| 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 | 38.4 | Very low | 77.5 | Confident | 243 Ų | 243 | 71.5 Ų | 71.5 | 100% | 1.197 | 43% | 0.425 | S | S | * | . | 0 | 125.7 | 0 | -72.4 | -173.7 | -96.1 | 0 | 0 | 107.1 | |||||
| 2 | A | 48 | Very low | 79.2 | Confident | 100 Ų | 100 | 65.6 Ų | 65.6 | 83% | 0.826 | 39% | 0.39 | S | S | * | . | P | Polyproline II helix | trans | -62.2 | 143.7 | 171.9 | 0 | 0 | 0 | 0 | 0 | 108.6 | ||
| 3 | A | 52.7 | Low | 80.7 | Confident | 89 Ų | 89 | 69.8 Ų | 69.8 | 74% | 0.736 | 40% | 0.395 | S | S | * | . | P | Polyproline II helix | trans | -56.7 | 141.1 | 175.3 | 0 | 0 | 0 | 0 | 0 | 109.8 | S5 | A3-S5 PolarHBondContact O-N 3.41Š|
| 4 | P | 61.2 | Low | 82 | Confident | 82 Ų | 82 | 64.9 Ų | 64.9 | 53% | 0.532 | 37% | 0.367 | S | S | . | . | P | Polyproline II helix | trans | -57.9 | 128.6 | 179.9 | 21.7 | -31 | 0 | 0 | 0 | 110.2 | R6 D29 | P4-R6 PolarHBondContact O-N 3.31Å; P4-D29 WeakPolarHBondContact CB-OD1 2.96Å |
| 5 | S | 80.1 | Confident | 83.1 | Confident | 43 Ų | 43 | 60.6 Ų | 60.6 | 30% | 0.301 | 34% | 0.343 | S | S | . | . | trans | -74.7 | 111.5 | 175.1 | -175.7 | 0 | 0 | 0 | 0 | 108.1 | A3 D29 G444 | A3-S5 PolarHBondContact O-N 3.41Å; S5-D29 PolarHBondContact O-N 3Å; S5-G444 PolarHBondContact OG-O 2.87Å | ||
| 6 | R | 92.1 | Very high | 84.1 | Confident | 79 Ų | 79 | 57.1 Ų | 57.1 | 30% | 0.298 | 32% | 0.323 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.8 | 118.7 | 176.3 | -60.2 | 179.9 | 73.9 | -161.8 | 4.4 | 108.8 | P4 V27 E28 L49 R50 | P4-R6 PolarHBondContact O-N 3.31Å; R6-V27 WeakPolarHBondContact CA-O 3.38Å; R6-E28 HydrophobicContact CG-CG 4.23Å; R6-E28 IonicContact CZ-OE1 3.67Å; R6-E28 IonicContact NE-OE1 3.94Å; R6-E28 PolarHBondContact NE-OE1 3.05Å; R6-E28 IonicContact NH2-OE1 2.87Å; R6-E28 PolarHBondContact NH2-OE1 3.39Å; R6-L49 HydrophobicContact CB-CD1 3.78Å; R6-R50 PolarHBondContact O-N 3.39Å; R6-R50 VanDerWaalsContact O-N 3.07Å |
| 7 | L | 95.3 | Very high | 85 | Confident | 7 Ų | 7 | 55.7 Ų | 55.7 | 4% | 0.037 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121 | 141.9 | 176.5 | -53.7 | 177.6 | 0 | 0 | 0 | 109.3 | V27 R50 I441 G444 V446 | L7-V27 HydrophobicContact CB-CB 4.17Å; L7-V27 PolarHBondContact N-O 3.46Å; L7-V27 PolarHBondContact O-N 3.33Å; L7-R50 CarbonylContact C-O 3.52Å; L7-R50 WeakPolarHBondContact CA-O 3.4Å; L7-R50 HydrophobicContact CD2-CB 3.74Å; L7-R50 HydrophobicContact CD2-CG 4.11Å; L7-I441 HydrophobicContact CD1-CD1 4.47Å; L7-I441 HydrophobicContact CD1-CG2 3.94Å; L7-G444 WeakPolarHBondContact CD1-O 3.4Å; L7-V446 HydrophobicContact CD1-CG2 4.09Å; L7-V446 HydrophobicContact CD2-CG2 4.47Å |
| 8 | L | 96.5 | Very high | 85.7 | Confident | 2 Ų | 2 | 57.4 Ų | 57.4 | 1% | 0.01 | 32% | 0.323 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.3 | 120.9 | 166.4 | -179.5 | 74.4 | 0 | 0 | 0 | 109.2 | D24 V25 L26 L39 L40 L49 R50 V51 L52 | L8-D24 HydrophobicContact CD1-CB 4.1Å; L8-V25 WeakPolarHBondContact CA-O 3.49Å; L8-L26 HydrophobicContact CD1-CB 4.09Å; L8-L26 HydrophobicContact CD1-CD1 4.31Å; L8-L39 HydrophobicContact CD1-CB 3.98Å; L8-L39 HydrophobicContact CD1-CD1 4.4Å; L8-L40 HydrophobicContact CD2-CB 4.49Å; L8-L40 HydrophobicContact CD2-CD1 3.96Å; L8-L40 HydrophobicContact CD2-CD2 3.61Å; L8-L40 HydrophobicContact CD2-CG 3.34Å; L8-L49 HydrophobicContact CB-CD1 4.05Å; L8-L49 HydrophobicContact CB-CD2 4.1Å; L8-L49 HydrophobicContact CB-CG 4.27Å; L8-L49 HydrophobicContact CD2-CD2 4.46Å; L8-R50 PolarHBondContact N-O 2.7Å; L8-V51 HydrophobicContact CB-CG2 4.46Å; L8-V51 CarbonylContact O-C 3.57Å; L8-V51 WeakPolarHBondContact O-CA 3.48Å; L8-L52 PolarHBondContact O-N 3.43Å |
| 9 | I | 97.8 | Very high | 86.4 | Confident | 1 Ų | 1 | 59.2 Ų | 59.2 | 1% | 0.005 | 33% | 0.327 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.7 | 119.1 | 170.1 | -52 | 171.2 | 0 | 0 | 0 | 106.9 | D24 V25 L52 A54 V59 I403 I405 I441 | I9-D24 CarbonylContact O-C 3.6Å; I9-D24 WeakPolarHBondContact O-CA 3.47Å; I9-D24 WeakPolarHBondContact O-CB 3.28Å; I9-V25 HydrophobicContact CB-CB 4.18Å; I9-V25 HydrophobicContact CD1-CB 4.3Å; I9-V25 PolarHBondContact N-O 2.84Å; I9-V25 PolarHBondContact O-N 3.03Å; I9-L52 HydrophobicContact CG1-CD1 4.32Å; I9-A54 HydrophobicContact CG2-CB 3.62Å; I9-V59 HydrophobicContact CD1-CG1 4.06Å; I9-V59 HydrophobicContact CG2-CG1 4.17Å; I9-V59 HydrophobicContact CG2-CG2 3.81Å; I9-I403 HydrophobicContact CD1-CB 4.26Å; I9-I403 HydrophobicContact CD1-CD1 3.94Å; I9-I403 HydrophobicContact CD1-CG2 3.62Å; I9-I405 HydrophobicContact CG2-CD1 3.91Å; I9-I405 HydrophobicContact CG2-CG1 4.17Å; I9-I441 HydrophobicContact CD1-CD1 3.54Å; I9-I441 HydrophobicContact CG1-CD1 4.04Å |
| 10 | R | 96.1 | Very high | 87 | Confident | 110 Ų | 110 | 58 Ų | 58 | 42% | 0.415 | 32% | 0.323 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.2 | 137.3 | -169.5 | -169.5 | -173.1 | -178.7 | -176.9 | -1.5 | 112.6 | G12 D24 V51 L52 A54 | R10-G12 PolarHBondContact O-N 3.11Å; R10-D24 VanDerWaalsContact CA-OD1 3.28Å; R10-D24 WeakPolarHBondContact CA-OD1 3.3Å; R10-D24 WeakPolarHBondContact CG-OD1 3.45Å; R10-V51 HydrophobicContact CB-CG1 4.17Å; R10-L52 PolarHBondContact N-O 3.09Å; R10-A54 WeakPolarHBondContact O-CA 3.06Å; R10-A54 PolarHBondContact O-N 3.43Å |
| 11 | G | 94.8 | Very high | 87.5 | Confident | 31 Ų | 31 | 58.8 Ų | 58.8 | 32% | 0.32 | 32% | 0.324 | S | S | . | . | S | Bend | trans | 73.7 | 7.1 | 165.4 | 0 | 0 | 0 | 0 | 0 | 115.7 | D24 | G11-D24 PolarHBondContact N-OD1 3.27Š|
| 12 | G | 97.7 | Very high | 90.4 | Very high | 0 Ų | 0 | 50.5 Ų | 50.5 | 0% | 0 | 29% | 0.287 | C | S | . | . | trans | -80.8 | 163.3 | 177.9 | 0 | 0 | 0 | 0 | 0 | 113.4 | R10 V22 A23 A54 | R10-G12 PolarHBondContact O-N 3.11Å; G12-V22 WeakPolarHBondContact O-CA 3.26Å; G12-A23 PolarHBondContact O-N 2.85Å; G12-A54 WeakPolarHBondContact CA-O 3.46Å | ||
| 13 | R | 98.7 | Very high | 92.7 | Very high | 120 Ų | 120 | 45.8 Ų | 45.8 | 45% | 0.453 | 25% | 0.248 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.3 | 107.1 | 166.3 | -178.3 | -179.4 | -65.5 | -152.8 | -2.4 | 108.7 | V15 E21 K57 L58 V59 E371 | R13-V15 HydrophobicContact CG-CG2 4.17Å; R13-V15 PolarHBondContact O-N 3.31Å; R13-E21 CarbonylContact C-O 3.54Å; R13-E21 WeakPolarHBondContact CA-O 3.25Å; R13-K57 PolarHBondContact N-O 3.02Å; R13-L58 HydrophobicContact CB-CD2 3.98Å; R13-L58 HydrophobicContact CG-CD2 4.27Å; R13-L58 CarbonylContact O-C 3.59Å; R13-L58 WeakPolarHBondContact O-CA 3.37Å; R13-V59 PolarHBondContact O-N 2.92Å; R13-E371 IonicContact NH1-OE1 3.93Å |
| 14 | V | 98.9 | Very high | 94.9 | Very high | 2 Ų | 2 | 41.9 Ų | 41.9 | 1% | 0.012 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -70.4 | 126 | 171.2 | 176.3 | 0 | 0 | 0 | 0 | 108.4 | S20 E21 A23 V25 L35 V59 I395 | V14-S20 CarbonylContact O-C 3.56Å; V14-S20 VanDerWaalsContact O-CA 3.27Å; V14-S20 WeakPolarHBondContact O-CA 3.35Å; V14-E21 PolarHBondContact N-O 3.44Å; V14-E21 PolarHBondContact O-N 3.47Å; V14-A23 HydrophobicContact CG2-CB 4.23Å; V14-V25 HydrophobicContact CG2-CG2 3.67Å; V14-L35 HydrophobicContact CB-CD1 4.49Å; V14-L35 HydrophobicContact CG1-CD1 4.36Å; V14-L35 HydrophobicContact CG2-CD1 3.89Å; V14-V59 WeakPolarHBondContact CA-O 3.41Å; V14-V59 HydrophobicContact CG2-CB 4.11Å; V14-V59 HydrophobicContact CG2-CG1 4.47Å; V14-I395 HydrophobicContact CG1-CB 3.85Å; V14-I395 HydrophobicContact CG1-CD1 3.94Å; V14-I395 HydrophobicContact CG1-CG2 3.79Å |
| 15 | V | 98.9 | Very high | 96.6 | Very high | 0 Ų | 0 | 38 Ų | 38 | 0% | 0 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121 | 115.8 | -179.3 | -178.1 | 0 | 0 | 0 | 0 | 107.8 | R13 L58 V59 L60 P61 E371 V375 | R13-V15 HydrophobicContact CG-CG2 4.17Å; R13-V15 PolarHBondContact O-N 3.31Å; V15-L58 HydrophobicContact CG2-CB 4.2Å; V15-L58 HydrophobicContact CG2-CD1 4.42Å; V15-L58 HydrophobicContact CG2-CD2 4.05Å; V15-L58 HydrophobicContact CG2-CG 4.45Å; V15-V59 PolarHBondContact N-O 3.35Å; V15-L60 HydrophobicContact CB-CD2 3.5Å; V15-L60 HydrophobicContact CG1-CD2 4.14Å; V15-L60 HydrophobicContact CG2-CD2 3.8Å; V15-P61 VanDerWaalsContact O-CD 3.28Å; V15-P61 WeakPolarHBondContact O-CD 3.47Å; V15-E371 HydrophobicContact CB-CG 4.44Å; V15-E371 HydrophobicContact CG1-CB 3.94Å; V15-E371 HydrophobicContact CG1-CG 3.53Å; V15-E371 HydrophobicContact CG2-CG 4.01Å; V15-V375 HydrophobicContact CB-CG2 4.34Å; V15-V375 HydrophobicContact CG1-CG2 3.83Å |
| 16 | N | 98.9 | Very high | 97.4 | Very high | 4 Ų | 4 | 37.4 Ų | 37.4 | 2% | 0.021 | 18% | 0.183 | C | C | . | . | trans | -105.4 | -179.4 | 167.5 | -76.3 | -51.3 | 0 | 0 | 0 | 109.8 | D18 F19 N372 R394 I395 | N16-D18 WeakPolarHBondContact CB-OD1 3.23Å; N16-D18 PolarHBondContact O-N 2.93Å; N16-F19 PolarHBondContact N-O 3.12Å; N16-N372 WeakPolarHBondContact O-CA 3.39Å; N16-N372 PolarHBondContact O-ND2 3.35Å; N16-R394 WeakPolarHBondContact OD1-CA 3.46Å; N16-R394 WeakPolarHBondContact OD1-CG 3.31Å; N16-I395 PolarHBondContact ND2-O 3.18Å; N16-I395 PolarHBondContact OD1-N 3.11Å | ||
| 17 | D | 98.8 | Very high | 97.7 | Very high | 34 Ų | 34 | 33.6 Ų | 33.6 | 18% | 0.182 | 17% | 0.169 | C | C | . | . | S | Bend | trans | -67.3 | -20.9 | 178.5 | 63.1 | -50.9 | 0 | 0 | 0 | 114.1 | N372 A376 T380 K384 R394 | D17-N372 WeakPolarHBondContact CA-O 3.42Å; D17-A376 HydrophobicContact CB-CB 3.89Å; D17-T380 HydrophobicContact CB-CG2 4.09Å; D17-T380 WeakPolarHBondContact OD2-CG2 3.01Å; D17-K384 IonicContact OD2-NZ 3.4Å; D17-K384 PolarHBondContact OD2-NZ 3.1Å; D17-R394 IonicContact OD1-NH1 3.02Å; D17-R394 PolarHBondContact OD1-NH1 3.39Å |
| 18 | D | 98.5 | Very high | 97.7 | Very high | 87 Ų | 87 | 35.5 Ų | 35.5 | 47% | 0.465 | 18% | 0.177 | S | C | . | . | S | Bend | trans | -101.9 | -39.7 | -173.2 | 54.9 | -29.3 | 0 | 0 | 0 | 114.2 | N16 R394 | N16-D18 WeakPolarHBondContact CB-OD1 3.23Å; N16-D18 PolarHBondContact O-N 2.93Å; D18-R394 VanDerWaalsContact CG-NH1 3.33Å; D18-R394 IonicContact OD1-CZ 3.03Å; D18-R394 IonicContact OD1-NH1 3.8Å; D18-R394 PolarHBondContact OD1-NH1 3.07Å; D18-R394 IonicContact OD1-NH2 3.65Å; D18-R394 PolarHBondContact OD1-NH2 3.16Å; D18-R394 IonicContact OD2-CZ 3.26Å; D18-R394 IonicContact OD2-NH1 3.87Å; D18-R394 PolarHBondContact OD2-NH1 2.86Å; D18-R394 IonicContact OD2-NH2 3.17Å; D18-R394 PolarHBondContact OD2-NH2 3.45Å |
| 19 | F | 97.9 | Very high | 97.5 | Very high | 91 Ų | 91 | 40.3 Ų | 40.3 | 40% | 0.399 | 20% | 0.203 | S | C | . | . | trans | -158.3 | 170 | 176 | 72 | -81.7 | 0 | 0 | 0 | 112.6 | N16 E21 N372 | N16-F19 PolarHBondContact N-O 3.12Å; F19-E21 HydrophobicContact CD2-CB 4.27Å; F19-E21 HydrophobicContact CE2-CB 3.97Å; F19-E21 HydrophobicContact CE2-CG 3.83Å; F19-N372 PolarHBondContact O-ND2 3.06Å | ||
| 20 | S | 98.6 | Very high | 97.4 | Very high | 35 Ų | 35 | 40.9 Ų | 40.9 | 25% | 0.245 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.9 | 135.6 | 177.3 | -58.7 | 0 | 0 | 0 | 0 | 111 | V14 N372 | V14-S20 CarbonylContact O-C 3.56Å; V14-S20 VanDerWaalsContact O-CA 3.27Å; V14-S20 WeakPolarHBondContact O-CA 3.35Å; S20-N372 PolarHBondContact OG-ND2 3.29Å; S20-N372 PolarHBondContact OG-OD1 2.8Å |
| 21 | E | 98.1 | Very high | 97.5 | Very high | 74 Ų | 74 | 37.1 Ų | 37.1 | 35% | 0.346 | 20% | 0.198 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.3 | 154.4 | 177.1 | 68.1 | 178.3 | 148.6 | 0 | 0 | 112.7 | R13 V14 F19 A23 | R13-E21 CarbonylContact C-O 3.54Å; R13-E21 WeakPolarHBondContact CA-O 3.25Å; V14-E21 PolarHBondContact N-O 3.44Å; V14-E21 PolarHBondContact O-N 3.47Å; F19-E21 HydrophobicContact CD2-CB 4.27Å; F19-E21 HydrophobicContact CE2-CB 3.97Å; F19-E21 HydrophobicContact CE2-CG 3.83Å; E21-A23 HydrophobicContact CG-CB 4.25Å |
| 22 | V | 98.2 | Very high | 97.7 | Very high | 69 Ų | 69 | 35.7 Ų | 35.7 | 42% | 0.418 | 18% | 0.183 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -85 | 115 | 170.2 | 178.2 | 0 | 0 | 0 | 0 | 108.6 | G12 R37 | G12-V22 WeakPolarHBondContact O-CA 3.26Å; V22-R37 PolarHBondContact O-NE 3.43Å |
| 23 | A | 97.8 | Very high | 97.6 | Very high | 2 Ų | 2 | 41.6 Ų | 41.6 | 2% | 0.017 | 21% | 0.205 | C | C | . | . | trans | -153.8 | 150 | -178.5 | 0 | 0 | 0 | 0 | 0 | 110.8 | G12 V14 E21 L35 | G12-A23 PolarHBondContact O-N 2.85Å; V14-A23 HydrophobicContact CG2-CB 4.23Å; E21-A23 HydrophobicContact CG-CB 4.25Å; A23-L35 HydrophobicContact CB-CD1 3.72Å; A23-L35 HydrophobicContact CB-CG 4.18Å | ||
| 24 | D | 97.8 | Very high | 97.5 | Very high | 7 Ų | 7 | 37.1 Ų | 37.1 | 4% | 0.037 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.4 | 149.7 | 165 | -57.6 | -22 | 0 | 0 | 0 | 109.7 | L8 I9 R10 G11 L35 G36 D38 L39 | L8-D24 HydrophobicContact CD1-CB 4.1Å; I9-D24 CarbonylContact O-C 3.6Å; I9-D24 WeakPolarHBondContact O-CA 3.47Å; I9-D24 WeakPolarHBondContact O-CB 3.28Å; R10-D24 VanDerWaalsContact CA-OD1 3.28Å; R10-D24 WeakPolarHBondContact CA-OD1 3.3Å; R10-D24 WeakPolarHBondContact CG-OD1 3.45Å; G11-D24 PolarHBondContact N-OD1 3.27Å; D24-L35 WeakPolarHBondContact O-CA 3.5Å; D24-G36 WeakPolarHBondContact CA-O 3.36Å; D24-G36 WeakPolarHBondContact CB-O 3.5Å; D24-G36 PolarHBondContact N-O 3.12Å; D24-G36 PolarHBondContact O-N 3.31Å; D24-G36 VanDerWaalsContact O-N 3.16Å; D24-D38 WeakPolarHBondContact OD2-CA 3.37Å; D24-D38 PolarHBondContact OD2-N 3.16Å; D24-L39 HydrophobicContact CB-CB 4.02Å; D24-L39 HydrophobicContact CB-CD1 3.91Å; D24-L39 HydrophobicContact CB-CG 3.93Å; D24-L39 WeakPolarHBondContact O-CD1 3.42Å; D24-L39 PolarHBondContact OD2-N 3.49Å |
| 25 | V | 98.2 | Very high | 97.4 | Very high | 0 Ų | 0 | 39.5 Ų | 39.5 | 0% | 0 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.5 | 111 | 178.1 | -169 | 0 | 0 | 0 | 0 | 109.3 | L8 I9 V14 V27 V32 L35 V59 I395 I403 | L8-V25 WeakPolarHBondContact CA-O 3.49Å; I9-V25 HydrophobicContact CB-CB 4.18Å; I9-V25 HydrophobicContact CD1-CB 4.3Å; I9-V25 PolarHBondContact N-O 2.84Å; I9-V25 PolarHBondContact O-N 3.03Å; V14-V25 HydrophobicContact CG2-CG2 3.67Å; V25-V27 HydrophobicContact CG1-CG2 4.3Å; V25-V32 HydrophobicContact CG1-CG1 3.77Å; V25-V32 HydrophobicContact CG1-CG2 4.05Å; V25-L35 HydrophobicContact CG2-CD1 3.84Å; V25-V59 HydrophobicContact CG2-CG1 4.27Å; V25-I395 HydrophobicContact CG1-CG2 4.11Å; V25-I395 HydrophobicContact CG2-CG2 4.03Å; V25-I403 HydrophobicContact CG1-CD1 3.98Å |
| 26 | L | 97.2 | Very high | 97.3 | Very high | 30 Ų | 30 | 40.5 Ų | 40.5 | 16% | 0.157 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.6 | 124.6 | 172.6 | 179.7 | 66.5 | 0 | 0 | 0 | 109.6 | L8 E28 R33 A34 L39 L49 | L8-L26 HydrophobicContact CD1-CB 4.09Å; L8-L26 HydrophobicContact CD1-CD1 4.31Å; L26-E28 HydrophobicContact CD1-CG 4.37Å; L26-E28 HydrophobicContact CD2-CG 4.49Å; L26-E28 HydrophobicContact CG-CG 4.19Å; L26-R33 HydrophobicContact CD2-CB 4.44Å; L26-R33 HydrophobicContact CG-CB 4.48Å; L26-R33 PolarHBondContact O-N 3.06Å; L26-A34 HydrophobicContact CB-CB 4.03Å; L26-A34 HydrophobicContact CD2-CB 4.3Å; L26-A34 PolarHBondContact N-O 3.33Å; L26-A34 PolarHBondContact O-N 2.9Å; L26-L39 HydrophobicContact CB-CD1 4.12Å; L26-L49 HydrophobicContact CD1-CD1 4.09Å |
| 27 | V | 96.9 | Very high | 97 | Very high | 0 Ų | 0 | 49.1 Ų | 49.1 | 0% | 0 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.3 | 128.9 | 177.3 | 172.1 | 0 | 0 | 0 | 0 | 109.1 | R6 L7 V25 V31 V32 A401 I403 | R6-V27 WeakPolarHBondContact CA-O 3.38Å; L7-V27 HydrophobicContact CB-CB 4.17Å; L7-V27 PolarHBondContact N-O 3.46Å; L7-V27 PolarHBondContact O-N 3.33Å; V25-V27 HydrophobicContact CG1-CG2 4.3Å; V27-V31 WeakPolarHBondContact CA-O 3.36Å; V27-V32 HydrophobicContact CG2-CG2 4.45Å; V27-A401 HydrophobicContact CB-CB 4.14Å; V27-A401 HydrophobicContact CG1-CB 3.31Å; V27-A401 HydrophobicContact CG2-CB 3.69Å; V27-I403 HydrophobicContact CG2-CD1 4.12Å |
| 28 | E | 95.1 | Very high | 96.6 | Very high | 47 Ų | 47 | 53.2 Ų | 53.2 | 22% | 0.22 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.8 | 131.5 | 172.5 | -48.6 | -176.7 | 138.3 | 0 | 0 | 109.6 | R6 L26 G30 V31 R33 | R6-E28 HydrophobicContact CG-CG 4.23Å; R6-E28 IonicContact CZ-OE1 3.67Å; R6-E28 IonicContact NE-OE1 3.94Å; R6-E28 PolarHBondContact NE-OE1 3.05Å; R6-E28 IonicContact NH2-OE1 2.87Å; R6-E28 PolarHBondContact NH2-OE1 3.39Å; L26-E28 HydrophobicContact CD1-CG 4.37Å; L26-E28 HydrophobicContact CD2-CG 4.49Å; L26-E28 HydrophobicContact CG-CG 4.19Å; E28-G30 PolarHBondContact O-N 3.01Å; E28-V31 PolarHBondContact N-O 3.11Å; E28-V31 PolarHBondContact O-N 2.98Å; E28-R33 HydrophobicContact CB-CG 3.62Å; E28-R33 HydrophobicContact CG-CB 4.37Å; E28-R33 HydrophobicContact CG-CG 3.79Å; E28-R33 PolarHBondContact O-NE 3.34Å |
| 29 | D | 93 | Very high | 96.2 | Very high | 103 Ų | 103 | 51.8 Ų | 51.8 | 55% | 0.551 | 26% | 0.263 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 54.8 | 39.2 | 178 | -55.7 | -41.8 | 0 | 0 | 0 | 113.5 | P4 S5 V31 | P4-D29 WeakPolarHBondContact CB-OD1 2.96Å; S5-D29 PolarHBondContact O-N 3Å; D29-V31 VanDerWaalsContact C-N 3.33Å; D29-V31 PolarHBondContact O-N 3.18Å |
| 30 | G | 95.6 | Very high | 95.5 | Very high | 12 Ų | 12 | 48.9 Ų | 48.9 | 12% | 0.124 | 25% | 0.252 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 80.5 | 9.2 | 176.3 | 0 | 0 | 0 | 0 | 0 | 115.4 | E28 A401 R443 | E28-G30 PolarHBondContact O-N 3.01Å; G30-A401 WeakPolarHBondContact O-CB 3.48Å; G30-A401 PolarHBondContact O-N 3.45Å; G30-R443 VanDerWaalsContact CA-O 3.25Å; G30-R443 WeakPolarHBondContact CA-O 3.45Å |
| 31 | V | 98.1 | Very high | 94 | Very high | 32 Ų | 32 | 50.3 Ų | 50.3 | 19% | 0.194 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.2 | 143.3 | -177.1 | 179.8 | 0 | 0 | 0 | 0 | 110.1 | V27 E28 D29 R33 S399 | V27-V31 WeakPolarHBondContact CA-O 3.36Å; E28-V31 PolarHBondContact N-O 3.11Å; E28-V31 PolarHBondContact O-N 2.98Å; D29-V31 VanDerWaalsContact C-N 3.33Å; D29-V31 PolarHBondContact O-N 3.18Å; V31-R33 PolarHBondContact O-N 3.21Å; V31-S399 WeakPolarHBondContact CA-O 3.45Å; V31-S399 WeakPolarHBondContact CG1-O 3.37Å |
| 32 | V | 98.3 | Very high | 92.1 | Very high | 1 Ų | 1 | 53.6 Ų | 53.6 | 1% | 0.006 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.2 | 115.7 | 169.9 | 177.1 | 0 | 0 | 0 | 0 | 109.1 | V25 V27 A396 V397 G398 S399 A401 I403 | V25-V32 HydrophobicContact CG1-CG1 3.77Å; V25-V32 HydrophobicContact CG1-CG2 4.05Å; V27-V32 HydrophobicContact CG2-CG2 4.45Å; V32-A396 VanDerWaalsContact CB-O 3.31Å; V32-A396 WeakPolarHBondContact CB-O 3.38Å; V32-V397 WeakPolarHBondContact O-CA 3.38Å; V32-G398 PolarHBondContact O-N 3.24Å; V32-S399 PolarHBondContact N-O 3.45Å; V32-A401 HydrophobicContact CG2-CB 4.42Å; V32-I403 HydrophobicContact CG2-CD1 4Å |
| 33 | R | 97.2 | Very high | 90.6 | Very high | 123 Ų | 123 | 54.7 Ų | 54.7 | 46% | 0.464 | 31% | 0.313 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.8 | -34.9 | -176.9 | -66.6 | -53.6 | -174.2 | 165.2 | 2.6 | 113.9 | L26 E28 V31 | L26-R33 HydrophobicContact CD2-CB 4.44Å; L26-R33 HydrophobicContact CG-CB 4.48Å; L26-R33 PolarHBondContact O-N 3.06Å; E28-R33 HydrophobicContact CB-CG 3.62Å; E28-R33 HydrophobicContact CG-CB 4.37Å; E28-R33 HydrophobicContact CG-CG 3.79Å; E28-R33 PolarHBondContact O-NE 3.34Å; V31-R33 PolarHBondContact O-N 3.21Å |
| 34 | A | 96.6 | Very high | 89.3 | Confident | 27 Ų | 27 | 56.7 Ų | 56.7 | 22% | 0.223 | 33% | 0.334 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -146 | 147.5 | 176.8 | 0 | 0 | 0 | 0 | 0 | 110.5 | L26 L39 | L26-A34 HydrophobicContact CB-CB 4.03Å; L26-A34 HydrophobicContact CD2-CB 4.3Å; L26-A34 PolarHBondContact N-O 3.33Å; L26-A34 PolarHBondContact O-N 2.9Å; A34-L39 HydrophobicContact CB-CD1 3.91Å; A34-L39 HydrophobicContact CB-CD2 4.34Å |
| 35 | L | 97 | Very high | 88.3 | Confident | 51 Ų | 51 | 58.8 Ų | 58.8 | 27% | 0.267 | 35% | 0.353 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.9 | 125.5 | 174.7 | -180 | 71 | 0 | 0 | 0 | 106.5 | V14 A23 D24 V25 I395 | V14-L35 HydrophobicContact CB-CD1 4.49Å; V14-L35 HydrophobicContact CG1-CD1 4.36Å; V14-L35 HydrophobicContact CG2-CD1 3.89Å; A23-L35 HydrophobicContact CB-CD1 3.72Å; A23-L35 HydrophobicContact CB-CG 4.18Å; D24-L35 WeakPolarHBondContact O-CA 3.5Å; V25-L35 HydrophobicContact CG2-CD1 3.84Å; L35-I395 HydrophobicContact CD1-CG2 4.3Å |
| 36 | G | 95.4 | Very high | 87.4 | Confident | 22 Ų | 22 | 61.1 Ų | 61.1 | 23% | 0.227 | 37% | 0.368 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 168.1 | 177.6 | -177.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | D24 | D24-G36 WeakPolarHBondContact CA-O 3.36Å; D24-G36 WeakPolarHBondContact CB-O 3.5Å; D24-G36 PolarHBondContact N-O 3.12Å; D24-G36 PolarHBondContact O-N 3.31Å; D24-G36 VanDerWaalsContact O-N 3.16Å |
| 37 | R | 93.5 | Very high | 86.5 | Confident | 185 Ų | 185 | 67 Ų | 67 | 70% | 0.698 | 40% | 0.404 | S | S | * | . | S | Bend | trans | -85.4 | 146.5 | 177.5 | -65.1 | -176.5 | 179.4 | 178.6 | 2.8 | 111 | V22 L39 | V22-R37 PolarHBondContact O-NE 3.43Å; R37-L39 VanDerWaalsContact C-N 3.35Å; R37-L39 PolarHBondContact O-N 3.36Å |
| 38 | D | 89.2 | Confident | 85.8 | Confident | 120 Ų | 120 | 69.9 Ų | 69.9 | 64% | 0.642 | 44% | 0.435 | S | S | * | . | trans | 53.8 | 48.6 | 170.6 | -57 | -57.7 | 0 | 0 | 0 | 112.7 | D24 L40 | D24-D38 WeakPolarHBondContact OD2-CA 3.37Å; D24-D38 PolarHBondContact OD2-N 3.16Å; D38-L40 PolarHBondContact O-N 3.42Å | ||
| 39 | L | 90.9 | Very high | 85.5 | Confident | 56 Ų | 56 | 68.7 Ų | 68.7 | 29% | 0.293 | 43% | 0.429 | S | S | . | . | trans | -72.3 | -8 | -178.2 | -67.7 | -177.1 | 0 | 0 | 0 | 113.4 | L8 D24 L26 A34 R37 | L8-L39 HydrophobicContact CD1-CB 3.98Å; L8-L39 HydrophobicContact CD1-CD1 4.4Å; D24-L39 HydrophobicContact CB-CB 4.02Å; D24-L39 HydrophobicContact CB-CD1 3.91Å; D24-L39 HydrophobicContact CB-CG 3.93Å; D24-L39 WeakPolarHBondContact O-CD1 3.42Å; D24-L39 PolarHBondContact OD2-N 3.49Å; L26-L39 HydrophobicContact CB-CD1 4.12Å; A34-L39 HydrophobicContact CB-CD1 3.91Å; A34-L39 HydrophobicContact CB-CD2 4.34Å; R37-L39 VanDerWaalsContact C-N 3.35Å; R37-L39 PolarHBondContact O-N 3.36Å | ||
| 40 | L | 82.9 | Confident | 85.5 | Confident | 31 Ų | 31 | 68.3 Ų | 68.3 | 16% | 0.162 | 42% | 0.42 | C | S | . | . | S | Bend | trans | -73.1 | 128 | 168.5 | -81.3 | 166 | 0 | 0 | 0 | 110.2 | L8 D38 A45 L49 V51 | L8-L40 HydrophobicContact CD2-CB 4.49Å; L8-L40 HydrophobicContact CD2-CD1 3.96Å; L8-L40 HydrophobicContact CD2-CD2 3.61Å; L8-L40 HydrophobicContact CD2-CG 3.34Å; D38-L40 PolarHBondContact O-N 3.42Å; L40-A45 HydrophobicContact CD2-CB 4.02Å; L40-L49 HydrophobicContact CD2-CD2 3.94Å; L40-V51 HydrophobicContact CD2-CG2 4.26Å |
| 41 | P | 66.5 | Low | 85.5 | Confident | 65 Ų | 65 | 70.4 Ų | 70.4 | 42% | 0.422 | 43% | 0.431 | S | S | . | . | P | Polyproline II helix | trans | -62.5 | 148.9 | 171.6 | 14.6 | -15.7 | 0 | 0 | 0 | 111.2 | G43 G44 P46 | P41-G43 PolarHBondContact O-N 3.38Å; P41-G44 PolarHBondContact O-N 3.49Å; P41-P46 HydrophobicContact CG-CG 4.31Å |
| 42 | P | 59.2 | Low | 85.4 | Confident | 142 Ų | 142 | 69.3 Ų | 69.3 | 92% | 0.922 | 42% | 0.424 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.8 | 124.5 | 169.3 | -20.4 | 30.8 | 0 | 0 | 0 | 110 | ||
| 43 | G | 67.4 | Low | 85.2 | Confident | 92 Ų | 92 | 75.2 Ų | 75.2 | 95% | 0.948 | 46% | 0.455 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 115.5 | -2.8 | -178.4 | 0 | 0 | 0 | 0 | 0 | 116 | P41 | P41-G43 PolarHBondContact O-N 3.38Š|
| 44 | G | 70 | Confident | 85.3 | Confident | 44 Ų | 44 | 69.3 Ų | 69.3 | 45% | 0.454 | 43% | 0.433 | S | S | . | . | S | Bend | trans | 106.9 | 176.8 | 172.9 | 0 | 0 | 0 | 0 | 0 | 114.1 | P41 | P41-G44 PolarHBondContact O-N 3.49Š|
| 45 | A | 76.6 | Confident | 85.2 | Confident | 52 Ų | 52 | 70.4 Ų | 70.4 | 43% | 0.43 | 44% | 0.442 | S | S | . | . | P | Polyproline II helix | trans | -68.6 | 129.9 | -178.5 | 0 | 0 | 0 | 0 | 0 | 110.9 | L40 L49 V51 | L40-A45 HydrophobicContact CD2-CB 4.02Å; A45-L49 HydrophobicContact CB-CD2 4.28Å; A45-V51 HydrophobicContact CB-CG2 3.84Å |
| 46 | P | 79.2 | Confident | 85.2 | Confident | 49 Ų | 49 | 71.3 Ų | 71.3 | 32% | 0.318 | 46% | 0.463 | S | S | . | . | P | Polyproline II helix | trans | -54.8 | 149.2 | 170.9 | -24.3 | 33.1 | 0 | 0 | 0 | 111.8 | P41 G48 L49 | P41-P46 HydrophobicContact CG-CG 4.31Å; P46-G48 PolarHBondContact O-N 2.96Å; P46-L49 WeakPolarHBondContact O-CB 3.41Å; P46-L49 PolarHBondContact O-N 2.74Å |
| 47 | V | 78.3 | Confident | 85.4 | Confident | 152 Ų | 152 | 72.8 Ų | 72.8 | 92% | 0.921 | 46% | 0.463 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.1 | 128.4 | 174.4 | 178.7 | 0 | 0 | 0 | 0 | 109.7 | ||
| 48 | G | 81.4 | Confident | 85.6 | Confident | 62 Ų | 62 | 64.7 Ų | 64.7 | 64% | 0.639 | 43% | 0.434 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 87.5 | -2.2 | -179.1 | 0 | 0 | 0 | 0 | 0 | 115.6 | P46 | P46-G48 PolarHBondContact O-N 2.96Š|
| 49 | L | 89.6 | Confident | 86.1 | Confident | 21 Ų | 21 | 59 Ų | 59 | 11% | 0.11 | 40% | 0.403 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.3 | 115.7 | 169.3 | -178.1 | 67.6 | 0 | 0 | 0 | 110 | R6 L8 L26 L40 A45 P46 V51 | R6-L49 HydrophobicContact CB-CD1 3.78Å; L8-L49 HydrophobicContact CB-CD1 4.05Å; L8-L49 HydrophobicContact CB-CD2 4.1Å; L8-L49 HydrophobicContact CB-CG 4.27Å; L8-L49 HydrophobicContact CD2-CD2 4.46Å; L26-L49 HydrophobicContact CD1-CD1 4.09Å; L40-L49 HydrophobicContact CD2-CD2 3.94Å; A45-L49 HydrophobicContact CB-CD2 4.28Å; P46-L49 WeakPolarHBondContact O-CB 3.41Å; P46-L49 PolarHBondContact O-N 2.74Å; L49-V51 HydrophobicContact CD2-CG2 4.34Å; L49-V51 HydrophobicContact CG-CG2 4.37Å |
| 50 | R | 93.1 | Very high | 86.5 | Confident | 96 Ų | 96 | 56.3 Ų | 56.3 | 36% | 0.362 | 39% | 0.389 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.3 | 123.9 | 169.4 | 176.2 | 178.2 | 176.2 | 177 | -0.6 | 109.3 | R6 L7 L8 L52 E449 | R6-R50 PolarHBondContact O-N 3.39Å; R6-R50 VanDerWaalsContact O-N 3.07Å; L7-R50 CarbonylContact C-O 3.52Å; L7-R50 WeakPolarHBondContact CA-O 3.4Å; L7-R50 HydrophobicContact CD2-CB 3.74Å; L7-R50 HydrophobicContact CD2-CG 4.11Å; L8-R50 PolarHBondContact N-O 2.7Å; R50-L52 HydrophobicContact CG-CD2 4.43Å; R50-E449 IonicContact CZ-OE2 2.83Å; R50-E449 IonicContact NH2-OE1 2.77Å; R50-E449 PolarHBondContact NH2-OE1 3.17Å; R50-E449 IonicContact NH2-OE2 2.68Å; R50-E449 PolarHBondContact NH2-OE2 2.94Å |
| 51 | V | 94.3 | Very high | 87.2 | Confident | 56 Ų | 56 | 55 Ų | 55 | 34% | 0.339 | 38% | 0.383 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.7 | 128.6 | 176.6 | -175.8 | 0 | 0 | 0 | 0 | 109.3 | L8 R10 L40 A45 L49 | L8-V51 HydrophobicContact CB-CG2 4.46Å; L8-V51 CarbonylContact O-C 3.57Å; L8-V51 WeakPolarHBondContact O-CA 3.48Å; R10-V51 HydrophobicContact CB-CG1 4.17Å; L40-V51 HydrophobicContact CD2-CG2 4.26Å; A45-V51 HydrophobicContact CB-CG2 3.84Å; L49-V51 HydrophobicContact CD2-CG2 4.34Å; L49-V51 HydrophobicContact CG-CG2 4.37Å |
| 52 | L | 96 | Very high | 88.8 | Confident | 9 Ų | 9 | 52 Ų | 52 | 5% | 0.047 | 36% | 0.363 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.2 | 120 | 173.6 | -60.1 | 173.7 | 0 | 0 | 0 | 108.2 | L8 I9 R10 R50 A54 I405 V439 I441 V446 | L8-L52 PolarHBondContact O-N 3.43Å; I9-L52 HydrophobicContact CG1-CD1 4.32Å; R10-L52 PolarHBondContact N-O 3.09Å; R50-L52 HydrophobicContact CG-CD2 4.43Å; L52-A54 PolarHBondContact O-N 2.97Å; L52-I405 HydrophobicContact CB-CD1 3.85Å; L52-I405 HydrophobicContact CD1-CD1 4.1Å; L52-V439 HydrophobicContact CD1-CG1 4.32Å; L52-I441 HydrophobicContact CD1-CD1 3.7Å; L52-I441 HydrophobicContact CD1-CG1 4.39Å; L52-V446 HydrophobicContact CD1-CG2 3.75Å; L52-V446 HydrophobicContact CD2-CG2 4.26Å |
| 53 | D | 95.7 | Very high | 90.7 | Very high | 124 Ų | 124 | 45.2 Ų | 45.2 | 66% | 0.663 | 32% | 0.32 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -79.4 | 116.4 | 176.1 | -173.7 | 4 | 0 | 0 | 0 | 110.1 | A55 | D53-A55 WeakPolarHBondContact OD1-CB 3.26Å; D53-A55 PolarHBondContact OD1-N 3.39Å |
| 54 | A | 97.7 | Very high | 92.2 | Very high | 0 Ų | 0 | 41 Ų | 41 | 0% | 0 | 28% | 0.275 | C | S | . | . | trans | -111.9 | 16.5 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112 | I9 R10 G12 L52 G56 K57 V59 I405 | I9-A54 HydrophobicContact CG2-CB 3.62Å; R10-A54 WeakPolarHBondContact O-CA 3.06Å; R10-A54 PolarHBondContact O-N 3.43Å; G12-A54 WeakPolarHBondContact CA-O 3.46Å; L52-A54 PolarHBondContact O-N 2.97Å; A54-G56 PolarHBondContact O-N 3.3Å; A54-K57 HydrophobicContact CB-CB 4.44Å; A54-K57 WeakPolarHBondContact O-CA 3.25Å; A54-K57 VanDerWaalsContact O-CB 3.27Å; A54-K57 WeakPolarHBondContact O-CB 3.48Å; A54-K57 PolarHBondContact O-N 3.12Å; A54-V59 HydrophobicContact CB-CG2 3.88Å; A54-I405 HydrophobicContact CB-CD1 4.32Å; A54-I405 HydrophobicContact CB-CG2 4.04Å | ||
| 55 | A | 96.3 | Very high | 93.5 | Very high | 50 Ų | 50 | 38.9 Ų | 38.9 | 41% | 0.413 | 25% | 0.253 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -53.9 | 126.6 | 179.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | D53 K57 | D53-A55 WeakPolarHBondContact OD1-CB 3.26Å; D53-A55 PolarHBondContact OD1-N 3.39Å; A55-K57 PolarHBondContact O-N 2.7Å; A55-K57 PolarHBondContact O-NZ 2.89Å |
| 56 | G | 96.4 | Very high | 94.6 | Very high | 69 Ų | 69 | 36.4 Ų | 36.4 | 71% | 0.711 | 23% | 0.233 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 67.2 | 11.8 | -177.1 | 0 | 0 | 0 | 0 | 0 | 114.8 | A54 | A54-G56 PolarHBondContact O-N 3.3Š|
| 57 | K | 98.5 | Very high | 95.5 | Very high | 53 Ų | 53 | 34.1 Ų | 34.1 | 23% | 0.23 | 22% | 0.218 | C | C | . | . | S | Bend | trans | -108.1 | 164.8 | 174.7 | -50.8 | -60.8 | 175.5 | -72.6 | 0 | 110.5 | R13 A54 A55 I405 W406 D407 L438 | R13-K57 PolarHBondContact N-O 3.02Å; A54-K57 HydrophobicContact CB-CB 4.44Å; A54-K57 WeakPolarHBondContact O-CA 3.25Å; A54-K57 VanDerWaalsContact O-CB 3.27Å; A54-K57 WeakPolarHBondContact O-CB 3.48Å; A54-K57 PolarHBondContact O-N 3.12Å; A55-K57 PolarHBondContact O-N 2.7Å; A55-K57 PolarHBondContact O-NZ 2.89Å; K57-I405 HydrophobicContact CB-CG2 3.81Å; K57-I405 HydrophobicContact CG-CG2 4.11Å; K57-W406 WeakPolarHBondContact CB-O 3.29Å; K57-D407 HydrophobicContact CD-CB 3.78Å; K57-D407 WeakPolarHBondContact CE-OD2 3.43Å; K57-L438 HydrophobicContact CD-CD1 3.78Å; K57-L438 HydrophobicContact CG-CD1 4.24Å |
| 58 | L | 98.9 | Very high | 96.5 | Very high | 15 Ų | 15 | 26.9 Ų | 26.9 | 8% | 0.079 | 17% | 0.174 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.7 | 146.9 | 170 | -49.7 | -177.9 | 0 | 0 | 0 | 109.5 | R13 V15 L60 W360 E371 I405 W406 P408 | R13-L58 HydrophobicContact CB-CD2 3.98Å; R13-L58 HydrophobicContact CG-CD2 4.27Å; R13-L58 CarbonylContact O-C 3.59Å; R13-L58 WeakPolarHBondContact O-CA 3.37Å; V15-L58 HydrophobicContact CG2-CB 4.2Å; V15-L58 HydrophobicContact CG2-CD1 4.42Å; V15-L58 HydrophobicContact CG2-CD2 4.05Å; V15-L58 HydrophobicContact CG2-CG 4.45Å; L58-L60 HydrophobicContact CB-CD2 3.73Å; L58-L60 HydrophobicContact CB-CG 4.21Å; L58-L60 HydrophobicContact CD1-CD2 4.38Å; L58-W360 HydrophobicContact CD1-CH2 3.43Å; L58-W360 VanDerWaalsContact CD1-CH2 3.43Å; L58-W360 HydrophobicContact CD1-CZ2 4.4Å; L58-W360 HydrophobicContact CD1-CZ3 3.92Å; L58-E371 HydrophobicContact CD1-CB 4.29Å; L58-I405 CarbonylContact O-C 3.54Å; L58-I405 WeakPolarHBondContact O-CA 3.26Å; L58-W406 HydrophobicContact CB-CB 4.25Å; L58-W406 PolarHBondContact N-O 3.3Å; L58-W406 PolarHBondContact O-N 2.98Å; L58-P408 HydrophobicContact CD1-CB 4.32Å; L58-P408 HydrophobicContact CD1-CG 4.41Å; L58-P408 HydrophobicContact CG-CG 4.22Å |
| 59 | V | 98.9 | Very high | 97.3 | Very high | 0 Ų | 0 | 24.7 Ų | 24.7 | 0% | 0 | 15% | 0.147 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.6 | 106.3 | 174.5 | -172 | 0 | 0 | 0 | 0 | 106 | I9 R13 V14 V15 V25 A54 I395 I403 V404 | I9-V59 HydrophobicContact CD1-CG1 4.06Å; I9-V59 HydrophobicContact CG2-CG1 4.17Å; I9-V59 HydrophobicContact CG2-CG2 3.81Å; R13-V59 PolarHBondContact O-N 2.92Å; V14-V59 WeakPolarHBondContact CA-O 3.41Å; V14-V59 HydrophobicContact CG2-CB 4.11Å; V14-V59 HydrophobicContact CG2-CG1 4.47Å; V15-V59 PolarHBondContact N-O 3.35Å; V25-V59 HydrophobicContact CG2-CG1 4.27Å; A54-V59 HydrophobicContact CB-CG2 3.88Å; V59-I395 HydrophobicContact CB-CD1 4.37Å; V59-I395 HydrophobicContact CG1-CD1 3.81Å; V59-I395 WeakPolarHBondContact O-CD1 3.43Å; V59-I403 HydrophobicContact CG1-CG2 3.38Å; V59-V404 WeakPolarHBondContact CA-O 3.32Å |
| 60 | L | 98.9 | Very high | 97.8 | Very high | 1 Ų | 1 | 23.7 Ų | 23.7 | 1% | 0.005 | 14% | 0.142 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.6 | 149.8 | -170.6 | -48 | -176.4 | 0 | 0 | 0 | 110 | V15 L58 G62 F374 V375 I395 I403 V404 W406 | V15-L60 HydrophobicContact CB-CD2 3.5Å; V15-L60 HydrophobicContact CG1-CD2 4.14Å; V15-L60 HydrophobicContact CG2-CD2 3.8Å; L58-L60 HydrophobicContact CB-CD2 3.73Å; L58-L60 HydrophobicContact CB-CG 4.21Å; L58-L60 HydrophobicContact CD1-CD2 4.38Å; L60-G62 PolarHBondContact O-N 3.37Å; L60-F374 HydrophobicContact CD1-CD1 4.18Å; L60-F374 HydrophobicContact CD1-CE1 3.75Å; L60-V375 HydrophobicContact CB-CG2 4.43Å; L60-V375 HydrophobicContact CD2-CG2 3.98Å; L60-I395 VanDerWaalsContact C-CD1 3.45Å; L60-I403 WeakPolarHBondContact O-CA 3.43Å; L60-V404 PolarHBondContact N-O 2.78Å; L60-V404 PolarHBondContact O-N 3.18Å; L60-W406 HydrophobicContact CD1-CB 3.77Å; L60-W406 HydrophobicContact CD1-CD2 4.22Å; L60-W406 HydrophobicContact CD1-CG 3.85Å; L60-W406 HydrophobicContact CG-CB 4.07Å |
| 61 | P | 98.9 | Very high | 97.9 | Very high | 3 Ų | 3 | 20.9 Ų | 20.9 | 2% | 0.019 | 13% | 0.133 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -54.2 | 138.6 | 159.2 | -19.1 | 30.3 | 0 | 0 | 0 | 109.3 | V15 V375 I395 | V15-P61 VanDerWaalsContact O-CD 3.28Å; V15-P61 WeakPolarHBondContact O-CD 3.47Å; P61-V375 HydrophobicContact CG-CG1 3.79Å; P61-I395 HydrophobicContact CG-CG1 4.17Å |
| 62 | G | 98.9 | Very high | 98.1 | Very high | 2 Ų | 2 | 18.6 Ų | 18.6 | 2% | 0.021 | 12% | 0.119 | C | C | . | . | P | Polyproline II helix | trans | -59 | 144.3 | 173.6 | 0 | 0 | 0 | 0 | 0 | 111.4 | L60 T96 S379 D402 | L60-G62 PolarHBondContact O-N 3.37Å; G62-T96 VanDerWaalsContact CA-OG1 3.3Å; G62-T96 WeakPolarHBondContact CA-OG1 3.25Å; G62-S379 WeakPolarHBondContact O-CB 3.49Å; G62-S379 PolarHBondContact O-OG 3.31Å; G62-D402 PolarHBondContact N-O 2.69Å |
| 63 | G | 98.9 | Very high | 98.1 | Very high | 0 Ų | 0 | 20.6 Ų | 20.6 | 0% | 0 | 13% | 0.132 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -61.6 | 144.8 | -179.3 | 0 | 0 | 0 | 0 | 0 | 111.7 | G94 T95 T96 M97 R355 | G63-G94 PolarHBondContact N-O 3.03Å; G63-T95 CarbonylContact O-C 3.55Å; G63-T95 WeakPolarHBondContact O-CA 3.45Å; G63-T95 WeakPolarHBondContact O-CG2 3.26Å; G63-T96 PolarHBondContact O-N 3.21Å; G63-M97 PolarHBondContact O-N 3.07Å; G63-R355 VanDerWaalsContact CA-NH2 3.29Å |
| 64 | I | 99 | Very high | 98 | Very high | 2 Ų | 2 | 15.3 Ų | 15.3 | 1% | 0.01 | 10% | 0.103 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.1 | 112.8 | 169.7 | -56.3 | 176.8 | 0 | 0 | 0 | 107.1 | M97 I99 R355 T378 A382 A383 K392 | I64-M97 WeakPolarHBondContact CA-O 3.46Å; I64-M97 HydrophobicContact CG1-CB 4.23Å; I64-M97 HydrophobicContact CG2-CB 4.34Å; I64-M97 HydrophobicContact CG2-CG 4.4Å; I64-M97 HydrophobicContact CG2-SD 4.37Å; I64-I99 HydrophobicContact CG2-CD1 4.44Å; I64-I99 HydrophobicContact CG2-CG1 4.5Å; I64-R355 PolarHBondContact O-NH1 2.76Å; I64-R355 VanDerWaalsContact O-NH1 3.15Å; I64-T378 PolarHBondContact N-O 3.32Å; I64-A382 HydrophobicContact CB-CB 4.05Å; I64-A382 HydrophobicContact CG2-CB 3.95Å; I64-A383 HydrophobicContact CD1-CB 3.82Å; I64-K392 HydrophobicContact CD1-CB 3.98Å |
| 65 | D | 98.9 | Very high | 97.6 | Very high | 0 Ų | 0 | 18.1 Ų | 18.1 | 0% | 0 | 12% | 0.117 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.8 | 114 | 171.9 | -166.8 | -22.8 | 0 | 0 | 0 | 108.9 | H67 T68 T95 M97 I98 I99 G324 T325 | D65-H67 PolarHBondContact O-N 2.99Å; D65-H67 PolarHBondContact OD1-N 3.27Å; D65-T68 HydrophobicContact CB-CG2 4.29Å; D65-T95 HydrophobicContact CB-CG2 3.88Å; D65-M97 PolarHBondContact N-O 3.12Å; D65-I98 HydrophobicContact CB-CG2 4.29Å; D65-I98 CarbonylContact O-C 3.55Å; D65-I98 WeakPolarHBondContact O-CA 3.47Å; D65-I99 PolarHBondContact O-N 3.43Å; D65-G324 WeakPolarHBondContact OD1-CA 3.3Å; D65-T325 PolarHBondContact OD1-N 3.22Å; D65-T325 PolarHBondContact OD1-OG1 3.35Å; D65-T325 WeakPolarHBondContact OD2-CB 3.28Å; D65-T325 WeakPolarHBondContact OD2-CG2 3.33Å; D65-T325 PolarHBondContact OD2-OG1 3.33Å |
| 66 | T | 98.8 | Very high | 97.1 | Very high | 0 Ų | 0 | 19.9 Ų | 19.9 | 0% | 0 | 14% | 0.14 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.6 | -3.4 | -175.4 | 50.4 | 0 | 0 | 0 | 0 | 113 | H132 Y245 E271 T323 A382 F386 | T66-H132 PolarHBondContact O-NE2 2.92Å; T66-H132 VanDerWaalsContact O-NE2 3.09Å; T66-Y245 PolarHBondContact OG1-OH 2.75Å; T66-E271 WeakPolarHBondContact CB-OE2 3.48Å; T66-E271 PolarHBondContact OG1-OE2 2.86Å; T66-T323 PolarHBondContact OG1-O 2.96Å; T66-A382 HydrophobicContact CG2-CB 3.34Å; T66-F386 HydrophobicContact CG2-CD2 4.02Å; T66-F386 HydrophobicContact CG2-CE2 3.54Å |
| 67 | H | 98.9 | Very high | 96.9 | Very high | 2 Ų | 2 | 18 Ų | 18 | 1% | 0.009 | 12% | 0.116 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -148.7 | 96.6 | -171.2 | -158.8 | 153.6 | 0 | 0 | 0 | 113.4 | D65 H69 F101 V247 H248 E271 T325 D326 N327 | D65-H67 PolarHBondContact O-N 2.99Å; D65-H67 PolarHBondContact OD1-N 3.27Å; H67-H69 AromaticContact CD2-CD2 3.99Å; H67-H69 AromaticContact CD2-NE2 3.34Å; H67-H69 PolarHBondContact CD2-NE2 3.35Å; H67-H69 VanDerWaalsContact CD2-NE2 3.34Å; H67-H69 AromaticContact NE2-CE1 3.85Å; H67-H69 AromaticContact NE2-NE2 3.1Å; H67-H69 PolarHBondContact NE2-NE2 2.98Å; H67-F101 HydrophobicContact CB-CE2 4.29Å; H67-F101 AromaticContact CD2-CD2 3.81Å; H67-F101 AromaticContact CD2-CE2 3.17Å; H67-F101 WeakPolarHBondContact CD2-CE2 3.46Å; H67-F101 AromaticContact CD2-CZ 3.97Å; H67-F101 AromaticContact CG-CE2 3.69Å; H67-F101 AromaticContact NE2-CE2 3.5Å; H67-F101 WeakPolarHBondContact NE2-CE2 3.36Å; H67-F101 AromaticContact NE2-CZ 3.93Å; H67-V247 VanDerWaalsContact CE1-CG2 3.47Å; H67-V247 WeakPolarHBondContact CE1-CG2 3.38Å; H67-H248 AromaticContact CE1-CD2 3.39Å; H67-H248 PolarHBondContact CE1-CD2 3.02Å; H67-E271 IonicContact CE1-OE1 2.69Å; H67-E271 IonicContact CG-OE1 2.93Å; H67-E271 IonicContact ND1-OE1 3.79Å; H67-E271 PolarHBondContact ND1-OE1 3.39Å; H67-T325 PolarHBondContact O-N 3.04Å; H67-T325 PolarHBondContact O-OG1 2.81Å; H67-D326 IonicContact CD2-OD1 3.31Å; H67-D326 PolarHBondContact CD2-OD1 3.29Å; H67-D326 IonicContact CE1-OD1 2.9Å; H67-D326 IonicContact NE2-OD1 2.63Å; H67-D326 PolarHBondContact NE2-OD1 2.86Å; H67-D326 VanDerWaalsContact O-CA 3.28Å; H67-D326 WeakPolarHBondContact O-CA 3.15Å; H67-D326 PolarHBondContact O-N 2.74Å; H67-N327 PolarHBondContact O-N 3.34Å |
| 68 | T | 98.9 | Very high | 96.9 | Very high | 0 Ų | 0 | 20.2 Ų | 20.2 | 0% | 0 | 12% | 0.123 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.8 | 157.3 | 174.5 | 67.2 | 0 | 0 | 0 | 0 | 112.3 | D65 M70 I98 I99 D100 F101 N327 V352 | D65-T68 HydrophobicContact CB-CG2 4.29Å; T68-M70 HydrophobicContact CG2-CE 3.82Å; T68-I98 HydrophobicContact CG2-CB 3.99Å; T68-I98 HydrophobicContact CG2-CG2 4.08Å; T68-I99 PolarHBondContact N-O 3.07Å; T68-D100 WeakPolarHBondContact CB-OD2 3.36Å; T68-D100 WeakPolarHBondContact O-CA 3.46Å; T68-D100 WeakPolarHBondContact OG1-CA 3.36Å; T68-D100 WeakPolarHBondContact OG1-CB 3.26Å; T68-D100 PolarHBondContact OG1-OD2 3Å; T68-F101 WeakPolarHBondContact O-CD2 3.14Å; T68-F101 PolarHBondContact O-N 3.2Å; T68-N327 HydrophobicContact CG2-CB 4.45Å; T68-V352 HydrophobicContact CG2-CG2 4.5Å |
| 69 | H | 98.7 | Very high | 96.8 | Very high | 15 Ų | 15 | 19.8 Ų | 19.8 | 7% | 0.069 | 12% | 0.121 | C | C | . | . | trans | -134.3 | 74.8 | 172 | -57.9 | -83.5 | 0 | 0 | 0 | 110 | H67 F72 S79 D100 F101 D326 N327 C328 | H67-H69 AromaticContact CD2-CD2 3.99Å; H67-H69 AromaticContact CD2-NE2 3.34Å; H67-H69 PolarHBondContact CD2-NE2 3.35Å; H67-H69 VanDerWaalsContact CD2-NE2 3.34Å; H67-H69 AromaticContact NE2-CE1 3.85Å; H67-H69 AromaticContact NE2-NE2 3.1Å; H67-H69 PolarHBondContact NE2-NE2 2.98Å; H69-F72 HydrophobicContact CB-CB 3.81Å; H69-F72 HydrophobicContact CB-CD1 4.01Å; H69-F72 HydrophobicContact CB-CG 4.21Å; H69-S79 WeakPolarHBondContact O-CB 3.35Å; H69-S79 PolarHBondContact O-OG 3.45Å; H69-S79 VanDerWaalsContact O-OG 3.06Å; H69-D100 WeakPolarHBondContact CA-OD2 3.46Å; H69-D100 PolarHBondContact N-OD2 3.46Å; H69-F101 AromaticContact CE1-CD2 3.6Å; H69-F101 AromaticContact CE1-CG 3.84Å; H69-D326 IonicContact CD2-OD1 2.88Å; H69-D326 PolarHBondContact CD2-OD1 3.48Å; H69-D326 IonicContact NE2-OD1 3.83Å; H69-D326 PolarHBondContact NE2-OD1 3.33Å; H69-N327 CarbonylContact C-O 3.5Å; H69-N327 WeakPolarHBondContact CA-O 3.46Å; H69-N327 PolarHBondContact N-O 3.26Å; H69-C328 HydrophobicContact CB-CB 3.88Å | ||
| 70 | M | 98.4 | Very high | 96.8 | Very high | 0 Ų | 0 | 22.8 Ų | 22.8 | 0% | 0 | 14% | 0.136 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -76.5 | 132 | 179.6 | -55.7 | -53.2 | -177.9 | 0 | 0 | 110.8 | T68 F72 D81 F83 I98 D100 V352 | T68-M70 HydrophobicContact CG2-CE 3.82Å; M70-F72 PolarHBondContact O-N 2.95Å; M70-D81 CarbonylContact C-O 3.5Å; M70-D81 WeakPolarHBondContact CA-O 3.41Å; M70-D81 HydrophobicContact SD-CB 4.24Å; M70-F83 HydrophobicContact CB-CD1 3.79Å; M70-F83 HydrophobicContact CB-CD2 4Å; M70-F83 HydrophobicContact CB-CE1 3.79Å; M70-F83 HydrophobicContact CB-CE2 4Å; M70-F83 HydrophobicContact CB-CG 3.89Å; M70-F83 HydrophobicContact CB-CZ 3.89Å; M70-F83 HydrophobicContact CG-CD1 4.02Å; M70-F83 HydrophobicContact CG-CE1 4.08Å; M70-I98 HydrophobicContact CE-CD1 3.9Å; M70-I98 HydrophobicContact CG-CD1 3.96Å; M70-D100 WeakPolarHBondContact CG-OD2 3.47Å; M70-D100 PolarHBondContact N-OD2 2.95Å; M70-V352 HydrophobicContact CE-CB 4.47Å; M70-V352 HydrophobicContact CE-CG2 4.06Å |
| 71 | E | 96.8 | Very high | 96.8 | Very high | 37 Ų | 37 | 22.7 Ų | 22.7 | 17% | 0.173 | 14% | 0.136 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 54.6 | 21.1 | 178.2 | -155.3 | 169.9 | 179.8 | 0 | 0 | 113.6 | P73 R78 D81 D82 K124 | E71-P73 WeakPolarHBondContact O-CD 3.4Å; E71-R78 HydrophobicContact CG-CG 4.31Å; E71-R78 VanDerWaalsContact O-CG 3.22Å; E71-R78 WeakPolarHBondContact O-CG 3.41Å; E71-R78 PolarHBondContact O-NH1 3.3Å; E71-D81 PolarHBondContact N-O 2.85Å; E71-D82 HydrophobicContact CB-CB 4.06Å; E71-D82 HydrophobicContact CG-CB 4.15Å; E71-K124 IonicContact OE1-NZ 2.78Å; E71-K124 PolarHBondContact OE1-NZ 3.01Å; E71-K124 VanDerWaalsContact OE1-NZ 3.13Å; E71-K124 IonicContact OE2-NZ 3.54Å; E71-K124 PolarHBondContact OE2-NZ 3.35Å |
| 72 | F | 97.3 | Very high | 96.7 | Very high | 9 Ų | 9 | 24.4 Ų | 24.4 | 4% | 0.039 | 15% | 0.145 | C | C | . | . | trans | -70.3 | 122 | -170.6 | 176.8 | -138.3 | 0 | 0 | 0 | 112.4 | H69 M70 F74 R78 S79 I103 W117 | H69-F72 HydrophobicContact CB-CB 3.81Å; H69-F72 HydrophobicContact CB-CD1 4.01Å; H69-F72 HydrophobicContact CB-CG 4.21Å; M70-F72 PolarHBondContact O-N 2.95Å; F72-F74 HydrophobicContact CD1-CB 3.63Å; F72-F74 HydrophobicContact CD1-CG 4.08Å; F72-F74 HydrophobicContact CE1-CB 3.45Å; F72-F74 VanDerWaalsContact CE1-CB 3.45Å; F72-F74 HydrophobicContact CE1-CD1 4.24Å; F72-F74 AromaticContact CE1-CD2 3.61Å; F72-F74 HydrophobicContact CE1-CD2 3.61Å; F72-F74 HydrophobicContact CE1-CE2 4.43Å; F72-F74 AromaticContact CE1-CG 3.51Å; F72-F74 HydrophobicContact CE1-CG 3.51Å; F72-F74 HydrophobicContact CG-CB 4.3Å; F72-F74 HydrophobicContact CZ-CB 3.97Å; F72-F74 AromaticContact CZ-CD2 3.83Å; F72-F74 HydrophobicContact CZ-CD2 3.83Å; F72-F74 HydrophobicContact CZ-CG 4.11Å; F72-F74 PolarHBondContact O-N 2.83Å; F72-R78 WeakPolarHBondContact O-CA 3.49Å; F72-S79 PolarHBondContact O-N 3.37Å; F72-I103 HydrophobicContact CE1-CD1 4Å; F72-I103 HydrophobicContact CE2-CB 3.88Å; F72-I103 HydrophobicContact CE2-CD1 3.88Å; F72-I103 HydrophobicContact CE2-CG1 4.28Å; F72-I103 HydrophobicContact CE2-CG2 4.37Å; F72-I103 HydrophobicContact CZ-CB 4.22Å; F72-I103 HydrophobicContact CZ-CD1 3.58Å; F72-I103 HydrophobicContact CZ-CG1 4.41Å; F72-I103 HydrophobicContact CZ-CG2 4.32Å; F72-W117 AromaticContact CD2-CZ2 3.86Å; F72-W117 HydrophobicContact CD2-CZ2 3.86Å; F72-W117 HydrophobicContact CE2-CZ2 4.23Å | ||
| 73 | P | 96.1 | Very high | 96.7 | Very high | 50 Ų | 50 | 24.3 Ų | 24.3 | 33% | 0.325 | 14% | 0.144 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -72.1 | 113.9 | 171.8 | -9.6 | 24 | 0 | 0 | 0 | 110.8 | E71 S77 W120 | E71-P73 WeakPolarHBondContact O-CD 3.4Å; P73-S77 CarbonylContact C-O 3.2Å; P73-S77 WeakPolarHBondContact CA-O 3.13Å; P73-W120 HydrophobicContact CG-CH2 3.93Å; P73-W120 HydrophobicContact CG-CZ3 4.46Å |
| 74 | F | 93.6 | Very high | 96.7 | Very high | 14 Ų | 14 | 27.1 Ų | 27.1 | 6% | 0.061 | 16% | 0.157 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -152.7 | 140.8 | -173.5 | -172.5 | -124 | 0 | 0 | 0 | 112.6 | F72 G76 S77 Y164 Y168 F330 N347 | F72-F74 HydrophobicContact CD1-CB 3.63Å; F72-F74 HydrophobicContact CD1-CG 4.08Å; F72-F74 HydrophobicContact CE1-CB 3.45Å; F72-F74 VanDerWaalsContact CE1-CB 3.45Å; F72-F74 HydrophobicContact CE1-CD1 4.24Å; F72-F74 AromaticContact CE1-CD2 3.61Å; F72-F74 HydrophobicContact CE1-CD2 3.61Å; F72-F74 HydrophobicContact CE1-CE2 4.43Å; F72-F74 AromaticContact CE1-CG 3.51Å; F72-F74 HydrophobicContact CE1-CG 3.51Å; F72-F74 HydrophobicContact CG-CB 4.3Å; F72-F74 HydrophobicContact CZ-CB 3.97Å; F72-F74 AromaticContact CZ-CD2 3.83Å; F72-F74 HydrophobicContact CZ-CD2 3.83Å; F72-F74 HydrophobicContact CZ-CG 4.11Å; F72-F74 PolarHBondContact O-N 2.83Å; F74-G76 PolarHBondContact O-N 3.34Å; F74-G76 VanDerWaalsContact O-N 3.16Å; F74-S77 PolarHBondContact N-O 2.86Å; F74-S77 CarbonylContact O-C 3.53Å; F74-S77 PolarHBondContact O-N 3.38Å; F74-Y164 AromaticContact CZ-CE1 3.9Å; F74-Y164 HydrophobicContact CZ-CE1 3.9Å; F74-Y168 HydrophobicContact CD2-CE2 4.3Å; F74-Y168 AromaticContact CE2-CE2 3.9Å; F74-Y168 HydrophobicContact CE2-CE2 3.9Å; F74-F330 HydrophobicContact CB-CZ 4.29Å; F74-F330 HydrophobicContact CD1-CZ 4.24Å; F74-N347 HydrophobicContact CE1-CB 4.02Å |
| 75 | M | 88.5 | Confident | 96.7 | Very high | 59 Ų | 59 | 29.7 Ų | 29.7 | 29% | 0.291 | 17% | 0.169 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 47.6 | 42.7 | 178.4 | -64.7 | -176.2 | 69.6 | 0 | 0 | 114.2 | S77 T343 I345 P346 N347 | M75-S77 VanDerWaalsContact C-N 3.26Å; M75-S77 PolarHBondContact O-N 3.41Å; M75-T343 WeakPolarHBondContact CE-O 3.45Å; M75-I345 VanDerWaalsContact CE-O 3.31Å; M75-I345 WeakPolarHBondContact CE-O 3.32Å; M75-P346 HydrophobicContact CB-CB 4.43Å; M75-N347 HydrophobicContact SD-CB 4.3Å; M75-N347 PolarHBondContact SD-ND2 3.05Å |
| 76 | G | 86.3 | Confident | 96.7 | Very high | 86 Ų | 86 | 29.7 Ų | 29.7 | 89% | 0.887 | 17% | 0.169 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 76 | 9.2 | 178.5 | 0 | 0 | 0 | 0 | 0 | 114.8 | F74 | F74-G76 PolarHBondContact O-N 3.34Å; F74-G76 VanDerWaalsContact O-N 3.16Å |
| 77 | S | 93.7 | Very high | 96.7 | Very high | 31 Ų | 31 | 29.7 Ų | 29.7 | 22% | 0.217 | 17% | 0.169 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.8 | -166 | 175.1 | -154.2 | 0 | 0 | 0 | 0 | 111.1 | P73 F74 M75 Q334 | P73-S77 CarbonylContact C-O 3.2Å; P73-S77 WeakPolarHBondContact CA-O 3.13Å; F74-S77 PolarHBondContact N-O 2.86Å; F74-S77 CarbonylContact O-C 3.53Å; F74-S77 PolarHBondContact O-N 3.38Å; M75-S77 VanDerWaalsContact C-N 3.26Å; M75-S77 PolarHBondContact O-N 3.41Å; S77-Q334 PolarHBondContact OG-NE2 2.77Å |
