD1-CB 3.45Å; L7-A97 HydrophobicContact CD2-CB 4.08Å; L7-A97 HydrophobicContact CG-CB 3.61Å; V34-A97 WeakPolarHBondContact CA-O 3.18Å; L35-A97 PolarHBondContact N-O 3.43Å; L35-A97 PolarHBondContact O-N 3.02Å; L35-A97 VanDerWaalsContact O-O 3.08Å; A97-E106 WeakPolarHBondContact CA-O 3.27Å; A97-L107 HydrophobicContact CB-CD1 4.29Å; A97-V175 HydrophobicContact CB-CG2 4.05Å |
| 98 | G | 97.9 | Very high | 96.5 | Very high | 0 Ų | 0 | 42 Ų | 42 | 0% | 0 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -151.9 | 169.3 | 172.5 | 0 | 0 | 0 | 0 | 0 | 113.5 | R33 E106 | R33-G98 CarbonylContact O-C 3.57Å; R33-G98 WeakPolarHBondContact O-CA 3.29Å; G98-E106 PolarHBondContact N-O 3.34Å; G98-E106 PolarHBondContact O-N 2.9Å |
| 99 | F | 97.7 | Very high | 96.9 | Very high | 17 Ų | 17 | 41.3 Ų | 41.3 | 8% | 0.075 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.9 | 116.2 | 173 | -165.7 | -74.5 | 0 | 0 | 0 | 109.8 | D3 R33 P105 V175 T176 K177 | D3-F99 HydrophobicContact CB-CE2 3.7Å; D3-F99 HydrophobicContact CB-CZ 4.11Å; D3-F99 WeakPolarHBondContact O-CE2 3.24Å; R33-F99 PolarHBondContact O-N 3.45Å; F99-P105 HydrophobicContact CD2-CB 4.15Å; F99-P105 HydrophobicContact CE2-CB 4.42Å; F99-V175 HydrophobicContact CB-CG1 4.11Å; F99-T176 WeakPolarHBondContact CB-O 3.11Å; F99-T176 VanDerWaalsContact CG-C 3.49Å; F99-K177 VanDerWaalsContact CD1-CA 3.46Å; F99-K177 HydrophobicContact CD1-CB 3.88Å; F99-K177 HydrophobicContact CE1-CB 3.46Å; F99-K177 VanDerWaalsContact CE1-CB 3.46Å; F99-K177 HydrophobicContact CE2-CB 4.34Å; F99-K177 HydrophobicContact CG-CB 4.5Å; F99-K177 HydrophobicContact CZ-CB 3.72Å |
| 100 | D | 96.1 | Very high | 97 | Very high | 17 Ų | 17 | 39.5 Ų | 39.5 | 9% | 0.091 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.2 | 141.3 | 171.2 | -173.6 | 58.8 | 0 | 0 | 0 | 110.8 | P69 Q102 T103 G104 | P69-D100 HydrophobicContact CG-CB 4.26Å; D100-Q102 PolarHBondContact O-N 3.37Å; D100-Q102 WeakPolarHBondContact OD2-CA 3.2Å; D100-Q102 VanDerWaalsContact OD2-CB 3.29Å; D100-Q102 WeakPolarHBondContact OD2-CB 3.33Å; D100-Q102 PolarHBondContact OD2-N 2.78Å; D100-T103 VanDerWaalsContact CB-OG1 3.28Å; D100-T103 WeakPolarHBondContact CB-OG1 3.49Å; D100-T103 PolarHBondContact OD2-N 2.94Å; D100-T103 PolarHBondContact OD2-OG1 2.98Å; D100-G104 PolarHBondContact N-O 2.85Å; D100-G104 VanDerWaalsContact O-CA 3.22Å; D100-G104 WeakPolarHBondContact O-CA 3.36Å; D100-G104 PolarHBondContact O-N 3.34Å |
| 101 | L | 93.4 | Very high | 97.1 | Very high | 118 Ų | 118 | 37.5 Ų | 37.5 | 62% | 0.618 | 19% | 0.19 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -68.9 | -22.9 | 179.5 | -71 | 176 | 0 | 0 | 0 | 113.6 | R33 | R33-L101 VanDerWaalsContact NH1-CD1 3.31Š|
| 102 | Q | 93.2 | Very high | 97.1 | Very high | 185 Ų | 185 | 37.3 Ų | 37.3 | 86% | 0.864 | 19% | 0.187 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -98.3 | -44.5 | -176.8 | -54.3 | -177.7 | -6.7 | 0 | 0 | 111.1 | D100 | D100-Q102 PolarHBondContact O-N 3.37Å; D100-Q102 WeakPolarHBondContact OD2-CA 3.2Å; D100-Q102 VanDerWaalsContact OD2-CB 3.29Å; D100-Q102 WeakPolarHBondContact OD2-CB 3.33Å; D100-Q102 PolarHBondContact OD2-N 2.78Å |
| 103 | T | 93.9 | Very high | 97.1 | Very high | 86 Ų | 86 | 41.4 Ų | 41.4 | 53% | 0.528 | 21% | 0.209 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -96.3 | -15.2 | -176.7 | 67.5 | 0 | 0 | 0 | 0 | 114.4 | D100 E106 | D100-T103 VanDerWaalsContact CB-OG1 3.28Å; D100-T103 WeakPolarHBondContact CB-OG1 3.49Å; D100-T103 PolarHBondContact OD2-N 2.94Å; D100-T103 PolarHBondContact OD2-OG1 2.98Å; T103-E106 VanDerWaalsContact OG1-CD 3.32Å; T103-E106 PolarHBondContact OG1-OE1 3.33Å |
| 104 | G | 95.7 | Very high | 97 | Very high | 13 Ų | 13 | 40.1 Ų | 40.1 | 13% | 0.134 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 86.7 | -152.1 | -179.5 | 0 | 0 | 0 | 0 | 0 | 113.6 | D100 | D100-G104 PolarHBondContact N-O 2.85Å; D100-G104 VanDerWaalsContact O-CA 3.22Å; D100-G104 WeakPolarHBondContact O-CA 3.36Å; D100-G104 PolarHBondContact O-N 3.34Å |
| 105 | P | 97.1 | Very high | 97 | Very high | 43 Ų | 43 | 43.1 Ų | 43.1 | 28% | 0.279 | 22% | 0.224 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -69.8 | 136 | -178.4 | 29 | -34.4 | 0 | 0 | 0 | 111.9 | V5 F99 | V5-P105 HydrophobicContact CG2-CB 3.49Å; V5-P105 VanDerWaalsContact CG2-CB 3.49Å; F99-P105 HydrophobicContact CD2-CB 4.15Å; F99-P105 HydrophobicContact CE2-CB 4.42Å |
| 106 | E | 97.6 | Very high | 97 | Very high | 11 Ų | 11 | 44.2 Ų | 44.2 | 5% | 0.051 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.5 | 134.3 | 178.9 | -50.5 | -164.5 | 137.5 | 0 | 0 | 111.2 | P69 S70 A97 G98 T103 Y108 K118 | P69-E106 HydrophobicContact CB-CB 4.2Å; S70-E106 PolarHBondContact N-OE2 3.2Å; A97-E106 WeakPolarHBondContact CA-O 3.27Å; G98-E106 PolarHBondContact N-O 3.34Å; G98-E106 PolarHBondContact O-N 2.9Å; T103-E106 VanDerWaalsContact OG1-CD 3.32Å; T103-E106 PolarHBondContact OG1-OE1 3.33Å; E106-Y108 HydrophobicContact CB-CD2 4.4Å; E106-Y108 HydrophobicContact CB-CE2 3.76Å; E106-Y108 PolarHBondContact OE2-OH 2.94Å; E106-K118 VanDerWaalsContact CD-NZ 3.32Å; E106-K118 IonicContact OE1-NZ 2.76Å; E106-K118 PolarHBondContact OE1-NZ 3.26Å |
| 107 | L | 98.3 | Very high | 97 | Very high | 18 Ų | 18 | 48.9 Ų | 48.9 | 9% | 0.094 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.3 | 128.8 | 173.9 | 177.4 | 66.6 | 0 | 0 | 0 | 109.8 | V5 L7 L95 A97 K118 V119 A122 | V5-L107 HydrophobicContact CG1-CB 4.08Å; V5-L107 HydrophobicContact CG1-CD1 4.08Å; L7-L107 HydrophobicContact CD2-CD1 4.09Å; L95-L107 HydrophobicContact CB-CD1 4.38Å; A97-L107 HydrophobicContact CB-CD1 4.29Å; L107-K118 WeakPolarHBondContact O-CA 3.42Å; L107-V119 HydrophobicContact CD2-CG2 4.23Å; L107-V119 HydrophobicContact CG-CG2 4.21Å; L107-V119 PolarHBondContact O-N 2.84Å; L107-A122 HydrophobicContact CD2-CB 4.35Å |
| 108 | Y | 98.7 | Very high | 97 | Very high | 17 Ų | 17 | 54.1 Ų | 54.1 | 7% | 0.067 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.6 | 131.8 | 178.2 | -68.3 | -90.7 | 0 | 0 | 0 | 110.8 | P69 S70 A73 L95 I96 E106 L116 I117 K118 | P69-Y108 HydrophobicContact CB-CE2 4.39Å; S70-Y108 WeakPolarHBondContact CA-OH 3.49Å; S70-Y108 VanDerWaalsContact CB-OH 3.22Å; S70-Y108 WeakPolarHBondContact CB-OH 3.38Å; S70-Y108 PolarHBondContact OG-OH 3.31Å; A73-Y108 HydrophobicContact CB-CD1 3.99Å; A73-Y108 HydrophobicContact CB-CD2 3.86Å; A73-Y108 HydrophobicContact CB-CE1 4.34Å; A73-Y108 HydrophobicContact CB-CE2 4.24Å; A73-Y108 HydrophobicContact CB-CG 3.73Å; L95-Y108 WeakPolarHBondContact CA-O 3.39Å; I96-Y108 PolarHBondContact N-O 3Å; I96-Y108 PolarHBondContact O-N 3.33Å; E106-Y108 HydrophobicContact CB-CD2 4.4Å; E106-Y108 HydrophobicContact CB-CE2 3.76Å; E106-Y108 PolarHBondContact OE2-OH 2.94Å; Y108-L116 HydrophobicContact CD1-CD1 4.01Å; Y108-L116 HydrophobicContact CD1-CD2 4.24Å; Y108-L116 HydrophobicContact CD1-CG 4.05Å; Y108-L116 HydrophobicContact CG-CD1 4.31Å; Y108-I117 WeakPolarHBondContact CA-O 3.3Å; Y108-K118 HydrophobicContact CD1-CB 4.03Å; Y108-K118 HydrophobicContact CE1-CB 3.78Å; Y108-K118 HydrophobicContact CE1-CD 4.4Å; Y108-K118 HydrophobicContact CE1-CG 4.19Å |
| 109 | Y | 98.5 | Very high | 97 | Very high | 71 Ų | 71 | 55.7 Ų | 55.7 | 28% | 0.278 | 29% | 0.286 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.6 | 129.5 | 169.3 | 178.2 | -79.9 | 0 | 0 | 0 | 108.9 | L95 D111 L116 I117 A122 H124 | L95-Y109 HydrophobicContact CD2-CD2 3.81Å; L95-Y109 HydrophobicContact CD2-CG 4.4Å; Y109-D111 HydrophobicContact CE1-CB 4.07Å; Y109-L116 WeakPolarHBondContact O-CA 3.12Å; Y109-I117 HydrophobicContact CD1-CG2 4.07Å; Y109-I117 HydrophobicContact CG-CG2 4.32Å; Y109-I117 PolarHBondContact N-O 2.92Å; Y109-I117 PolarHBondContact O-N 3.5Å; Y109-A122 HydrophobicContact CD2-CB 3.74Å; Y109-A122 HydrophobicContact CG-CB 4.44Å; Y109-H124 AromaticContact CD2-CE1 3.7Å; Y109-H124 AromaticContact CD2-NE2 3.64Å; Y109-H124 AromaticContact CE1-CE1 3.59Å; Y109-H124 AromaticContact CE2-CD2 3.98Å; Y109-H124 AromaticContact CE2-CE1 3.08Å; Y109-H124 WeakPolarHBondContact CE2-CE1 3.35Å; Y109-H124 AromaticContact CE2-CG 3.9Å; Y109-H124 AromaticContact CE2-ND1 3.34Å; Y109-H124 VanDerWaalsContact CE2-ND1 3.34Å; Y109-H124 WeakPolarHBondContact CE2-ND1 3.38Å; Y109-H124 AromaticContact CE2-NE2 3.48Å; Y109-H124 WeakPolarHBondContact CE2-NE2 3.4Å; Y109-H124 AromaticContact CZ-CE1 3Å; Y109-H124 AromaticContact CZ-ND1 3.43Å; Y109-H124 AromaticContact CZ-NE2 3.79Å; Y109-H124 PolarHBondContact OH-CE1 2.99Å; Y109-H124 PolarHBondContact OH-ND1 3.26Å |