| 78 | R | 97 | Very high | 96.7 | Very high | 99 Ų | 99 | 31.7 Ų | 31.7 | 37% | 0.374 | 18% | 0.178 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.3 | 138.6 | 176.9 | -172.7 | -179.8 | -76.1 | -94.9 | 9.7 | 110.2 | E71 F72 I80 Q334 | E71-R78 HydrophobicContact CG-CG 4.31Å; E71-R78 VanDerWaalsContact O-CG 3.22Å; E71-R78 WeakPolarHBondContact O-CG 3.41Å; E71-R78 PolarHBondContact O-NH1 3.3Å; F72-R78 WeakPolarHBondContact O-CA 3.49Å; R78-I80 PolarHBondContact O-N 2.88Å; R78-Q334 PolarHBondContact O-NE2 2.9Å |
| 79 | S | 97.9 | Very high | 96.7 | Very high | 5 Ų | 5 | 31.7 Ų | 31.7 | 4% | 0.035 | 18% | 0.178 | C | C | . | . | trans | -53.3 | 133.4 | 172.7 | -176.9 | 0 | 0 | 0 | 0 | 110.4 | H69 F72 T329 | H69-S79 WeakPolarHBondContact O-CB 3.35Å; H69-S79 PolarHBondContact O-OG 3.45Å; H69-S79 VanDerWaalsContact O-OG 3.06Å; F72-S79 PolarHBondContact O-N 3.37Å; S79-T329 CarbonylContact C-O 3.48Å; S79-T329 WeakPolarHBondContact CA-O 3.47Å; S79-T329 PolarHBondContact OG-N 3.43Å; S79-T329 VanDerWaalsContact OG-N 3.13Å; S79-T329 PolarHBondContact OG-O 3.11Å | ||
| 80 | I | 98.3 | Very high | 96.7 | Very high | 63 Ų | 63 | 31 Ų | 31 | 32% | 0.323 | 17% | 0.174 | S | C | . | . | S | Bend | trans | -81.9 | -30.1 | -173.5 | -165 | 69.9 | 0 | 0 | 0 | 112.4 | R78 D82 T329 A422 V423 | R78-I80 PolarHBondContact O-N 2.88Å; I80-D82 PolarHBondContact O-N 3.44Å; I80-T329 WeakPolarHBondContact CG2-OG1 3.16Å; I80-T329 PolarHBondContact N-O 3.13Å; I80-A422 HydrophobicContact CB-CB 4.44Å; I80-A422 HydrophobicContact CG1-CB 3.91Å; I80-A422 HydrophobicContact CG2-CB 4.07Å; I80-V423 HydrophobicContact CG2-CB 3.9Å; I80-V423 HydrophobicContact CG2-CG2 4.45Å |
| 81 | D | 98.2 | Very high | 96.7 | Very high | 0 Ų | 0 | 31 Ų | 31 | 0% | 0 | 17% | 0.174 | C | C | . | . | S | Bend | trans | -72.3 | 108.7 | 166.4 | -74.1 | -57.3 | 0 | 0 | 0 | 109.1 | M70 E71 T329 Q421 A422 | M70-D81 CarbonylContact C-O 3.5Å; M70-D81 WeakPolarHBondContact CA-O 3.41Å; M70-D81 HydrophobicContact SD-CB 4.24Å; E71-D81 PolarHBondContact N-O 2.85Å; D81-T329 WeakPolarHBondContact CB-OG1 3.33Å; D81-T329 VanDerWaalsContact CG-OG1 3.3Å; D81-T329 PolarHBondContact N-OG1 2.9Å; D81-T329 WeakPolarHBondContact OD2-CB 3.19Å; D81-T329 VanDerWaalsContact OD2-CG2 3.23Å; D81-T329 WeakPolarHBondContact OD2-CG2 3.21Å; D81-T329 PolarHBondContact OD2-OG1 3.16Å; D81-Q421 WeakPolarHBondContact OD1-CA 3.31Å; D81-A422 WeakPolarHBondContact OD1-CB 3.29Å; D81-A422 PolarHBondContact OD1-N 2.85Å |
| 82 | D | 98.5 | Very high | 96.8 | Very high | 39 Ų | 39 | 29.5 Ų | 29.5 | 21% | 0.209 | 17% | 0.168 | C | C | . | . | trans | -84.4 | 176.4 | 169.5 | 85.6 | -14 | 0 | 0 | 0 | 111.5 | E71 I80 H84 Q85 G86 K124 | E71-D82 HydrophobicContact CB-CB 4.06Å; E71-D82 HydrophobicContact CG-CB 4.15Å; I80-D82 PolarHBondContact O-N 3.44Å; D82-H84 PolarHBondContact O-N 2.84Å; D82-H84 VanDerWaalsContact O-N 3.15Å; D82-H84 WeakPolarHBondContact OD1-CA 3.32Å; D82-H84 WeakPolarHBondContact OD1-CB 3.41Å; D82-H84 PolarHBondContact OD1-N 3.3Å; D82-Q85 PolarHBondContact O-N 2.89Å; D82-Q85 PolarHBondContact OD1-N 3.29Å; D82-G86 WeakPolarHBondContact O-CA 3.24Å; D82-G86 PolarHBondContact O-N 3.22Å; D82-K124 IonicContact OD2-NZ 3.22Å; D82-K124 PolarHBondContact OD2-NZ 3.42Å | ||
| 83 | F | 98.8 | Very high | 96.9 | Very high | 0 Ų | 0 | 29.1 Ų | 29.1 | 0% | 0 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -60 | -26 | -179.6 | -78.8 | -77.9 | 0 | 0 | 0 | 113.7 | M70 T87 I98 D100 W120 A121 K124 V125 | M70-F83 HydrophobicContact CB-CD1 3.79Å; M70-F83 HydrophobicContact CB-CD2 4Å; M70-F83 HydrophobicContact CB-CE1 3.79Å; M70-F83 HydrophobicContact CB-CE2 4Å; M70-F83 HydrophobicContact CB-CG 3.89Å; M70-F83 HydrophobicContact CB-CZ 3.89Å; M70-F83 HydrophobicContact CG-CD1 4.02Å; M70-F83 HydrophobicContact CG-CE1 4.08Å; F83-T87 WeakPolarHBondContact O-CB 3.45Å; F83-T87 VanDerWaalsContact O-CG2 3.24Å; F83-T87 WeakPolarHBondContact O-CG2 3.41Å; F83-T87 PolarHBondContact O-N 3.49Å; F83-T87 PolarHBondContact O-OG1 3.37Å; F83-I98 HydrophobicContact CD1-CD1 4.33Å; F83-I98 HydrophobicContact CE1-CD1 4.43Å; F83-D100 HydrophobicContact CE1-CB 3.95Å; F83-D100 HydrophobicContact CZ-CB 4.16Å; F83-W120 HydrophobicContact CD2-CB 4.03Å; F83-W120 HydrophobicContact CE2-CB 4.03Å; F83-A121 HydrophobicContact CB-CB 4.46Å; F83-A121 HydrophobicContact CD1-CB 3.58Å; F83-A121 HydrophobicContact CD2-CB 3.87Å; F83-A121 HydrophobicContact CE1-CB 3.65Å; F83-A121 HydrophobicContact CE2-CB 3.94Å; F83-A121 HydrophobicContact CG-CB 3.7Å; F83-A121 HydrophobicContact CZ-CB 3.84Å; F83-K124 HydrophobicContact CB-CB 3.73Å; F83-K124 HydrophobicContact CB-CD 4.26Å; F83-V125 HydrophobicContact CB-CG1 3.98Å; F83-V125 HydrophobicContact CD1-CG1 3.78Å; F83-V125 HydrophobicContact CG-CG1 4.24Å |
| 84 | H | 98.8 | Very high | 97 | Very high | 58 Ų | 58 | 26.8 Ų | 26.8 | 27% | 0.269 | 15% | 0.152 | S | C | . | . | H | α-helix | trans | -79.8 | -55.3 | 178.6 | 174.1 | -117.6 | 0 | 0 | 0 | 110.5 | D82 T87 K88 K124 C126 | D82-H84 PolarHBondContact O-N 2.84Å; D82-H84 VanDerWaalsContact O-N 3.15Å; D82-H84 WeakPolarHBondContact OD1-CA 3.32Å; D82-H84 WeakPolarHBondContact OD1-CB 3.41Å; D82-H84 PolarHBondContact OD1-N 3.3Å; H84-T87 PolarHBondContact O-OG1 2.96Å; H84-K88 WeakPolarHBondContact O-CG 3.39Å; H84-K88 PolarHBondContact O-N 3.38Å; H84-K88 VanDerWaalsContact O-N 3.11Å; H84-K124 WeakPolarHBondContact CA-O 3.23Å; H84-K124 HydrophobicContact CB-CB 4.02Å; H84-K124 HydrophobicContact CB-CG 4.46Å; H84-C126 VanDerWaalsContact CD2-SG 3.56Å |
| 85 | Q | 98.4 | Very high | 97.2 | Very high | 57 Ų | 57 | 26.1 Ų | 26.1 | 27% | 0.266 | 15% | 0.149 | S | C | . | . | H | α-helix | trans | -65.9 | -44.4 | -179 | -166.4 | 67.1 | 36.6 | 0 | 0 | 111.6 | D82 T87 K88 A89 H420 A422 | D82-Q85 PolarHBondContact O-N 2.89Å; D82-Q85 PolarHBondContact OD1-N 3.29Å; Q85-T87 PolarHBondContact O-N 2.88Å; Q85-K88 PolarHBondContact O-N 3.4Å; Q85-A89 WeakPolarHBondContact O-CB 3.41Å; Q85-A89 PolarHBondContact O-N 2.88Å; Q85-H420 PolarHBondContact NE2-O 3.3Å; Q85-A422 HydrophobicContact CG-CB 4Å |
| 86 | G | 98.7 | Very high | 97.7 | Very high | 0 Ų | 0 | 23.4 Ų | 23.4 | 0% | 0 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -63.3 | -39.1 | -179 | 0 | 0 | 0 | 0 | 0 | 113.3 | D82 A89 A90 | D82-G86 WeakPolarHBondContact O-CA 3.24Å; D82-G86 PolarHBondContact O-N 3.22Å; G86-A89 WeakPolarHBondContact O-CB 3.39Å; G86-A89 PolarHBondContact O-N 3.12Å; G86-A90 PolarHBondContact O-N 3.48Å |
| 87 | T | 98.9 | Very high | 98.3 | Very high | 0 Ų | 0 | 19.3 Ų | 19.3 | 0% | 0 | 9% | 0.093 | C | C | . | . | H | α-helix | trans | -76.2 | -28.7 | 175.8 | 57.3 | 0 | 0 | 0 | 0 | 113.1 | F83 H84 Q85 A90 L91 I98 V125 C126 | F83-T87 WeakPolarHBondContact O-CB 3.45Å; F83-T87 VanDerWaalsContact O-CG2 3.24Å; F83-T87 WeakPolarHBondContact O-CG2 3.41Å; F83-T87 PolarHBondContact O-N 3.49Å; F83-T87 PolarHBondContact O-OG1 3.37Å; H84-T87 PolarHBondContact O-OG1 2.96Å; Q85-T87 PolarHBondContact O-N 2.88Å; T87-A90 WeakPolarHBondContact O-CB 3.44Å; T87-A90 PolarHBondContact O-N 3.3Å; T87-L91 WeakPolarHBondContact O-CG 3.39Å; T87-L91 PolarHBondContact O-N 3.33Å; T87-I98 HydrophobicContact CG2-CD1 3.62Å; T87-I98 HydrophobicContact CG2-CG1 4.2Å; T87-V125 HydrophobicContact CG2-CB 4.2Å; T87-V125 HydrophobicContact CG2-CG1 4.01Å; T87-C126 WeakPolarHBondContact OG1-CB 3.28Å; T87-C126 PolarHBondContact OG1-N 3.11Å |
| 88 | K | 98.6 | Very high | 98.6 | Very high | 44 Ų | 44 | 17.8 Ų | 17.8 | 19% | 0.191 | 8% | 0.083 | C | C | . | . | H | α-helix | trans | -63.6 | -45.1 | 167.4 | -75.5 | -177 | 67.5 | -178.6 | 0 | 111.4 | H84 Q85 A90 L91 A92 C126 F453 V455 | H84-K88 WeakPolarHBondContact O-CG 3.39Å; H84-K88 PolarHBondContact O-N 3.38Å; H84-K88 VanDerWaalsContact O-N 3.11Å; Q85-K88 PolarHBondContact O-N 3.4Å; K88-A90 VanDerWaalsContact C-N 3.32Å; K88-A90 PolarHBondContact O-N 3.32Å; K88-L91 PolarHBondContact O-N 2.64Å; K88-A92 PolarHBondContact O-N 3.28Å; K88-C126 HydrophobicContact CG-CB 4.15Å; K88-F453 HydrophobicContact CB-CD1 4.46Å; K88-F453 HydrophobicContact CB-CE1 3.93Å; K88-F453 HydrophobicContact CB-CZ 4.19Å; K88-F453 HydrophobicContact CG-CD1 4.45Å; K88-F453 HydrophobicContact CG-CE1 4.41Å; K88-F453 VanDerWaalsContact O-CE1 3.23Å; K88-F453 WeakPolarHBondContact O-CE1 3.27Å; K88-V455 HydrophobicContact CG-CG1 4.4Å |
| 89 | A | 98.8 | Very high | 98.7 | Very high | 0 Ų | 0 | 13.1 Ų | 13.1 | 0% | 0 | 7% | 0.065 | C | C | . | . | H | α-helix | trans | -58.3 | -44.6 | 174.4 | 0 | 0 | 0 | 0 | 0 | 111.6 | Q85 G86 L91 A92 G93 V352 E353 H420 Q421 | Q85-A89 WeakPolarHBondContact O-CB 3.41Å; Q85-A89 PolarHBondContact O-N 2.88Å; G86-A89 WeakPolarHBondContact O-CB 3.39Å; G86-A89 PolarHBondContact O-N 3.12Å; A89-L91 PolarHBondContact O-N 2.93Å; A89-A92 PolarHBondContact O-N 3.22Å; A89-G93 PolarHBondContact O-N 3.37Å; A89-V352 HydrophobicContact CB-CG1 3.77Å; A89-E353 HydrophobicContact CB-CB 4.15Å; A89-E353 WeakPolarHBondContact O-CA 3.49Å; A89-E353 WeakPolarHBondContact O-CB 3.26Å; A89-E353 WeakPolarHBondContact O-CG 3.43Å; A89-H420 HydrophobicContact CB-CB 4.48Å; A89-H420 WeakPolarHBondContact CB-O 3.39Å; A89-Q421 HydrophobicContact CB-CG 3.64Å |
| 90 | A | 98.9 | Very high | 98.7 | Very high | 0 Ų | 0 | 12.9 Ų | 12.9 | 0% | 0 | 6% | 0.063 | C | C | . | . | H | α-helix | trans | -54.4 | -49.7 | 173.6 | 0 | 0 | 0 | 0 | 0 | 112 | G86 T87 K88 A92 G93 G94 T95 I98 V352 | G86-A90 PolarHBondContact O-N 3.48Å; T87-A90 WeakPolarHBondContact O-CB 3.44Å; T87-A90 PolarHBondContact O-N 3.3Å; K88-A90 VanDerWaalsContact C-N 3.32Å; K88-A90 PolarHBondContact O-N 3.32Å; A90-A92 PolarHBondContact O-N 3.4Å; A90-G93 CarbonylContact O-C 3.59Å; A90-G93 WeakPolarHBondContact O-CA 3.49Å; A90-G93 PolarHBondContact O-N 2.75Å; A90-G93 VanDerWaalsContact O-N 3.08Å; A90-G94 PolarHBondContact O-N 3.5Å; A90-T95 CarbonylContact C-O 3.52Å; A90-T95 HydrophobicContact CB-CG2 4.03Å; A90-T95 WeakPolarHBondContact O-CA 3.45Å; A90-T95 WeakPolarHBondContact O-CB 3.2Å; A90-T95 PolarHBondContact O-N 2.76Å; A90-T95 VanDerWaalsContact O-O 3.07Å; A90-I98 HydrophobicContact CB-CG2 4.2Å; A90-V352 HydrophobicContact CB-CG2 3.61Å |
| 91 | L | 98.9 | Very high | 98.8 | Very high | 0 Ų | 0 | 9.9 Ų | 9.9 | 0% | 0 | 5% | 0.048 | C | C | . | . | H | α-helix | trans | -63.5 | -41.2 | -179.4 | -72.9 | 173.4 | 0 | 0 | 0 | 112.8 | T87 K88 A89 G93 G94 T95 T96 C126 C127 T440 V447 V455 | T87-L91 WeakPolarHBondContact O-CG 3.39Å; T87-L91 PolarHBondContact O-N 3.33Å; K88-L91 PolarHBondContact O-N 2.64Å; A89-L91 PolarHBondContact O-N 2.93Å; L91-G93 PolarHBondContact O-N 3.41Å; L91-G94 PolarHBondContact O-N 3.05Å; L91-G94 VanDerWaalsContact O-N 3.13Å; L91-T95 WeakPolarHBondContact CA-O 3.47Å; L91-T95 PolarHBondContact N-O 2.72Å; L91-T96 HydrophobicContact CD2-CG2 4.28Å; L91-C126 HydrophobicContact CD1-CB 3.8Å; L91-C127 HydrophobicContact CD1-CB 4.16Å; L91-C127 HydrophobicContact CD2-CB 3.67Å; L91-C127 HydrophobicContact CG-CB 3.89Å; L91-T440 HydrophobicContact CB-CG2 4.48Å; L91-T440 HydrophobicContact CD2-CG2 3.76Å; L91-T440 VanDerWaalsContact O-CB 3.31Å; L91-T440 WeakPolarHBondContact O-CB 3.05Å; L91-T440 WeakPolarHBondContact O-CG2 3.42Å; L91-T440 PolarHBondContact O-OG1 2.92Å; L91-V447 HydrophobicContact CB-CG2 4.48Å; L91-V447 HydrophobicContact CD1-CB 4.14Å; L91-V447 HydrophobicContact CD1-CG2 3.85Å; L91-V447 HydrophobicContact CD2-CG2 3.65Å; L91-V447 HydrophobicContact CG-CG2 4.21Å; L91-V455 HydrophobicContact CD1-CG1 4.2Å; L91-V455 HydrophobicContact CD1-CG2 4.39Å |
| 92 | A | 98.8 | Very high | 98.8 | Very high | 6 Ų | 6 | 9.9 Ų | 9.9 | 5% | 0.05 | 5% | 0.048 | C | C | . | . | H | α-helix | trans | -62.5 | -30.5 | 174 | 0 | 0 | 0 | 0 | 0 | 112.2 | K88 A89 A90 E353 P437 Y448 F453 | K88-A92 PolarHBondContact O-N 3.28Å; A89-A92 PolarHBondContact O-N 3.22Å; A90-A92 PolarHBondContact O-N 3.4Å; A92-E353 HydrophobicContact CB-CG 4.48Å; A92-P437 WeakPolarHBondContact O-CG 3.23Å; A92-Y448 HydrophobicContact CB-CD2 4.14Å; A92-Y448 HydrophobicContact CB-CE1 4.4Å; A92-Y448 HydrophobicContact CB-CE2 3.85Å; A92-F453 HydrophobicContact CB-CE1 4.14Å; A92-F453 HydrophobicContact CB-CZ 3.79Å |
| 93 | G | 98.6 | Very high | 98.8 | Very high | 1 Ų | 1 | 8.4 Ų | 8.4 | 1% | 0.01 | 4% | 0.04 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -81.6 | -4.1 | 174.7 | 0 | 0 | 0 | 0 | 0 | 115.8 | A89 A90 L91 E353 M356 | A89-G93 PolarHBondContact O-N 3.37Å; A90-G93 CarbonylContact O-C 3.59Å; A90-G93 WeakPolarHBondContact O-CA 3.49Å; A90-G93 PolarHBondContact O-N 2.75Å; A90-G93 VanDerWaalsContact O-N 3.08Å; L91-G93 PolarHBondContact O-N 3.41Å; G93-E353 WeakPolarHBondContact CA-O 3.32Å; G93-M356 VanDerWaalsContact O-CB 3.3Å; G93-M356 WeakPolarHBondContact O-CB 3.42Å; G93-M356 VanDerWaalsContact O-CG 3.27Å; G93-M356 WeakPolarHBondContact O-CG 3.39Å |
| 94 | G | 98.8 | Very high | 98.7 | Very high | 0 Ų | 0 | 8.8 Ų | 8.8 | 0% | 0 | 4% | 0.042 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 80.7 | 15.4 | -174 | 0 | 0 | 0 | 0 | 0 | 114.6 | G63 A90 L91 V404 | G63-G94 PolarHBondContact N-O 3.03Å; A90-G94 PolarHBondContact O-N 3.5Å; L91-G94 PolarHBondContact O-N 3.05Å; L91-G94 VanDerWaalsContact O-N 3.13Å; G94-V404 VanDerWaalsContact O-CG2 3.28Å; G94-V404 WeakPolarHBondContact O-CG2 3.39Å |
| 95 | T | 98.9 | Very high | 98.5 | Very high | 0 Ų | 0 | 13.7 Ų | 13.7 | 0% | 0 | 7% | 0.066 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.7 | 123.6 | 169.6 | -66.3 | 0 | 0 | 0 | 0 | 109.3 | G63 D65 A90 L91 M97 I98 R355 | G63-T95 CarbonylContact O-C 3.55Å; G63-T95 WeakPolarHBondContact O-CA 3.45Å; G63-T95 WeakPolarHBondContact O-CG2 3.26Å; D65-T95 HydrophobicContact CB-CG2 3.88Å; A90-T95 CarbonylContact C-O 3.52Å; A90-T95 HydrophobicContact CB-CG2 4.03Å; A90-T95 WeakPolarHBondContact O-CA 3.45Å; A90-T95 WeakPolarHBondContact O-CB 3.2Å; A90-T95 PolarHBondContact O-N 2.76Å; A90-T95 VanDerWaalsContact O-O 3.07Å; L91-T95 WeakPolarHBondContact CA-O 3.47Å; L91-T95 PolarHBondContact N-O 2.72Å; T95-M97 VanDerWaalsContact CG2-O 3.29Å; T95-M97 WeakPolarHBondContact CG2-O 3.26Å; T95-I98 HydrophobicContact CG2-CG2 4.41Å; T95-R355 PolarHBondContact OG1-NH2 3.16Å |
| 96 | T | 98.9 | Very high | 98.3 | Very high | 2 Ų | 2 | 16.7 Ų | 16.7 | 1% | 0.012 | 8% | 0.078 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.7 | -3.5 | -175.8 | 56.3 | 0 | 0 | 0 | 0 | 113.5 | G62 G63 L91 C127 D128 D402 T440 | G62-T96 VanDerWaalsContact CA-OG1 3.3Å; G62-T96 WeakPolarHBondContact CA-OG1 3.25Å; G63-T96 PolarHBondContact O-N 3.21Å; L91-T96 HydrophobicContact CD2-CG2 4.28Å; T96-C127 WeakPolarHBondContact O-CB 3.4Å; T96-D128 PolarHBondContact O-N 3.1Å; T96-D402 HydrophobicContact CG2-CB 4.31Å; T96-T440 HydrophobicContact CG2-CG2 3.63Å |
| 97 | M | 98.9 | Very high | 98.2 | Very high | 0 Ų | 0 | 19 Ų | 19 | 0% | 0 | 10% | 0.101 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.7 | 140.1 | 170.6 | -175.7 | 178.9 | -176.7 | 0 | 0 | 111.7 | G63 I64 D65 T95 I99 D128 L388 K392 I463 | G63-M97 PolarHBondContact O-N 3.07Å; I64-M97 WeakPolarHBondContact CA-O 3.46Å; I64-M97 HydrophobicContact CG1-CB 4.23Å; I64-M97 HydrophobicContact CG2-CB 4.34Å; I64-M97 HydrophobicContact CG2-CG 4.4Å; I64-M97 HydrophobicContact CG2-SD 4.37Å; D65-M97 PolarHBondContact N-O 3.12Å; T95-M97 VanDerWaalsContact CG2-O 3.29Å; T95-M97 WeakPolarHBondContact CG2-O 3.26Å; M97-I99 HydrophobicContact CE-CG1 4.36Å; M97-D128 WeakPolarHBondContact CA-O 3.43Å; M97-D128 WeakPolarHBondContact CG-O 3.34Å; M97-L388 HydrophobicContact CE-CD1 3.6Å; M97-L388 HydrophobicContact SD-CD1 3.66Å; M97-K392 HydrophobicContact CB-CD 4.45Å; M97-K392 HydrophobicContact CG-CD 4.45Å; M97-K392 HydrophobicContact SD-CD 3.29Å; M97-K392 WeakPolarHBondContact SD-CD 3.43Å; M97-K392 VanDerWaalsContact SD-CE 3.52Å; M97-I463 HydrophobicContact CE-CB 4.01Å; M97-I463 HydrophobicContact CE-CG1 4.25Å |
| 98 | I | 98.9 | Very high | 98.1 | Very high | 0 Ų | 0 | 20.1 Ų | 20.1 | 0% | 0 | 11% | 0.113 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.8 | 151.8 | 168.6 | 66.8 | 170.3 | 0 | 0 | 0 | 110.9 | D65 T68 M70 F83 T87 A90 T95 D128 Y129 S130 V352 | D65-I98 HydrophobicContact CB-CG2 4.29Å; D65-I98 CarbonylContact O-C 3.55Å; D65-I98 WeakPolarHBondContact O-CA 3.47Å; T68-I98 HydrophobicContact CG2-CB 3.99Å; T68-I98 HydrophobicContact CG2-CG2 4.08Å; M70-I98 HydrophobicContact CE-CD1 3.9Å; M70-I98 HydrophobicContact CG-CD1 3.96Å; F83-I98 HydrophobicContact CD1-CD1 4.33Å; F83-I98 HydrophobicContact CE1-CD1 4.43Å; T87-I98 HydrophobicContact CG2-CD1 3.62Å; T87-I98 HydrophobicContact CG2-CG1 4.2Å; A90-I98 HydrophobicContact CB-CG2 4.2Å; T95-I98 HydrophobicContact CG2-CG2 4.41Å; I98-D128 PolarHBondContact N-O 2.95Å; I98-Y129 CarbonylContact O-C 3.55Å; I98-Y129 WeakPolarHBondContact O-CA 3.16Å; I98-S130 PolarHBondContact O-N 3.44Å; I98-V352 HydrophobicContact CG2-CG2 4.3Å |
| 99 | I | 98.9 | Very high | 98.1 | Very high | 0 Ų | 0 | 18.8 Ų | 18.8 | 0% | 0 | 11% | 0.109 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.9 | 111.4 | 166.2 | -41.7 | 179.6 | 0 | 0 | 0 | 108.7 | I64 D65 T68 M97 S130 H132 F386 | I64-I99 HydrophobicContact CG2-CD1 4.44Å; I64-I99 HydrophobicContact CG2-CG1 4.5Å; D65-I99 PolarHBondContact O-N 3.43Å; T68-I99 PolarHBondContact N-O 3.07Å; M97-I99 HydrophobicContact CE-CG1 4.36Å; I99-S130 WeakPolarHBondContact CA-O 3.45Å; I99-H132 WeakPolarHBondContact CG2-CE1 3.47Å; I99-H132 VanDerWaalsContact CG2-NE2 3.3Å; I99-H132 WeakPolarHBondContact CG2-NE2 3.35Å; I99-F386 HydrophobicContact CD1-CB 4.17Å; I99-F386 HydrophobicContact CD1-CD2 3.65Å; I99-F386 HydrophobicContact CD1-CE2 4.25Å; I99-F386 HydrophobicContact CD1-CG 3.91Å |
| 100 | D | 98.9 | Very high | 98.1 | Very high | 0 Ų | 0 | 18.8 Ų | 18.8 | 0% | 0 | 11% | 0.109 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.3 | 161.1 | -173.7 | -159.5 | -94.2 | 0 | 0 | 0 | 111.4 | T68 H69 M70 F83 W117 S130 L131 H132 | T68-D100 WeakPolarHBondContact CB-OD2 3.36Å; T68-D100 WeakPolarHBondContact O-CA 3.46Å; T68-D100 WeakPolarHBondContact OG1-CA 3.36Å; T68-D100 WeakPolarHBondContact OG1-CB 3.26Å; T68-D100 PolarHBondContact OG1-OD2 3Å; H69-D100 WeakPolarHBondContact CA-OD2 3.46Å; H69-D100 PolarHBondContact N-OD2 3.46Å; M70-D100 WeakPolarHBondContact CG-OD2 3.47Å; M70-D100 PolarHBondContact N-OD2 2.95Å; F83-D100 HydrophobicContact CE1-CB 3.95Å; F83-D100 HydrophobicContact CZ-CB 4.16Å; D100-W117 PolarHBondContact OD1-NE1 2.84Å; D100-S130 PolarHBondContact N-O 3.4Å; D100-L131 HydrophobicContact CB-CD2 3.86Å; D100-L131 CarbonylContact O-C 2.99Å; D100-L131 VanDerWaalsContact O-CA 3.31Å; D100-L131 WeakPolarHBondContact O-CA 3.28Å; D100-H132 PolarHBondContact O-N 3.04Å |
| 101 | F | 98.8 | Very high | 98.1 | Very high | 0 Ų | 0 | 20.5 Ų | 20.5 | 0% | 0 | 12% | 0.118 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.4 | 114.4 | -178.3 | -71.3 | -97.6 | 0 | 0 | 0 | 112.2 | H67 T68 H69 I103 W117 H132 K159 | H67-F101 HydrophobicContact CB-CE2 4.29Å; H67-F101 AromaticContact CD2-CD2 3.81Å; H67-F101 AromaticContact CD2-CE2 3.17Å; H67-F101 WeakPolarHBondContact CD2-CE2 3.46Å; H67-F101 AromaticContact CD2-CZ 3.97Å; H67-F101 AromaticContact CG-CE2 3.69Å; H67-F101 AromaticContact NE2-CE2 3.5Å; H67-F101 WeakPolarHBondContact NE2-CE2 3.36Å; H67-F101 AromaticContact NE2-CZ 3.93Å; T68-F101 WeakPolarHBondContact O-CD2 3.14Å; T68-F101 PolarHBondContact O-N 3.2Å; H69-F101 AromaticContact CE1-CD2 3.6Å; H69-F101 AromaticContact CE1-CG 3.84Å; F101-I103 HydrophobicContact CB-CD1 3.92Å; F101-I103 HydrophobicContact CB-CG1 3.84Å; F101-I103 PolarHBondContact O-N 3.38Å; F101-W117 VanDerWaalsContact O-CE2 3.28Å; F101-W117 PolarHBondContact O-NE1 2.91Å; F101-H132 HydrophobicContact CD1-CB 3.53Å; F101-H132 HydrophobicContact CE1-CB 3.6Å; F101-H132 AromaticContact CE1-CD2 3.66Å; F101-H132 AromaticContact CE1-CG 3.88Å; F101-H132 AromaticContact CE2-CD2 3.57Å; F101-H132 HydrophobicContact CG-CB 4.09Å; F101-H132 HydrophobicContact CZ-CB 4.21Å; F101-H132 AromaticContact CZ-CD2 3.32Å; F101-H132 WeakPolarHBondContact CZ-CD2 3.26Å; F101-K159 HydrophobicContact CD1-CB 3.74Å; F101-K159 HydrophobicContact CD1-CD 4.43Å; F101-K159 HydrophobicContact CD1-CG 3.74Å; F101-K159 HydrophobicContact CE1-CB 3.63Å; F101-K159 HydrophobicContact CE1-CD 3.8Å; F101-K159 HydrophobicContact CE1-CG 3.59Å |
| 102 | A | 98.8 | Very high | 98.1 | Very high | 0 Ų | 0 | 26.9 Ų | 26.9 | 0% | 0 | 15% | 0.148 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -76.8 | 113.8 | 163.9 | 0 | 0 | 0 | 0 | 0 | 110.1 | W117 H132 V133 A134 | A102-W117 HydrophobicContact CB-CB 4.05Å; A102-W117 HydrophobicContact CB-CD2 3.92Å; A102-W117 HydrophobicContact CB-CE3 4.28Å; A102-W117 HydrophobicContact CB-CG 3.82Å; A102-H132 PolarHBondContact N-O 2.77Å; A102-V133 HydrophobicContact CB-CG2 4.34Å; A102-V133 WeakPolarHBondContact O-CA 3.29Å; A102-A134 PolarHBondContact O-N 3.39Å |
| 103 | I | 98.4 | Very high | 98.1 | Very high | 9 Ų | 9 | 27 Ų | 27 | 5% | 0.046 | 15% | 0.149 | C | C | . | . | trans | -119.1 | 100.8 | -171.5 | -55.1 | 178.7 | 0 | 0 | 0 | 110.6 | F72 F101 W117 A134 T136 F161 Y168 | F72-I103 HydrophobicContact CE1-CD1 4Å; F72-I103 HydrophobicContact CE2-CB 3.88Å; F72-I103 HydrophobicContact CE2-CD1 3.88Å; F72-I103 HydrophobicContact CE2-CG1 4.28Å; F72-I103 HydrophobicContact CE2-CG2 4.37Å; F72-I103 HydrophobicContact CZ-CB 4.22Å; F72-I103 HydrophobicContact CZ-CD1 3.58Å; F72-I103 HydrophobicContact CZ-CG1 4.41Å; F72-I103 HydrophobicContact CZ-CG2 4.32Å; F101-I103 HydrophobicContact CB-CD1 3.92Å; F101-I103 HydrophobicContact CB-CG1 3.84Å; F101-I103 PolarHBondContact O-N 3.38Å; I103-W117 HydrophobicContact CB-CH2 4.42Å; I103-W117 HydrophobicContact CB-CZ2 4.33Å; I103-W117 VanDerWaalsContact N-CZ2 3.34Å; I103-W117 VanDerWaalsContact O-CH2 3.26Å; I103-W117 WeakPolarHBondContact O-CH2 3.47Å; I103-A134 HydrophobicContact CB-CB 4.26Å; I103-A134 HydrophobicContact CG1-CB 3.96Å; I103-A134 HydrophobicContact CG2-CB 4.1Å; I103-T136 HydrophobicContact CG2-CG2 3.99Å; I103-F161 HydrophobicContact CD1-CZ 4.32Å; I103-Y168 HydrophobicContact CG2-CD1 4.48Å; I103-Y168 HydrophobicContact CG2-CE1 3.96Å; I103-Y168 HydrophobicContact CG2-CE2 4.48Å | ||
| 104 | P | 97.4 | Very high | 98.1 | Very high | 7 Ų | 7 | 27 Ų | 27 | 5% | 0.045 | 15% | 0.148 | C | C | . | . | P | Polyproline II helix | trans | -69.9 | 149.8 | 173.8 | 28.1 | -32.4 | 0 | 0 | 0 | 111.2 | L110 A113 A134 T136 | P104-L110 HydrophobicContact CG-CD1 4.1Å; P104-L110 HydrophobicContact CG-CG 4.27Å; P104-A113 HydrophobicContact CB-CB 3.83Å; P104-A113 HydrophobicContact CG-CB 4.32Å; P104-A134 VanDerWaalsContact CD-O 3.32Å; P104-A134 WeakPolarHBondContact CD-O 3.24Å; P104-A134 WeakPolarHBondContact CG-O 3.36Å; P104-T136 WeakPolarHBondContact O-CG2 3.38Å; P104-T136 PolarHBondContact O-OG1 2.86Å |
| 105 | Q | 94.4 | Very high | 98.1 | Very high | 162 Ų | 162 | 30.4 Ų | 30.4 | 76% | 0.757 | 17% | 0.165 | S | C | * | . | P | Polyproline II helix | trans | -63.3 | 153.6 | 162.1 | -65.9 | -174 | 1.6 | 0 | 0 | 110.1 | G107 G108 | Q105-G107 PolarHBondContact O-N 2.92Å; Q105-G108 PolarHBondContact O-N 2.9Å |
| 106 | K | 94.4 | Very high | 98.1 | Very high | 119 Ų | 119 | 33 Ų | 33 | 52% | 0.517 | 18% | 0.18 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -55.5 | 125.5 | 175.5 | 177.2 | 158.1 | -171.4 | 174.5 | 0 | 110.7 | W137 | K106-W137 HydrophobicContact CG-CB 4.05Š|
| 107 | G | 96.4 | Very high | 98.1 | Very high | 48 Ų | 48 | 33.5 Ų | 33.5 | 50% | 0.495 | 18% | 0.182 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 87.4 | -7 | -174.8 | 0 | 0 | 0 | 0 | 0 | 115.2 | Q105 W137 | Q105-G107 PolarHBondContact O-N 2.92Å; G107-W137 VanDerWaalsContact CA-CE2 3.45Å |
| 108 | G | 97.3 | Very high | 98.1 | Very high | 25 Ų | 25 | 36.1 Ų | 36.1 | 26% | 0.258 | 19% | 0.192 | S | C | . | . | S | Bend | trans | -83.3 | 158.8 | 176 | 0 | 0 | 0 | 0 | 0 | 113.4 | Q105 W137 | Q105-G108 PolarHBondContact O-N 2.9Å; G108-W137 PolarHBondContact O-NE1 3.48Å |
| 109 | S | 98.6 | Very high | 98.1 | Very high | 15 Ų | 15 | 39.6 Ų | 39.6 | 11% | 0.105 | 22% | 0.216 | C | C | . | . | trans | -71.7 | 134.3 | 176.4 | 176.9 | 0 | 0 | 0 | 0 | 111.8 | I111 E112 A113 E145 | S109-I111 VanDerWaalsContact C-N 3.32Å; S109-I111 PolarHBondContact OG-N 2.99Å; S109-E112 PolarHBondContact OG-N 3.35Å; S109-A113 PolarHBondContact O-N 2.89Å; S109-A113 VanDerWaalsContact O-N 3.16Å; S109-E145 WeakPolarHBondContact CA-OE2 3.39Å; S109-E145 WeakPolarHBondContact CB-OE1 3.27Å; S109-E145 PolarHBondContact OG-OE1 2.9Å; S109-E145 PolarHBondContact OG-OE2 3.3Å | ||
| 110 | L | 98.8 | Very high | 98.1 | Very high | 0 Ų | 0 | 42.2 Ų | 42.2 | 0% | 0 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -69.4 | -33 | 175 | -78.4 | 58.4 | 0 | 0 | 0 | 111 | P104 F114 V133 V135 V142 E145 M146 L149 | P104-L110 HydrophobicContact CG-CD1 4.1Å; P104-L110 HydrophobicContact CG-CG 4.27Å; L110-F114 WeakPolarHBondContact O-CB 3.42Å; L110-F114 PolarHBondContact O-N 3.43Å; L110-V133 HydrophobicContact CB-CG1 3.97Å; L110-V133 HydrophobicContact CD2-CG1 4.35Å; L110-V133 HydrophobicContact CG-CG1 4.07Å; L110-V135 HydrophobicContact CD2-CG2 4.18Å; L110-V142 HydrophobicContact CD1-CG1 4.25Å; L110-V142 HydrophobicContact CD1-CG2 4.03Å; L110-V142 HydrophobicContact CD2-CG1 3.9Å; L110-E145 HydrophobicContact CB-CB 4.28Å; L110-E145 WeakPolarHBondContact CB-OE2 3.36Å; L110-E145 PolarHBondContact N-OE2 3.24Å; L110-M146 HydrophobicContact CD2-CG 3.9Å; L110-L149 HydrophobicContact CB-CD1 3.76Å; L110-L149 HydrophobicContact CD2-CD1 4.44Å |
| 111 | I | 98.8 | Very high | 98.1 | Very high | 37 Ų | 37 | 42.2 Ų | 42.2 | 19% | 0.19 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -69.1 | -46.1 | 177.5 | -63.8 | 173.5 | 0 | 0 | 0 | 109.9 | S109 A113 F114 E115 E145 I148 L149 | S109-I111 VanDerWaalsContact C-N 3.32Å; S109-I111 PolarHBondContact OG-N 2.99Å; I111-A113 VanDerWaalsContact C-N 3.3Å; I111-A113 PolarHBondContact O-N 2.79Å; I111-F114 WeakPolarHBondContact O-CB 3.32Å; I111-F114 PolarHBondContact O-N 3.47Å; I111-F114 VanDerWaalsContact O-N 3.15Å; I111-E115 HydrophobicContact CG2-CG 4.37Å; I111-E115 WeakPolarHBondContact O-CG 3.4Å; I111-E115 PolarHBondContact O-N 3.05Å; I111-E145 HydrophobicContact CD1-CB 4.2Å; I111-E145 HydrophobicContact CD1-CG 3.87Å; I111-E145 HydrophobicContact CG1-CB 4.11Å; I111-E145 HydrophobicContact CG1-CG 4.08Å; I111-I148 HydrophobicContact CD1-CB 4Å; I111-I148 HydrophobicContact CD1-CD1 3.93Å; I111-I148 HydrophobicContact CD1-CG2 3.71Å; I111-L149 HydrophobicContact CG1-CD2 4.38Å; I111-L149 HydrophobicContact CG1-CG 4.19Å |
| 112 | E | 98.8 | Very high | 98.1 | Very high | 134 Ų | 134 | 45 Ų | 45 | 63% | 0.626 | 24% | 0.241 | S | C | * | . | H | α-helix | trans | -61.3 | -39.6 | 177.2 | -67.6 | 177.7 | 166 | 0 | 0 | 111.8 | S109 E115 T116 | S109-E112 PolarHBondContact OG-N 3.35Å; E112-E115 PolarHBondContact O-N 2.87Å; E112-T116 VanDerWaalsContact O-CB 3.28Å; E112-T116 WeakPolarHBondContact O-CB 3.42Å; E112-T116 PolarHBondContact O-N 3.24Å; E112-T116 PolarHBondContact O-OG1 2.74Å |
| 113 | A | 98.7 | Very high | 98.1 | Very high | 8 Ų | 8 | 48.8 Ų | 48.8 | 7% | 0.066 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -62.5 | -46 | 172.5 | 0 | 0 | 0 | 0 | 0 | 111.7 | P104 S109 I111 E115 T116 W117 | P104-A113 HydrophobicContact CB-CB 3.83Å; P104-A113 HydrophobicContact CG-CB 4.32Å; S109-A113 PolarHBondContact O-N 2.89Å; S109-A113 VanDerWaalsContact O-N 3.16Å; I111-A113 VanDerWaalsContact C-N 3.3Å; I111-A113 PolarHBondContact O-N 2.79Å; A113-E115 PolarHBondContact O-N 2.72Å; A113-T116 PolarHBondContact O-N 2.76Å; A113-W117 HydrophobicContact CB-CZ3 4.29Å; A113-W117 PolarHBondContact O-N 2.96Å |
| 114 | F | 98.9 | Very high | 98.1 | Very high | 0 Ų | 0 | 50.8 Ų | 50.8 | 0% | 0 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -56.8 | -49 | 175.4 | 172.4 | -90.7 | 0 | 0 | 0 | 112 | L110 I111 T116 W117 R118 L131 V133 L149 K153 V155 F462 | L110-F114 WeakPolarHBondContact O-CB 3.42Å; L110-F114 PolarHBondContact O-N 3.43Å; I111-F114 WeakPolarHBondContact O-CB 3.32Å; I111-F114 PolarHBondContact O-N 3.47Å; I111-F114 VanDerWaalsContact O-N 3.15Å; F114-T116 VanDerWaalsContact C-N 3.32Å; F114-T116 PolarHBondContact O-N 2.79Å; F114-W117 PolarHBondContact O-N 3.3Å; F114-R118 HydrophobicContact CD1-CG 4.08Å; F114-R118 HydrophobicContact CE1-CG 3.64Å; F114-R118 HydrophobicContact CE2-CG 4.22Å; F114-R118 HydrophobicContact CZ-CG 3.73Å; F114-R118 VanDerWaalsContact O-CG 3.31Å; F114-R118 WeakPolarHBondContact O-CG 3.25Å; F114-R118 PolarHBondContact O-N 2.93Å; F114-L131 HydrophobicContact CD2-CB 4.29Å; F114-L131 HydrophobicContact CD2-CD1 3.78Å; F114-L131 HydrophobicContact CE2-CB 4.26Å; F114-L131 HydrophobicContact CE2-CD1 3.84Å; F114-V133 HydrophobicContact CB-CG2 4.44Å; F114-V133 HydrophobicContact CD2-CG2 4.21Å; F114-L149 HydrophobicContact CB-CD2 3.67Å; F114-L149 HydrophobicContact CD1-CD2 4.24Å; F114-L149 HydrophobicContact CD2-CD2 4.08Å; F114-L149 HydrophobicContact CG-CD2 3.73Å; F114-K153 HydrophobicContact CD1-CB 4.28Å; F114-K153 HydrophobicContact CD1-CD 4.43Å; F114-K153 HydrophobicContact CD1-CG 4.34Å; F114-K153 HydrophobicContact CE1-CB 3.77Å; F114-K153 HydrophobicContact CE1-CD 3.98Å; F114-K153 HydrophobicContact CE1-CG 4.09Å; F114-K153 HydrophobicContact CE2-CB 4.32Å; F114-K153 HydrophobicContact CZ-CB 3.78Å; F114-V155 HydrophobicContact CD2-CG2 3.81Å; F114-V155 HydrophobicContact CE2-CG2 3.65Å; F114-F462 HydrophobicContact CE2-CE2 4.06Å; F114-F462 AromaticContact CE2-CZ 3.87Å; F114-F462 HydrophobicContact CE2-CZ 3.87Å; F114-F462 HydrophobicContact CZ-CE1 4.31Å; F114-F462 HydrophobicContact CZ-CE2 4.24Å; F114-F462 AromaticContact CZ-CZ 3.83Å; F114-F462 HydrophobicContact CZ-CZ 3.83Å |
| 115 | E | 98.8 | Very high | 98.2 | Very high | 73 Ų | 73 | 50.4 Ų | 50.4 | 34% | 0.341 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -65.5 | -36.7 | -180 | -65.5 | -58.4 | 160.1 | 0 | 0 | 112.1 | I111 E112 A113 R118 S119 K153 | I111-E115 HydrophobicContact CG2-CG 4.37Å; I111-E115 WeakPolarHBondContact O-CG 3.4Å; I111-E115 PolarHBondContact O-N 3.05Å; E112-E115 PolarHBondContact O-N 2.87Å; A113-E115 PolarHBondContact O-N 2.72Å; E115-R118 PolarHBondContact O-N 3.11Å; E115-S119 WeakPolarHBondContact O-CB 3.48Å; E115-S119 PolarHBondContact O-N 3.16Å; E115-K153 VanDerWaalsContact OE1-CE 3.26Å; E115-K153 WeakPolarHBondContact OE1-CE 3.4Å; E115-K153 IonicContact OE1-NZ 2.7Å; E115-K153 PolarHBondContact OE1-NZ 2.99Å |
| 116 | T | 98.8 | Very high | 98.4 | Very high | 53 Ų | 53 | 42.8 Ų | 42.8 | 33% | 0.325 | 24% | 0.236 | S | C | . | . | H | α-helix | trans | -60.1 | -49.1 | 174.6 | -63.4 | 0 | 0 | 0 | 0 | 110.8 | E112 A113 F114 R118 S119 W120 | E112-T116 VanDerWaalsContact O-CB 3.28Å; E112-T116 WeakPolarHBondContact O-CB 3.42Å; E112-T116 PolarHBondContact O-N 3.24Å; E112-T116 PolarHBondContact O-OG1 2.74Å; A113-T116 PolarHBondContact O-N 2.76Å; F114-T116 VanDerWaalsContact C-N 3.32Å; F114-T116 PolarHBondContact O-N 2.79Å; T116-R118 PolarHBondContact O-N 2.9Å; T116-S119 WeakPolarHBondContact O-CB 3.37Å; T116-S119 PolarHBondContact O-N 3.4Å; T116-S119 PolarHBondContact O-OG 2.89Å; T116-W120 HydrophobicContact CG2-CD2 4.21Å; T116-W120 VanDerWaalsContact CG2-CE2 3.44Å; T116-W120 HydrophobicContact CG2-CH2 3.79Å; T116-W120 HydrophobicContact CG2-CZ2 3.22Å; T116-W120 HydrophobicContact CG2-CZ3 4.47Å; T116-W120 PolarHBondContact O-N 3.25Å; T116-W120 VanDerWaalsContact O-N 3.17Å |
| 117 | W | 98.8 | Very high | 98.6 | Very high | 14 Ų | 14 | 37.1 Ų | 37.1 | 5% | 0.053 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -64.7 | -40.8 | 178 | -94.8 | -113.7 | 0 | 0 | 0 | 112.4 | F72 D100 F101 A102 I103 A113 F114 S119 W120 A121 L131 | F72-W117 AromaticContact CD2-CZ2 3.86Å; F72-W117 HydrophobicContact CD2-CZ2 3.86Å; F72-W117 HydrophobicContact CE2-CZ2 4.23Å; D100-W117 PolarHBondContact OD1-NE1 2.84Å; F101-W117 VanDerWaalsContact O-CE2 3.28Å; F101-W117 PolarHBondContact O-NE1 2.91Å; A102-W117 HydrophobicContact CB-CB 4.05Å; A102-W117 HydrophobicContact CB-CD2 3.92Å; A102-W117 HydrophobicContact CB-CE3 4.28Å; A102-W117 HydrophobicContact CB-CG 3.82Å; I103-W117 HydrophobicContact CB-CH2 4.42Å; I103-W117 HydrophobicContact CB-CZ2 4.33Å; I103-W117 VanDerWaalsContact N-CZ2 3.34Å; I103-W117 VanDerWaalsContact O-CH2 3.26Å; I103-W117 WeakPolarHBondContact O-CH2 3.47Å; A113-W117 HydrophobicContact CB-CZ3 4.29Å; A113-W117 PolarHBondContact O-N 2.96Å; F114-W117 PolarHBondContact O-N 3.3Å; W117-S119 VanDerWaalsContact C-N 3.28Å; W117-S119 PolarHBondContact O-N 3.16Å; W117-W120 HydrophobicContact CD2-CE3 4.11Å; W117-W120 AromaticContact CD2-CZ3 3.78Å; W117-W120 HydrophobicContact CD2-CZ3 3.78Å; W117-W120 AromaticContact CE2-CZ3 3.79Å; W117-W120 HydrophobicContact CE3-CE3 4.42Å; W117-W120 HydrophobicContact CE3-CH2 4.14Å; W117-W120 AromaticContact CE3-CZ3 3.86Å; W117-W120 HydrophobicContact CE3-CZ3 3.86Å; W117-W120 HydrophobicContact CG-CE3 4.32Å; W117-W120 HydrophobicContact CG-CZ3 4.45Å; W117-W120 HydrophobicContact CH2-CH2 4.28Å; W117-W120 HydrophobicContact CH2-CZ3 4.14Å; W117-W120 HydrophobicContact CZ2-CZ3 4.01Å; W117-W120 HydrophobicContact CZ3-CH2 4.04Å; W117-W120 HydrophobicContact CZ3-CZ3 4.06Å; W117-W120 PolarHBondContact O-N 2.97Å; W117-A121 WeakPolarHBondContact O-CB 3.48Å; W117-A121 PolarHBondContact O-N 3.21Å; W117-L131 HydrophobicContact CB-CD1 3.85Å; W117-L131 HydrophobicContact CB-CD2 4.27Å |
| 118 | R | 98.8 | Very high | 98.7 | Very high | 55 Ų | 55 | 34.8 Ų | 34.8 | 21% | 0.208 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -57.1 | -42.7 | 172.7 | -72.4 | -66.7 | -55 | -75.3 | -11.8 | 111.6 | F114 E115 T116 W120 A121 D122 Y129 L131 | F114-R118 HydrophobicContact CD1-CG 4.08Å; F114-R118 HydrophobicContact CE1-CG 3.64Å; F114-R118 HydrophobicContact CE2-CG 4.22Å; F114-R118 HydrophobicContact CZ-CG 3.73Å; F114-R118 VanDerWaalsContact O-CG 3.31Å; F114-R118 WeakPolarHBondContact O-CG 3.25Å; F114-R118 PolarHBondContact O-N 2.93Å; E115-R118 PolarHBondContact O-N 3.11Å; T116-R118 PolarHBondContact O-N 2.9Å; R118-W120 VanDerWaalsContact C-N 3.28Å; R118-W120 PolarHBondContact O-N 2.94Å; R118-A121 PolarHBondContact O-N 2.89Å; R118-D122 IonicContact CZ-OD1 2.62Å; R118-D122 IonicContact CZ-OD2 2.72Å; R118-D122 IonicContact NE-OD1 3.78Å; R118-D122 PolarHBondContact NE-OD1 2.62Å; R118-D122 IonicContact NE-OD2 3.61Å; R118-D122 PolarHBondContact NE-OD2 2.9Å; R118-D122 VanDerWaalsContact NE-OD2 3.17Å; R118-D122 IonicContact NH2-OD1 3.79Å; R118-D122 IonicContact NH2-OD2 2.84Å; R118-D122 PolarHBondContact NH2-OD2 3.15Å; R118-D122 VanDerWaalsContact O-CB 3.3Å; R118-D122 WeakPolarHBondContact O-CB 3.48Å; R118-D122 PolarHBondContact O-N 3.47Å; R118-Y129 WeakPolarHBondContact CD-OH 3.47Å; R118-Y129 PolarHBondContact NE-OH 3.18Å; R118-Y129 VanDerWaalsContact NE-OH 3.09Å; R118-L131 HydrophobicContact CG-CD1 3.94Å |
| 119 | S | 98.8 | Very high | 98.8 | Very high | 72 Ų | 72 | 33.6 Ų | 33.6 | 50% | 0.503 | 18% | 0.176 | S | C | . | . | H | α-helix | trans | -64.4 | -30.6 | 178.7 | 82.7 | 0 | 0 | 0 | 0 | 113.4 | E115 T116 W117 P123 | E115-S119 WeakPolarHBondContact O-CB 3.48Å; E115-S119 PolarHBondContact O-N 3.16Å; T116-S119 WeakPolarHBondContact O-CB 3.37Å; T116-S119 PolarHBondContact O-N 3.4Å; T116-S119 PolarHBondContact O-OG 2.89Å; W117-S119 VanDerWaalsContact C-N 3.28Å; W117-S119 PolarHBondContact O-N 3.16Å; S119-P123 WeakPolarHBondContact O-CD 3.41Å; S119-P123 WeakPolarHBondContact O-CG 3.23Å |
| 120 | W | 98.7 | Very high | 98.8 | Very high | 55 Ų | 55 | 32.9 Ų | 32.9 | 21% | 0.208 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -78.2 | -42.7 | 175.4 | -58.5 | -14.4 | 0 | 0 | 0 | 111.5 | P73 F83 T116 W117 R118 K124 | P73-W120 HydrophobicContact CG-CH2 3.93Å; P73-W120 HydrophobicContact CG-CZ3 4.46Å; F83-W120 HydrophobicContact CD2-CB 4.03Å; F83-W120 HydrophobicContact CE2-CB 4.03Å; T116-W120 HydrophobicContact CG2-CD2 4.21Å; T116-W120 VanDerWaalsContact CG2-CE2 3.44Å; T116-W120 HydrophobicContact CG2-CH2 3.79Å; T116-W120 HydrophobicContact CG2-CZ2 3.22Å; T116-W120 HydrophobicContact CG2-CZ3 4.47Å; T116-W120 PolarHBondContact O-N 3.25Å; T116-W120 VanDerWaalsContact O-N 3.17Å; W117-W120 HydrophobicContact CD2-CE3 4.11Å; W117-W120 AromaticContact CD2-CZ3 3.78Å; W117-W120 HydrophobicContact CD2-CZ3 3.78Å; W117-W120 AromaticContact CE2-CZ3 3.79Å; W117-W120 HydrophobicContact CE3-CE3 4.42Å; W117-W120 HydrophobicContact CE3-CH2 4.14Å; W117-W120 AromaticContact CE3-CZ3 3.86Å; W117-W120 HydrophobicContact CE3-CZ3 3.86Å; W117-W120 HydrophobicContact CG-CE3 4.32Å; W117-W120 HydrophobicContact CG-CZ3 4.45Å; W117-W120 HydrophobicContact CH2-CH2 4.28Å; W117-W120 HydrophobicContact CH2-CZ3 4.14Å; W117-W120 HydrophobicContact CZ2-CZ3 4.01Å; W117-W120 HydrophobicContact CZ3-CH2 4.04Å; W117-W120 HydrophobicContact CZ3-CZ3 4.06Å; W117-W120 PolarHBondContact O-N 2.97Å; R118-W120 VanDerWaalsContact C-N 3.28Å; R118-W120 PolarHBondContact O-N 2.94Å; W120-K124 WeakPolarHBondContact O-CD 3.21Å; W120-K124 WeakPolarHBondContact O-CG 3.49Å |
| 121 | A | 98.8 | Very high | 98.8 | Very high | 0 Ų | 0 | 32.9 Ų | 32.9 | 0% | 0 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -81.5 | -49.4 | -171.1 | 0 | 0 | 0 | 0 | 0 | 113.9 | F83 W117 R118 P123 K124 V125 Y129 | F83-A121 HydrophobicContact CB-CB 4.46Å; F83-A121 HydrophobicContact CD1-CB 3.58Å; F83-A121 HydrophobicContact CD2-CB 3.87Å; F83-A121 HydrophobicContact CE1-CB 3.65Å; F83-A121 HydrophobicContact CE2-CB 3.94Å; F83-A121 HydrophobicContact CG-CB 3.7Å; F83-A121 HydrophobicContact CZ-CB 3.84Å; W117-A121 WeakPolarHBondContact O-CB 3.48Å; W117-A121 PolarHBondContact O-N 3.21Å; R118-A121 PolarHBondContact O-N 2.89Å; A121-P123 VanDerWaalsContact C-CD 3.43Å; A121-P123 VanDerWaalsContact C-N 3.35Å; A121-P123 VanDerWaalsContact O-N 3.16Å; A121-K124 PolarHBondContact O-N 2.84Å; A121-V125 HydrophobicContact CB-CG1 4.04Å; A121-V125 WeakPolarHBondContact O-CG1 3.49Å; A121-V125 WeakPolarHBondContact O-CG2 3.24Å; A121-V125 PolarHBondContact O-N 3Å; A121-Y129 HydrophobicContact CB-CD2 4.13Å; A121-Y129 HydrophobicContact CB-CE1 4.07Å; A121-Y129 HydrophobicContact CB-CE2 3.45Å; A121-Y129 VanDerWaalsContact CB-CE2 3.45Å; A121-Y129 VanDerWaalsContact CB-CZ 3.4Å; A121-Y129 WeakPolarHBondContact CB-OH 3.31Å |
| 122 | D | 98.8 | Very high | 98.8 | Very high | 58 Ų | 58 | 31.1 Ų | 31.1 | 31% | 0.31 | 16% | 0.161 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -50.6 | -41.4 | -173.5 | -78 | -14.5 | 0 | 0 | 0 | 114.8 | R118 K124 Y129 | R118-D122 IonicContact CZ-OD1 2.62Å; R118-D122 IonicContact CZ-OD2 2.72Å; R118-D122 IonicContact NE-OD1 3.78Å; R118-D122 PolarHBondContact NE-OD1 2.62Å; R118-D122 IonicContact NE-OD2 3.61Å; R118-D122 PolarHBondContact NE-OD2 2.9Å; R118-D122 VanDerWaalsContact NE-OD2 3.17Å; R118-D122 IonicContact NH2-OD1 3.79Å; R118-D122 IonicContact NH2-OD2 2.84Å; R118-D122 PolarHBondContact NH2-OD2 3.15Å; R118-D122 VanDerWaalsContact O-CB 3.3Å; R118-D122 WeakPolarHBondContact O-CB 3.48Å; R118-D122 PolarHBondContact O-N 3.47Å; D122-K124 VanDerWaalsContact C-N 3.34Å; D122-Y129 WeakPolarHBondContact OD1-CE1 3.35Å; D122-Y129 PolarHBondContact OD1-OH 2.92Å |
| 123 | P | 98.7 | Very high | 98.8 | Very high | 81 Ų | 81 | 24.8 Ų | 24.8 | 53% | 0.526 | 13% | 0.132 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -81.3 | -9.8 | 177.7 | 31 | -34.2 | 0 | 0 | 0 | 114.3 | S119 A121 A457 G458 | S119-P123 WeakPolarHBondContact O-CD 3.41Å; S119-P123 WeakPolarHBondContact O-CG 3.23Å; A121-P123 VanDerWaalsContact C-CD 3.43Å; A121-P123 VanDerWaalsContact C-N 3.35Å; A121-P123 VanDerWaalsContact O-N 3.16Å; P123-A457 CarbonylContact O-C 3.57Å; P123-G458 PolarHBondContact O-N 3.06Å |
| 124 | K | 98.8 | Very high | 98.8 | Very high | 50 Ų | 50 | 24.4 Ų | 24.4 | 22% | 0.217 | 13% | 0.129 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -112.7 | -37.3 | -167.7 | -71.9 | -171.2 | -176.8 | -170.4 | 0 | 114.4 | E71 D82 F83 H84 W120 A121 D122 C126 A457 | E71-K124 IonicContact OE1-NZ 2.78Å; E71-K124 PolarHBondContact OE1-NZ 3.01Å; E71-K124 VanDerWaalsContact OE1-NZ 3.13Å; E71-K124 IonicContact OE2-NZ 3.54Å; E71-K124 PolarHBondContact OE2-NZ 3.35Å; D82-K124 IonicContact OD2-NZ 3.22Å; D82-K124 PolarHBondContact OD2-NZ 3.42Å; F83-K124 HydrophobicContact CB-CB 3.73Å; F83-K124 HydrophobicContact CB-CD 4.26Å; H84-K124 WeakPolarHBondContact CA-O 3.23Å; H84-K124 HydrophobicContact CB-CB 4.02Å; H84-K124 HydrophobicContact CB-CG 4.46Å; W120-K124 WeakPolarHBondContact O-CD 3.21Å; W120-K124 WeakPolarHBondContact O-CG 3.49Å; A121-K124 PolarHBondContact O-N 2.84Å; D122-K124 VanDerWaalsContact C-N 3.34Å; K124-C126 PolarHBondContact O-N 2.98Å; K124-A457 WeakPolarHBondContact O-CA 3.28Å |
| 125 | V | 98.8 | Very high | 98.8 | Very high | 0 Ų | 0 | 24.4 Ų | 24.4 | 0% | 0 | 13% | 0.129 | C | C | . | . | trans | -61.1 | 133.9 | -169.8 | -69.3 | 0 | 0 | 0 | 0 | 113.4 | F83 T87 A121 Y129 G458 D459 G460 | F83-V125 HydrophobicContact CB-CG1 3.98Å; F83-V125 HydrophobicContact CD1-CG1 3.78Å; F83-V125 HydrophobicContact CG-CG1 4.24Å; T87-V125 HydrophobicContact CG2-CB 4.2Å; T87-V125 HydrophobicContact CG2-CG1 4.01Å; A121-V125 HydrophobicContact CB-CG1 4.04Å; A121-V125 WeakPolarHBondContact O-CG1 3.49Å; A121-V125 WeakPolarHBondContact O-CG2 3.24Å; A121-V125 PolarHBondContact O-N 3Å; V125-Y129 HydrophobicContact CB-CD1 4.25Å; V125-Y129 HydrophobicContact CG1-CD1 3.86Å; V125-Y129 HydrophobicContact CG1-CE1 4.27Å; V125-Y129 HydrophobicContact CG1-CG 4.1Å; V125-Y129 HydrophobicContact CG2-CD1 3.76Å; V125-Y129 HydrophobicContact CG2-CE1 3.93Å; V125-G458 CarbonylContact O-C 3.46Å; V125-G458 VanDerWaalsContact O-CA 3.3Å; V125-G458 WeakPolarHBondContact O-CA 3.43Å; V125-G458 PolarHBondContact O-N 3.44Å; V125-D459 PolarHBondContact O-N 2.92Å; V125-G460 PolarHBondContact O-N 2.86Å | ||
| 126 | C | 98.8 | Very high | 98.8 | Very high | 1 Ų | 1 | 21 Ų | 21 | 1% | 0.007 | 11% | 0.113 | C | C | . | . | S | Bend | trans | -94.4 | -17.4 | 175.5 | -69.2 | 0 | 0 | 0 | 0 | 113 | H84 T87 K88 L91 K124 V455 | H84-C126 VanDerWaalsContact CD2-SG 3.56Å; T87-C126 WeakPolarHBondContact OG1-CB 3.28Å; T87-C126 PolarHBondContact OG1-N 3.11Å; K88-C126 HydrophobicContact CG-CB 4.15Å; L91-C126 HydrophobicContact CD1-CB 3.8Å; K124-C126 PolarHBondContact O-N 2.98Å; C126-V455 HydrophobicContact CB-CB 4.45Å; C126-V455 HydrophobicContact CB-CG1 3.91Å; C126-V455 HydrophobicContact CB-CG2 3.65Å; C126-V455 WeakPolarHBondContact O-CG2 3.34Å |
| 127 | C | 98.8 | Very high | 98.8 | Very high | 0 Ų | 0 | 20.3 Ų | 20.3 | 0% | 0 | 10% | 0.104 | C | C | . | . | S | Bend | trans | -128.6 | 167.2 | 174.7 | 70.8 | 0 | 0 | 0 | 0 | 110.7 | L91 T96 G460 | L91-C127 HydrophobicContact CD1-CB 4.16Å; L91-C127 HydrophobicContact CD2-CB 3.67Å; L91-C127 HydrophobicContact CG-CB 3.89Å; T96-C127 WeakPolarHBondContact O-CB 3.4Å; C127-G460 VanDerWaalsContact O-CA 3.27Å; C127-G460 WeakPolarHBondContact O-CA 3.38Å |
| 128 | D | 98.9 | Very high | 98.8 | Very high | 0 Ų | 0 | 22.5 Ų | 22.5 | 0% | 0 | 11% | 0.113 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -61.2 | 149.1 | 179.4 | -80.5 | -9 | 0 | 0 | 0 | 110.5 | T96 M97 I98 K392 R443 K461 I463 | T96-D128 PolarHBondContact O-N 3.1Å; M97-D128 WeakPolarHBondContact CA-O 3.43Å; M97-D128 WeakPolarHBondContact CG-O 3.34Å; I98-D128 PolarHBondContact N-O 2.95Å; D128-K392 IonicContact OD2-NZ 2.89Å; D128-K392 PolarHBondContact OD2-NZ 3.28Å; D128-R443 VanDerWaalsContact CG-NH1 3.31Å; D128-R443 WeakPolarHBondContact OD1-CD 3.43Å; D128-R443 IonicContact OD1-CZ 2.73Å; D128-R443 IonicContact OD1-NE 2.8Å; D128-R443 IonicContact OD1-NH1 3.05Å; D128-R443 PolarHBondContact OD1-NH1 2.84Å; D128-R443 IonicContact OD2-NH1 4Å; D128-R443 PolarHBondContact OD2-NH1 3.12Å; D128-K461 WeakPolarHBondContact CA-O 3.36Å; D128-K461 PolarHBondContact OD1-N 2.86Å; D128-I463 HydrophobicContact CB-CD1 4.2Å; D128-I463 HydrophobicContact CB-CG1 3.84Å; D128-I463 WeakPolarHBondContact OD2-CD1 3.48Å |
| 129 | Y | 98.9 | Very high | 98.8 | Very high | 0 Ų | 0 | 21.4 Ų | 21.4 | 0% | 0 | 11% | 0.113 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.2 | 167.7 | 178.4 | 83 | -72.1 | 0 | 0 | 0 | 111.6 | I98 R118 A121 D122 V125 L131 K461 F462 I463 | I98-Y129 CarbonylContact O-C 3.55Å; I98-Y129 WeakPolarHBondContact O-CA 3.16Å; R118-Y129 WeakPolarHBondContact CD-OH 3.47Å; R118-Y129 PolarHBondContact NE-OH 3.18Å; R118-Y129 VanDerWaalsContact NE-OH 3.09Å; A121-Y129 HydrophobicContact CB-CD2 4.13Å; A121-Y129 HydrophobicContact CB-CE1 4.07Å; A121-Y129 HydrophobicContact CB-CE2 3.45Å; A121-Y129 VanDerWaalsContact CB-CE2 3.45Å; A121-Y129 VanDerWaalsContact CB-CZ 3.4Å; A121-Y129 WeakPolarHBondContact CB-OH 3.31Å; D122-Y129 WeakPolarHBondContact OD1-CE1 3.35Å; D122-Y129 PolarHBondContact OD1-OH 2.92Å; V125-Y129 HydrophobicContact CB-CD1 4.25Å; V125-Y129 HydrophobicContact CG1-CD1 3.86Å; V125-Y129 HydrophobicContact CG1-CE1 4.27Å; V125-Y129 HydrophobicContact CG1-CG 4.1Å; V125-Y129 HydrophobicContact CG2-CD1 3.76Å; V125-Y129 HydrophobicContact CG2-CE1 3.93Å; Y129-L131 HydrophobicContact CD2-CD2 4.24Å; Y129-L131 HydrophobicContact CD2-CG 4.42Å; Y129-L131 HydrophobicContact CE2-CD1 4.4Å; Y129-L131 HydrophobicContact CE2-CD2 4.08Å; Y129-L131 HydrophobicContact CE2-CG 4.03Å; Y129-K461 PolarHBondContact N-O 3.39Å; Y129-F462 HydrophobicContact CD1-CB 4.41Å; Y129-F462 HydrophobicContact CD2-CD2 4.47Å; Y129-F462 HydrophobicContact CE1-CB 3.72Å; Y129-F462 HydrophobicContact CE1-CD2 4.45Å; Y129-F462 AromaticContact CE2-CD2 3.95Å; Y129-F462 HydrophobicContact CE2-CD2 3.95Å; Y129-F462 AromaticContact CZ-CD2 3.95Å; Y129-F462 CarbonylContact O-C 3.5Å; Y129-F462 WeakPolarHBondContact O-CA 3.45Å; Y129-I463 PolarHBondContact O-N 3.28Å |
| 130 | S | 98.9 | Very high | 98.7 | Very high | 0 Ų | 0 | 24.5 Ų | 24.5 | 0% | 0 | 12% | 0.124 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -148.3 | 178.3 | 166.8 | -155.8 | 0 | 0 | 0 | 0 | 110.1 | I98 I99 D100 I463 R465 | I98-S130 PolarHBondContact O-N 3.44Å; I99-S130 WeakPolarHBondContact CA-O 3.45Å; D100-S130 PolarHBondContact N-O 3.4Å; S130-I463 WeakPolarHBondContact CB-O 3.37Å; S130-I463 PolarHBondContact OG-O 3.45Å; S130-R465 PolarHBondContact OG-NH1 3.45Å |
| 131 | L | 98.9 | Very high | 98.7 | Very high | 0 Ų | 0 | 26.5 Ų | 26.5 | 0% | 0 | 14% | 0.136 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.1 | 132.4 | -175.5 | -63.8 | 175.5 | 0 | 0 | 0 | 112.9 | D100 F114 W117 R118 Y129 F462 R465 | D100-L131 HydrophobicContact CB-CD2 3.86Å; D100-L131 CarbonylContact O-C 2.99Å; D100-L131 VanDerWaalsContact O-CA 3.31Å; D100-L131 WeakPolarHBondContact O-CA 3.28Å; F114-L131 HydrophobicContact CD2-CB 4.29Å; F114-L131 HydrophobicContact CD2-CD1 3.78Å; F114-L131 HydrophobicContact CE2-CB 4.26Å; F114-L131 HydrophobicContact CE2-CD1 3.84Å; W117-L131 HydrophobicContact CB-CD1 3.85Å; W117-L131 HydrophobicContact CB-CD2 4.27Å; R118-L131 HydrophobicContact CG-CD1 3.94Å; Y129-L131 HydrophobicContact CD2-CD2 4.24Å; Y129-L131 HydrophobicContact CD2-CG 4.42Å; Y129-L131 HydrophobicContact CE2-CD1 4.4Å; Y129-L131 HydrophobicContact CE2-CD2 4.08Å; Y129-L131 HydrophobicContact CE2-CG 4.03Å; L131-F462 HydrophobicContact CB-CE2 4.36Å; L131-F462 HydrophobicContact CG-CE2 4.23Å; L131-R465 VanDerWaalsContact O-CZ 3.3Å; L131-R465 PolarHBondContact O-NH1 2.89Å; L131-R465 PolarHBondContact O-NH2 3.01Å |
| 132 | H | 98.9 | Very high | 98.7 | Very high | 0 Ų | 0 | 26.5 Ų | 26.5 | 0% | 0 | 14% | 0.136 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.9 | 153.5 | 153.2 | -57.9 | -44.9 | 0 | 0 | 0 | 108.5 | T66 I99 D100 F101 A102 S157 Q190 F386 | T66-H132 PolarHBondContact O-NE2 2.92Å; T66-H132 VanDerWaalsContact O-NE2 3.09Å; I99-H132 WeakPolarHBondContact CG2-CE1 3.47Å; I99-H132 VanDerWaalsContact CG2-NE2 3.3Å; I99-H132 WeakPolarHBondContact CG2-NE2 3.35Å; D100-H132 PolarHBondContact O-N 3.04Å; F101-H132 HydrophobicContact CD1-CB 3.53Å; F101-H132 HydrophobicContact CE1-CB 3.6Å; F101-H132 AromaticContact CE1-CD2 3.66Å; F101-H132 AromaticContact CE1-CG 3.88Å; F101-H132 AromaticContact CE2-CD2 3.57Å; F101-H132 HydrophobicContact CG-CB 4.09Å; F101-H132 HydrophobicContact CZ-CB 4.21Å; F101-H132 AromaticContact CZ-CD2 3.32Å; F101-H132 WeakPolarHBondContact CZ-CD2 3.26Å; A102-H132 PolarHBondContact N-O 2.77Å; H132-S157 PolarHBondContact ND1-OG 3.17Å; H132-Q190 PolarHBondContact CE1-NE2 3.49Å; H132-Q190 PolarHBondContact ND1-NE2 3.09Å; H132-Q190 VanDerWaalsContact ND1-NE2 3.14Å; H132-Q190 PolarHBondContact NE2-NE2 3.46Å; H132-F386 AromaticContact CE1-CD1 3.79Å; H132-F386 AromaticContact CE1-CE1 3.41Å; H132-F386 VanDerWaalsContact CE1-CE1 3.41Å; H132-F386 WeakPolarHBondContact CE1-CE1 3.43Å; H132-F386 AromaticContact CE1-CZ 3.64Å |
| 133 | V | 98.9 | Very high | 98.7 | Very high | 0 Ų | 0 | 27.6 Ų | 27.6 | 0% | 0 | 14% | 0.138 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.5 | 128.2 | 175.2 | -178.9 | 0 | 0 | 0 | 0 | 109.5 | A102 L110 F114 L149 V155 S157 F158 K159 | A102-V133 HydrophobicContact CB-CG2 4.34Å; A102-V133 WeakPolarHBondContact O-CA 3.29Å; L110-V133 HydrophobicContact CB-CG1 3.97Å; L110-V133 HydrophobicContact CD2-CG1 4.35Å; L110-V133 HydrophobicContact CG-CG1 4.07Å; F114-V133 HydrophobicContact CB-CG2 4.44Å; F114-V133 HydrophobicContact CD2-CG2 4.21Å; V133-L149 HydrophobicContact CB-CD1 4.3Å; V133-L149 HydrophobicContact CG1-CD1 3.92Å; V133-L149 HydrophobicContact CG2-CD1 4.17Å; V133-L149 HydrophobicContact CG2-CD2 4.42Å; V133-V155 HydrophobicContact CB-CG1 4.44Å; V133-V155 HydrophobicContact CG2-CG1 3.94Å; V133-V155 HydrophobicContact CG2-CG2 3.98Å; V133-S157 PolarHBondContact N-O 2.74Å; V133-F158 HydrophobicContact CB-CD1 4.08Å; V133-F158 HydrophobicContact CB-CE1 4.13Å; V133-F158 CarbonylContact O-C 3.12Å; V133-F158 VanDerWaalsContact O-CA 3.23Å; V133-F158 WeakPolarHBondContact O-CA 3.48Å; V133-K159 PolarHBondContact O-N 3.37Å |
| 134 | A | 98.9 | Very high | 98.7 | Very high | 0 Ų | 0 | 27.9 Ų | 27.9 | 0% | 0 | 13% | 0.132 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.6 | 140.3 | 178.8 | 0 | 0 | 0 | 0 | 0 | 113.1 | A102 I103 P104 T136 K159 F161 | A102-A134 PolarHBondContact O-N 3.39Å; I103-A134 HydrophobicContact CB-CB 4.26Å; I103-A134 HydrophobicContact CG1-CB 3.96Å; I103-A134 HydrophobicContact CG2-CB 4.1Å; P104-A134 VanDerWaalsContact CD-O 3.32Å; P104-A134 WeakPolarHBondContact CD-O 3.24Å; P104-A134 WeakPolarHBondContact CG-O 3.36Å; A134-T136 HydrophobicContact CB-CG2 4.05Å; A134-K159 CarbonylContact C-O 3.6Å; A134-K159 WeakPolarHBondContact CA-O 3.36Å; A134-K159 HydrophobicContact CB-CB 4.12Å; A134-K159 HydrophobicContact CB-CG 4.38Å; A134-F161 HydrophobicContact CB-CE2 3.91Å |
| 135 | V | 98.8 | Very high | 98.7 | Very high | 1 Ų | 1 | 26.3 Ų | 26.3 | 1% | 0.006 | 13% | 0.125 | C | C | . | . | trans | -103.9 | 90.6 | 171.8 | 178.6 | 0 | 0 | 0 | 0 | 106.7 | L110 W137 W138 V142 M146 F158 K159 M160 | L110-V135 HydrophobicContact CD2-CG2 4.18Å; V135-W137 VanDerWaalsContact CG1-O 3.27Å; V135-W137 WeakPolarHBondContact CG1-O 3.43Å; V135-W138 HydrophobicContact CG1-CE3 3.89Å; V135-W138 HydrophobicContact CG1-CZ3 4.23Å; V135-V142 HydrophobicContact CG1-CG1 3.91Å; V135-M146 HydrophobicContact CG2-CE 4.45Å; V135-M146 HydrophobicContact CG2-CG 4.42Å; V135-M146 HydrophobicContact CG2-SD 4.02Å; V135-F158 HydrophobicContact CG2-CB 4.03Å; V135-F158 HydrophobicContact CG2-CD1 4.1Å; V135-F158 HydrophobicContact CG2-CG 4.4Å; V135-K159 PolarHBondContact N-O 3.46Å; V135-M160 HydrophobicContact CB-CG 4.03Å; V135-M160 HydrophobicContact CB-SD 3.86Å; V135-M160 HydrophobicContact CG1-CG 4.46Å; V135-M160 HydrophobicContact CG2-SD 4.01Å | ||
| 136 | T | 98.4 | Very high | 98.7 | Very high | 0 Ų | 0 | 26.3 Ų | 26.3 | 0% | 0 | 13% | 0.125 | C | C | . | . | trans | -92 | -2.3 | -176.3 | 57.1 | 0 | 0 | 0 | 0 | 113.3 | I103 P104 A134 F161 Y168 | I103-T136 HydrophobicContact CG2-CG2 3.99Å; P104-T136 WeakPolarHBondContact O-CG2 3.38Å; P104-T136 PolarHBondContact O-OG1 2.86Å; A134-T136 HydrophobicContact CB-CG2 4.05Å; T136-F161 HydrophobicContact CG2-CE2 4.41Å; T136-Y168 HydrophobicContact CG2-CD1 3.45Å; T136-Y168 VanDerWaalsContact CG2-CD1 3.45Å; T136-Y168 HydrophobicContact CG2-CE1 4.11Å; T136-Y168 HydrophobicContact CG2-CG 4.03Å | ||
| 137 | W | 98.4 | Very high | 98.7 | Very high | 40 Ų | 40 | 29.5 Ų | 29.5 | 15% | 0.152 | 14% | 0.139 | C | C | . | . | S | Bend | trans | -161.5 | 169.8 | 176.6 | 67.2 | -70.8 | 0 | 0 | 0 | 109.7 | K106 G107 G108 V135 S139 V142 | K106-W137 HydrophobicContact CG-CB 4.05Å; G107-W137 VanDerWaalsContact CA-CE2 3.45Å; G108-W137 PolarHBondContact O-NE1 3.48Å; V135-W137 VanDerWaalsContact CG1-O 3.27Å; V135-W137 WeakPolarHBondContact CG1-O 3.43Å; W137-S139 VanDerWaalsContact CH2-OG 3.23Å; W137-S139 WeakPolarHBondContact CH2-OG 3.24Å; W137-S139 VanDerWaalsContact CZ3-CB 3.43Å; W137-S139 WeakPolarHBondContact CZ3-OG 3.47Å; W137-V142 HydrophobicContact CD2-CG2 3.7Å; W137-V142 VanDerWaalsContact CE2-CG2 3.42Å; W137-V142 HydrophobicContact CE3-CG2 4.06Å; W137-V142 HydrophobicContact CG-CG2 4.3Å; W137-V142 HydrophobicContact CH2-CG2 3.97Å; W137-V142 HydrophobicContact CZ2-CG2 3.57Å; W137-V142 HydrophobicContact CZ3-CG2 4.21Å |
| 138 | W | 98.4 | Very high | 98.7 | Very high | 60 Ų | 60 | 31.8 Ų | 31.8 | 23% | 0.227 | 15% | 0.151 | C | C | . | . | trans | -132.8 | 135.7 | -177.6 | -169.2 | -103.2 | 0 | 0 | 0 | 112.8 | V135 V142 K143 M146 E174 A177 A178 Q181 | V135-W138 HydrophobicContact CG1-CE3 3.89Å; V135-W138 HydrophobicContact CG1-CZ3 4.23Å; W138-V142 HydrophobicContact CE3-CB 4.44Å; W138-V142 HydrophobicContact CE3-CG1 3.78Å; W138-V142 HydrophobicContact CZ3-CG1 3.85Å; W138-K143 HydrophobicContact CH2-CB 4.22Å; W138-K143 HydrophobicContact CH2-CG 4.44Å; W138-K143 HydrophobicContact CZ2-CB 4.14Å; W138-K143 HydrophobicContact CZ2-CG 4.37Å; W138-M146 HydrophobicContact CH2-SD 3.92Å; W138-M146 HydrophobicContact CZ3-SD 3.53Å; W138-M146 VanDerWaalsContact CZ3-SD 3.53Å; W138-E174 HydrophobicContact CB-CB 3.93Å; W138-E174 HydrophobicContact CB-CG 3.91Å; W138-E174 HydrophobicContact CG-CB 4.42Å; W138-A177 HydrophobicContact CD2-CB 4.24Å; W138-A177 VanDerWaalsContact CE2-CB 3.46Å; W138-A177 HydrophobicContact CZ2-CB 3.72Å; W138-A177 VanDerWaalsContact NE1-CB 3.3Å; W138-A178 HydrophobicContact CE3-CB 3.87Å; W138-A178 HydrophobicContact CH2-CB 4.24Å; W138-A178 VanDerWaalsContact CZ3-CA 3.49Å; W138-A178 HydrophobicContact CZ3-CB 3.63Å; W138-Q181 HydrophobicContact CH2-CB 3.72Å; W138-Q181 HydrophobicContact CH2-CG 4.11Å; W138-Q181 HydrophobicContact CZ2-CB 4.42Å | ||
| 139 | S | 98.4 | Very high | 98.7 | Very high | 32 Ų | 32 | 31.8 Ų | 31.8 | 22% | 0.224 | 15% | 0.151 | C | C | . | . | S | Bend | trans | -165.2 | 174 | 173.5 | 67.5 | 0 | 0 | 0 | 0 | 110.1 | W137 Q141 V142 K143 | W137-S139 VanDerWaalsContact CH2-OG 3.23Å; W137-S139 WeakPolarHBondContact CH2-OG 3.24Å; W137-S139 VanDerWaalsContact CZ3-CB 3.43Å; W137-S139 WeakPolarHBondContact CZ3-OG 3.47Å; S139-Q141 PolarHBondContact O-N 3.11Å; S139-Q141 PolarHBondContact OG-N 2.86Å; S139-V142 PolarHBondContact O-N 3.45Å; S139-V142 PolarHBondContact OG-N 2.77Å; S139-K143 PolarHBondContact O-N 3.21Å |
| 140 | D | 98.4 | Very high | 98.7 | Very high | 137 Ų | 137 | 32.1 Ų | 32.1 | 73% | 0.733 | 15% | 0.153 | S | C | * | . | H | α-helix | trans | -62.4 | -29.9 | 172.8 | -68.5 | -28.5 | 0 | 0 | 0 | 112.5 | K143 E144 | D140-K143 WeakPolarHBondContact O-CB 3.38Å; D140-K143 PolarHBondContact O-N 2.81Å; D140-E144 PolarHBondContact O-N 2.75Å; D140-E144 VanDerWaalsContact O-N 3.11Å |
| 141 | Q | 98.4 | Very high | 98.7 | Very high | 96 Ų | 96 | 38 Ų | 38 | 45% | 0.449 | 18% | 0.181 | S | C | . | . | H | α-helix | trans | -62 | -51 | 172.5 | 178.1 | -175 | -5.7 | 0 | 0 | 110.6 | S139 K143 E144 E145 | S139-Q141 PolarHBondContact O-N 3.11Å; S139-Q141 PolarHBondContact OG-N 2.86Å; Q141-K143 PolarHBondContact O-N 3.02Å; Q141-E144 PolarHBondContact O-N 2.71Å; Q141-E145 HydrophobicContact CG-CG 4.28Å; Q141-E145 PolarHBondContact NE2-OE1 2.98Å; Q141-E145 WeakPolarHBondContact O-CG 3.43Å; Q141-E145 PolarHBondContact O-N 2.79Å |
| 142 | V | 98.8 | Very high | 98.7 | Very high | 0 Ų | 0 | 43.5 Ų | 43.5 | 0% | 0 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -57.6 | -42.1 | 178.3 | 172.5 | 0 | 0 | 0 | 0 | 110.5 | L110 V135 W137 W138 S139 E144 E145 M146 | L110-V142 HydrophobicContact CD1-CG1 4.25Å; L110-V142 HydrophobicContact CD1-CG2 4.03Å; L110-V142 HydrophobicContact CD2-CG1 3.9Å; V135-V142 HydrophobicContact CG1-CG1 3.91Å; W137-V142 HydrophobicContact CD2-CG2 3.7Å; W137-V142 VanDerWaalsContact CE2-CG2 3.42Å; W137-V142 HydrophobicContact CE3-CG2 4.06Å; W137-V142 HydrophobicContact CG-CG2 4.3Å; W137-V142 HydrophobicContact CH2-CG2 3.97Å; W137-V142 HydrophobicContact CZ2-CG2 3.57Å; W137-V142 HydrophobicContact CZ3-CG2 4.21Å; W138-V142 HydrophobicContact CE3-CB 4.44Å; W138-V142 HydrophobicContact CE3-CG1 3.78Å; W138-V142 HydrophobicContact CZ3-CG1 3.85Å; S139-V142 PolarHBondContact O-N 3.45Å; S139-V142 PolarHBondContact OG-N 2.77Å; V142-E144 PolarHBondContact O-N 3.36Å; V142-E145 PolarHBondContact O-N 2.96Å; V142-M146 HydrophobicContact CG1-CG 4.46Å; V142-M146 HydrophobicContact CG1-SD 4.21Å; V142-M146 VanDerWaalsContact O-CG 3.26Å; V142-M146 WeakPolarHBondContact O-CG 3.44Å; V142-M146 PolarHBondContact O-N 3.14Å |
| 143 | K | 98.8 | Very high | 98.6 | Very high | 81 Ų | 81 | 46.6 Ų | 46.6 | 35% | 0.352 | 22% | 0.223 | S | C | . | . | H | α-helix | trans | -57 | -47.9 | 177.2 | -171 | -174.2 | 179.2 | -177.5 | 0 | 112.1 | W138 S139 D140 Q141 K147 Q181 | W138-K143 HydrophobicContact CH2-CB 4.22Å; W138-K143 HydrophobicContact CH2-CG 4.44Å; W138-K143 HydrophobicContact CZ2-CB 4.14Å; W138-K143 HydrophobicContact CZ2-CG 4.37Å; S139-K143 PolarHBondContact O-N 3.21Å; D140-K143 WeakPolarHBondContact O-CB 3.38Å; D140-K143 PolarHBondContact O-N 2.81Å; Q141-K143 PolarHBondContact O-N 3.02Å; K143-K147 PolarHBondContact O-N 2.82Å; K143-Q181 VanDerWaalsContact CG-CD 3.43Å; K143-Q181 HydrophobicContact CG-CG 3.93Å; K143-Q181 PolarHBondContact O-NE2 3.4Å |
| 144 | E | 98.8 | Very high | 98.6 | Very high | 88 Ų | 88 | 47.1 Ų | 47.1 | 41% | 0.411 | 23% | 0.229 | S | C | . | . | H | α-helix | trans | -71.7 | -39.5 | 179.6 | -170.2 | 60.5 | -156.1 | 0 | 0 | 112 | D140 Q141 V142 M146 K147 I148 | D140-E144 PolarHBondContact O-N 2.75Å; D140-E144 VanDerWaalsContact O-N 3.11Å; Q141-E144 PolarHBondContact O-N 2.71Å; V142-E144 PolarHBondContact O-N 3.36Å; E144-M146 VanDerWaalsContact C-N 3.32Å; E144-M146 PolarHBondContact O-N 3.04Å; E144-K147 WeakPolarHBondContact O-CB 3.44Å; E144-K147 PolarHBondContact O-N 2.82Å; E144-K147 IonicContact OE1-NZ 2.98Å; E144-K147 PolarHBondContact OE1-NZ 2.62Å; E144-K147 IonicContact OE2-NZ 3.59Å; E144-I148 HydrophobicContact CG-CD1 4.25Å; E144-I148 PolarHBondContact O-N 2.74Å |
| 145 | E | 98.9 | Very high | 98.6 | Very high | 16 Ų | 16 | 47.1 Ų | 47.1 | 8% | 0.075 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -62.3 | -38.2 | 177 | -72.6 | -176.9 | 170 | 0 | 0 | 112.1 | S109 L110 I111 Q141 V142 K147 I148 L149 | S109-E145 WeakPolarHBondContact CA-OE2 3.39Å; S109-E145 WeakPolarHBondContact CB-OE1 3.27Å; S109-E145 PolarHBondContact OG-OE1 2.9Å; S109-E145 PolarHBondContact OG-OE2 3.3Å; L110-E145 HydrophobicContact CB-CB 4.28Å; L110-E145 WeakPolarHBondContact CB-OE2 3.36Å; L110-E145 PolarHBondContact N-OE2 3.24Å; I111-E145 HydrophobicContact CD1-CB 4.2Å; I111-E145 HydrophobicContact CD1-CG 3.87Å; I111-E145 HydrophobicContact CG1-CB 4.11Å; I111-E145 HydrophobicContact CG1-CG 4.08Å; Q141-E145 HydrophobicContact CG-CG 4.28Å; Q141-E145 PolarHBondContact NE2-OE1 2.98Å; Q141-E145 WeakPolarHBondContact O-CG 3.43Å; Q141-E145 PolarHBondContact O-N 2.79Å; V142-E145 PolarHBondContact O-N 2.96Å; E145-K147 VanDerWaalsContact C-N 3.27Å; E145-K147 PolarHBondContact O-N 2.81Å; E145-I148 PolarHBondContact O-N 2.78Å; E145-L149 WeakPolarHBondContact O-CB 3.21Å; E145-L149 VanDerWaalsContact O-CG 3.28Å; E145-L149 WeakPolarHBondContact O-CG 3.46Å; E145-L149 PolarHBondContact O-N 2.84Å |
| 146 | M | 98.9 | Very high | 98.6 | Very high | 0 Ų | 0 | 47.2 Ų | 47.2 | 0% | 0 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -58.1 | -40.6 | 172.2 | -73.2 | 172.4 | 70.3 | 0 | 0 | 111.8 | L110 V135 W138 V142 E144 L149 V150 F158 Q181 C182 I185 | L110-M146 HydrophobicContact CD2-CG 3.9Å; V135-M146 HydrophobicContact CG2-CE 4.45Å; V135-M146 HydrophobicContact CG2-CG 4.42Å; V135-M146 HydrophobicContact CG2-SD 4.02Å; W138-M146 HydrophobicContact CH2-SD 3.92Å; W138-M146 HydrophobicContact CZ3-SD 3.53Å; W138-M146 VanDerWaalsContact CZ3-SD 3.53Å; V142-M146 HydrophobicContact CG1-CG 4.46Å; V142-M146 HydrophobicContact CG1-SD 4.21Å; V142-M146 VanDerWaalsContact O-CG 3.26Å; V142-M146 WeakPolarHBondContact O-CG 3.44Å; V142-M146 PolarHBondContact O-N 3.14Å; E144-M146 VanDerWaalsContact C-N 3.32Å; E144-M146 PolarHBondContact O-N 3.04Å; M146-L149 PolarHBondContact O-N 2.65Å; M146-V150 WeakPolarHBondContact O-CG2 3.41Å; M146-V150 PolarHBondContact O-N 2.88Å; M146-V150 VanDerWaalsContact O-N 3.12Å; M146-F158 HydrophobicContact CB-CE1 4.01Å; M146-F158 HydrophobicContact CB-CE2 4.29Å; M146-F158 HydrophobicContact CB-CZ 3.8Å; M146-F158 HydrophobicContact CE-CB 4.25Å; M146-F158 HydrophobicContact CE-CD1 4.23Å; M146-F158 HydrophobicContact CE-CD2 3.71Å; M146-F158 HydrophobicContact CE-CE2 4.1Å; M146-F158 HydrophobicContact CE-CG 3.79Å; M146-F158 HydrophobicContact CG-CD1 3.97Å; M146-F158 HydrophobicContact CG-CE1 3.69Å; M146-F158 HydrophobicContact CG-CE2 4.48Å; M146-F158 HydrophobicContact CG-CG 4.47Å; M146-F158 HydrophobicContact CG-CZ 3.97Å; M146-F158 WeakPolarHBondContact O-CZ 3.28Å; M146-Q181 HydrophobicContact CB-CG 4.35Å; M146-Q181 HydrophobicContact CE-CB 4.13Å; M146-Q181 HydrophobicContact CE-CG 3.77Å; M146-Q181 HydrophobicContact SD-CB 4.45Å; M146-Q181 HydrophobicContact SD-CG 3.87Å; M146-C182 VanDerWaalsContact CE-SG 3.58Å; M146-I185 HydrophobicContact CB-CD1 3.88Å; M146-I185 HydrophobicContact CE-CD1 4.06Å |
| 147 | K | 98.8 | Very high | 98.6 | Very high | 68 Ų | 68 | 47.2 Ų | 47.2 | 30% | 0.296 | 23% | 0.229 | S | C | . | . | H | α-helix | trans | -67.2 | -44.5 | 178.3 | 177.6 | -176.8 | 157.5 | -143.6 | 0 | 111.3 | K143 E144 E145 L149 V150 Q151 I185 | K143-K147 PolarHBondContact O-N 2.82Å; E144-K147 WeakPolarHBondContact O-CB 3.44Å; E144-K147 PolarHBondContact O-N 2.82Å; E144-K147 IonicContact OE1-NZ 2.98Å; E144-K147 PolarHBondContact OE1-NZ 2.62Å; E144-K147 IonicContact OE2-NZ 3.59Å; E145-K147 VanDerWaalsContact C-N 3.27Å; E145-K147 PolarHBondContact O-N 2.81Å; K147-L149 PolarHBondContact O-N 3.42Å; K147-V150 PolarHBondContact O-N 3.3Å; K147-Q151 HydrophobicContact CG-CG 4.36Å; K147-Q151 WeakPolarHBondContact O-CB 3.41Å; K147-Q151 WeakPolarHBondContact O-CG 3.31Å; K147-Q151 PolarHBondContact O-N 3.41Å; K147-I185 HydrophobicContact CB-CG2 4.22Å; K147-I185 HydrophobicContact CG-CG2 4.49Å |
| 148 | I | 98.8 | Very high | 98.6 | Very high | 48 Ų | 48 | 45.3 Ų | 45.3 | 25% | 0.246 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -60.5 | -45 | 175.7 | -65.7 | 165.6 | 0 | 0 | 0 | 110.7 | I111 E144 E145 V150 Q151 D152 | I111-I148 HydrophobicContact CD1-CB 4Å; I111-I148 HydrophobicContact CD1-CD1 3.93Å; I111-I148 HydrophobicContact CD1-CG2 3.71Å; E144-I148 HydrophobicContact CG-CD1 4.25Å; E144-I148 PolarHBondContact O-N 2.74Å; E145-I148 PolarHBondContact O-N 2.78Å; I148-V150 PolarHBondContact O-N 2.7Å; I148-Q151 PolarHBondContact O-N 2.85Å; I148-D152 HydrophobicContact CG2-CB 4.47Å; I148-D152 WeakPolarHBondContact O-CB 3.28Å; I148-D152 PolarHBondContact O-N 3.11Å |
| 149 | L | 98.9 | Very high | 98.7 | Very high | 0 Ų | 0 | 42.6 Ų | 42.6 | 0% | 0 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -59 | -37.8 | 177.9 | -76.3 | 166.1 | 0 | 0 | 0 | 112.4 | L110 I111 F114 V133 E145 M146 K147 K153 G154 V155 F158 | L110-L149 HydrophobicContact CB-CD1 3.76Å; L110-L149 HydrophobicContact CD2-CD1 4.44Å; I111-L149 HydrophobicContact CG1-CD2 4.38Å; I111-L149 HydrophobicContact CG1-CG 4.19Å; F114-L149 HydrophobicContact CB-CD2 3.67Å; F114-L149 HydrophobicContact CD1-CD2 4.24Å; F114-L149 HydrophobicContact CD2-CD2 4.08Å; F114-L149 HydrophobicContact CG-CD2 3.73Å; V133-L149 HydrophobicContact CB-CD1 4.3Å; V133-L149 HydrophobicContact CG1-CD1 3.92Å; V133-L149 HydrophobicContact CG2-CD1 4.17Å; V133-L149 HydrophobicContact CG2-CD2 4.42Å; E145-L149 WeakPolarHBondContact O-CB 3.21Å; E145-L149 VanDerWaalsContact O-CG 3.28Å; E145-L149 WeakPolarHBondContact O-CG 3.46Å; E145-L149 PolarHBondContact O-N 2.84Å; M146-L149 PolarHBondContact O-N 2.65Å; K147-L149 PolarHBondContact O-N 3.42Å; L149-K153 HydrophobicContact CD2-CB 4.07Å; L149-K153 HydrophobicContact CD2-CG 4.08Å; L149-K153 CarbonylContact O-C 3.32Å; L149-K153 WeakPolarHBondContact O-CA 3.5Å; L149-K153 WeakPolarHBondContact O-CB 3.29Å; L149-K153 PolarHBondContact O-N 2.91Å; L149-G154 PolarHBondContact O-N 3.04Å; L149-G154 VanDerWaalsContact O-N 3.16Å; L149-V155 HydrophobicContact CB-CB 4.2Å; L149-V155 HydrophobicContact CB-CG2 4.4Å; L149-V155 HydrophobicContact CD2-CG2 4.32Å; L149-V155 PolarHBondContact O-N 3Å; L149-V155 VanDerWaalsContact O-N 3.11Å; L149-F158 HydrophobicContact CB-CE1 4.39Å; L149-F158 HydrophobicContact CB-CZ 4.18Å; L149-F158 HydrophobicContact CD1-CE1 3.94Å |
| 150 | V | 98.8 | Very high | 98.7 | Very high | 7 Ų | 7 | 41 Ų | 41 | 4% | 0.042 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -72.6 | -47.2 | 176.5 | 170.7 | 0 | 0 | 0 | 0 | 112.7 | M146 K147 I148 V155 F158 I185 A187 P467 | M146-V150 WeakPolarHBondContact O-CG2 3.41Å; M146-V150 PolarHBondContact O-N 2.88Å; M146-V150 VanDerWaalsContact O-N 3.12Å; K147-V150 PolarHBondContact O-N 3.3Å; I148-V150 PolarHBondContact O-N 2.7Å; V150-V155 VanDerWaalsContact CA-O 3.24Å; V150-V155 WeakPolarHBondContact CA-O 3.38Å; V150-V155 WeakPolarHBondContact CG2-O 3.33Å; V150-F158 HydrophobicContact CG2-CE2 3.69Å; V150-F158 HydrophobicContact CG2-CZ 3.91Å; V150-I185 HydrophobicContact CG1-CB 4.46Å; V150-I185 WeakPolarHBondContact CG1-O 3.42Å; V150-I185 HydrophobicContact CG2-CB 4.26Å; V150-I185 HydrophobicContact CG2-CD1 3.7Å; V150-I185 HydrophobicContact CG2-CG1 3.86Å; V150-A187 HydrophobicContact CG2-CB 4.3Å; V150-P467 HydrophobicContact CG1-CB 3.55Å; V150-P467 HydrophobicContact CG1-CG 3.64Å |
| 151 | Q | 98 | Very high | 98.7 | Very high | 125 Ų | 125 | 35.1 Ų | 35.1 | 58% | 0.584 | 17% | 0.169 | S | C | * | . | H | α-helix | trans | -73.4 | -41.8 | -173.5 | -70.2 | -179.9 | -23.6 | 0 | 0 | 111.9 | K147 I148 | K147-Q151 HydrophobicContact CG-CG 4.36Å; K147-Q151 WeakPolarHBondContact O-CB 3.41Å; K147-Q151 WeakPolarHBondContact O-CG 3.31Å; K147-Q151 PolarHBondContact O-N 3.41Å; I148-Q151 PolarHBondContact O-N 2.85Å |
| 152 | D | 98.3 | Very high | 98.7 | Very high | 115 Ų | 115 | 30.6 Ų | 30.6 | 62% | 0.615 | 15% | 0.148 | S | C | * | . | H | α-helix | trans | -114.8 | -23.1 | -164.7 | -57.3 | -26.8 | 0 | 0 | 0 | 113.4 | I148 | I148-D152 HydrophobicContact CG2-CB 4.47Å; I148-D152 WeakPolarHBondContact O-CB 3.28Å; I148-D152 PolarHBondContact O-N 3.11Å |
| 153 | K | 98.5 | Very high | 98.7 | Very high | 64 Ų | 64 | 30.6 Ų | 30.6 | 28% | 0.278 | 15% | 0.148 | S | C | . | . | S | Bend | trans | -111.6 | -3.9 | -172.1 | -52.6 | -63 | -169.1 | 165.9 | 0 | 114.4 | F114 E115 L149 F462 | F114-K153 HydrophobicContact CD1-CB 4.28Å; F114-K153 HydrophobicContact CD1-CD 4.43Å; F114-K153 HydrophobicContact CD1-CG 4.34Å; F114-K153 HydrophobicContact CE1-CB 3.77Å; F114-K153 HydrophobicContact CE1-CD 3.98Å; F114-K153 HydrophobicContact CE1-CG 4.09Å; F114-K153 HydrophobicContact CE2-CB 4.32Å; F114-K153 HydrophobicContact CZ-CB 3.78Å; E115-K153 VanDerWaalsContact OE1-CE 3.26Å; E115-K153 WeakPolarHBondContact OE1-CE 3.4Å; E115-K153 IonicContact OE1-NZ 2.7Å; E115-K153 PolarHBondContact OE1-NZ 2.99Å; L149-K153 HydrophobicContact CD2-CB 4.07Å; L149-K153 HydrophobicContact CD2-CG 4.08Å; L149-K153 CarbonylContact O-C 3.32Å; L149-K153 WeakPolarHBondContact O-CA 3.5Å; L149-K153 WeakPolarHBondContact O-CB 3.29Å; L149-K153 PolarHBondContact O-N 2.91Å; K153-F462 WeakPolarHBondContact O-CE1 3.3Å; K153-F462 WeakPolarHBondContact O-CZ 3.47Å |
| 154 | G | 98.3 | Very high | 98.5 | Very high | 11 Ų | 11 | 29 Ų | 29 | 11% | 0.113 | 14% | 0.14 | C | C | . | . | trans | 70.6 | 33.6 | 175.5 | 0 | 0 | 0 | 0 | 0 | 113.9 | L149 R465 | L149-G154 PolarHBondContact O-N 3.04Å; L149-G154 VanDerWaalsContact O-N 3.16Å; G154-R465 CarbonylContact C-O 3.43Å; G154-R465 PolarHBondContact O-N 2.68Å | ||
| 155 | V | 98.8 | Very high | 98.4 | Very high | 0 Ų | 0 | 28.7 Ų | 28.7 | 0% | 0 | 14% | 0.137 | C | C | . | . | trans | -97.7 | 135.7 | 171.3 | 177.2 | 0 | 0 | 0 | 0 | 108.7 | F114 V133 L149 V150 F158 | F114-V155 HydrophobicContact CD2-CG2 3.81Å; F114-V155 HydrophobicContact CE2-CG2 3.65Å; V133-V155 HydrophobicContact CB-CG1 4.44Å; V133-V155 HydrophobicContact CG2-CG1 3.94Å; V133-V155 HydrophobicContact CG2-CG2 3.98Å; L149-V155 HydrophobicContact CB-CB 4.2Å; L149-V155 HydrophobicContact CB-CG2 4.4Å; L149-V155 HydrophobicContact CD2-CG2 4.32Å; L149-V155 PolarHBondContact O-N 3Å; L149-V155 VanDerWaalsContact O-N 3.11Å; V150-V155 VanDerWaalsContact CA-O 3.24Å; V150-V155 WeakPolarHBondContact CA-O 3.38Å; V150-V155 WeakPolarHBondContact CG2-O 3.33Å; V155-F158 HydrophobicContact CG1-CE1 4.26Å; V155-F158 HydrophobicContact CG1-CZ 4.13Å | ||
| 156 | N | 98.6 | Very high | 98.1 | Very high | 4 Ų | 4 | 34.5 Ų | 34.5 | 2% | 0.021 | 17% | 0.169 | C | C | . | . | trans | -132.5 | 24.1 | 176.5 | 69.6 | -3.9 | 0 | 0 | 0 | 113.2 | A187 I188 F386 R465 K466 | N156-A187 CarbonylContact O-C 3.48Å; N156-A187 WeakPolarHBondContact O-CA 3.2Å; N156-A187 WeakPolarHBondContact O-CB 3.2Å; N156-I188 PolarHBondContact O-N 3.02Å; N156-F386 PolarHBondContact ND2-O 2.91Å; N156-R465 HydrophobicContact CB-CB 4.37Å; N156-R465 WeakPolarHBondContact ND2-CB 3.46Å; N156-R465 PolarHBondContact OD1-NE 3.19Å; N156-R465 PolarHBondContact OD1-NH2 3.46Å; N156-K466 PolarHBondContact ND2-O 2.89Å | ||
| 157 | S | 98.9 | Very high | 97.8 | Very high | 0 Ų | 0 | 38.3 Ų | 38.3 | 0% | 0 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -156.9 | 131 | -174.1 | 56.2 | 0 | 0 | 0 | 0 | 110.8 | H132 V133 I188 R465 | H132-S157 PolarHBondContact ND1-OG 3.17Å; V133-S157 PolarHBondContact N-O 2.74Å; S157-I188 VanDerWaalsContact CA-O 3.25Å; S157-I188 WeakPolarHBondContact CA-O 3.31Å; S157-R465 PolarHBondContact OG-NH2 3.26Å |
| 158 | F | 98.9 | Very high | 97.7 | Very high | 0 Ų | 0 | 35.9 Ų | 35.9 | 0% | 0 | 18% | 0.178 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.4 | 140.7 | -176.6 | -66 | -83.7 | 0 | 0 | 0 | 111.5 | V133 V135 M146 L149 V150 V155 M160 I185 A187 I188 Q190 | V133-F158 HydrophobicContact CB-CD1 4.08Å; V133-F158 HydrophobicContact CB-CE1 4.13Å; V133-F158 CarbonylContact O-C 3.12Å; V133-F158 VanDerWaalsContact O-CA 3.23Å; V133-F158 WeakPolarHBondContact O-CA 3.48Å; V135-F158 HydrophobicContact CG2-CB 4.03Å; V135-F158 HydrophobicContact CG2-CD1 4.1Å; V135-F158 HydrophobicContact CG2-CG 4.4Å; M146-F158 HydrophobicContact CB-CE1 4.01Å; M146-F158 HydrophobicContact CB-CE2 4.29Å; M146-F158 HydrophobicContact CB-CZ 3.8Å; M146-F158 HydrophobicContact CE-CB 4.25Å; M146-F158 HydrophobicContact CE-CD1 4.23Å; M146-F158 HydrophobicContact CE-CD2 3.71Å; M146-F158 HydrophobicContact CE-CE2 4.1Å; M146-F158 HydrophobicContact CE-CG 3.79Å; M146-F158 HydrophobicContact CG-CD1 3.97Å; M146-F158 HydrophobicContact CG-CE1 3.69Å; M146-F158 HydrophobicContact CG-CE2 4.48Å; M146-F158 HydrophobicContact CG-CG 4.47Å; M146-F158 HydrophobicContact CG-CZ 3.97Å; M146-F158 WeakPolarHBondContact O-CZ 3.28Å; L149-F158 HydrophobicContact CB-CE1 4.39Å; L149-F158 HydrophobicContact CB-CZ 4.18Å; L149-F158 HydrophobicContact CD1-CE1 3.94Å; V150-F158 HydrophobicContact CG2-CE2 3.69Å; V150-F158 HydrophobicContact CG2-CZ 3.91Å; V155-F158 HydrophobicContact CG1-CE1 4.26Å; V155-F158 HydrophobicContact CG1-CZ 4.13Å; F158-M160 HydrophobicContact CB-SD 4.14Å; F158-I185 HydrophobicContact CD2-CD1 4.35Å; F158-I185 HydrophobicContact CE2-CD1 3.64Å; F158-I185 HydrophobicContact CZ-CD1 4.29Å; F158-A187 HydrophobicContact CD2-CB 3.66Å; F158-A187 HydrophobicContact CE2-CB 3.65Å; F158-I188 PolarHBondContact N-O 2.89Å; F158-Q190 PolarHBondContact O-N 3.21Å |
| 159 | K | 98.9 | Very high | 97.7 | Very high | 2 Ų | 2 | 34.7 Ų | 34.7 | 1% | 0.009 | 17% | 0.171 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.2 | 123.8 | -172.2 | 175.2 | 62.3 | 173 | 179.6 | 0 | 112.2 | F101 V133 A134 V135 F161 Q190 V191 H192 V247 | F101-K159 HydrophobicContact CD1-CB 3.74Å; F101-K159 HydrophobicContact CD1-CD 4.43Å; F101-K159 HydrophobicContact CD1-CG 3.74Å; F101-K159 HydrophobicContact CE1-CB 3.63Å; F101-K159 HydrophobicContact CE1-CD 3.8Å; F101-K159 HydrophobicContact CE1-CG 3.59Å; V133-K159 PolarHBondContact O-N 3.37Å; A134-K159 CarbonylContact C-O 3.6Å; A134-K159 WeakPolarHBondContact CA-O 3.36Å; A134-K159 HydrophobicContact CB-CB 4.12Å; A134-K159 HydrophobicContact CB-CG 4.38Å; V135-K159 PolarHBondContact N-O 3.46Å; K159-F161 HydrophobicContact CG-CE2 3.95Å; K159-F161 HydrophobicContact CG-CZ 4Å; K159-Q190 WeakPolarHBondContact CA-O 3.29Å; K159-Q190 HydrophobicContact CB-CB 4.44Å; K159-Q190 HydrophobicContact CD-CB 3.9Å; K159-V191 PolarHBondContact NZ-O 3.31Å; K159-H192 VanDerWaalsContact NZ-CA 3.31Å; K159-H192 VanDerWaalsContact NZ-CB 3.3Å; K159-V247 HydrophobicContact CD-CG1 4.46Å |
| 160 | M | 98.9 | Very high | 97.6 | Very high | 0 Ų | 0 | 34.8 Ų | 34.8 | 0% | 0 | 17% | 0.172 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.3 | 153.1 | 177.5 | -71.6 | 67.2 | 76.4 | 0 | 0 | 110 | V135 F158 V170 L175 A178 F179 A189 Q190 V191 H192 | V135-M160 HydrophobicContact CB-CG 4.03Å; V135-M160 HydrophobicContact CB-SD 3.86Å; V135-M160 HydrophobicContact CG1-CG 4.46Å; V135-M160 HydrophobicContact CG2-SD 4.01Å; F158-M160 HydrophobicContact CB-SD 4.14Å; M160-V170 HydrophobicContact CB-CG2 4.06Å; M160-V170 HydrophobicContact CG-CG2 4.34Å; M160-L175 HydrophobicContact CB-CD2 3.71Å; M160-L175 HydrophobicContact CG-CD2 4.11Å; M160-A178 HydrophobicContact CG-CB 4.31Å; M160-A178 HydrophobicContact SD-CB 4.46Å; M160-F179 HydrophobicContact CE-CD1 3.59Å; M160-F179 HydrophobicContact CE-CE1 3.4Å; M160-F179 VanDerWaalsContact CE-CE1 3.4Å; M160-A189 HydrophobicContact CE-CB 3.55Å; M160-Q190 PolarHBondContact N-O 3.14Å; M160-V191 HydrophobicContact CB-CG2 4.48Å; M160-V191 WeakPolarHBondContact O-CA 3.47Å; M160-H192 PolarHBondContact O-N 3Å |
| 161 | F | 98.8 | Very high | 97.6 | Very high | 13 Ų | 13 | 42.6 Ų | 42.6 | 6% | 0.057 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.9 | 128.6 | 179.2 | -62.3 | -95.2 | 0 | 0 | 0 | 110.3 | I103 A134 T136 K159 Y164 Y168 M169 V170 H192 | I103-F161 HydrophobicContact CD1-CZ 4.32Å; A134-F161 HydrophobicContact CB-CE2 3.91Å; T136-F161 HydrophobicContact CG2-CE2 4.41Å; K159-F161 HydrophobicContact CG-CE2 3.95Å; K159-F161 HydrophobicContact CG-CZ 4Å; F161-Y164 AromaticContact CD1-CD2 3.7Å; F161-Y164 HydrophobicContact CD1-CD2 3.7Å; F161-Y164 AromaticContact CD1-CE2 3.82Å; F161-Y164 HydrophobicContact CD1-CE2 3.82Å; F161-Y164 HydrophobicContact CE1-CD2 4.29Å; F161-Y164 HydrophobicContact CE1-CE2 4.07Å; F161-Y164 HydrophobicContact CG-CD2 4.39Å; F161-Y168 HydrophobicContact CD2-CG 4.4Å; F161-M169 WeakPolarHBondContact O-CA 3.17Å; F161-V170 WeakPolarHBondContact O-CG2 3.44Å; F161-V170 PolarHBondContact O-N 2.95Å; F161-H192 HydrophobicContact CD1-CB 3.54Å; F161-H192 AromaticContact CD1-CG 3.89Å; F161-H192 HydrophobicContact CE1-CB 4.06Å; F161-H192 HydrophobicContact CG-CB 4.3Å |
| 162 | M | 98.8 | Very high | 97.6 | Very high | 0 Ų | 0 | 40 Ų | 40 | 0% | 0 | 19% | 0.191 | C | C | . | . | S | Bend | trans | -93.2 | -9.8 | 167.8 | -62.4 | 177.1 | 72.2 | 0 | 0 | 111.9 | M169 L175 V191 H192 A193 E194 G196 A229 R232 A233 | M162-M169 WeakPolarHBondContact O-CE 3.32Å; M162-M169 WeakPolarHBondContact O-CG 3.34Å; M162-L175 HydrophobicContact CE-CD1 4.35Å; M162-L175 HydrophobicContact CG-CD1 3.95Å; M162-L175 HydrophobicContact SD-CD1 4.3Å; M162-V191 HydrophobicContact CG-CG1 3.8Å; M162-V191 HydrophobicContact SD-CG1 3.61Å; M162-H192 WeakPolarHBondContact CB-O 3.31Å; M162-H192 PolarHBondContact N-O 3.44Å; M162-A193 HydrophobicContact SD-CB 4.47Å; M162-E194 CarbonylContact C-O 3.42Å; M162-E194 VanDerWaalsContact CB-O 3.23Å; M162-E194 WeakPolarHBondContact CB-O 3.4Å; M162-G196 WeakPolarHBondContact O-CA 3.5Å; M162-G196 PolarHBondContact O-N 3.03Å; M162-A229 HydrophobicContact CB-CB 4.48Å; M162-A229 HydrophobicContact CE-CB 3.71Å; M162-A229 WeakPolarHBondContact CE-O 3.45Å; M162-A229 HydrophobicContact SD-CB 3.95Å; M162-A229 VanDerWaalsContact SD-O 3.4Å; M162-R232 HydrophobicContact CE-CB 4.1Å; M162-R232 HydrophobicContact CE-CG 4Å; M162-A233 HydrophobicContact SD-CB 3.8Å |
| 163 | A | 97.6 | Very high | 97.6 | Very high | 1 Ų | 1 | 41.5 Ų | 41.5 | 1% | 0.008 | 20% | 0.198 | C | C | . | . | S | Bend | trans | -107.2 | -173.2 | 175.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | M169 H192 E194 I199 | A163-M169 VanDerWaalsContact O-CA 3.28Å; A163-M169 WeakPolarHBondContact O-CA 3.5Å; A163-M169 VanDerWaalsContact O-CB 3.24Å; A163-M169 WeakPolarHBondContact O-CB 3.23Å; A163-M169 PolarHBondContact O-N 3.29Å; A163-H192 WeakPolarHBondContact CB-CD2 3.46Å; A163-H192 WeakPolarHBondContact CB-NE2 3.33Å; A163-E194 HydrophobicContact CB-CB 4.11Å; A163-E194 PolarHBondContact N-O 3.12Å; A163-I199 HydrophobicContact CB-CD1 3.83Å |
| 164 | Y | 96.1 | Very high | 97.7 | Very high | 48 Ų | 48 | 40.3 Ų | 40.3 | 19% | 0.188 | 19% | 0.193 | C | C | . | . | S | Bend | trans | 58 | 58.9 | -176.2 | -51.4 | -71.5 | 0 | 0 | 0 | 111.9 | F74 F161 D166 L167 Y168 M169 H192 | F74-Y164 AromaticContact CZ-CE1 3.9Å; F74-Y164 HydrophobicContact CZ-CE1 3.9Å; F161-Y164 AromaticContact CD1-CD2 3.7Å; F161-Y164 HydrophobicContact CD1-CD2 3.7Å; F161-Y164 AromaticContact CD1-CE2 3.82Å; F161-Y164 HydrophobicContact CD1-CE2 3.82Å; F161-Y164 HydrophobicContact CE1-CD2 4.29Å; F161-Y164 HydrophobicContact CE1-CE2 4.07Å; F161-Y164 HydrophobicContact CG-CD2 4.39Å; Y164-D166 PolarHBondContact O-N 2.89Å; Y164-L167 PolarHBondContact O-N 3.38Å; Y164-Y168 HydrophobicContact CD2-CD2 4.08Å; Y164-Y168 HydrophobicContact CG-CD2 4.2Å; Y164-Y168 PolarHBondContact O-N 3.44Å; Y164-M169 PolarHBondContact O-N 3.46Å; Y164-M169 VanDerWaalsContact O-N 3.11Å; Y164-H192 AromaticContact CE2-CE1 3.88Å |
| 165 | K | 95.1 | Very high | 97.7 | Very high | 81 Ų | 81 | 39.8 Ų | 39.8 | 35% | 0.352 | 19% | 0.188 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -47.8 | 138 | 175.9 | -175.4 | 173 | 179.1 | 162.3 | 0 | 110.6 | L167 M169 D197 A200 | K165-L167 PolarHBondContact O-N 2.9Å; K165-M169 HydrophobicContact CB-SD 4.1Å; K165-M169 HydrophobicContact CG-SD 4.37Å; K165-D197 WeakPolarHBondContact CD-OD1 3.27Å; K165-D197 WeakPolarHBondContact CE-OD1 3.44Å; K165-D197 IonicContact NZ-OD1 2.97Å; K165-D197 PolarHBondContact NZ-OD1 3.03Å; K165-A200 HydrophobicContact CB-CB 4.5Å; K165-A200 HydrophobicContact CD-CB 4.07Å |
| 166 | D | 92.4 | Very high | 97.7 | Very high | 137 Ų | 137 | 45.4 Ų | 45.4 | 73% | 0.733 | 21% | 0.21 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 65.7 | -10.2 | -177.1 | -52.6 | -41.9 | 0 | 0 | 0 | 116.5 | Y164 | Y164-D166 PolarHBondContact O-N 2.89Š|
| 167 | L | 93.4 | Very high | 97.7 | Very high | 80 Ų | 80 | 46.6 Ų | 46.6 | 42% | 0.419 | 22% | 0.22 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -104.1 | -65.1 | 178.7 | -176.2 | 65.1 | 0 | 0 | 0 | 112.5 | Y164 K165 | Y164-L167 PolarHBondContact O-N 3.38Å; K165-L167 PolarHBondContact O-N 2.9Å |
| 168 | Y | 96.4 | Very high | 97.7 | Very high | 18 Ų | 18 | 46.6 Ų | 46.6 | 7% | 0.071 | 22% | 0.221 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -122.8 | -14 | -176.8 | -56.4 | -43.3 | 0 | 0 | 0 | 113.7 | F74 I103 T136 F161 Y164 V170 | F74-Y168 HydrophobicContact CD2-CE2 4.3Å; F74-Y168 AromaticContact CE2-CE2 3.9Å; F74-Y168 HydrophobicContact CE2-CE2 3.9Å; I103-Y168 HydrophobicContact CG2-CD1 4.48Å; I103-Y168 HydrophobicContact CG2-CE1 3.96Å; I103-Y168 HydrophobicContact CG2-CE2 4.48Å; T136-Y168 HydrophobicContact CG2-CD1 3.45Å; T136-Y168 VanDerWaalsContact CG2-CD1 3.45Å; T136-Y168 HydrophobicContact CG2-CE1 4.11Å; T136-Y168 HydrophobicContact CG2-CG 4.03Å; F161-Y168 HydrophobicContact CD2-CG 4.4Å; Y164-Y168 HydrophobicContact CD2-CD2 4.08Å; Y164-Y168 HydrophobicContact CG-CD2 4.2Å; Y164-Y168 PolarHBondContact O-N 3.44Å; Y168-V170 PolarHBondContact O-N 2.75Å |
| 169 | M | 98.3 | Very high | 97.7 | Very high | 22 Ų | 22 | 46.6 Ų | 46.6 | 11% | 0.108 | 22% | 0.221 | C | C | . | . | B | Isolated β-bridge | trans | -57.7 | 126.7 | -175.9 | -171.4 | 175.5 | 176.4 | 0 | 0 | 111.7 | F161 M162 A163 Y164 K165 | F161-M169 WeakPolarHBondContact O-CA 3.17Å; M162-M169 WeakPolarHBondContact O-CE 3.32Å; M162-M169 WeakPolarHBondContact O-CG 3.34Å; A163-M169 VanDerWaalsContact O-CA 3.28Å; A163-M169 WeakPolarHBondContact O-CA 3.5Å; A163-M169 VanDerWaalsContact O-CB 3.24Å; A163-M169 WeakPolarHBondContact O-CB 3.23Å; A163-M169 PolarHBondContact O-N 3.29Å; Y164-M169 PolarHBondContact O-N 3.46Å; Y164-M169 VanDerWaalsContact O-N 3.11Å; K165-M169 HydrophobicContact CB-SD 4.1Å; K165-M169 HydrophobicContact CG-SD 4.37Å |
| 170 | V | 98.1 | Very high | 97.7 | Very high | 2 Ų | 2 | 48.3 Ų | 48.3 | 1% | 0.012 | 23% | 0.233 | C | C | . | . | trans | -105.8 | 145.2 | 166.8 | -67.9 | 0 | 0 | 0 | 0 | 110 | M160 F161 Y168 E174 L175 | M160-V170 HydrophobicContact CB-CG2 4.06Å; M160-V170 HydrophobicContact CG-CG2 4.34Å; F161-V170 WeakPolarHBondContact O-CG2 3.44Å; F161-V170 PolarHBondContact O-N 2.95Å; Y168-V170 PolarHBondContact O-N 2.75Å; V170-E174 WeakPolarHBondContact CA-OE2 3.3Å; V170-E174 HydrophobicContact CB-CB 4.01Å; V170-L175 HydrophobicContact CG2-CD2 3.49Å; V170-L175 VanDerWaalsContact CG2-CD2 3.49Å; V170-L175 HydrophobicContact CG2-CG 3.81Å | ||
| 171 | R | 98.4 | Very high | 97.7 | Very high | 172 Ų | 172 | 48.6 Ų | 48.6 | 65% | 0.649 | 23% | 0.234 | S | C | * | . | trans | -86.6 | 167 | -179 | -63.4 | 175.2 | -65.7 | 170.7 | 2.1 | 111.2 | L173 E174 L175 | R171-L173 VanDerWaalsContact C-N 3.29Å; R171-L173 PolarHBondContact O-N 3.42Å; R171-L173 VanDerWaalsContact O-N 3.16Å; R171-E174 IonicContact CZ-OE1 3.95Å; R171-E174 PolarHBondContact N-OE2 3.18Å; R171-E174 IonicContact NE-OE1 3.81Å; R171-E174 PolarHBondContact NE-OE1 3.13Å; R171-E174 IonicContact NE-OE2 3.17Å; R171-E174 IonicContact NH2-OE1 3.67Å; R171-E174 PolarHBondContact NH2-OE1 2.74Å; R171-E174 CarbonylContact O-C 3.52Å; R171-E174 WeakPolarHBondContact O-CA 3.43Å; R171-E174 WeakPolarHBondContact O-CB 3.46Å; R171-E174 PolarHBondContact O-N 3.03Å; R171-L175 PolarHBondContact O-N 3.22Å | ||
| 172 | D | 98.8 | Very high | 97.7 | Very high | 69 Ų | 69 | 48 Ų | 48 | 37% | 0.369 | 23% | 0.231 | S | C | . | . | H | α-helix | trans | -55.9 | -37.8 | -174.9 | -66.6 | -9.3 | 0 | 0 | 0 | 114.4 | E174 L175 Y176 R232 I236 | D172-E174 VanDerWaalsContact C-N 3.35Å; D172-L175 PolarHBondContact O-N 3Å; D172-Y176 WeakPolarHBondContact O-CB 3.3Å; D172-Y176 PolarHBondContact O-N 2.91Å; D172-R232 IonicContact OD1-CZ 3.37Å; D172-R232 IonicContact OD1-NH1 2.98Å; D172-R232 PolarHBondContact OD1-NH1 3.24Å; D172-R232 IonicContact OD2-NH1 3.75Å; D172-I236 HydrophobicContact CB-CD1 4.02Å |
| 173 | L | 98.4 | Very high | 97.7 | Very high | 148 Ų | 148 | 50.3 Ų | 50.3 | 78% | 0.775 | 24% | 0.241 | S | C | * | . | H | α-helix | trans | -67.1 | -36.1 | 175.3 | -69.9 | 178.2 | 0 | 0 | 0 | 112.6 | R171 A177 | R171-L173 VanDerWaalsContact C-N 3.29Å; R171-L173 PolarHBondContact O-N 3.42Å; R171-L173 VanDerWaalsContact O-N 3.16Å; L173-A177 PolarHBondContact O-N 3.47Å; L173-A177 VanDerWaalsContact O-N 3.11Å |
| 174 | E | 98.6 | Very high | 97.8 | Very high | 38 Ų | 38 | 56.4 Ų | 56.4 | 18% | 0.178 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -72.9 | -38.6 | 177.7 | -63.4 | 160.7 | 175.3 | 0 | 0 | 109.9 | W138 V170 R171 D172 A177 A178 | W138-E174 HydrophobicContact CB-CB 3.93Å; W138-E174 HydrophobicContact CB-CG 3.91Å; W138-E174 HydrophobicContact CG-CB 4.42Å; V170-E174 WeakPolarHBondContact CA-OE2 3.3Å; V170-E174 HydrophobicContact CB-CB 4.01Å; R171-E174 IonicContact CZ-OE1 3.95Å; R171-E174 PolarHBondContact N-OE2 3.18Å; R171-E174 IonicContact NE-OE1 3.81Å; R171-E174 PolarHBondContact NE-OE1 3.13Å; R171-E174 IonicContact NE-OE2 3.17Å; R171-E174 IonicContact NH2-OE1 3.67Å; R171-E174 PolarHBondContact NH2-OE1 2.74Å; R171-E174 CarbonylContact O-C 3.52Å; R171-E174 WeakPolarHBondContact O-CA 3.43Å; R171-E174 WeakPolarHBondContact O-CB 3.46Å; R171-E174 PolarHBondContact O-N 3.03Å; D172-E174 VanDerWaalsContact C-N 3.35Å; E174-A177 PolarHBondContact O-N 3.28Å; E174-A178 VanDerWaalsContact O-CB 3.29Å; E174-A178 WeakPolarHBondContact O-CB 3.47Å; E174-A178 PolarHBondContact O-N 3.46Å |
| 175 | L | 98.8 | Very high | 97.9 | Very high | 0 Ų | 0 | 54.8 Ų | 54.8 | 0% | 0 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -60.8 | -45.9 | 170.5 | -72.7 | 171.3 | 0 | 0 | 0 | 111.9 | M160 M162 V170 R171 D172 A177 A178 F179 I236 | M160-L175 HydrophobicContact CB-CD2 3.71Å; M160-L175 HydrophobicContact CG-CD2 4.11Å; M162-L175 HydrophobicContact CE-CD1 4.35Å; M162-L175 HydrophobicContact CG-CD1 3.95Å; M162-L175 HydrophobicContact SD-CD1 4.3Å; V170-L175 HydrophobicContact CG2-CD2 3.49Å; V170-L175 VanDerWaalsContact CG2-CD2 3.49Å; V170-L175 HydrophobicContact CG2-CG 3.81Å; R171-L175 PolarHBondContact O-N 3.22Å; D172-L175 PolarHBondContact O-N 3Å; L175-A177 VanDerWaalsContact C-N 3.31Å; L175-A177 PolarHBondContact O-N 3Å; L175-A178 PolarHBondContact O-N 2.9Å; L175-F179 HydrophobicContact CB-CE2 4.33Å; L175-F179 HydrophobicContact CB-CZ 4.25Å; L175-F179 HydrophobicContact CD2-CE1 3.96Å; L175-F179 HydrophobicContact CD2-CZ 3.83Å; L175-F179 WeakPolarHBondContact O-CB 3.38Å; L175-F179 WeakPolarHBondContact O-CD1 3.45Å; L175-F179 WeakPolarHBondContact O-CG 3.47Å; L175-F179 PolarHBondContact O-N 2.84Å; L175-I236 HydrophobicContact CB-CD1 4.31Å; L175-I236 HydrophobicContact CB-CG2 4.43Å; L175-I236 HydrophobicContact CD1-CD1 4.15Å |
| 176 | Y | 98.9 | Very high | 98.1 | Very high | 119 Ų | 119 | 51 Ų | 51 | 47% | 0.467 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -57.3 | -46 | 177 | -178.8 | -82.9 | 0 | 0 | 0 | 111.3 | D172 S180 I236 V240 | D172-Y176 WeakPolarHBondContact O-CB 3.3Å; D172-Y176 PolarHBondContact O-N 2.91Å; Y176-S180 WeakPolarHBondContact O-CB 3.47Å; Y176-S180 PolarHBondContact O-N 3.41Å; Y176-S180 PolarHBondContact O-OG 3.1Å; Y176-I236 HydrophobicContact CD2-CG2 4.3Å; Y176-V240 HydrophobicContact CD1-CG1 4.32Å; Y176-V240 HydrophobicContact CD2-CG1 3.53Å; Y176-V240 HydrophobicContact CE1-CG1 4.01Å; Y176-V240 HydrophobicContact CE2-CG1 3.16Å; Y176-V240 HydrophobicContact CG-CG1 4.1Å; Y176-V240 VanDerWaalsContact CZ-CG1 3.42Å |
| 177 | A | 98.9 | Very high | 98.4 | Very high | 28 Ų | 28 | 44.5 Ų | 44.5 | 23% | 0.231 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -67.4 | -44.3 | 178.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | W138 L173 E174 L175 S180 Q181 | W138-A177 HydrophobicContact CD2-CB 4.24Å; W138-A177 VanDerWaalsContact CE2-CB 3.46Å; W138-A177 HydrophobicContact CZ2-CB 3.72Å; W138-A177 VanDerWaalsContact NE1-CB 3.3Å; L173-A177 PolarHBondContact O-N 3.47Å; L173-A177 VanDerWaalsContact O-N 3.11Å; E174-A177 PolarHBondContact O-N 3.28Å; L175-A177 VanDerWaalsContact C-N 3.31Å; L175-A177 PolarHBondContact O-N 3Å; A177-S180 WeakPolarHBondContact O-CB 3.44Å; A177-S180 PolarHBondContact O-N 2.98Å; A177-Q181 PolarHBondContact O-N 2.9Å |
| 178 | A | 98.8 | Very high | 98.6 | Very high | 1 Ų | 1 | 40.9 Ų | 40.9 | 1% | 0.008 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -63.1 | -43 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.5 | W138 M160 E174 L175 Q181 C182 | W138-A178 HydrophobicContact CE3-CB 3.87Å; W138-A178 HydrophobicContact CH2-CB 4.24Å; W138-A178 VanDerWaalsContact CZ3-CA 3.49Å; W138-A178 HydrophobicContact CZ3-CB 3.63Å; M160-A178 HydrophobicContact CG-CB 4.31Å; M160-A178 HydrophobicContact SD-CB 4.46Å; E174-A178 VanDerWaalsContact O-CB 3.29Å; E174-A178 WeakPolarHBondContact O-CB 3.47Å; E174-A178 PolarHBondContact O-N 3.46Å; L175-A178 PolarHBondContact O-N 2.9Å; A178-Q181 PolarHBondContact O-N 2.74Å; A178-C182 WeakPolarHBondContact O-CB 3.35Å; A178-C182 PolarHBondContact O-N 3.28Å; A178-C182 PolarHBondContact O-SG 3.46Å; A178-C182 VanDerWaalsContact O-SG 3.37Å |
| 179 | F | 98.9 | Very high | 98.7 | Very high | 0 Ų | 0 | 40 Ų | 40 | 0% | 0 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -67 | -39.4 | 176.6 | -65.7 | -7.9 | 0 | 0 | 0 | 111.8 | M160 L175 Q181 C182 K183 A189 V191 I236 A237 V240 C242 L244 | M160-F179 HydrophobicContact CE-CD1 3.59Å; M160-F179 HydrophobicContact CE-CE1 3.4Å; M160-F179 VanDerWaalsContact CE-CE1 3.4Å; L175-F179 HydrophobicContact CB-CE2 4.33Å; L175-F179 HydrophobicContact CB-CZ 4.25Å; L175-F179 HydrophobicContact CD2-CE1 3.96Å; L175-F179 HydrophobicContact CD2-CZ 3.83Å; L175-F179 WeakPolarHBondContact O-CB 3.38Å; L175-F179 WeakPolarHBondContact O-CD1 3.45Å; L175-F179 WeakPolarHBondContact O-CG 3.47Å; L175-F179 PolarHBondContact O-N 2.84Å; F179-Q181 VanDerWaalsContact C-N 3.3Å; F179-Q181 PolarHBondContact O-N 3.06Å; F179-C182 PolarHBondContact O-N 3.01Å; F179-K183 PolarHBondContact O-N 2.88Å; F179-A189 HydrophobicContact CD1-CB 3.56Å; F179-A189 HydrophobicContact CE1-CB 3.82Å; F179-A189 HydrophobicContact CG-CB 4.4Å; F179-V191 HydrophobicContact CE1-CG2 3.8Å; F179-V191 HydrophobicContact CZ-CG2 3.61Å; F179-I236 HydrophobicContact CD2-CB 4.18Å; F179-I236 HydrophobicContact CD2-CG2 3.69Å; F179-I236 HydrophobicContact CE2-CB 4Å; F179-I236 HydrophobicContact CE2-CG2 3.9Å; F179-A237 HydrophobicContact CD2-CB 3.79Å; F179-A237 HydrophobicContact CE2-CB 3.95Å; F179-V240 HydrophobicContact CB-CG2 3.66Å; F179-C242 HydrophobicContact CB-CB 3.9Å; F179-C242 WeakPolarHBondContact O-CB 3.35Å; F179-C242 PolarHBondContact O-SG 3.21Å; F179-L244 HydrophobicContact CE1-CD1 4.3Å; F179-L244 HydrophobicContact CE2-CD1 4.46Å; F179-L244 HydrophobicContact CZ-CD1 4Å |
| 180 | S | 98.9 | Very high | 98.8 | Very high | 38 Ų | 38 | 39 Ų | 39 | 27% | 0.266 | 19% | 0.186 | S | C | . | . | H | α-helix | trans | -59.1 | -44.8 | 173.5 | -60 | 0 | 0 | 0 | 0 | 110.8 | Y176 A177 K183 E184 V240 | Y176-S180 WeakPolarHBondContact O-CB 3.47Å; Y176-S180 PolarHBondContact O-N 3.41Å; Y176-S180 PolarHBondContact O-OG 3.1Å; A177-S180 WeakPolarHBondContact O-CB 3.44Å; A177-S180 PolarHBondContact O-N 2.98Å; S180-K183 WeakPolarHBondContact O-CB 3.48Å; S180-K183 PolarHBondContact O-N 3.47Å; S180-E184 PolarHBondContact O-N 2.76Å; S180-V240 WeakPolarHBondContact OG-CG1 3.2Å |
| 181 | Q | 98.9 | Very high | 98.8 | Very high | 5 Ų | 5 | 38.9 Ų | 38.9 | 2% | 0.023 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -65 | -45.3 | 177.1 | -178.1 | 60.8 | 8.5 | 0 | 0 | 112 | W138 K143 M146 A177 A178 F179 K183 E184 I185 | W138-Q181 HydrophobicContact CH2-CB 3.72Å; W138-Q181 HydrophobicContact CH2-CG 4.11Å; W138-Q181 HydrophobicContact CZ2-CB 4.42Å; K143-Q181 VanDerWaalsContact CG-CD 3.43Å; K143-Q181 HydrophobicContact CG-CG 3.93Å; K143-Q181 PolarHBondContact O-NE2 3.4Å; M146-Q181 HydrophobicContact CB-CG 4.35Å; M146-Q181 HydrophobicContact CE-CB 4.13Å; M146-Q181 HydrophobicContact CE-CG 3.77Å; M146-Q181 HydrophobicContact SD-CB 4.45Å; M146-Q181 HydrophobicContact SD-CG 3.87Å; A177-Q181 PolarHBondContact O-N 2.9Å; A178-Q181 PolarHBondContact O-N 2.74Å; F179-Q181 VanDerWaalsContact C-N 3.3Å; F179-Q181 PolarHBondContact O-N 3.06Å; Q181-K183 VanDerWaalsContact C-N 3.29Å; Q181-K183 PolarHBondContact O-N 3.33Å; Q181-E184 PolarHBondContact O-N 3.38Å; Q181-E184 VanDerWaalsContact O-N 3.12Å; Q181-E184 PolarHBondContact OE1-OE2 2.91Å; Q181-I185 HydrophobicContact CG-CD1 4.21Å; Q181-I185 VanDerWaalsContact O-CG1 3.25Å; Q181-I185 WeakPolarHBondContact O-CG1 3.37Å; Q181-I185 PolarHBondContact O-N 3.45Å |
| 182 | C | 98.9 | Very high | 98.8 | Very high | 0 Ų | 0 | 30.7 Ų | 30.7 | 0% | 0 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -53.8 | -45.5 | 173.8 | -78.4 | 0 | 0 | 0 | 0 | 111.7 | M146 A178 F179 G186 A187 A189 Y473 | M146-C182 VanDerWaalsContact CE-SG 3.58Å; A178-C182 WeakPolarHBondContact O-CB 3.35Å; A178-C182 PolarHBondContact O-N 3.28Å; A178-C182 PolarHBondContact O-SG 3.46Å; A178-C182 VanDerWaalsContact O-SG 3.37Å; F179-C182 PolarHBondContact O-N 3.01Å; C182-G186 PolarHBondContact O-N 3.49Å; C182-A187 CarbonylContact C-O 3.58Å; C182-A187 WeakPolarHBondContact CB-O 3.2Å; C182-A187 PolarHBondContact O-N 2.9Å; C182-A187 VanDerWaalsContact O-O 3.1Å; C182-A189 HydrophobicContact CB-CB 4.35Å; C182-Y473 PolarHBondContact O-OH 3.39Å |
| 183 | K | 98.8 | Very high | 98.8 | Very high | 49 Ų | 49 | 27.6 Ų | 27.6 | 21% | 0.213 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -60.4 | -48.8 | 174.6 | 178.5 | 179.3 | -175.6 | -75.1 | 0 | 112.1 | F179 S180 Q181 I185 G186 V240 N241 C242 D480 | F179-K183 PolarHBondContact O-N 2.88Å; S180-K183 WeakPolarHBondContact O-CB 3.48Å; S180-K183 PolarHBondContact O-N 3.47Å; Q181-K183 VanDerWaalsContact C-N 3.29Å; Q181-K183 PolarHBondContact O-N 3.33Å; K183-I185 VanDerWaalsContact C-N 3.34Å; K183-I185 PolarHBondContact O-N 2.99Å; K183-G186 PolarHBondContact O-N 2.99Å; K183-V240 WeakPolarHBondContact CD-O 3.36Å; K183-N241 HydrophobicContact CD-CB 4.36Å; K183-N241 WeakPolarHBondContact CD-O 3.46Å; K183-N241 WeakPolarHBondContact CE-O 3.36Å; K183-C242 HydrophobicContact CB-CB 4.22Å; K183-D480 VanDerWaalsContact CE-OD1 3.26Å; K183-D480 WeakPolarHBondContact CE-OD1 3.5Å; K183-D480 VanDerWaalsContact CE-OD2 3.3Å; K183-D480 WeakPolarHBondContact CE-OD2 3.45Å; K183-D480 VanDerWaalsContact NZ-CG 3.28Å; K183-D480 IonicContact NZ-OD1 2.75Å; K183-D480 PolarHBondContact NZ-OD1 3.26Å; K183-D480 IonicContact NZ-OD2 2.86Å; K183-D480 PolarHBondContact NZ-OD2 3.1Å |
| 184 | E | 98.8 | Very high | 98.8 | Very high | 129 Ų | 129 | 20.5 Ų | 20.5 | 60% | 0.603 | 10% | 0.101 | S | C | * | . | H | α-helix | trans | -58.4 | -44.2 | -177.3 | -172.9 | 178 | 161.9 | 0 | 0 | 111.9 | S180 Q181 G186 F468 | S180-E184 PolarHBondContact O-N 2.76Å; Q181-E184 PolarHBondContact O-N 3.38Å; Q181-E184 VanDerWaalsContact O-N 3.12Å; Q181-E184 PolarHBondContact OE1-OE2 2.91Å; E184-G186 VanDerWaalsContact C-N 3.35Å; E184-F468 WeakPolarHBondContact O-CZ 3.27Å |