| 110 | L | 98.4 | Very high | 96.9 | Very high | 0 Ų | 0 | 59.3 Ų | 59.3 | 0% | 0 | 31% | 0.311 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.2 | 110.8 | -178.3 | -179.1 | 56.9 | 0 | 0 | 0 | 110.1 | T76 R77 M80 L94 I96 S115 L116 H124 | T76-L110 HydrophobicContact CG2-CD2 3.83Å; R77-L110 HydrophobicContact CB-CD1 4.17Å; R77-L110 HydrophobicContact CB-CD2 4.47Å; R77-L110 HydrophobicContact CG-CD1 3.99Å; M80-L110 HydrophobicContact CE-CD1 4.05Å; M80-L110 HydrophobicContact CE-CD2 3.39Å; M80-L110 HydrophobicContact CE-CG 3.46Å; M80-L110 VanDerWaalsContact CE-CG 3.46Å; L94-L110 HydrophobicContact CB-CB 4.33Å; L94-L110 HydrophobicContact CD1-CD2 4.29Å; L94-L110 PolarHBondContact N-O 3.2Å; L94-L110 PolarHBondContact O-N 3.49Å; I96-L110 HydrophobicContact CD1-CD2 4.2Å; L110-S115 WeakPolarHBondContact CA-O 3.44Å; L110-L116 HydrophobicContact CB-CD1 3.93Å; L110-L116 HydrophobicContact CD1-CB 4.08Å; L110-L116 HydrophobicContact CD1-CD1 4.08Å; L110-L116 HydrophobicContact CD2-CD1 4.39Å; L110-L116 HydrophobicContact CG-CD1 4.35Å; L110-H124 PolarHBondContact O-NE2 2.97Å |
| 111 | D | 97.6 | Very high | 97 | Very high | 30 Ų | 30 | 60.6 Ų | 60.6 | 16% | 0.16 | 32% | 0.316 | C | S | . | . | trans | -84.1 | 168.8 | 177.6 | 73 | 6 | 0 | 0 | 0 | 113 | N93 Y109 L113 A114 S115 | N93-D111 WeakPolarHBondContact OD1-CA 3.34Å; Y109-D111 HydrophobicContact CE1-CB 4.07Å; D111-L113 PolarHBondContact O-N 3Å; D111-L113 WeakPolarHBondContact OD1-CA 3.32Å; D111-L113 PolarHBondContact OD1-N 3.47Å; D111-L113 VanDerWaalsContact OD1-N 3.08Å; D111-A114 WeakPolarHBondContact O-CA 3.5Å; D111-A114 PolarHBondContact O-N 2.74Å; D111-A114 PolarHBondContact OD1-N 2.88Å; D111-S115 PolarHBondContact N-O 3.48Å; D111-S115 WeakPolarHBondContact OD1-CA 3.2Å; D111-S115 WeakPolarHBondContact OD1-CB 3.48Å; D111-S115 PolarHBondContact OD1-N 3.39Å; D111-S115 PolarHBondContact OD1-OG 3.18Å; D111-S115 PolarHBondContact OD2-OG 3.07Å | ||
| 112 | Y | 96.2 | Very high | 97.2 | Very high | 103 Ų | 103 | 55.9 Ų | 55.9 | 40% | 0.404 | 29% | 0.294 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -62.7 | -9.1 | 178.1 | 71.8 | -86.6 | 0 | 0 | 0 | 114.9 | F91 V92 N93 A114 | F91-Y112 HydrophobicContact CD1-CD2 4.27Å; V92-Y112 WeakPolarHBondContact O-CA 3.48Å; V92-Y112 WeakPolarHBondContact O-CB 3.38Å; V92-Y112 PolarHBondContact O-N 3.46Å; N93-Y112 PolarHBondContact OD1-N 2.98Å; Y112-A114 VanDerWaalsContact C-N 3.32Å |
| 113 | L | 96.8 | Very high | 97.4 | Very high | 86 Ų | 86 | 48.8 Ų | 48.8 | 45% | 0.45 | 26% | 0.263 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -94.4 | 8.5 | 172.7 | -62.9 | 178.6 | 0 | 0 | 0 | 112.2 | L84 D111 S115 | L84-L113 HydrophobicContact CD1-CD2 4.17Å; L84-L113 HydrophobicContact CD2-CD2 4.4Å; D111-L113 PolarHBondContact O-N 3Å; D111-L113 WeakPolarHBondContact OD1-CA 3.32Å; D111-L113 PolarHBondContact OD1-N 3.47Å; D111-L113 VanDerWaalsContact OD1-N 3.08Å; L113-S115 VanDerWaalsContact C-N 3.3Å; L113-S115 PolarHBondContact O-N 3.05Å |
| 114 | A | 96.9 | Very high | 97.6 | Very high | 8 Ų | 8 | 46.2 Ų | 46.2 | 7% | 0.066 | 25% | 0.245 | C | C | . | . | trans | 62.5 | 31.3 | -176.4 | 0 | 0 | 0 | 0 | 0 | 114.1 | R77 M80 A81 D111 Y112 | R77-A114 HydrophobicContact CG-CB 4.26Å; R77-A114 WeakPolarHBondContact CG-O 3.32Å; M80-A114 HydrophobicContact CB-CB 3.99Å; M80-A114 HydrophobicContact CG-CB 4.21Å; M80-A114 HydrophobicContact SD-CB 4.1Å; A81-A114 HydrophobicContact CB-CB 3.71Å; D111-A114 WeakPolarHBondContact O-CA 3.5Å; D111-A114 PolarHBondContact O-N 2.74Å; D111-A114 PolarHBondContact OD1-N 2.88Å; Y112-A114 VanDerWaalsContact C-N 3.32Å | ||
| 115 | S | 97.8 | Very high | 97.6 | Very high | 63 Ų | 63 | 48.1 Ų | 48.1 | 44% | 0.441 | 27% | 0.265 | S | S | . | . | trans | -84.2 | 115.7 | 171.3 | -48.9 | 0 | 0 | 0 | 0 | 109.7 | L110 D111 L113 | L110-S115 WeakPolarHBondContact CA-O 3.44Å; D111-S115 PolarHBondContact N-O 3.48Å; D111-S115 WeakPolarHBondContact OD1-CA 3.2Å; D111-S115 WeakPolarHBondContact OD1-CB 3.48Å; D111-S115 PolarHBondContact OD1-N 3.39Å; D111-S115 PolarHBondContact OD1-OG 3.18Å; D111-S115 PolarHBondContact OD2-OG 3.07Å; L113-S115 VanDerWaalsContact C-N 3.3Å; L113-S115 PolarHBondContact O-N 3.05Å | ||
| 116 | L | 98.4 | Very high | 97.6 | Very high | 42 Ų | 42 | 54.6 Ų | 54.6 | 22% | 0.22 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.8 | 130.1 | -177.7 | -174.2 | 71.4 | 0 | 0 | 0 | 111.1 | A73 R77 Y108 Y109 L110 | A73-L116 HydrophobicContact CB-CD1 4.11Å; A73-L116 HydrophobicContact CB-CD2 3.98Å; R77-L116 HydrophobicContact CB-CB 4.41Å; R77-L116 HydrophobicContact CB-CD2 4.32Å; R77-L116 VanDerWaalsContact CD-CB 3.41Å; R77-L116 HydrophobicContact CG-CB 3.98Å; Y108-L116 HydrophobicContact CD1-CD1 4.01Å; Y108-L116 HydrophobicContact CD1-CD2 4.24Å; Y108-L116 HydrophobicContact CD1-CG 4.05Å; Y108-L116 HydrophobicContact CG-CD1 4.31Å; Y109-L116 WeakPolarHBondContact O-CA 3.12Å; L110-L116 HydrophobicContact CB-CD1 3.93Å; L110-L116 HydrophobicContact CD1-CB 4.08Å; L110-L116 HydrophobicContact CD1-CD1 4.08Å; L110-L116 HydrophobicContact CD2-CD1 4.39Å; L110-L116 HydrophobicContact CG-CD1 4.35Å |
| 117 | I | 98.2 | Very high | 97.4 | Very high | 99 Ų | 99 | 54.7 Ų | 54.7 | 51% | 0.508 | 29% | 0.289 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.2 | 137.2 | 174.2 | -173 | 169.4 | 0 | 0 | 0 | 111 | Y108 Y109 V119 | Y108-I117 WeakPolarHBondContact CA-O 3.3Å; Y109-I117 HydrophobicContact CD1-CG2 4.07Å; Y109-I117 HydrophobicContact CG-CG2 4.32Å; Y109-I117 PolarHBondContact N-O 2.92Å; Y109-I117 PolarHBondContact O-N 3.5Å; I117-V119 HydrophobicContact CD1-CG1 4.39Å; I117-V119 HydrophobicContact CG1-CG1 4.04Å; I117-V119 HydrophobicContact CG2-CG1 3.92Å |
| 118 | K | 98.2 | Very high | 97.3 | Very high | 110 Ų | 110 | 54.5 Ų | 54.5 | 48% | 0.478 | 29% | 0.29 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.1 | 128.8 | 171.6 | -172.8 | 175.2 | 179.7 | 174.1 | 0 | 108.9 | E106 L107 Y108 | E106-K118 VanDerWaalsContact CD-NZ 3.32Å; E106-K118 IonicContact OE1-NZ 2.76Å; E106-K118 PolarHBondContact OE1-NZ 3.26Å; L107-K118 WeakPolarHBondContact O-CA 3.42Å; Y108-K118 HydrophobicContact CD1-CB 4.03Å; Y108-K118 HydrophobicContact CE1-CB 3.78Å; Y108-K118 HydrophobicContact CE1-CD 4.4Å; Y108-K118 HydrophobicContact CE1-CG 4.19Å |
| 119 | V | 97.8 | Very high | 97.2 | Very high | 33 Ų | 33 | 60.5 Ų | 60.5 | 20% | 0.2 | 32% | 0.322 | C | S | . | . | trans | -139.9 | 153.7 | -171.3 | -67.4 | 0 | 0 | 0 | 0 | 111.7 | L107 I117 F121 A122 | L107-V119 HydrophobicContact CD2-CG2 4.23Å; L107-V119 HydrophobicContact CG-CG2 4.21Å; L107-V119 PolarHBondContact O-N 2.84Å; I117-V119 HydrophobicContact CD1-CG1 4.39Å; I117-V119 HydrophobicContact CG1-CG1 4.04Å; I117-V119 HydrophobicContact CG2-CG1 3.92Å; V119-F121 WeakPolarHBondContact CG2-O 3.08Å; V119-A122 HydrophobicContact CG2-CB 3.63Å | ||
| 120 | P | 96.7 | Very high | 97 | Very high | 93 Ų | 93 | 58.5 Ų | 58.5 | 60% | 0.604 | 32% | 0.318 | S | S | * | . | S | Bend | trans | -72.3 | -32.5 | 175 | 28.1 | -34 | 0 | 0 | 0 | 112.7 | ||
| 121 | F | 97.6 | Very high | 96.9 | Very high | 44 Ų | 44 | 58.7 Ų | 58.7 | 19% | 0.193 | 32% | 0.319 | C | S | . | . | S | Bend | trans | -150.9 | 154.9 | 175.5 | 50.4 | -97.5 | 0 | 0 | 0 | 109.1 | V119 L132 L135 D136 H139 | V119-F121 WeakPolarHBondContact CG2-O 3.08Å; F121-L132 HydrophobicContact CD2-CD2 4.44Å; F121-L135 HydrophobicContact CB-CD1 4.28Å; F121-L135 HydrophobicContact CD2-CB 3.71Å; F121-L135 HydrophobicContact CD2-CD1 3.99Å; F121-L135 HydrophobicContact CD2-CG 4.43Å; F121-L135 HydrophobicContact CE2-CB 3.89Å; F121-L135 HydrophobicContact CG-CB 4.08Å; F121-L135 HydrophobicContact CG-CD1 4.37Å; F121-L135 HydrophobicContact CZ-CB 4.39Å; F121-D136 WeakPolarHBondContact CE2-OD1 3.34Å; F121-D136 WeakPolarHBondContact CZ-OD1 3.42Å; F121-H139 HydrophobicContact CD1-CB 3.95Å; F121-H139 AromaticContact CD1-CD2 3.79Å; F121-H139 AromaticContact CD1-CG 3.54Å; F121-H139 AromaticContact CD1-ND1 3.72Å; F121-H139 HydrophobicContact CE1-CB 3.96Å; F121-H139 AromaticContact CE1-CG 3.86Å; F121-H139 AromaticContact CE1-ND1 3.85Å |