| 185 | I | 98.8 | Very high | 98.9 | Very high | 15 Ų | 15 | 19.8 Ų | 19.8 | 8% | 0.077 | 10% | 0.099 | C | C | . | . | H | α-helix | trans | -88.3 | -0.1 | -178.6 | 70.4 | -166.2 | 0 | 0 | 0 | 113.5 | M146 K147 V150 F158 Q181 K183 A187 P467 | M146-I185 HydrophobicContact CB-CD1 3.88Å; M146-I185 HydrophobicContact CE-CD1 4.06Å; K147-I185 HydrophobicContact CB-CG2 4.22Å; K147-I185 HydrophobicContact CG-CG2 4.49Å; V150-I185 HydrophobicContact CG1-CB 4.46Å; V150-I185 WeakPolarHBondContact CG1-O 3.42Å; V150-I185 HydrophobicContact CG2-CB 4.26Å; V150-I185 HydrophobicContact CG2-CD1 3.7Å; V150-I185 HydrophobicContact CG2-CG1 3.86Å; F158-I185 HydrophobicContact CD2-CD1 4.35Å; F158-I185 HydrophobicContact CE2-CD1 3.64Å; F158-I185 HydrophobicContact CZ-CD1 4.29Å; Q181-I185 HydrophobicContact CG-CD1 4.21Å; Q181-I185 VanDerWaalsContact O-CG1 3.25Å; Q181-I185 WeakPolarHBondContact O-CG1 3.37Å; Q181-I185 PolarHBondContact O-N 3.45Å; K183-I185 VanDerWaalsContact C-N 3.34Å; K183-I185 PolarHBondContact O-N 2.99Å; I185-A187 HydrophobicContact CD1-CB 4.22Å; I185-A187 HydrophobicContact CG1-CB 3.87Å; I185-P467 VanDerWaalsContact O-CB 3.26Å; I185-P467 WeakPolarHBondContact O-CB 3.34Å |
| 186 | G | 98.8 | Very high | 98.8 | Very high | 2 Ų | 2 | 19.8 Ų | 19.8 | 2% | 0.021 | 10% | 0.099 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 74.6 | 26.8 | 178.7 | 0 | 0 | 0 | 0 | 0 | 114.8 | C182 K183 E184 P467 F468 Y473 | C182-G186 PolarHBondContact O-N 3.49Å; K183-G186 PolarHBondContact O-N 2.99Å; E184-G186 VanDerWaalsContact C-N 3.35Å; G186-P467 CarbonylContact O-C 3.54Å; G186-P467 WeakPolarHBondContact O-CA 3.43Å; G186-F468 VanDerWaalsContact CA-CD1 3.46Å; G186-F468 PolarHBondContact O-N 3.38Å; G186-Y473 VanDerWaalsContact C-CZ 3.43Å; G186-Y473 VanDerWaalsContact CA-CZ 3.47Å; G186-Y473 WeakPolarHBondContact CA-OH 3.49Å; G186-Y473 WeakPolarHBondContact O-CE2 3.41Å |
| 187 | A | 98.9 | Very high | 98.8 | Very high | 0 Ų | 0 | 17.6 Ų | 17.6 | 0% | 0 | 10% | 0.095 | C | C | . | . | P | Polyproline II helix | trans | -102 | 147.9 | 176.8 | 0 | 0 | 0 | 0 | 0 | 113.2 | V150 N156 F158 C182 I185 Y473 | V150-A187 HydrophobicContact CG2-CB 4.3Å; N156-A187 CarbonylContact O-C 3.48Å; N156-A187 WeakPolarHBondContact O-CA 3.2Å; N156-A187 WeakPolarHBondContact O-CB 3.2Å; F158-A187 HydrophobicContact CD2-CB 3.66Å; F158-A187 HydrophobicContact CE2-CB 3.65Å; C182-A187 CarbonylContact C-O 3.58Å; C182-A187 WeakPolarHBondContact CB-O 3.2Å; C182-A187 PolarHBondContact O-N 2.9Å; C182-A187 VanDerWaalsContact O-O 3.1Å; I185-A187 HydrophobicContact CD1-CB 4.22Å; I185-A187 HydrophobicContact CG1-CB 3.87Å; A187-Y473 VanDerWaalsContact C-OH 3.23Å; A187-Y473 PolarHBondContact N-OH 3.16Å; A187-Y473 PolarHBondContact O-OH 2.89Å |
| 188 | I | 98.9 | Very high | 98.8 | Very high | 3 Ų | 3 | 20.6 Ų | 20.6 | 2% | 0.015 | 11% | 0.107 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -80.7 | 132.6 | 172.7 | -170 | 167.2 | 0 | 0 | 0 | 111.6 | N156 S157 F158 P243 Y245 Y269 I385 F386 I472 | N156-I188 PolarHBondContact O-N 3.02Å; S157-I188 VanDerWaalsContact CA-O 3.25Å; S157-I188 WeakPolarHBondContact CA-O 3.31Å; F158-I188 PolarHBondContact N-O 2.89Å; I188-P243 HydrophobicContact CG1-CB 4.22Å; I188-P243 HydrophobicContact CG1-CG 4.4Å; I188-Y245 HydrophobicContact CD1-CD2 4.17Å; I188-Y245 HydrophobicContact CD1-CG 4.42Å; I188-Y269 HydrophobicContact CD1-CD2 4Å; I188-Y269 HydrophobicContact CD1-CE2 4.36Å; I188-I385 HydrophobicContact CD1-CG2 3.86Å; I188-F386 HydrophobicContact CG2-CD1 4.24Å; I188-F386 HydrophobicContact CG2-CE1 3.87Å; I188-I472 HydrophobicContact CB-CD1 4.33Å; I188-I472 HydrophobicContact CD1-CD1 3.82Å |
| 189 | A | 98.9 | Very high | 98.8 | Very high | 0 Ų | 0 | 21.3 Ų | 21.3 | 0% | 0 | 11% | 0.11 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.5 | 130.6 | 171.9 | 0 | 0 | 0 | 0 | 0 | 110.2 | M160 F179 C182 P243 L244 Y245 | M160-A189 HydrophobicContact CE-CB 3.55Å; F179-A189 HydrophobicContact CD1-CB 3.56Å; F179-A189 HydrophobicContact CE1-CB 3.82Å; F179-A189 HydrophobicContact CG-CB 4.4Å; C182-A189 HydrophobicContact CB-CB 4.35Å; A189-P243 PolarHBondContact N-O 2.98Å; A189-L244 HydrophobicContact CB-CD1 4.16Å; A189-L244 CarbonylContact O-C 3.34Å; A189-L244 WeakPolarHBondContact O-CA 3.36Å; A189-Y245 PolarHBondContact O-N 2.87Å |
| 190 | Q | 98.9 | Very high | 98.8 | Very high | 0 Ų | 0 | 22.5 Ų | 22.5 | 0% | 0 | 12% | 0.12 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.6 | 142.2 | 172.3 | -61.9 | -175.9 | 11.9 | 0 | 0 | 110.4 | H132 F158 K159 M160 Y245 V247 | H132-Q190 PolarHBondContact CE1-NE2 3.49Å; H132-Q190 PolarHBondContact ND1-NE2 3.09Å; H132-Q190 VanDerWaalsContact ND1-NE2 3.14Å; H132-Q190 PolarHBondContact NE2-NE2 3.46Å; F158-Q190 PolarHBondContact O-N 3.21Å; K159-Q190 WeakPolarHBondContact CA-O 3.29Å; K159-Q190 HydrophobicContact CB-CB 4.44Å; K159-Q190 HydrophobicContact CD-CB 3.9Å; M160-Q190 PolarHBondContact N-O 3.14Å; Q190-Y245 CarbonylContact C-O 3.44Å; Q190-Y245 WeakPolarHBondContact CA-O 3.48Å; Q190-Y245 HydrophobicContact CG-CD1 4.06Å; Q190-Y245 HydrophobicContact CG-CG 4.29Å; Q190-V247 HydrophobicContact CB-CG1 3.88Å; Q190-V247 HydrophobicContact CG-CG1 4.29Å |
| 191 | V | 98.9 | Very high | 98.8 | Very high | 0 Ų | 0 | 25.5 Ų | 25.5 | 0% | 0 | 13% | 0.13 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.7 | 132.2 | -177.2 | 179.4 | 0 | 0 | 0 | 0 | 111.7 | K159 M160 M162 F179 A193 A233 L244 Y245 I246 V247 | K159-V191 PolarHBondContact NZ-O 3.31Å; M160-V191 HydrophobicContact CB-CG2 4.48Å; M160-V191 WeakPolarHBondContact O-CA 3.47Å; M162-V191 HydrophobicContact CG-CG1 3.8Å; M162-V191 HydrophobicContact SD-CG1 3.61Å; F179-V191 HydrophobicContact CE1-CG2 3.8Å; F179-V191 HydrophobicContact CZ-CG2 3.61Å; V191-A193 HydrophobicContact CG1-CB 4.04Å; V191-A233 HydrophobicContact CB-CB 4.45Å; V191-A233 HydrophobicContact CG1-CB 4.09Å; V191-A233 HydrophobicContact CG2-CB 4.38Å; V191-L244 HydrophobicContact CB-CD1 4.34Å; V191-L244 HydrophobicContact CG2-CD1 3.55Å; V191-Y245 PolarHBondContact N-O 2.67Å; V191-I246 HydrophobicContact CB-CD1 4.47Å; V191-V247 PolarHBondContact O-N 3.45Å |
| 192 | H | 98.9 | Very high | 98.8 | Very high | 1 Ų | 1 | 25.9 Ų | 25.9 | 1% | 0.005 | 14% | 0.136 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.1 | 105.9 | 161 | 172.8 | 108.4 | 0 | 0 | 0 | 105.8 | K159 M160 F161 M162 A163 Y164 E194 H248 G298 | K159-H192 VanDerWaalsContact NZ-CA 3.31Å; K159-H192 VanDerWaalsContact NZ-CB 3.3Å; M160-H192 PolarHBondContact O-N 3Å; F161-H192 HydrophobicContact CD1-CB 3.54Å; F161-H192 AromaticContact CD1-CG 3.89Å; F161-H192 HydrophobicContact CE1-CB 4.06Å; F161-H192 HydrophobicContact CG-CB 4.3Å; M162-H192 WeakPolarHBondContact CB-O 3.31Å; M162-H192 PolarHBondContact N-O 3.44Å; A163-H192 WeakPolarHBondContact CB-CD2 3.46Å; A163-H192 WeakPolarHBondContact CB-NE2 3.33Å; Y164-H192 AromaticContact CE2-CE1 3.88Å; H192-E194 IonicContact CE1-OE2 3.89Å; H192-E194 IonicContact NE2-OE2 3.54Å; H192-E194 PolarHBondContact NE2-OE2 3.39Å; H192-E194 VanDerWaalsContact NE2-OE2 3.14Å; H192-H248 AromaticContact CE1-CE1 3.78Å; H192-H248 AromaticContact CE1-NE2 3.8Å; H192-H248 AromaticContact CG-CE1 3.57Å; H192-H248 AromaticContact CG-NE2 3.65Å; H192-H248 AromaticContact ND1-CE1 3.03Å; H192-H248 PolarHBondContact ND1-CE1 3.47Å; H192-H248 AromaticContact ND1-NE2 2.86Å; H192-H248 PolarHBondContact ND1-NE2 3.11Å; H192-G298 PolarHBondContact CE1-O 3.2Å; H192-G298 VanDerWaalsContact CE1-O 3.3Å |
| 193 | A | 98.8 | Very high | 98.8 | Very high | 3 Ų | 3 | 26.5 Ų | 26.5 | 3% | 0.025 | 14% | 0.141 | C | C | . | . | trans | -104.4 | 75.7 | -164.9 | 0 | 0 | 0 | 0 | 0 | 111.4 | M162 V191 E226 A229 T230 I246 | M162-A193 HydrophobicContact SD-CB 4.47Å; V191-A193 HydrophobicContact CG1-CB 4.04Å; A193-E226 VanDerWaalsContact O-CA 3.25Å; A193-E226 WeakPolarHBondContact O-CA 3.42Å; A193-E226 WeakPolarHBondContact O-CG 3.25Å; A193-E226 VanDerWaalsContact O-O 3.14Å; A193-A229 VanDerWaalsContact C-CB 3.41Å; A193-A229 HydrophobicContact CB-CB 4.21Å; A193-T230 WeakPolarHBondContact CB-OG1 3.4Å; A193-I246 HydrophobicContact CB-CG2 4.25Å | ||
| 194 | E | 98.8 | Very high | 98.8 | Very high | 0 Ų | 0 | 30 Ų | 30 | 0% | 0 | 16% | 0.156 | C | C | . | . | S | Bend | trans | -127.3 | 149.1 | 162.9 | -55.1 | -174.1 | 91.2 | 0 | 0 | 109.2 | M162 A163 H192 G196 I199 R221 V225 E226 A229 P299 | M162-E194 CarbonylContact C-O 3.42Å; M162-E194 VanDerWaalsContact CB-O 3.23Å; M162-E194 WeakPolarHBondContact CB-O 3.4Å; A163-E194 HydrophobicContact CB-CB 4.11Å; A163-E194 PolarHBondContact N-O 3.12Å; H192-E194 IonicContact CE1-OE2 3.89Å; H192-E194 IonicContact NE2-OE2 3.54Å; H192-E194 PolarHBondContact NE2-OE2 3.39Å; H192-E194 VanDerWaalsContact NE2-OE2 3.14Å; E194-G196 PolarHBondContact O-N 2.91Å; E194-G196 VanDerWaalsContact O-N 3.12Å; E194-I199 HydrophobicContact CB-CD1 3.42Å; E194-I199 VanDerWaalsContact CB-CD1 3.42Å; E194-I199 HydrophobicContact CB-CG1 4.5Å; E194-I199 HydrophobicContact CG-CD1 4.25Å; E194-R221 IonicContact OE2-NH1 2.93Å; E194-V225 HydrophobicContact CB-CG1 4.15Å; E194-E226 HydrophobicContact CG-CB 4.48Å; E194-A229 VanDerWaalsContact C-CB 3.42Å; E194-P299 VanDerWaalsContact CD-CB 3.49Å; E194-P299 HydrophobicContact CG-CB 3.99Å; E194-P299 HydrophobicContact CG-CG 3.71Å; E194-P299 WeakPolarHBondContact OE1-CB 3.33Å; E194-P299 WeakPolarHBondContact OE2-CA 3.43Å |
| 195 | N | 98.8 | Very high | 98.8 | Very high | 22 Ų | 22 | 30.2 Ų | 30.2 | 12% | 0.118 | 16% | 0.155 | C | C | . | . | trans | -74.7 | 102.3 | 176.3 | -171.1 | -49 | 0 | 0 | 0 | 111.2 | D197 L198 I199 V225 E228 R232 | N195-D197 VanDerWaalsContact C-N 3.32Å; N195-D197 PolarHBondContact O-N 3.31Å; N195-D197 PolarHBondContact OD1-N 3.4Å; N195-L198 HydrophobicContact CB-CB 4.16Å; N195-L198 HydrophobicContact CB-CD1 4.03Å; N195-L198 HydrophobicContact CB-CG 4.14Å; N195-L198 PolarHBondContact O-N 3Å; N195-L198 PolarHBondContact OD1-N 2.8Å; N195-L198 VanDerWaalsContact OD1-N 3.14Å; N195-I199 WeakPolarHBondContact O-CG1 3.4Å; N195-I199 PolarHBondContact O-N 3.21Å; N195-V225 HydrophobicContact CB-CG1 3.94Å; N195-V225 PolarHBondContact N-O 2.68Å; N195-V225 VanDerWaalsContact N-O 3.16Å; N195-E228 WeakPolarHBondContact CB-OE2 3.2Å; N195-E228 PolarHBondContact ND2-OE2 3.23Å; N195-R232 PolarHBondContact ND2-NH2 2.98Å | ||
| 196 | G | 98.6 | Very high | 98.8 | Very high | 1 Ų | 1 | 30.4 Ų | 30.4 | 1% | 0.01 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -62.1 | -30.9 | -175.5 | 0 | 0 | 0 | 0 | 0 | 115.6 | M162 E194 A200 | M162-G196 WeakPolarHBondContact O-CA 3.5Å; M162-G196 PolarHBondContact O-N 3.03Å; E194-G196 PolarHBondContact O-N 2.91Å; E194-G196 VanDerWaalsContact O-N 3.12Å; G196-A200 WeakPolarHBondContact O-CB 3.18Å; G196-A200 PolarHBondContact O-N 2.8Å; G196-A200 VanDerWaalsContact O-N 3.08Å |
| 197 | D | 98.7 | Very high | 98.8 | Very high | 72 Ų | 72 | 33 Ų | 33 | 39% | 0.385 | 17% | 0.168 | S | C | . | . | H | α-helix | trans | -69.5 | -44 | 175.6 | -72.5 | -63.1 | 0 | 0 | 0 | 111.2 | K165 N195 A200 E201 | K165-D197 WeakPolarHBondContact CD-OD1 3.27Å; K165-D197 WeakPolarHBondContact CE-OD1 3.44Å; K165-D197 IonicContact NZ-OD1 2.97Å; K165-D197 PolarHBondContact NZ-OD1 3.03Å; N195-D197 VanDerWaalsContact C-N 3.32Å; N195-D197 PolarHBondContact O-N 3.31Å; N195-D197 PolarHBondContact OD1-N 3.4Å; D197-A200 PolarHBondContact O-N 3.08Å; D197-E201 PolarHBondContact O-N 3.47Å; D197-E201 VanDerWaalsContact O-N 3.08Å |
| 198 | L | 98.8 | Very high | 98.7 | Very high | 92 Ų | 92 | 37.1 Ų | 37.1 | 48% | 0.482 | 20% | 0.203 | S | C | . | . | H | α-helix | trans | -66.7 | -37.6 | 176.9 | -64.4 | -177.7 | 0 | 0 | 0 | 112.1 | N195 G202 V225 | N195-L198 HydrophobicContact CB-CB 4.16Å; N195-L198 HydrophobicContact CB-CD1 4.03Å; N195-L198 HydrophobicContact CB-CG 4.14Å; N195-L198 PolarHBondContact O-N 3Å; N195-L198 PolarHBondContact OD1-N 2.8Å; N195-L198 VanDerWaalsContact OD1-N 3.14Å; L198-G202 PolarHBondContact O-N 3.14Å; L198-V225 HydrophobicContact CB-CG2 4.28Å; L198-V225 HydrophobicContact CD1-CG2 4.34Å |
| 199 | I | 98.6 | Very high | 98.7 | Very high | 15 Ų | 15 | 42.4 Ų | 42.4 | 8% | 0.077 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -60.1 | -47.4 | 173.1 | -67.5 | 166.5 | 0 | 0 | 0 | 110.5 | A163 E194 N195 E201 G202 A203 R221 V225 | A163-I199 HydrophobicContact CB-CD1 3.83Å; E194-I199 HydrophobicContact CB-CD1 3.42Å; E194-I199 VanDerWaalsContact CB-CD1 3.42Å; E194-I199 HydrophobicContact CB-CG1 4.5Å; E194-I199 HydrophobicContact CG-CD1 4.25Å; N195-I199 WeakPolarHBondContact O-CG1 3.4Å; N195-I199 PolarHBondContact O-N 3.21Å; I199-E201 PolarHBondContact O-N 3.3Å; I199-G202 PolarHBondContact O-N 3.09Å; I199-A203 WeakPolarHBondContact O-CB 3.39Å; I199-A203 PolarHBondContact O-N 3.21Å; I199-R221 HydrophobicContact CG1-CB 3.85Å; I199-V225 HydrophobicContact CD1-CG1 4.36Å; I199-V225 HydrophobicContact CG1-CG1 3.92Å |
| 200 | A | 98.6 | Very high | 98.7 | Very high | 25 Ų | 25 | 45 Ų | 45 | 21% | 0.207 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -61.9 | -44.5 | -177.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | K165 G196 D197 K204 | K165-A200 HydrophobicContact CB-CB 4.5Å; K165-A200 HydrophobicContact CD-CB 4.07Å; G196-A200 WeakPolarHBondContact O-CB 3.18Å; G196-A200 PolarHBondContact O-N 2.8Å; G196-A200 VanDerWaalsContact O-N 3.08Å; D197-A200 PolarHBondContact O-N 3.08Å; A200-K204 VanDerWaalsContact O-CG 3.3Å; A200-K204 WeakPolarHBondContact O-CG 3.34Å; A200-K204 PolarHBondContact O-N 3.08Å |
| 201 | E | 98.6 | Very high | 98.7 | Very high | 101 Ų | 101 | 47.1 Ų | 47.1 | 47% | 0.472 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -70.6 | -38.8 | 176.5 | -66.6 | -52.8 | 128.7 | 0 | 0 | 112.5 | D197 I199 A203 K204 K205 | D197-E201 PolarHBondContact O-N 3.47Å; D197-E201 VanDerWaalsContact O-N 3.08Å; I199-E201 PolarHBondContact O-N 3.3Å; E201-A203 VanDerWaalsContact C-N 3.34Å; E201-A203 PolarHBondContact O-N 2.91Å; E201-K204 PolarHBondContact O-N 2.81Å; E201-K204 IonicContact OE1-NZ 3.51Å; E201-K204 PolarHBondContact OE1-NZ 2.52Å; E201-K205 WeakPolarHBondContact O-CB 3.43Å; E201-K205 PolarHBondContact O-N 2.73Å |
| 202 | G | 98.7 | Very high | 98.7 | Very high | 14 Ų | 14 | 49.9 Ų | 49.9 | 14% | 0.144 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -59.6 | -44 | 174.5 | 0 | 0 | 0 | 0 | 0 | 112 | L198 I199 K205 M206 C220 | L198-G202 PolarHBondContact O-N 3.14Å; I199-G202 PolarHBondContact O-N 3.09Å; G202-K205 WeakPolarHBondContact O-CB 3.23Å; G202-K205 PolarHBondContact O-N 2.84Å; G202-M206 WeakPolarHBondContact O-CG 3.27Å; G202-M206 PolarHBondContact O-N 3.39Å; G202-C220 VanDerWaalsContact C-CB 3.45Å |
| 203 | A | 98.6 | Very high | 98.7 | Very high | 12 Ų | 12 | 50.2 Ų | 50.2 | 10% | 0.099 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -66.1 | -45.4 | -179.6 | 0 | 0 | 0 | 0 | 0 | 111.5 | I199 E201 K205 M206 L207 C220 F342 T343 | I199-A203 WeakPolarHBondContact O-CB 3.39Å; I199-A203 PolarHBondContact O-N 3.21Å; E201-A203 VanDerWaalsContact C-N 3.34Å; E201-A203 PolarHBondContact O-N 2.91Å; A203-K205 VanDerWaalsContact C-N 3.28Å; A203-K205 PolarHBondContact O-N 3.33Å; A203-M206 PolarHBondContact O-N 3.37Å; A203-L207 WeakPolarHBondContact O-CG 3.15Å; A203-L207 PolarHBondContact O-N 2.93Å; A203-L207 VanDerWaalsContact O-N 3.07Å; A203-C220 HydrophobicContact CB-CB 4.27Å; A203-F342 HydrophobicContact CB-CE2 4.45Å; A203-F342 HydrophobicContact CB-CZ 4.2Å; A203-T343 HydrophobicContact CB-CG2 4.02Å |
| 204 | K | 98.6 | Very high | 98.7 | Very high | 123 Ų | 123 | 50.2 Ų | 50.2 | 54% | 0.535 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -56 | -44.6 | 172.6 | -69.8 | 170.7 | -169.7 | 172.9 | 0 | 111.4 | A200 E201 A208 | A200-K204 VanDerWaalsContact O-CG 3.3Å; A200-K204 WeakPolarHBondContact O-CG 3.34Å; A200-K204 PolarHBondContact O-N 3.08Å; E201-K204 PolarHBondContact O-N 2.81Å; E201-K204 IonicContact OE1-NZ 3.51Å; E201-K204 PolarHBondContact OE1-NZ 2.52Å; K204-A208 VanDerWaalsContact O-CB 3.31Å; K204-A208 WeakPolarHBondContact O-CB 3.44Å; K204-A208 PolarHBondContact O-N 3.18Å |
| 205 | K | 98.8 | Very high | 98.7 | Very high | 134 Ų | 134 | 52.7 Ų | 52.7 | 58% | 0.583 | 30% | 0.3 | S | S | * | . | H | α-helix | trans | -62.7 | -46.7 | 178.9 | -176.7 | -175.2 | 175.2 | -175.9 | 0 | 111.9 | E201 G202 A203 A208 L209 | E201-K205 WeakPolarHBondContact O-CB 3.43Å; E201-K205 PolarHBondContact O-N 2.73Å; G202-K205 WeakPolarHBondContact O-CB 3.23Å; G202-K205 PolarHBondContact O-N 2.84Å; A203-K205 VanDerWaalsContact C-N 3.28Å; A203-K205 PolarHBondContact O-N 3.33Å; K205-A208 PolarHBondContact O-N 2.93Å; K205-L209 HydrophobicContact CG-CD1 4.23Å; K205-L209 WeakPolarHBondContact O-CG 3.25Å; K205-L209 PolarHBondContact O-N 3.39Å; K205-L209 VanDerWaalsContact O-N 3.09Å |
| 206 | M | 98.8 | Very high | 98.7 | Very high | 19 Ų | 19 | 51.6 Ų | 51.6 | 9% | 0.094 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -61.3 | -46.5 | 179.7 | -68.6 | -50.5 | 103.8 | 0 | 0 | 111.3 | G202 A203 A208 L209 G210 I211 L219 C220 F342 | G202-M206 WeakPolarHBondContact O-CG 3.27Å; G202-M206 PolarHBondContact O-N 3.39Å; A203-M206 PolarHBondContact O-N 3.37Å; M206-A208 PolarHBondContact O-N 2.78Å; M206-L209 HydrophobicContact CE-CD1 4.22Å; M206-L209 PolarHBondContact O-N 3.49Å; M206-L209 VanDerWaalsContact O-N 3.14Å; M206-G210 PolarHBondContact O-N 3.17Å; M206-I211 CarbonylContact C-O 3.48Å; M206-I211 HydrophobicContact CB-CB 4.3Å; M206-I211 WeakPolarHBondContact O-CB 3.25Å; M206-I211 PolarHBondContact O-N 3.17Å; M206-I211 HydrophobicContact SD-CD1 3.87Å; M206-L219 HydrophobicContact CG-CB 4.21Å; M206-L219 HydrophobicContact SD-CB 3.63Å; M206-L219 HydrophobicContact SD-CD1 4.35Å; M206-C220 HydrophobicContact CG-CB 3.9Å; M206-F342 HydrophobicContact CB-CE1 3.82Å; M206-F342 HydrophobicContact CB-CZ 3.98Å |
| 207 | L | 98.8 | Very high | 98.7 | Very high | 55 Ų | 55 | 51.6 Ų | 51.6 | 29% | 0.288 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -62.6 | -41.2 | 176.8 | -67.7 | 174.9 | 0 | 0 | 0 | 112.4 | A203 L209 G210 T212 F342 T343 | A203-L207 WeakPolarHBondContact O-CG 3.15Å; A203-L207 PolarHBondContact O-N 2.93Å; A203-L207 VanDerWaalsContact O-N 3.07Å; L207-L209 PolarHBondContact O-N 2.66Å; L207-G210 PolarHBondContact O-N 3.05Å; L207-T212 HydrophobicContact CD2-CG2 4.13Å; L207-F342 HydrophobicContact CD2-CD1 4.12Å; L207-F342 HydrophobicContact CD2-CE1 3.9Å; L207-F342 HydrophobicContact CG-CE1 4.08Å; L207-T343 HydrophobicContact CD1-CG2 3.89Å; L207-T343 HydrophobicContact CG-CG2 4.46Å |
| 208 | A | 98.7 | Very high | 98.7 | Very high | 88 Ų | 88 | 49 Ų | 49 | 73% | 0.727 | 28% | 0.28 | S | S | * | . | H | α-helix | trans | -64.6 | -25.3 | 176.9 | 0 | 0 | 0 | 0 | 0 | 113.3 | K204 K205 M206 G210 | K204-A208 VanDerWaalsContact O-CB 3.31Å; K204-A208 WeakPolarHBondContact O-CB 3.44Å; K204-A208 PolarHBondContact O-N 3.18Å; K205-A208 PolarHBondContact O-N 2.93Å; M206-A208 PolarHBondContact O-N 2.78Å; A208-G210 VanDerWaalsContact C-N 3.26Å |
| 209 | L | 98.7 | Very high | 98.7 | Very high | 114 Ų | 114 | 48 Ų | 48 | 60% | 0.597 | 28% | 0.275 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83 | 0.7 | 172.6 | -67.5 | 171.7 | 0 | 0 | 0 | 113.1 | K205 M206 L207 I211 | K205-L209 HydrophobicContact CG-CD1 4.23Å; K205-L209 WeakPolarHBondContact O-CG 3.25Å; K205-L209 PolarHBondContact O-N 3.39Å; K205-L209 VanDerWaalsContact O-N 3.09Å; M206-L209 HydrophobicContact CE-CD1 4.22Å; M206-L209 PolarHBondContact O-N 3.49Å; M206-L209 VanDerWaalsContact O-N 3.14Å; L207-L209 PolarHBondContact O-N 2.66Å; L209-I211 VanDerWaalsContact C-N 3.3Å; L209-I211 HydrophobicContact CB-CD1 4.32Å; L209-I211 HydrophobicContact CB-CG1 4.33Å |
| 210 | G | 98.6 | Very high | 98.7 | Very high | 55 Ų | 55 | 47.4 Ų | 47.4 | 57% | 0.567 | 27% | 0.272 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 78.5 | 10.6 | -176.4 | 0 | 0 | 0 | 0 | 0 | 114.2 | M206 L207 A208 T212 | M206-G210 PolarHBondContact O-N 3.17Å; L207-G210 PolarHBondContact O-N 3.05Å; A208-G210 VanDerWaalsContact C-N 3.26Å; G210-T212 PolarHBondContact O-N 3.22Å |
| 211 | I | 98.8 | Very high | 98.7 | Very high | 44 Ų | 44 | 47.1 Ų | 47.1 | 23% | 0.226 | 27% | 0.266 | C | S | . | . | trans | -84.5 | 99.4 | 175.7 | -56.9 | 170.7 | 0 | 0 | 0 | 107.7 | M206 L209 E215 L219 | M206-I211 CarbonylContact C-O 3.48Å; M206-I211 HydrophobicContact CB-CB 4.3Å; M206-I211 WeakPolarHBondContact O-CB 3.25Å; M206-I211 PolarHBondContact O-N 3.17Å; M206-I211 HydrophobicContact SD-CD1 3.87Å; L209-I211 VanDerWaalsContact C-N 3.3Å; L209-I211 HydrophobicContact CB-CD1 4.32Å; L209-I211 HydrophobicContact CB-CG1 4.33Å; I211-E215 HydrophobicContact CG2-CG 4.11Å; I211-L219 HydrophobicContact CD1-CD1 4.3Å; I211-L219 HydrophobicContact CG2-CD1 4.44Å | ||
| 212 | T | 98.8 | Very high | 98.6 | Very high | 57 Ų | 57 | 45.1 Ų | 45.1 | 35% | 0.35 | 26% | 0.261 | S | S | . | . | trans | -111.8 | -11 | -177.2 | 58 | 0 | 0 | 0 | 0 | 113.6 | L207 G210 D340 F342 | L207-T212 HydrophobicContact CD2-CG2 4.13Å; G210-T212 PolarHBondContact O-N 3.22Å; T212-D340 VanDerWaalsContact CB-O 3.31Å; T212-D340 WeakPolarHBondContact CB-O 3.48Å; T212-D340 WeakPolarHBondContact CG2-O 3.44Å; T212-F342 PolarHBondContact O-N 2.82Å | ||
| 213 | G | 98.8 | Very high | 98.6 | Very high | 9 Ų | 9 | 47.5 Ų | 47.5 | 9% | 0.093 | 27% | 0.269 | C | S | . | . | S | Bend | trans | -77.9 | 170.3 | 179.5 | 0 | 0 | 0 | 0 | 0 | 113.6 | E215 G216 F342 | G213-E215 VanDerWaalsContact CA-OE2 3.27Å; G213-E215 WeakPolarHBondContact CA-OE2 3.37Å; G213-E215 PolarHBondContact O-N 3.37Å; G213-E215 VanDerWaalsContact O-N 3.12Å; G213-G216 PolarHBondContact O-N 3.18Å; G213-F342 VanDerWaalsContact O-CB 3.29Å; G213-F342 WeakPolarHBondContact O-CB 3.38Å |
| 214 | P | 98.8 | Very high | 98.6 | Very high | 3 Ų | 3 | 50.1 Ų | 50.1 | 2% | 0.019 | 29% | 0.291 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -54.6 | -28 | -178.3 | -28 | 38.1 | 0 | 0 | 0 | 114.9 | G216 H217 Y284 A292 A293 V296 I345 | P214-G216 PolarHBondContact O-N 2.78Å; P214-H217 WeakPolarHBondContact O-CB 3.38Å; P214-H217 PolarHBondContact O-N 2.83Å; P214-Y284 HydrophobicContact CB-CD1 4.42Å; P214-A292 HydrophobicContact CB-CB 3.86Å; P214-A292 HydrophobicContact CG-CB 3.75Å; P214-A293 HydrophobicContact CG-CB 4.08Å; P214-V296 HydrophobicContact CB-CG2 3.82Å; P214-I345 HydrophobicContact CB-CD1 4.43Å; P214-I345 HydrophobicContact CG-CD1 4.03Å |
| 215 | E | 98.8 | Very high | 98.6 | Very high | 51 Ų | 51 | 44.8 Ų | 44.8 | 24% | 0.238 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -59.1 | -30.9 | 173.1 | 72.3 | -68.8 | 168.2 | 0 | 0 | 113 | I211 G213 H217 E218 L219 W285 | I211-E215 HydrophobicContact CG2-CG 4.11Å; G213-E215 VanDerWaalsContact CA-OE2 3.27Å; G213-E215 WeakPolarHBondContact CA-OE2 3.37Å; G213-E215 PolarHBondContact O-N 3.37Å; G213-E215 VanDerWaalsContact O-N 3.12Å; E215-H217 PolarHBondContact O-N 3.44Å; E215-E218 PolarHBondContact O-N 2.78Å; E215-L219 HydrophobicContact CG-CD1 4.38Å; E215-L219 VanDerWaalsContact O-CG 3.25Å; E215-L219 WeakPolarHBondContact O-CG 3.36Å; E215-L219 PolarHBondContact O-N 3.34Å; E215-W285 HydrophobicContact CB-CD2 4.25Å; E215-W285 HydrophobicContact CB-CG 4.43Å; E215-W285 HydrophobicContact CB-CZ2 4.28Å |
| 216 | G | 98.8 | Very high | 98.7 | Very high | 0 Ų | 0 | 38.5 Ų | 38.5 | 0% | 0 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -60.3 | -27.7 | 172.9 | 0 | 0 | 0 | 0 | 0 | 112.8 | G213 P214 C220 F342 | G213-G216 PolarHBondContact O-N 3.18Å; P214-G216 PolarHBondContact O-N 2.78Å; G216-C220 VanDerWaalsContact O-CB 3.3Å; G216-C220 WeakPolarHBondContact O-CB 3.37Å; G216-C220 PolarHBondContact O-N 2.92Å; G216-C220 PolarHBondContact O-SG 3.14Å; G216-C220 VanDerWaalsContact O-SG 3.37Å; G216-F342 WeakPolarHBondContact O-CE2 3.45Å; G216-F342 WeakPolarHBondContact O-CZ 3.29Å |
| 217 | H | 98.6 | Very high | 98.7 | Very high | 1 Ų | 1 | 38.2 Ų | 38.2 | 1% | 0.005 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -67.3 | -41.1 | 177.3 | -173.2 | 71.3 | 0 | 0 | 0 | 112.3 | P214 E215 C220 R221 V296 M297 F342 N347 | P214-H217 WeakPolarHBondContact O-CB 3.38Å; P214-H217 PolarHBondContact O-N 2.83Å; E215-H217 PolarHBondContact O-N 3.44Å; H217-C220 PolarHBondContact O-SG 3.28Å; H217-R221 PolarHBondContact CE1-NH1 3.39Å; H217-R221 PolarHBondContact CE1-NH2 3.33Å; H217-R221 VanDerWaalsContact CE1-NH2 3.34Å; H217-R221 PolarHBondContact ND1-NH2 2.87Å; H217-R221 WeakPolarHBondContact O-CD 3.28Å; H217-R221 VanDerWaalsContact O-CG 3.24Å; H217-R221 WeakPolarHBondContact O-CG 3.23Å; H217-R221 PolarHBondContact O-NE 3.42Å; H217-V296 HydrophobicContact CB-CG1 4.49Å; H217-M297 PolarHBondContact CD2-O 3.04Å; H217-M297 PolarHBondContact NE2-O 3.16Å; H217-F342 VanDerWaalsContact CA-CD2 3.46Å; H217-F342 HydrophobicContact CB-CD2 3.7Å; H217-F342 HydrophobicContact CB-CE2 4.3Å; H217-F342 HydrophobicContact CB-CG 4.4Å; H217-N347 PolarHBondContact CE1-OD1 2.68Å; H217-N347 PolarHBondContact NE2-OD1 2.77Å; H217-N347 VanDerWaalsContact NE2-OD1 3.15Å |
| 218 | E | 98.5 | Very high | 98.7 | Very high | 17 Ų | 17 | 38.9 Ų | 38.9 | 8% | 0.079 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -71 | -48.9 | 174 | -166 | -73.3 | 150.8 | 0 | 0 | 110.8 | E215 C220 R221 Y284 W285 P300 P303 | E215-E218 PolarHBondContact O-N 2.78Å; E218-C220 PolarHBondContact O-N 2.85Å; E218-C220 VanDerWaalsContact O-N 3.16Å; E218-R221 CarbonylContact O-C 3.56Å; E218-R221 PolarHBondContact O-N 2.92Å; E218-Y284 HydrophobicContact CB-CD2 3.8Å; E218-Y284 HydrophobicContact CB-CE2 4.15Å; E218-Y284 HydrophobicContact CG-CD2 4.13Å; E218-Y284 HydrophobicContact CG-CE2 4.31Å; E218-W285 HydrophobicContact CB-CH2 4.04Å; E218-W285 HydrophobicContact CG-CH2 3.97Å; E218-W285 HydrophobicContact CG-CZ3 4.4Å; E218-W285 WeakPolarHBondContact OE2-CH2 3.46Å; E218-P300 HydrophobicContact CB-CB 4.41Å; E218-P300 HydrophobicContact CG-CB 4.38Å; E218-P300 HydrophobicContact CG-CG 4.28Å; E218-P303 HydrophobicContact CG-CG 4.4Å; E218-P303 VanDerWaalsContact OE1-CD 3.32Å; E218-P303 WeakPolarHBondContact OE1-CD 3.49Å |
| 219 | L | 98.7 | Very high | 98.7 | Very high | 70 Ų | 70 | 34.7 Ų | 34.7 | 37% | 0.366 | 21% | 0.209 | S | C | . | . | H | α-helix | trans | -62.4 | -27.8 | -174.7 | -68.3 | 171.1 | 0 | 0 | 0 | 113.5 | M206 I211 E215 R221 W285 | M206-L219 HydrophobicContact CG-CB 4.21Å; M206-L219 HydrophobicContact SD-CB 3.63Å; M206-L219 HydrophobicContact SD-CD1 4.35Å; I211-L219 HydrophobicContact CD1-CD1 4.3Å; I211-L219 HydrophobicContact CG2-CD1 4.44Å; E215-L219 HydrophobicContact CG-CD1 4.38Å; E215-L219 VanDerWaalsContact O-CG 3.25Å; E215-L219 WeakPolarHBondContact O-CG 3.36Å; E215-L219 PolarHBondContact O-N 3.34Å; L219-R221 VanDerWaalsContact C-N 3.31Å; L219-W285 HydrophobicContact CD2-CZ2 4.23Å; L219-W285 HydrophobicContact CG-CZ2 4.31Å |
| 220 | C | 98.4 | Very high | 98.7 | Very high | 4 Ų | 4 | 29.3 Ų | 29.3 | 3% | 0.027 | 18% | 0.18 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -77.4 | -14.3 | 177.3 | 75 | 0 | 0 | 0 | 0 | 114.3 | G202 A203 M206 G216 H217 E218 F342 | G202-C220 VanDerWaalsContact C-CB 3.45Å; A203-C220 HydrophobicContact CB-CB 4.27Å; M206-C220 HydrophobicContact CG-CB 3.9Å; G216-C220 VanDerWaalsContact O-CB 3.3Å; G216-C220 WeakPolarHBondContact O-CB 3.37Å; G216-C220 PolarHBondContact O-N 2.92Å; G216-C220 PolarHBondContact O-SG 3.14Å; G216-C220 VanDerWaalsContact O-SG 3.37Å; H217-C220 PolarHBondContact O-SG 3.28Å; E218-C220 PolarHBondContact O-N 2.85Å; E218-C220 VanDerWaalsContact O-N 3.16Å; C220-F342 HydrophobicContact CB-CE2 4.44Å; C220-F342 HydrophobicContact CB-CZ 4.26Å |
| 221 | R | 98.2 | Very high | 98.7 | Very high | 18 Ų | 18 | 30.8 Ų | 30.8 | 7% | 0.068 | 18% | 0.175 | C | C | . | . | S | Bend | trans | -143.6 | 59.8 | -173.9 | 68.5 | -166.7 | 66.4 | -164.7 | 8.1 | 112 | E194 I199 H217 E218 L219 P300 R302 | E194-R221 IonicContact OE2-NH1 2.93Å; I199-R221 HydrophobicContact CG1-CB 3.85Å; H217-R221 PolarHBondContact CE1-NH1 3.39Å; H217-R221 PolarHBondContact CE1-NH2 3.33Å; H217-R221 VanDerWaalsContact CE1-NH2 3.34Å; H217-R221 PolarHBondContact ND1-NH2 2.87Å; H217-R221 WeakPolarHBondContact O-CD 3.28Å; H217-R221 VanDerWaalsContact O-CG 3.24Å; H217-R221 WeakPolarHBondContact O-CG 3.23Å; H217-R221 PolarHBondContact O-NE 3.42Å; E218-R221 CarbonylContact O-C 3.56Å; E218-R221 PolarHBondContact O-N 2.92Å; L219-R221 VanDerWaalsContact C-N 3.31Å; R221-P300 HydrophobicContact CG-CG 3.65Å; R221-R302 PolarHBondContact O-NH1 3.48Å |
| 222 | P | 98.3 | Very high | 98.7 | Very high | 59 Ų | 59 | 30.9 Ų | 30.9 | 38% | 0.383 | 17% | 0.172 | S | C | . | . | trans | -58.6 | 158.7 | 179.9 | 27.7 | -36.6 | 0 | 0 | 0 | 111.2 | A224 V225 | P222-A224 PolarHBondContact O-N 3.3Å; P222-V225 HydrophobicContact CG-CG2 4.17Å; P222-V225 VanDerWaalsContact O-CB 3.25Å; P222-V225 WeakPolarHBondContact O-CB 3.46Å; P222-V225 PolarHBondContact O-N 3.05Å | ||
| 223 | E | 98.5 | Very high | 98.7 | Very high | 64 Ų | 64 | 28.1 Ų | 28.1 | 30% | 0.299 | 16% | 0.156 | S | C | . | . | H | α-helix | trans | -56.1 | -25.2 | -170.2 | 58.5 | 160.3 | -118.7 | 0 | 0 | 115.8 | V225 E226 A227 S251 S253 | E223-V225 PolarHBondContact O-N 3.19Å; E223-E226 WeakPolarHBondContact O-CB 3.45Å; E223-E226 PolarHBondContact O-N 3.33Å; E223-A227 PolarHBondContact O-N 3.31Å; E223-S251 VanDerWaalsContact CB-CB 3.45Å; E223-S253 WeakPolarHBondContact OE1-CB 3.35Å; E223-S253 PolarHBondContact OE1-OG 3.39Å |
| 224 | A | 98.8 | Very high | 98.7 | Very high | 68 Ų | 68 | 27.8 Ų | 27.8 | 56% | 0.562 | 15% | 0.152 | S | C | * | . | H | α-helix | trans | -58.6 | -29.7 | 173.1 | 0 | 0 | 0 | 0 | 0 | 113.4 | P222 E226 A227 E228 | P222-A224 PolarHBondContact O-N 3.3Å; A224-E226 VanDerWaalsContact C-N 3.34Å; A224-A227 PolarHBondContact O-N 2.91Å; A224-E228 WeakPolarHBondContact O-CB 3.41Å; A224-E228 PolarHBondContact O-N 3.43Å |
| 225 | V | 98.7 | Very high | 98.7 | Very high | 10 Ų | 10 | 31.4 Ų | 31.4 | 6% | 0.061 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -67.4 | -35.4 | 175.7 | 173.5 | 0 | 0 | 0 | 0 | 111.4 | E194 N195 L198 I199 P222 E223 | E194-V225 HydrophobicContact CB-CG1 4.15Å; N195-V225 HydrophobicContact CB-CG1 3.94Å; N195-V225 PolarHBondContact N-O 2.68Å; N195-V225 VanDerWaalsContact N-O 3.16Å; L198-V225 HydrophobicContact CB-CG2 4.28Å; L198-V225 HydrophobicContact CD1-CG2 4.34Å; I199-V225 HydrophobicContact CD1-CG1 4.36Å; I199-V225 HydrophobicContact CG1-CG1 3.92Å; P222-V225 HydrophobicContact CG-CG2 4.17Å; P222-V225 VanDerWaalsContact O-CB 3.25Å; P222-V225 WeakPolarHBondContact O-CB 3.46Å; P222-V225 PolarHBondContact O-N 3.05Å; E223-V225 PolarHBondContact O-N 3.19Å |
| 226 | E | 98.9 | Very high | 98.7 | Very high | 3 Ų | 3 | 29.9 Ų | 29.9 | 1% | 0.014 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -74.8 | -44.2 | 174.8 | -171.9 | -167.9 | 173.7 | 0 | 0 | 110.8 | A193 E194 E223 A224 E228 A229 T230 M250 S251 A254 P299 R302 | A193-E226 VanDerWaalsContact O-CA 3.25Å; A193-E226 WeakPolarHBondContact O-CA 3.42Å; A193-E226 WeakPolarHBondContact O-CG 3.25Å; A193-E226 VanDerWaalsContact O-O 3.14Å; E194-E226 HydrophobicContact CG-CB 4.48Å; E223-E226 WeakPolarHBondContact O-CB 3.45Å; E223-E226 PolarHBondContact O-N 3.33Å; A224-E226 VanDerWaalsContact C-N 3.34Å; E226-E228 PolarHBondContact O-N 2.84Å; E226-A229 PolarHBondContact O-N 3.24Å; E226-T230 VanDerWaalsContact O-CB 3.29Å; E226-T230 WeakPolarHBondContact O-CB 3.22Å; E226-T230 PolarHBondContact O-N 2.88Å; E226-T230 PolarHBondContact O-OG1 2.98Å; E226-M250 PolarHBondContact OE1-N 3.24Å; E226-S251 VanDerWaalsContact CD-OG 3.27Å; E226-S251 WeakPolarHBondContact OE2-CB 3.35Å; E226-S251 PolarHBondContact OE2-N 2.9Å; E226-S251 PolarHBondContact OE2-OG 3.47Å; E226-A254 HydrophobicContact CB-CB 4.41Å; E226-A254 HydrophobicContact CG-CB 3.73Å; E226-P299 HydrophobicContact CG-CG 4.28Å; E226-R302 IonicContact OE2-CZ 2.79Å; E226-R302 IonicContact OE2-NE 2.77Å; E226-R302 IonicContact OE2-NH2 3.85Å; E226-R302 PolarHBondContact OE2-NH2 2.81Å |
| 227 | A | 98.9 | Very high | 98.7 | Very high | 13 Ų | 13 | 30 Ų | 30 | 11% | 0.107 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -63.5 | -42.4 | -179.2 | 0 | 0 | 0 | 0 | 0 | 113 | E223 A224 T230 L231 V257 | E223-A227 PolarHBondContact O-N 3.31Å; A224-A227 PolarHBondContact O-N 2.91Å; A227-T230 PolarHBondContact O-N 3.08Å; A227-L231 PolarHBondContact O-N 3.38Å; A227-V257 HydrophobicContact CB-CG2 4.42Å |
| 228 | E | 98.9 | Very high | 98.7 | Very high | 69 Ų | 69 | 32 Ų | 32 | 32% | 0.322 | 18% | 0.182 | S | C | . | . | H | α-helix | trans | -59.2 | -52.9 | 176.1 | -177 | -78.7 | 137.9 | 0 | 0 | 111.3 | N195 A224 E226 T230 L231 R232 | N195-E228 WeakPolarHBondContact CB-OE2 3.2Å; N195-E228 PolarHBondContact ND2-OE2 3.23Å; A224-E228 WeakPolarHBondContact O-CB 3.41Å; A224-E228 PolarHBondContact O-N 3.43Å; E226-E228 PolarHBondContact O-N 2.84Å; E228-T230 VanDerWaalsContact C-N 3.29Å; E228-T230 PolarHBondContact O-N 3.34Å; E228-L231 PolarHBondContact O-N 2.66Å; E228-R232 WeakPolarHBondContact O-CB 3.45Å; E228-R232 PolarHBondContact O-N 3.47Å; E228-R232 IonicContact OE1-CZ 2.88Å; E228-R232 IonicContact OE1-NE 3.83Å; E228-R232 PolarHBondContact OE1-NE 3.46Å; E228-R232 IonicContact OE1-NH2 2.81Å; E228-R232 IonicContact OE2-CZ 3.58Å; E228-R232 IonicContact OE2-NE 3.8Å; E228-R232 IonicContact OE2-NH2 3.9Å; E228-R232 PolarHBondContact OE2-NH2 2.67Å |
| 229 | A | 98.9 | Very high | 98.7 | Very high | 0 Ų | 0 | 34.7 Ų | 34.7 | 0% | 0 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -64.6 | -36 | -178.6 | 0 | 0 | 0 | 0 | 0 | 111.7 | M162 A193 E194 E226 R232 A233 | M162-A229 HydrophobicContact CB-CB 4.48Å; M162-A229 HydrophobicContact CE-CB 3.71Å; M162-A229 WeakPolarHBondContact CE-O 3.45Å; M162-A229 HydrophobicContact SD-CB 3.95Å; M162-A229 VanDerWaalsContact SD-O 3.4Å; A193-A229 VanDerWaalsContact C-CB 3.41Å; A193-A229 HydrophobicContact CB-CB 4.21Å; E194-A229 VanDerWaalsContact C-CB 3.42Å; E226-A229 PolarHBondContact O-N 3.24Å; A229-R232 PolarHBondContact O-N 2.85Å; A229-A233 WeakPolarHBondContact O-CB 3.49Å; A229-A233 PolarHBondContact O-N 3.22Å |
| 230 | T | 98.9 | Very high | 98.7 | Very high | 0 Ų | 0 | 32.2 Ų | 32.2 | 0% | 0 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -60.2 | -48.5 | 174 | -63.3 | 0 | 0 | 0 | 0 | 111.1 | A193 E226 A227 E228 R232 A233 I234 I246 V257 I258 | A193-T230 WeakPolarHBondContact CB-OG1 3.4Å; E226-T230 VanDerWaalsContact O-CB 3.29Å; E226-T230 WeakPolarHBondContact O-CB 3.22Å; E226-T230 PolarHBondContact O-N 2.88Å; E226-T230 PolarHBondContact O-OG1 2.98Å; A227-T230 PolarHBondContact O-N 3.08Å; E228-T230 VanDerWaalsContact C-N 3.29Å; E228-T230 PolarHBondContact O-N 3.34Å; T230-R232 PolarHBondContact O-N 3.27Å; T230-A233 PolarHBondContact O-N 3.01Å; T230-I234 HydrophobicContact CG2-CD1 3.89Å; T230-I234 WeakPolarHBondContact O-CB 3.28Å; T230-I234 WeakPolarHBondContact O-CD1 3.44Å; T230-I234 VanDerWaalsContact O-CG1 3.26Å; T230-I234 WeakPolarHBondContact O-CG1 3.44Å; T230-I234 PolarHBondContact O-N 2.73Å; T230-I246 HydrophobicContact CG2-CD1 4.33Å; T230-I246 HydrophobicContact CG2-CG1 4.15Å; T230-I246 HydrophobicContact CG2-CG2 4.39Å; T230-V257 HydrophobicContact CG2-CB 4.18Å; T230-V257 HydrophobicContact CG2-CG1 3.82Å; T230-I258 HydrophobicContact CG2-CD1 4.3Å; T230-I258 HydrophobicContact CG2-CG1 3.81Å |
| 231 | L | 98.9 | Very high | 98.7 | Very high | 87 Ų | 87 | 32.7 Ų | 32.7 | 46% | 0.455 | 20% | 0.197 | S | C | . | . | H | α-helix | trans | -62.8 | -43.6 | 177.7 | 177.3 | 60.4 | 0 | 0 | 0 | 111.6 | A227 E228 I234 T235 V257 | A227-L231 PolarHBondContact O-N 3.38Å; E228-L231 PolarHBondContact O-N 2.66Å; L231-I234 PolarHBondContact O-N 2.58Å; L231-T235 WeakPolarHBondContact O-CB 3.38Å; L231-T235 PolarHBondContact O-N 2.99Å; L231-T235 PolarHBondContact O-OG1 3.19Å; L231-V257 HydrophobicContact CB-CG1 3.77Å; L231-V257 HydrophobicContact CD1-CG1 4.17Å |
| 232 | R | 98.9 | Very high | 98.7 | Very high | 45 Ų | 45 | 32 Ų | 32 | 17% | 0.17 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -63.5 | -46.3 | 178.8 | 176.2 | 157.4 | 49.7 | 103.1 | -0.3 | 111.7 | M162 D172 N195 E228 A229 T230 I234 T235 I236 | M162-R232 HydrophobicContact CE-CB 4.1Å; M162-R232 HydrophobicContact CE-CG 4Å; D172-R232 IonicContact OD1-CZ 3.37Å; D172-R232 IonicContact OD1-NH1 2.98Å; D172-R232 PolarHBondContact OD1-NH1 3.24Å; D172-R232 IonicContact OD2-NH1 3.75Å; N195-R232 PolarHBondContact ND2-NH2 2.98Å; E228-R232 WeakPolarHBondContact O-CB 3.45Å; E228-R232 PolarHBondContact O-N 3.47Å; E228-R232 IonicContact OE1-CZ 2.88Å; E228-R232 IonicContact OE1-NE 3.83Å; E228-R232 PolarHBondContact OE1-NE 3.46Å; E228-R232 IonicContact OE1-NH2 2.81Å; E228-R232 IonicContact OE2-CZ 3.58Å; E228-R232 IonicContact OE2-NE 3.8Å; E228-R232 IonicContact OE2-NH2 3.9Å; E228-R232 PolarHBondContact OE2-NH2 2.67Å; A229-R232 PolarHBondContact O-N 2.85Å; T230-R232 PolarHBondContact O-N 3.27Å; R232-I234 PolarHBondContact O-N 3.3Å; R232-T235 WeakPolarHBondContact O-CB 3.47Å; R232-T235 PolarHBondContact O-N 2.79Å; R232-I236 HydrophobicContact CG-CD1 3.96Å; R232-I236 WeakPolarHBondContact O-CG1 3.33Å; R232-I236 PolarHBondContact O-N 2.87Å |
| 233 | A | 98.9 | Very high | 98.8 | Very high | 0 Ų | 0 | 29.2 Ų | 29.2 | 0% | 0 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -58.4 | -46.7 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112 | M162 V191 A229 T230 T235 I236 A237 L244 I246 | M162-A233 HydrophobicContact SD-CB 3.8Å; V191-A233 HydrophobicContact CB-CB 4.45Å; V191-A233 HydrophobicContact CG1-CB 4.09Å; V191-A233 HydrophobicContact CG2-CB 4.38Å; A229-A233 WeakPolarHBondContact O-CB 3.49Å; A229-A233 PolarHBondContact O-N 3.22Å; T230-A233 PolarHBondContact O-N 3.01Å; A233-T235 VanDerWaalsContact C-N 3.29Å; A233-T235 PolarHBondContact O-N 2.96Å; A233-I236 PolarHBondContact O-N 3.5Å; A233-A237 WeakPolarHBondContact O-CB 3.38Å; A233-A237 PolarHBondContact O-N 2.97Å; A233-L244 VanDerWaalsContact C-CD2 3.48Å; A233-L244 HydrophobicContact CB-CD2 3.92Å; A233-I246 HydrophobicContact CB-CD1 4.36Å |
| 234 | I | 98.9 | Very high | 98.8 | Very high | 2 Ų | 2 | 26.3 Ų | 26.3 | 1% | 0.01 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -59.7 | -41.1 | 177 | -73.3 | 167 | 0 | 0 | 0 | 111.3 | T230 L231 R232 S238 L244 V257 I258 A261 K266 V268 | T230-I234 HydrophobicContact CG2-CD1 3.89Å; T230-I234 WeakPolarHBondContact O-CB 3.28Å; T230-I234 WeakPolarHBondContact O-CD1 3.44Å; T230-I234 VanDerWaalsContact O-CG1 3.26Å; T230-I234 WeakPolarHBondContact O-CG1 3.44Å; T230-I234 PolarHBondContact O-N 2.73Å; L231-I234 PolarHBondContact O-N 2.58Å; R232-I234 PolarHBondContact O-N 3.3Å; I234-S238 VanDerWaalsContact O-CB 3.26Å; I234-S238 WeakPolarHBondContact O-CB 3.47Å; I234-S238 PolarHBondContact O-N 2.62Å; I234-S238 PolarHBondContact O-OG 2.86Å; I234-L244 HydrophobicContact CB-CD2 4.3Å; I234-L244 HydrophobicContact CG1-CD2 3.72Å; I234-V257 HydrophobicContact CD1-CG1 3.92Å; I234-I258 HydrophobicContact CD1-CG1 4.34Å; I234-A261 HydrophobicContact CD1-CB 3.94Å; I234-A261 HydrophobicContact CG2-CB 3.79Å; I234-K266 HydrophobicContact CG2-CD 3.57Å; I234-V268 HydrophobicContact CD1-CG1 4.45Å; I234-V268 HydrophobicContact CD1-CG2 4.02Å; I234-V268 HydrophobicContact CG1-CB 4.36Å; I234-V268 HydrophobicContact CG1-CG2 3.87Å |
| 235 | T | 98.9 | Very high | 98.8 | Very high | 78 Ų | 78 | 23 Ų | 23 | 48% | 0.479 | 14% | 0.137 | S | C | . | . | H | α-helix | trans | -64 | -48.3 | 179.5 | -59.5 | 0 | 0 | 0 | 0 | 111 | L231 R232 A233 S238 A239 | L231-T235 WeakPolarHBondContact O-CB 3.38Å; L231-T235 PolarHBondContact O-N 2.99Å; L231-T235 PolarHBondContact O-OG1 3.19Å; R232-T235 WeakPolarHBondContact O-CB 3.47Å; R232-T235 PolarHBondContact O-N 2.79Å; A233-T235 VanDerWaalsContact C-N 3.29Å; A233-T235 PolarHBondContact O-N 2.96Å; T235-S238 PolarHBondContact O-N 2.73Å; T235-A239 PolarHBondContact O-N 2.94Å |
| 236 | I | 98.9 | Very high | 98.8 | Very high | 20 Ų | 20 | 22.6 Ų | 22.6 | 10% | 0.103 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -63.8 | -46.7 | 178.5 | -60.7 | 165.9 | 0 | 0 | 0 | 110.4 | D172 L175 Y176 F179 R232 A233 S238 A239 V240 | D172-I236 HydrophobicContact CB-CD1 4.02Å; L175-I236 HydrophobicContact CB-CD1 4.31Å; L175-I236 HydrophobicContact CB-CG2 4.43Å; L175-I236 HydrophobicContact CD1-CD1 4.15Å; Y176-I236 HydrophobicContact CD2-CG2 4.3Å; F179-I236 HydrophobicContact CD2-CB 4.18Å; F179-I236 HydrophobicContact CD2-CG2 3.69Å; F179-I236 HydrophobicContact CE2-CB 4Å; F179-I236 HydrophobicContact CE2-CG2 3.9Å; R232-I236 HydrophobicContact CG-CD1 3.96Å; R232-I236 WeakPolarHBondContact O-CG1 3.33Å; R232-I236 PolarHBondContact O-N 2.87Å; A233-I236 PolarHBondContact O-N 3.5Å; I236-S238 VanDerWaalsContact C-N 3.31Å; I236-S238 PolarHBondContact O-N 3.28Å; I236-A239 WeakPolarHBondContact O-CB 3.45Å; I236-A239 PolarHBondContact O-N 3.42Å; I236-V240 PolarHBondContact O-N 3.27Å |
| 237 | A | 98.9 | Very high | 98.8 | Very high | 2 Ų | 2 | 22.5 Ų | 22.5 | 2% | 0.017 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -61.5 | -39.9 | 179 | 0 | 0 | 0 | 0 | 0 | 112.2 | F179 A233 V240 N241 C242 L244 | F179-A237 HydrophobicContact CD2-CB 3.79Å; F179-A237 HydrophobicContact CE2-CB 3.95Å; A233-A237 WeakPolarHBondContact O-CB 3.38Å; A233-A237 PolarHBondContact O-N 2.97Å; A237-V240 WeakPolarHBondContact O-CG2 3.27Å; A237-V240 PolarHBondContact O-N 3.19Å; A237-N241 PolarHBondContact O-N 3.48Å; A237-C242 PolarHBondContact O-N 3.08Å; A237-L244 HydrophobicContact CB-CB 3.84Å; A237-L244 HydrophobicContact CB-CD1 4.33Å; A237-L244 HydrophobicContact CB-CD2 3.9Å; A237-L244 HydrophobicContact CB-CG 4.26Å |
| 238 | S | 98.4 | Very high | 98.7 | Very high | 42 Ų | 42 | 22.2 Ų | 22.2 | 29% | 0.294 | 13% | 0.13 | S | C | . | . | H | α-helix | trans | -65.1 | -38.7 | 176.3 | -59.7 | 0 | 0 | 0 | 0 | 112 | I234 T235 I236 V240 N241 | I234-S238 VanDerWaalsContact O-CB 3.26Å; I234-S238 WeakPolarHBondContact O-CB 3.47Å; I234-S238 PolarHBondContact O-N 2.62Å; I234-S238 PolarHBondContact O-OG 2.86Å; T235-S238 PolarHBondContact O-N 2.73Å; I236-S238 VanDerWaalsContact C-N 3.31Å; I236-S238 PolarHBondContact O-N 3.28Å; S238-V240 PolarHBondContact O-N 3.04Å; S238-N241 PolarHBondContact O-N 3.21Å; S238-N241 VanDerWaalsContact O-N 3.12Å |
| 239 | A | 98.4 | Very high | 98.7 | Very high | 75 Ų | 75 | 18.9 Ų | 18.9 | 62% | 0.62 | 12% | 0.115 | S | C | * | . | H | α-helix | trans | -62.5 | -29.4 | 179 | 0 | 0 | 0 | 0 | 0 | 113.2 | T235 I236 | T235-A239 PolarHBondContact O-N 2.94Å; I236-A239 WeakPolarHBondContact O-CB 3.45Å; I236-A239 PolarHBondContact O-N 3.42Å |
| 240 | V | 98.3 | Very high | 98.7 | Very high | 17 Ų | 17 | 19 Ų | 19 | 10% | 0.103 | 12% | 0.115 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -103.4 | 4.1 | 176.5 | -57.6 | 0 | 0 | 0 | 0 | 113 | Y176 F179 S180 K183 I236 A237 S238 C242 | Y176-V240 HydrophobicContact CD1-CG1 4.32Å; Y176-V240 HydrophobicContact CD2-CG1 3.53Å; Y176-V240 HydrophobicContact CE1-CG1 4.01Å; Y176-V240 HydrophobicContact CE2-CG1 3.16Å; Y176-V240 HydrophobicContact CG-CG1 4.1Å; Y176-V240 VanDerWaalsContact CZ-CG1 3.42Å; F179-V240 HydrophobicContact CB-CG2 3.66Å; S180-V240 WeakPolarHBondContact OG-CG1 3.2Å; K183-V240 WeakPolarHBondContact CD-O 3.36Å; I236-V240 PolarHBondContact O-N 3.27Å; A237-V240 WeakPolarHBondContact O-CG2 3.27Å; A237-V240 PolarHBondContact O-N 3.19Å; S238-V240 PolarHBondContact O-N 3.04Å; V240-C242 HydrophobicContact CG2-CB 3.66Å; V240-C242 PolarHBondContact O-N 3Å |
| 241 | N | 98.5 | Very high | 98.7 | Very high | 15 Ų | 15 | 19 Ų | 19 | 8% | 0.08 | 12% | 0.115 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 53.1 | 36.6 | -174.6 | -168.5 | 31.5 | 0 | 0 | 0 | 114.1 | K183 A237 S238 I476 R479 D480 | K183-N241 HydrophobicContact CD-CB 4.36Å; K183-N241 WeakPolarHBondContact CD-O 3.46Å; K183-N241 WeakPolarHBondContact CE-O 3.36Å; A237-N241 PolarHBondContact O-N 3.48Å; S238-N241 PolarHBondContact O-N 3.21Å; S238-N241 VanDerWaalsContact O-N 3.12Å; N241-I476 PolarHBondContact ND2-O 2.9Å; N241-I476 WeakPolarHBondContact O-CG2 3.45Å; N241-R479 VanDerWaalsContact OD1-CD 3.28Å; N241-R479 WeakPolarHBondContact OD1-CD 3.46Å; N241-R479 PolarHBondContact OD1-NH1 2.84Å; N241-D480 PolarHBondContact ND2-OD1 2.99Å |
| 242 | C | 98.8 | Very high | 98.7 | Very high | 4 Ų | 4 | 16.8 Ų | 16.8 | 3% | 0.027 | 10% | 0.102 | C | C | . | . | trans | -87.8 | 139.5 | 174.8 | 179.7 | 0 | 0 | 0 | 0 | 110.3 | F179 K183 A237 V240 | F179-C242 HydrophobicContact CB-CB 3.9Å; F179-C242 WeakPolarHBondContact O-CB 3.35Å; F179-C242 PolarHBondContact O-SG 3.21Å; K183-C242 HydrophobicContact CB-CB 4.22Å; A237-C242 PolarHBondContact O-N 3.08Å; V240-C242 HydrophobicContact CG2-CB 3.66Å; V240-C242 PolarHBondContact O-N 3Å | ||
| 243 | P | 98.8 | Very high | 98.7 | Very high | 0 Ų | 0 | 16 Ų | 16 | 0% | 0 | 10% | 0.103 | C | C | . | . | trans | -69.7 | 139 | 169 | 26.6 | -24.8 | 0 | 0 | 0 | 110.6 | I188 A189 V267 I472 Y473 I476 | I188-P243 HydrophobicContact CG1-CB 4.22Å; I188-P243 HydrophobicContact CG1-CG 4.4Å; A189-P243 PolarHBondContact N-O 2.98Å; P243-V267 HydrophobicContact CB-CG1 3.63Å; P243-I472 HydrophobicContact CB-CG2 3.26Å; P243-I472 HydrophobicContact CG-CG2 3.54Å; P243-Y473 HydrophobicContact CG-CE1 4.49Å; P243-Y473 HydrophobicContact CG-CE2 3.96Å; P243-I476 HydrophobicContact CB-CD1 3.8Å; P243-I476 VanDerWaalsContact CD-CD1 3.46Å; P243-I476 HydrophobicContact CG-CD1 3.61Å | ||
| 244 | L | 98.9 | Very high | 98.7 | Very high | 2 Ų | 2 | 16 Ų | 16 | 1% | 0.01 | 10% | 0.103 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.9 | 140.7 | -176.8 | -173.1 | 65.2 | 0 | 0 | 0 | 111.7 | F179 A189 V191 A233 I234 A237 I246 V267 V268 Y269 | F179-L244 HydrophobicContact CE1-CD1 4.3Å; F179-L244 HydrophobicContact CE2-CD1 4.46Å; F179-L244 HydrophobicContact CZ-CD1 4Å; A189-L244 HydrophobicContact CB-CD1 4.16Å; A189-L244 CarbonylContact O-C 3.34Å; A189-L244 WeakPolarHBondContact O-CA 3.36Å; V191-L244 HydrophobicContact CB-CD1 4.34Å; V191-L244 HydrophobicContact CG2-CD1 3.55Å; A233-L244 VanDerWaalsContact C-CD2 3.48Å; A233-L244 HydrophobicContact CB-CD2 3.92Å; I234-L244 HydrophobicContact CB-CD2 4.3Å; I234-L244 HydrophobicContact CG1-CD2 3.72Å; A237-L244 HydrophobicContact CB-CB 3.84Å; A237-L244 HydrophobicContact CB-CD1 4.33Å; A237-L244 HydrophobicContact CB-CD2 3.9Å; A237-L244 HydrophobicContact CB-CG 4.26Å; L244-I246 HydrophobicContact CD2-CD1 3.69Å; L244-I246 HydrophobicContact CG-CD1 3.94Å; L244-V267 PolarHBondContact N-O 2.96Å; L244-V268 HydrophobicContact CB-CG2 4.35Å; L244-V268 HydrophobicContact CD2-CG2 4.44Å; L244-V268 HydrophobicContact CG-CG2 4.48Å; L244-V268 CarbonylContact O-C 3.59Å; L244-V268 VanDerWaalsContact O-CA 3.25Å; L244-V268 WeakPolarHBondContact O-CA 3.34Å; L244-Y269 PolarHBondContact O-N 2.89Å |
| 245 | Y | 98.9 | Very high | 98.7 | Very high | 0 Ų | 0 | 15.9 Ų | 15.9 | 0% | 0 | 10% | 0.103 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.2 | 112.6 | 175.7 | -172.1 | -78 | 0 | 0 | 0 | 108.8 | T66 I188 A189 Q190 V191 V247 Y269 E271 T322 I385 F386 | T66-Y245 PolarHBondContact OG1-OH 2.75Å; I188-Y245 HydrophobicContact CD1-CD2 4.17Å; I188-Y245 HydrophobicContact CD1-CG 4.42Å; A189-Y245 PolarHBondContact O-N 2.87Å; Q190-Y245 CarbonylContact C-O 3.44Å; Q190-Y245 WeakPolarHBondContact CA-O 3.48Å; Q190-Y245 HydrophobicContact CG-CD1 4.06Å; Q190-Y245 HydrophobicContact CG-CG 4.29Å; V191-Y245 PolarHBondContact N-O 2.67Å; Y245-V247 HydrophobicContact CD1-CB 4.44Å; Y245-V247 HydrophobicContact CD1-CG1 3.66Å; Y245-V247 HydrophobicContact CE1-CB 4.33Å; Y245-V247 HydrophobicContact CE1-CG1 3.83Å; Y245-V247 PolarHBondContact O-N 2.57Å; Y245-Y269 WeakPolarHBondContact CA-O 3.23Å; Y245-Y269 HydrophobicContact CD2-CG 4.46Å; Y245-E271 HydrophobicContact CE1-CB 3.52Å; Y245-E271 HydrophobicContact CE1-CG 4.13Å; Y245-E271 VanDerWaalsContact CE1-OE2 3.28Å; Y245-E271 WeakPolarHBondContact CE1-OE2 3.43Å; Y245-E271 WeakPolarHBondContact OH-CB 3.3Å; Y245-E271 VanDerWaalsContact OH-CD 3.31Å; Y245-E271 WeakPolarHBondContact OH-CG 3.32Å; Y245-E271 PolarHBondContact OH-OE2 2.81Å; Y245-T322 HydrophobicContact CE2-CG2 4.46Å; Y245-T322 WeakPolarHBondContact CE2-OG1 3.31Å; Y245-T322 PolarHBondContact OH-OG1 3.37Å; Y245-I385 HydrophobicContact CD2-CD1 4.45Å; Y245-I385 HydrophobicContact CD2-CG2 4.08Å; Y245-I385 HydrophobicContact CE2-CD1 4.13Å; Y245-I385 HydrophobicContact CE2-CG2 4.2Å; Y245-F386 HydrophobicContact CD2-CZ 4.33Å; Y245-F386 HydrophobicContact CE2-CE2 4.29Å; Y245-F386 AromaticContact CE2-CZ 3.99Å; Y245-F386 HydrophobicContact CE2-CZ 3.99Å |
| 246 | I | 98.9 | Very high | 98.7 | Very high | 1 Ų | 1 | 17.4 Ų | 17.4 | 1% | 0.005 | 10% | 0.103 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.1 | 111.1 | 175.1 | -51.5 | -61.5 | 0 | 0 | 0 | 106.9 | V191 A193 T230 A233 L244 V249 I258 V268 Y269 E271 | V191-I246 HydrophobicContact CB-CD1 4.47Å; A193-I246 HydrophobicContact CB-CG2 4.25Å; T230-I246 HydrophobicContact CG2-CD1 4.33Å; T230-I246 HydrophobicContact CG2-CG1 4.15Å; T230-I246 HydrophobicContact CG2-CG2 4.39Å; A233-I246 HydrophobicContact CB-CD1 4.36Å; L244-I246 HydrophobicContact CD2-CD1 3.69Å; L244-I246 HydrophobicContact CG-CD1 3.94Å; I246-V249 HydrophobicContact CB-CG2 4.29Å; I246-V249 HydrophobicContact CG2-CG2 3.91Å; I246-I258 HydrophobicContact CB-CD1 3.81Å; I246-I258 HydrophobicContact CB-CG1 4.5Å; I246-I258 HydrophobicContact CG1-CD1 4Å; I246-I258 HydrophobicContact CG1-CG1 4.14Å; I246-I258 HydrophobicContact CG2-CD1 4.05Å; I246-V268 HydrophobicContact CG1-CG2 3.99Å; I246-Y269 PolarHBondContact N-O 2.76Å; I246-E271 PolarHBondContact O-N 3.19Å |
| 247 | V | 98.7 | Very high | 98.7 | Very high | 1 Ų | 1 | 17.9 Ų | 17.9 | 1% | 0.006 | 11% | 0.106 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -80.8 | 164.2 | 179.5 | -43 | 0 | 0 | 0 | 0 | 110.3 | H67 K159 Q190 V191 Y245 V249 E271 | H67-V247 VanDerWaalsContact CE1-CG2 3.47Å; H67-V247 WeakPolarHBondContact CE1-CG2 3.38Å; K159-V247 HydrophobicContact CD-CG1 4.46Å; Q190-V247 HydrophobicContact CB-CG1 3.88Å; Q190-V247 HydrophobicContact CG-CG1 4.29Å; V191-V247 PolarHBondContact O-N 3.45Å; Y245-V247 HydrophobicContact CD1-CB 4.44Å; Y245-V247 HydrophobicContact CD1-CG1 3.66Å; Y245-V247 HydrophobicContact CE1-CB 4.33Å; Y245-V247 HydrophobicContact CE1-CG1 3.83Å; Y245-V247 PolarHBondContact O-N 2.57Å; V247-V249 VanDerWaalsContact C-N 3.35Å; V247-V249 PolarHBondContact O-N 2.86Å; V247-E271 WeakPolarHBondContact CB-OE1 3.22Å |
| 248 | H | 96.6 | Very high | 98.7 | Very high | 6 Ų | 6 | 17.8 Ų | 17.8 | 3% | 0.028 | 11% | 0.106 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 34.3 | 61.3 | 174.8 | 60 | 35.5 | 0 | 0 | 0 | 113.7 | H67 H192 M250 E271 I273 P299 D326 | H67-H248 AromaticContact CE1-CD2 3.39Å; H67-H248 PolarHBondContact CE1-CD2 3.02Å; H192-H248 AromaticContact CE1-CE1 3.78Å; H192-H248 AromaticContact CE1-NE2 3.8Å; H192-H248 AromaticContact CG-CE1 3.57Å; H192-H248 AromaticContact CG-NE2 3.65Å; H192-H248 AromaticContact ND1-CE1 3.03Å; H192-H248 PolarHBondContact ND1-CE1 3.47Å; H192-H248 AromaticContact ND1-NE2 2.86Å; H192-H248 PolarHBondContact ND1-NE2 3.11Å; H248-M250 HydrophobicContact CB-SD 4.31Å; H248-M250 VanDerWaalsContact O-CG 3.28Å; H248-M250 WeakPolarHBondContact O-CG 3.33Å; H248-M250 PolarHBondContact O-N 2.86Å; H248-E271 CarbonylContact C-O 3.52Å; H248-E271 VanDerWaalsContact CA-O 3.23Å; H248-E271 WeakPolarHBondContact CA-O 3.4Å; H248-E271 PolarHBondContact N-O 2.95Å; H248-E271 PolarHBondContact N-OE1 2.96Å; H248-E271 VanDerWaalsContact N-OE1 3.11Å; H248-I273 HydrophobicContact CB-CD1 4.22Å; H248-I273 HydrophobicContact CB-CG1 4.48Å; H248-I273 HydrophobicContact CB-CG2 3.91Å; H248-P299 WeakPolarHBondContact CE1-CD 3.24Å; H248-P299 WeakPolarHBondContact ND1-CD 3.48Å; H248-D326 IonicContact CD2-OD2 3.14Å |
| 249 | V | 98.9 | Very high | 98.7 | Very high | 0 Ų | 0 | 15.9 Ų | 15.9 | 0% | 0 | 9% | 0.092 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -69.4 | 114.1 | 174.5 | -178.8 | 0 | 0 | 0 | 0 | 108.1 | I246 V247 A254 A255 I258 E271 S276 L311 L320 | I246-V249 HydrophobicContact CB-CG2 4.29Å; I246-V249 HydrophobicContact CG2-CG2 3.91Å; V247-V249 VanDerWaalsContact C-N 3.35Å; V247-V249 PolarHBondContact O-N 2.86Å; V249-A254 HydrophobicContact CG1-CB 4.35Å; V249-A255 HydrophobicContact CG1-CB 3.89Å; V249-I258 HydrophobicContact CG1-CD1 4.32Å; V249-I258 HydrophobicContact CG2-CD1 3.56Å; V249-E271 PolarHBondContact N-O 3.39Å; V249-S276 PolarHBondContact O-OG 3.32Å; V249-L311 HydrophobicContact CG1-CD2 4.32Å; V249-L320 HydrophobicContact CG1-CD2 4.33Å; V249-L320 HydrophobicContact CG2-CD2 4.34Å |
| 250 | M | 98.8 | Very high | 98.7 | Very high | 1 Ų | 1 | 14.9 Ų | 14.9 | 1% | 0.005 | 8% | 0.076 | C | C | . | . | trans | -106.8 | -20.1 | -172.3 | -55.5 | -55.1 | -81 | 0 | 0 | 113.1 | E226 H248 I273 M297 P299 L301 R302 T307 | E226-M250 PolarHBondContact OE1-N 3.24Å; H248-M250 HydrophobicContact CB-SD 4.31Å; H248-M250 VanDerWaalsContact O-CG 3.28Å; H248-M250 WeakPolarHBondContact O-CG 3.33Å; H248-M250 PolarHBondContact O-N 2.86Å; M250-I273 HydrophobicContact CE-CD1 3.94Å; M250-I273 HydrophobicContact CE-CG1 4.31Å; M250-I273 HydrophobicContact SD-CD1 3.67Å; M250-I273 HydrophobicContact SD-CG1 3.69Å; M250-M297 HydrophobicContact CE-CG 4.28Å; M250-M297 HydrophobicContact CE-SD 3.67Å; M250-P299 HydrophobicContact CB-CB 4.06Å; M250-P299 HydrophobicContact CG-CB 3.65Å; M250-P299 HydrophobicContact CG-CG 3.85Å; M250-L301 HydrophobicContact CE-CD2 3.75Å; M250-L301 HydrophobicContact CE-CG 4.2Å; M250-R302 VanDerWaalsContact O-CG 3.23Å; M250-R302 WeakPolarHBondContact O-CG 3.31Å; M250-T307 WeakPolarHBondContact O-CG2 3.05Å | ||
| 251 | S | 98.9 | Very high | 98.7 | Very high | 0 Ų | 0 | 14.2 Ų | 14.2 | 0% | 0 | 7% | 0.073 | C | C | . | . | trans | -121.9 | 156.9 | -172.9 | 61.7 | 0 | 0 | 0 | 0 | 115.5 | E223 E226 S253 A254 A255 | E223-S251 VanDerWaalsContact CB-CB 3.45Å; E226-S251 VanDerWaalsContact CD-OG 3.27Å; E226-S251 WeakPolarHBondContact OE2-CB 3.35Å; E226-S251 PolarHBondContact OE2-N 2.9Å; E226-S251 PolarHBondContact OE2-OG 3.47Å; S251-S253 VanDerWaalsContact C-N 3.34Å; S251-A254 VanDerWaalsContact OG-CB 3.27Å; S251-A254 WeakPolarHBondContact OG-CB 3.34Å; S251-A254 PolarHBondContact OG-N 3.21Å; S251-A255 WeakPolarHBondContact O-CB 3.38Å; S251-A255 PolarHBondContact O-N 2.98Å; S251-A255 VanDerWaalsContact O-N 3.08Å | ||
| 252 | K | 98.9 | Very high | 98.7 | Very high | 42 Ų | 42 | 16 Ų | 16 | 18% | 0.183 | 8% | 0.079 | C | C | . | . | H | α-helix | trans | -63 | -40.9 | 173.4 | -58 | -175 | 178.5 | 171.4 | 0 | 111.9 | A255 K256 D304 S306 T307 F310 | K252-A255 PolarHBondContact O-N 2.84Å; K252-K256 WeakPolarHBondContact O-CB 3.44Å; K252-K256 PolarHBondContact O-N 3.43Å; K252-D304 WeakPolarHBondContact CE-OD2 3.49Å; K252-D304 IonicContact NZ-OD1 3.55Å; K252-D304 IonicContact NZ-OD2 3.78Å; K252-D304 PolarHBondContact NZ-OD2 2.77Å; K252-S306 WeakPolarHBondContact CE-O 3.48Å; K252-S306 PolarHBondContact NZ-OG 3.03Å; K252-T307 HydrophobicContact CG-CG2 4.16Å; K252-F310 HydrophobicContact CB-CD1 3.73Å; K252-F310 HydrophobicContact CB-CE1 3.75Å; K252-F310 HydrophobicContact CB-CG 4.38Å; K252-F310 HydrophobicContact CB-CZ 4.44Å; K252-F310 HydrophobicContact CD-CB 4.14Å; K252-F310 HydrophobicContact CD-CD1 4.16Å; K252-F310 HydrophobicContact CD-CD2 4.41Å; K252-F310 HydrophobicContact CD-CG 3.99Å; K252-F310 HydrophobicContact CG-CB 4.06Å; K252-F310 HydrophobicContact CG-CD1 3.54Å; K252-F310 HydrophobicContact CG-CE1 4.09Å; K252-F310 HydrophobicContact CG-CG 3.84Å |
| 253 | S | 98.8 | Very high | 98.7 | Very high | 28 Ų | 28 | 23.3 Ų | 23.3 | 20% | 0.196 | 11% | 0.106 | C | C | . | . | H | α-helix | trans | -67.8 | -44.2 | -178 | 44.6 | 0 | 0 | 0 | 0 | 112.2 | E223 S251 K256 V257 | E223-S253 WeakPolarHBondContact OE1-CB 3.35Å; E223-S253 PolarHBondContact OE1-OG 3.39Å; S251-S253 VanDerWaalsContact C-N 3.34Å; S253-K256 PolarHBondContact O-N 2.98Å; S253-V257 WeakPolarHBondContact O-CG2 3.5Å; S253-V257 PolarHBondContact O-N 2.72Å |
| 254 | A | 98.9 | Very high | 98.7 | Very high | 0 Ų | 0 | 28.7 Ų | 28.7 | 0% | 0 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -63.3 | -42.8 | 173.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | E226 V249 S251 K256 V257 I258 | E226-A254 HydrophobicContact CB-CB 4.41Å; E226-A254 HydrophobicContact CG-CB 3.73Å; V249-A254 HydrophobicContact CG1-CB 4.35Å; S251-A254 VanDerWaalsContact OG-CB 3.27Å; S251-A254 WeakPolarHBondContact OG-CB 3.34Å; S251-A254 PolarHBondContact OG-N 3.21Å; A254-K256 VanDerWaalsContact C-N 3.32Å; A254-K256 PolarHBondContact O-N 3.28Å; A254-V257 WeakPolarHBondContact O-CB 3.18Å; A254-V257 PolarHBondContact O-N 3.39Å; A254-I258 WeakPolarHBondContact O-CG1 3.5Å; A254-I258 PolarHBondContact O-N 3.2Å |
| 255 | A | 98.9 | Very high | 98.6 | Very high | 0 Ų | 0 | 30.2 Ų | 30.2 | 0% | 0 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -62.7 | -37.5 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | V249 S251 K252 I258 A259 F310 L311 L314 L320 | V249-A255 HydrophobicContact CG1-CB 3.89Å; S251-A255 WeakPolarHBondContact O-CB 3.38Å; S251-A255 PolarHBondContact O-N 2.98Å; S251-A255 VanDerWaalsContact O-N 3.08Å; K252-A255 PolarHBondContact O-N 2.84Å; A255-I258 PolarHBondContact O-N 2.97Å; A255-A259 WeakPolarHBondContact O-CB 3.24Å; A255-A259 PolarHBondContact O-N 2.8Å; A255-F310 HydrophobicContact CB-CE1 4.48Å; A255-L311 HydrophobicContact CB-CD2 3.53Å; A255-L314 HydrophobicContact CB-CD1 3.5Å; A255-L314 VanDerWaalsContact CB-CD1 3.5Å; A255-L320 HydrophobicContact CB-CD1 4.21Å; A255-L320 HydrophobicContact CB-CD2 4.32Å |
| 256 | K | 98.9 | Very high | 98.6 | Very high | 110 Ų | 110 | 32.8 Ų | 32.8 | 48% | 0.478 | 16% | 0.162 | S | C | . | . | H | α-helix | trans | -64.3 | -41.8 | 173.6 | 178.1 | 166.1 | 171.7 | 46.3 | 0 | 112.2 | K252 S253 A254 I258 A259 D260 | K252-K256 WeakPolarHBondContact O-CB 3.44Å; K252-K256 PolarHBondContact O-N 3.43Å; S253-K256 PolarHBondContact O-N 2.98Å; A254-K256 VanDerWaalsContact C-N 3.32Å; A254-K256 PolarHBondContact O-N 3.28Å; K256-I258 VanDerWaalsContact C-N 3.28Å; K256-I258 PolarHBondContact O-N 3.29Å; K256-A259 PolarHBondContact O-N 2.81Å; K256-D260 WeakPolarHBondContact CG-OD2 3.43Å; K256-D260 IonicContact NZ-OD1 3.88Å; K256-D260 IonicContact NZ-OD2 2.7Å; K256-D260 PolarHBondContact NZ-OD2 3.1Å; K256-D260 WeakPolarHBondContact O-CB 3.43Å; K256-D260 VanDerWaalsContact O-CG 3.32Å; K256-D260 PolarHBondContact O-N 2.97Å |
| 257 | V | 98.9 | Very high | 98.6 | Very high | 30 Ų | 30 | 33 Ų | 33 | 18% | 0.182 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -58.9 | -42.3 | 174.9 | 170.5 | 0 | 0 | 0 | 0 | 110.8 | A227 T230 L231 I234 S253 A254 A261 | A227-V257 HydrophobicContact CB-CG2 4.42Å; T230-V257 HydrophobicContact CG2-CB 4.18Å; T230-V257 HydrophobicContact CG2-CG1 3.82Å; L231-V257 HydrophobicContact CB-CG1 3.77Å; L231-V257 HydrophobicContact CD1-CG1 4.17Å; I234-V257 HydrophobicContact CD1-CG1 3.92Å; S253-V257 WeakPolarHBondContact O-CG2 3.5Å; S253-V257 PolarHBondContact O-N 2.72Å; A254-V257 WeakPolarHBondContact O-CB 3.18Å; A254-V257 PolarHBondContact O-N 3.39Å; V257-A261 VanDerWaalsContact O-CB 3.24Å; V257-A261 WeakPolarHBondContact O-CB 3.35Å; V257-A261 PolarHBondContact O-N 3.34Å |
| 258 | I | 98.9 | Very high | 98.6 | Very high | 0 Ų | 0 | 33 Ų | 33 | 0% | 0 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -64.3 | -48.4 | 176.2 | -64.9 | 165.3 | 0 | 0 | 0 | 110.8 | T230 I234 I246 V249 A254 A255 K256 D260 A261 R262 V268 L320 | T230-I258 HydrophobicContact CG2-CD1 4.3Å; T230-I258 HydrophobicContact CG2-CG1 3.81Å; I234-I258 HydrophobicContact CD1-CG1 4.34Å; I246-I258 HydrophobicContact CB-CD1 3.81Å; I246-I258 HydrophobicContact CB-CG1 4.5Å; I246-I258 HydrophobicContact CG1-CD1 4Å; I246-I258 HydrophobicContact CG1-CG1 4.14Å; I246-I258 HydrophobicContact CG2-CD1 4.05Å; V249-I258 HydrophobicContact CG1-CD1 4.32Å; V249-I258 HydrophobicContact CG2-CD1 3.56Å; A254-I258 WeakPolarHBondContact O-CG1 3.5Å; A254-I258 PolarHBondContact O-N 3.2Å; A255-I258 PolarHBondContact O-N 2.97Å; K256-I258 VanDerWaalsContact C-N 3.28Å; K256-I258 PolarHBondContact O-N 3.29Å; I258-D260 PolarHBondContact O-N 3.32Å; I258-A261 PolarHBondContact O-N 3.3Å; I258-R262 HydrophobicContact CG2-CG 4.45Å; I258-R262 WeakPolarHBondContact O-CG 3.44Å; I258-R262 PolarHBondContact O-N 3.37Å; I258-V268 HydrophobicContact CG2-CG1 4.32Å; I258-V268 HydrophobicContact CG2-CG2 4.44Å; I258-L320 HydrophobicContact CD1-CD2 4.18Å; I258-L320 HydrophobicContact CG2-CD2 4.47Å |
| 259 | A | 98.9 | Very high | 98.7 | Very high | 2 Ų | 2 | 33 Ų | 33 | 2% | 0.017 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -57.4 | -49 | 179.2 | 0 | 0 | 0 | 0 | 0 | 111.7 | A255 K256 A261 R262 R263 D319 | A255-A259 WeakPolarHBondContact O-CB 3.24Å; A255-A259 PolarHBondContact O-N 2.8Å; K256-A259 PolarHBondContact O-N 2.81Å; A259-A261 PolarHBondContact O-N 3.38Å; A259-R262 PolarHBondContact O-N 3.34Å; A259-R263 WeakPolarHBondContact O-CG 3.34Å; A259-R263 PolarHBondContact O-N 3.26Å; A259-D319 HydrophobicContact CB-CB 3.8Å |
| 260 | D | 98.9 | Very high | 98.7 | Very high | 53 Ų | 53 | 33 Ų | 33 | 28% | 0.283 | 16% | 0.163 | S | C | . | . | H | α-helix | trans | -65 | -40.6 | -179.9 | -67.5 | -21.1 | 0 | 0 | 0 | 110.8 | K256 I258 R262 R263 D264 | K256-D260 WeakPolarHBondContact CG-OD2 3.43Å; K256-D260 IonicContact NZ-OD1 3.88Å; K256-D260 IonicContact NZ-OD2 2.7Å; K256-D260 PolarHBondContact NZ-OD2 3.1Å; K256-D260 WeakPolarHBondContact O-CB 3.43Å; K256-D260 VanDerWaalsContact O-CG 3.32Å; K256-D260 PolarHBondContact O-N 2.97Å; I258-D260 PolarHBondContact O-N 3.32Å; D260-R262 PolarHBondContact O-N 3.05Å; D260-R263 PolarHBondContact O-N 3.34Å; D260-R263 IonicContact OD1-CZ 2.7Å; D260-R263 IonicContact OD1-NH1 2.74Å; D260-R263 PolarHBondContact OD1-NH1 2.95Å; D260-D264 PolarHBondContact O-N 3.03Å |
| 261 | A | 98.8 | Very high | 98.7 | Very high | 4 Ų | 4 | 32.9 Ų | 32.9 | 3% | 0.033 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -62.3 | -38.1 | 173.6 | 0 | 0 | 0 | 0 | 0 | 113.6 | I234 V257 I258 A259 D264 G265 K266 V268 | I234-A261 HydrophobicContact CD1-CB 3.94Å; I234-A261 HydrophobicContact CG2-CB 3.79Å; V257-A261 VanDerWaalsContact O-CB 3.24Å; V257-A261 WeakPolarHBondContact O-CB 3.35Å; V257-A261 PolarHBondContact O-N 3.34Å; I258-A261 PolarHBondContact O-N 3.3Å; A259-A261 PolarHBondContact O-N 3.38Å; A261-D264 WeakPolarHBondContact O-CB 3.46Å; A261-D264 PolarHBondContact O-N 2.8Å; A261-G265 PolarHBondContact O-N 3.06Å; A261-K266 HydrophobicContact CB-CB 4.35Å; A261-K266 HydrophobicContact CB-CD 3.8Å; A261-K266 WeakPolarHBondContact O-CB 3.39Å; A261-K266 WeakPolarHBondContact O-CG 3.27Å; A261-K266 PolarHBondContact O-N 3.07Å; A261-V268 HydrophobicContact CB-CG1 3.88Å |
| 262 | R | 98.4 | Very high | 98.7 | Very high | 52 Ų | 52 | 32.9 Ų | 32.9 | 20% | 0.196 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -67.2 | -39.5 | 175.5 | -72.1 | 176.4 | 64.2 | 80.2 | -7.2 | 111.3 | I258 A259 D260 D264 G265 V268 D318 D319 | I258-R262 HydrophobicContact CG2-CG 4.45Å; I258-R262 WeakPolarHBondContact O-CG 3.44Å; I258-R262 PolarHBondContact O-N 3.37Å; A259-R262 PolarHBondContact O-N 3.34Å; D260-R262 PolarHBondContact O-N 3.05Å; R262-D264 VanDerWaalsContact C-N 3.27Å; R262-D264 PolarHBondContact O-N 3.27Å; R262-G265 WeakPolarHBondContact O-CA 3.33Å; R262-G265 PolarHBondContact O-N 2.84Å; R262-V268 HydrophobicContact CG-CG1 3.64Å; R262-V268 PolarHBondContact NH1-O 2.85Å; R262-D318 PolarHBondContact NE-O 3.3Å; R262-D318 PolarHBondContact NH2-O 3.46Å; R262-D318 VanDerWaalsContact NH2-O 3.13Å; R262-D318 IonicContact NH2-OD2 3.68Å; R262-D318 PolarHBondContact NH2-OD2 2.92Å; R262-D319 VanDerWaalsContact CD-O 3.29Å; R262-D319 WeakPolarHBondContact CD-O 3.38Å |
| 263 | R | 98.2 | Very high | 98.7 | Very high | 158 Ų | 158 | 30.9 Ų | 30.9 | 60% | 0.596 | 15% | 0.154 | S | C | * | . | H | α-helix | trans | -62.7 | -33.3 | 173.8 | -68.6 | 170.5 | -166.7 | 150.1 | 3.6 | 112.3 | A259 D260 G265 D319 | A259-R263 WeakPolarHBondContact O-CG 3.34Å; A259-R263 PolarHBondContact O-N 3.26Å; D260-R263 PolarHBondContact O-N 3.34Å; D260-R263 IonicContact OD1-CZ 2.7Å; D260-R263 IonicContact OD1-NH1 2.74Å; D260-R263 PolarHBondContact OD1-NH1 2.95Å; R263-G265 PolarHBondContact O-N 3.15Å; R263-D319 IonicContact NH2-OD1 3.9Å; R263-D319 IonicContact NH2-OD2 3.37Å; R263-D319 PolarHBondContact NH2-OD2 3.44Å |
| 264 | D | 98.3 | Very high | 98.7 | Very high | 112 Ų | 112 | 29.6 Ų | 29.6 | 60% | 0.599 | 15% | 0.145 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -70.6 | -2.8 | 170 | -64.3 | -19.6 | 0 | 0 | 0 | 113.6 | D260 A261 R262 K266 | D260-D264 PolarHBondContact O-N 3.03Å; A261-D264 WeakPolarHBondContact O-CB 3.46Å; A261-D264 PolarHBondContact O-N 2.8Å; R262-D264 VanDerWaalsContact C-N 3.27Å; R262-D264 PolarHBondContact O-N 3.27Å; D264-K266 HydrophobicContact CB-CD 4.41Å; D264-K266 HydrophobicContact CB-CG 4.26Å; D264-K266 IonicContact OD2-NZ 2.84Å; D264-K266 PolarHBondContact OD2-NZ 3.34Å |
| 265 | G | 98 | Very high | 98.7 | Very high | 35 Ų | 35 | 29.6 Ų | 29.6 | 36% | 0.361 | 15% | 0.145 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 80.1 | 11.3 | -177.3 | 0 | 0 | 0 | 0 | 0 | 114.6 | A261 R262 R263 R479 | A261-G265 PolarHBondContact O-N 3.06Å; R262-G265 WeakPolarHBondContact O-CA 3.33Å; R262-G265 PolarHBondContact O-N 2.84Å; R263-G265 PolarHBondContact O-N 3.15Å; G265-R479 PolarHBondContact O-NH2 2.83Å |
| 266 | K | 98.5 | Very high | 98.7 | Very high | 53 Ų | 53 | 29.7 Ų | 29.7 | 23% | 0.23 | 15% | 0.146 | C | C | . | . | trans | -67.2 | 149.3 | 175.9 | -59.1 | 169.7 | -178.4 | 140.8 | 0 | 110.1 | I234 A261 D264 V268 | I234-K266 HydrophobicContact CG2-CD 3.57Å; A261-K266 HydrophobicContact CB-CB 4.35Å; A261-K266 HydrophobicContact CB-CD 3.8Å; A261-K266 WeakPolarHBondContact O-CB 3.39Å; A261-K266 WeakPolarHBondContact O-CG 3.27Å; A261-K266 PolarHBondContact O-N 3.07Å; D264-K266 HydrophobicContact CB-CD 4.41Å; D264-K266 HydrophobicContact CB-CG 4.26Å; D264-K266 IonicContact OD2-NZ 2.84Å; D264-K266 PolarHBondContact OD2-NZ 3.34Å; K266-V268 VanDerWaalsContact C-N 3.31Å; K266-V268 PolarHBondContact O-N 3.37Å; K266-V268 VanDerWaalsContact O-N 3.11Å | ||
| 267 | V | 98.7 | Very high | 98.7 | Very high | 6 Ų | 6 | 24.6 Ų | 24.6 | 4% | 0.036 | 12% | 0.124 | C | C | . | . | trans | -89.9 | 72.8 | -177.1 | -176.9 | 0 | 0 | 0 | 0 | 108.5 | P243 L244 Y269 I472 R475 I476 | P243-V267 HydrophobicContact CB-CG1 3.63Å; L244-V267 PolarHBondContact N-O 2.96Å; V267-Y269 HydrophobicContact CG1-CE2 4.26Å; V267-I472 HydrophobicContact CG1-CG2 4.27Å; V267-R475 VanDerWaalsContact CG1-NH2 3.33Å; V267-R475 HydrophobicContact CG2-CG 4.24Å; V267-I476 HydrophobicContact CG1-CD1 4.13Å; V267-I476 HydrophobicContact CG1-CG1 4.31Å; V267-I476 HydrophobicContact CG2-CG1 4.29Å | ||
| 268 | V | 98.9 | Very high | 98.7 | Very high | 2 Ų | 2 | 23.5 Ų | 23.5 | 1% | 0.012 | 12% | 0.119 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.6 | 142.5 | -179.9 | 64.4 | 0 | 0 | 0 | 0 | 111.6 | I234 L244 I246 I258 A261 R262 K266 | I234-V268 HydrophobicContact CD1-CG1 4.45Å; I234-V268 HydrophobicContact CD1-CG2 4.02Å; I234-V268 HydrophobicContact CG1-CB 4.36Å; I234-V268 HydrophobicContact CG1-CG2 3.87Å; L244-V268 HydrophobicContact CB-CG2 4.35Å; L244-V268 HydrophobicContact CD2-CG2 4.44Å; L244-V268 HydrophobicContact CG-CG2 4.48Å; L244-V268 CarbonylContact O-C 3.59Å; L244-V268 VanDerWaalsContact O-CA 3.25Å; L244-V268 WeakPolarHBondContact O-CA 3.34Å; I246-V268 HydrophobicContact CG1-CG2 3.99Å; I258-V268 HydrophobicContact CG2-CG1 4.32Å; I258-V268 HydrophobicContact CG2-CG2 4.44Å; A261-V268 HydrophobicContact CB-CG1 3.88Å; R262-V268 HydrophobicContact CG-CG1 3.64Å; R262-V268 PolarHBondContact NH1-O 2.85Å; K266-V268 VanDerWaalsContact C-N 3.31Å; K266-V268 PolarHBondContact O-N 3.37Å; K266-V268 VanDerWaalsContact O-N 3.11Å |
| 269 | Y | 98.9 | Very high | 98.7 | Very high | 4 Ų | 4 | 24.2 Ų | 24.2 | 2% | 0.016 | 12% | 0.123 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.2 | 146.6 | 175.7 | -58.9 | -88.3 | 0 | 0 | 0 | 108.9 | I188 L244 Y245 I246 V267 T321 I385 Y471 I472 R475 | I188-Y269 HydrophobicContact CD1-CD2 4Å; I188-Y269 HydrophobicContact CD1-CE2 4.36Å; L244-Y269 PolarHBondContact O-N 2.89Å; Y245-Y269 WeakPolarHBondContact CA-O 3.23Å; Y245-Y269 HydrophobicContact CD2-CG 4.46Å; I246-Y269 PolarHBondContact N-O 2.76Å; V267-Y269 HydrophobicContact CG1-CE2 4.26Å; Y269-T321 HydrophobicContact CD1-CG2 4.02Å; Y269-I385 HydrophobicContact CD1-CD1 3.57Å; Y269-I385 HydrophobicContact CD1-CG1 4.12Å; Y269-I385 HydrophobicContact CE1-CD1 4.04Å; Y269-I385 HydrophobicContact CE1-CG1 4.11Å; Y269-I385 HydrophobicContact CG-CD1 3.99Å; Y269-Y471 AromaticContact CE1-CE1 3.75Å; Y269-Y471 HydrophobicContact CE1-CE1 3.75Å; Y269-I472 HydrophobicContact CE2-CG1 4.08Å; Y269-R475 PolarHBondContact OH-NH2 3.07Å |
| 270 | G | 98.9 | Very high | 98.7 | Very high | 0 Ų | 0 | 25.5 Ų | 25.5 | 0% | 0 | 13% | 0.13 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.9 | 134.5 | 178.7 | 0 | 0 | 0 | 0 | 0 | 111 | T321 | G270-T321 PolarHBondContact N-OG1 3.23Å; G270-T321 PolarHBondContact O-N 2.88Å; G270-T321 PolarHBondContact O-OG1 3.1Å |
| 271 | E | 98.8 | Very high | 98.7 | Very high | 0 Ų | 0 | 23 Ų | 23 | 0% | 0 | 12% | 0.116 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.1 | 94.3 | 179.8 | 177.1 | -162 | 80.6 | 0 | 0 | 110.1 | T66 H67 Y245 I246 V247 H248 V249 | T66-E271 WeakPolarHBondContact CB-OE2 3.48Å; T66-E271 PolarHBondContact OG1-OE2 2.86Å; H67-E271 IonicContact CE1-OE1 2.69Å; H67-E271 IonicContact CG-OE1 2.93Å; H67-E271 IonicContact ND1-OE1 3.79Å; H67-E271 PolarHBondContact ND1-OE1 3.39Å; Y245-E271 HydrophobicContact CE1-CB 3.52Å; Y245-E271 HydrophobicContact CE1-CG 4.13Å; Y245-E271 VanDerWaalsContact CE1-OE2 3.28Å; Y245-E271 WeakPolarHBondContact CE1-OE2 3.43Å; Y245-E271 WeakPolarHBondContact OH-CB 3.3Å; Y245-E271 VanDerWaalsContact OH-CD 3.31Å; Y245-E271 WeakPolarHBondContact OH-CG 3.32Å; Y245-E271 PolarHBondContact OH-OE2 2.81Å; I246-E271 PolarHBondContact O-N 3.19Å; V247-E271 WeakPolarHBondContact CB-OE1 3.22Å; H248-E271 CarbonylContact C-O 3.52Å; H248-E271 VanDerWaalsContact CA-O 3.23Å; H248-E271 WeakPolarHBondContact CA-O 3.4Å; H248-E271 PolarHBondContact N-O 2.95Å; H248-E271 PolarHBondContact N-OE1 2.96Å; H248-E271 VanDerWaalsContact N-OE1 3.11Å; V249-E271 PolarHBondContact N-O 3.39Å |
| 272 | P | 98.9 | Very high | 98.7 | Very high | 0 Ų | 0 | 25.8 Ų | 25.8 | 0% | 0 | 13% | 0.133 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -64.3 | 159.9 | 158.5 | 30.3 | -36.8 | 0 | 0 | 0 | 110.1 | L277 L315 L320 T322 T323 G324 | P272-L277 HydrophobicContact CB-CD1 4.09Å; P272-L277 HydrophobicContact CB-CD2 3.94Å; P272-L277 HydrophobicContact CB-CG 3.95Å; P272-L277 HydrophobicContact CG-CD1 4.13Å; P272-L277 HydrophobicContact CG-CD2 4.23Å; P272-L277 HydrophobicContact CG-CG 4.43Å; P272-L315 HydrophobicContact CG-CD1 4.04Å; P272-L315 HydrophobicContact CG-CD2 4.46Å; P272-L320 HydrophobicContact CB-CD1 4.18Å; P272-L320 HydrophobicContact CG-CB 4.14Å; P272-L320 HydrophobicContact CG-CD1 3.82Å; P272-T322 VanDerWaalsContact CD-O 3.27Å; P272-T322 WeakPolarHBondContact CD-O 3.33Å; P272-T323 HydrophobicContact CG-CG2 4.48Å; P272-T323 WeakPolarHBondContact O-CA 3.27Å; P272-G324 PolarHBondContact O-N 2.96Å |
| 273 | I | 98.9 | Very high | 98.7 | Very high | 0 Ų | 0 | 25.6 Ų | 25.6 | 0% | 0 | 13% | 0.134 | C | C | . | . | B | Isolated β-bridge | trans | -117.5 | 163.2 | 178.9 | 56.9 | 167.5 | 0 | 0 | 0 | 111 | H248 M250 A275 S276 L277 M297 G324 D326 | H248-I273 HydrophobicContact CB-CD1 4.22Å; H248-I273 HydrophobicContact CB-CG1 4.48Å; H248-I273 HydrophobicContact CB-CG2 3.91Å; M250-I273 HydrophobicContact CE-CD1 3.94Å; M250-I273 HydrophobicContact CE-CG1 4.31Å; M250-I273 HydrophobicContact SD-CD1 3.67Å; M250-I273 HydrophobicContact SD-CG1 3.69Å; I273-A275 HydrophobicContact CD1-CB 3.91Å; I273-A275 HydrophobicContact CG1-CB 4.19Å; I273-A275 PolarHBondContact O-N 2.72Å; I273-A275 VanDerWaalsContact O-N 3.08Å; I273-S276 PolarHBondContact N-OG 2.93Å; I273-S276 PolarHBondContact O-N 2.95Å; I273-S276 VanDerWaalsContact O-N 3.08Å; I273-S276 PolarHBondContact O-OG 3.16Å; I273-L277 WeakPolarHBondContact O-CG 3.49Å; I273-L277 PolarHBondContact O-N 2.9Å; I273-M297 HydrophobicContact CD1-CE 3.41Å; I273-M297 VanDerWaalsContact CD1-CE 3.41Å; I273-M297 HydrophobicContact CD1-SD 3.94Å; I273-G324 VanDerWaalsContact CA-O 3.22Å; I273-G324 WeakPolarHBondContact CA-O 3.43Å; I273-G324 WeakPolarHBondContact CB-O 3.4Å; I273-D326 HydrophobicContact CD1-CB 3.95Å; I273-D326 HydrophobicContact CG2-CB 4.3Å |
| 274 | A | 98.9 | Very high | 98.7 | Very high | 0 Ų | 0 | 18.1 Ų | 18.1 | 0% | 0 | 11% | 0.106 | C | C | . | . | H | α-helix | trans | -47.9 | -40.7 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | L277 G278 G324 T325 R355 F428 | A274-L277 PolarHBondContact O-N 3.48Å; A274-G278 PolarHBondContact O-N 2.7Å; A274-G324 PolarHBondContact N-O 2.97Å; A274-T325 HydrophobicContact CB-CG2 4.02Å; A274-R355 HydrophobicContact CB-CB 4.12Å; A274-R355 HydrophobicContact CB-CG 4.19Å; A274-F428 HydrophobicContact CB-CE2 4.43Å; A274-F428 HydrophobicContact CB-CZ 4.01Å; A274-F428 WeakPolarHBondContact O-CZ 3.3Å |
| 275 | A | 98.9 | Very high | 98.8 | Very high | 1 Ų | 1 | 18.5 Ų | 18.5 | 1% | 0.008 | 10% | 0.099 | C | C | . | . | H | α-helix | trans | -62.2 | -51.8 | 179 | 0 | 0 | 0 | 0 | 0 | 112.2 | I273 L277 G278 T279 M297 L301 V349 I427 | I273-A275 HydrophobicContact CD1-CB 3.91Å; I273-A275 HydrophobicContact CG1-CB 4.19Å; I273-A275 PolarHBondContact O-N 2.72Å; I273-A275 VanDerWaalsContact O-N 3.08Å; A275-L277 PolarHBondContact O-N 2.6Å; A275-G278 PolarHBondContact O-N 3.13Å; A275-T279 WeakPolarHBondContact O-CG2 3.39Å; A275-T279 PolarHBondContact O-N 2.83Å; A275-M297 HydrophobicContact CB-SD 4.06Å; A275-L301 HydrophobicContact CB-CD2 3.99Å; A275-L301 WeakPolarHBondContact O-CD2 3.09Å; A275-V349 HydrophobicContact CB-CG2 3.96Å; A275-I427 HydrophobicContact CB-CD1 3.54Å |
| 276 | S | 98.9 | Very high | 98.8 | Very high | 2 Ų | 2 | 19.6 Ų | 19.6 | 1% | 0.014 | 10% | 0.097 | C | C | . | . | H | α-helix | trans | -71.1 | -16.5 | -179.3 | 64.5 | 0 | 0 | 0 | 0 | 113.9 | V249 I273 P308 | V249-S276 PolarHBondContact O-OG 3.32Å; I273-S276 PolarHBondContact N-OG 2.93Å; I273-S276 PolarHBondContact O-N 2.95Å; I273-S276 VanDerWaalsContact O-N 3.08Å; I273-S276 PolarHBondContact O-OG 3.16Å; S276-P308 WeakPolarHBondContact O-CA 3.41Å; S276-P308 WeakPolarHBondContact O-CB 3.42Å |
| 277 | L | 98.9 | Very high | 98.8 | Very high | 2 Ų | 2 | 27.1 Ų | 27.1 | 1% | 0.01 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -94.5 | -21.9 | 175.6 | -65.4 | 171.2 | 0 | 0 | 0 | 113.6 | P272 I273 A274 A275 P308 L311 M312 L315 T323 I359 | P272-L277 HydrophobicContact CB-CD1 4.09Å; P272-L277 HydrophobicContact CB-CD2 3.94Å; P272-L277 HydrophobicContact CB-CG 3.95Å; P272-L277 HydrophobicContact CG-CD1 4.13Å; P272-L277 HydrophobicContact CG-CD2 4.23Å; P272-L277 HydrophobicContact CG-CG 4.43Å; I273-L277 WeakPolarHBondContact O-CG 3.49Å; I273-L277 PolarHBondContact O-N 2.9Å; A274-L277 PolarHBondContact O-N 3.48Å; A275-L277 PolarHBondContact O-N 2.6Å; L277-P308 WeakPolarHBondContact O-CB 3.35Å; L277-L311 HydrophobicContact CD2-CB 3.78Å; L277-M312 HydrophobicContact CB-CE 3.93Å; L277-M312 HydrophobicContact CD1-CE 4.26Å; L277-M312 HydrophobicContact CD2-CB 4.32Å; L277-M312 HydrophobicContact CD2-CE 4Å; L277-M312 HydrophobicContact CD2-SD 4.36Å; L277-M312 HydrophobicContact CG-CE 4.29Å; L277-L315 HydrophobicContact CD1-CD2 3.86Å; L277-L315 HydrophobicContact CD2-CD2 4.47Å; L277-T323 HydrophobicContact CD1-CG2 3.8Å; L277-I359 HydrophobicContact CD1-CG1 4.1Å |
| 278 | G | 98.7 | Very high | 98.8 | Very high | 8 Ų | 8 | 32.1 Ų | 32.1 | 8% | 0.082 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -106.7 | -29.5 | -172.4 | 0 | 0 | 0 | 0 | 0 | 114.9 | A274 A275 M431 | A274-G278 PolarHBondContact O-N 2.7Å; A275-G278 PolarHBondContact O-N 3.13Å; G278-M431 WeakPolarHBondContact O-CE 3.22Å |
| 279 | T | 98.8 | Very high | 98.8 | Very high | 15 Ų | 15 | 35.2 Ų | 35.2 | 9% | 0.092 | 16% | 0.164 | C | C | . | . | trans | -146.3 | 177.2 | -174.4 | -168.6 | 0 | 0 | 0 | 0 | 111.7 | A275 H283 L301 P308 I427 F428 | A275-T279 WeakPolarHBondContact O-CG2 3.39Å; A275-T279 PolarHBondContact O-N 2.83Å; T279-H283 PolarHBondContact OG1-CD2 2.93Å; T279-H283 PolarHBondContact OG1-NE2 2.94Å; T279-L301 HydrophobicContact CG2-CD1 3.78Å; T279-L301 HydrophobicContact CG2-CD2 4.19Å; T279-P308 WeakPolarHBondContact O-CG 3.45Å; T279-I427 HydrophobicContact CG2-CD1 4.05Å; T279-F428 HydrophobicContact CG2-CD1 4.49Å; T279-F428 HydrophobicContact CG2-CE1 4.14Å | ||
| 280 | D | 98.8 | Very high | 98.8 | Very high | 29 Ų | 29 | 38.8 Ų | 38.8 | 16% | 0.155 | 18% | 0.18 | C | C | . | . | trans | -135.8 | 173.8 | -174.2 | 68.2 | 62 | 0 | 0 | 0 | 113.1 | T282 H283 P308 | D280-T282 VanDerWaalsContact C-N 3.3Å; D280-T282 PolarHBondContact O-N 2.94Å; D280-T282 WeakPolarHBondContact OD1-CB 3.31Å; D280-T282 WeakPolarHBondContact OD1-CG2 3.24Å; D280-T282 PolarHBondContact OD1-N 3.32Å; D280-T282 PolarHBondContact OD1-OG1 3.37Å; D280-H283 PolarHBondContact O-CD2 2.74Å; D280-H283 VanDerWaalsContact O-CD2 3.26Å; D280-P308 HydrophobicContact CB-CG 4.29Å | ||
| 281 | G | 98.7 | Very high | 98.7 | Very high | 0 Ų | 0 | 41 Ų | 41 | 0% | 0 | 19% | 0.191 | C | C | . | . | G | 310 helix | trans | -78.5 | -4.8 | -174.1 | 0 | 0 | 0 | 0 | 0 | 114.6 | H283 Y284 W285 L301 R302 | G281-H283 PolarHBondContact O-N 2.98Å; G281-Y284 WeakPolarHBondContact O-CD2 3.21Å; G281-Y284 PolarHBondContact O-N 3.41Å; G281-W285 VanDerWaalsContact O-CZ3 3.23Å; G281-W285 WeakPolarHBondContact O-CZ3 3.49Å; G281-L301 WeakPolarHBondContact CA-O 3.47Å; G281-R302 PolarHBondContact N-O 3Å |
| 282 | T | 98.8 | Very high | 98.7 | Very high | 63 Ų | 63 | 41.1 Ų | 41.1 | 39% | 0.387 | 19% | 0.191 | S | C | . | . | G | 310 helix | trans | -58.3 | -24.8 | 178.3 | 61.4 | 0 | 0 | 0 | 0 | 112 | D280 Y284 W285 P303 P305 | D280-T282 VanDerWaalsContact C-N 3.3Å; D280-T282 PolarHBondContact O-N 2.94Å; D280-T282 WeakPolarHBondContact OD1-CB 3.31Å; D280-T282 WeakPolarHBondContact OD1-CG2 3.24Å; D280-T282 PolarHBondContact OD1-N 3.32Å; D280-T282 PolarHBondContact OD1-OG1 3.37Å; T282-Y284 PolarHBondContact O-N 2.76Å; T282-W285 PolarHBondContact O-N 3.2Å; T282-W285 VanDerWaalsContact O-N 3.13Å; T282-P303 WeakPolarHBondContact CG2-O 3.37Å; T282-P305 HydrophobicContact CG2-CG 3.96Å |
| 283 | H | 98.7 | Very high | 98.7 | Very high | 48 Ų | 48 | 41.1 Ų | 41.1 | 22% | 0.222 | 19% | 0.191 | C | C | . | . | G | 310 helix | trans | -59.2 | -24.7 | 174.1 | -65.9 | -53.1 | 0 | 0 | 0 | 114.8 | T279 D280 G281 W285 N286 H291 A292 H295 | T279-H283 PolarHBondContact OG1-CD2 2.93Å; T279-H283 PolarHBondContact OG1-NE2 2.94Å; D280-H283 PolarHBondContact O-CD2 2.74Å; D280-H283 VanDerWaalsContact O-CD2 3.26Å; G281-H283 PolarHBondContact O-N 2.98Å; H283-W285 PolarHBondContact O-N 3.43Å; H283-N286 VanDerWaalsContact O-CB 3.32Å; H283-N286 WeakPolarHBondContact O-CB 3.19Å; H283-N286 PolarHBondContact O-N 3.44Å; H283-N286 VanDerWaalsContact O-N 3.12Å; H283-H291 AromaticContact CE1-NE2 3.85Å; H283-H291 AromaticContact CG-NE2 3.49Å; H283-H291 AromaticContact ND1-CE1 3.78Å; H283-H291 AromaticContact ND1-NE2 2.99Å; H283-H291 PolarHBondContact ND1-NE2 2.83Å; H283-A292 VanDerWaalsContact O-CA 3.32Å; H283-A292 WeakPolarHBondContact O-CA 3.32Å; H283-A292 WeakPolarHBondContact O-CB 3.29Å; H283-H295 HydrophobicContact CB-CB 4.24Å; H283-H295 AromaticContact CD2-CD2 3.49Å; H283-H295 PolarHBondContact CD2-CD2 3.16Å; H283-H295 VanDerWaalsContact CD2-CD2 3.49Å; H283-H295 AromaticContact CD2-NE2 3.3Å; H283-H295 PolarHBondContact CD2-NE2 3.4Å; H283-H295 VanDerWaalsContact CD2-NE2 3.3Å; H283-H295 AromaticContact CG-CD2 3.77Å; H283-H295 AromaticContact CG-CE1 3.78Å; H283-H295 AromaticContact CG-NE2 3.53Å; H283-H295 AromaticContact NE2-NE2 3.89Å |
| 284 | Y | 98.8 | Very high | 98.7 | Very high | 0 Ų | 0 | 42 Ų | 42 | 0% | 0 | 20% | 0.196 | C | C | . | . | G | 310 helix | trans | -65.4 | -22 | 176.1 | -60.9 | -52.1 | 0 | 0 | 0 | 113.5 | P214 E218 G281 T282 H295 V296 P300 L301 | P214-Y284 HydrophobicContact CB-CD1 4.42Å; E218-Y284 HydrophobicContact CB-CD2 3.8Å; E218-Y284 HydrophobicContact CB-CE2 4.15Å; E218-Y284 HydrophobicContact CG-CD2 4.13Å; E218-Y284 HydrophobicContact CG-CE2 4.31Å; G281-Y284 WeakPolarHBondContact O-CD2 3.21Å; G281-Y284 PolarHBondContact O-N 3.41Å; T282-Y284 PolarHBondContact O-N 2.76Å; Y284-H295 HydrophobicContact CD1-CB 4.2Å; Y284-H295 VanDerWaalsContact CE1-C 3.42Å; Y284-H295 HydrophobicContact CE1-CB 3.71Å; Y284-H295 WeakPolarHBondContact CE1-O 3.3Å; Y284-H295 PolarHBondContact OH-O 3.29Å; Y284-V296 HydrophobicContact CD1-CG2 4.27Å; Y284-V296 HydrophobicContact CE1-CG2 4Å; Y284-P300 HydrophobicContact CE2-CB 3.9Å; Y284-L301 HydrophobicContact CE2-CB 4.06Å; Y284-L301 VanDerWaalsContact CE2-O 3.3Å; Y284-L301 WeakPolarHBondContact CE2-O 3.45Å; Y284-L301 PolarHBondContact OH-N 3.25Å |
| 285 | W | 98.8 | Very high | 98.7 | Very high | 121 Ų | 121 | 42.2 Ų | 42.2 | 46% | 0.458 | 20% | 0.197 | S | C | . | . | G | 310 helix | trans | -95.8 | 12.8 | 176.8 | -70.3 | -95 | 0 | 0 | 0 | 112.9 | E215 E218 L219 G281 T282 H283 K287 P303 | E215-W285 HydrophobicContact CB-CD2 4.25Å; E215-W285 HydrophobicContact CB-CG 4.43Å; E215-W285 HydrophobicContact CB-CZ2 4.28Å; E218-W285 HydrophobicContact CB-CH2 4.04Å; E218-W285 HydrophobicContact CG-CH2 3.97Å; E218-W285 HydrophobicContact CG-CZ3 4.4Å; E218-W285 WeakPolarHBondContact OE2-CH2 3.46Å; L219-W285 HydrophobicContact CD2-CZ2 4.23Å; L219-W285 HydrophobicContact CG-CZ2 4.31Å; G281-W285 VanDerWaalsContact O-CZ3 3.23Å; G281-W285 WeakPolarHBondContact O-CZ3 3.49Å; T282-W285 PolarHBondContact O-N 3.2Å; T282-W285 VanDerWaalsContact O-N 3.13Å; H283-W285 PolarHBondContact O-N 3.43Å; W285-K287 PolarHBondContact O-N 3.04Å; W285-P303 HydrophobicContact CH2-CB 3.96Å; W285-P303 HydrophobicContact CH2-CG 4.19Å; W285-P303 HydrophobicContact CZ3-CB 3.69Å; W285-P303 HydrophobicContact CZ3-CG 4.36Å |
| 286 | N | 98.7 | Very high | 98.7 | Very high | 57 Ų | 57 | 42.2 Ų | 42.2 | 31% | 0.305 | 20% | 0.196 | S | C | . | . | trans | -63.3 | 136.8 | 173.5 | -167 | -40.1 | 0 | 0 | 0 | 110 | H283 E288 H291 A292 | H283-N286 VanDerWaalsContact O-CB 3.32Å; H283-N286 WeakPolarHBondContact O-CB 3.19Å; H283-N286 PolarHBondContact O-N 3.44Å; H283-N286 VanDerWaalsContact O-N 3.12Å; N286-E288 PolarHBondContact O-N 2.86Å; N286-E288 PolarHBondContact OD1-N 3.32Å; N286-H291 HydrophobicContact CB-CB 4.27Å; N286-H291 VanDerWaalsContact CB-CD2 3.46Å; N286-H291 WeakPolarHBondContact CB-CD2 3.45Å; N286-H291 PolarHBondContact ND2-CD2 3.01Å; N286-A292 HydrophobicContact CB-CB 4.36Å | ||
| 287 | K | 98.4 | Very high | 98.7 | Very high | 212 Ų | 212 | 42.1 Ų | 42.1 | 92% | 0.922 | 20% | 0.196 | S | C | * | . | S | Bend | trans | -63.1 | -28.3 | 177.1 | -64.7 | -176 | 178.9 | 179.3 | 0 | 112.5 | W285 W289 | W285-K287 PolarHBondContact O-N 3.04Å; K287-W289 PolarHBondContact O-N 3.49Å |
| 288 | E | 98.4 | Very high | 98.6 | Very high | 110 Ų | 110 | 42.1 Ų | 42.1 | 51% | 0.514 | 20% | 0.196 | S | C | . | . | S | Bend | trans | -81.4 | 106.8 | 173.1 | -65.2 | -166.3 | 109.9 | 0 | 0 | 109.8 | N286 H290 H291 A292 | N286-E288 PolarHBondContact O-N 2.86Å; N286-E288 PolarHBondContact OD1-N 3.32Å; E288-H290 PolarHBondContact O-N 2.79Å; E288-H290 VanDerWaalsContact O-N 3.16Å; E288-H290 IonicContact OE1-CE1 2.67Å; E288-H291 HydrophobicContact CB-CB 4.13Å; E288-H291 WeakPolarHBondContact O-CB 3.47Å; E288-H291 PolarHBondContact O-N 3.11Å; E288-H291 VanDerWaalsContact O-N 3.11Å; E288-A292 PolarHBondContact O-N 3.4Å; E288-A292 VanDerWaalsContact O-N 3.15Å |
| 289 | W | 98.7 | Very high | 98.6 | Very high | 68 Ų | 68 | 41.8 Ų | 41.8 | 26% | 0.258 | 19% | 0.193 | S | C | . | . | H | α-helix | trans | -52.7 | -41.4 | -176.4 | 179.5 | 92.7 | 0 | 0 | 0 | 113.1 | K287 A292 A293 K335 A336 K339 I345 | K287-W289 PolarHBondContact O-N 3.49Å; W289-A292 PolarHBondContact O-N 3.16Å; W289-A293 HydrophobicContact CD2-CB 4.31Å; W289-A293 HydrophobicContact CE3-CB 4.16Å; W289-A293 HydrophobicContact CH2-CB 3.44Å; W289-A293 VanDerWaalsContact CH2-CB 3.44Å; W289-A293 HydrophobicContact CZ2-CB 3.67Å; W289-A293 HydrophobicContact CZ3-CB 3.74Å; W289-A293 WeakPolarHBondContact O-CB 3.07Å; W289-A293 PolarHBondContact O-N 3.07Å; W289-K335 HydrophobicContact CH2-CB 4.48Å; W289-K335 WeakPolarHBondContact CH2-O 3.43Å; W289-A336 VanDerWaalsContact CH2-CA 3.49Å; W289-A336 HydrophobicContact CH2-CB 4.33Å; W289-A336 HydrophobicContact CZ3-CB 4.17Å; W289-K339 HydrophobicContact CH2-CB 4.27Å; W289-K339 HydrophobicContact CZ2-CB 4Å; W289-K339 PolarHBondContact NE1-O 2.96Å; W289-I345 HydrophobicContact CZ2-CD1 3.9Å; W289-I345 HydrophobicContact CZ2-CG1 4.23Å |
| 290 | H | 98.3 | Very high | 98.6 | Very high | 78 Ų | 78 | 41.1 Ų | 41.1 | 36% | 0.361 | 19% | 0.188 | S | C | . | . | H | α-helix | trans | -65.7 | -42.2 | -178.1 | 59.4 | -88.5 | 0 | 0 | 0 | 111.6 | E288 A292 A293 H294 T332 | E288-H290 PolarHBondContact O-N 2.79Å; E288-H290 VanDerWaalsContact O-N 3.16Å; E288-H290 IonicContact OE1-CE1 2.67Å; H290-A292 VanDerWaalsContact C-N 3.34Å; H290-A292 PolarHBondContact O-N 3.05Å; H290-A293 PolarHBondContact O-N 3.49Å; H290-H294 PolarHBondContact O-CD2 2.91Å; H290-H294 PolarHBondContact O-N 3.39Å; H290-H294 PolarHBondContact O-ND1 3.4Å; H290-H294 PolarHBondContact O-NE2 3.24Å; H290-T332 HydrophobicContact CB-CG2 3.9Å |
| 291 | H | 98.7 | Very high | 98.6 | Very high | 48 Ų | 48 | 39.8 Ų | 39.8 | 22% | 0.222 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -57.3 | -48.1 | 173.2 | 179.2 | 101.2 | 0 | 0 | 0 | 111.1 | H283 N286 E288 A293 H294 H295 | H283-H291 AromaticContact CE1-NE2 3.85Å; H283-H291 AromaticContact CG-NE2 3.49Å; H283-H291 AromaticContact ND1-CE1 3.78Å; H283-H291 AromaticContact ND1-NE2 2.99Å; H283-H291 PolarHBondContact ND1-NE2 2.83Å; N286-H291 HydrophobicContact CB-CB 4.27Å; N286-H291 VanDerWaalsContact CB-CD2 3.46Å; N286-H291 WeakPolarHBondContact CB-CD2 3.45Å; N286-H291 PolarHBondContact ND2-CD2 3.01Å; E288-H291 HydrophobicContact CB-CB 4.13Å; E288-H291 WeakPolarHBondContact O-CB 3.47Å; E288-H291 PolarHBondContact O-N 3.11Å; E288-H291 VanDerWaalsContact O-N 3.11Å; H291-A293 VanDerWaalsContact C-N 3.35Å; H291-A293 PolarHBondContact O-N 3.01Å; H291-H294 WeakPolarHBondContact O-CB 3.28Å; H291-H294 PolarHBondContact O-N 3.5Å; H291-H295 AromaticContact CD2-CE1 3.93Å; H291-H295 AromaticContact CD2-ND1 4Å; H291-H295 AromaticContact CE1-CE1 3.75Å; H291-H295 AromaticContact NE2-CE1 3.39Å; H291-H295 PolarHBondContact NE2-CE1 3.3Å; H291-H295 AromaticContact NE2-ND1 3.87Å; H291-H295 PolarHBondContact O-ND1 2.73Å |
| 292 | A | 98.8 | Very high | 98.6 | Very high | 1 Ų | 1 | 40 Ų | 40 | 1% | 0.008 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -62.9 | -41.9 | 179.1 | 0 | 0 | 0 | 0 | 0 | 111.8 | P214 H283 N286 E288 W289 H290 H294 H295 | P214-A292 HydrophobicContact CB-CB 3.86Å; P214-A292 HydrophobicContact CG-CB 3.75Å; H283-A292 VanDerWaalsContact O-CA 3.32Å; H283-A292 WeakPolarHBondContact O-CA 3.32Å; H283-A292 WeakPolarHBondContact O-CB 3.29Å; N286-A292 HydrophobicContact CB-CB 4.36Å; E288-A292 PolarHBondContact O-N 3.4Å; E288-A292 VanDerWaalsContact O-N 3.15Å; W289-A292 PolarHBondContact O-N 3.16Å; H290-A292 VanDerWaalsContact C-N 3.34Å; H290-A292 PolarHBondContact O-N 3.05Å; A292-H294 VanDerWaalsContact C-N 3.34Å; A292-H294 PolarHBondContact O-N 2.85Å; A292-H295 PolarHBondContact O-N 2.78Å |
| 293 | A | 98.8 | Very high | 98.6 | Very high | 0 Ų | 0 | 39 Ų | 39 | 0% | 0 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -68 | -29.4 | 178.4 | 0 | 0 | 0 | 0 | 0 | 113.6 | P214 W289 H290 H291 H295 V296 K335 I345 | P214-A293 HydrophobicContact CG-CB 4.08Å; W289-A293 HydrophobicContact CD2-CB 4.31Å; W289-A293 HydrophobicContact CE3-CB 4.16Å; W289-A293 HydrophobicContact CH2-CB 3.44Å; W289-A293 VanDerWaalsContact CH2-CB 3.44Å; W289-A293 HydrophobicContact CZ2-CB 3.67Å; W289-A293 HydrophobicContact CZ3-CB 3.74Å; W289-A293 WeakPolarHBondContact O-CB 3.07Å; W289-A293 PolarHBondContact O-N 3.07Å; H290-A293 PolarHBondContact O-N 3.49Å; H291-A293 VanDerWaalsContact C-N 3.35Å; H291-A293 PolarHBondContact O-N 3.01Å; A293-H295 PolarHBondContact O-N 3.39Å; A293-V296 WeakPolarHBondContact O-CB 3.34Å; A293-V296 PolarHBondContact O-N 3.01Å; A293-K335 HydrophobicContact CB-CB 4.3Å; A293-K335 WeakPolarHBondContact O-CD 3.34Å; A293-K335 WeakPolarHBondContact O-CE 3.33Å; A293-I345 HydrophobicContact CB-CD1 4.24Å |
| 294 | H | 98.8 | Very high | 98.6 | Very high | 20 Ų | 20 | 39.8 Ų | 39.8 | 9% | 0.093 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -58.9 | -28.1 | 175.4 | -67.3 | 166.6 | 0 | 0 | 0 | 113 | H290 H291 A292 T332 F425 | H290-H294 PolarHBondContact O-CD2 2.91Å; H290-H294 PolarHBondContact O-N 3.39Å; H290-H294 PolarHBondContact O-ND1 3.4Å; H290-H294 PolarHBondContact O-NE2 3.24Å; H291-H294 WeakPolarHBondContact O-CB 3.28Å; H291-H294 PolarHBondContact O-N 3.5Å; A292-H294 VanDerWaalsContact C-N 3.34Å; A292-H294 PolarHBondContact O-N 2.85Å; H294-T332 PolarHBondContact NE2-OG1 2.94Å; H294-F425 HydrophobicContact CB-CD1 4.35Å; H294-F425 HydrophobicContact CB-CD2 3.64Å; H294-F425 HydrophobicContact CB-CE1 4.24Å; H294-F425 HydrophobicContact CB-CE2 3.56Å; H294-F425 HydrophobicContact CB-CG 4.06Å; H294-F425 HydrophobicContact CB-CZ 3.88Å; H294-F425 AromaticContact CD2-CD1 3.28Å; H294-F425 WeakPolarHBondContact CD2-CD1 3.17Å; H294-F425 AromaticContact CD2-CE1 3.34Å; H294-F425 WeakPolarHBondContact CD2-CE1 3.13Å; H294-F425 AromaticContact CD2-CG 3.7Å; H294-F425 AromaticContact CD2-CZ 3.87Å; H294-F425 AromaticContact CE1-CD1 3.76Å; H294-F425 AromaticContact CE1-CG 3.72Å; H294-F425 AromaticContact CG-CD1 3.64Å; H294-F425 AromaticContact CG-CD2 3.67Å; H294-F425 AromaticContact CG-CE1 3.84Å; H294-F425 AromaticContact CG-CE2 3.92Å; H294-F425 AromaticContact CG-CG 3.53Å; H294-F425 AromaticContact ND1-CD1 3.94Å; H294-F425 AromaticContact ND1-CD2 3.95Å; H294-F425 AromaticContact ND1-CG 3.57Å; H294-F425 AromaticContact NE2-CD1 3.37Å; H294-F425 WeakPolarHBondContact NE2-CD1 3.11Å; H294-F425 AromaticContact NE2-CE1 3.88Å; H294-F425 AromaticContact NE2-CG 3.81Å; H294-F425 WeakPolarHBondContact O-CE2 3.26Å |
| 295 | H | 98.8 | Very high | 98.6 | Very high | 4 Ų | 4 | 43.8 Ų | 43.8 | 2% | 0.019 | 21% | 0.208 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -90.8 | -3.7 | -177.6 | -66.2 | 78.2 | 0 | 0 | 0 | 113.3 | H283 Y284 H291 A292 A293 M297 L301 | H283-H295 HydrophobicContact CB-CB 4.24Å; H283-H295 AromaticContact CD2-CD2 3.49Å; H283-H295 PolarHBondContact CD2-CD2 3.16Å; H283-H295 VanDerWaalsContact CD2-CD2 3.49Å; H283-H295 AromaticContact CD2-NE2 3.3Å; H283-H295 PolarHBondContact CD2-NE2 3.4Å; H283-H295 VanDerWaalsContact CD2-NE2 3.3Å; H283-H295 AromaticContact CG-CD2 3.77Å; H283-H295 AromaticContact CG-CE1 3.78Å; H283-H295 AromaticContact CG-NE2 3.53Å; H283-H295 AromaticContact NE2-NE2 3.89Å; Y284-H295 HydrophobicContact CD1-CB 4.2Å; Y284-H295 VanDerWaalsContact CE1-C 3.42Å; Y284-H295 HydrophobicContact CE1-CB 3.71Å; Y284-H295 WeakPolarHBondContact CE1-O 3.3Å; Y284-H295 PolarHBondContact OH-O 3.29Å; H291-H295 AromaticContact CD2-CE1 3.93Å; H291-H295 AromaticContact CD2-ND1 4Å; H291-H295 AromaticContact CE1-CE1 3.75Å; H291-H295 AromaticContact NE2-CE1 3.39Å; H291-H295 PolarHBondContact NE2-CE1 3.3Å; H291-H295 AromaticContact NE2-ND1 3.87Å; H291-H295 PolarHBondContact O-ND1 2.73Å; A292-H295 PolarHBondContact O-N 2.78Å; A293-H295 PolarHBondContact O-N 3.39Å; H295-M297 PolarHBondContact O-N 2.89Å; H295-L301 HydrophobicContact CB-CD1 4.19Å |
| 296 | V | 98.8 | Very high | 98.6 | Very high | 0 Ų | 0 | 40.7 Ų | 40.7 | 0% | 0 | 21% | 0.206 | C | C | . | . | trans | -71.8 | 115.8 | -174.6 | 172.3 | 0 | 0 | 0 | 0 | 111 | P214 H217 Y284 A293 K335 I345 N347 G348 | P214-V296 HydrophobicContact CB-CG2 3.82Å; H217-V296 HydrophobicContact CB-CG1 4.49Å; Y284-V296 HydrophobicContact CD1-CG2 4.27Å; Y284-V296 HydrophobicContact CE1-CG2 4Å; A293-V296 WeakPolarHBondContact O-CB 3.34Å; A293-V296 PolarHBondContact O-N 3.01Å; V296-K335 PolarHBondContact O-NZ 2.86Å; V296-I345 HydrophobicContact CB-CG2 3.88Å; V296-I345 HydrophobicContact CG1-CB 4.11Å; V296-I345 HydrophobicContact CG1-CG2 3.83Å; V296-I345 HydrophobicContact CG2-CD1 4.14Å; V296-I345 HydrophobicContact CG2-CG2 4.27Å; V296-N347 WeakPolarHBondContact CG1-OD1 3.28Å; V296-G348 PolarHBondContact O-N 2.95Å | ||
| 297 | M | 98.7 | Very high | 98.6 | Very high | 1 Ų | 1 | 38.1 Ų | 38.1 | 1% | 0.005 | 19% | 0.192 | C | C | . | . | trans | -150.5 | 167.6 | 172.4 | 69.5 | -176.5 | -45.6 | 0 | 0 | 111.5 | H217 M250 I273 A275 H295 P299 P300 D326 V349 | H217-M297 PolarHBondContact CD2-O 3.04Å; H217-M297 PolarHBondContact NE2-O 3.16Å; M250-M297 HydrophobicContact CE-CG 4.28Å; M250-M297 HydrophobicContact CE-SD 3.67Å; I273-M297 HydrophobicContact CD1-CE 3.41Å; I273-M297 VanDerWaalsContact CD1-CE 3.41Å; I273-M297 HydrophobicContact CD1-SD 3.94Å; A275-M297 HydrophobicContact CB-SD 4.06Å; H295-M297 PolarHBondContact O-N 2.89Å; M297-P299 CarbonylContact C-O 3.05Å; M297-P299 WeakPolarHBondContact CG-O 3.39Å; M297-P299 CarbonylContact O-C 3.41Å; M297-P300 VanDerWaalsContact O-CA 3.31Å; M297-P300 WeakPolarHBondContact O-CA 3.36Å; M297-D326 HydrophobicContact CE-CB 3.96Å; M297-D326 WeakPolarHBondContact CE-OD2 3.38Å; M297-V349 HydrophobicContact CB-CG1 4.19Å; M297-V349 HydrophobicContact CE-CG2 3.68Å; M297-V349 HydrophobicContact CG-CG1 4.33Å; M297-V349 HydrophobicContact SD-CB 4.38Å; M297-V349 HydrophobicContact SD-CG1 3.96Å; M297-V349 HydrophobicContact SD-CG2 3.51Å; M297-V349 VanDerWaalsContact SD-CG2 3.51Å | ||
| 298 | G | 97.1 | Very high | 98.6 | Very high | 2 Ų | 2 | 28.7 Ų | 28.7 | 2% | 0.021 | 15% | 0.152 | C | C | . | . | S | Bend | trans | -123.1 | 123.8 | -178.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | H192 | H192-G298 PolarHBondContact CE1-O 3.2Å; H192-G298 VanDerWaalsContact CE1-O 3.3Å |
| 299 | P | 98.5 | Very high | 98.6 | Very high | 1 Ų | 1 | 27.3 Ų | 27.3 | 1% | 0.006 | 15% | 0.149 | C | C | . | . | S | Bend | cis | -62.6 | 158.3 | -6.2 | -12 | 23.7 | 0 | 0 | 0 | 112 | E194 E226 H248 M250 M297 | E194-P299 VanDerWaalsContact CD-CB 3.49Å; E194-P299 HydrophobicContact CG-CB 3.99Å; E194-P299 HydrophobicContact CG-CG 3.71Å; E194-P299 WeakPolarHBondContact OE1-CB 3.33Å; E194-P299 WeakPolarHBondContact OE2-CA 3.43Å; E226-P299 HydrophobicContact CG-CG 4.28Å; H248-P299 WeakPolarHBondContact CE1-CD 3.24Å; H248-P299 WeakPolarHBondContact ND1-CD 3.48Å; M250-P299 HydrophobicContact CB-CB 4.06Å; M250-P299 HydrophobicContact CG-CB 3.65Å; M250-P299 HydrophobicContact CG-CG 3.85Å; M297-P299 CarbonylContact C-O 3.05Å; M297-P299 WeakPolarHBondContact CG-O 3.39Å; M297-P299 CarbonylContact O-C 3.41Å |