| 122 | A | 98 | Very high | 96.9 | Very high | 19 Ų | 19 | 60.2 Ų | 60.2 | 16% | 0.157 | 33% | 0.327 | C | S | . | . | trans | -156.9 | 153.6 | 179.1 | 0 | 0 | 0 | 0 | 0 | 111 | L95 L107 Y109 V119 | L95-A122 HydrophobicContact CD1-CB 4.47Å; L95-A122 HydrophobicContact CD2-CB 3.64Å; L107-A122 HydrophobicContact CD2-CB 4.35Å; Y109-A122 HydrophobicContact CD2-CB 3.74Å; Y109-A122 HydrophobicContact CG-CB 4.44Å; V119-A122 HydrophobicContact CG2-CB 3.63Å | ||
| 123 | V | 97.9 | Very high | 97 | Very high | 36 Ų | 36 | 58.9 Ų | 58.9 | 22% | 0.218 | 33% | 0.333 | C | S | . | . | trans | -142.4 | 132.5 | 176.9 | -173.6 | 0 | 0 | 0 | 0 | 108.2 | A128 A131 L132 L135 | V123-A128 HydrophobicContact CB-CB 3.84Å; V123-A128 HydrophobicContact CG1-CB 3.8Å; V123-A131 HydrophobicContact CG2-CB 4.23Å; V123-L132 HydrophobicContact CB-CD2 4.24Å; V123-L132 HydrophobicContact CB-CG 4.44Å; V123-L132 HydrophobicContact CG2-CD2 4.08Å; V123-L135 HydrophobicContact CG2-CD1 3.62Å | ||
| 124 | H | 97.8 | Very high | 97 | Very high | 31 Ų | 31 | 56.1 Ų | 56.1 | 14% | 0.144 | 32% | 0.318 | C | S | . | . | trans | -102.9 | 163.7 | 168.4 | -81.9 | -65 | 0 | 0 | 0 | 111.4 | L94 Y109 L110 | L94-H124 PolarHBondContact O-NE2 3.25Å; Y109-H124 AromaticContact CD2-CE1 3.7Å; Y109-H124 AromaticContact CD2-NE2 3.64Å; Y109-H124 AromaticContact CE1-CE1 3.59Å; Y109-H124 AromaticContact CE2-CD2 3.98Å; Y109-H124 AromaticContact CE2-CE1 3.08Å; Y109-H124 WeakPolarHBondContact CE2-CE1 3.35Å; Y109-H124 AromaticContact CE2-CG 3.9Å; Y109-H124 AromaticContact CE2-ND1 3.34Å; Y109-H124 VanDerWaalsContact CE2-ND1 3.34Å; Y109-H124 WeakPolarHBondContact CE2-ND1 3.38Å; Y109-H124 AromaticContact CE2-NE2 3.48Å; Y109-H124 WeakPolarHBondContact CE2-NE2 3.4Å; Y109-H124 AromaticContact CZ-CE1 3Å; Y109-H124 AromaticContact CZ-ND1 3.43Å; Y109-H124 AromaticContact CZ-NE2 3.79Å; Y109-H124 PolarHBondContact OH-CE1 2.99Å; Y109-H124 PolarHBondContact OH-ND1 3.26Å; L110-H124 PolarHBondContact O-NE2 2.97Å | ||
| 125 | G | 95.7 | Very high | 97.1 | Very high | 54 Ų | 54 | 56.7 Ų | 56.7 | 56% | 0.557 | 32% | 0.32 | S | S | * | . | S | Bend | trans | 77.7 | 178.4 | -179.5 | 0 | 0 | 0 | 0 | 0 | 113.5 | G127 A128 | G125-G127 PolarHBondContact O-N 2.93Å; G125-A128 WeakPolarHBondContact O-CB 3.49Å; G125-A128 PolarHBondContact O-N 3.14Å; G125-A128 VanDerWaalsContact O-N 3.07Å |
| 126 | Y | 95.8 | Very high | 97.1 | Very high | 179 Ų | 179 | 59.2 Ų | 59.2 | 70% | 0.702 | 33% | 0.328 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.9 | -22.5 | -174.8 | -65.3 | -62.1 | 0 | 0 | 0 | 114.1 | A128 L129 | Y126-A128 PolarHBondContact O-N 2.82Å; Y126-L129 HydrophobicContact CD1-CD1 4.42Å; Y126-L129 WeakPolarHBondContact O-CB 3.4Å; Y126-L129 PolarHBondContact O-N 2.85Å; Y126-L129 VanDerWaalsContact O-N 3.16Å |
| 127 | G | 94.5 | Very high | 97 | Very high | 13 Ų | 13 | 67.8 Ų | 67.8 | 13% | 0.134 | 36% | 0.358 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -59.9 | -23.6 | 173.3 | 0 | 0 | 0 | 0 | 0 | 113.3 | G125 L129 V130 A131 | G125-G127 PolarHBondContact O-N 2.93Å; G127-L129 PolarHBondContact O-N 3.34Å; G127-V130 WeakPolarHBondContact O-CG2 3.49Å; G127-V130 PolarHBondContact O-N 2.86Å; G127-A131 VanDerWaalsContact O-CB 3.3Å; G127-A131 WeakPolarHBondContact O-CB 2.93Å; G127-A131 PolarHBondContact O-N 3Å |
| 128 | A | 96.3 | Very high | 97 | Very high | 13 Ų | 13 | 67 Ų | 67 | 11% | 0.107 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -58.5 | -33.3 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.8 | V123 G125 Y126 V130 A131 L132 | V123-A128 HydrophobicContact CB-CB 3.84Å; V123-A128 HydrophobicContact CG1-CB 3.8Å; G125-A128 WeakPolarHBondContact O-CB 3.49Å; G125-A128 PolarHBondContact O-N 3.14Å; G125-A128 VanDerWaalsContact O-N 3.07Å; Y126-A128 PolarHBondContact O-N 2.82Å; A128-V130 PolarHBondContact O-N 3.2Å; A128-V130 VanDerWaalsContact O-N 3.14Å; A128-A131 PolarHBondContact O-N 2.79Å; A128-L132 HydrophobicContact CB-CD1 3.93Å; A128-L132 HydrophobicContact CB-CG 4.21Å; A128-L132 WeakPolarHBondContact O-CB 2.9Å; A128-L132 VanDerWaalsContact O-CG 3.3Å; A128-L132 WeakPolarHBondContact O-CG 3.3Å; A128-L132 PolarHBondContact O-N 3.12Å; A128-L132 VanDerWaalsContact O-N 3.08Å |
| 129 | L | 96 | Very high | 96.9 | Very high | 143 Ų | 143 | 64.6 Ų | 64.6 | 75% | 0.749 | 34% | 0.344 | S | S | * | . | H | α-helix | trans | -60.3 | -26.2 | -178.3 | -65.3 | 174.6 | 0 | 0 | 0 | 113.4 | Y126 G127 | Y126-L129 HydrophobicContact CD1-CD1 4.42Å; Y126-L129 WeakPolarHBondContact O-CB 3.4Å; Y126-L129 PolarHBondContact O-N 2.85Å; Y126-L129 VanDerWaalsContact O-N 3.16Å; G127-L129 PolarHBondContact O-N 3.34Å |
| 130 | V | 94.8 | Very high | 96.8 | Very high | 30 Ų | 30 | 68.2 Ų | 68.2 | 18% | 0.182 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -107.9 | -39.7 | 178.9 | -60.9 | 0 | 0 | 0 | 0 | 111.4 | G127 A128 S133 E158 V159 R162 | G127-V130 WeakPolarHBondContact O-CG2 3.49Å; G127-V130 PolarHBondContact O-N 2.86Å; A128-V130 PolarHBondContact O-N 3.2Å; A128-V130 VanDerWaalsContact O-N 3.14Å; V130-S133 PolarHBondContact O-OG 3.38Å; V130-E158 HydrophobicContact CB-CG 4.06Å; V130-E158 HydrophobicContact CG2-CG 4.39Å; V130-V159 HydrophobicContact CG2-CB 4.35Å; V130-V159 HydrophobicContact CG2-CG2 3.56Å; V130-R162 HydrophobicContact CG1-CB 4.23Å |
| 131 | A | 96.7 | Very high | 96.6 | Very high | 4 Ų | 4 | 69.5 Ų | 69.5 | 3% | 0.033 | 36% | 0.362 | C | S | . | . | H | α-helix | trans | -71.5 | -37.8 | -174 | 0 | 0 | 0 | 0 | 0 | 113.4 | V123 G127 A128 S133 I134 L135 C155 | V123-A131 HydrophobicContact CG2-CB 4.23Å; G127-A131 VanDerWaalsContact O-CB 3.3Å; G127-A131 WeakPolarHBondContact O-CB 2.93Å; G127-A131 PolarHBondContact O-N 3Å; A128-A131 PolarHBondContact O-N 2.79Å; A131-S133 VanDerWaalsContact C-N 3.3Å; A131-S133 PolarHBondContact O-N 3.13Å; A131-I134 WeakPolarHBondContact O-CB 3.4Å; A131-I134 PolarHBondContact O-N 2.92Å; A131-I134 VanDerWaalsContact O-N 3.09Å; A131-L135 WeakPolarHBondContact O-CG 3.48Å; A131-L135 PolarHBondContact O-N 3.4Å; A131-C155 HydrophobicContact CB-CB 3.99Å |
| 132 | L | 97.8 | Very high | 96.4 | Very high | 61 Ų | 61 | 72 Ų | 72 | 32% | 0.319 | 38% | 0.377 | S | S | . | . | H | α-helix | trans | -59.9 | -40.5 | -176.9 | -72.9 | 172.3 | 0 | 0 | 0 | 112.1 | F121 V123 A128 I134 L135 D136 | F121-L132 HydrophobicContact CD2-CD2 4.44Å; V123-L132 HydrophobicContact CB-CD2 4.24Å; V123-L132 HydrophobicContact CB-CG 4.44Å; V123-L132 HydrophobicContact CG2-CD2 4.08Å; A128-L132 HydrophobicContact CB-CD1 3.93Å; A128-L132 HydrophobicContact CB-CG 4.21Å; A128-L132 WeakPolarHBondContact O-CB 2.9Å; A128-L132 VanDerWaalsContact O-CG 3.3Å; A128-L132 WeakPolarHBondContact O-CG 3.3Å; A128-L132 PolarHBondContact O-N 3.12Å; A128-L132 VanDerWaalsContact O-N 3.08Å; L132-I134 VanDerWaalsContact C-N 3.27Å; L132-I134 PolarHBondContact O-N 3.14Å; L132-L135 HydrophobicContact CD2-CD1 4.45Å; L132-L135 PolarHBondContact O-N 3.32Å; L132-D136 PolarHBondContact O-N 3.44Å |
| 133 | S | 97.3 | Very high | 96.3 | Very high | 75 Ų | 75 | 71.7 Ų | 71.7 | 52% | 0.524 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -64.4 | -30.2 | 178.3 | 70.9 | 0 | 0 | 0 | 0 | 113.7 | V130 A131 R137 | V130-S133 PolarHBondContact O-OG 3.38Å; A131-S133 VanDerWaalsContact C-N 3.3Å; A131-S133 PolarHBondContact O-N 3.13Å; S133-R137 WeakPolarHBondContact O-CB 3.32Å; S133-R137 PolarHBondContact O-N 3.43Å |
| 134 | I | 97.7 | Very high | 96.2 | Very high | 28 Ų | 28 | 72.5 Ų | 72.5 | 14% | 0.144 | 38% | 0.378 | C | S | . | . | H | α-helix | trans | -74.9 | -43.7 | 175.9 | -62.5 | 171.6 | 0 | 0 | 0 | 109.6 | A131 L132 R137 M138 L151 E158 | A131-I134 WeakPolarHBondContact O-CB 3.4Å; A131-I134 PolarHBondContact O-N 2.92Å; A131-I134 VanDerWaalsContact O-N 3.09Å; L132-I134 VanDerWaalsContact C-N 3.27Å; L132-I134 PolarHBondContact O-N 3.14Å; I134-R137 PolarHBondContact O-N 2.89Å; I134-M138 HydrophobicContact CG2-SD 4.16Å; I134-M138 WeakPolarHBondContact O-CB 3.25Å; I134-M138 PolarHBondContact O-N 3.44Å; I134-L151 HydrophobicContact CG2-CD1 3.88Å; I134-E158 HydrophobicContact CD1-CB 3.53Å; I134-E158 HydrophobicContact CD1-CG 3.83Å |