| 300 | P | 98.6 | Very high | 98.6 | Very high | 0 Ų | 0 | 27.3 Ų | 27.3 | 0% | 0 | 15% | 0.15 | C | C | . | . | P | Polyproline II helix | trans | -76.1 | 156.2 | -176.8 | 33.6 | -33.8 | 0 | 0 | 0 | 110.7 | E218 R221 Y284 M297 R302 | E218-P300 HydrophobicContact CB-CB 4.41Å; E218-P300 HydrophobicContact CG-CB 4.38Å; E218-P300 HydrophobicContact CG-CG 4.28Å; R221-P300 HydrophobicContact CG-CG 3.65Å; Y284-P300 HydrophobicContact CE2-CB 3.9Å; M297-P300 VanDerWaalsContact O-CA 3.31Å; M297-P300 WeakPolarHBondContact O-CA 3.36Å; P300-R302 PolarHBondContact O-NE 3.26Å |
| 301 | L | 98.9 | Very high | 98.7 | Very high | 1 Ų | 1 | 23.6 Ų | 23.6 | 1% | 0.005 | 13% | 0.133 | C | C | . | . | P | Polyproline II helix | trans | -57.6 | 140.1 | 164.5 | -68.4 | 165.7 | 0 | 0 | 0 | 109.3 | M250 A275 T279 G281 Y284 H295 | M250-L301 HydrophobicContact CE-CD2 3.75Å; M250-L301 HydrophobicContact CE-CG 4.2Å; A275-L301 HydrophobicContact CB-CD2 3.99Å; A275-L301 WeakPolarHBondContact O-CD2 3.09Å; T279-L301 HydrophobicContact CG2-CD1 3.78Å; T279-L301 HydrophobicContact CG2-CD2 4.19Å; G281-L301 WeakPolarHBondContact CA-O 3.47Å; Y284-L301 HydrophobicContact CE2-CB 4.06Å; Y284-L301 VanDerWaalsContact CE2-O 3.3Å; Y284-L301 WeakPolarHBondContact CE2-O 3.45Å; Y284-L301 PolarHBondContact OH-N 3.25Å; H295-L301 HydrophobicContact CB-CD1 4.19Å |
| 302 | R | 98.8 | Very high | 98.7 | Very high | 4 Ų | 4 | 21.3 Ų | 21.3 | 2% | 0.015 | 12% | 0.123 | C | C | . | . | P | Polyproline II helix | trans | -87.2 | 135.9 | -175.2 | -57.1 | -54.1 | 177.7 | -179.6 | -2.6 | 111.1 | R221 E226 M250 G281 P300 D304 T307 | R221-R302 PolarHBondContact O-NH1 3.48Å; E226-R302 IonicContact OE2-CZ 2.79Å; E226-R302 IonicContact OE2-NE 2.77Å; E226-R302 IonicContact OE2-NH2 3.85Å; E226-R302 PolarHBondContact OE2-NH2 2.81Å; M250-R302 VanDerWaalsContact O-CG 3.23Å; M250-R302 WeakPolarHBondContact O-CG 3.31Å; G281-R302 PolarHBondContact N-O 3Å; P300-R302 PolarHBondContact O-NE 3.26Å; R302-D304 PolarHBondContact O-N 3.37Å; R302-T307 HydrophobicContact CB-CG2 4.1Å; R302-T307 HydrophobicContact CG-CG2 4.26Å |
| 303 | P | 98.5 | Very high | 98.7 | Very high | 44 Ų | 44 | 24.2 Ų | 24.2 | 29% | 0.286 | 14% | 0.138 | S | C | . | . | S | Bend | trans | -70.1 | -12.8 | -176.2 | 27.3 | -34.3 | 0 | 0 | 0 | 113.8 | E218 T282 W285 P305 | E218-P303 HydrophobicContact CG-CG 4.4Å; E218-P303 VanDerWaalsContact OE1-CD 3.32Å; E218-P303 WeakPolarHBondContact OE1-CD 3.49Å; T282-P303 WeakPolarHBondContact CG2-O 3.37Å; W285-P303 HydrophobicContact CH2-CB 3.96Å; W285-P303 HydrophobicContact CH2-CG 4.19Å; W285-P303 HydrophobicContact CZ3-CB 3.69Å; W285-P303 HydrophobicContact CZ3-CG 4.36Å; P303-P305 WeakPolarHBondContact O-CD 3.43Å |
| 304 | D | 98.7 | Very high | 98.7 | Very high | 64 Ų | 64 | 24.9 Ų | 24.9 | 34% | 0.342 | 14% | 0.142 | S | C | . | . | trans | -71.6 | 110.3 | 170.2 | 178.2 | -9.7 | 0 | 0 | 0 | 109.6 | K252 R302 S306 T307 | K252-D304 WeakPolarHBondContact CE-OD2 3.49Å; K252-D304 IonicContact NZ-OD1 3.55Å; K252-D304 IonicContact NZ-OD2 3.78Å; K252-D304 PolarHBondContact NZ-OD2 2.77Å; R302-D304 PolarHBondContact O-N 3.37Å; D304-S306 PolarHBondContact O-N 2.95Å; D304-S306 WeakPolarHBondContact OD1-CB 3.33Å; D304-S306 PolarHBondContact OD1-N 2.81Å; D304-S306 PolarHBondContact OD1-OG 2.92Å; D304-S306 PolarHBondContact OD2-OG 2.79Å; D304-T307 VanDerWaalsContact O-CB 3.28Å; D304-T307 WeakPolarHBondContact O-CB 3.44Å; D304-T307 PolarHBondContact O-N 2.94Å; D304-T307 PolarHBondContact O-OG1 2.83Å | ||
| 305 | P | 98.6 | Very high | 98.7 | Very high | 83 Ų | 83 | 24 Ų | 24 | 54% | 0.539 | 14% | 0.137 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -66.6 | -11.6 | -175.1 | -19.9 | 34.7 | 0 | 0 | 0 | 114 | T282 P303 T307 P308 | T282-P305 HydrophobicContact CG2-CG 3.96Å; P303-P305 WeakPolarHBondContact O-CD 3.43Å; P305-T307 VanDerWaalsContact C-N 3.33Å; P305-P308 WeakPolarHBondContact O-CD 3.29Å |
| 306 | S | 98.8 | Very high | 98.7 | Very high | 57 Ų | 57 | 24.9 Ų | 24.9 | 40% | 0.399 | 15% | 0.146 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -89.4 | 1.6 | 174.8 | 64.8 | 0 | 0 | 0 | 0 | 113.2 | K252 D304 F310 | K252-S306 WeakPolarHBondContact CE-O 3.48Å; K252-S306 PolarHBondContact NZ-OG 3.03Å; D304-S306 PolarHBondContact O-N 2.95Å; D304-S306 WeakPolarHBondContact OD1-CB 3.33Å; D304-S306 PolarHBondContact OD1-N 2.81Å; D304-S306 PolarHBondContact OD1-OG 2.92Å; D304-S306 PolarHBondContact OD2-OG 2.79Å; S306-F310 WeakPolarHBondContact O-CB 3.47Å; S306-F310 PolarHBondContact O-N 2.89Å; S306-F310 VanDerWaalsContact O-N 3.11Å |
| 307 | T | 98.9 | Very high | 98.7 | Very high | 3 Ų | 3 | 29 Ų | 29 | 2% | 0.018 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -61.1 | -49.1 | 175 | -56.6 | 0 | 0 | 0 | 0 | 112.7 | M250 K252 R302 D304 P305 D309 F310 L311 | M250-T307 WeakPolarHBondContact O-CG2 3.05Å; K252-T307 HydrophobicContact CG-CG2 4.16Å; R302-T307 HydrophobicContact CB-CG2 4.1Å; R302-T307 HydrophobicContact CG-CG2 4.26Å; D304-T307 VanDerWaalsContact O-CB 3.28Å; D304-T307 WeakPolarHBondContact O-CB 3.44Å; D304-T307 PolarHBondContact O-N 2.94Å; D304-T307 PolarHBondContact O-OG1 2.83Å; P305-T307 VanDerWaalsContact C-N 3.33Å; T307-D309 VanDerWaalsContact C-N 3.34Å; T307-D309 PolarHBondContact O-N 3.41Å; T307-F310 PolarHBondContact O-N 3.06Å; T307-L311 HydrophobicContact CG2-CD1 3.93Å; T307-L311 HydrophobicContact CG2-CG 4.14Å; T307-L311 WeakPolarHBondContact O-CG 3.48Å; T307-L311 PolarHBondContact O-N 3.3Å |
| 308 | P | 98.9 | Very high | 98.7 | Very high | 14 Ų | 14 | 31 Ų | 31 | 9% | 0.091 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -61.3 | -41.7 | -179 | -25.7 | 38 | 0 | 0 | 0 | 113.2 | S276 L277 T279 D280 P305 F310 L311 M312 | S276-P308 WeakPolarHBondContact O-CA 3.41Å; S276-P308 WeakPolarHBondContact O-CB 3.42Å; L277-P308 WeakPolarHBondContact O-CB 3.35Å; T279-P308 WeakPolarHBondContact O-CG 3.45Å; D280-P308 HydrophobicContact CB-CG 4.29Å; P305-P308 WeakPolarHBondContact O-CD 3.29Å; P308-F310 PolarHBondContact O-N 3.21Å; P308-L311 PolarHBondContact O-N 2.86Å; P308-M312 WeakPolarHBondContact O-CB 3.2Å; P308-M312 PolarHBondContact O-N 2.88Å |
| 309 | D | 98.8 | Very high | 98.8 | Very high | 81 Ų | 81 | 31.6 Ų | 31.6 | 43% | 0.433 | 18% | 0.181 | S | C | . | . | H | α-helix | trans | -60.7 | -45.2 | 176 | -169.2 | 85.1 | 0 | 0 | 0 | 111.9 | T307 M312 N313 K368 | T307-D309 VanDerWaalsContact C-N 3.34Å; T307-D309 PolarHBondContact O-N 3.41Å; D309-M312 PolarHBondContact O-N 3.05Å; D309-N313 VanDerWaalsContact O-CG 3.24Å; D309-N313 PolarHBondContact O-N 3.06Å; D309-N313 PolarHBondContact O-ND2 2.86Å; D309-N313 VanDerWaalsContact O-ND2 3.12Å; D309-N313 PolarHBondContact OD2-ND2 2.97Å; D309-N313 VanDerWaalsContact OD2-ND2 3.12Å; D309-K368 WeakPolarHBondContact OD1-CE 3.5Å; D309-K368 IonicContact OD1-NZ 3.46Å; D309-K368 PolarHBondContact OD1-NZ 2.67Å; D309-K368 IonicContact OD2-NZ 3.37Å; D309-K368 PolarHBondContact OD2-NZ 3.4Å |
| 310 | F | 98.9 | Very high | 98.8 | Very high | 67 Ų | 67 | 31.6 Ų | 31.6 | 29% | 0.294 | 18% | 0.181 | S | C | . | . | H | α-helix | trans | -63.2 | -46.9 | 178.4 | -177.6 | -91.1 | 0 | 0 | 0 | 112 | K252 A255 S306 T307 P308 M312 N313 L314 | K252-F310 HydrophobicContact CB-CD1 3.73Å; K252-F310 HydrophobicContact CB-CE1 3.75Å; K252-F310 HydrophobicContact CB-CG 4.38Å; K252-F310 HydrophobicContact CB-CZ 4.44Å; K252-F310 HydrophobicContact CD-CB 4.14Å; K252-F310 HydrophobicContact CD-CD1 4.16Å; K252-F310 HydrophobicContact CD-CD2 4.41Å; K252-F310 HydrophobicContact CD-CG 3.99Å; K252-F310 HydrophobicContact CG-CB 4.06Å; K252-F310 HydrophobicContact CG-CD1 3.54Å; K252-F310 HydrophobicContact CG-CE1 4.09Å; K252-F310 HydrophobicContact CG-CG 3.84Å; A255-F310 HydrophobicContact CB-CE1 4.48Å; S306-F310 WeakPolarHBondContact O-CB 3.47Å; S306-F310 PolarHBondContact O-N 2.89Å; S306-F310 VanDerWaalsContact O-N 3.11Å; T307-F310 PolarHBondContact O-N 3.06Å; P308-F310 PolarHBondContact O-N 3.21Å; F310-M312 VanDerWaalsContact C-N 3.28Å; F310-M312 PolarHBondContact O-N 3.15Å; F310-N313 WeakPolarHBondContact O-CB 3.27Å; F310-N313 PolarHBondContact O-N 3.47Å; F310-L314 HydrophobicContact CD1-CD1 3.99Å; F310-L314 HydrophobicContact CD1-CG 4.37Å; F310-L314 HydrophobicContact CE1-CD1 3.36Å; F310-L314 HydrophobicContact CE1-CG 4.05Å; F310-L314 HydrophobicContact CZ-CD1 3.92Å; F310-L314 HydrophobicContact CZ-CG 4.4Å; F310-L314 PolarHBondContact O-N 3.26Å; F310-L314 VanDerWaalsContact O-N 3.11Å |
| 311 | L | 98.9 | Very high | 98.8 | Very high | 0 Ų | 0 | 31.6 Ų | 31.6 | 0% | 0 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -62.4 | -37.6 | 176.5 | -66 | -179 | 0 | 0 | 0 | 111.3 | V249 A255 L277 T307 P308 L314 L315 L320 | V249-L311 HydrophobicContact CG1-CD2 4.32Å; A255-L311 HydrophobicContact CB-CD2 3.53Å; L277-L311 HydrophobicContact CD2-CB 3.78Å; T307-L311 HydrophobicContact CG2-CD1 3.93Å; T307-L311 HydrophobicContact CG2-CG 4.14Å; T307-L311 WeakPolarHBondContact O-CG 3.48Å; T307-L311 PolarHBondContact O-N 3.3Å; P308-L311 PolarHBondContact O-N 2.86Å; L311-L314 PolarHBondContact O-N 3.29Å; L311-L315 WeakPolarHBondContact O-CB 3.13Å; L311-L315 PolarHBondContact O-N 2.98Å; L311-L320 HydrophobicContact CB-CD1 4.39Å; L311-L320 HydrophobicContact CD2-CD1 3.96Å |
| 312 | M | 98.9 | Very high | 98.8 | Very high | 1 Ų | 1 | 31.5 Ų | 31.5 | 1% | 0.005 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -65.4 | -37.7 | 175.7 | -168.1 | 60.8 | 77.6 | 0 | 0 | 112.4 | L277 P308 D309 F310 L314 L315 A316 I359 K362 K368 M369 | L277-M312 HydrophobicContact CB-CE 3.93Å; L277-M312 HydrophobicContact CD1-CE 4.26Å; L277-M312 HydrophobicContact CD2-CB 4.32Å; L277-M312 HydrophobicContact CD2-CE 4Å; L277-M312 HydrophobicContact CD2-SD 4.36Å; L277-M312 HydrophobicContact CG-CE 4.29Å; P308-M312 WeakPolarHBondContact O-CB 3.2Å; P308-M312 PolarHBondContact O-N 2.88Å; D309-M312 PolarHBondContact O-N 3.05Å; F310-M312 VanDerWaalsContact C-N 3.28Å; F310-M312 PolarHBondContact O-N 3.15Å; M312-L314 VanDerWaalsContact C-N 3.33Å; M312-L314 PolarHBondContact O-N 3.4Å; M312-L315 PolarHBondContact O-N 3.49Å; M312-L315 HydrophobicContact SD-CB 4.48Å; M312-L315 HydrophobicContact SD-CD2 3.96Å; M312-A316 WeakPolarHBondContact O-CB 3.32Å; M312-A316 PolarHBondContact O-N 2.96Å; M312-I359 HydrophobicContact CE-CG2 4.34Å; M312-K362 HydrophobicContact CE-CB 3.64Å; M312-K368 HydrophobicContact CB-CD 3.9Å; M312-K368 HydrophobicContact CG-CB 4.49Å; M312-K368 HydrophobicContact CG-CD 3.54Å; M312-M369 HydrophobicContact CG-CE 4.38Å; M312-M369 HydrophobicContact SD-CE 3.51Å; M312-M369 VanDerWaalsContact SD-CE 3.51Å |
| 313 | N | 98.9 | Very high | 98.8 | Very high | 62 Ų | 62 | 31.4 Ų | 31.4 | 33% | 0.332 | 18% | 0.18 | S | C | . | . | H | α-helix | trans | -62.7 | -40.9 | 173.4 | -63.5 | -35.5 | 0 | 0 | 0 | 111.4 | D309 F310 L315 A316 N317 K368 | D309-N313 VanDerWaalsContact O-CG 3.24Å; D309-N313 PolarHBondContact O-N 3.06Å; D309-N313 PolarHBondContact O-ND2 2.86Å; D309-N313 VanDerWaalsContact O-ND2 3.12Å; D309-N313 PolarHBondContact OD2-ND2 2.97Å; D309-N313 VanDerWaalsContact OD2-ND2 3.12Å; F310-N313 WeakPolarHBondContact O-CB 3.27Å; F310-N313 PolarHBondContact O-N 3.47Å; N313-L315 VanDerWaalsContact C-N 3.32Å; N313-A316 PolarHBondContact O-N 3.13Å; N313-N317 PolarHBondContact O-N 2.82Å; N313-K368 WeakPolarHBondContact OD1-CD 3.37Å; N313-K368 PolarHBondContact OD1-NZ 3.16Å |
| 314 | L | 98.9 | Very high | 98.8 | Very high | 14 Ų | 14 | 29.3 Ų | 29.3 | 7% | 0.073 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -72 | -26.9 | 176.5 | -62.7 | -171.8 | 0 | 0 | 0 | 112.9 | A255 F310 L311 M312 N317 D318 D319 L320 | A255-L314 HydrophobicContact CB-CD1 3.5Å; A255-L314 VanDerWaalsContact CB-CD1 3.5Å; F310-L314 HydrophobicContact CD1-CD1 3.99Å; F310-L314 HydrophobicContact CD1-CG 4.37Å; F310-L314 HydrophobicContact CE1-CD1 3.36Å; F310-L314 HydrophobicContact CE1-CG 4.05Å; F310-L314 HydrophobicContact CZ-CD1 3.92Å; F310-L314 HydrophobicContact CZ-CG 4.4Å; F310-L314 PolarHBondContact O-N 3.26Å; F310-L314 VanDerWaalsContact O-N 3.11Å; L311-L314 PolarHBondContact O-N 3.29Å; M312-L314 VanDerWaalsContact C-N 3.33Å; M312-L314 PolarHBondContact O-N 3.4Å; L314-N317 VanDerWaalsContact C-OD1 3.31Å; L314-N317 VanDerWaalsContact CA-OD1 3.24Å; L314-N317 WeakPolarHBondContact CA-OD1 3.42Å; L314-N317 PolarHBondContact O-OD1 2.6Å; L314-D318 PolarHBondContact O-N 3.23Å; L314-D319 HydrophobicContact CB-CB 4.09Å; L314-D319 HydrophobicContact CD2-CB 4.06Å; L314-D319 WeakPolarHBondContact CD2-OD2 3.35Å; L314-D319 PolarHBondContact O-N 2.72Å; L314-D319 VanDerWaalsContact O-N 3.14Å; L314-L320 HydrophobicContact CB-CD1 3.83Å; L314-L320 HydrophobicContact CB-CG 3.87Å; L314-L320 PolarHBondContact O-N 3.15Å |
| 315 | L | 98.8 | Very high | 98.8 | Very high | 0 Ų | 0 | 26.3 Ų | 26.3 | 0% | 0 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -72.3 | -38.9 | 170.6 | -171.1 | 63.8 | 0 | 0 | 0 | 111.3 | P272 L277 L311 M312 N313 L320 T323 M369 R373 V377 | P272-L315 HydrophobicContact CG-CD1 4.04Å; P272-L315 HydrophobicContact CG-CD2 4.46Å; L277-L315 HydrophobicContact CD1-CD2 3.86Å; L277-L315 HydrophobicContact CD2-CD2 4.47Å; L311-L315 WeakPolarHBondContact O-CB 3.13Å; L311-L315 PolarHBondContact O-N 2.98Å; M312-L315 PolarHBondContact O-N 3.49Å; M312-L315 HydrophobicContact SD-CB 4.48Å; M312-L315 HydrophobicContact SD-CD2 3.96Å; N313-L315 VanDerWaalsContact C-N 3.32Å; L315-L320 HydrophobicContact CB-CB 4.45Å; L315-L320 HydrophobicContact CD1-CB 4.14Å; L315-T323 HydrophobicContact CD1-CG2 4.04Å; L315-T323 HydrophobicContact CD2-CG2 3.42Å; L315-T323 VanDerWaalsContact CD2-CG2 3.42Å; L315-T323 HydrophobicContact CG-CG2 4.37Å; L315-M369 HydrophobicContact CB-CE 4.36Å; L315-M369 HydrophobicContact CD2-CE 4.18Å; L315-M369 HydrophobicContact CG-CE 4.16Å; L315-R373 VanDerWaalsContact O-CZ 3.23Å; L315-R373 PolarHBondContact O-NE 2.88Å; L315-R373 PolarHBondContact O-NH2 2.82Å; L315-V377 HydrophobicContact CD1-CB 3.82Å; L315-V377 HydrophobicContact CD1-CG1 3.7Å; L315-V377 HydrophobicContact CD1-CG2 4.44Å; L315-V377 HydrophobicContact CD2-CB 4.26Å; L315-V377 HydrophobicContact CD2-CG2 3.99Å; L315-V377 HydrophobicContact CG-CB 4.03Å; L315-V377 HydrophobicContact CG-CG1 3.88Å; L315-V377 HydrophobicContact CG-CG2 4.15Å |
| 316 | A | 98.9 | Very high | 98.8 | Very high | 24 Ų | 24 | 23 Ų | 23 | 20% | 0.198 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -65.4 | -37.1 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | M312 N313 K368 M369 R373 | M312-A316 WeakPolarHBondContact O-CB 3.32Å; M312-A316 PolarHBondContact O-N 2.96Å; N313-A316 PolarHBondContact O-N 3.13Å; A316-K368 VanDerWaalsContact CB-O 3.3Å; A316-K368 WeakPolarHBondContact CB-O 3.25Å; A316-M369 HydrophobicContact CB-CB 3.96Å; A316-M369 HydrophobicContact CB-CE 4.05Å; A316-R373 PolarHBondContact O-NE 2.78Å |
| 317 | N | 98.6 | Very high | 98.8 | Very high | 85 Ų | 85 | 20.2 Ų | 20.2 | 46% | 0.455 | 11% | 0.109 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -92.3 | 3.4 | -175.5 | 81 | -1.6 | 0 | 0 | 0 | 115.3 | N313 L314 D319 | N313-N317 PolarHBondContact O-N 2.82Å; L314-N317 VanDerWaalsContact C-OD1 3.31Å; L314-N317 VanDerWaalsContact CA-OD1 3.24Å; L314-N317 WeakPolarHBondContact CA-OD1 3.42Å; L314-N317 PolarHBondContact O-OD1 2.6Å; N317-D319 VanDerWaalsContact C-N 3.31Å; N317-D319 PolarHBondContact ND2-OD2 3.31Å; N317-D319 PolarHBondContact O-N 2.94Å; N317-D319 WeakPolarHBondContact OD1-CB 3.21Å; N317-D319 VanDerWaalsContact OD1-CG 3.31Å; N317-D319 PolarHBondContact OD1-N 3.48Å; N317-D319 PolarHBondContact OD1-OD2 3.26Å |
| 318 | D | 98.6 | Very high | 98.8 | Very high | 43 Ų | 43 | 20.3 Ų | 20.3 | 23% | 0.23 | 11% | 0.11 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 69.3 | 13.3 | -178.9 | -153.5 | 66.7 | 0 | 0 | 0 | 117.1 | R262 L314 L320 R373 | R262-D318 PolarHBondContact NE-O 3.3Å; R262-D318 PolarHBondContact NH2-O 3.46Å; R262-D318 VanDerWaalsContact NH2-O 3.13Å; R262-D318 IonicContact NH2-OD2 3.68Å; R262-D318 PolarHBondContact NH2-OD2 2.92Å; L314-D318 PolarHBondContact O-N 3.23Å; D318-L320 VanDerWaalsContact C-N 3.28Å; D318-R373 IonicContact OD1-CZ 2.94Å; D318-R373 IonicContact OD1-NH1 3.19Å; D318-R373 PolarHBondContact OD1-NH1 3.38Å; D318-R373 IonicContact OD1-NH2 3.13Å; D318-R373 PolarHBondContact OD1-NH2 2.93Å |
| 319 | D | 98.8 | Very high | 98.8 | Very high | 16 Ų | 16 | 19.7 Ų | 19.7 | 9% | 0.086 | 11% | 0.106 | C | C | . | . | S | Bend | trans | -66.4 | -36.5 | 163.1 | -74.3 | -31.3 | 0 | 0 | 0 | 110.1 | A259 R262 R263 L314 N317 | A259-D319 HydrophobicContact CB-CB 3.8Å; R262-D319 VanDerWaalsContact CD-O 3.29Å; R262-D319 WeakPolarHBondContact CD-O 3.38Å; R263-D319 IonicContact NH2-OD1 3.9Å; R263-D319 IonicContact NH2-OD2 3.37Å; R263-D319 PolarHBondContact NH2-OD2 3.44Å; L314-D319 HydrophobicContact CB-CB 4.09Å; L314-D319 HydrophobicContact CD2-CB 4.06Å; L314-D319 WeakPolarHBondContact CD2-OD2 3.35Å; L314-D319 PolarHBondContact O-N 2.72Å; L314-D319 VanDerWaalsContact O-N 3.14Å; N317-D319 VanDerWaalsContact C-N 3.31Å; N317-D319 PolarHBondContact ND2-OD2 3.31Å; N317-D319 PolarHBondContact O-N 2.94Å; N317-D319 WeakPolarHBondContact OD1-CB 3.21Å; N317-D319 VanDerWaalsContact OD1-CG 3.31Å; N317-D319 PolarHBondContact OD1-N 3.48Å; N317-D319 PolarHBondContact OD1-OD2 3.26Å |
| 320 | L | 98.9 | Very high | 98.7 | Very high | 0 Ų | 0 | 15.8 Ų | 15.8 | 0% | 0 | 9% | 0.085 | C | C | . | . | S | Bend | trans | -109.4 | 142.7 | 165.4 | -59 | 174.5 | 0 | 0 | 0 | 109.5 | V249 A255 I258 P272 L311 L314 L315 D318 R373 | V249-L320 HydrophobicContact CG1-CD2 4.33Å; V249-L320 HydrophobicContact CG2-CD2 4.34Å; A255-L320 HydrophobicContact CB-CD1 4.21Å; A255-L320 HydrophobicContact CB-CD2 4.32Å; I258-L320 HydrophobicContact CD1-CD2 4.18Å; I258-L320 HydrophobicContact CG2-CD2 4.47Å; P272-L320 HydrophobicContact CB-CD1 4.18Å; P272-L320 HydrophobicContact CG-CB 4.14Å; P272-L320 HydrophobicContact CG-CD1 3.82Å; L311-L320 HydrophobicContact CB-CD1 4.39Å; L311-L320 HydrophobicContact CD2-CD1 3.96Å; L314-L320 HydrophobicContact CB-CD1 3.83Å; L314-L320 HydrophobicContact CB-CG 3.87Å; L314-L320 PolarHBondContact O-N 3.15Å; L315-L320 HydrophobicContact CB-CB 4.45Å; L315-L320 HydrophobicContact CD1-CB 4.14Å; D318-L320 VanDerWaalsContact C-N 3.28Å; L320-R373 PolarHBondContact O-NH2 3.13Å; L320-R373 VanDerWaalsContact O-NH2 3.16Å |
| 321 | T | 98.4 | Very high | 98.7 | Very high | 0 Ų | 0 | 14 Ų | 14 | 0% | 0 | 8% | 0.079 | C | C | . | . | trans | -119.3 | -25.2 | -157.5 | 51.5 | 0 | 0 | 0 | 0 | 115.2 | Y269 G270 N381 | Y269-T321 HydrophobicContact CD1-CG2 4.02Å; G270-T321 PolarHBondContact N-OG1 3.23Å; G270-T321 PolarHBondContact O-N 2.88Å; G270-T321 PolarHBondContact O-OG1 3.1Å; T321-N381 WeakPolarHBondContact O-CB 3.23Å; T321-N381 PolarHBondContact O-ND2 3.08Å | ||
| 322 | T | 98.7 | Very high | 98.7 | Very high | 0 Ų | 0 | 15.8 Ų | 15.8 | 0% | 0 | 9% | 0.089 | C | C | . | . | trans | -143.8 | 168.8 | -173.4 | 43.3 | 0 | 0 | 0 | 0 | 110 | Y245 P272 V377 N381 A382 I385 | Y245-T322 HydrophobicContact CE2-CG2 4.46Å; Y245-T322 WeakPolarHBondContact CE2-OG1 3.31Å; Y245-T322 PolarHBondContact OH-OG1 3.37Å; P272-T322 VanDerWaalsContact CD-O 3.27Å; P272-T322 WeakPolarHBondContact CD-O 3.33Å; T322-V377 CarbonylContact C-O 3.48Å; T322-N381 HydrophobicContact CG2-CB 3.83Å; T322-A382 HydrophobicContact CG2-CB 4.31Å; T322-I385 HydrophobicContact CG2-CD1 3.74Å | ||
| 323 | T | 98.9 | Very high | 98.7 | Very high | 1 Ų | 1 | 20.1 Ų | 20.1 | 1% | 0.006 | 12% | 0.119 | C | C | . | . | trans | -132.9 | 132.9 | 172.6 | 55.9 | 0 | 0 | 0 | 0 | 110.8 | T66 P272 L277 L315 R355 I359 V377 | T66-T323 PolarHBondContact OG1-O 2.96Å; P272-T323 HydrophobicContact CG-CG2 4.48Å; P272-T323 WeakPolarHBondContact O-CA 3.27Å; L277-T323 HydrophobicContact CD1-CG2 3.8Å; L315-T323 HydrophobicContact CD1-CG2 4.04Å; L315-T323 HydrophobicContact CD2-CG2 3.42Å; L315-T323 VanDerWaalsContact CD2-CG2 3.42Å; L315-T323 HydrophobicContact CG-CG2 4.37Å; T323-R355 PolarHBondContact O-NH1 3.45Å; T323-R355 PolarHBondContact OG1-NH1 3.21Å; T323-R355 VanDerWaalsContact OG1-NH1 3.16Å; T323-I359 HydrophobicContact CG2-CD1 3.64Å; T323-I359 HydrophobicContact CG2-CG1 4.46Å; T323-I359 WeakPolarHBondContact OG1-CD1 3.37Å; T323-V377 PolarHBondContact N-O 3.19Å; T323-V377 PolarHBondContact OG1-O 2.92Å | ||
| 324 | G | 98.8 | Very high | 98.7 | Very high | 0 Ų | 0 | 18.5 Ų | 18.5 | 0% | 0 | 11% | 0.109 | C | C | . | . | B | Isolated β-bridge | trans | -117.4 | -166.2 | 167.4 | 0 | 0 | 0 | 0 | 0 | 111.1 | D65 P272 I273 A274 | D65-G324 WeakPolarHBondContact OD1-CA 3.3Å; P272-G324 PolarHBondContact O-N 2.96Å; I273-G324 VanDerWaalsContact CA-O 3.22Å; I273-G324 WeakPolarHBondContact CA-O 3.43Å; I273-G324 WeakPolarHBondContact CB-O 3.4Å; A274-G324 PolarHBondContact N-O 2.97Å |
| 325 | T | 98.9 | Very high | 98.6 | Very high | 1 Ų | 1 | 17.8 Ų | 17.8 | 1% | 0.006 | 11% | 0.106 | C | C | . | . | trans | -121.1 | -24.8 | 172.4 | 51.9 | 0 | 0 | 0 | 0 | 114.3 | D65 H67 A274 N327 G351 R355 | D65-T325 PolarHBondContact OD1-N 3.22Å; D65-T325 PolarHBondContact OD1-OG1 3.35Å; D65-T325 WeakPolarHBondContact OD2-CB 3.28Å; D65-T325 WeakPolarHBondContact OD2-CG2 3.33Å; D65-T325 PolarHBondContact OD2-OG1 3.33Å; H67-T325 PolarHBondContact O-N 3.04Å; H67-T325 PolarHBondContact O-OG1 2.81Å; A274-T325 HydrophobicContact CB-CG2 4.02Å; T325-N327 PolarHBondContact O-N 2.6Å; T325-N327 VanDerWaalsContact OG1-CB 3.28Å; T325-N327 WeakPolarHBondContact OG1-CB 3.4Å; T325-N327 PolarHBondContact OG1-N 3.43Å; T325-G351 VanDerWaalsContact CG2-O 3.26Å; T325-G351 WeakPolarHBondContact CG2-O 3.49Å; T325-R355 HydrophobicContact CG2-CB 3.68Å; T325-R355 HydrophobicContact CG2-CG 4Å | ||
| 326 | D | 98.5 | Very high | 98.6 | Very high | 13 Ų | 13 | 19.5 Ų | 19.5 | 7% | 0.07 | 12% | 0.119 | C | C | . | . | trans | 52.2 | 39.5 | -163.1 | -167.3 | 35.7 | 0 | 0 | 0 | 110.3 | H67 H69 H248 I273 M297 C328 | H67-D326 IonicContact CD2-OD1 3.31Å; H67-D326 PolarHBondContact CD2-OD1 3.29Å; H67-D326 IonicContact CE1-OD1 2.9Å; H67-D326 IonicContact NE2-OD1 2.63Å; H67-D326 PolarHBondContact NE2-OD1 2.86Å; H67-D326 VanDerWaalsContact O-CA 3.28Å; H67-D326 WeakPolarHBondContact O-CA 3.15Å; H67-D326 PolarHBondContact O-N 2.74Å; H69-D326 IonicContact CD2-OD1 2.88Å; H69-D326 PolarHBondContact CD2-OD1 3.48Å; H69-D326 IonicContact NE2-OD1 3.83Å; H69-D326 PolarHBondContact NE2-OD1 3.33Å; H248-D326 IonicContact CD2-OD2 3.14Å; I273-D326 HydrophobicContact CD1-CB 3.95Å; I273-D326 HydrophobicContact CG2-CB 4.3Å; M297-D326 HydrophobicContact CE-CB 3.96Å; M297-D326 WeakPolarHBondContact CE-OD2 3.38Å; D326-C328 PolarHBondContact O-N 3.04Å | ||
| 327 | N | 98.8 | Very high | 98.6 | Very high | 0 Ų | 0 | 23 Ų | 23 | 0% | 0 | 13% | 0.134 | C | C | . | . | B | Isolated β-bridge | trans | -61.9 | 105.9 | -175.3 | -171.9 | 90.6 | 0 | 0 | 0 | 110 | H67 T68 H69 T325 G351 V352 Q421 | H67-N327 PolarHBondContact O-N 3.34Å; T68-N327 HydrophobicContact CG2-CB 4.45Å; H69-N327 CarbonylContact C-O 3.5Å; H69-N327 WeakPolarHBondContact CA-O 3.46Å; H69-N327 PolarHBondContact N-O 3.26Å; T325-N327 PolarHBondContact O-N 2.6Å; T325-N327 VanDerWaalsContact OG1-CB 3.28Å; T325-N327 WeakPolarHBondContact OG1-CB 3.4Å; T325-N327 PolarHBondContact OG1-N 3.43Å; N327-G351 PolarHBondContact OD1-N 2.87Å; N327-G351 VanDerWaalsContact OD1-N 3.1Å; N327-V352 HydrophobicContact CB-CB 4.02Å; N327-V352 PolarHBondContact OD1-N 2.74Å; N327-Q421 PolarHBondContact OD1-OE1 3.35Å |
| 328 | C | 98.6 | Very high | 98.6 | Very high | 5 Ų | 5 | 19 Ų | 19 | 3% | 0.034 | 11% | 0.113 | C | C | . | . | trans | -146.4 | 87.3 | -176.3 | -171.1 | 0 | 0 | 0 | 0 | 107.2 | H69 D326 F330 G348 V349 | H69-C328 HydrophobicContact CB-CB 3.88Å; D326-C328 PolarHBondContact O-N 3.04Å; C328-F330 VanDerWaalsContact SG-CE2 3.55Å; C328-G348 CarbonylContact O-C 3.54Å; C328-G348 WeakPolarHBondContact O-CA 3.44Å; C328-V349 PolarHBondContact N-O 3.44Å; C328-V349 PolarHBondContact O-N 2.93Å; C328-V349 VanDerWaalsContact O-N 3.16Å | ||
| 329 | T | 98.5 | Very high | 98.6 | Very high | 0 Ų | 0 | 22.4 Ų | 22.4 | 0% | 0 | 13% | 0.126 | C | C | . | . | trans | -100 | 137.8 | -162.8 | 55.4 | 0 | 0 | 0 | 0 | 112 | S79 I80 D81 V349 N350 V423 | S79-T329 CarbonylContact C-O 3.48Å; S79-T329 WeakPolarHBondContact CA-O 3.47Å; S79-T329 PolarHBondContact OG-N 3.43Å; S79-T329 VanDerWaalsContact OG-N 3.13Å; S79-T329 PolarHBondContact OG-O 3.11Å; I80-T329 WeakPolarHBondContact CG2-OG1 3.16Å; I80-T329 PolarHBondContact N-O 3.13Å; D81-T329 WeakPolarHBondContact CB-OG1 3.33Å; D81-T329 VanDerWaalsContact CG-OG1 3.3Å; D81-T329 PolarHBondContact N-OG1 2.9Å; D81-T329 WeakPolarHBondContact OD2-CB 3.19Å; D81-T329 VanDerWaalsContact OD2-CG2 3.23Å; D81-T329 WeakPolarHBondContact OD2-CG2 3.21Å; D81-T329 PolarHBondContact OD2-OG1 3.16Å; T329-V349 WeakPolarHBondContact CG2-O 3.38Å; T329-N350 HydrophobicContact CG2-CB 3.72Å; T329-V423 HydrophobicContact CG2-CB 4.18Å; T329-V423 HydrophobicContact CG2-CG1 3.91Å | ||
| 330 | F | 98.7 | Very high | 98.5 | Very high | 0 Ų | 0 | 26.8 Ų | 26.8 | 0% | 0 | 15% | 0.149 | C | C | . | . | trans | -132.2 | 126.8 | 176.2 | -63.2 | -84.9 | 0 | 0 | 0 | 107.8 | F74 C328 Q334 K335 P346 N347 F425 | F74-F330 HydrophobicContact CB-CZ 4.29Å; F74-F330 HydrophobicContact CD1-CZ 4.24Å; C328-F330 VanDerWaalsContact SG-CE2 3.55Å; F330-Q334 HydrophobicContact CB-CB 3.9Å; F330-Q334 HydrophobicContact CD1-CB 4.33Å; F330-K335 HydrophobicContact CB-CD 4.3Å; F330-K335 HydrophobicContact CB-CG 4.32Å; F330-P346 HydrophobicContact CB-CB 4.34Å; F330-P346 HydrophobicContact CD1-CB 3.63Å; F330-P346 HydrophobicContact CD1-CG 4.22Å; F330-P346 HydrophobicContact CD2-CB 3.66Å; F330-P346 HydrophobicContact CE1-CB 3.73Å; F330-P346 HydrophobicContact CE2-CB 3.76Å; F330-P346 HydrophobicContact CG-CB 3.59Å; F330-P346 HydrophobicContact CG-CG 4.4Å; F330-P346 HydrophobicContact CZ-CB 3.8Å; F330-N347 WeakPolarHBondContact CE2-O 3.36Å; F330-F425 WeakPolarHBondContact O-CE1 3.4Å | ||
| 331 | N | 98.5 | Very high | 98.5 | Very high | 29 Ų | 29 | 28 Ų | 28 | 16% | 0.155 | 16% | 0.155 | C | C | . | . | trans | -57 | 159.3 | 175.7 | -84.2 | -33.7 | 0 | 0 | 0 | 111.9 | C333 Q334 K335 V423 N424 | N331-C333 PolarHBondContact O-N 3.16Å; N331-C333 VanDerWaalsContact O-N 3.07Å; N331-Q334 WeakPolarHBondContact O-CA 3.14Å; N331-Q334 WeakPolarHBondContact O-CB 3.28Å; N331-Q334 PolarHBondContact O-N 3.02Å; N331-K335 PolarHBondContact O-N 3.17Å; N331-V423 WeakPolarHBondContact OD1-CA 3.15Å; N331-N424 PolarHBondContact OD1-N 2.8Å; N331-N424 PolarHBondContact OD1-OD1 3.13Å | ||
| 332 | T | 98.5 | Very high | 98.5 | Very high | 37 Ų | 37 | 28 Ų | 28 | 23% | 0.227 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -49.8 | -38.8 | 177.5 | -55.8 | 0 | 0 | 0 | 0 | 113.1 | H290 H294 K335 A336 N424 | H290-T332 HydrophobicContact CB-CG2 3.9Å; H294-T332 PolarHBondContact NE2-OG1 2.94Å; T332-K335 PolarHBondContact O-N 3.13Å; T332-A336 WeakPolarHBondContact O-CB 3.46Å; T332-A336 PolarHBondContact O-N 2.95Å; T332-N424 PolarHBondContact N-OD1 3.16Å; T332-N424 PolarHBondContact OG1-OD1 2.89Å |
| 333 | C | 98.2 | Very high | 98.5 | Very high | 92 Ų | 92 | 30.3 Ų | 30.3 | 62% | 0.622 | 17% | 0.17 | S | C | * | . | H | α-helix | trans | -68.4 | -33.3 | 177 | 60 | 0 | 0 | 0 | 0 | 113.6 | N331 A336 | N331-C333 PolarHBondContact O-N 3.16Å; N331-C333 VanDerWaalsContact O-N 3.07Å; C333-A336 PolarHBondContact O-N 3.19Å |
| 334 | Q | 98.6 | Very high | 98.5 | Very high | 28 Ų | 28 | 35.8 Ų | 35.8 | 13% | 0.131 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -72.7 | -40.5 | 173.9 | -65 | 172.2 | -75.2 | 0 | 0 | 110.5 | S77 R78 F330 N331 A336 L337 P346 | S77-Q334 PolarHBondContact OG-NE2 2.77Å; R78-Q334 PolarHBondContact O-NE2 2.9Å; F330-Q334 HydrophobicContact CB-CB 3.9Å; F330-Q334 HydrophobicContact CD1-CB 4.33Å; N331-Q334 WeakPolarHBondContact O-CA 3.14Å; N331-Q334 WeakPolarHBondContact O-CB 3.28Å; N331-Q334 PolarHBondContact O-N 3.02Å; Q334-A336 PolarHBondContact O-N 3.3Å; Q334-L337 WeakPolarHBondContact O-CB 3.39Å; Q334-L337 WeakPolarHBondContact O-CD1 3.43Å; Q334-L337 WeakPolarHBondContact O-CG 3.4Å; Q334-L337 PolarHBondContact O-N 3.41Å; Q334-P346 WeakPolarHBondContact O-CD 3.37Å |
| 335 | K | 98.6 | Very high | 98.5 | Very high | 0 Ų | 0 | 35.8 Ų | 35.8 | 0% | 0 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -57.3 | -39.8 | 172 | -68.4 | -70.3 | -169 | 174.3 | 0 | 111.5 | W289 A293 V296 F330 N331 T332 L337 G338 I345 P346 G348 | W289-K335 HydrophobicContact CH2-CB 4.48Å; W289-K335 WeakPolarHBondContact CH2-O 3.43Å; A293-K335 HydrophobicContact CB-CB 4.3Å; A293-K335 WeakPolarHBondContact O-CD 3.34Å; A293-K335 WeakPolarHBondContact O-CE 3.33Å; V296-K335 PolarHBondContact O-NZ 2.86Å; F330-K335 HydrophobicContact CB-CD 4.3Å; F330-K335 HydrophobicContact CB-CG 4.32Å; N331-K335 PolarHBondContact O-N 3.17Å; T332-K335 PolarHBondContact O-N 3.13Å; K335-L337 PolarHBondContact O-N 3.45Å; K335-G338 PolarHBondContact O-N 3.33Å; K335-G338 VanDerWaalsContact O-N 3.16Å; K335-I345 HydrophobicContact CB-CG2 4.39Å; K335-I345 HydrophobicContact CD-CG2 3.55Å; K335-P346 PolarHBondContact NZ-O 2.98Å; K335-G348 WeakPolarHBondContact CE-O 3.32Å; K335-G348 PolarHBondContact NZ-O 2.74Å |
| 336 | A | 98.4 | Very high | 98.4 | Very high | 35 Ų | 35 | 35.7 Ų | 35.7 | 29% | 0.289 | 19% | 0.193 | S | C | . | . | G | 310 helix | trans | -61.5 | -8.9 | 180 | 0 | 0 | 0 | 0 | 0 | 115.5 | W289 T332 C333 Q334 G338 K339 | W289-A336 VanDerWaalsContact CH2-CA 3.49Å; W289-A336 HydrophobicContact CH2-CB 4.33Å; W289-A336 HydrophobicContact CZ3-CB 4.17Å; T332-A336 WeakPolarHBondContact O-CB 3.46Å; T332-A336 PolarHBondContact O-N 2.95Å; C333-A336 PolarHBondContact O-N 3.19Å; Q334-A336 PolarHBondContact O-N 3.3Å; A336-G338 PolarHBondContact O-N 2.99Å; A336-K339 WeakPolarHBondContact O-CB 3.37Å; A336-K339 WeakPolarHBondContact O-CG 3.37Å; A336-K339 PolarHBondContact O-N 2.84Å; A336-K339 VanDerWaalsContact O-N 3.11Å |
| 337 | L | 98.3 | Very high | 98.4 | Very high | 98 Ų | 98 | 35.8 Ų | 35.8 | 51% | 0.513 | 19% | 0.193 | S | C | . | . | G | 310 helix | trans | -55.3 | -29.5 | 168.4 | -69.2 | 173.4 | 0 | 0 | 0 | 112.6 | Q334 K335 P346 | Q334-L337 WeakPolarHBondContact O-CB 3.39Å; Q334-L337 WeakPolarHBondContact O-CD1 3.43Å; Q334-L337 WeakPolarHBondContact O-CG 3.4Å; Q334-L337 PolarHBondContact O-N 3.41Å; K335-L337 PolarHBondContact O-N 3.45Å; L337-P346 HydrophobicContact CD1-CG 4.21Å |
| 338 | G | 98.1 | Very high | 98.4 | Very high | 0 Ų | 0 | 35.8 Ų | 35.8 | 0% | 0 | 19% | 0.194 | C | C | . | . | G | 310 helix | trans | -104.6 | 24.8 | 176.6 | 0 | 0 | 0 | 0 | 0 | 115.2 | K335 A336 D340 D341 | K335-G338 PolarHBondContact O-N 3.33Å; K335-G338 VanDerWaalsContact O-N 3.16Å; A336-G338 PolarHBondContact O-N 2.99Å; G338-D340 PolarHBondContact O-N 3.14Å; G338-D341 CarbonylContact C-O 3.45Å; G338-D341 WeakPolarHBondContact CA-O 3.41Å; G338-D341 CarbonylContact O-C 3.49Å; G338-D341 PolarHBondContact O-N 3.09Å; G338-D341 VanDerWaalsContact O-N 3.09Å; G338-D341 VanDerWaalsContact O-O 3.1Å |
| 339 | K | 98.3 | Very high | 98.4 | Very high | 115 Ų | 115 | 35.6 Ų | 35.6 | 50% | 0.5 | 19% | 0.192 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -57 | -31.2 | -178 | 72.4 | -177.9 | -172.9 | 66.8 | 0 | 114.8 | W289 A336 | W289-K339 HydrophobicContact CH2-CB 4.27Å; W289-K339 HydrophobicContact CZ2-CB 4Å; W289-K339 PolarHBondContact NE1-O 2.96Å; A336-K339 WeakPolarHBondContact O-CB 3.37Å; A336-K339 WeakPolarHBondContact O-CG 3.37Å; A336-K339 PolarHBondContact O-N 2.84Å; A336-K339 VanDerWaalsContact O-N 3.11Å |
| 340 | D | 98.2 | Very high | 98.4 | Very high | 109 Ų | 109 | 35.6 Ų | 35.6 | 58% | 0.583 | 19% | 0.192 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -109.8 | 4.3 | 179.2 | -49.7 | -54.3 | 0 | 0 | 0 | 112.2 | T212 G338 | T212-D340 VanDerWaalsContact CB-O 3.31Å; T212-D340 WeakPolarHBondContact CB-O 3.48Å; T212-D340 WeakPolarHBondContact CG2-O 3.44Å; G338-D340 PolarHBondContact O-N 3.14Å |
| 341 | D | 98.6 | Very high | 98.4 | Very high | 24 Ų | 24 | 35.6 Ų | 35.6 | 13% | 0.128 | 19% | 0.192 | C | C | . | . | trans | -163.9 | 100.2 | -174.9 | -179.3 | -11.7 | 0 | 0 | 0 | 109.8 | G338 T343 K344 | G338-D341 CarbonylContact C-O 3.45Å; G338-D341 WeakPolarHBondContact CA-O 3.41Å; G338-D341 CarbonylContact O-C 3.49Å; G338-D341 PolarHBondContact O-N 3.09Å; G338-D341 VanDerWaalsContact O-N 3.09Å; G338-D341 VanDerWaalsContact O-O 3.1Å; D341-T343 PolarHBondContact O-N 3.19Å; D341-T343 WeakPolarHBondContact OD1-CB 3.45Å; D341-T343 PolarHBondContact OD1-N 3.2Å; D341-T343 PolarHBondContact OD1-OG1 3.5Å; D341-T343 PolarHBondContact OD2-OG1 2.81Å; D341-K344 HydrophobicContact CB-CD 4.18Å; D341-K344 HydrophobicContact CB-CG 4.39Å; D341-K344 PolarHBondContact O-N 3.43Å; D341-K344 VanDerWaalsContact OD2-CE 3.32Å; D341-K344 WeakPolarHBondContact OD2-CE 3.34Å; D341-K344 IonicContact OD2-NZ 3.85Å; D341-K344 PolarHBondContact OD2-NZ 3.15Å | ||
| 342 | F | 98.6 | Very high | 98.4 | Very high | 0 Ų | 0 | 34.2 Ų | 34.2 | 0% | 0 | 19% | 0.185 | C | C | . | . | G | 310 helix | trans | -56.3 | -25.6 | -177 | 74.2 | -94.7 | 0 | 0 | 0 | 113.8 | A203 M206 L207 T212 G213 G216 H217 C220 K344 I345 | A203-F342 HydrophobicContact CB-CE2 4.45Å; A203-F342 HydrophobicContact CB-CZ 4.2Å; M206-F342 HydrophobicContact CB-CE1 3.82Å; M206-F342 HydrophobicContact CB-CZ 3.98Å; L207-F342 HydrophobicContact CD2-CD1 4.12Å; L207-F342 HydrophobicContact CD2-CE1 3.9Å; L207-F342 HydrophobicContact CG-CE1 4.08Å; T212-F342 PolarHBondContact O-N 2.82Å; G213-F342 VanDerWaalsContact O-CB 3.29Å; G213-F342 WeakPolarHBondContact O-CB 3.38Å; G216-F342 WeakPolarHBondContact O-CE2 3.45Å; G216-F342 WeakPolarHBondContact O-CZ 3.29Å; H217-F342 VanDerWaalsContact CA-CD2 3.46Å; H217-F342 HydrophobicContact CB-CD2 3.7Å; H217-F342 HydrophobicContact CB-CE2 4.3Å; H217-F342 HydrophobicContact CB-CG 4.4Å; C220-F342 HydrophobicContact CB-CE2 4.44Å; C220-F342 HydrophobicContact CB-CZ 4.26Å; F342-K344 PolarHBondContact O-N 2.84Å; F342-K344 VanDerWaalsContact O-N 3.17Å; F342-I345 HydrophobicContact CB-CD1 4.14Å; F342-I345 WeakPolarHBondContact O-CB 3.2Å; F342-I345 PolarHBondContact O-N 3.45Å; F342-I345 VanDerWaalsContact O-N 3.13Å |
| 343 | T | 98.1 | Very high | 98.4 | Very high | 49 Ų | 49 | 32.7 Ų | 32.7 | 30% | 0.301 | 18% | 0.175 | S | C | . | . | G | 310 helix | trans | -68 | -15.2 | 179.9 | 72.8 | 0 | 0 | 0 | 0 | 112.8 | M75 A203 L207 D341 | M75-T343 WeakPolarHBondContact CE-O 3.45Å; A203-T343 HydrophobicContact CB-CG2 4.02Å; L207-T343 HydrophobicContact CD1-CG2 3.89Å; L207-T343 HydrophobicContact CG-CG2 4.46Å; D341-T343 PolarHBondContact O-N 3.19Å; D341-T343 WeakPolarHBondContact OD1-CB 3.45Å; D341-T343 PolarHBondContact OD1-N 3.2Å; D341-T343 PolarHBondContact OD1-OG1 3.5Å; D341-T343 PolarHBondContact OD2-OG1 2.81Å |
| 344 | K | 98.3 | Very high | 98.4 | Very high | 116 Ų | 116 | 28.3 Ų | 28.3 | 50% | 0.504 | 15% | 0.146 | S | C | . | . | G | 310 helix | trans | -100.1 | -1.8 | 177.6 | -63.3 | 178.4 | -178.9 | 125.2 | 0 | 113.5 | D341 F342 P346 | D341-K344 HydrophobicContact CB-CD 4.18Å; D341-K344 HydrophobicContact CB-CG 4.39Å; D341-K344 PolarHBondContact O-N 3.43Å; D341-K344 VanDerWaalsContact OD2-CE 3.32Å; D341-K344 WeakPolarHBondContact OD2-CE 3.34Å; D341-K344 IonicContact OD2-NZ 3.85Å; D341-K344 PolarHBondContact OD2-NZ 3.15Å; F342-K344 PolarHBondContact O-N 2.84Å; F342-K344 VanDerWaalsContact O-N 3.17Å; K344-P346 VanDerWaalsContact O-CD 3.27Å; K344-P346 WeakPolarHBondContact O-CD 3.21Å |
| 345 | I | 98.6 | Very high | 98.5 | Very high | 0 Ų | 0 | 27 Ų | 27 | 0% | 0 | 14% | 0.14 | C | C | . | . | S | Bend | trans | -70.4 | 120.4 | 172.1 | -58.1 | 174 | 0 | 0 | 0 | 107.3 | M75 P214 W289 A293 V296 K335 F342 N347 | M75-I345 VanDerWaalsContact CE-O 3.31Å; M75-I345 WeakPolarHBondContact CE-O 3.32Å; P214-I345 HydrophobicContact CB-CD1 4.43Å; P214-I345 HydrophobicContact CG-CD1 4.03Å; W289-I345 HydrophobicContact CZ2-CD1 3.9Å; W289-I345 HydrophobicContact CZ2-CG1 4.23Å; A293-I345 HydrophobicContact CB-CD1 4.24Å; V296-I345 HydrophobicContact CB-CG2 3.88Å; V296-I345 HydrophobicContact CG1-CB 4.11Å; V296-I345 HydrophobicContact CG1-CG2 3.83Å; V296-I345 HydrophobicContact CG2-CD1 4.14Å; V296-I345 HydrophobicContact CG2-CG2 4.27Å; K335-I345 HydrophobicContact CB-CG2 4.39Å; K335-I345 HydrophobicContact CD-CG2 3.55Å; F342-I345 HydrophobicContact CB-CD1 4.14Å; F342-I345 WeakPolarHBondContact O-CB 3.2Å; F342-I345 PolarHBondContact O-N 3.45Å; F342-I345 VanDerWaalsContact O-N 3.13Å; I345-N347 PolarHBondContact O-N 3.03Å |
| 346 | P | 98 | Very high | 98.5 | Very high | 0 Ų | 0 | 27 Ų | 27 | 0% | 0 | 14% | 0.14 | C | C | . | . | P | Polyproline II helix | trans | -57.2 | 123.9 | 174.5 | -25.7 | 36.2 | 0 | 0 | 0 | 110.7 | M75 F330 Q334 K335 L337 K344 | M75-P346 HydrophobicContact CB-CB 4.43Å; F330-P346 HydrophobicContact CB-CB 4.34Å; F330-P346 HydrophobicContact CD1-CB 3.63Å; F330-P346 HydrophobicContact CD1-CG 4.22Å; F330-P346 HydrophobicContact CD2-CB 3.66Å; F330-P346 HydrophobicContact CE1-CB 3.73Å; F330-P346 HydrophobicContact CE2-CB 3.76Å; F330-P346 HydrophobicContact CG-CB 3.59Å; F330-P346 HydrophobicContact CG-CG 4.4Å; F330-P346 HydrophobicContact CZ-CB 3.8Å; Q334-P346 WeakPolarHBondContact O-CD 3.37Å; K335-P346 PolarHBondContact NZ-O 2.98Å; L337-P346 HydrophobicContact CD1-CG 4.21Å; K344-P346 VanDerWaalsContact O-CD 3.27Å; K344-P346 WeakPolarHBondContact O-CD 3.21Å |
| 347 | N | 97.9 | Very high | 98.5 | Very high | 14 Ų | 14 | 25.3 Ų | 25.3 | 8% | 0.075 | 13% | 0.126 | C | C | . | . | P | Polyproline II helix | trans | -77.8 | 129.7 | -177.4 | -71.5 | -82.3 | 0 | 0 | 0 | 110.9 | F74 M75 H217 V296 F330 I345 | F74-N347 HydrophobicContact CE1-CB 4.02Å; M75-N347 HydrophobicContact SD-CB 4.3Å; M75-N347 PolarHBondContact SD-ND2 3.05Å; H217-N347 PolarHBondContact CE1-OD1 2.68Å; H217-N347 PolarHBondContact NE2-OD1 2.77Å; H217-N347 VanDerWaalsContact NE2-OD1 3.15Å; V296-N347 WeakPolarHBondContact CG1-OD1 3.28Å; F330-N347 WeakPolarHBondContact CE2-O 3.36Å; I345-N347 PolarHBondContact O-N 3.03Å |
| 348 | G | 98.3 | Very high | 98.5 | Very high | 1 Ų | 1 | 20.7 Ų | 20.7 | 1% | 0.01 | 10% | 0.101 | C | C | . | . | trans | 148.4 | 154.9 | 174.5 | 0 | 0 | 0 | 0 | 0 | 113.1 | V296 C328 K335 | V296-G348 PolarHBondContact O-N 2.95Å; C328-G348 CarbonylContact O-C 3.54Å; C328-G348 WeakPolarHBondContact O-CA 3.44Å; K335-G348 WeakPolarHBondContact CE-O 3.32Å; K335-G348 PolarHBondContact NZ-O 2.74Å | ||
| 349 | V | 98.9 | Very high | 98.6 | Very high | 0 Ų | 0 | 20.7 Ų | 20.7 | 0% | 0 | 10% | 0.101 | C | C | . | . | B | Isolated β-bridge | trans | -135.2 | 175.5 | -178.6 | -60.9 | 0 | 0 | 0 | 0 | 110.7 | A275 M297 C328 T329 I427 | A275-V349 HydrophobicContact CB-CG2 3.96Å; M297-V349 HydrophobicContact CB-CG1 4.19Å; M297-V349 HydrophobicContact CE-CG2 3.68Å; M297-V349 HydrophobicContact CG-CG1 4.33Å; M297-V349 HydrophobicContact SD-CB 4.38Å; M297-V349 HydrophobicContact SD-CG1 3.96Å; M297-V349 HydrophobicContact SD-CG2 3.51Å; M297-V349 VanDerWaalsContact SD-CG2 3.51Å; C328-V349 PolarHBondContact N-O 3.44Å; C328-V349 PolarHBondContact O-N 2.93Å; C328-V349 VanDerWaalsContact O-N 3.16Å; T329-V349 WeakPolarHBondContact CG2-O 3.38Å; V349-I427 HydrophobicContact CB-CD1 3.96Å; V349-I427 HydrophobicContact CB-CG2 4.07Å; V349-I427 HydrophobicContact CG1-CD1 4.37Å; V349-I427 HydrophobicContact CG1-CG2 4.03Å; V349-I427 HydrophobicContact CG2-CD1 3.85Å |
| 350 | N | 98.8 | Very high | 98.6 | Very high | 0 Ų | 0 | 15.9 Ų | 15.9 | 0% | 0 | 8% | 0.08 | C | C | . | . | trans | -87.7 | 162 | 174.7 | 80 | -88.6 | 0 | 0 | 0 | 111 | T329 Q421 V423 N426 I427 | T329-N350 HydrophobicContact CG2-CB 3.72Å; N350-Q421 VanDerWaalsContact CB-OE1 3.27Å; N350-V423 HydrophobicContact CB-CG1 3.93Å; N350-N426 PolarHBondContact ND2-ND2 3.19Å; N350-N426 PolarHBondContact ND2-OD1 2.79Å; N350-N426 WeakPolarHBondContact OD1-CA 3.35Å; N350-I427 PolarHBondContact OD1-N 3.49Å | ||
| 351 | G | 98.5 | Very high | 98.6 | Very high | 0 Ų | 0 | 12.2 Ų | 12.2 | 0% | 0 | 6% | 0.06 | C | C | . | . | trans | 171.2 | -16.6 | 172.3 | 0 | 0 | 0 | 0 | 0 | 116.6 | T325 N327 E353 D354 R355 Q421 | T325-G351 VanDerWaalsContact CG2-O 3.26Å; T325-G351 WeakPolarHBondContact CG2-O 3.49Å; N327-G351 PolarHBondContact OD1-N 2.87Å; N327-G351 VanDerWaalsContact OD1-N 3.1Å; G351-E353 PolarHBondContact O-N 2.91Å; G351-E353 VanDerWaalsContact O-N 3.16Å; G351-D354 PolarHBondContact O-N 3.36Å; G351-R355 PolarHBondContact O-N 3.33Å; G351-Q421 VanDerWaalsContact N-OE1 3.16Å | ||
| 352 | V | 98.8 | Very high | 98.6 | Very high | 0 Ų | 0 | 14.8 Ų | 14.8 | 0% | 0 | 7% | 0.07 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -55.4 | -37.1 | -172.6 | 70.7 | 0 | 0 | 0 | 0 | 113.7 | T68 M70 A89 A90 I98 N327 Q421 | T68-V352 HydrophobicContact CG2-CG2 4.5Å; M70-V352 HydrophobicContact CE-CB 4.47Å; M70-V352 HydrophobicContact CE-CG2 4.06Å; A89-V352 HydrophobicContact CB-CG1 3.77Å; A90-V352 HydrophobicContact CB-CG2 3.61Å; I98-V352 HydrophobicContact CG2-CG2 4.3Å; N327-V352 HydrophobicContact CB-CB 4.02Å; N327-V352 PolarHBondContact OD1-N 2.74Å; V352-Q421 HydrophobicContact CG1-CG 4.25Å |
| 353 | E | 98.9 | Very high | 98.6 | Very high | 6 Ų | 6 | 14.8 Ų | 14.8 | 3% | 0.028 | 7% | 0.07 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -80.4 | -34.3 | 176.9 | -177.9 | 171.4 | 159.5 | 0 | 0 | 112.9 | A89 A92 G93 G351 H419 H420 Q421 | A89-E353 HydrophobicContact CB-CB 4.15Å; A89-E353 WeakPolarHBondContact O-CA 3.49Å; A89-E353 WeakPolarHBondContact O-CB 3.26Å; A89-E353 WeakPolarHBondContact O-CG 3.43Å; A92-E353 HydrophobicContact CB-CG 4.48Å; G93-E353 WeakPolarHBondContact CA-O 3.32Å; G351-E353 PolarHBondContact O-N 2.91Å; G351-E353 VanDerWaalsContact O-N 3.16Å; E353-H419 WeakPolarHBondContact OE1-CA 3.39Å; E353-H420 IonicContact OE1-CE1 3.97Å; E353-H420 IonicContact OE1-CG 3.54Å; E353-H420 PolarHBondContact OE1-N 2.98Å; E353-H420 IonicContact OE1-ND1 2.78Å; E353-H420 PolarHBondContact OE1-ND1 2.78Å; E353-H420 WeakPolarHBondContact OE2-CA 3.3Å; E353-H420 WeakPolarHBondContact OE2-CB 3.27Å; E353-H420 IonicContact OE2-CG 3.53Å; E353-H420 PolarHBondContact OE2-N 2.88Å; E353-H420 IonicContact OE2-ND1 3.22Å; E353-Q421 HydrophobicContact CB-CG 4.27Å |
| 354 | D | 98.8 | Very high | 98.7 | Very high | 0 Ų | 0 | 13.5 Ų | 13.5 | 0% | 0 | 6% | 0.061 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -92.6 | -18.9 | -167 | -63.6 | -53.2 | 0 | 0 | 0 | 113.4 | G351 M356 S357 V358 R412 I414 Q421 N426 F428 | G351-D354 PolarHBondContact O-N 3.36Å; D354-M356 VanDerWaalsContact C-N 3.34Å; D354-M356 PolarHBondContact O-N 3.31Å; D354-S357 PolarHBondContact O-N 3.06Å; D354-S357 VanDerWaalsContact O-N 3.16Å; D354-V358 HydrophobicContact CB-CG2 4.12Å; D354-V358 WeakPolarHBondContact O-CB 3.39Å; D354-V358 WeakPolarHBondContact O-CG2 3.45Å; D354-V358 PolarHBondContact O-N 3.22Å; D354-R412 IonicContact OD1-CZ 3.67Å; D354-R412 VanDerWaalsContact OD1-CZ 3.31Å; D354-R412 IonicContact OD1-NH1 3.45Å; D354-R412 PolarHBondContact OD1-NH1 2.94Å; D354-R412 IonicContact OD1-NH2 3.18Å; D354-R412 PolarHBondContact OD1-NH2 2.63Å; D354-I414 HydrophobicContact CB-CD1 4.02Å; D354-Q421 PolarHBondContact OD2-NE2 3.22Å; D354-N426 PolarHBondContact OD2-ND2 3.3Å; D354-F428 HydrophobicContact CB-CD2 3.85Å; D354-F428 HydrophobicContact CB-CE2 4.14Å |
| 355 | R | 98.9 | Very high | 98.7 | Very high | 0 Ų | 0 | 12.6 Ų | 12.6 | 0% | 0 | 6% | 0.059 | C | C | . | . | H | α-helix | trans | -44.2 | -53.5 | -175.8 | -175.3 | -174 | 64.6 | 113.8 | 2.3 | 113.3 | G63 I64 T95 A274 T323 T325 G351 V358 I359 T378 | G63-R355 VanDerWaalsContact CA-NH2 3.29Å; I64-R355 PolarHBondContact O-NH1 2.76Å; I64-R355 VanDerWaalsContact O-NH1 3.15Å; T95-R355 PolarHBondContact OG1-NH2 3.16Å; A274-R355 HydrophobicContact CB-CB 4.12Å; A274-R355 HydrophobicContact CB-CG 4.19Å; T323-R355 PolarHBondContact O-NH1 3.45Å; T323-R355 PolarHBondContact OG1-NH1 3.21Å; T323-R355 VanDerWaalsContact OG1-NH1 3.16Å; T325-R355 HydrophobicContact CG2-CB 3.68Å; T325-R355 HydrophobicContact CG2-CG 4Å; G351-R355 PolarHBondContact O-N 3.33Å; R355-V358 PolarHBondContact O-N 3.06Å; R355-I359 HydrophobicContact CG-CD1 3.56Å; R355-I359 WeakPolarHBondContact O-CB 3.27Å; R355-I359 WeakPolarHBondContact O-CD1 3.45Å; R355-I359 WeakPolarHBondContact O-CG1 3.3Å; R355-I359 PolarHBondContact O-N 3.25Å; R355-T378 PolarHBondContact NH1-O 2.7Å; R355-T378 PolarHBondContact NH2-O 3.49Å |
| 356 | M | 98.9 | Very high | 98.7 | Very high | 0 Ų | 0 | 15.7 Ų | 15.7 | 0% | 0 | 8% | 0.08 | C | C | . | . | H | α-helix | trans | -64 | -47 | -174.4 | -63.3 | -67.7 | -77.2 | 0 | 0 | 111.6 | G93 D354 W360 F374 T378 W406 | G93-M356 VanDerWaalsContact O-CB 3.3Å; G93-M356 WeakPolarHBondContact O-CB 3.42Å; G93-M356 VanDerWaalsContact O-CG 3.27Å; G93-M356 WeakPolarHBondContact O-CG 3.39Å; D354-M356 VanDerWaalsContact C-N 3.34Å; D354-M356 PolarHBondContact O-N 3.31Å; M356-W360 VanDerWaalsContact O-CB 3.3Å; M356-W360 WeakPolarHBondContact O-CB 3.47Å; M356-W360 PolarHBondContact O-N 3.12Å; M356-F374 HydrophobicContact CB-CZ 4.29Å; M356-F374 HydrophobicContact CE-CE1 3.72Å; M356-F374 HydrophobicContact CE-CZ 3.65Å; M356-F374 WeakPolarHBondContact O-CE2 3.49Å; M356-F374 HydrophobicContact SD-CZ 4.17Å; M356-T378 HydrophobicContact CE-CG2 4.49Å; M356-T378 VanDerWaalsContact SD-CB 3.58Å; M356-T378 HydrophobicContact SD-CG2 3.82Å; M356-W406 HydrophobicContact CB-CH2 3.86Å; M356-W406 HydrophobicContact CB-CZ3 3.87Å |
| 357 | S | 98.8 | Very high | 98.7 | Very high | 0 Ų | 0 | 18.8 Ų | 18.8 | 0% | 0 | 11% | 0.112 | C | C | . | . | H | α-helix | trans | -70.4 | -37.7 | 179.3 | -63.8 | 0 | 0 | 0 | 0 | 112.3 | D354 W360 E361 R412 G435 | D354-S357 PolarHBondContact O-N 3.06Å; D354-S357 VanDerWaalsContact O-N 3.16Å; S357-W360 PolarHBondContact O-N 3.12Å; S357-E361 VanDerWaalsContact O-CB 3.27Å; S357-E361 WeakPolarHBondContact O-CB 3.28Å; S357-E361 PolarHBondContact O-N 2.79Å; S357-R412 PolarHBondContact OG-NE 2.99Å; S357-R412 VanDerWaalsContact OG-NE 3.13Å; S357-R412 PolarHBondContact OG-NH2 2.79Å; S357-G435 PolarHBondContact OG-O 2.88Å |
| 358 | V | 98.9 | Very high | 98.8 | Very high | 0 Ų | 0 | 20.7 Ų | 20.7 | 0% | 0 | 12% | 0.12 | C | C | . | . | H | α-helix | trans | -62.8 | -46.7 | 177 | 169.8 | 0 | 0 | 0 | 0 | 110.4 | D354 R355 W360 E361 K362 I414 F428 M431 | D354-V358 HydrophobicContact CB-CG2 4.12Å; D354-V358 WeakPolarHBondContact O-CB 3.39Å; D354-V358 WeakPolarHBondContact O-CG2 3.45Å; D354-V358 PolarHBondContact O-N 3.22Å; R355-V358 PolarHBondContact O-N 3.06Å; V358-W360 VanDerWaalsContact C-N 3.35Å; V358-E361 PolarHBondContact O-N 3.01Å; V358-K362 HydrophobicContact CG1-CG 4.42Å; V358-K362 VanDerWaalsContact O-CB 3.31Å; V358-K362 WeakPolarHBondContact O-CB 3.42Å; V358-K362 VanDerWaalsContact O-CG 3.29Å; V358-K362 WeakPolarHBondContact O-CG 3.48Å; V358-K362 PolarHBondContact O-N 2.73Å; V358-I414 HydrophobicContact CG2-CD1 3.88Å; V358-F428 HydrophobicContact CG1-CE1 4.38Å; V358-F428 HydrophobicContact CG2-CD1 4.2Å; V358-F428 HydrophobicContact CG2-CD2 4.14Å; V358-F428 HydrophobicContact CG2-CE1 4.37Å; V358-F428 HydrophobicContact CG2-CE2 4.31Å; V358-F428 HydrophobicContact CG2-CG 4.08Å; V358-F428 HydrophobicContact CG2-CZ 4.42Å; V358-M431 HydrophobicContact CG2-SD 4.08Å |
| 359 | I | 98.9 | Very high | 98.8 | Very high | 0 Ų | 0 | 21.3 Ų | 21.3 | 0% | 0 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -67.4 | -38.4 | 177.9 | -62.8 | 163 | 0 | 0 | 0 | 110.7 | L277 M312 T323 R355 G363 F374 V377 T378 | L277-I359 HydrophobicContact CD1-CG1 4.1Å; M312-I359 HydrophobicContact CE-CG2 4.34Å; T323-I359 HydrophobicContact CG2-CD1 3.64Å; T323-I359 HydrophobicContact CG2-CG1 4.46Å; T323-I359 WeakPolarHBondContact OG1-CD1 3.37Å; R355-I359 HydrophobicContact CG-CD1 3.56Å; R355-I359 WeakPolarHBondContact O-CB 3.27Å; R355-I359 WeakPolarHBondContact O-CD1 3.45Å; R355-I359 WeakPolarHBondContact O-CG1 3.3Å; R355-I359 PolarHBondContact O-N 3.25Å; I359-G363 VanDerWaalsContact O-CA 3.26Å; I359-G363 WeakPolarHBondContact O-CA 3.3Å; I359-G363 PolarHBondContact O-N 3.16Å; I359-F374 HydrophobicContact CB-CD2 4.49Å; I359-F374 HydrophobicContact CB-CE2 4.11Å; I359-F374 HydrophobicContact CG2-CD2 3.9Å; I359-F374 HydrophobicContact CG2-CE2 4.01Å; I359-V377 HydrophobicContact CG2-CG2 4.47Å; I359-T378 HydrophobicContact CD1-CG2 3.93Å; I359-T378 HydrophobicContact CG2-CG2 4.29Å |
| 360 | W | 98.9 | Very high | 98.8 | Very high | 14 Ų | 14 | 25.3 Ų | 25.3 | 5% | 0.053 | 14% | 0.144 | C | C | . | . | I | π-helix | trans | -61.4 | -50.6 | 175.4 | -177.9 | -79.9 | 0 | 0 | 0 | 111.6 | L58 M356 S357 V358 V364 H365 E371 F374 W406 P408 H434 | L58-W360 HydrophobicContact CD1-CH2 3.43Å; L58-W360 VanDerWaalsContact CD1-CH2 3.43Å; L58-W360 HydrophobicContact CD1-CZ2 4.4Å; L58-W360 HydrophobicContact CD1-CZ3 3.92Å; M356-W360 VanDerWaalsContact O-CB 3.3Å; M356-W360 WeakPolarHBondContact O-CB 3.47Å; M356-W360 PolarHBondContact O-N 3.12Å; S357-W360 PolarHBondContact O-N 3.12Å; V358-W360 VanDerWaalsContact C-N 3.35Å; W360-V364 HydrophobicContact CD2-CB 3.95Å; W360-V364 HydrophobicContact CD2-CG1 4.23Å; W360-V364 HydrophobicContact CD2-CG2 4.17Å; W360-V364 HydrophobicContact CE3-CB 4.15Å; W360-V364 HydrophobicContact CE3-CG1 4.32Å; W360-V364 HydrophobicContact CE3-CG2 3.91Å; W360-V364 HydrophobicContact CG-CB 4.32Å; W360-V364 HydrophobicContact CH2-CB 4.5Å; W360-V364 HydrophobicContact CH2-CG1 3.79Å; W360-V364 HydrophobicContact CZ2-CB 4.35Å; W360-V364 HydrophobicContact CZ2-CG1 3.71Å; W360-V364 HydrophobicContact CZ3-CB 4.43Å; W360-V364 HydrophobicContact CZ3-CG1 4.12Å; W360-V364 HydrophobicContact CZ3-CG2 4.18Å; W360-V364 CarbonylContact O-C 3.6Å; W360-V364 WeakPolarHBondContact O-CA 3.49Å; W360-V364 WeakPolarHBondContact O-CB 3.25Å; W360-V364 PolarHBondContact O-N 3.49Å; W360-H365 PolarHBondContact O-N 3.42Å; W360-E371 HydrophobicContact CH2-CB 4.24Å; W360-E371 HydrophobicContact CZ3-CB 4.27Å; W360-F374 HydrophobicContact CB-CD2 4.46Å; W360-F374 HydrophobicContact CB-CE2 3.9Å; W360-F374 HydrophobicContact CB-CZ 4.34Å; W360-F374 AromaticContact CE3-CD1 3.91Å; W360-F374 HydrophobicContact CE3-CD1 3.91Å; W360-F374 HydrophobicContact CE3-CD2 4.13Å; W360-F374 AromaticContact CE3-CE1 3.94Å; W360-F374 HydrophobicContact CE3-CE1 3.94Å; W360-F374 HydrophobicContact CE3-CE2 4.17Å; W360-F374 HydrophobicContact CE3-CG 4Å; W360-F374 HydrophobicContact CE3-CZ 4.07Å; W360-F374 HydrophobicContact CZ3-CD1 4.11Å; W360-F374 HydrophobicContact CZ3-CE1 4.42Å; W360-F374 HydrophobicContact CZ3-CG 4.37Å; W360-W406 HydrophobicContact CB-CH2 4.43Å; W360-W406 HydrophobicContact CB-CZ2 3.66Å; W360-W406 AromaticContact CD2-CE2 3.85Å; W360-W406 AromaticContact CD2-CZ2 3.85Å; W360-W406 HydrophobicContact CD2-CZ2 3.85Å; W360-W406 AromaticContact CD2-NE1 3.35Å; W360-W406 VanDerWaalsContact CD2-NE1 3.35Å; W360-W406 AromaticContact CE2-NE1 3.58Å; W360-W406 AromaticContact CE3-CE2 3.83Å; W360-W406 HydrophobicContact CE3-CZ2 4.04Å; W360-W406 AromaticContact CE3-NE1 3.34Å; W360-W406 VanDerWaalsContact CE3-NE1 3.34Å; W360-W406 AromaticContact CG-CZ2 3.68Å; W360-W406 HydrophobicContact CG-CZ2 3.68Å; W360-W406 AromaticContact CH2-NE1 3.88Å; W360-W406 AromaticContact CZ2-NE1 3.86Å; W360-W406 AromaticContact CZ3-NE1 3.61Å; W360-P408 HydrophobicContact CH2-CB 3.97Å; W360-P408 HydrophobicContact CZ2-CB 3.37Å; W360-H434 VanDerWaalsContact CD1-C 3.46Å |
| 361 | E | 98.9 | Very high | 98.8 | Very high | 33 Ų | 33 | 27.5 Ų | 27.5 | 15% | 0.154 | 16% | 0.155 | C | C | . | . | I | π-helix | trans | -60.1 | -51.3 | 179.3 | 176.7 | 58.6 | -149.3 | 0 | 0 | 111.2 | S357 V358 H365 S366 C433 H434 | S357-E361 VanDerWaalsContact O-CB 3.27Å; S357-E361 WeakPolarHBondContact O-CB 3.28Å; S357-E361 PolarHBondContact O-N 2.79Å; V358-E361 PolarHBondContact O-N 3.01Å; E361-H365 IonicContact OE1-CD2 2.89Å; E361-H365 PolarHBondContact OE1-CD2 2.67Å; E361-H365 IonicContact OE2-CD2 3.08Å; E361-H365 IonicContact OE2-CG 2.73Å; E361-S366 PolarHBondContact O-N 3.18Å; E361-C433 HydrophobicContact CB-CB 4.02Å; E361-C433 HydrophobicContact CG-CB 4.44Å; E361-C433 WeakPolarHBondContact OE2-CA 3.35Å; E361-H434 IonicContact OE1-ND1 3.52Å; E361-H434 IonicContact OE2-CE1 2.85Å; E361-H434 IonicContact OE2-CG 3.97Å; E361-H434 PolarHBondContact OE2-N 2.9Å; E361-H434 IonicContact OE2-ND1 3.6Å; E361-H434 PolarHBondContact OE2-ND1 3.22Å |
| 362 | K | 98.8 | Very high | 98.8 | Very high | 78 Ų | 78 | 28.7 Ų | 28.7 | 34% | 0.339 | 16% | 0.161 | S | C | . | . | I | π-helix | trans | -79.7 | -22.5 | -174.1 | -60.9 | -61.6 | -174 | -176.3 | 0 | 113.5 | M312 V358 S366 | M312-K362 HydrophobicContact CE-CB 3.64Å; V358-K362 HydrophobicContact CG1-CG 4.42Å; V358-K362 VanDerWaalsContact O-CB 3.31Å; V358-K362 WeakPolarHBondContact O-CB 3.42Å; V358-K362 VanDerWaalsContact O-CG 3.29Å; V358-K362 WeakPolarHBondContact O-CG 3.48Å; V358-K362 PolarHBondContact O-N 2.73Å; K362-S366 VanDerWaalsContact C-OG 3.28Å; K362-S366 WeakPolarHBondContact O-CB 3.45Å; K362-S366 PolarHBondContact O-OG 3.11Å |
| 363 | G | 98.8 | Very high | 98.8 | Very high | 0 Ų | 0 | 30.6 Ų | 30.6 | 0% | 0 | 17% | 0.168 | C | C | . | . | I | π-helix | trans | -107.1 | -56.2 | -176.5 | 0 | 0 | 0 | 0 | 0 | 114.1 | I359 S366 K368 M369 | I359-G363 VanDerWaalsContact O-CA 3.26Å; I359-G363 WeakPolarHBondContact O-CA 3.3Å; I359-G363 PolarHBondContact O-N 3.16Å; G363-S366 PolarHBondContact O-OG 2.99Å; G363-K368 WeakPolarHBondContact O-CB 3.23Å; G363-K368 PolarHBondContact O-N 2.97Å; G363-M369 PolarHBondContact O-N 2.69Å |
| 364 | V | 98.9 | Very high | 98.8 | Very high | 21 Ų | 21 | 30.3 Ų | 30.3 | 13% | 0.127 | 17% | 0.167 | C | C | . | . | I | π-helix | trans | -82.9 | -54.1 | -174.1 | -177.3 | 0 | 0 | 0 | 0 | 111.5 | W360 S366 G367 M369 F374 | W360-V364 HydrophobicContact CD2-CB 3.95Å; W360-V364 HydrophobicContact CD2-CG1 4.23Å; W360-V364 HydrophobicContact CD2-CG2 4.17Å; W360-V364 HydrophobicContact CE3-CB 4.15Å; W360-V364 HydrophobicContact CE3-CG1 4.32Å; W360-V364 HydrophobicContact CE3-CG2 3.91Å; W360-V364 HydrophobicContact CG-CB 4.32Å; W360-V364 HydrophobicContact CH2-CB 4.5Å; W360-V364 HydrophobicContact CH2-CG1 3.79Å; W360-V364 HydrophobicContact CZ2-CB 4.35Å; W360-V364 HydrophobicContact CZ2-CG1 3.71Å; W360-V364 HydrophobicContact CZ3-CB 4.43Å; W360-V364 HydrophobicContact CZ3-CG1 4.12Å; W360-V364 HydrophobicContact CZ3-CG2 4.18Å; W360-V364 CarbonylContact O-C 3.6Å; W360-V364 WeakPolarHBondContact O-CA 3.49Å; W360-V364 WeakPolarHBondContact O-CB 3.25Å; W360-V364 PolarHBondContact O-N 3.49Å; V364-S366 PolarHBondContact O-N 3.12Å; V364-G367 PolarHBondContact O-N 3.07Å; V364-M369 WeakPolarHBondContact CA-O 3.31Å; V364-M369 HydrophobicContact CG2-CG 4.05Å; V364-F374 HydrophobicContact CG2-CB 3.62Å; V364-F374 HydrophobicContact CG2-CD2 4.01Å; V364-F374 HydrophobicContact CG2-CG 4.02Å |
| 365 | H | 98.7 | Very high | 98.8 | Very high | 98 Ų | 98 | 30.3 Ų | 30.3 | 45% | 0.454 | 17% | 0.167 | S | C | . | . | I | π-helix | trans | -62.1 | -34.1 | -178.5 | -178.2 | 68.6 | 0 | 0 | 0 | 112.1 | W360 E361 G367 H434 | W360-H365 PolarHBondContact O-N 3.42Å; E361-H365 IonicContact OE1-CD2 2.89Å; E361-H365 PolarHBondContact OE1-CD2 2.67Å; E361-H365 IonicContact OE2-CD2 3.08Å; E361-H365 IonicContact OE2-CG 2.73Å; H365-G367 VanDerWaalsContact C-N 3.25Å; H365-G367 PolarHBondContact O-N 3.36Å; H365-H434 HydrophobicContact CB-CB 4.44Å; H365-H434 AromaticContact CD2-CE1 3.88Å; H365-H434 AromaticContact CD2-ND1 3.44Å; H365-H434 PolarHBondContact CD2-ND1 3.3Å; H365-H434 AromaticContact CE1-CD2 3.92Å; H365-H434 AromaticContact CE1-CE1 3.5Å; H365-H434 PolarHBondContact CE1-CE1 3.42Å; H365-H434 VanDerWaalsContact CE1-CE1 3.5Å; H365-H434 AromaticContact CE1-CG 3.76Å; H365-H434 AromaticContact CE1-ND1 3.5Å; H365-H434 PolarHBondContact CE1-ND1 2.91Å; H365-H434 AromaticContact CE1-NE2 3.78Å; H365-H434 AromaticContact CG-CG 3.98Å; H365-H434 AromaticContact CG-ND1 3.7Å; H365-H434 AromaticContact ND1-CG 3.72Å; H365-H434 AromaticContact ND1-ND1 3.73Å; H365-H434 AromaticContact NE2-CE1 3.3Å; H365-H434 PolarHBondContact NE2-CE1 2.92Å; H365-H434 VanDerWaalsContact NE2-CE1 3.3Å; H365-H434 AromaticContact NE2-ND1 3.34Å; H365-H434 PolarHBondContact NE2-ND1 3.48Å |
| 366 | S | 98.4 | Very high | 98.8 | Very high | 64 Ų | 64 | 30.6 Ų | 30.6 | 45% | 0.448 | 17% | 0.169 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -73.7 | -9.7 | 175 | 71.5 | 0 | 0 | 0 | 0 | 114.7 | E361 K362 G363 V364 | E361-S366 PolarHBondContact O-N 3.18Å; K362-S366 VanDerWaalsContact C-OG 3.28Å; K362-S366 WeakPolarHBondContact O-CB 3.45Å; K362-S366 PolarHBondContact O-OG 3.11Å; G363-S366 PolarHBondContact O-OG 2.99Å; V364-S366 PolarHBondContact O-N 3.12Å |
| 367 | G | 98.5 | Very high | 98.8 | Very high | 65 Ų | 65 | 30.7 Ų | 30.7 | 67% | 0.67 | 17% | 0.17 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 79.6 | 15.2 | -179.9 | 0 | 0 | 0 | 0 | 0 | 115.4 | V364 H365 | V364-G367 PolarHBondContact O-N 3.07Å; H365-G367 VanDerWaalsContact C-N 3.25Å; H365-G367 PolarHBondContact O-N 3.36Å |
| 368 | K | 98.7 | Very high | 98.8 | Very high | 54 Ų | 54 | 30.7 Ų | 30.7 | 24% | 0.235 | 17% | 0.17 | C | C | . | . | S | Bend | trans | -77.2 | -33.6 | 176.6 | -68.2 | 179.2 | -177.6 | -62.5 | 0 | 113.1 | D309 M312 N313 A316 G363 | D309-K368 WeakPolarHBondContact OD1-CE 3.5Å; D309-K368 IonicContact OD1-NZ 3.46Å; D309-K368 PolarHBondContact OD1-NZ 2.67Å; D309-K368 IonicContact OD2-NZ 3.37Å; D309-K368 PolarHBondContact OD2-NZ 3.4Å; M312-K368 HydrophobicContact CB-CD 3.9Å; M312-K368 HydrophobicContact CG-CB 4.49Å; M312-K368 HydrophobicContact CG-CD 3.54Å; N313-K368 WeakPolarHBondContact OD1-CD 3.37Å; N313-K368 PolarHBondContact OD1-NZ 3.16Å; A316-K368 VanDerWaalsContact CB-O 3.3Å; A316-K368 WeakPolarHBondContact CB-O 3.25Å; G363-K368 WeakPolarHBondContact O-CB 3.23Å; G363-K368 PolarHBondContact O-N 2.97Å |
| 369 | M | 98.6 | Very high | 98.8 | Very high | 15 Ų | 15 | 30.7 Ų | 30.7 | 7% | 0.074 | 17% | 0.17 | C | C | . | . | S | Bend | trans | -141.9 | 159.2 | 177 | 73.9 | 179.9 | 68.5 | 0 | 0 | 110.8 | M312 L315 A316 G363 V364 R373 F374 V377 | M312-M369 HydrophobicContact CG-CE 4.38Å; M312-M369 HydrophobicContact SD-CE 3.51Å; M312-M369 VanDerWaalsContact SD-CE 3.51Å; L315-M369 HydrophobicContact CB-CE 4.36Å; L315-M369 HydrophobicContact CD2-CE 4.18Å; L315-M369 HydrophobicContact CG-CE 4.16Å; A316-M369 HydrophobicContact CB-CB 3.96Å; A316-M369 HydrophobicContact CB-CE 4.05Å; G363-M369 PolarHBondContact O-N 2.69Å; V364-M369 WeakPolarHBondContact CA-O 3.31Å; V364-M369 HydrophobicContact CG2-CG 4.05Å; M369-R373 HydrophobicContact CB-CB 3.91Å; M369-R373 HydrophobicContact CB-CG 3.79Å; M369-R373 HydrophobicContact CG-CB 4.39Å; M369-R373 HydrophobicContact CG-CG 4.33Å; M369-R373 HydrophobicContact SD-CB 4.35Å; M369-R373 HydrophobicContact SD-CG 3.9Å; M369-F374 HydrophobicContact SD-CB 4.47Å; M369-V377 HydrophobicContact SD-CG2 4.14Å |
| 370 | D | 98.8 | Very high | 98.8 | Very high | 84 Ų | 84 | 30.7 Ų | 30.7 | 45% | 0.449 | 17% | 0.17 | S | C | . | . | trans | -88.3 | 177 | 174.6 | 58.8 | 28.3 | 0 | 0 | 0 | 112.2 | N372 R373 F374 | D370-N372 PolarHBondContact O-N 2.85Å; D370-N372 PolarHBondContact OD1-N 2.92Å; D370-N372 VanDerWaalsContact OD1-N 3.16Å; D370-R373 PolarHBondContact O-N 2.81Å; D370-R373 WeakPolarHBondContact OD1-CB 3.47Å; D370-R373 PolarHBondContact OD1-N 2.79Å; D370-F374 PolarHBondContact O-N 2.91Å | ||
| 371 | E | 98.8 | Very high | 98.8 | Very high | 46 Ų | 46 | 30.4 Ų | 30.4 | 22% | 0.215 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -63.3 | -26.8 | 178.1 | 65.3 | -100.5 | -147.3 | 0 | 0 | 113.6 | R13 V15 L58 W360 F374 V375 | R13-E371 IonicContact NH1-OE1 3.93Å; V15-E371 HydrophobicContact CB-CG 4.44Å; V15-E371 HydrophobicContact CG1-CB 3.94Å; V15-E371 HydrophobicContact CG1-CG 3.53Å; V15-E371 HydrophobicContact CG2-CG 4.01Å; L58-E371 HydrophobicContact CD1-CB 4.29Å; W360-E371 HydrophobicContact CH2-CB 4.24Å; W360-E371 HydrophobicContact CZ3-CB 4.27Å; E371-F374 WeakPolarHBondContact O-CB 3.43Å; E371-V375 WeakPolarHBondContact O-CG2 3.36Å; E371-V375 PolarHBondContact O-N 3.46Å; E371-V375 VanDerWaalsContact O-N 3.12Å |
| 372 | N | 98.9 | Very high | 98.8 | Very high | 25 Ų | 25 | 28.9 Ų | 28.9 | 13% | 0.134 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -74.5 | -44.5 | -179.1 | -60.6 | 101.9 | 0 | 0 | 0 | 110.4 | N16 D17 F19 S20 D370 F374 V375 A376 | N16-N372 WeakPolarHBondContact O-CA 3.39Å; N16-N372 PolarHBondContact O-ND2 3.35Å; D17-N372 WeakPolarHBondContact CA-O 3.42Å; F19-N372 PolarHBondContact O-ND2 3.06Å; S20-N372 PolarHBondContact OG-ND2 3.29Å; S20-N372 PolarHBondContact OG-OD1 2.8Å; D370-N372 PolarHBondContact O-N 2.85Å; D370-N372 PolarHBondContact OD1-N 2.92Å; D370-N372 VanDerWaalsContact OD1-N 3.16Å; N372-F374 VanDerWaalsContact C-N 3.29Å; N372-F374 PolarHBondContact O-N 2.87Å; N372-V375 PolarHBondContact O-N 3.44Å; N372-A376 PolarHBondContact O-N 3.41Å |
| 373 | R | 98.9 | Very high | 98.8 | Very high | 39 Ų | 39 | 25.2 Ų | 25.2 | 15% | 0.147 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -64.2 | -35.7 | 172.8 | -177.4 | 62.9 | -172 | 169 | 5.3 | 111.6 | L315 A316 D318 L320 M369 D370 V375 A376 V377 | L315-R373 VanDerWaalsContact O-CZ 3.23Å; L315-R373 PolarHBondContact O-NE 2.88Å; L315-R373 PolarHBondContact O-NH2 2.82Å; A316-R373 PolarHBondContact O-NE 2.78Å; D318-R373 IonicContact OD1-CZ 2.94Å; D318-R373 IonicContact OD1-NH1 3.19Å; D318-R373 PolarHBondContact OD1-NH1 3.38Å; D318-R373 IonicContact OD1-NH2 3.13Å; D318-R373 PolarHBondContact OD1-NH2 2.93Å; L320-R373 PolarHBondContact O-NH2 3.13Å; L320-R373 VanDerWaalsContact O-NH2 3.16Å; M369-R373 HydrophobicContact CB-CB 3.91Å; M369-R373 HydrophobicContact CB-CG 3.79Å; M369-R373 HydrophobicContact CG-CB 4.39Å; M369-R373 HydrophobicContact CG-CG 4.33Å; M369-R373 HydrophobicContact SD-CB 4.35Å; M369-R373 HydrophobicContact SD-CG 3.9Å; D370-R373 PolarHBondContact O-N 2.81Å; D370-R373 WeakPolarHBondContact OD1-CB 3.47Å; D370-R373 PolarHBondContact OD1-N 2.79Å; R373-V375 PolarHBondContact O-N 3.22Å; R373-A376 WeakPolarHBondContact O-CB 3.33Å; R373-A376 PolarHBondContact O-N 3.01Å; R373-A376 VanDerWaalsContact O-N 3.16Å; R373-V377 HydrophobicContact CG-CG1 4.46Å; R373-V377 VanDerWaalsContact CZ-CG1 3.44Å; R373-V377 WeakPolarHBondContact O-CG2 3.23Å; R373-V377 PolarHBondContact O-N 3.25Å |
| 374 | F | 98.9 | Very high | 98.8 | Very high | 0 Ų | 0 | 27.1 Ų | 27.1 | 0% | 0 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -56.7 | -48.3 | 171.3 | 173.7 | -96.7 | 0 | 0 | 0 | 111.9 | L60 M356 I359 W360 V364 M369 D370 E371 N372 A376 V377 T378 W406 | L60-F374 HydrophobicContact CD1-CD1 4.18Å; L60-F374 HydrophobicContact CD1-CE1 3.75Å; M356-F374 HydrophobicContact CB-CZ 4.29Å; M356-F374 HydrophobicContact CE-CE1 3.72Å; M356-F374 HydrophobicContact CE-CZ 3.65Å; M356-F374 WeakPolarHBondContact O-CE2 3.49Å; M356-F374 HydrophobicContact SD-CZ 4.17Å; I359-F374 HydrophobicContact CB-CD2 4.49Å; I359-F374 HydrophobicContact CB-CE2 4.11Å; I359-F374 HydrophobicContact CG2-CD2 3.9Å; I359-F374 HydrophobicContact CG2-CE2 4.01Å; W360-F374 HydrophobicContact CB-CD2 4.46Å; W360-F374 HydrophobicContact CB-CE2 3.9Å; W360-F374 HydrophobicContact CB-CZ 4.34Å; W360-F374 AromaticContact CE3-CD1 3.91Å; W360-F374 HydrophobicContact CE3-CD1 3.91Å; W360-F374 HydrophobicContact CE3-CD2 4.13Å; W360-F374 AromaticContact CE3-CE1 3.94Å; W360-F374 HydrophobicContact CE3-CE1 3.94Å; W360-F374 HydrophobicContact CE3-CE2 4.17Å; W360-F374 HydrophobicContact CE3-CG 4Å; W360-F374 HydrophobicContact CE3-CZ 4.07Å; W360-F374 HydrophobicContact CZ3-CD1 4.11Å; W360-F374 HydrophobicContact CZ3-CE1 4.42Å; W360-F374 HydrophobicContact CZ3-CG 4.37Å; V364-F374 HydrophobicContact CG2-CB 3.62Å; V364-F374 HydrophobicContact CG2-CD2 4.01Å; V364-F374 HydrophobicContact CG2-CG 4.02Å; M369-F374 HydrophobicContact SD-CB 4.47Å; D370-F374 PolarHBondContact O-N 2.91Å; E371-F374 WeakPolarHBondContact O-CB 3.43Å; N372-F374 VanDerWaalsContact C-N 3.29Å; N372-F374 PolarHBondContact O-N 2.87Å; F374-A376 VanDerWaalsContact C-N 3.29Å; F374-A376 PolarHBondContact O-N 3.03Å; F374-V377 PolarHBondContact O-N 3.07Å; F374-T378 HydrophobicContact CD2-CG2 3.99Å; F374-T378 HydrophobicContact CE1-CG2 4.48Å; F374-T378 HydrophobicContact CE2-CG2 3.73Å; F374-T378 HydrophobicContact CG-CG2 4.48Å; F374-T378 HydrophobicContact CZ-CG2 4Å; F374-T378 WeakPolarHBondContact O-CB 3.38Å; F374-T378 WeakPolarHBondContact O-CG2 3.22Å; F374-T378 PolarHBondContact O-N 3.17Å; F374-T378 PolarHBondContact O-OG1 3.17Å; F374-W406 HydrophobicContact CZ-CZ2 4.49Å |
| 375 | V | 98.9 | Very high | 98.8 | Very high | 1 Ų | 1 | 26.1 Ų | 26.1 | 1% | 0.006 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -60.5 | -40.2 | 174.9 | 170.3 | 0 | 0 | 0 | 0 | 111.4 | V15 L60 P61 E371 N372 R373 V377 S379 T380 | V15-V375 HydrophobicContact CB-CG2 4.34Å; V15-V375 HydrophobicContact CG1-CG2 3.83Å; L60-V375 HydrophobicContact CB-CG2 4.43Å; L60-V375 HydrophobicContact CD2-CG2 3.98Å; P61-V375 HydrophobicContact CG-CG1 3.79Å; E371-V375 WeakPolarHBondContact O-CG2 3.36Å; E371-V375 PolarHBondContact O-N 3.46Å; E371-V375 VanDerWaalsContact O-N 3.12Å; N372-V375 PolarHBondContact O-N 3.44Å; R373-V375 PolarHBondContact O-N 3.22Å; V375-V377 PolarHBondContact O-N 2.92Å; V375-S379 PolarHBondContact O-N 3.08Å; V375-T380 PolarHBondContact O-N 3.08Å; V375-T380 VanDerWaalsContact O-N 3.07Å |
| 376 | A | 98.9 | Very high | 98.8 | Very high | 6 Ų | 6 | 21.5 Ų | 21.5 | 5% | 0.05 | 13% | 0.127 | C | C | . | . | I | π-helix | trans | -58.3 | -51 | 178.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | D17 N372 R373 F374 T380 N381 | D17-A376 HydrophobicContact CB-CB 3.89Å; N372-A376 PolarHBondContact O-N 3.41Å; R373-A376 WeakPolarHBondContact O-CB 3.33Å; R373-A376 PolarHBondContact O-N 3.01Å; R373-A376 VanDerWaalsContact O-N 3.16Å; F374-A376 VanDerWaalsContact C-N 3.29Å; F374-A376 PolarHBondContact O-N 3.03Å; A376-T380 PolarHBondContact O-N 3.02Å; A376-N381 WeakPolarHBondContact O-CB 3.43Å; A376-N381 VanDerWaalsContact O-CG 3.23Å; A376-N381 PolarHBondContact O-N 3.04Å; A376-N381 PolarHBondContact O-ND2 3.16Å |
| 377 | V | 98.9 | Very high | 98.9 | Very high | 1 Ų | 1 | 21 Ų | 21 | 1% | 0.006 | 12% | 0.119 | C | C | . | . | I | π-helix | trans | -83.5 | -16.3 | -172.2 | -57.7 | 0 | 0 | 0 | 0 | 114.3 | L315 T322 T323 I359 M369 R373 F374 V375 | L315-V377 HydrophobicContact CD1-CB 3.82Å; L315-V377 HydrophobicContact CD1-CG1 3.7Å; L315-V377 HydrophobicContact CD1-CG2 4.44Å; L315-V377 HydrophobicContact CD2-CB 4.26Å; L315-V377 HydrophobicContact CD2-CG2 3.99Å; L315-V377 HydrophobicContact CG-CB 4.03Å; L315-V377 HydrophobicContact CG-CG1 3.88Å; L315-V377 HydrophobicContact CG-CG2 4.15Å; T322-V377 CarbonylContact C-O 3.48Å; T323-V377 PolarHBondContact N-O 3.19Å; T323-V377 PolarHBondContact OG1-O 2.92Å; I359-V377 HydrophobicContact CG2-CG2 4.47Å; M369-V377 HydrophobicContact SD-CG2 4.14Å; R373-V377 HydrophobicContact CG-CG1 4.46Å; R373-V377 VanDerWaalsContact CZ-CG1 3.44Å; R373-V377 WeakPolarHBondContact O-CG2 3.23Å; R373-V377 PolarHBondContact O-N 3.25Å; F374-V377 PolarHBondContact O-N 3.07Å; V375-V377 PolarHBondContact O-N 2.92Å |
| 378 | T | 98.9 | Very high | 98.9 | Very high | 1 Ų | 1 | 18.3 Ų | 18.3 | 1% | 0.006 | 9% | 0.09 | C | C | . | . | I | π-helix | trans | -101.1 | -15.7 | 179.1 | 60.2 | 0 | 0 | 0 | 0 | 114.1 | I64 R355 M356 I359 F374 | I64-T378 PolarHBondContact N-O 3.32Å; R355-T378 PolarHBondContact NH1-O 2.7Å; R355-T378 PolarHBondContact NH2-O 3.49Å; M356-T378 HydrophobicContact CE-CG2 4.49Å; M356-T378 VanDerWaalsContact SD-CB 3.58Å; M356-T378 HydrophobicContact SD-CG2 3.82Å; I359-T378 HydrophobicContact CD1-CG2 3.93Å; I359-T378 HydrophobicContact CG2-CG2 4.29Å; F374-T378 HydrophobicContact CD2-CG2 3.99Å; F374-T378 HydrophobicContact CE1-CG2 4.48Å; F374-T378 HydrophobicContact CE2-CG2 3.73Å; F374-T378 HydrophobicContact CG-CG2 4.48Å; F374-T378 HydrophobicContact CZ-CG2 4Å; F374-T378 WeakPolarHBondContact O-CB 3.38Å; F374-T378 WeakPolarHBondContact O-CG2 3.22Å; F374-T378 PolarHBondContact O-N 3.17Å; F374-T378 PolarHBondContact O-OG1 3.17Å |
| 379 | S | 98.9 | Very high | 98.9 | Very high | 0 Ų | 0 | 19.6 Ų | 19.6 | 0% | 0 | 9% | 0.094 | C | C | . | . | I | π-helix | trans | -148.7 | -61.4 | -177 | -162.5 | 0 | 0 | 0 | 0 | 113.5 | G62 V375 N381 A382 A383 G393 | G62-S379 WeakPolarHBondContact O-CB 3.49Å; G62-S379 PolarHBondContact O-OG 3.31Å; V375-S379 PolarHBondContact O-N 3.08Å; S379-N381 PolarHBondContact O-N 3.4Å; S379-A382 WeakPolarHBondContact O-CB 3.48Å; S379-A382 PolarHBondContact O-N 2.99Å; S379-A383 PolarHBondContact O-N 3.05Å; S379-G393 WeakPolarHBondContact OG-CA 3.12Å |
| 380 | T | 98.9 | Very high | 98.9 | Very high | 0 Ų | 0 | 22 Ų | 22 | 0% | 0 | 11% | 0.111 | C | C | . | . | I | π-helix | trans | -63.7 | -42.3 | -166 | -50.8 | 0 | 0 | 0 | 0 | 114 | D17 V375 A376 A383 K384 Y389 G393 | D17-T380 HydrophobicContact CB-CG2 4.09Å; D17-T380 WeakPolarHBondContact OD2-CG2 3.01Å; V375-T380 PolarHBondContact O-N 3.08Å; V375-T380 VanDerWaalsContact O-N 3.07Å; A376-T380 PolarHBondContact O-N 3.02Å; T380-A383 PolarHBondContact O-N 3.36Å; T380-K384 HydrophobicContact CG2-CD 4.04Å; T380-K384 VanDerWaalsContact CG2-CE 3.45Å; T380-K384 HydrophobicContact CG2-CG 4.39Å; T380-K384 WeakPolarHBondContact O-CG 3.5Å; T380-K384 PolarHBondContact O-N 3.21Å; T380-Y389 HydrophobicContact CG2-CD2 3.77Å; T380-Y389 HydrophobicContact CG2-CE2 3.6Å; T380-G393 WeakPolarHBondContact CB-O 3.42Å; T380-G393 PolarHBondContact OG1-O 2.75Å |
| 381 | N | 98.9 | Very high | 98.9 | Very high | 7 Ų | 7 | 22.6 Ų | 22.6 | 4% | 0.037 | 11% | 0.107 | C | C | . | . | H | α-helix | trans | -66.8 | -39.2 | -179.8 | -70.5 | -14.6 | 0 | 0 | 0 | 111.4 | T321 T322 A376 S379 A383 K384 I385 | T321-N381 WeakPolarHBondContact O-CB 3.23Å; T321-N381 PolarHBondContact O-ND2 3.08Å; T322-N381 HydrophobicContact CG2-CB 3.83Å; A376-N381 WeakPolarHBondContact O-CB 3.43Å; A376-N381 VanDerWaalsContact O-CG 3.23Å; A376-N381 PolarHBondContact O-N 3.04Å; A376-N381 PolarHBondContact O-ND2 3.16Å; S379-N381 PolarHBondContact O-N 3.4Å; N381-A383 VanDerWaalsContact C-N 3.34Å; N381-K384 PolarHBondContact O-N 3.29Å; N381-I385 WeakPolarHBondContact O-CB 3.49Å; N381-I385 VanDerWaalsContact O-CG1 3.24Å; N381-I385 WeakPolarHBondContact O-CG1 3.47Å; N381-I385 PolarHBondContact O-N 2.7Å |
| 382 | A | 98.9 | Very high | 98.9 | Very high | 2 Ų | 2 | 20.7 Ų | 20.7 | 2% | 0.017 | 10% | 0.098 | C | C | . | . | H | α-helix | trans | -59.8 | -46.3 | 172.4 | 0 | 0 | 0 | 0 | 0 | 110.8 | I64 T66 T322 S379 K384 I385 F386 | I64-A382 HydrophobicContact CB-CB 4.05Å; I64-A382 HydrophobicContact CG2-CB 3.95Å; T66-A382 HydrophobicContact CG2-CB 3.34Å; T322-A382 HydrophobicContact CG2-CB 4.31Å; S379-A382 WeakPolarHBondContact O-CB 3.48Å; S379-A382 PolarHBondContact O-N 2.99Å; A382-K384 VanDerWaalsContact C-N 3.34Å; A382-K384 PolarHBondContact O-N 2.99Å; A382-I385 PolarHBondContact O-N 3.12Å; A382-F386 HydrophobicContact CB-CD2 4.48Å; A382-F386 WeakPolarHBondContact O-CB 3.47Å; A382-F386 VanDerWaalsContact O-CD2 3.28Å; A382-F386 WeakPolarHBondContact O-CD2 3.5Å; A382-F386 PolarHBondContact O-N 3.29Å |
| 383 | A | 98.9 | Very high | 98.9 | Very high | 0 Ų | 0 | 19.7 Ų | 19.7 | 0% | 0 | 9% | 0.094 | C | C | . | . | H | α-helix | trans | -61.7 | -39.7 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | I64 S379 T380 N381 N387 L388 Y389 K392 | I64-A383 HydrophobicContact CD1-CB 3.82Å; S379-A383 PolarHBondContact O-N 3.05Å; T380-A383 PolarHBondContact O-N 3.36Å; N381-A383 VanDerWaalsContact C-N 3.34Å; A383-N387 PolarHBondContact O-N 2.88Å; A383-N387 VanDerWaalsContact O-N 3.11Å; A383-L388 HydrophobicContact CB-CB 4.14Å; A383-L388 PolarHBondContact O-N 3.23Å; A383-Y389 PolarHBondContact O-N 3.48Å; A383-Y389 VanDerWaalsContact O-N 3.1Å; A383-K392 VanDerWaalsContact CB-O 3.27Å; A383-K392 WeakPolarHBondContact CB-O 3.39Å |
| 384 | K | 98.9 | Very high | 98.9 | Very high | 40 Ų | 40 | 19.9 Ų | 19.9 | 17% | 0.174 | 9% | 0.094 | C | C | . | . | H | α-helix | trans | -68.1 | -46.1 | 177.1 | -72.4 | 170.9 | -178.4 | 162.5 | 0 | 112 | D17 T380 N381 A382 N387 Y389 Y471 | D17-K384 IonicContact OD2-NZ 3.4Å; D17-K384 PolarHBondContact OD2-NZ 3.1Å; T380-K384 HydrophobicContact CG2-CD 4.04Å; T380-K384 VanDerWaalsContact CG2-CE 3.45Å; T380-K384 HydrophobicContact CG2-CG 4.39Å; T380-K384 WeakPolarHBondContact O-CG 3.5Å; T380-K384 PolarHBondContact O-N 3.21Å; N381-K384 PolarHBondContact O-N 3.29Å; A382-K384 VanDerWaalsContact C-N 3.34Å; A382-K384 PolarHBondContact O-N 2.99Å; K384-N387 PolarHBondContact O-N 2.9Å; K384-Y389 HydrophobicContact CG-CD1 4.09Å; K384-Y389 HydrophobicContact CG-CD2 4.08Å; K384-Y389 HydrophobicContact CG-CG 3.71Å; K384-Y471 HydrophobicContact CB-CD1 3.76Å; K384-Y471 HydrophobicContact CB-CD2 4.02Å; K384-Y471 HydrophobicContact CB-CE1 4.15Å; K384-Y471 HydrophobicContact CB-CE2 4.4Å; K384-Y471 HydrophobicContact CB-CG 3.68Å; K384-Y471 HydrophobicContact CD-CD2 4.08Å; K384-Y471 HydrophobicContact CD-CE2 4.01Å; K384-Y471 HydrophobicContact CG-CD2 4.41Å |
| 385 | I | 98.9 | Very high | 98.8 | Very high | 1 Ų | 1 | 20 Ų | 20 | 1% | 0.005 | 10% | 0.095 | C | C | . | . | H | α-helix | trans | -64.7 | -46.1 | -179.4 | -71.8 | 169.5 | 0 | 0 | 0 | 110.8 | I188 Y245 Y269 T322 N381 A382 N387 Y471 I472 | I188-I385 HydrophobicContact CD1-CG2 3.86Å; Y245-I385 HydrophobicContact CD2-CD1 4.45Å; Y245-I385 HydrophobicContact CD2-CG2 4.08Å; Y245-I385 HydrophobicContact CE2-CD1 4.13Å; Y245-I385 HydrophobicContact CE2-CG2 4.2Å; Y269-I385 HydrophobicContact CD1-CD1 3.57Å; Y269-I385 HydrophobicContact CD1-CG1 4.12Å; Y269-I385 HydrophobicContact CE1-CD1 4.04Å; Y269-I385 HydrophobicContact CE1-CG1 4.11Å; Y269-I385 HydrophobicContact CG-CD1 3.99Å; T322-I385 HydrophobicContact CG2-CD1 3.74Å; N381-I385 WeakPolarHBondContact O-CB 3.49Å; N381-I385 VanDerWaalsContact O-CG1 3.24Å; N381-I385 WeakPolarHBondContact O-CG1 3.47Å; N381-I385 PolarHBondContact O-N 2.7Å; A382-I385 PolarHBondContact O-N 3.12Å; I385-N387 VanDerWaalsContact C-N 3.31Å; I385-N387 PolarHBondContact O-N 3.45Å; I385-Y471 HydrophobicContact CG1-CD1 3.93Å; I385-Y471 HydrophobicContact CG1-CE1 3.73Å; I385-I472 HydrophobicContact CB-CD1 4.41Å; I385-I472 HydrophobicContact CG2-CD1 4.06Å; I385-I472 WeakPolarHBondContact O-CD1 3.5Å |
| 386 | F | 98.9 | Very high | 98.8 | Very high | 0 Ų | 0 | 21 Ų | 21 | 0% | 0 | 10% | 0.103 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -91.9 | 12.3 | -176.9 | -60.4 | -61.9 | 0 | 0 | 0 | 113.8 | T66 I99 H132 N156 I188 Y245 A382 L388 R465 | T66-F386 HydrophobicContact CG2-CD2 4.02Å; T66-F386 HydrophobicContact CG2-CE2 3.54Å; I99-F386 HydrophobicContact CD1-CB 4.17Å; I99-F386 HydrophobicContact CD1-CD2 3.65Å; I99-F386 HydrophobicContact CD1-CE2 4.25Å; I99-F386 HydrophobicContact CD1-CG 3.91Å; H132-F386 AromaticContact CE1-CD1 3.79Å; H132-F386 AromaticContact CE1-CE1 3.41Å; H132-F386 VanDerWaalsContact CE1-CE1 3.41Å; H132-F386 WeakPolarHBondContact CE1-CE1 3.43Å; H132-F386 AromaticContact CE1-CZ 3.64Å; N156-F386 PolarHBondContact ND2-O 2.91Å; I188-F386 HydrophobicContact CG2-CD1 4.24Å; I188-F386 HydrophobicContact CG2-CE1 3.87Å; Y245-F386 HydrophobicContact CD2-CZ 4.33Å; Y245-F386 HydrophobicContact CE2-CE2 4.29Å; Y245-F386 AromaticContact CE2-CZ 3.99Å; Y245-F386 HydrophobicContact CE2-CZ 3.99Å; A382-F386 HydrophobicContact CB-CD2 4.48Å; A382-F386 WeakPolarHBondContact O-CB 3.47Å; A382-F386 VanDerWaalsContact O-CD2 3.28Å; A382-F386 WeakPolarHBondContact O-CD2 3.5Å; A382-F386 PolarHBondContact O-N 3.29Å; F386-L388 HydrophobicContact CB-CD1 4.48Å; F386-R465 WeakPolarHBondContact O-CB 3.32Å; F386-R465 VanDerWaalsContact O-CD 3.32Å; F386-R465 WeakPolarHBondContact O-CD 3.18Å |
| 387 | N | 98.8 | Very high | 98.8 | Very high | 53 Ų | 53 | 25.4 Ų | 25.4 | 28% | 0.283 | 13% | 0.13 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 62.6 | 45.1 | 172.2 | -151.2 | 19.3 | 0 | 0 | 0 | 115.3 | A383 K384 I385 K466 P467 A469 | A383-N387 PolarHBondContact O-N 2.88Å; A383-N387 VanDerWaalsContact O-N 3.11Å; K384-N387 PolarHBondContact O-N 2.9Å; I385-N387 VanDerWaalsContact C-N 3.31Å; I385-N387 PolarHBondContact O-N 3.45Å; N387-K466 PolarHBondContact ND2-O 3.11Å; N387-P467 PolarHBondContact ND2-O 2.83Å; N387-A469 HydrophobicContact CB-CB 3.73Å |
| 388 | L | 98.8 | Very high | 98.8 | Very high | 9 Ų | 9 | 27.8 Ų | 27.8 | 5% | 0.047 | 15% | 0.154 | C | C | . | . | trans | -114.6 | -8.8 | 177.1 | -60.8 | 167.1 | 0 | 0 | 0 | 112.5 | M97 A383 F386 R391 K392 I463 R465 | M97-L388 HydrophobicContact CE-CD1 3.6Å; M97-L388 HydrophobicContact SD-CD1 3.66Å; A383-L388 HydrophobicContact CB-CB 4.14Å; A383-L388 PolarHBondContact O-N 3.23Å; F386-L388 HydrophobicContact CB-CD1 4.48Å; L388-R391 CarbonylContact O-C 3.5Å; L388-R391 WeakPolarHBondContact O-CA 3.27Å; L388-R391 VanDerWaalsContact O-CB 3.27Å; L388-R391 WeakPolarHBondContact O-CB 3.49Å; L388-R391 PolarHBondContact O-N 2.74Å; L388-K392 HydrophobicContact CB-CB 4.35Å; L388-K392 PolarHBondContact O-N 3.44Å; L388-I463 HydrophobicContact CD2-CB 4.46Å; L388-I463 HydrophobicContact CD2-CG2 3.44Å; L388-I463 VanDerWaalsContact CD2-CG2 3.44Å; L388-R465 HydrophobicContact CD2-CG 3.98Å; L388-R465 HydrophobicContact CG-CG 4.42Å | ||
| 389 | Y | 98.8 | Very high | 98.8 | Very high | 81 Ų | 81 | 27.9 Ų | 27.9 | 32% | 0.318 | 16% | 0.155 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -81.9 | 141.7 | -177.7 | -178.1 | -91.6 | 0 | 0 | 0 | 112.3 | T380 A383 K384 R394 | T380-Y389 HydrophobicContact CG2-CD2 3.77Å; T380-Y389 HydrophobicContact CG2-CE2 3.6Å; A383-Y389 PolarHBondContact O-N 3.48Å; A383-Y389 VanDerWaalsContact O-N 3.1Å; K384-Y389 HydrophobicContact CG-CD1 4.09Å; K384-Y389 HydrophobicContact CG-CD2 4.08Å; K384-Y389 HydrophobicContact CG-CG 3.71Å; Y389-R394 HydrophobicContact CE2-CB 3.93Å; Y389-R394 HydrophobicContact CE2-CG 4.43Å; Y389-R394 WeakPolarHBondContact OH-CD 3.48Å; Y389-R394 PolarHBondContact OH-NH1 3.01Å |
| 390 | P | 98.6 | Very high | 98.8 | Very high | 67 Ų | 67 | 29 Ų | 29 | 44% | 0.435 | 16% | 0.161 | S | C | . | . | T | Hydrogen-bonded Turn | cis | -90.1 | 10.5 | -2.2 | 37.4 | -36.3 | 0 | 0 | 0 | 113.6 | K392 R394 S399 | P390-K392 PolarHBondContact O-N 2.63Å; P390-R394 HydrophobicContact CB-CB 4.39Å; P390-S399 WeakPolarHBondContact O-CB 3.45Å; P390-S399 PolarHBondContact O-OG 2.99Å |
| 391 | R | 98.6 | Very high | 98.7 | Very high | 96 Ų | 96 | 29 Ų | 29 | 36% | 0.362 | 16% | 0.161 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -55.5 | -39.7 | 178.4 | 177.5 | -177.9 | 172.9 | -161.2 | -11.4 | 111.3 | L388 D400 | L388-R391 CarbonylContact O-C 3.5Å; L388-R391 WeakPolarHBondContact O-CA 3.27Å; L388-R391 VanDerWaalsContact O-CB 3.27Å; L388-R391 WeakPolarHBondContact O-CB 3.49Å; L388-R391 PolarHBondContact O-N 2.74Å; R391-D400 HydrophobicContact CG-CB 4.47Å; R391-D400 WeakPolarHBondContact CG-OD1 3.28Å; R391-D400 IonicContact CZ-OD1 3.63Å; R391-D400 IonicContact CZ-OD2 2.79Å; R391-D400 VanDerWaalsContact NE-CG 3.33Å; R391-D400 IonicContact NE-OD1 3.32Å; R391-D400 PolarHBondContact NE-OD1 2.97Å; R391-D400 IonicContact NE-OD2 2.96Å; R391-D400 PolarHBondContact NE-OD2 3.22Å; R391-D400 IonicContact NH2-OD1 3.05Å; R391-D400 IonicContact NH2-OD2 2.74Å; R391-D400 PolarHBondContact NH2-OD2 3.29Å; R391-D400 VanDerWaalsContact NH2-OD2 3.08Å; R391-D400 WeakPolarHBondContact O-CB 3.36Å; R391-D400 PolarHBondContact O-N 3.18Å |
| 392 | K | 98.9 | Very high | 98.7 | Very high | 5 Ų | 5 | 29.2 Ų | 29.2 | 2% | 0.022 | 16% | 0.162 | C | C | . | . | S | Bend | trans | -122 | 162.2 | 169.3 | -60.7 | -169.7 | -178.9 | -54.3 | 0 | 110.9 | I64 M97 D128 A383 L388 P390 R394 D400 D402 | I64-K392 HydrophobicContact CD1-CB 3.98Å; M97-K392 HydrophobicContact CB-CD 4.45Å; M97-K392 HydrophobicContact CG-CD 4.45Å; M97-K392 HydrophobicContact SD-CD 3.29Å; M97-K392 WeakPolarHBondContact SD-CD 3.43Å; M97-K392 VanDerWaalsContact SD-CE 3.52Å; D128-K392 IonicContact OD2-NZ 2.89Å; D128-K392 PolarHBondContact OD2-NZ 3.28Å; A383-K392 VanDerWaalsContact CB-O 3.27Å; A383-K392 WeakPolarHBondContact CB-O 3.39Å; L388-K392 HydrophobicContact CB-CB 4.35Å; L388-K392 PolarHBondContact O-N 3.44Å; P390-K392 PolarHBondContact O-N 2.63Å; K392-R394 VanDerWaalsContact C-N 3.3Å; K392-R394 PolarHBondContact O-N 2.93Å; K392-D400 IonicContact NZ-OD2 2.67Å; K392-D400 PolarHBondContact NZ-OD2 3.04Å; K392-D402 IonicContact NZ-OD2 3.66Å; K392-D402 PolarHBondContact NZ-OD2 2.93Å |
| 393 | G | 98.6 | Very high | 98.7 | Very high | 5 Ų | 5 | 29.2 Ų | 29.2 | 5% | 0.052 | 16% | 0.162 | C | C | . | . | S | Bend | trans | 71.3 | 22 | 178 | 0 | 0 | 0 | 0 | 0 | 115 | S379 T380 | S379-G393 WeakPolarHBondContact OG-CA 3.12Å; T380-G393 WeakPolarHBondContact CB-O 3.42Å; T380-G393 PolarHBondContact OG1-O 2.75Å |
| 394 | R | 98.8 | Very high | 98.7 | Very high | 42 Ų | 42 | 29.2 Ų | 29.2 | 16% | 0.158 | 16% | 0.162 | C | C | . | . | trans | -153.1 | 141.8 | 170.4 | -166.1 | 173.1 | -175.3 | 81.4 | 1.6 | 110.5 | N16 D17 D18 Y389 P390 K392 A396 S399 | N16-R394 WeakPolarHBondContact OD1-CA 3.46Å; N16-R394 WeakPolarHBondContact OD1-CG 3.31Å; D17-R394 IonicContact OD1-NH1 3.02Å; D17-R394 PolarHBondContact OD1-NH1 3.39Å; D18-R394 VanDerWaalsContact CG-NH1 3.33Å; D18-R394 IonicContact OD1-CZ 3.03Å; D18-R394 IonicContact OD1-NH1 3.8Å; D18-R394 PolarHBondContact OD1-NH1 3.07Å; D18-R394 IonicContact OD1-NH2 3.65Å; D18-R394 PolarHBondContact OD1-NH2 3.16Å; D18-R394 IonicContact OD2-CZ 3.26Å; D18-R394 IonicContact OD2-NH1 3.87Å; D18-R394 PolarHBondContact OD2-NH1 2.86Å; D18-R394 IonicContact OD2-NH2 3.17Å; D18-R394 PolarHBondContact OD2-NH2 3.45Å; Y389-R394 HydrophobicContact CE2-CB 3.93Å; Y389-R394 HydrophobicContact CE2-CG 4.43Å; Y389-R394 WeakPolarHBondContact OH-CD 3.48Å; Y389-R394 PolarHBondContact OH-NH1 3.01Å; P390-R394 HydrophobicContact CB-CB 4.39Å; K392-R394 VanDerWaalsContact C-N 3.3Å; K392-R394 PolarHBondContact O-N 2.93Å; R394-A396 HydrophobicContact CG-CB 4.03Å; R394-S399 WeakPolarHBondContact O-CB 2.81Å; R394-S399 PolarHBondContact O-OG 3.45Å | ||
| 395 | I | 98.8 | Very high | 98.7 | Very high | 2 Ų | 2 | 27.5 Ų | 27.5 | 1% | 0.01 | 15% | 0.154 | C | C | . | . | trans | -91.9 | 100.6 | 163.7 | -63 | 165 | 0 | 0 | 0 | 107 | V14 N16 V25 L35 V59 L60 P61 I403 | V14-I395 HydrophobicContact CG1-CB 3.85Å; V14-I395 HydrophobicContact CG1-CD1 3.94Å; V14-I395 HydrophobicContact CG1-CG2 3.79Å; N16-I395 PolarHBondContact ND2-O 3.18Å; N16-I395 PolarHBondContact OD1-N 3.11Å; V25-I395 HydrophobicContact CG1-CG2 4.11Å; V25-I395 HydrophobicContact CG2-CG2 4.03Å; L35-I395 HydrophobicContact CD1-CG2 4.3Å; V59-I395 HydrophobicContact CB-CD1 4.37Å; V59-I395 HydrophobicContact CG1-CD1 3.81Å; V59-I395 WeakPolarHBondContact O-CD1 3.43Å; L60-I395 VanDerWaalsContact C-CD1 3.45Å; P61-I395 HydrophobicContact CG-CG1 4.17Å; I395-I403 HydrophobicContact CD1-CG2 4.27Å; I395-I403 HydrophobicContact CG1-CG1 4.32Å | ||
| 396 | A | 98.5 | Very high | 98.7 | Very high | 23 Ų | 23 | 27.4 Ų | 27.4 | 19% | 0.19 | 15% | 0.154 | C | C | . | . | S | Bend | trans | -150.2 | 156.6 | 176.4 | 0 | 0 | 0 | 0 | 0 | 109.8 | V32 R394 G398 S399 | V32-A396 VanDerWaalsContact CB-O 3.31Å; V32-A396 WeakPolarHBondContact CB-O 3.38Å; R394-A396 HydrophobicContact CG-CB 4.03Å; A396-G398 PolarHBondContact O-N 3.2Å; A396-S399 VanDerWaalsContact O-CB 3.29Å; A396-S399 WeakPolarHBondContact O-CB 3.49Å; A396-S399 PolarHBondContact O-N 3.09Å; A396-S399 PolarHBondContact O-OG 3.49Å |
| 397 | V | 98.6 | Very high | 98.7 | Very high | 99 Ų | 99 | 28.7 Ų | 28.7 | 60% | 0.6 | 16% | 0.161 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -56.3 | 127.3 | 175.2 | 177.1 | 0 | 0 | 0 | 0 | 109.8 | V32 | V32-V397 WeakPolarHBondContact O-CA 3.38Š|
| 398 | G | 98.3 | Very high | 98.6 | Very high | 51 Ų | 51 | 27.8 Ų | 27.8 | 53% | 0.526 | 16% | 0.158 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 91.7 | -9.7 | -177.4 | 0 | 0 | 0 | 0 | 0 | 115.3 | V32 A396 | V32-G398 PolarHBondContact O-N 3.24Å; A396-G398 PolarHBondContact O-N 3.2Å |
| 399 | S | 98.8 | Very high | 98.6 | Very high | 2 Ų | 2 | 35.8 Ų | 35.8 | 1% | 0.014 | 19% | 0.192 | C | C | . | . | S | Bend | trans | -73.8 | 152.3 | 172.1 | -61.7 | 0 | 0 | 0 | 0 | 111.7 | V31 V32 P390 R394 A396 A401 | V31-S399 WeakPolarHBondContact CA-O 3.45Å; V31-S399 WeakPolarHBondContact CG1-O 3.37Å; V32-S399 PolarHBondContact N-O 3.45Å; P390-S399 WeakPolarHBondContact O-CB 3.45Å; P390-S399 PolarHBondContact O-OG 2.99Å; R394-S399 WeakPolarHBondContact O-CB 2.81Å; R394-S399 PolarHBondContact O-OG 3.45Å; A396-S399 VanDerWaalsContact O-CB 3.29Å; A396-S399 WeakPolarHBondContact O-CB 3.49Å; A396-S399 PolarHBondContact O-N 3.09Å; A396-S399 PolarHBondContact O-OG 3.49Å; S399-A401 PolarHBondContact O-N 3.35Å |
| 400 | D | 98.8 | Very high | 98.5 | Very high | 25 Ų | 25 | 33.1 Ų | 33.1 | 13% | 0.134 | 19% | 0.187 | C | C | . | . | B | Isolated β-bridge | trans | -58 | 137 | 170 | -70.5 | -3 | 0 | 0 | 0 | 108.3 | R391 K392 D402 | R391-D400 HydrophobicContact CG-CB 4.47Å; R391-D400 WeakPolarHBondContact CG-OD1 3.28Å; R391-D400 IonicContact CZ-OD1 3.63Å; R391-D400 IonicContact CZ-OD2 2.79Å; R391-D400 VanDerWaalsContact NE-CG 3.33Å; R391-D400 IonicContact NE-OD1 3.32Å; R391-D400 PolarHBondContact NE-OD1 2.97Å; R391-D400 IonicContact NE-OD2 2.96Å; R391-D400 PolarHBondContact NE-OD2 3.22Å; R391-D400 IonicContact NH2-OD1 3.05Å; R391-D400 IonicContact NH2-OD2 2.74Å; R391-D400 PolarHBondContact NH2-OD2 3.29Å; R391-D400 VanDerWaalsContact NH2-OD2 3.08Å; R391-D400 WeakPolarHBondContact O-CB 3.36Å; R391-D400 PolarHBondContact O-N 3.18Å; K392-D400 IonicContact NZ-OD2 2.67Å; K392-D400 PolarHBondContact NZ-OD2 3.04Å; D400-D402 PolarHBondContact O-N 3.22Å |
| 401 | A | 98.5 | Very high | 98.4 | Very high | 0 Ų | 0 | 34 Ų | 34 | 0% | 0 | 19% | 0.191 | C | C | . | . | trans | -80.3 | 64.7 | 178.5 | 0 | 0 | 0 | 0 | 0 | 111.3 | V27 G30 V32 S399 I403 I441 R443 G444 | V27-A401 HydrophobicContact CB-CB 4.14Å; V27-A401 HydrophobicContact CG1-CB 3.31Å; V27-A401 HydrophobicContact CG2-CB 3.69Å; G30-A401 WeakPolarHBondContact O-CB 3.48Å; G30-A401 PolarHBondContact O-N 3.45Å; V32-A401 HydrophobicContact CG2-CB 4.42Å; S399-A401 PolarHBondContact O-N 3.35Å; A401-I403 HydrophobicContact CB-CD1 4.48Å; A401-I441 WeakPolarHBondContact O-CG2 3.36Å; A401-R443 PolarHBondContact O-N 2.94Å; A401-G444 PolarHBondContact O-N 3.23Å | ||
| 402 | D | 98.8 | Very high | 98.4 | Very high | 10 Ų | 10 | 31.8 Ų | 31.8 | 5% | 0.053 | 18% | 0.183 | C | C | . | . | trans | -104 | 94.1 | 172 | -67.2 | -23.4 | 0 | 0 | 0 | 108.1 | G62 T96 K392 D400 I441 R443 | G62-D402 PolarHBondContact N-O 2.69Å; T96-D402 HydrophobicContact CG2-CB 4.31Å; K392-D402 IonicContact NZ-OD2 3.66Å; K392-D402 PolarHBondContact NZ-OD2 2.93Å; D400-D402 PolarHBondContact O-N 3.22Å; D402-I441 CarbonylContact C-O 3.57Å; D402-I441 VanDerWaalsContact CA-O 3.32Å; D402-I441 WeakPolarHBondContact CA-O 3.32Å; D402-R443 PolarHBondContact OD1-N 3.39Å | ||
| 403 | I | 98.9 | Very high | 98.4 | Very high | 2 Ų | 2 | 35.5 Ų | 35.5 | 1% | 0.01 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.5 | 142.6 | -162.6 | -58.6 | 173.8 | 0 | 0 | 0 | 110 | I9 V25 V27 V32 V59 L60 I395 A401 I441 | I9-I403 HydrophobicContact CD1-CB 4.26Å; I9-I403 HydrophobicContact CD1-CD1 3.94Å; I9-I403 HydrophobicContact CD1-CG2 3.62Å; V25-I403 HydrophobicContact CG1-CD1 3.98Å; V27-I403 HydrophobicContact CG2-CD1 4.12Å; V32-I403 HydrophobicContact CG2-CD1 4Å; V59-I403 HydrophobicContact CG1-CG2 3.38Å; L60-I403 WeakPolarHBondContact O-CA 3.43Å; I395-I403 HydrophobicContact CD1-CG2 4.27Å; I395-I403 HydrophobicContact CG1-CG1 4.32Å; A401-I403 HydrophobicContact CB-CD1 4.48Å; I403-I441 HydrophobicContact CB-CB 4.32Å; I403-I441 HydrophobicContact CB-CD1 4.34Å; I403-I441 PolarHBondContact N-O 3.21Å; I403-I441 WeakPolarHBondContact O-CA 3.2Å; I403-I441 WeakPolarHBondContact O-CB 3.36Å; I403-I441 PolarHBondContact O-N 3.21Å |
| 404 | V | 98.9 | Very high | 98.4 | Very high | 0 Ų | 0 | 35.2 Ų | 35.2 | 0% | 0 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.2 | 128.6 | 173.8 | 179.4 | 0 | 0 | 0 | 0 | 109.7 | V59 L60 G94 W406 P437 V439 T440 | V59-V404 WeakPolarHBondContact CA-O 3.32Å; L60-V404 PolarHBondContact N-O 2.78Å; L60-V404 PolarHBondContact O-N 3.18Å; G94-V404 VanDerWaalsContact O-CG2 3.28Å; G94-V404 WeakPolarHBondContact O-CG2 3.39Å; V404-W406 HydrophobicContact CG1-CB 4.32Å; V404-W406 HydrophobicContact CG1-CE3 4.09Å; V404-P437 HydrophobicContact CG1-CB 3.82Å; V404-V439 WeakPolarHBondContact CA-O 3.43Å; V404-T440 HydrophobicContact CG2-CG2 4.29Å |
| 405 | I | 98.8 | Very high | 98.4 | Very high | 4 Ų | 4 | 34 Ų | 34 | 2% | 0.021 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.9 | 110.1 | 163.6 | -55.9 | 178.1 | 0 | 0 | 0 | 106.6 | I9 L52 A54 K57 L58 L438 V439 | I9-I405 HydrophobicContact CG2-CD1 3.91Å; I9-I405 HydrophobicContact CG2-CG1 4.17Å; L52-I405 HydrophobicContact CB-CD1 3.85Å; L52-I405 HydrophobicContact CD1-CD1 4.1Å; A54-I405 HydrophobicContact CB-CD1 4.32Å; A54-I405 HydrophobicContact CB-CG2 4.04Å; K57-I405 HydrophobicContact CB-CG2 3.81Å; K57-I405 HydrophobicContact CG-CG2 4.11Å; L58-I405 CarbonylContact O-C 3.54Å; L58-I405 WeakPolarHBondContact O-CA 3.26Å; I405-L438 PolarHBondContact O-N 3.22Å; I405-V439 HydrophobicContact CB-CB 4.01Å; I405-V439 HydrophobicContact CB-CG2 4.31Å; I405-V439 HydrophobicContact CD1-CB 4.02Å; I405-V439 HydrophobicContact CD1-CG2 4.08Å; I405-V439 HydrophobicContact CG1-CB 4.15Å; I405-V439 PolarHBondContact N-O 2.88Å; I405-V439 PolarHBondContact O-N 3.27Å |
| 406 | W | 98.8 | Very high | 98.4 | Very high | 0 Ų | 0 | 35.1 Ų | 35.1 | 0% | 0 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.2 | 128.2 | -171.2 | -176.9 | -92.1 | 0 | 0 | 0 | 110.7 | K57 L58 L60 M356 W360 F374 V404 P408 G435 P437 | K57-W406 WeakPolarHBondContact CB-O 3.29Å; L58-W406 HydrophobicContact CB-CB 4.25Å; L58-W406 PolarHBondContact N-O 3.3Å; L58-W406 PolarHBondContact O-N 2.98Å; L60-W406 HydrophobicContact CD1-CB 3.77Å; L60-W406 HydrophobicContact CD1-CD2 4.22Å; L60-W406 HydrophobicContact CD1-CG 3.85Å; L60-W406 HydrophobicContact CG-CB 4.07Å; M356-W406 HydrophobicContact CB-CH2 3.86Å; M356-W406 HydrophobicContact CB-CZ3 3.87Å; W360-W406 HydrophobicContact CB-CH2 4.43Å; W360-W406 HydrophobicContact CB-CZ2 3.66Å; W360-W406 AromaticContact CD2-CE2 3.85Å; W360-W406 AromaticContact CD2-CZ2 3.85Å; W360-W406 HydrophobicContact CD2-CZ2 3.85Å; W360-W406 AromaticContact CD2-NE1 3.35Å; W360-W406 VanDerWaalsContact CD2-NE1 3.35Å; W360-W406 AromaticContact CE2-NE1 3.58Å; W360-W406 AromaticContact CE3-CE2 3.83Å; W360-W406 HydrophobicContact CE3-CZ2 4.04Å; W360-W406 AromaticContact CE3-NE1 3.34Å; W360-W406 VanDerWaalsContact CE3-NE1 3.34Å; W360-W406 AromaticContact CG-CZ2 3.68Å; W360-W406 HydrophobicContact CG-CZ2 3.68Å; W360-W406 AromaticContact CH2-NE1 3.88Å; W360-W406 AromaticContact CZ2-NE1 3.86Å; W360-W406 AromaticContact CZ3-NE1 3.61Å; F374-W406 HydrophobicContact CZ-CZ2 4.49Å; V404-W406 HydrophobicContact CG1-CB 4.32Å; V404-W406 HydrophobicContact CG1-CE3 4.09Å; W406-P408 WeakPolarHBondContact O-CD 3.49Å; W406-G435 VanDerWaalsContact CE2-C 3.46Å; W406-G435 VanDerWaalsContact CE2-CA 3.42Å; W406-G435 VanDerWaalsContact CH2-O 3.27Å; W406-G435 WeakPolarHBondContact CH2-O 3.46Å; W406-G435 WeakPolarHBondContact CZ2-O 3.45Å; W406-P437 HydrophobicContact CE3-CB 4.14Å; W406-P437 HydrophobicContact CZ3-CB 4.21Å; W406-P437 HydrophobicContact CZ3-CG 4.28Å |
| 407 | D | 98.4 | Very high | 98.4 | Very high | 27 Ų | 27 | 43.2 Ų | 43.2 | 14% | 0.144 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.8 | 106.2 | 172.5 | -167.7 | -23.8 | 0 | 0 | 0 | 110.4 | K57 K409 A410 G435 V436 L438 | K57-D407 HydrophobicContact CD-CB 3.78Å; K57-D407 WeakPolarHBondContact CE-OD2 3.43Å; D407-K409 PolarHBondContact O-N 2.87Å; D407-K409 PolarHBondContact OD1-N 2.9Å; D407-A410 HydrophobicContact CB-CB 3.66Å; D407-A410 PolarHBondContact OD1-N 2.84Å; D407-A410 VanDerWaalsContact OD1-N 3.1Å; D407-G435 VanDerWaalsContact O-CA 3.23Å; D407-G435 WeakPolarHBondContact O-CA 3.13Å; D407-V436 PolarHBondContact N-O 2.79Å; D407-V436 PolarHBondContact O-N 2.81Å; D407-L438 HydrophobicContact CB-CD1 3.77Å; D407-L438 HydrophobicContact CB-CD2 4.03Å; D407-L438 HydrophobicContact CB-CG 3.75Å |
| 408 | P | 97.7 | Very high | 98.3 | Very high | 33 Ų | 33 | 42.8 Ų | 42.8 | 21% | 0.214 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -71.4 | -12.9 | -178.8 | 31.6 | -36.5 | 0 | 0 | 0 | 113.4 | L58 W360 W406 | L58-P408 HydrophobicContact CD1-CB 4.32Å; L58-P408 HydrophobicContact CD1-CG 4.41Å; L58-P408 HydrophobicContact CG-CG 4.22Å; W360-P408 HydrophobicContact CH2-CB 3.97Å; W360-P408 HydrophobicContact CZ2-CB 3.37Å; W406-P408 WeakPolarHBondContact O-CD 3.49Å |
| 409 | K | 96.8 | Very high | 98.3 | Very high | 177 Ų | 177 | 41.6 Ų | 41.6 | 77% | 0.77 | 22% | 0.22 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -105.3 | -19.7 | -178 | -63 | -178 | -179 | -179 | 0 | 112.9 | D407 | D407-K409 PolarHBondContact O-N 2.87Å; D407-K409 PolarHBondContact OD1-N 2.9Å |
| 410 | A | 97.2 | Very high | 98.3 | Very high | 25 Ų | 25 | 43.5 Ų | 43.5 | 21% | 0.207 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -64.1 | 146.9 | 171.9 | 0 | 0 | 0 | 0 | 0 | 110.2 | D407 H434 G435 V436 | D407-A410 HydrophobicContact CB-CB 3.66Å; D407-A410 PolarHBondContact OD1-N 2.84Å; D407-A410 VanDerWaalsContact OD1-N 3.1Å; A410-H434 CarbonylContact O-C 3.58Å; A410-H434 WeakPolarHBondContact O-CA 3.17Å; A410-G435 PolarHBondContact O-N 3.08Å; A410-V436 HydrophobicContact CB-CB 4.03Å; A410-V436 HydrophobicContact CB-CG2 4.07Å |
| 411 | T | 97.8 | Very high | 98.3 | Very high | 86 Ų | 86 | 42.9 Ų | 42.9 | 53% | 0.528 | 23% | 0.225 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.5 | 140.3 | 179.8 | 55.1 | 0 | 0 | 0 | 0 | 110.3 | C433 H434 | T411-C433 CarbonylContact C-O 3.48Å; T411-C433 VanDerWaalsContact CA-O 3.29Å; T411-C433 WeakPolarHBondContact CA-O 3.49Å; T411-H434 VanDerWaalsContact CG2-CD2 3.44Å; T411-H434 WeakPolarHBondContact CG2-CD2 3.19Å |