| 135 | L | 97.8 | Very high | 96.1 | Very high | 21 Ų | 21 | 72.5 Ų | 72.5 | 11% | 0.11 | 38% | 0.38 | C | S | . | . | H | α-helix | trans | -60.4 | -49.3 | 175.9 | -67.5 | 169 | 0 | 0 | 0 | 110.9 | F121 V123 A131 L132 R137 M138 H139 L151 | F121-L135 HydrophobicContact CB-CD1 4.28Å; F121-L135 HydrophobicContact CD2-CB 3.71Å; F121-L135 HydrophobicContact CD2-CD1 3.99Å; F121-L135 HydrophobicContact CD2-CG 4.43Å; F121-L135 HydrophobicContact CE2-CB 3.89Å; F121-L135 HydrophobicContact CG-CB 4.08Å; F121-L135 HydrophobicContact CG-CD1 4.37Å; F121-L135 HydrophobicContact CZ-CB 4.39Å; V123-L135 HydrophobicContact CG2-CD1 3.62Å; A131-L135 WeakPolarHBondContact O-CG 3.48Å; A131-L135 PolarHBondContact O-N 3.4Å; L132-L135 HydrophobicContact CD2-CD1 4.45Å; L132-L135 PolarHBondContact O-N 3.32Å; L135-R137 PolarHBondContact O-N 2.89Å; L135-R137 VanDerWaalsContact O-N 3.16Å; L135-M138 PolarHBondContact O-N 3.27Å; L135-H139 WeakPolarHBondContact O-CB 3.31Å; L135-H139 PolarHBondContact O-N 3.01Å; L135-L151 HydrophobicContact CD2-CD2 3.99Å; L135-L151 HydrophobicContact CD2-CG 4.11Å |
| 136 | D | 97.5 | Very high | 96.1 | Very high | 115 Ų | 115 | 76.3 Ų | 76.3 | 62% | 0.615 | 39% | 0.388 | S | S | * | . | H | α-helix | trans | -53.7 | -37.9 | 176.7 | -75.5 | -27.7 | 0 | 0 | 0 | 112.3 | F121 L132 | F121-D136 WeakPolarHBondContact CE2-OD1 3.34Å; F121-D136 WeakPolarHBondContact CZ-OD1 3.42Å; L132-D136 PolarHBondContact O-N 3.44Å |
| 137 | R | 97.6 | Very high | 96.1 | Very high | 222 Ų | 222 | 71.3 Ų | 71.3 | 84% | 0.838 | 37% | 0.371 | S | S | * | . | H | α-helix | trans | -79.7 | -37.8 | -177.6 | 179.9 | 175.7 | 176.6 | 159.5 | 0 | 113.6 | S133 I134 L135 | S133-R137 WeakPolarHBondContact O-CB 3.32Å; S133-R137 PolarHBondContact O-N 3.43Å; I134-R137 PolarHBondContact O-N 2.89Å; L135-R137 PolarHBondContact O-N 2.89Å; L135-R137 VanDerWaalsContact O-N 3.16Å |
| 138 | M | 97.2 | Very high | 96.2 | Very high | 83 Ų | 83 | 71.4 Ų | 71.4 | 41% | 0.409 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -115.2 | -18.1 | -163.6 | -63 | -169.9 | 73.6 | 0 | 0 | 114.4 | I134 L135 L151 L154 | I134-M138 HydrophobicContact CG2-SD 4.16Å; I134-M138 WeakPolarHBondContact O-CB 3.25Å; I134-M138 PolarHBondContact O-N 3.44Å; L135-M138 PolarHBondContact O-N 3.27Å; M138-L151 HydrophobicContact CB-CD1 3.56Å; M138-L151 HydrophobicContact CB-CD2 4.33Å; M138-L151 HydrophobicContact CG-CD1 4.35Å; M138-L151 HydrophobicContact SD-CD1 4.14Å; M138-L154 HydrophobicContact CE-CD1 3.89Å; M138-L154 HydrophobicContact SD-CD1 4.03Å |
| 139 | H | 96.7 | Very high | 96.2 | Very high | 60 Ų | 60 | 72.3 Ų | 72.3 | 28% | 0.278 | 37% | 0.374 | S | S | . | . | trans | -65 | 136.3 | 179.1 | 175.9 | -87.6 | 0 | 0 | 0 | 111.2 | F121 L135 L151 | F121-H139 HydrophobicContact CD1-CB 3.95Å; F121-H139 AromaticContact CD1-CD2 3.79Å; F121-H139 AromaticContact CD1-CG 3.54Å; F121-H139 AromaticContact CD1-ND1 3.72Å; F121-H139 HydrophobicContact CE1-CB 3.96Å; F121-H139 AromaticContact CE1-CG 3.86Å; F121-H139 AromaticContact CE1-ND1 3.85Å; L135-H139 WeakPolarHBondContact O-CB 3.31Å; L135-H139 PolarHBondContact O-N 3.01Å; H139-L151 HydrophobicContact CB-CD2 4.22Å | ||
| 140 | R | 95.1 | Very high | 96.2 | Very high | 109 Ų | 109 | 68 Ų | 68 | 41% | 0.411 | 36% | 0.36 | S | S | . | . | trans | -134.4 | 141.3 | 170.2 | -52.5 | -176.5 | -58.4 | -81.1 | 3 | 110 | D142 M143 E147 | R140-D142 WeakPolarHBondContact CB-OD1 3.09Å; R140-D142 IonicContact NE-OD1 2.89Å; R140-D142 PolarHBondContact O-N 3.47Å; R140-D142 VanDerWaalsContact O-N 3.14Å; R140-M143 HydrophobicContact CB-CG 4.03Å; R140-M143 PolarHBondContact N-SD 2.89Å; R140-M143 WeakPolarHBondContact O-CG 3.46Å; R140-M143 PolarHBondContact O-N 3.25Å; R140-E147 IonicContact NH2-OE1 3.26Å; R140-E147 PolarHBondContact NH2-OE1 2.85Å | ||
| 141 | P | 92.7 | Very high | 96.3 | Very high | 120 Ų | 120 | 67.1 Ų | 67.1 | 78% | 0.779 | 35% | 0.354 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.1 | -20 | 179.4 | -24.3 | 33.6 | 0 | 0 | 0 | 115.3 | ||
| 142 | D | 94.2 | Very high | 96.3 | Very high | 96 Ų | 96 | 68.6 Ų | 68.6 | 51% | 0.513 | 36% | 0.361 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -97.7 | 9.5 | -175.8 | 66.6 | -29.6 | 0 | 0 | 0 | 113.7 | N2 R140 | N2-D142 PolarHBondContact ND2-O 3.17Å; R140-D142 WeakPolarHBondContact CB-OD1 3.09Å; R140-D142 IonicContact NE-OD1 2.89Å; R140-D142 PolarHBondContact O-N 3.47Å; R140-D142 VanDerWaalsContact O-N 3.14Å |
| 143 | M | 95.3 | Very high | 96.2 | Very high | 13 Ų | 13 | 69.7 Ų | 69.7 | 6% | 0.064 | 36% | 0.36 | C | S | . | . | trans | -59.8 | 138.6 | -178.4 | -74 | 174.9 | 82.1 | 0 | 0 | 112.1 | F4 R140 E147 A148 L151 | F4-M143 WeakPolarHBondContact CE1-O 3.43Å; R140-M143 HydrophobicContact CB-CG 4.03Å; R140-M143 PolarHBondContact N-SD 2.89Å; R140-M143 WeakPolarHBondContact O-CG 3.46Å; R140-M143 PolarHBondContact O-N 3.25Å; M143-E147 HydrophobicContact CB-CB 4.33Å; M143-E147 HydrophobicContact CE-CB 3.82Å; M143-E147 VanDerWaalsContact CE-O 3.26Å; M143-E147 WeakPolarHBondContact CE-O 3.24Å; M143-E147 HydrophobicContact CG-CB 4.44Å; M143-A148 HydrophobicContact CE-CB 4.47Å; M143-L151 HydrophobicContact CE-CB 3.78Å; M143-L151 HydrophobicContact CE-CD2 3.69Å; M143-L151 HydrophobicContact CE-CG 4.39Å; M143-L151 HydrophobicContact SD-CD2 3.98Å | ||
| 144 | T | 96.1 | Very high | 96.1 | Very high | 52 Ų | 52 | 69.6 Ų | 69.6 | 32% | 0.319 | 35% | 0.354 | S | S | . | . | trans | -74.8 | 161 | 166.4 | 63 | 0 | 0 | 0 | 0 | 111 | N146 E147 A148 | T144-N146 PolarHBondContact O-N 2.79Å; T144-E147 PolarHBondContact N-OE2 3.46Å; T144-E147 PolarHBondContact O-N 2.6Å; T144-E147 VanDerWaalsContact O-N 3.12Å; T144-E147 WeakPolarHBondContact OG1-CG 3.28Å; T144-E147 PolarHBondContact OG1-N 3.22Å; T144-E147 PolarHBondContact OG1-OE2 2.69Å; T144-A148 PolarHBondContact O-N 2.92Å | ||
| 145 | V | 95.4 | Very high | 96 | Very high | 31 Ų | 31 | 68.6 Ų | 68.6 | 19% | 0.188 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -51.8 | -43.4 | 174.7 | 178.8 | 0 | 0 | 0 | 0 | 111.9 | F4 A148 V149 I174 L183 | F4-V145 HydrophobicContact CD1-CG2 3.79Å; F4-V145 HydrophobicContact CD2-CG2 4.44Å; F4-V145 HydrophobicContact CE1-CG2 3.75Å; F4-V145 HydrophobicContact CE2-CG2 4.4Å; F4-V145 HydrophobicContact CG-CG2 4.16Å; F4-V145 HydrophobicContact CZ-CB 4.47Å; F4-V145 HydrophobicContact CZ-CG2 4.07Å; V145-A148 PolarHBondContact O-N 3Å; V145-V149 HydrophobicContact CG1-CG2 4.36Å; V145-V149 VanDerWaalsContact O-CG2 3.29Å; V145-V149 WeakPolarHBondContact O-CG2 3.5Å; V145-V149 PolarHBondContact O-N 2.84Å; V145-I174 HydrophobicContact CB-CD1 4.34Å; V145-I174 HydrophobicContact CG1-CD1 3.83Å; V145-I174 HydrophobicContact CG2-CD1 3.55Å; V145-L183 HydrophobicContact CG1-CD1 4.37Å |
| 146 | N | 95.3 | Very high | 95.9 | Very high | 135 Ų | 135 | 67.9 Ų | 67.9 | 72% | 0.722 | 35% | 0.345 | S | S | * | . | H | α-helix | trans | -65.4 | -41.2 | -180 | -70.2 | -18.5 | 0 | 0 | 0 | 112.5 | T144 A150 | T144-N146 PolarHBondContact O-N 2.79Å; N146-A150 WeakPolarHBondContact O-CB 3.3Å; N146-A150 PolarHBondContact O-N 3.16Å |
| 147 | E | 96.4 | Very high | 95.8 | Very high | 74 Ų | 74 | 66.1 Ų | 66.1 | 35% | 0.346 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -66.4 | -39.9 | 175.4 | -70.1 | 170.6 | 119.6 | 0 | 0 | 111.5 | R140 M143 T144 A150 L151 | R140-E147 IonicContact NH2-OE1 3.26Å; R140-E147 PolarHBondContact NH2-OE1 2.85Å; M143-E147 HydrophobicContact CB-CB 4.33Å; M143-E147 HydrophobicContact CE-CB 3.82Å; M143-E147 VanDerWaalsContact CE-O 3.26Å; M143-E147 WeakPolarHBondContact CE-O 3.24Å; M143-E147 HydrophobicContact CG-CB 4.44Å; T144-E147 PolarHBondContact N-OE2 3.46Å; T144-E147 PolarHBondContact O-N 2.6Å; T144-E147 VanDerWaalsContact O-N 3.12Å; T144-E147 WeakPolarHBondContact OG1-CG 3.28Å; T144-E147 PolarHBondContact OG1-N 3.22Å; T144-E147 PolarHBondContact OG1-OE2 2.69Å; E147-A150 PolarHBondContact O-N 3.31Å; E147-L151 WeakPolarHBondContact O-CB 3.42Å; E147-L151 PolarHBondContact O-N 3.36Å |
| 148 | A | 96.6 | Very high | 95.6 | Very high | 15 Ų | 15 | 57.8 Ų | 57.8 | 12% | 0.124 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -64.9 | -42.4 | 177.5 | 0 | 0 | 0 | 0 | 0 | 111.5 | F4 L6 M143 T144 V145 A150 L151 L152 | F4-A148 HydrophobicContact CE2-CB 3.73Å; F4-A148 HydrophobicContact CZ-CB 3.7Å; L6-A148 HydrophobicContact CD2-CB 4.19Å; M143-A148 HydrophobicContact CE-CB 4.47Å; T144-A148 PolarHBondContact O-N 2.92Å; V145-A148 PolarHBondContact O-N 3Å; A148-A150 VanDerWaalsContact C-N 3.35Å; A148-L151 PolarHBondContact O-N 3.17Å; A148-L152 WeakPolarHBondContact O-CB 3.32Å; A148-L152 PolarHBondContact O-N 3.4Å |
| 149 | V | 96.4 | Very high | 95.5 | Very high | 32 Ų | 32 | 54.1 Ų | 54.1 | 19% | 0.194 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -64.6 | -38.5 | 173.9 | 172.2 | 0 | 0 | 0 | 0 | 111.3 | L6 V145 L152 R153 L183 L186 | L6-V149 HydrophobicContact CD1-CG2 4.37Å; L6-V149 HydrophobicContact CD2-CG2 4Å; V145-V149 HydrophobicContact CG1-CG2 4.36Å; V145-V149 VanDerWaalsContact O-CG2 3.29Å; V145-V149 WeakPolarHBondContact O-CG2 3.5Å; V145-V149 PolarHBondContact O-N 2.84Å; V149-L152 PolarHBondContact O-N 3.23Å; V149-R153 WeakPolarHBondContact O-CB 3.2Å; V149-R153 PolarHBondContact O-N 3.4Å; V149-L183 HydrophobicContact CG2-CD1 4.11Å; V149-L186 HydrophobicContact CG1-CD2 4.06Å |
| 150 | A | 96.1 | Very high | 95.3 | Very high | 53 Ų | 53 | 52.9 Ų | 52.9 | 44% | 0.438 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -64.9 | -41.9 | 175 | 0 | 0 | 0 | 0 | 0 | 112.2 | N146 E147 A148 R153 L154 | N146-A150 WeakPolarHBondContact O-CB 3.3Å; N146-A150 PolarHBondContact O-N 3.16Å; E147-A150 PolarHBondContact O-N 3.31Å; A148-A150 VanDerWaalsContact C-N 3.35Å; A150-R153 PolarHBondContact O-N 3.19Å; A150-L154 PolarHBondContact O-N 3.16Å |
| 151 | L | 96.8 | Very high | 95.2 | Very high | 11 Ų | 11 | 54 Ų | 54 | 6% | 0.058 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -64.4 | -42.6 | 174.5 | 177 | 56.4 | 0 | 0 | 0 | 111.9 | I134 L135 M138 H139 M143 E147 A148 R153 L154 C155 | I134-L151 HydrophobicContact CG2-CD1 3.88Å; L135-L151 HydrophobicContact CD2-CD2 3.99Å; L135-L151 HydrophobicContact CD2-CG 4.11Å; M138-L151 HydrophobicContact CB-CD1 3.56Å; M138-L151 HydrophobicContact CB-CD2 4.33Å; M138-L151 HydrophobicContact CG-CD1 4.35Å; M138-L151 HydrophobicContact SD-CD1 4.14Å; H139-L151 HydrophobicContact CB-CD2 4.22Å; M143-L151 HydrophobicContact CE-CB 3.78Å; M143-L151 HydrophobicContact CE-CD2 3.69Å; M143-L151 HydrophobicContact CE-CG 4.39Å; M143-L151 HydrophobicContact SD-CD2 3.98Å; E147-L151 WeakPolarHBondContact O-CB 3.42Å; E147-L151 PolarHBondContact O-N 3.36Å; A148-L151 PolarHBondContact O-N 3.17Å; L151-R153 VanDerWaalsContact C-N 3.31Å; L151-R153 PolarHBondContact O-N 2.93Å; L151-L154 WeakPolarHBondContact O-CB 3.27Å; L151-L154 PolarHBondContact O-N 3.47Å; L151-C155 PolarHBondContact O-N 2.86Å; L151-C155 PolarHBondContact O-SG 3.4Å |
| 152 | L | 96.4 | Very high | 95.2 | Very high | 34 Ų | 34 | 56 Ų | 56 | 18% | 0.178 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -58.9 | -44.4 | 174 | 174.9 | 64.2 | 0 | 0 | 0 | 111.1 | L6 A8 A148 V149 L154 C155 I156 V172 L186 | L6-L152 HydrophobicContact CD2-CB 4.35Å; L6-L152 HydrophobicContact CD2-CD2 3.87Å; L6-L152 HydrophobicContact CG-CD2 4.5Å; A8-L152 HydrophobicContact CB-CD1 3.7Å; A8-L152 HydrophobicContact CB-CD2 3.54Å; A8-L152 HydrophobicContact CB-CG 4.19Å; A148-L152 WeakPolarHBondContact O-CB 3.32Å; A148-L152 PolarHBondContact O-N 3.4Å; V149-L152 PolarHBondContact O-N 3.23Å; L152-L154 VanDerWaalsContact C-N 3.33Å; L152-L154 PolarHBondContact O-N 3.28Å; L152-C155 WeakPolarHBondContact O-CB 3.5Å; L152-C155 PolarHBondContact O-N 3.28Å; L152-I156 HydrophobicContact CD1-CD1 4.04Å; L152-I156 HydrophobicContact CD1-CG1 4.34Å; L152-I156 HydrophobicContact CG-CD1 3.9Å; L152-I156 WeakPolarHBondContact O-CG1 3.29Å; L152-I156 PolarHBondContact O-N 2.92Å; L152-V172 HydrophobicContact CD2-CG1 4.14Å; L152-V172 HydrophobicContact CD2-CG2 3.86Å; L152-L186 HydrophobicContact CD2-CD1 3.61Å; L152-L186 HydrophobicContact CG-CD1 3.89Å |
| 153 | R | 95.9 | Very high | 95.1 | Very high | 84 Ų | 84 | 53.5 Ų | 53.5 | 32% | 0.317 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -59.7 | -41.8 | 176 | -176.9 | 175.5 | -68.7 | -84.9 | 6.8 | 111.9 | V149 A150 L151 I156 Q157 T187 F189 | V149-R153 WeakPolarHBondContact O-CB 3.2Å; V149-R153 PolarHBondContact O-N 3.4Å; A150-R153 PolarHBondContact O-N 3.19Å; L151-R153 VanDerWaalsContact C-N 3.31Å; L151-R153 PolarHBondContact O-N 2.93Å; R153-I156 PolarHBondContact O-N 3.46Å; R153-Q157 WeakPolarHBondContact O-CB 3.41Å; R153-Q157 VanDerWaalsContact O-CG 3.27Å; R153-Q157 WeakPolarHBondContact O-CG 3.36Å; R153-Q157 PolarHBondContact O-N 2.82Å; R153-T187 PolarHBondContact NH1-O 3.46Å; R153-F189 HydrophobicContact CG-CD1 4.5Å; R153-F189 HydrophobicContact CG-CE1 4.18Å |
| 154 | L | 95.2 | Very high | 95 | Very high | 73 Ų | 73 | 59.8 Ų | 59.8 | 38% | 0.382 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -60.8 | -43.7 | 174.3 | -77 | 166.6 | 0 | 0 | 0 | 112 | M138 A150 L151 L152 I156 Q157 E158 | M138-L154 HydrophobicContact CE-CD1 3.89Å; M138-L154 HydrophobicContact SD-CD1 4.03Å; A150-L154 PolarHBondContact O-N 3.16Å; L151-L154 WeakPolarHBondContact O-CB 3.27Å; L151-L154 PolarHBondContact O-N 3.47Å; L152-L154 VanDerWaalsContact C-N 3.33Å; L152-L154 PolarHBondContact O-N 3.28Å; L154-I156 PolarHBondContact O-N 3.48Å; L154-Q157 PolarHBondContact O-N 3.45Å; L154-E158 PolarHBondContact O-N 2.79Å; L154-E158 VanDerWaalsContact O-N 3.12Å |
| 155 | C | 96.4 | Very high | 94.8 | Very high | 8 Ų | 8 | 61.2 Ų | 61.2 | 5% | 0.054 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -60.8 | -46 | 176.8 | -64.1 | 0 | 0 | 0 | 0 | 111.3 | A131 L151 L152 E158 V159 | A131-C155 HydrophobicContact CB-CB 3.99Å; L151-C155 PolarHBondContact O-N 2.86Å; L151-C155 PolarHBondContact O-SG 3.4Å; L152-C155 WeakPolarHBondContact O-CB 3.5Å; L152-C155 PolarHBondContact O-N 3.28Å; C155-E158 PolarHBondContact O-N 2.81Å; C155-V159 WeakPolarHBondContact O-CG2 3.25Å; C155-V159 PolarHBondContact O-N 2.96Å |
| 156 | I | 95.5 | Very high | 94.5 | Very high | 5 Ų | 5 | 63.8 Ų | 63.8 | 3% | 0.026 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -64.9 | -40.5 | 179.4 | -65.7 | 164.1 | 0 | 0 | 0 | 111.4 | L152 R153 L154 E158 V159 Q160 Y170 L186 F189 | L152-I156 HydrophobicContact CD1-CD1 4.04Å; L152-I156 HydrophobicContact CD1-CG1 4.34Å; L152-I156 HydrophobicContact CG-CD1 3.9Å; L152-I156 WeakPolarHBondContact O-CG1 3.29Å; L152-I156 PolarHBondContact O-N 2.92Å; R153-I156 PolarHBondContact O-N 3.46Å; L154-I156 PolarHBondContact O-N 3.48Å; I156-E158 VanDerWaalsContact C-N 3.3Å; I156-E158 PolarHBondContact O-N 2.94Å; I156-V159 WeakPolarHBondContact O-CB 3.48Å; I156-V159 PolarHBondContact O-N 3.32Å; I156-Q160 HydrophobicContact CG2-CG 4.35Å; I156-Q160 WeakPolarHBondContact O-CG 3.34Å; I156-Q160 PolarHBondContact O-N 3.35Å; I156-Y170 HydrophobicContact CB-CD2 4.49Å; I156-Y170 HydrophobicContact CB-CE2 4.28Å; I156-Y170 HydrophobicContact CD1-CD1 4.04Å; I156-Y170 HydrophobicContact CD1-CD2 3.84Å; I156-Y170 HydrophobicContact CD1-CE2 4.34Å; I156-Y170 HydrophobicContact CD1-CG 3.67Å; I156-Y170 HydrophobicContact CG1-CD1 4.24Å; I156-Y170 HydrophobicContact CG1-CD2 4.07Å; I156-Y170 HydrophobicContact CG1-CE1 4.24Å; I156-Y170 HydrophobicContact CG1-CE2 4.06Å; I156-Y170 HydrophobicContact CG1-CG 4.17Å; I156-Y170 HydrophobicContact CG2-CD2 3.57Å; I156-Y170 HydrophobicContact CG2-CE2 3.27Å; I156-Y170 HydrophobicContact CG2-CG 4.47Å; I156-L186 HydrophobicContact CD1-CB 4.44Å; I156-L186 HydrophobicContact CD1-CD1 3.71Å; I156-F189 HydrophobicContact CB-CD1 4.28Å; I156-F189 HydrophobicContact CB-CE1 3.9Å; I156-F189 HydrophobicContact CB-CZ 4.12Å; I156-F189 HydrophobicContact CD1-CE1 4.28Å; I156-F189 HydrophobicContact CD1-CZ 4Å; I156-F189 HydrophobicContact CG2-CD1 3.69Å; I156-F189 HydrophobicContact CG2-CD2 3.76Å; I156-F189 HydrophobicContact CG2-CE1 3.48Å; I156-F189 VanDerWaalsContact CG2-CE1 3.48Å; I156-F189 HydrophobicContact CG2-CE2 3.57Å; I156-F189 HydrophobicContact CG2-CG 3.79Å; I156-F189 HydrophobicContact CG2-CZ 3.38Å |
| 157 | Q | 94.2 | Very high | 94.4 | Very high | 79 Ų | 79 | 58.4 Ų | 58.4 | 37% | 0.369 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -58.9 | -41.9 | 175.5 | -76.8 | 173 | -23.6 | 0 | 0 | 111.8 | R153 L154 Q160 K161 F189 | R153-Q157 WeakPolarHBondContact O-CB 3.41Å; R153-Q157 VanDerWaalsContact O-CG 3.27Å; R153-Q157 WeakPolarHBondContact O-CG 3.36Å; R153-Q157 PolarHBondContact O-N 2.82Å; L154-Q157 PolarHBondContact O-N 3.45Å; Q157-Q160 PolarHBondContact O-N 3.02Å; Q157-K161 WeakPolarHBondContact O-CB 3.36Å; Q157-K161 PolarHBondContact O-N 3.37Å; Q157-F189 HydrophobicContact CG-CB 4.5Å; Q157-F189 HydrophobicContact CG-CD1 4.07Å |
| 158 | E | 94.2 | Very high | 94.1 | Very high | 46 Ų | 46 | 57.8 Ų | 57.8 | 22% | 0.215 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -68.7 | -37 | 177.1 | -166.2 | 72.7 | 166.4 | 0 | 0 | 112.1 | V130 I134 L154 C155 I156 K161 R162 | V130-E158 HydrophobicContact CB-CG 4.06Å; V130-E158 HydrophobicContact CG2-CG 4.39Å; I134-E158 HydrophobicContact CD1-CB 3.53Å; I134-E158 HydrophobicContact CD1-CG 3.83Å; L154-E158 PolarHBondContact O-N 2.79Å; L154-E158 VanDerWaalsContact O-N 3.12Å; C155-E158 PolarHBondContact O-N 2.81Å; I156-E158 VanDerWaalsContact C-N 3.3Å; I156-E158 PolarHBondContact O-N 2.94Å; E158-K161 PolarHBondContact O-N 2.76Å; E158-R162 WeakPolarHBondContact O-CB 3.37Å; E158-R162 PolarHBondContact O-N 2.9Å; E158-R162 IonicContact OE1-CZ 2.67Å; E158-R162 IonicContact OE1-NE 2.72Å; E158-R162 PolarHBondContact OE1-NE 3.32Å; E158-R162 IonicContact OE1-NH2 2.67Å; E158-R162 PolarHBondContact OE1-NH2 3.05Å |
| 159 | V | 94.6 | Very high | 94 | Very high | 7 Ų | 7 | 61.4 Ų | 61.4 | 4% | 0.042 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -59.9 | -49.2 | 171.4 | 173.6 | 0 | 0 | 0 | 0 | 110.4 | V130 C155 I156 K161 R162 L163 L167 | V130-V159 HydrophobicContact CG2-CB 4.35Å; V130-V159 HydrophobicContact CG2-CG2 3.56Å; C155-V159 WeakPolarHBondContact O-CG2 3.25Å; C155-V159 PolarHBondContact O-N 2.96Å; I156-V159 WeakPolarHBondContact O-CB 3.48Å; I156-V159 PolarHBondContact O-N 3.32Å; V159-K161 VanDerWaalsContact C-N 3.27Å; V159-K161 PolarHBondContact O-N 3.22Å; V159-R162 PolarHBondContact O-N 3.22Å; V159-L163 HydrophobicContact CG1-CB 4.07Å; V159-L163 HydrophobicContact CG1-CD2 3.85Å; V159-L163 WeakPolarHBondContact O-CB 3.17Å; V159-L163 PolarHBondContact O-N 2.89Å; V159-L167 HydrophobicContact CG1-CD1 4.35Å |
| 160 | Q | 92.6 | Very high | 94 | Very high | 33 Ų | 33 | 61 Ų | 61 | 15% | 0.154 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -61.9 | -34.4 | 178.2 | -72.6 | -45.6 | -70.1 | 0 | 0 | 113.3 | I156 Q157 L167 F189 | I156-Q160 HydrophobicContact CG2-CG 4.35Å; I156-Q160 WeakPolarHBondContact O-CG 3.34Å; I156-Q160 PolarHBondContact O-N 3.35Å; Q157-Q160 PolarHBondContact O-N 3.02Å; Q160-L167 VanDerWaalsContact NE2-C 3.32Å; Q160-L167 VanDerWaalsContact NE2-CB 3.32Å; Q160-L167 PolarHBondContact NE2-O 3.42Å; Q160-L167 PolarHBondContact OE1-O 2.98Å; Q160-F189 HydrophobicContact CB-CB 4.26Å; Q160-F189 HydrophobicContact CG-CB 3.67Å; Q160-F189 HydrophobicContact CG-CD2 4.26Å; Q160-F189 HydrophobicContact CG-CG 4.2Å |
| 161 | K | 92.6 | Very high | 94.1 | Very high | 132 Ų | 132 | 58.6 Ų | 58.6 | 57% | 0.574 | 28% | 0.279 | S | S | * | . | H | α-helix | trans | -72.8 | -34.9 | 179.6 | -175.8 | 173.9 | -179.6 | 172.3 | 0 | 113.3 | Q157 E158 V159 V191 | Q157-K161 WeakPolarHBondContact O-CB 3.36Å; Q157-K161 PolarHBondContact O-N 3.37Å; E158-K161 PolarHBondContact O-N 2.76Å; V159-K161 VanDerWaalsContact C-N 3.27Å; V159-K161 PolarHBondContact O-N 3.22Å; K161-V191 HydrophobicContact CB-CG2 3.99Å; K161-V191 HydrophobicContact CG-CG1 4.34Å; K161-V191 HydrophobicContact CG-CG2 4.4Å |
| 162 | R | 93.1 | Very high | 94.1 | Very high | 164 Ų | 164 | 58.1 Ų | 58.1 | 62% | 0.619 | 28% | 0.276 | S | S | * | . | H | α-helix | trans | -111.2 | -28.2 | -169.2 | -64 | -166.1 | -172.8 | -95.1 | -2.4 | 115.2 | V130 E158 V159 | V130-R162 HydrophobicContact CG1-CB 4.23Å; E158-R162 WeakPolarHBondContact O-CB 3.37Å; E158-R162 PolarHBondContact O-N 2.9Å; E158-R162 IonicContact OE1-CZ 2.67Å; E158-R162 IonicContact OE1-NE 2.72Å; E158-R162 PolarHBondContact OE1-NE 3.32Å; E158-R162 IonicContact OE1-NH2 2.67Å; E158-R162 PolarHBondContact OE1-NH2 3.05Å; V159-R162 PolarHBondContact O-N 3.22Å |
| 163 | L | 92.6 | Very high | 94.2 | Very high | 42 Ų | 42 | 57.6 Ų | 57.6 | 22% | 0.22 | 27% | 0.272 | C | S | . | . | trans | -82.1 | 136.3 | -177 | -168 | 65.3 | 0 | 0 | 0 | 109.8 | V159 I165 L167 | V159-L163 HydrophobicContact CG1-CB 4.07Å; V159-L163 HydrophobicContact CG1-CD2 3.85Å; V159-L163 WeakPolarHBondContact O-CB 3.17Å; V159-L163 PolarHBondContact O-N 2.89Å; L163-I165 HydrophobicContact CD2-CB 4.16Å; L163-I165 HydrophobicContact CG-CB 4.24Å; L163-I165 HydrophobicContact CG-CG1 4.48Å; L163-I165 PolarHBondContact O-N 3.37Å; L163-L167 HydrophobicContact CD2-CD1 4.03Å | ||
| 164 | V | 92.7 | Very high | 94.3 | Very high | 145 Ų | 145 | 53.9 Ų | 53.9 | 88% | 0.879 | 26% | 0.258 | S | S | * | . | S | Bend | trans | -67.4 | -17 | 179.1 | 69.4 | 0 | 0 | 0 | 0 | 113.3 | ||
| 165 | I | 91.5 | Very high | 94.4 | Very high | 82 Ų | 82 | 50.4 Ų | 50.4 | 42% | 0.421 | 24% | 0.24 | S | C | . | . | S | Bend | trans | -92.1 | 124.1 | -177.8 | -53.8 | 175.5 | 0 | 0 | 0 | 108.7 | L163 L167 | L163-I165 HydrophobicContact CD2-CB 4.16Å; L163-I165 HydrophobicContact CG-CB 4.24Å; L163-I165 HydrophobicContact CG-CG1 4.48Å; L163-I165 PolarHBondContact O-N 3.37Å; I165-L167 HydrophobicContact CG2-CD2 3.84Å; I165-L167 HydrophobicContact CG2-CG 4.13Å; I165-L167 PolarHBondContact O-N 3.37Å |
| 166 | N | 90.1 | Very high | 94.4 | Very high | 85 Ų | 85 | 50.4 Ų | 50.4 | 46% | 0.455 | 24% | 0.24 | S | C | . | . | trans | -71 | 117.5 | 174 | -178.7 | 3.9 | 0 | 0 | 0 | 110.1 | R12 | R12-N166 WeakPolarHBondContact CD-O 3.38Å; R12-N166 PolarHBondContact NE-O 3.49Å; R12-N166 PolarHBondContact NH1-ND2 3.18Å; R12-N166 PolarHBondContact NH1-O 3.14Å; R12-N166 VanDerWaalsContact NH1-O 3.13Å; R12-N166 PolarHBondContact NH2-ND2 3.17Å; R12-N166 VanDerWaalsContact NH2-ND2 3.12Å | ||
| 167 | L | 92 | Very high | 94.4 | Very high | 22 Ų | 22 | 55.5 Ų | 55.5 | 12% | 0.115 | 26% | 0.262 | C | S | . | . | trans | -129.6 | 74.9 | 177.4 | -52.3 | 170.9 | 0 | 0 | 0 | 109.1 | D10 R12 V159 Q160 L163 I165 R169 Y170 | D10-L167 HydrophobicContact CB-CB 4.28Å; D10-L167 HydrophobicContact CB-CD1 4.39Å; D10-L167 HydrophobicContact CB-CD2 4.08Å; D10-L167 HydrophobicContact CB-CG 4.49Å; R12-L167 HydrophobicContact CB-CD2 4.42Å; V159-L167 HydrophobicContact CG1-CD1 4.35Å; Q160-L167 VanDerWaalsContact NE2-C 3.32Å; Q160-L167 VanDerWaalsContact NE2-CB 3.32Å; Q160-L167 PolarHBondContact NE2-O 3.42Å; Q160-L167 PolarHBondContact OE1-O 2.98Å; L163-L167 HydrophobicContact CD2-CD1 4.03Å; I165-L167 HydrophobicContact CG2-CD2 3.84Å; I165-L167 HydrophobicContact CG2-CG 4.13Å; I165-L167 PolarHBondContact O-N 3.37Å; L167-R169 PolarHBondContact O-N 3.27Å; L167-Y170 HydrophobicContact CB-CE2 4Å; L167-Y170 WeakPolarHBondContact CD1-OH 3.38Å; L167-Y170 WeakPolarHBondContact O-CE2 3.47Å | ||
| 168 | D | 90 | Very high | 94.4 | Very high | 62 Ų | 62 | 57.9 Ų | 57.9 | 33% | 0.332 | 28% | 0.277 | S | S | . | . | trans | -78.6 | -13.2 | -169.7 | 56.8 | -10.1 | 0 | 0 | 0 | 115.9 | R12 F189 | R12-D168 IonicContact CZ-OD1 3.33Å; R12-D168 IonicContact CZ-OD2 3.7Å; R12-D168 IonicContact NE-OD1 2.76Å; R12-D168 PolarHBondContact NE-OD1 3.41Å; R12-D168 IonicContact NE-OD2 3.88Å; R12-D168 IonicContact NH2-OD1 3.12Å; R12-D168 PolarHBondContact NH2-OD1 3.03Å; R12-D168 VanDerWaalsContact NH2-OD1 3.12Å; R12-D168 IonicContact NH2-OD2 2.73Å; R12-D168 PolarHBondContact NH2-OD2 2.91Å; D168-F189 WeakPolarHBondContact O-CD2 3.18Å; D168-F189 WeakPolarHBondContact O-CE2 3.48Å | ||
| 169 | R | 94.8 | Very high | 94.5 | Very high | 90 Ų | 90 | 56.2 Ų | 56.2 | 34% | 0.34 | 27% | 0.273 | S | S | . | . | trans | -138.6 | 131.5 | -175.9 | -172 | 178.5 | -175.3 | 172.9 | 1.8 | 111.8 | D10 M11 L167 D185 L186 T187 | D10-R169 WeakPolarHBondContact CA-O 3.33Å; M11-R169 HydrophobicContact CB-CG 4.4Å; M11-R169 HydrophobicContact CG-CG 4.17Å; M11-R169 PolarHBondContact N-O 2.84Å; M11-R169 HydrophobicContact SD-CG 3.64Å; M11-R169 PolarHBondContact SD-NE 3.06Å; M11-R169 VanDerWaalsContact SD-NE 3.44Å; L167-R169 PolarHBondContact O-N 3.27Å; R169-D185 HydrophobicContact CG-CB 4.38Å; R169-D185 IonicContact CZ-OD2 3.42Å; R169-D185 VanDerWaalsContact CZ-OD2 3.26Å; R169-D185 IonicContact NE-OD2 3.7Å; R169-D185 PolarHBondContact NE-OD2 3.36Å; R169-D185 IonicContact NH2-OD2 3.27Å; R169-D185 PolarHBondContact NH2-OD2 3.41Å; R169-L186 WeakPolarHBondContact CA-O 3.41Å; R169-T187 HydrophobicContact CB-CG2 4.36Å; R169-T187 HydrophobicContact CG-CG2 3.88Å | ||
| 170 | Y | 97 | Very high | 94.6 | Very high | 24 Ų | 24 | 57.3 Ų | 57.3 | 9% | 0.094 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.6 | 127.9 | 176.3 | -72.9 | -104.1 | 0 | 0 | 0 | 110.7 | A9 D10 I156 L167 D185 L186 F189 | A9-Y170 CarbonylContact O-C 3.48Å; A9-Y170 VanDerWaalsContact O-CA 3.25Å; A9-Y170 WeakPolarHBondContact O-CA 3.34Å; D10-Y170 HydrophobicContact CB-CD1 4.14Å; D10-Y170 HydrophobicContact CB-CE1 3.8Å; I156-Y170 HydrophobicContact CB-CD2 4.49Å; I156-Y170 HydrophobicContact CB-CE2 4.28Å; I156-Y170 HydrophobicContact CD1-CD1 4.04Å; I156-Y170 HydrophobicContact CD1-CD2 3.84Å; I156-Y170 HydrophobicContact CD1-CE2 4.34Å; I156-Y170 HydrophobicContact CD1-CG 3.67Å; I156-Y170 HydrophobicContact CG1-CD1 4.24Å; I156-Y170 HydrophobicContact CG1-CD2 4.07Å; I156-Y170 HydrophobicContact CG1-CE1 4.24Å; I156-Y170 HydrophobicContact CG1-CE2 4.06Å; I156-Y170 HydrophobicContact CG1-CG 4.17Å; I156-Y170 HydrophobicContact CG2-CD2 3.57Å; I156-Y170 HydrophobicContact CG2-CE2 3.27Å; I156-Y170 HydrophobicContact CG2-CG 4.47Å; L167-Y170 HydrophobicContact CB-CE2 4Å; L167-Y170 WeakPolarHBondContact CD1-OH 3.38Å; L167-Y170 WeakPolarHBondContact O-CE2 3.47Å; Y170-D185 CarbonylContact O-C 3.52Å; Y170-D185 WeakPolarHBondContact O-CA 3.14Å; Y170-L186 PolarHBondContact N-O 3.06Å; Y170-L186 PolarHBondContact O-N 3.26Å; Y170-F189 AromaticContact CD2-CE2 3.89Å; Y170-F189 HydrophobicContact CD2-CE2 3.89Å; Y170-F189 HydrophobicContact CD2-CZ 4.17Å; Y170-F189 HydrophobicContact CE2-CE2 4.44Å |
| 171 | M | 97.4 | Very high | 94.8 | Very high | 2 Ų | 2 | 61.2 Ų | 61.2 | 1% | 0.01 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.5 | 143.2 | 167.1 | 77.8 | -167.9 | 66.3 | 0 | 0 | 108.9 | A8 A9 M11 E24 L25 M27 | A8-M171 VanDerWaalsContact CA-O 3.23Å; A8-M171 WeakPolarHBondContact CA-O 3.25Å; A9-M171 HydrophobicContact CB-CG 4.28Å; A9-M171 HydrophobicContact CB-SD 4.45Å; A9-M171 PolarHBondContact N-O 2.87Å; A9-M171 VanDerWaalsContact N-O 3.17Å; A9-M171 PolarHBondContact O-N 3.08Å; M11-M171 HydrophobicContact CB-CE 4.43Å; M11-M171 HydrophobicContact CE-CB 4.34Å; M11-M171 HydrophobicContact CE-CE 4.17Å; M11-M171 HydrophobicContact CG-CB 4.02Å; M11-M171 HydrophobicContact CG-CE 3.61Å; M11-M171 HydrophobicContact SD-CB 3.85Å; M11-M171 HydrophobicContact SD-CE 4.4Å; E24-M171 WeakPolarHBondContact O-CE 3.47Å; L25-M171 HydrophobicContact CD2-CE 3.93Å; L25-M171 HydrophobicContact CD2-SD 4.16Å; M27-M171 HydrophobicContact CB-SD 4.26Å; M27-M171 HydrophobicContact CE-CG 3.67Å; M27-M171 HydrophobicContact CE-SD 4.21Å; M27-M171 HydrophobicContact CG-CG 4.48Å; M27-M171 HydrophobicContact CG-SD 3.8Å; M27-M171 HydrophobicContact SD-CG 4.04Å; M27-M171 HydrophobicContact SD-SD 4.02Å |
| 172 | V | 97.6 | Very high | 95 | Very high | 1 Ų | 1 | 59.9 Ų | 59.9 | 1% | 0.006 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.4 | 130.5 | 177.8 | -175.6 | 0 | 0 | 0 | 0 | 110 | L6 L7 A8 L152 L183 L186 | L6-V172 HydrophobicContact CD1-CG1 3.51Å; L6-V172 HydrophobicContact CD2-CG1 4.45Å; L6-V172 HydrophobicContact CG-CG1 4.05Å; L7-V172 WeakPolarHBondContact O-CA 3.27Å; A8-V172 HydrophobicContact CB-CG2 4.19Å; L152-V172 HydrophobicContact CD2-CG1 4.14Å; L152-V172 HydrophobicContact CD2-CG2 3.86Å; V172-L183 HydrophobicContact CB-CB 4.21Å; V172-L183 HydrophobicContact CG1-CB 4.17Å; V172-L183 HydrophobicContact CG1-CD1 3.99Å; V172-L183 PolarHBondContact O-N 3.03Å; V172-L186 HydrophobicContact CG2-CB 4.48Å; V172-L186 HydrophobicContact CG2-CD1 3.63Å; V172-L186 HydrophobicContact CG2-CG 3.59Å |
| 173 | R | 98 | Very high | 95.2 | Very high | 24 Ų | 24 | 53.6 Ų | 53.6 | 9% | 0.091 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.4 | 143.6 | 179 | -59.1 | -60.5 | 178.5 | -100.2 | 7.1 | 109.3 | L7 M27 L35 E181 E182 L183 D185 | L7-R173 PolarHBondContact N-O 3.23Å; L7-R173 PolarHBondContact O-N 3.12Å; M27-R173 HydrophobicContact SD-CB 3.85Å; M27-R173 HydrophobicContact SD-CG 3.43Å; M27-R173 WeakPolarHBondContact SD-CG 3.33Å; L35-R173 HydrophobicContact CD2-CB 3.54Å; L35-R173 HydrophobicContact CD2-CG 4.13Å; R173-E181 WeakPolarHBondContact CA-O 3.47Å; R173-E182 IonicContact CZ-OE2 3.78Å; R173-E182 VanDerWaalsContact CZ-OE2 3.27Å; R173-E182 VanDerWaalsContact NE-CD 3.26Å; R173-E182 VanDerWaalsContact NE-CG 3.27Å; R173-E182 IonicContact NE-OE1 3.17Å; R173-E182 IonicContact NE-OE2 3.21Å; R173-E182 PolarHBondContact NE-OE2 2.72Å; R173-E182 IonicContact NH2-OE2 3.02Å; R173-E182 PolarHBondContact NH2-OE2 2.92Å; R173-L183 PolarHBondContact NH1-O 3.13Å; R173-D185 IonicContact NH1-OD1 2.64Å |
| 174 | I | 97.5 | Very high | 95.3 | Very high | 5 Ų | 5 | 56.9 Ų | 56.9 | 3% | 0.026 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.7 | 135.8 | 177.8 | -170.8 | 173.5 | 0 | 0 | 0 | 109.4 | F4 V5 L6 V145 T176 I180 E181 L183 | F4-I174 HydrophobicContact CB-CD1 3.74Å; F4-I174 HydrophobicContact CB-CG1 3.81Å; F4-I174 HydrophobicContact CD2-CD1 3.75Å; F4-I174 HydrophobicContact CD2-CG1 4.01Å; F4-I174 HydrophobicContact CG-CD1 3.78Å; F4-I174 HydrophobicContact CG-CG1 4.2Å; V5-I174 WeakPolarHBondContact O-CA 3.15Å; L6-I174 HydrophobicContact CD1-CB 4.14Å; L6-I174 HydrophobicContact CD1-CG1 4.49Å; V145-I174 HydrophobicContact CB-CD1 4.34Å; V145-I174 HydrophobicContact CG1-CD1 3.83Å; V145-I174 HydrophobicContact CG2-CD1 3.55Å; I174-T176 HydrophobicContact CD1-CG2 4.11Å; I174-T176 HydrophobicContact CG1-CG2 3.98Å; I174-I180 WeakPolarHBondContact O-CA 3.31Å; I174-E181 HydrophobicContact CG2-CB 3.75Å; I174-E181 HydrophobicContact CG2-CG 4.42Å; I174-E181 PolarHBondContact N-O 3.28Å; I174-E181 PolarHBondContact O-N 3.05Å; I174-L183 HydrophobicContact CB-CD1 4.23Å; I174-L183 HydrophobicContact CB-CG 4.44Å; I174-L183 HydrophobicContact CG2-CD1 4.27Å; I174-L183 HydrophobicContact CG2-CD2 4.13Å; I174-L183 HydrophobicContact CG2-CG 4.05Å |
| 175 | V | 97.7 | Very high | 95.5 | Very high | 0 Ų | 0 | 51.9 Ų | 51.9 | 0% | 0 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.5 | 122.4 | 175.2 | -167.1 | 0 | 0 | 0 | 0 | 108.4 | F4 V5 R33 L35 A97 F99 I180 | F4-V175 VanDerWaalsContact CA-O 3.29Å; F4-V175 WeakPolarHBondContact CA-O 3.37Å; V5-V175 HydrophobicContact CB-CB 4.48Å; V5-V175 PolarHBondContact N-O 3.4Å; V5-V175 PolarHBondContact O-N 3.37Å; R33-V175 WeakPolarHBondContact O-CG1 3.29Å; L35-V175 HydrophobicContact CB-CG2 3.92Å; L35-V175 HydrophobicContact CD2-CG2 4.26Å; A97-V175 HydrophobicContact CB-CG2 4.05Å; F99-V175 HydrophobicContact CB-CG1 4.11Å; V175-I180 HydrophobicContact CG1-CG1 4.24Å; V175-I180 HydrophobicContact CG2-CG1 4.22Å |
| 176 | T | 96.8 | Very high | 95.6 | Very high | 9 Ų | 9 | 48.4 Ų | 48.4 | 6% | 0.055 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131 | 179.8 | 179.1 | 71.4 | 0 | 0 | 0 | 0 | 110.2 | M1 F4 F99 I174 D178 G179 | M1-T176 HydrophobicContact CE-CG2 4.04Å; M1-T176 HydrophobicContact SD-CG2 4.45Å; F4-T176 HydrophobicContact CB-CG2 4.01Å; F99-T176 WeakPolarHBondContact CB-O 3.11Å; F99-T176 VanDerWaalsContact CG-C 3.49Å; I174-T176 HydrophobicContact CD1-CG2 4.11Å; I174-T176 HydrophobicContact CG1-CG2 3.98Å; T176-D178 PolarHBondContact O-N 3.14Å; T176-D178 PolarHBondContact OG1-N 3.13Å; T176-G179 PolarHBondContact N-O 3.4Å; T176-G179 PolarHBondContact O-N 3.5Å |
| 177 | K | 95.4 | Very high | 95.7 | Very high | 111 Ų | 111 | 46.6 Ų | 46.6 | 48% | 0.483 | 24% | 0.237 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -54.9 | -30.1 | 172.9 | 70.9 | -178.6 | -175.5 | 175.3 | 0 | 113.8 | M1 R33 F99 | M1-K177 HydrophobicContact CE-CG 4.39Å; R33-K177 WeakPolarHBondContact CD-O 3.37Å; F99-K177 VanDerWaalsContact CD1-CA 3.46Å; F99-K177 HydrophobicContact CD1-CB 3.88Å; F99-K177 HydrophobicContact CE1-CB 3.46Å; F99-K177 VanDerWaalsContact CE1-CB 3.46Å; F99-K177 HydrophobicContact CE2-CB 4.34Å; F99-K177 HydrophobicContact CG-CB 4.5Å; F99-K177 HydrophobicContact CZ-CB 3.72Å |
| 178 | D | 94.9 | Very high | 95.4 | Very high | 129 Ų | 129 | 52.2 Ų | 52.2 | 69% | 0.69 | 27% | 0.267 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87.2 | -12.4 | -173.7 | -59.4 | -51.2 | 0 | 0 | 0 | 111.9 | T176 | T176-D178 PolarHBondContact O-N 3.14Å; T176-D178 PolarHBondContact OG1-N 3.13Å |
| 179 | G | 95.7 | Very high | 95 | Very high | 12 Ų | 12 | 49.8 Ų | 49.8 | 12% | 0.124 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 133.2 | -159.2 | 178.8 | 0 | 0 | 0 | 0 | 0 | 113.1 | K32 T176 | K32-G179 WeakPolarHBondContact O-CA 3.49Å; T176-G179 PolarHBondContact N-O 3.4Å; T176-G179 PolarHBondContact O-N 3.5Å |
| 180 | I | 97.5 | Very high | 93.4 | Very high | 30 Ų | 30 | 49.9 Ų | 49.9 | 15% | 0.154 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.3 | 120.2 | 178.3 | -60 | 159.7 | 0 | 0 | 0 | 108.7 | K29 S31 K32 L35 I174 V175 | K29-I180 HydrophobicContact CB-CD1 4.42Å; K29-I180 HydrophobicContact CG-CD1 4.08Å; S31-I180 WeakPolarHBondContact O-CD1 3.39Å; K32-I180 WeakPolarHBondContact O-CG1 3.45Å; K32-I180 PolarHBondContact O-N 2.84Å; L35-I180 HydrophobicContact CB-CD1 3.95Å; L35-I180 HydrophobicContact CB-CG1 4.35Å; L35-I180 HydrophobicContact CD1-CD1 4.38Å; L35-I180 HydrophobicContact CD1-CG2 4.47Å; L35-I180 HydrophobicContact CD2-CG2 4Å; I174-I180 WeakPolarHBondContact O-CA 3.31Å; V175-I180 HydrophobicContact CG1-CG1 4.24Å; V175-I180 HydrophobicContact CG2-CG1 4.22Å |
| 181 | E | 96.9 | Very high | 91.5 | Very high | 115 Ų | 115 | 52.3 Ų | 52.3 | 54% | 0.537 | 29% | 0.291 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.1 | 145.8 | 176.9 | 180 | -178.7 | 174.8 | 0 | 0 | 111.3 | R173 I174 | R173-E181 WeakPolarHBondContact CA-O 3.47Å; I174-E181 HydrophobicContact CG2-CB 3.75Å; I174-E181 HydrophobicContact CG2-CG 4.42Å; I174-E181 PolarHBondContact N-O 3.28Å; I174-E181 PolarHBondContact O-N 3.05Å |
| 182 | E | 96.8 | Very high | 89.2 | Confident | 104 Ų | 104 | 61.7 Ų | 61.7 | 49% | 0.486 | 33% | 0.331 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.5 | 113.7 | 177.6 | -46.6 | -155.6 | 171.5 | 0 | 0 | 110.7 | K29 R173 | K29-E182 IonicContact NZ-OE1 2.81Å; K29-E182 PolarHBondContact NZ-OE1 2.83Å; R173-E182 IonicContact CZ-OE2 3.78Å; R173-E182 VanDerWaalsContact CZ-OE2 3.27Å; R173-E182 VanDerWaalsContact NE-CD 3.26Å; R173-E182 VanDerWaalsContact NE-CG 3.27Å; R173-E182 IonicContact NE-OE1 3.17Å; R173-E182 IonicContact NE-OE2 3.21Å; R173-E182 PolarHBondContact NE-OE2 2.72Å; R173-E182 IonicContact NH2-OE2 3.02Å; R173-E182 PolarHBondContact NH2-OE2 2.92Å |
| 183 | L | 96 | Very high | 86.6 | Confident | 32 Ų | 32 | 74 Ų | 74 | 17% | 0.168 | 39% | 0.389 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.1 | 159.5 | 174.2 | -61.6 | -174.5 | 0 | 0 | 0 | 110.2 | L6 V145 V149 V172 R173 I174 D185 | L6-L183 HydrophobicContact CD1-CD1 3.84Å; V145-L183 HydrophobicContact CG1-CD1 4.37Å; V149-L183 HydrophobicContact CG2-CD1 4.11Å; V172-L183 HydrophobicContact CB-CB 4.21Å; V172-L183 HydrophobicContact CG1-CB 4.17Å; V172-L183 HydrophobicContact CG1-CD1 3.99Å; V172-L183 PolarHBondContact O-N 3.03Å; R173-L183 PolarHBondContact NH1-O 3.13Å; I174-L183 HydrophobicContact CB-CD1 4.23Å; I174-L183 HydrophobicContact CB-CG 4.44Å; I174-L183 HydrophobicContact CG2-CD1 4.27Å; I174-L183 HydrophobicContact CG2-CD2 4.13Å; I174-L183 HydrophobicContact CG2-CG 4.05Å; L183-D185 PolarHBondContact O-N 2.92Å |
| 184 | P | 95.6 | Very high | 86 | Confident | 110 Ų | 110 | 76.6 Ų | 76.6 | 71% | 0.714 | 40% | 0.404 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -54.2 | 135.6 | 172.7 | -25.4 | 34.7 | 0 | 0 | 0 | 111.4 | ||
| 185 | D | 95.8 | Very high | 85.4 | Confident | 41 Ų | 41 | 80.3 Ų | 80.3 | 22% | 0.219 | 42% | 0.424 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -58.9 | 142.6 | 175.7 | -61.7 | -19.2 | 0 | 0 | 0 | 110.1 | R169 Y170 R173 L183 | R169-D185 HydrophobicContact CG-CB 4.38Å; R169-D185 IonicContact CZ-OD2 3.42Å; R169-D185 VanDerWaalsContact CZ-OD2 3.26Å; R169-D185 IonicContact NE-OD2 3.7Å; R169-D185 PolarHBondContact NE-OD2 3.36Å; R169-D185 IonicContact NH2-OD2 3.27Å; R169-D185 PolarHBondContact NH2-OD2 3.41Å; Y170-D185 CarbonylContact O-C 3.52Å; Y170-D185 WeakPolarHBondContact O-CA 3.14Å; R173-D185 IonicContact NH1-OD1 2.64Å; L183-D185 PolarHBondContact O-N 2.92Å |
| 186 | L | 94.6 | Very high | 84.8 | Confident | 8 Ų | 8 | 84.8 Ų | 84.8 | 4% | 0.042 | 45% | 0.448 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.3 | 119.3 | 174.9 | -57.8 | 175.8 | 0 | 0 | 0 | 108.5 | V149 L152 I156 R169 Y170 V172 F189 | V149-L186 HydrophobicContact CG1-CD2 4.06Å; L152-L186 HydrophobicContact CD2-CD1 3.61Å; L152-L186 HydrophobicContact CG-CD1 3.89Å; I156-L186 HydrophobicContact CD1-CB 4.44Å; I156-L186 HydrophobicContact CD1-CD1 3.71Å; R169-L186 WeakPolarHBondContact CA-O 3.41Å; Y170-L186 PolarHBondContact N-O 3.06Å; Y170-L186 PolarHBondContact O-N 3.26Å; V172-L186 HydrophobicContact CG2-CB 4.48Å; V172-L186 HydrophobicContact CG2-CD1 3.63Å; V172-L186 HydrophobicContact CG2-CG 3.59Å; L186-F189 VanDerWaalsContact C-CZ 3.42Å; L186-F189 HydrophobicContact CB-CE1 4.05Å; L186-F189 HydrophobicContact CB-CE2 4.44Å; L186-F189 HydrophobicContact CB-CZ 3.43Å; L186-F189 VanDerWaalsContact CB-CZ 3.43Å; L186-F189 WeakPolarHBondContact O-CE2 3.34Å; L186-F189 VanDerWaalsContact O-CZ 3.28Å; L186-F189 WeakPolarHBondContact O-CZ 3.25Å |
| 187 | T | 92.3 | Very high | 84.1 | Confident | 48 Ų | 48 | 89.2 Ų | 89.2 | 29% | 0.294 | 47% | 0.471 | S | S | . | . | trans | -124.4 | -176.2 | 175 | 57 | 0 | 0 | 0 | 0 | 110.2 | R153 R169 | R153-T187 PolarHBondContact NH1-O 3.46Å; R169-T187 HydrophobicContact CB-CG2 4.36Å; R169-T187 HydrophobicContact CG-CG2 3.88Å | ||
| 188 | D | 84.5 | Confident | 83.3 | Confident | 140 Ų | 140 | 87.9 Ų | 87.9 | 75% | 0.749 | 47% | 0.47 | S | S | * | . | trans | 63.3 | 52.1 | 166.7 | -52.5 | -54 | 0 | 0 | 0 | 114.2 | A190 | D188-A190 VanDerWaalsContact C-N 3.3Š| ||
| 189 | F | 81.7 | Confident | 82.6 | Confident | 11 Ų | 11 | 85.1 Ų | 85.1 | 5% | 0.048 | 46% | 0.455 | C | S | . | . | trans | -94.2 | 18 | 176.7 | -48.5 | -72.1 | 0 | 0 | 0 | 113.2 | R153 I156 Q157 Q160 D168 Y170 L186 V191 | R153-F189 HydrophobicContact CG-CD1 4.5Å; R153-F189 HydrophobicContact CG-CE1 4.18Å; I156-F189 HydrophobicContact CB-CD1 4.28Å; I156-F189 HydrophobicContact CB-CE1 3.9Å; I156-F189 HydrophobicContact CB-CZ 4.12Å; I156-F189 HydrophobicContact CD1-CE1 4.28Å; I156-F189 HydrophobicContact CD1-CZ 4Å; I156-F189 HydrophobicContact CG2-CD1 3.69Å; I156-F189 HydrophobicContact CG2-CD2 3.76Å; I156-F189 HydrophobicContact CG2-CE1 3.48Å; I156-F189 VanDerWaalsContact CG2-CE1 3.48Å; I156-F189 HydrophobicContact CG2-CE2 3.57Å; I156-F189 HydrophobicContact CG2-CG 3.79Å; I156-F189 HydrophobicContact CG2-CZ 3.38Å; Q157-F189 HydrophobicContact CG-CB 4.5Å; Q157-F189 HydrophobicContact CG-CD1 4.07Å; Q160-F189 HydrophobicContact CB-CB 4.26Å; Q160-F189 HydrophobicContact CG-CB 3.67Å; Q160-F189 HydrophobicContact CG-CD2 4.26Å; Q160-F189 HydrophobicContact CG-CG 4.2Å; D168-F189 WeakPolarHBondContact O-CD2 3.18Å; D168-F189 WeakPolarHBondContact O-CE2 3.48Å; Y170-F189 AromaticContact CD2-CE2 3.89Å; Y170-F189 HydrophobicContact CD2-CE2 3.89Å; Y170-F189 HydrophobicContact CD2-CZ 4.17Å; Y170-F189 HydrophobicContact CE2-CE2 4.44Å; L186-F189 VanDerWaalsContact C-CZ 3.42Å; L186-F189 HydrophobicContact CB-CE1 4.05Å; L186-F189 HydrophobicContact CB-CE2 4.44Å; L186-F189 HydrophobicContact CB-CZ 3.43Å; L186-F189 VanDerWaalsContact CB-CZ 3.43Å; L186-F189 WeakPolarHBondContact O-CE2 3.34Å; L186-F189 VanDerWaalsContact O-CZ 3.28Å; L186-F189 WeakPolarHBondContact O-CZ 3.25Å; F189-V191 PolarHBondContact O-N 2.7Å | ||
| 190 | A | 61.9 | Low | 81.6 | Confident | 91 Ų | 91 | 90.4 Ų | 90.4 | 75% | 0.752 | 48% | 0.479 | S | S | * | . | trans | -50.9 | 117.6 | -176.9 | 0 | 0 | 0 | 0 | 0 | 109.8 | D188 K192 | D188-A190 VanDerWaalsContact C-N 3.3Å; A190-K192 PolarHBondContact O-N 2.91Å | ||
| 191 | V | 56.8 | Low | 80.4 | Confident | 76 Ų | 76 | 95 Ų | 95 | 46% | 0.461 | 50% | 0.504 | S | S | . | . | trans | -65.6 | 105.8 | 175.2 | -176.3 | 0 | 0 | 0 | 0 | 105.8 | K161 F189 E193 | K161-V191 HydrophobicContact CB-CG2 3.99Å; K161-V191 HydrophobicContact CG-CG1 4.34Å; K161-V191 HydrophobicContact CG-CG2 4.4Å; F189-V191 PolarHBondContact O-N 2.7Å; V191-E193 PolarHBondContact O-N 3.14Å | ||
| 192 | K | 49.7 | Very low | 79.1 | Confident | 198 Ų | 198 | 93.3 Ų | 93.3 | 86% | 0.861 | 50% | 0.501 | S | S | * | . | trans | -66.2 | 119.8 | 163.6 | -70.3 | -175.5 | 179 | -179.1 | 0 | 106.3 | A190 | A190-K192 PolarHBondContact O-N 2.91Š| ||
| 193 | E | 43.2 | Very low | 77.4 | Confident | 261 Ų | 261 | 92.4 Ų | 92.4 | 100% | 1.22 | 50% | 0.503 | S | S | * | . | trans | -55.5 | 0 | 170.5 | -65 | -174.9 | 150.2 | 0 | 0 | 111.6 | V191 | V191-E193 PolarHBondContact O-N 3.14Š|
Retrieved 193 of 193 residues in 71.4 ms
(Link to these results)