| 412 | R | 97.4 | Very high | 98.3 | Very high | 50 Ų | 50 | 44.8 Ų | 44.8 | 19% | 0.189 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.7 | 146.9 | 167.5 | 71.6 | -179.8 | -176.9 | 112.5 | 4.7 | 110.7 | D354 S357 V432 C433 V436 | D354-R412 IonicContact OD1-CZ 3.67Å; D354-R412 VanDerWaalsContact OD1-CZ 3.31Å; D354-R412 IonicContact OD1-NH1 3.45Å; D354-R412 PolarHBondContact OD1-NH1 2.94Å; D354-R412 IonicContact OD1-NH2 3.18Å; D354-R412 PolarHBondContact OD1-NH2 2.63Å; S357-R412 PolarHBondContact OG-NE 2.99Å; S357-R412 VanDerWaalsContact OG-NE 3.13Å; S357-R412 PolarHBondContact OG-NH2 2.79Å; R412-V432 WeakPolarHBondContact O-CA 3.45Å; R412-C433 PolarHBondContact N-O 2.63Å; R412-C433 PolarHBondContact O-N 3.22Å; R412-V436 HydrophobicContact CB-CG2 3.97Å; R412-V436 HydrophobicContact CG-CG2 3.9Å |
| 413 | T | 98.7 | Very high | 98.3 | Very high | 82 Ų | 82 | 44.3 Ų | 44.3 | 50% | 0.503 | 24% | 0.238 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -97 | 120.9 | 166.4 | -55.9 | 0 | 0 | 0 | 0 | 108 | S415 M431 | T413-S415 PolarHBondContact O-N 2.6Å; T413-M431 WeakPolarHBondContact CA-O 3.05Å |
| 414 | I | 98.8 | Very high | 98.3 | Very high | 0 Ų | 0 | 48.6 Ų | 48.6 | 0% | 0 | 26% | 0.261 | C | S | . | . | trans | -68.3 | 130.6 | 178.5 | -62.7 | 172.7 | 0 | 0 | 0 | 109.1 | D354 V358 N426 F428 G430 M431 | D354-I414 HydrophobicContact CB-CD1 4.02Å; V358-I414 HydrophobicContact CG2-CD1 3.88Å; I414-N426 HydrophobicContact CG2-CB 4.47Å; I414-N426 VanDerWaalsContact CG2-ND2 3.26Å; I414-N426 WeakPolarHBondContact CG2-ND2 3.14Å; I414-F428 HydrophobicContact CB-CB 4.41Å; I414-F428 HydrophobicContact CD1-CB 3.89Å; I414-F428 HydrophobicContact CG2-CB 4.04Å; I414-G430 PolarHBondContact O-N 2.92Å; I414-M431 HydrophobicContact CD1-CB 4.36Å; I414-M431 PolarHBondContact N-O 2.58Å | ||
| 415 | S | 98.6 | Very high | 98.3 | Very high | 17 Ų | 17 | 49.1 Ų | 49.1 | 12% | 0.119 | 26% | 0.264 | C | S | . | . | trans | -149.9 | 141.7 | 174.9 | -175 | 0 | 0 | 0 | 0 | 111.7 | T413 K417 T418 H419 E429 | T413-S415 PolarHBondContact O-N 2.6Å; S415-K417 PolarHBondContact O-N 3.44Å; S415-K417 VanDerWaalsContact O-N 3.13Å; S415-K417 PolarHBondContact OG-N 3.23Å; S415-T418 PolarHBondContact O-N 2.86Å; S415-T418 PolarHBondContact O-OG1 3.44Å; S415-H419 PolarHBondContact O-N 2.84Å; S415-E429 WeakPolarHBondContact CA-OE1 3.45Å; S415-E429 VanDerWaalsContact CA-OE2 3.29Å; S415-E429 WeakPolarHBondContact CA-OE2 3.12Å; S415-E429 VanDerWaalsContact CB-OE1 3.29Å; S415-E429 WeakPolarHBondContact CB-OE1 3.27Å; S415-E429 PolarHBondContact OG-OE1 2.92Å | ||
| 416 | A | 98.5 | Very high | 98.3 | Very high | 25 Ų | 25 | 49.4 Ų | 49.4 | 21% | 0.207 | 27% | 0.265 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -58.5 | -20.6 | 169.9 | 0 | 0 | 0 | 0 | 0 | 112.8 | T418 H419 N426 E429 | A416-T418 VanDerWaalsContact C-N 3.3Å; A416-H419 PolarHBondContact O-CD2 2.81Å; A416-H419 PolarHBondContact O-NE2 2.84Å; A416-H419 VanDerWaalsContact O-NE2 3.16Å; A416-N426 HydrophobicContact CB-CB 4.26Å; A416-E429 PolarHBondContact N-OE2 3.06Å |
| 417 | K | 98.4 | Very high | 98.3 | Very high | 192 Ų | 192 | 49.8 Ų | 49.8 | 84% | 0.835 | 27% | 0.267 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74.3 | -21.6 | 176.1 | -65.3 | -179.8 | -178.2 | 174.4 | 0 | 113.5 | S415 | S415-K417 PolarHBondContact O-N 3.44Å; S415-K417 VanDerWaalsContact O-N 3.13Å; S415-K417 PolarHBondContact OG-N 3.23Å |
| 418 | T | 98.1 | Very high | 98.3 | Very high | 90 Ų | 90 | 48.7 Ų | 48.7 | 55% | 0.552 | 26% | 0.261 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -123.2 | -10.5 | -171.6 | 57.6 | 0 | 0 | 0 | 0 | 113.4 | S415 A416 | S415-T418 PolarHBondContact O-N 2.86Å; S415-T418 PolarHBondContact O-OG1 3.44Å; A416-T418 VanDerWaalsContact C-N 3.3Å |
| 419 | H | 98.4 | Very high | 98.3 | Very high | 26 Ų | 26 | 52 Ų | 52 | 12% | 0.12 | 27% | 0.273 | C | S | . | . | trans | -70 | 168 | 173.7 | 75 | 173.2 | 0 | 0 | 0 | 111.4 | E353 S415 A416 Q421 V423 F425 | E353-H419 WeakPolarHBondContact OE1-CA 3.39Å; S415-H419 PolarHBondContact O-N 2.84Å; A416-H419 PolarHBondContact O-CD2 2.81Å; A416-H419 PolarHBondContact O-NE2 2.84Å; A416-H419 VanDerWaalsContact O-NE2 3.16Å; H419-Q421 PolarHBondContact ND1-NE2 2.87Å; H419-V423 PolarHBondContact CE1-O 3.35Å; H419-V423 PolarHBondContact NE2-O 3.46Å; H419-F425 PolarHBondContact CE1-O 2.94Å | ||
| 420 | H | 98.5 | Very high | 98.4 | Very high | 43 Ų | 43 | 45.7 Ų | 45.7 | 20% | 0.199 | 26% | 0.259 | C | S | . | . | trans | -113.8 | 18.8 | -179.6 | -50.6 | 85.7 | 0 | 0 | 0 | 111.2 | Q85 A89 E353 F453 | Q85-H420 PolarHBondContact NE2-O 3.3Å; A89-H420 HydrophobicContact CB-CB 4.48Å; A89-H420 WeakPolarHBondContact CB-O 3.39Å; E353-H420 IonicContact OE1-CE1 3.97Å; E353-H420 IonicContact OE1-CG 3.54Å; E353-H420 PolarHBondContact OE1-N 2.98Å; E353-H420 IonicContact OE1-ND1 2.78Å; E353-H420 PolarHBondContact OE1-ND1 2.78Å; E353-H420 WeakPolarHBondContact OE2-CA 3.3Å; E353-H420 WeakPolarHBondContact OE2-CB 3.27Å; E353-H420 IonicContact OE2-CG 3.53Å; E353-H420 PolarHBondContact OE2-N 2.88Å; E353-H420 IonicContact OE2-ND1 3.22Å; H420-F453 HydrophobicContact CB-CZ 4.17Å; H420-F453 AromaticContact CD2-CE2 3.42Å; H420-F453 VanDerWaalsContact CD2-CE2 3.42Å; H420-F453 WeakPolarHBondContact CD2-CE2 3.49Å; H420-F453 AromaticContact CD2-CZ 3.77Å; H420-F453 AromaticContact CG-CZ 3.9Å; H420-F453 AromaticContact NE2-CE2 3.91Å | ||
| 421 | Q | 98.3 | Very high | 98.5 | Very high | 11 Ų | 11 | 45.9 Ų | 45.9 | 5% | 0.051 | 26% | 0.256 | C | S | . | . | S | Bend | trans | -85.8 | 155.4 | 171 | -64.1 | 161.4 | 95.1 | 0 | 0 | 109 | D81 A89 N327 N350 G351 V352 E353 D354 H419 V423 | D81-Q421 WeakPolarHBondContact OD1-CA 3.31Å; A89-Q421 HydrophobicContact CB-CG 3.64Å; N327-Q421 PolarHBondContact OD1-OE1 3.35Å; N350-Q421 VanDerWaalsContact CB-OE1 3.27Å; G351-Q421 VanDerWaalsContact N-OE1 3.16Å; V352-Q421 HydrophobicContact CG1-CG 4.25Å; E353-Q421 HydrophobicContact CB-CG 4.27Å; D354-Q421 PolarHBondContact OD2-NE2 3.22Å; H419-Q421 PolarHBondContact ND1-NE2 2.87Å; Q421-V423 VanDerWaalsContact C-N 3.3Å; Q421-V423 HydrophobicContact CB-CG1 4.07Å |
| 422 | A | 98.4 | Very high | 98.5 | Very high | 40 Ų | 40 | 45.3 Ų | 45.3 | 33% | 0.331 | 25% | 0.252 | S | S | . | . | S | Bend | trans | -75.7 | -20.3 | 179 | 0 | 0 | 0 | 0 | 0 | 113.2 | I80 D81 Q85 | I80-A422 HydrophobicContact CB-CB 4.44Å; I80-A422 HydrophobicContact CG1-CB 3.91Å; I80-A422 HydrophobicContact CG2-CB 4.07Å; D81-A422 WeakPolarHBondContact OD1-CB 3.29Å; D81-A422 PolarHBondContact OD1-N 2.85Å; Q85-A422 HydrophobicContact CG-CB 4Å |
| 423 | V | 98.6 | Very high | 98.6 | Very high | 1 Ų | 1 | 42.9 Ų | 42.9 | 1% | 0.006 | 24% | 0.243 | C | C | . | . | S | Bend | trans | -73.1 | 139.7 | -174.9 | 64.9 | 0 | 0 | 0 | 0 | 112.3 | I80 T329 N331 N350 H419 Q421 F425 | I80-V423 HydrophobicContact CG2-CB 3.9Å; I80-V423 HydrophobicContact CG2-CG2 4.45Å; T329-V423 HydrophobicContact CG2-CB 4.18Å; T329-V423 HydrophobicContact CG2-CG1 3.91Å; N331-V423 WeakPolarHBondContact OD1-CA 3.15Å; N350-V423 HydrophobicContact CB-CG1 3.93Å; H419-V423 PolarHBondContact CE1-O 3.35Å; H419-V423 PolarHBondContact NE2-O 3.46Å; Q421-V423 VanDerWaalsContact C-N 3.3Å; Q421-V423 HydrophobicContact CB-CG1 4.07Å; V423-F425 VanDerWaalsContact C-N 3.26Å; V423-F425 WeakPolarHBondContact CG1-O 3.48Å; V423-F425 HydrophobicContact CG2-CD1 3.69Å; V423-F425 HydrophobicContact CG2-CE1 3.48Å; V423-F425 VanDerWaalsContact CG2-CE1 3.48Å; V423-F425 HydrophobicContact CG2-CE2 4.34Å; V423-F425 HydrophobicContact CG2-CG 4.25Å; V423-F425 HydrophobicContact CG2-CZ 3.81Å; V423-F425 PolarHBondContact O-N 3.36Å |
| 424 | N | 98.3 | Very high | 98.6 | Very high | 91 Ų | 91 | 41.4 Ų | 41.4 | 49% | 0.487 | 23% | 0.23 | S | C | . | . | S | Bend | trans | -84.9 | 19.8 | -172.8 | 71.2 | -6.3 | 0 | 0 | 0 | 116.1 | N331 T332 | N331-N424 PolarHBondContact OD1-N 2.8Å; N331-N424 PolarHBondContact OD1-OD1 3.13Å; T332-N424 PolarHBondContact N-OD1 3.16Å; T332-N424 PolarHBondContact OG1-OD1 2.89Å |
| 425 | F | 98.7 | Very high | 98.5 | Very high | 12 Ų | 12 | 41.4 Ų | 41.4 | 5% | 0.053 | 23% | 0.23 | C | C | . | . | trans | -150.2 | 171.5 | 174.8 | 64.9 | -98.2 | 0 | 0 | 0 | 110.4 | H294 F330 H419 V423 I427 | H294-F425 HydrophobicContact CB-CD1 4.35Å; H294-F425 HydrophobicContact CB-CD2 3.64Å; H294-F425 HydrophobicContact CB-CE1 4.24Å; H294-F425 HydrophobicContact CB-CE2 3.56Å; H294-F425 HydrophobicContact CB-CG 4.06Å; H294-F425 HydrophobicContact CB-CZ 3.88Å; H294-F425 AromaticContact CD2-CD1 3.28Å; H294-F425 WeakPolarHBondContact CD2-CD1 3.17Å; H294-F425 AromaticContact CD2-CE1 3.34Å; H294-F425 WeakPolarHBondContact CD2-CE1 3.13Å; H294-F425 AromaticContact CD2-CG 3.7Å; H294-F425 AromaticContact CD2-CZ 3.87Å; H294-F425 AromaticContact CE1-CD1 3.76Å; H294-F425 AromaticContact CE1-CG 3.72Å; H294-F425 AromaticContact CG-CD1 3.64Å; H294-F425 AromaticContact CG-CD2 3.67Å; H294-F425 AromaticContact CG-CE1 3.84Å; H294-F425 AromaticContact CG-CE2 3.92Å; H294-F425 AromaticContact CG-CG 3.53Å; H294-F425 AromaticContact ND1-CD1 3.94Å; H294-F425 AromaticContact ND1-CD2 3.95Å; H294-F425 AromaticContact ND1-CG 3.57Å; H294-F425 AromaticContact NE2-CD1 3.37Å; H294-F425 WeakPolarHBondContact NE2-CD1 3.11Å; H294-F425 AromaticContact NE2-CE1 3.88Å; H294-F425 AromaticContact NE2-CG 3.81Å; H294-F425 WeakPolarHBondContact O-CE2 3.26Å; F330-F425 WeakPolarHBondContact O-CE1 3.4Å; H419-F425 PolarHBondContact CE1-O 2.94Å; V423-F425 VanDerWaalsContact C-N 3.26Å; V423-F425 WeakPolarHBondContact CG1-O 3.48Å; V423-F425 HydrophobicContact CG2-CD1 3.69Å; V423-F425 HydrophobicContact CG2-CE1 3.48Å; V423-F425 VanDerWaalsContact CG2-CE1 3.48Å; V423-F425 HydrophobicContact CG2-CE2 4.34Å; V423-F425 HydrophobicContact CG2-CG 4.25Å; V423-F425 HydrophobicContact CG2-CZ 3.81Å; V423-F425 PolarHBondContact O-N 3.36Å; F425-I427 HydrophobicContact CD2-CG2 4.44Å; F425-I427 HydrophobicContact CE2-CG2 4.1Å | ||
| 426 | N | 98.8 | Very high | 98.4 | Very high | 9 Ų | 9 | 41.8 Ų | 41.8 | 5% | 0.048 | 23% | 0.232 | C | C | . | . | trans | -139.9 | 128.8 | 171.7 | -163.7 | -44 | 0 | 0 | 0 | 110.1 | N350 D354 I414 A416 F428 E429 | N350-N426 PolarHBondContact ND2-ND2 3.19Å; N350-N426 PolarHBondContact ND2-OD1 2.79Å; N350-N426 WeakPolarHBondContact OD1-CA 3.35Å; D354-N426 PolarHBondContact OD2-ND2 3.3Å; I414-N426 HydrophobicContact CG2-CB 4.47Å; I414-N426 VanDerWaalsContact CG2-ND2 3.26Å; I414-N426 WeakPolarHBondContact CG2-ND2 3.14Å; A416-N426 HydrophobicContact CB-CB 4.26Å; N426-F428 PolarHBondContact O-N 3.26Å; N426-F428 WeakPolarHBondContact OD1-CD2 3.37Å; N426-F428 PolarHBondContact OD1-N 3.02Å; N426-E429 WeakPolarHBondContact O-CB 3.38Å; N426-E429 PolarHBondContact O-N 2.88Å; N426-E429 VanDerWaalsContact O-N 3.13Å | ||
| 427 | I | 98.8 | Very high | 98.4 | Very high | 8 Ų | 8 | 40.9 Ų | 40.9 | 4% | 0.041 | 22% | 0.224 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -69.2 | -11.5 | 178.4 | 66 | 163.7 | 0 | 0 | 0 | 113.2 | A275 T279 V349 N350 F425 | A275-I427 HydrophobicContact CB-CD1 3.54Å; T279-I427 HydrophobicContact CG2-CD1 4.05Å; V349-I427 HydrophobicContact CB-CD1 3.96Å; V349-I427 HydrophobicContact CB-CG2 4.07Å; V349-I427 HydrophobicContact CG1-CD1 4.37Å; V349-I427 HydrophobicContact CG1-CG2 4.03Å; V349-I427 HydrophobicContact CG2-CD1 3.85Å; N350-I427 PolarHBondContact OD1-N 3.49Å; F425-I427 HydrophobicContact CD2-CG2 4.44Å; F425-I427 HydrophobicContact CE2-CG2 4.1Å |
| 428 | F | 98.9 | Very high | 98.4 | Very high | 4 Ų | 4 | 34.6 Ų | 34.6 | 2% | 0.018 | 20% | 0.199 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -106 | 20.1 | 174.3 | -46.5 | -66.5 | 0 | 0 | 0 | 112.3 | A274 T279 D354 V358 I414 N426 G430 M431 | A274-F428 HydrophobicContact CB-CE2 4.43Å; A274-F428 HydrophobicContact CB-CZ 4.01Å; A274-F428 WeakPolarHBondContact O-CZ 3.3Å; T279-F428 HydrophobicContact CG2-CD1 4.49Å; T279-F428 HydrophobicContact CG2-CE1 4.14Å; D354-F428 HydrophobicContact CB-CD2 3.85Å; D354-F428 HydrophobicContact CB-CE2 4.14Å; V358-F428 HydrophobicContact CG1-CE1 4.38Å; V358-F428 HydrophobicContact CG2-CD1 4.2Å; V358-F428 HydrophobicContact CG2-CD2 4.14Å; V358-F428 HydrophobicContact CG2-CE1 4.37Å; V358-F428 HydrophobicContact CG2-CE2 4.31Å; V358-F428 HydrophobicContact CG2-CG 4.08Å; V358-F428 HydrophobicContact CG2-CZ 4.42Å; I414-F428 HydrophobicContact CB-CB 4.41Å; I414-F428 HydrophobicContact CD1-CB 3.89Å; I414-F428 HydrophobicContact CG2-CB 4.04Å; N426-F428 PolarHBondContact O-N 3.26Å; N426-F428 WeakPolarHBondContact OD1-CD2 3.37Å; N426-F428 PolarHBondContact OD1-N 3.02Å; F428-G430 PolarHBondContact O-N 3.05Å; F428-M431 HydrophobicContact CB-CB 4.31Å; F428-M431 HydrophobicContact CB-CE 4.22Å; F428-M431 HydrophobicContact CD1-CE 3.82Å; F428-M431 HydrophobicContact CG-CE 4.42Å; F428-M431 WeakPolarHBondContact O-CB 3.31Å; F428-M431 PolarHBondContact O-N 3.41Å |
| 429 | E | 98.7 | Very high | 98.4 | Very high | 102 Ų | 102 | 30.9 Ų | 30.9 | 48% | 0.477 | 18% | 0.176 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -50.2 | 126.9 | -178.3 | -172.3 | 68 | -148.6 | 0 | 0 | 111.8 | S415 A416 N426 M431 | S415-E429 WeakPolarHBondContact CA-OE1 3.45Å; S415-E429 VanDerWaalsContact CA-OE2 3.29Å; S415-E429 WeakPolarHBondContact CA-OE2 3.12Å; S415-E429 VanDerWaalsContact CB-OE1 3.29Å; S415-E429 WeakPolarHBondContact CB-OE1 3.27Å; S415-E429 PolarHBondContact OG-OE1 2.92Å; A416-E429 PolarHBondContact N-OE2 3.06Å; N426-E429 WeakPolarHBondContact O-CB 3.38Å; N426-E429 PolarHBondContact O-N 2.88Å; N426-E429 VanDerWaalsContact O-N 3.13Å; E429-M431 VanDerWaalsContact C-N 3.28Å; E429-M431 PolarHBondContact O-N 2.98Å |
| 430 | G | 98.7 | Very high | 98.4 | Very high | 45 Ų | 45 | 29.7 Ų | 29.7 | 46% | 0.464 | 17% | 0.17 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 80.9 | -3.4 | 179.5 | 0 | 0 | 0 | 0 | 0 | 115.1 | I414 F428 V432 | I414-G430 PolarHBondContact O-N 2.92Å; F428-G430 PolarHBondContact O-N 3.05Å; G430-V432 PolarHBondContact O-N 3.13Å |
| 431 | M | 98.8 | Very high | 98.4 | Very high | 29 Ų | 29 | 27.6 Ų | 27.6 | 14% | 0.143 | 16% | 0.161 | C | C | . | . | trans | -67.3 | 120.9 | 176.5 | -172.8 | -177.8 | -62.2 | 0 | 0 | 110.5 | G278 V358 T413 I414 F428 E429 | G278-M431 WeakPolarHBondContact O-CE 3.22Å; V358-M431 HydrophobicContact CG2-SD 4.08Å; T413-M431 WeakPolarHBondContact CA-O 3.05Å; I414-M431 HydrophobicContact CD1-CB 4.36Å; I414-M431 PolarHBondContact N-O 2.58Å; F428-M431 HydrophobicContact CB-CB 4.31Å; F428-M431 HydrophobicContact CB-CE 4.22Å; F428-M431 HydrophobicContact CD1-CE 3.82Å; F428-M431 HydrophobicContact CG-CE 4.42Å; F428-M431 WeakPolarHBondContact O-CB 3.31Å; F428-M431 PolarHBondContact O-N 3.41Å; E429-M431 VanDerWaalsContact C-N 3.28Å; E429-M431 PolarHBondContact O-N 2.98Å | ||
| 432 | V | 98.8 | Very high | 98.4 | Very high | 74 Ų | 74 | 27.3 Ų | 27.3 | 45% | 0.448 | 16% | 0.16 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.7 | 121.9 | 170.7 | -177.3 | 0 | 0 | 0 | 0 | 108.1 | R412 G430 | R412-V432 WeakPolarHBondContact O-CA 3.45Å; G430-V432 PolarHBondContact O-N 3.13Å |
| 433 | C | 98.6 | Very high | 98.4 | Very high | 0 Ų | 0 | 29.6 Ų | 29.6 | 0% | 0 | 16% | 0.16 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.2 | 130.8 | 176.5 | -62.3 | 0 | 0 | 0 | 0 | 110.4 | E361 T411 R412 | E361-C433 HydrophobicContact CB-CB 4.02Å; E361-C433 HydrophobicContact CG-CB 4.44Å; E361-C433 WeakPolarHBondContact OE2-CA 3.35Å; T411-C433 CarbonylContact C-O 3.48Å; T411-C433 VanDerWaalsContact CA-O 3.29Å; T411-C433 WeakPolarHBondContact CA-O 3.49Å; R412-C433 PolarHBondContact N-O 2.63Å; R412-C433 PolarHBondContact O-N 3.22Å |
| 434 | H | 98.5 | Very high | 98.3 | Very high | 50 Ų | 50 | 29.5 Ų | 29.5 | 23% | 0.231 | 16% | 0.16 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -76.4 | 156.7 | 158.4 | -58.2 | 80.5 | 0 | 0 | 0 | 109.4 | W360 E361 H365 A410 T411 | W360-H434 VanDerWaalsContact CD1-C 3.46Å; E361-H434 IonicContact OE1-ND1 3.52Å; E361-H434 IonicContact OE2-CE1 2.85Å; E361-H434 IonicContact OE2-CG 3.97Å; E361-H434 PolarHBondContact OE2-N 2.9Å; E361-H434 IonicContact OE2-ND1 3.6Å; E361-H434 PolarHBondContact OE2-ND1 3.22Å; H365-H434 HydrophobicContact CB-CB 4.44Å; H365-H434 AromaticContact CD2-CE1 3.88Å; H365-H434 AromaticContact CD2-ND1 3.44Å; H365-H434 PolarHBondContact CD2-ND1 3.3Å; H365-H434 AromaticContact CE1-CD2 3.92Å; H365-H434 AromaticContact CE1-CE1 3.5Å; H365-H434 PolarHBondContact CE1-CE1 3.42Å; H365-H434 VanDerWaalsContact CE1-CE1 3.5Å; H365-H434 AromaticContact CE1-CG 3.76Å; H365-H434 AromaticContact CE1-ND1 3.5Å; H365-H434 PolarHBondContact CE1-ND1 2.91Å; H365-H434 AromaticContact CE1-NE2 3.78Å; H365-H434 AromaticContact CG-CG 3.98Å; H365-H434 AromaticContact CG-ND1 3.7Å; H365-H434 AromaticContact ND1-CG 3.72Å; H365-H434 AromaticContact ND1-ND1 3.73Å; H365-H434 AromaticContact NE2-CE1 3.3Å; H365-H434 PolarHBondContact NE2-CE1 2.92Å; H365-H434 VanDerWaalsContact NE2-CE1 3.3Å; H365-H434 AromaticContact NE2-ND1 3.34Å; H365-H434 PolarHBondContact NE2-ND1 3.48Å; A410-H434 CarbonylContact O-C 3.58Å; A410-H434 WeakPolarHBondContact O-CA 3.17Å; T411-H434 VanDerWaalsContact CG2-CD2 3.44Å; T411-H434 WeakPolarHBondContact CG2-CD2 3.19Å |
| 435 | G | 97.1 | Very high | 98.3 | Very high | 0 Ų | 0 | 30 Ų | 30 | 0% | 0 | 16% | 0.158 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 80.8 | 102.7 | -178.5 | 0 | 0 | 0 | 0 | 0 | 111.6 | S357 W406 D407 A410 | S357-G435 PolarHBondContact OG-O 2.88Å; W406-G435 VanDerWaalsContact CE2-C 3.46Å; W406-G435 VanDerWaalsContact CE2-CA 3.42Å; W406-G435 VanDerWaalsContact CH2-O 3.27Å; W406-G435 WeakPolarHBondContact CH2-O 3.46Å; W406-G435 WeakPolarHBondContact CZ2-O 3.45Å; D407-G435 VanDerWaalsContact O-CA 3.23Å; D407-G435 WeakPolarHBondContact O-CA 3.13Å; A410-G435 PolarHBondContact O-N 3.08Å |
| 436 | V | 96.8 | Very high | 98.2 | Very high | 25 Ų | 25 | 30 Ų | 30 | 15% | 0.152 | 16% | 0.158 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.4 | 135.5 | -177.8 | -177.7 | 0 | 0 | 0 | 0 | 109.7 | D407 A410 R412 L438 | D407-V436 PolarHBondContact N-O 2.79Å; D407-V436 PolarHBondContact O-N 2.81Å; A410-V436 HydrophobicContact CB-CB 4.03Å; A410-V436 HydrophobicContact CB-CG2 4.07Å; R412-V436 HydrophobicContact CB-CG2 3.97Å; R412-V436 HydrophobicContact CG-CG2 3.9Å; V436-L438 PolarHBondContact O-N 3.37Å |
| 437 | P | 97.9 | Very high | 98.2 | Very high | 7 Ų | 7 | 29.8 Ų | 29.8 | 5% | 0.045 | 16% | 0.158 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -68.3 | 117 | 170.2 | 29.6 | -33.8 | 0 | 0 | 0 | 109.5 | A92 V404 W406 | A92-P437 WeakPolarHBondContact O-CG 3.23Å; V404-P437 HydrophobicContact CG1-CB 3.82Å; W406-P437 HydrophobicContact CE3-CB 4.14Å; W406-P437 HydrophobicContact CZ3-CB 4.21Å; W406-P437 HydrophobicContact CZ3-CG 4.28Å |
| 438 | L | 97.9 | Very high | 98.2 | Very high | 60 Ų | 60 | 30.8 Ų | 30.8 | 31% | 0.314 | 16% | 0.161 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.8 | -42.3 | 174.5 | -65 | -174.8 | 0 | 0 | 0 | 111.5 | K57 I405 D407 V436 | K57-L438 HydrophobicContact CD-CD1 3.78Å; K57-L438 HydrophobicContact CG-CD1 4.24Å; I405-L438 PolarHBondContact O-N 3.22Å; D407-L438 HydrophobicContact CB-CD1 3.77Å; D407-L438 HydrophobicContact CB-CD2 4.03Å; D407-L438 HydrophobicContact CB-CG 3.75Å; V436-L438 PolarHBondContact O-N 3.37Å |
| 439 | V | 98.8 | Very high | 98.1 | Very high | 12 Ų | 12 | 34 Ų | 34 | 7% | 0.073 | 18% | 0.176 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.1 | 130.1 | -179.2 | -170.5 | 0 | 0 | 0 | 0 | 108.7 | L52 V404 I405 I441 V446 Y448 E449 | L52-V439 HydrophobicContact CD1-CG1 4.32Å; V404-V439 WeakPolarHBondContact CA-O 3.43Å; I405-V439 HydrophobicContact CB-CB 4.01Å; I405-V439 HydrophobicContact CB-CG2 4.31Å; I405-V439 HydrophobicContact CD1-CB 4.02Å; I405-V439 HydrophobicContact CD1-CG2 4.08Å; I405-V439 HydrophobicContact CG1-CB 4.15Å; I405-V439 PolarHBondContact N-O 2.88Å; I405-V439 PolarHBondContact O-N 3.27Å; V439-I441 HydrophobicContact CG1-CG1 4.19Å; V439-V446 HydrophobicContact CG1-CG1 3.71Å; V439-V446 HydrophobicContact CG1-CG2 4.21Å; V439-Y448 CarbonylContact C-O 3.6Å; V439-Y448 VanDerWaalsContact CA-O 3.31Å; V439-Y448 WeakPolarHBondContact CA-O 3.39Å; V439-E449 HydrophobicContact CG1-CB 4.43Å; V439-E449 HydrophobicContact CG2-CB 4.5Å; V439-E449 HydrophobicContact CG2-CG 4.11Å |
| 440 | T | 98.9 | Very high | 97.6 | Very high | 0 Ų | 0 | 33.6 Ų | 33.6 | 0% | 0 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112 | 128.3 | 169.8 | -54.4 | 0 | 0 | 0 | 0 | 109.1 | L91 T96 V404 V447 Y448 | L91-T440 HydrophobicContact CB-CG2 4.48Å; L91-T440 HydrophobicContact CD2-CG2 3.76Å; L91-T440 VanDerWaalsContact O-CB 3.31Å; L91-T440 WeakPolarHBondContact O-CB 3.05Å; L91-T440 WeakPolarHBondContact O-CG2 3.42Å; L91-T440 PolarHBondContact O-OG1 2.92Å; T96-T440 HydrophobicContact CG2-CG2 3.63Å; V404-T440 HydrophobicContact CG2-CG2 4.29Å; T440-V447 HydrophobicContact CG2-CG2 4.17Å; T440-V447 VanDerWaalsContact O-CG2 3.25Å; T440-V447 WeakPolarHBondContact O-CG2 3.26Å; T440-V447 PolarHBondContact O-N 3.43Å; T440-Y448 PolarHBondContact N-O 3.07Å; T440-Y448 PolarHBondContact O-N 2.96Å |
| 441 | I | 98.8 | Very high | 97.2 | Very high | 0 Ų | 0 | 33.5 Ų | 33.5 | 0% | 0 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.6 | 125.3 | 178.4 | -56 | 166.5 | 0 | 0 | 0 | 106.9 | L7 I9 L52 A401 D402 I403 V439 K445 V446 | L7-I441 HydrophobicContact CD1-CD1 4.47Å; L7-I441 HydrophobicContact CD1-CG2 3.94Å; I9-I441 HydrophobicContact CD1-CD1 3.54Å; I9-I441 HydrophobicContact CG1-CD1 4.04Å; L52-I441 HydrophobicContact CD1-CD1 3.7Å; L52-I441 HydrophobicContact CD1-CG1 4.39Å; A401-I441 WeakPolarHBondContact O-CG2 3.36Å; D402-I441 CarbonylContact C-O 3.57Å; D402-I441 VanDerWaalsContact CA-O 3.32Å; D402-I441 WeakPolarHBondContact CA-O 3.32Å; I403-I441 HydrophobicContact CB-CB 4.32Å; I403-I441 HydrophobicContact CB-CD1 4.34Å; I403-I441 PolarHBondContact N-O 3.21Å; I403-I441 WeakPolarHBondContact O-CA 3.2Å; I403-I441 WeakPolarHBondContact O-CB 3.36Å; I403-I441 PolarHBondContact O-N 3.21Å; V439-I441 HydrophobicContact CG1-CG1 4.19Å; I441-K445 CarbonylContact C-O 3.46Å; I441-K445 VanDerWaalsContact CA-O 3.23Å; I441-K445 WeakPolarHBondContact CA-O 3.42Å; I441-K445 WeakPolarHBondContact CG2-O 3.32Å; I441-V446 HydrophobicContact CG1-CG2 4.19Å |
| 442 | S | 98.6 | Very high | 97.1 | Very high | 5 Ų | 5 | 36.5 Ų | 36.5 | 4% | 0.035 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.8 | 128.1 | 177.1 | 175.6 | 0 | 0 | 0 | 0 | 108 | G444 K445 | S442-G444 PolarHBondContact O-N 3.26Å; S442-G444 VanDerWaalsContact O-N 3.13Å; S442-K445 PolarHBondContact N-O 2.84Å; S442-K445 PolarHBondContact O-N 2.7Å |
| 443 | R | 97.5 | Very high | 97 | Very high | 87 Ų | 87 | 35.2 Ų | 35.2 | 33% | 0.328 | 20% | 0.197 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 51.7 | 36.9 | -177.8 | -48.5 | -178.8 | 63.1 | 68.8 | 13.9 | 112.6 | G30 D128 A401 D402 K445 | G30-R443 VanDerWaalsContact CA-O 3.25Å; G30-R443 WeakPolarHBondContact CA-O 3.45Å; D128-R443 VanDerWaalsContact CG-NH1 3.31Å; D128-R443 WeakPolarHBondContact OD1-CD 3.43Å; D128-R443 IonicContact OD1-CZ 2.73Å; D128-R443 IonicContact OD1-NE 2.8Å; D128-R443 IonicContact OD1-NH1 3.05Å; D128-R443 PolarHBondContact OD1-NH1 2.84Å; D128-R443 IonicContact OD2-NH1 4Å; D128-R443 PolarHBondContact OD2-NH1 3.12Å; A401-R443 PolarHBondContact O-N 2.94Å; D402-R443 PolarHBondContact OD1-N 3.39Å; R443-K445 VanDerWaalsContact C-N 3.31Å; R443-K445 PolarHBondContact O-N 3.31Å |
| 444 | G | 97.1 | Very high | 97 | Very high | 0 Ų | 0 | 39 Ų | 39 | 0% | 0 | 22% | 0.224 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 66.8 | 23.1 | -178.7 | 0 | 0 | 0 | 0 | 0 | 115.8 | S5 L7 A401 S442 | S5-G444 PolarHBondContact OG-O 2.87Å; L7-G444 WeakPolarHBondContact CD1-O 3.4Å; A401-G444 PolarHBondContact O-N 3.23Å; S442-G444 PolarHBondContact O-N 3.26Å; S442-G444 VanDerWaalsContact O-N 3.13Å |
| 445 | K | 97.1 | Very high | 96.8 | Very high | 102 Ų | 102 | 37.7 Ų | 37.7 | 44% | 0.443 | 22% | 0.219 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.6 | 136.5 | 170.1 | -60.4 | 178.9 | -175.6 | 176 | 0 | 109.3 | I441 S442 R443 V447 D459 | I441-K445 CarbonylContact C-O 3.46Å; I441-K445 VanDerWaalsContact CA-O 3.23Å; I441-K445 WeakPolarHBondContact CA-O 3.42Å; I441-K445 WeakPolarHBondContact CG2-O 3.32Å; S442-K445 PolarHBondContact N-O 2.84Å; S442-K445 PolarHBondContact O-N 2.7Å; R443-K445 VanDerWaalsContact C-N 3.31Å; R443-K445 PolarHBondContact O-N 3.31Å; K445-V447 HydrophobicContact CB-CG1 4.34Å; K445-V447 PolarHBondContact O-N 3.16Å; K445-D459 IonicContact NZ-OD1 2.78Å |
| 446 | V | 98 | Very high | 96.7 | Very high | 11 Ų | 11 | 42.3 Ų | 42.3 | 7% | 0.067 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -68.7 | 112.6 | 168.6 | 176.7 | 0 | 0 | 0 | 0 | 107.8 | L7 L52 V439 I441 E449 S454 | L7-V446 HydrophobicContact CD1-CG2 4.09Å; L7-V446 HydrophobicContact CD2-CG2 4.47Å; L52-V446 HydrophobicContact CD1-CG2 3.75Å; L52-V446 HydrophobicContact CD2-CG2 4.26Å; V439-V446 HydrophobicContact CG1-CG1 3.71Å; V439-V446 HydrophobicContact CG1-CG2 4.21Å; I441-V446 HydrophobicContact CG1-CG2 4.19Å; V446-E449 HydrophobicContact CG1-CB 3.89Å; V446-S454 WeakPolarHBondContact O-CB 3.49Å |
| 447 | V | 98.4 | Very high | 96.8 | Very high | 5 Ų | 5 | 43.3 Ų | 43.3 | 3% | 0.03 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.2 | -19.9 | -175.1 | -70.9 | 0 | 0 | 0 | 0 | 112.9 | L91 T440 K445 F453 S454 V455 | L91-V447 HydrophobicContact CB-CG2 4.48Å; L91-V447 HydrophobicContact CD1-CB 4.14Å; L91-V447 HydrophobicContact CD1-CG2 3.85Å; L91-V447 HydrophobicContact CD2-CG2 3.65Å; L91-V447 HydrophobicContact CG-CG2 4.21Å; T440-V447 HydrophobicContact CG2-CG2 4.17Å; T440-V447 VanDerWaalsContact O-CG2 3.25Å; T440-V447 WeakPolarHBondContact O-CG2 3.26Å; T440-V447 PolarHBondContact O-N 3.43Å; K445-V447 HydrophobicContact CB-CG1 4.34Å; K445-V447 PolarHBondContact O-N 3.16Å; V447-F453 CarbonylContact O-C 3.56Å; V447-F453 WeakPolarHBondContact O-CA 3.39Å; V447-S454 PolarHBondContact O-N 3.02Å; V447-V455 HydrophobicContact CB-CB 3.98Å; V447-V455 HydrophobicContact CB-CG2 4.42Å; V447-V455 HydrophobicContact CG1-CB 3.92Å; V447-V455 HydrophobicContact CG1-CG2 3.98Å |
| 448 | Y | 98.5 | Very high | 96.8 | Very high | 29 Ų | 29 | 43.7 Ų | 43.7 | 11% | 0.114 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.1 | 129 | 173.4 | -179.5 | -102.7 | 0 | 0 | 0 | 109.3 | A92 V439 T440 V452 F453 | A92-Y448 HydrophobicContact CB-CD2 4.14Å; A92-Y448 HydrophobicContact CB-CE1 4.4Å; A92-Y448 HydrophobicContact CB-CE2 3.85Å; V439-Y448 CarbonylContact C-O 3.6Å; V439-Y448 VanDerWaalsContact CA-O 3.31Å; V439-Y448 WeakPolarHBondContact CA-O 3.39Å; T440-Y448 PolarHBondContact N-O 3.07Å; T440-Y448 PolarHBondContact O-N 2.96Å; Y448-V452 WeakPolarHBondContact CA-O 3.33Å; Y448-F453 AromaticContact CD2-CD1 3.97Å; Y448-F453 HydrophobicContact CD2-CD1 3.97Å; Y448-F453 HydrophobicContact CD2-CD2 4.46Å; Y448-F453 AromaticContact CD2-CE1 3.76Å; Y448-F453 HydrophobicContact CD2-CE1 3.76Å; Y448-F453 HydrophobicContact CD2-CE2 4.29Å; Y448-F453 HydrophobicContact CD2-CG 4.33Å; Y448-F453 AromaticContact CD2-CZ 3.96Å; Y448-F453 HydrophobicContact CD2-CZ 3.96Å; Y448-F453 HydrophobicContact CE2-CE1 4.38Å; Y448-F453 HydrophobicContact CE2-CE2 4.27Å; Y448-F453 HydrophobicContact CE2-CZ 4.12Å |
| 449 | E | 97.3 | Very high | 96.7 | Very high | 72 Ų | 72 | 43.2 Ų | 43.2 | 34% | 0.336 | 26% | 0.261 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -154.7 | 131.4 | 176.2 | 176.7 | 178.3 | -116.2 | 0 | 0 | 109 | R50 V439 V446 G451 V452 | R50-E449 IonicContact CZ-OE2 2.83Å; R50-E449 IonicContact NH2-OE1 2.77Å; R50-E449 PolarHBondContact NH2-OE1 3.17Å; R50-E449 IonicContact NH2-OE2 2.68Å; R50-E449 PolarHBondContact NH2-OE2 2.94Å; V439-E449 HydrophobicContact CG1-CB 4.43Å; V439-E449 HydrophobicContact CG2-CB 4.5Å; V439-E449 HydrophobicContact CG2-CG 4.11Å; V446-E449 HydrophobicContact CG1-CB 3.89Å; E449-G451 PolarHBondContact O-N 2.99Å; E449-G451 VanDerWaalsContact O-N 3.14Å; E449-V452 PolarHBondContact N-O 3.38Å; E449-V452 VanDerWaalsContact N-O 3.08Å; E449-V452 WeakPolarHBondContact O-CB 3.36Å; E449-V452 PolarHBondContact O-N 3.31Å |
| 450 | A | 88.7 | Confident | 96.7 | Very high | 93 Ų | 93 | 42.8 Ų | 42.8 | 77% | 0.769 | 26% | 0.259 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 50.6 | 39.4 | 176.2 | 0 | 0 | 0 | 0 | 0 | 114.4 | V452 | A450-V452 VanDerWaalsContact C-N 3.28Å; A450-V452 PolarHBondContact O-N 3.42Å |
| 451 | G | 89.9 | Confident | 96.7 | Very high | 43 Ų | 43 | 47.5 Ų | 47.5 | 44% | 0.443 | 28% | 0.279 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 80.1 | 1.6 | -179.1 | 0 | 0 | 0 | 0 | 0 | 115.2 | E449 | E449-G451 PolarHBondContact O-N 2.99Å; E449-G451 VanDerWaalsContact O-N 3.14Å |
| 452 | V | 96.4 | Very high | 96.7 | Very high | 92 Ų | 92 | 48.9 Ų | 48.9 | 56% | 0.558 | 29% | 0.286 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -107.9 | 129.3 | -177.2 | -176.8 | 0 | 0 | 0 | 0 | 110.6 | Y448 E449 A450 | Y448-V452 WeakPolarHBondContact CA-O 3.33Å; E449-V452 PolarHBondContact N-O 3.38Å; E449-V452 VanDerWaalsContact N-O 3.08Å; E449-V452 WeakPolarHBondContact O-CB 3.36Å; E449-V452 PolarHBondContact O-N 3.31Å; A450-V452 VanDerWaalsContact C-N 3.28Å; A450-V452 PolarHBondContact O-N 3.42Å |
| 453 | F | 97.4 | Very high | 96.7 | Very high | 46 Ų | 46 | 48.8 Ų | 48.8 | 20% | 0.202 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.4 | 134.6 | 172.9 | -68.8 | -83.2 | 0 | 0 | 0 | 111.7 | K88 A92 H420 V447 Y448 V455 | K88-F453 HydrophobicContact CB-CD1 4.46Å; K88-F453 HydrophobicContact CB-CE1 3.93Å; K88-F453 HydrophobicContact CB-CZ 4.19Å; K88-F453 HydrophobicContact CG-CD1 4.45Å; K88-F453 HydrophobicContact CG-CE1 4.41Å; K88-F453 VanDerWaalsContact O-CE1 3.23Å; K88-F453 WeakPolarHBondContact O-CE1 3.27Å; A92-F453 HydrophobicContact CB-CE1 4.14Å; A92-F453 HydrophobicContact CB-CZ 3.79Å; H420-F453 HydrophobicContact CB-CZ 4.17Å; H420-F453 AromaticContact CD2-CE2 3.42Å; H420-F453 VanDerWaalsContact CD2-CE2 3.42Å; H420-F453 WeakPolarHBondContact CD2-CE2 3.49Å; H420-F453 AromaticContact CD2-CZ 3.77Å; H420-F453 AromaticContact CG-CZ 3.9Å; H420-F453 AromaticContact NE2-CE2 3.91Å; V447-F453 CarbonylContact O-C 3.56Å; V447-F453 WeakPolarHBondContact O-CA 3.39Å; Y448-F453 AromaticContact CD2-CD1 3.97Å; Y448-F453 HydrophobicContact CD2-CD1 3.97Å; Y448-F453 HydrophobicContact CD2-CD2 4.46Å; Y448-F453 AromaticContact CD2-CE1 3.76Å; Y448-F453 HydrophobicContact CD2-CE1 3.76Å; Y448-F453 HydrophobicContact CD2-CE2 4.29Å; Y448-F453 HydrophobicContact CD2-CG 4.33Å; Y448-F453 AromaticContact CD2-CZ 3.96Å; Y448-F453 HydrophobicContact CD2-CZ 3.96Å; Y448-F453 HydrophobicContact CE2-CE1 4.38Å; Y448-F453 HydrophobicContact CE2-CE2 4.27Å; Y448-F453 HydrophobicContact CE2-CZ 4.12Å; F453-V455 HydrophobicContact CB-CG1 4.43Å; F453-V455 HydrophobicContact CD1-CG1 4.26Å |
| 454 | S | 96.7 | Very high | 96.8 | Very high | 80 Ų | 80 | 48.3 Ų | 48.3 | 56% | 0.559 | 29% | 0.293 | S | S | * | . | trans | -125.4 | 52.7 | 172.5 | -65.6 | 0 | 0 | 0 | 0 | 110.3 | V446 V447 | V446-S454 WeakPolarHBondContact O-CB 3.49Å; V447-S454 PolarHBondContact O-N 3.02Å | ||
| 455 | V | 95.7 | Very high | 96.8 | Very high | 22 Ų | 22 | 48.4 Ų | 48.4 | 13% | 0.133 | 29% | 0.293 | C | S | . | . | trans | -139 | 147.1 | -176.6 | 67.4 | 0 | 0 | 0 | 0 | 110.8 | K88 L91 C126 V447 F453 D459 | K88-V455 HydrophobicContact CG-CG1 4.4Å; L91-V455 HydrophobicContact CD1-CG1 4.2Å; L91-V455 HydrophobicContact CD1-CG2 4.39Å; C126-V455 HydrophobicContact CB-CB 4.45Å; C126-V455 HydrophobicContact CB-CG1 3.91Å; C126-V455 HydrophobicContact CB-CG2 3.65Å; C126-V455 WeakPolarHBondContact O-CG2 3.34Å; V447-V455 HydrophobicContact CB-CB 3.98Å; V447-V455 HydrophobicContact CB-CG2 4.42Å; V447-V455 HydrophobicContact CG1-CB 3.92Å; V447-V455 HydrophobicContact CG1-CG2 3.98Å; F453-V455 HydrophobicContact CB-CG1 4.43Å; F453-V455 HydrophobicContact CD1-CG1 4.26Å; V455-D459 HydrophobicContact CG2-CB 3.94Å | ||
| 456 | T | 95.3 | Very high | 96.9 | Very high | 98 Ų | 98 | 51.2 Ų | 51.2 | 60% | 0.601 | 31% | 0.306 | S | S | * | . | trans | -112.3 | 151.9 | 178.1 | -50 | 0 | 0 | 0 | 0 | 110.3 | G458 D459 | T456-G458 PolarHBondContact O-N 3.33Å; T456-D459 PolarHBondContact N-OD2 3.26Å; T456-D459 WeakPolarHBondContact O-CB 3.34Å; T456-D459 PolarHBondContact O-N 3.47Å | ||
| 457 | A | 97.6 | Very high | 96.9 | Very high | 45 Ų | 45 | 52.6 Ų | 52.6 | 37% | 0.372 | 32% | 0.315 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -54.7 | 132.3 | 171.2 | 0 | 0 | 0 | 0 | 0 | 111 | P123 K124 | P123-A457 CarbonylContact O-C 3.57Å; K124-A457 WeakPolarHBondContact O-CA 3.28Å |
| 458 | G | 97.6 | Very high | 96.9 | Very high | 15 Ų | 15 | 56.4 Ų | 56.4 | 16% | 0.155 | 33% | 0.331 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 82.7 | 4.5 | -179.2 | 0 | 0 | 0 | 0 | 0 | 115.2 | P123 V125 T456 G460 K461 | P123-G458 PolarHBondContact O-N 3.06Å; V125-G458 CarbonylContact O-C 3.46Å; V125-G458 VanDerWaalsContact O-CA 3.3Å; V125-G458 WeakPolarHBondContact O-CA 3.43Å; V125-G458 PolarHBondContact O-N 3.44Å; T456-G458 PolarHBondContact O-N 3.33Å; G458-G460 VanDerWaalsContact C-N 3.28Å; G458-K461 PolarHBondContact O-NZ 3.45Å |
| 459 | D | 97.4 | Very high | 96.9 | Very high | 51 Ų | 51 | 55.1 Ų | 55.1 | 27% | 0.273 | 33% | 0.326 | S | S | . | . | trans | -64 | -35.4 | 172.1 | -90.2 | -31.5 | 0 | 0 | 0 | 111.9 | V125 K445 V455 T456 | V125-D459 PolarHBondContact O-N 2.92Å; K445-D459 IonicContact NZ-OD1 2.78Å; V455-D459 HydrophobicContact CG2-CB 3.94Å; T456-D459 PolarHBondContact N-OD2 3.26Å; T456-D459 WeakPolarHBondContact O-CB 3.34Å; T456-D459 PolarHBondContact O-N 3.47Å | ||
| 460 | G | 98.2 | Very high | 97 | Very high | 2 Ų | 2 | 59 Ų | 59 | 2% | 0.021 | 35% | 0.345 | C | S | . | . | S | Bend | trans | -63.8 | 159.5 | 173.5 | 0 | 0 | 0 | 0 | 0 | 112.9 | V125 C127 G458 | V125-G460 PolarHBondContact O-N 2.86Å; C127-G460 VanDerWaalsContact O-CA 3.27Å; C127-G460 WeakPolarHBondContact O-CA 3.38Å; G458-G460 VanDerWaalsContact C-N 3.28Å |
| 461 | K | 98.6 | Very high | 97.4 | Very high | 99 Ų | 99 | 59 Ų | 59 | 43% | 0.43 | 33% | 0.325 | S | S | . | . | trans | -129.3 | 144.9 | 177.2 | -58.3 | -65.2 | 157.1 | -134.1 | 0 | 112.1 | D128 Y129 G458 I463 | D128-K461 WeakPolarHBondContact CA-O 3.36Å; D128-K461 PolarHBondContact OD1-N 2.86Å; Y129-K461 PolarHBondContact N-O 3.39Å; G458-K461 PolarHBondContact O-NZ 3.45Å; K461-I463 HydrophobicContact CB-CD1 4.33Å; K461-I463 PolarHBondContact O-N 3.15Å | ||
| 462 | F | 98.9 | Very high | 97.8 | Very high | 29 Ų | 29 | 57 Ų | 57 | 13% | 0.127 | 30% | 0.304 | C | S | . | . | B | Isolated β-bridge | trans | -62.8 | 127.1 | 164.9 | 177.3 | -102.8 | 0 | 0 | 0 | 109.8 | F114 Y129 L131 K153 P464 | F114-F462 HydrophobicContact CE2-CE2 4.06Å; F114-F462 AromaticContact CE2-CZ 3.87Å; F114-F462 HydrophobicContact CE2-CZ 3.87Å; F114-F462 HydrophobicContact CZ-CE1 4.31Å; F114-F462 HydrophobicContact CZ-CE2 4.24Å; F114-F462 AromaticContact CZ-CZ 3.83Å; F114-F462 HydrophobicContact CZ-CZ 3.83Å; Y129-F462 HydrophobicContact CD1-CB 4.41Å; Y129-F462 HydrophobicContact CD2-CD2 4.47Å; Y129-F462 HydrophobicContact CE1-CB 3.72Å; Y129-F462 HydrophobicContact CE1-CD2 4.45Å; Y129-F462 AromaticContact CE2-CD2 3.95Å; Y129-F462 HydrophobicContact CE2-CD2 3.95Å; Y129-F462 AromaticContact CZ-CD2 3.95Å; Y129-F462 CarbonylContact O-C 3.5Å; Y129-F462 WeakPolarHBondContact O-CA 3.45Å; L131-F462 HydrophobicContact CB-CE2 4.36Å; L131-F462 HydrophobicContact CG-CE2 4.23Å; K153-F462 WeakPolarHBondContact O-CE1 3.3Å; K153-F462 WeakPolarHBondContact O-CZ 3.47Å; F462-P464 HydrophobicContact CE1-CB 4.06Å; F462-P464 WeakPolarHBondContact O-CD 3.18Å |
| 463 | I | 98.8 | Very high | 97.9 | Very high | 4 Ų | 4 | 52.9 Ų | 52.9 | 2% | 0.021 | 28% | 0.279 | C | S | . | . | trans | -106.3 | 106.3 | 179.2 | -53.7 | -52 | 0 | 0 | 0 | 109.3 | M97 D128 Y129 S130 L388 K461 | M97-I463 HydrophobicContact CE-CB 4.01Å; M97-I463 HydrophobicContact CE-CG1 4.25Å; D128-I463 HydrophobicContact CB-CD1 4.2Å; D128-I463 HydrophobicContact CB-CG1 3.84Å; D128-I463 WeakPolarHBondContact OD2-CD1 3.48Å; Y129-I463 PolarHBondContact O-N 3.28Å; S130-I463 WeakPolarHBondContact CB-O 3.37Å; S130-I463 PolarHBondContact OG-O 3.45Å; L388-I463 HydrophobicContact CD2-CB 4.46Å; L388-I463 HydrophobicContact CD2-CG2 3.44Å; L388-I463 VanDerWaalsContact CD2-CG2 3.44Å; K461-I463 HydrophobicContact CB-CD1 4.33Å; K461-I463 PolarHBondContact O-N 3.15Å | ||
| 464 | P | 98.6 | Very high | 97.9 | Very high | 77 Ų | 77 | 58.4 Ų | 58.4 | 50% | 0.5 | 30% | 0.303 | S | S | . | . | trans | -67.8 | 141.2 | 176.1 | 28.1 | -34.1 | 0 | 0 | 0 | 110.6 | F462 | F462-P464 HydrophobicContact CE1-CB 4.06Å; F462-P464 WeakPolarHBondContact O-CD 3.18Å | ||
| 465 | R | 98.6 | Very high | 97.9 | Very high | 1 Ų | 1 | 58.9 Ų | 58.9 | 0% | 0.004 | 29% | 0.292 | C | S | . | . | trans | -116.3 | 122.7 | -177 | -49.6 | -170.3 | -52.6 | -86.6 | -5.2 | 109.6 | S130 L131 G154 N156 S157 F386 L388 | S130-R465 PolarHBondContact OG-NH1 3.45Å; L131-R465 VanDerWaalsContact O-CZ 3.3Å; L131-R465 PolarHBondContact O-NH1 2.89Å; L131-R465 PolarHBondContact O-NH2 3.01Å; G154-R465 CarbonylContact C-O 3.43Å; G154-R465 PolarHBondContact O-N 2.68Å; N156-R465 HydrophobicContact CB-CB 4.37Å; N156-R465 WeakPolarHBondContact ND2-CB 3.46Å; N156-R465 PolarHBondContact OD1-NE 3.19Å; N156-R465 PolarHBondContact OD1-NH2 3.46Å; S157-R465 PolarHBondContact OG-NH2 3.26Å; F386-R465 WeakPolarHBondContact O-CB 3.32Å; F386-R465 VanDerWaalsContact O-CD 3.32Å; F386-R465 WeakPolarHBondContact O-CD 3.18Å; L388-R465 HydrophobicContact CD2-CG 3.98Å; L388-R465 HydrophobicContact CG-CG 4.42Å | ||
| 466 | K | 98.5 | Very high | 98.1 | Very high | 162 Ų | 162 | 58 Ų | 58 | 70% | 0.704 | 29% | 0.287 | S | S | * | . | trans | -71.2 | 147.1 | 179.9 | -67.3 | 179.8 | -179.9 | 179.1 | 0 | 110.5 | N156 N387 | N156-K466 PolarHBondContact ND2-O 2.89Å; N387-K466 PolarHBondContact ND2-O 3.11Å | ||
| 467 | P | 98.7 | Very high | 98.2 | Very high | 39 Ų | 39 | 58.6 Ų | 58.6 | 25% | 0.253 | 28% | 0.281 | S | S | . | . | S | Bend | trans | -68.5 | 175.8 | 171 | 29.5 | -34.6 | 0 | 0 | 0 | 112.1 | V150 I185 G186 N387 A469 | V150-P467 HydrophobicContact CG1-CB 3.55Å; V150-P467 HydrophobicContact CG1-CG 3.64Å; I185-P467 VanDerWaalsContact O-CB 3.26Å; I185-P467 WeakPolarHBondContact O-CB 3.34Å; G186-P467 CarbonylContact O-C 3.54Å; G186-P467 WeakPolarHBondContact O-CA 3.43Å; N387-P467 PolarHBondContact ND2-O 2.83Å; P467-A469 PolarHBondContact O-N 3.23Å |
| 468 | F | 98.6 | Very high | 98.2 | Very high | 85 Ų | 85 | 61.4 Ų | 61.4 | 37% | 0.373 | 29% | 0.287 | S | S | . | . | S | Bend | trans | 56.2 | 45.2 | 175.8 | -58.6 | -78.3 | 0 | 0 | 0 | 113.7 | E184 G186 E470 Y473 | E184-F468 WeakPolarHBondContact O-CZ 3.27Å; G186-F468 VanDerWaalsContact CA-CD1 3.46Å; G186-F468 PolarHBondContact O-N 3.38Å; F468-E470 PolarHBondContact O-N 3.17Å; F468-Y473 HydrophobicContact CB-CG 4.49Å; F468-Y473 AromaticContact CD1-CD1 3.84Å; F468-Y473 HydrophobicContact CD1-CD1 3.84Å; F468-Y473 HydrophobicContact CD1-CE1 4.12Å; F468-Y473 HydrophobicContact CD1-CG 4.15Å; F468-Y473 HydrophobicContact CE1-CD1 4.44Å; F468-Y473 HydrophobicContact CE1-CE1 4.41Å |
| 469 | A | 98.5 | Very high | 98.2 | Very high | 2 Ų | 2 | 64 Ų | 64 | 2% | 0.017 | 29% | 0.291 | C | S | . | . | trans | -47.7 | 117.4 | 175.8 | 0 | 0 | 0 | 0 | 0 | 110.5 | N387 P467 Y471 I472 Y473 | N387-A469 HydrophobicContact CB-CB 3.73Å; P467-A469 PolarHBondContact O-N 3.23Å; A469-Y471 PolarHBondContact O-N 2.88Å; A469-I472 HydrophobicContact CB-CD1 4.11Å; A469-I472 PolarHBondContact O-N 3.23Å; A469-Y473 PolarHBondContact O-N 3.45Å | ||
| 470 | E | 97.9 | Very high | 98.1 | Very high | 155 Ų | 155 | 64.4 Ų | 64.4 | 72% | 0.724 | 29% | 0.294 | S | S | * | . | H | α-helix | trans | -59.8 | -36.9 | -171.3 | -68.9 | -161.9 | 152.3 | 0 | 0 | 112.3 | F468 I472 Y473 K474 | F468-E470 PolarHBondContact O-N 3.17Å; E470-I472 PolarHBondContact O-N 3.42Å; E470-I472 VanDerWaalsContact O-N 3.1Å; E470-Y473 PolarHBondContact O-N 3.44Å; E470-K474 WeakPolarHBondContact O-CB 3.29Å; E470-K474 PolarHBondContact O-N 3.1Å |
| 471 | Y | 98.3 | Very high | 98 | Very high | 91 Ų | 91 | 71.1 Ų | 71.1 | 36% | 0.357 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -51.4 | -33.6 | 175.1 | -177.4 | -110.8 | 0 | 0 | 0 | 113 | Y269 K384 I385 A469 | Y269-Y471 AromaticContact CE1-CE1 3.75Å; Y269-Y471 HydrophobicContact CE1-CE1 3.75Å; K384-Y471 HydrophobicContact CB-CD1 3.76Å; K384-Y471 HydrophobicContact CB-CD2 4.02Å; K384-Y471 HydrophobicContact CB-CE1 4.15Å; K384-Y471 HydrophobicContact CB-CE2 4.4Å; K384-Y471 HydrophobicContact CB-CG 3.68Å; K384-Y471 HydrophobicContact CD-CD2 4.08Å; K384-Y471 HydrophobicContact CD-CE2 4.01Å; K384-Y471 HydrophobicContact CG-CD2 4.41Å; I385-Y471 HydrophobicContact CG1-CD1 3.93Å; I385-Y471 HydrophobicContact CG1-CE1 3.73Å; A469-Y471 PolarHBondContact O-N 2.88Å |
| 472 | I | 97.7 | Very high | 97.9 | Very high | 2 Ų | 2 | 70.8 Ų | 70.8 | 1% | 0.01 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -96.8 | -53.9 | 179.8 | -63 | 165 | 0 | 0 | 0 | 110.6 | I188 P243 V267 Y269 I385 A469 E470 K474 R475 I476 | I188-I472 HydrophobicContact CB-CD1 4.33Å; I188-I472 HydrophobicContact CD1-CD1 3.82Å; P243-I472 HydrophobicContact CB-CG2 3.26Å; P243-I472 HydrophobicContact CG-CG2 3.54Å; V267-I472 HydrophobicContact CG1-CG2 4.27Å; Y269-I472 HydrophobicContact CE2-CG1 4.08Å; I385-I472 HydrophobicContact CB-CD1 4.41Å; I385-I472 HydrophobicContact CG2-CD1 4.06Å; I385-I472 WeakPolarHBondContact O-CD1 3.5Å; A469-I472 HydrophobicContact CB-CD1 4.11Å; A469-I472 PolarHBondContact O-N 3.23Å; E470-I472 PolarHBondContact O-N 3.42Å; E470-I472 VanDerWaalsContact O-N 3.1Å; I472-K474 PolarHBondContact O-N 2.88Å; I472-R475 WeakPolarHBondContact O-CG 3.49Å; I472-I476 HydrophobicContact CG2-CD1 3.96Å |
| 473 | Y | 98.6 | Very high | 97.6 | Very high | 6 Ų | 6 | 73.4 Ų | 73.4 | 2% | 0.024 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -83 | -14.6 | -163.6 | -82.9 | -91.3 | 0 | 0 | 0 | 114.5 | C182 G186 A187 P243 F468 A469 E470 R475 I476 K477 | C182-Y473 PolarHBondContact O-OH 3.39Å; G186-Y473 VanDerWaalsContact C-CZ 3.43Å; G186-Y473 VanDerWaalsContact CA-CZ 3.47Å; G186-Y473 WeakPolarHBondContact CA-OH 3.49Å; G186-Y473 WeakPolarHBondContact O-CE2 3.41Å; A187-Y473 VanDerWaalsContact C-OH 3.23Å; A187-Y473 PolarHBondContact N-OH 3.16Å; A187-Y473 PolarHBondContact O-OH 2.89Å; P243-Y473 HydrophobicContact CG-CE1 4.49Å; P243-Y473 HydrophobicContact CG-CE2 3.96Å; F468-Y473 HydrophobicContact CB-CG 4.49Å; F468-Y473 AromaticContact CD1-CD1 3.84Å; F468-Y473 HydrophobicContact CD1-CD1 3.84Å; F468-Y473 HydrophobicContact CD1-CE1 4.12Å; F468-Y473 HydrophobicContact CD1-CG 4.15Å; F468-Y473 HydrophobicContact CE1-CD1 4.44Å; F468-Y473 HydrophobicContact CE1-CE1 4.41Å; A469-Y473 PolarHBondContact O-N 3.45Å; E470-Y473 PolarHBondContact O-N 3.44Å; Y473-R475 VanDerWaalsContact C-N 3.33Å; Y473-R475 PolarHBondContact O-N 2.94Å; Y473-I476 HydrophobicContact CD1-CB 4.31Å; Y473-I476 HydrophobicContact CD1-CD1 4.02Å; Y473-I476 HydrophobicContact CD1-CG2 4.37Å; Y473-I476 HydrophobicContact CE1-CD1 4.12Å; Y473-I476 HydrophobicContact CG-CD1 4.36Å; Y473-I476 PolarHBondContact O-N 3.26Å; Y473-K477 WeakPolarHBondContact O-CG 3.23Å; Y473-K477 PolarHBondContact O-N 3Å |
| 474 | K | 98 | Very high | 97.3 | Very high | 162 Ų | 162 | 77.8 Ų | 77.8 | 70% | 0.704 | 38% | 0.379 | S | S | * | . | H | α-helix | trans | -58.5 | -45.4 | 177.9 | -172.4 | 173.1 | -177.9 | 176.7 | 0 | 111.6 | E470 I472 Q478 | E470-K474 WeakPolarHBondContact O-CB 3.29Å; E470-K474 PolarHBondContact O-N 3.1Å; I472-K474 PolarHBondContact O-N 2.88Å; K474-Q478 PolarHBondContact O-N 2.93Å |
| 475 | R | 96.9 | Very high | 97.1 | Very high | 90 Ų | 90 | 79.9 Ų | 79.9 | 34% | 0.34 | 39% | 0.393 | S | S | . | . | H | α-helix | trans | -72.6 | -31.5 | 176.2 | 59.9 | 176.8 | 171 | 169.8 | -2.3 | 113.7 | V267 Y269 I472 Y473 Q478 R479 | V267-R475 VanDerWaalsContact CG1-NH2 3.33Å; V267-R475 HydrophobicContact CG2-CG 4.24Å; Y269-R475 PolarHBondContact OH-NH2 3.07Å; I472-R475 WeakPolarHBondContact O-CG 3.49Å; Y473-R475 VanDerWaalsContact C-N 3.33Å; Y473-R475 PolarHBondContact O-N 2.94Å; R475-Q478 PolarHBondContact O-N 2.85Å; R475-R479 WeakPolarHBondContact O-CB 3.21Å; R475-R479 PolarHBondContact O-N 3.4Å |
| 476 | I | 98.1 | Very high | 97 | Very high | 2 Ų | 2 | 85.7 Ų | 85.7 | 1% | 0.01 | 43% | 0.429 | C | S | . | . | H | α-helix | trans | -67.2 | -47.5 | 179.4 | -60.9 | -178 | 0 | 0 | 0 | 110.4 | N241 P243 V267 I472 Y473 Q478 R479 D480 | N241-I476 PolarHBondContact ND2-O 2.9Å; N241-I476 WeakPolarHBondContact O-CG2 3.45Å; P243-I476 HydrophobicContact CB-CD1 3.8Å; P243-I476 VanDerWaalsContact CD-CD1 3.46Å; P243-I476 HydrophobicContact CG-CD1 3.61Å; V267-I476 HydrophobicContact CG1-CD1 4.13Å; V267-I476 HydrophobicContact CG1-CG1 4.31Å; V267-I476 HydrophobicContact CG2-CG1 4.29Å; I472-I476 HydrophobicContact CG2-CD1 3.96Å; Y473-I476 HydrophobicContact CD1-CB 4.31Å; Y473-I476 HydrophobicContact CD1-CD1 4.02Å; Y473-I476 HydrophobicContact CD1-CG2 4.37Å; Y473-I476 HydrophobicContact CE1-CD1 4.12Å; Y473-I476 HydrophobicContact CG-CD1 4.36Å; Y473-I476 PolarHBondContact O-N 3.26Å; I476-Q478 VanDerWaalsContact C-N 3.29Å; I476-Q478 PolarHBondContact O-N 3.27Å; I476-R479 PolarHBondContact O-N 2.97Å; I476-R479 VanDerWaalsContact O-N 3.09Å; I476-D480 PolarHBondContact O-N 3.13Å |
| 477 | K | 97.5 | Very high | 96.9 | Very high | 112 Ų | 112 | 83.6 Ų | 83.6 | 49% | 0.487 | 43% | 0.431 | S | S | . | . | H | α-helix | trans | -57.1 | -43.7 | 176.6 | -72.3 | 176.1 | -179.8 | 180 | 0 | 111.5 | Y473 D480 Q481 | Y473-K477 WeakPolarHBondContact O-CG 3.23Å; Y473-K477 PolarHBondContact O-N 3Å; K477-D480 PolarHBondContact O-N 2.81Å; K477-Q481 WeakPolarHBondContact O-CG 3.43Å; K477-Q481 PolarHBondContact O-N 3.48Å |
| 478 | Q | 98 | Very high | 96.8 | Very high | 104 Ų | 104 | 86.2 Ų | 86.2 | 49% | 0.486 | 45% | 0.447 | S | S | . | . | H | α-helix | trans | -63.5 | -44.3 | 175.5 | -171.6 | 62.7 | 40 | 0 | 0 | 111.6 | K474 R475 I476 D480 Q481 T482 | K474-Q478 PolarHBondContact O-N 2.93Å; R475-Q478 PolarHBondContact O-N 2.85Å; I476-Q478 VanDerWaalsContact C-N 3.29Å; I476-Q478 PolarHBondContact O-N 3.27Å; Q478-D480 VanDerWaalsContact C-N 3.34Å; Q478-D480 PolarHBondContact O-N 2.84Å; Q478-Q481 WeakPolarHBondContact O-CB 3.29Å; Q478-Q481 PolarHBondContact O-N 2.89Å; Q478-Q481 VanDerWaalsContact O-N 3.16Å; Q478-T482 PolarHBondContact O-N 3.42Å; Q478-T482 VanDerWaalsContact O-OG1 3.12Å; Q478-T482 PolarHBondContact O-OG1 3.14Å; Q478-T482 VanDerWaalsContact NE2-CG2 3.25Å; Q478-T482 HydrophobicContact CG-CG2 4.4Å |
| 479 | R | 97.3 | Very high | 96.7 | Very high | 68 Ų | 68 | 91.3 Ų | 91.3 | 26% | 0.257 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -61.8 | -40.8 | 179.5 | -169.9 | -176.8 | -59.7 | 164.4 | -14.1 | 112.3 | N241 G265 R475 I476 Q481 T482 C483 | N241-R479 VanDerWaalsContact OD1-CD 3.28Å; N241-R479 WeakPolarHBondContact OD1-CD 3.46Å; N241-R479 PolarHBondContact OD1-NH1 2.84Å; G265-R479 PolarHBondContact O-NH2 2.83Å; R475-R479 WeakPolarHBondContact O-CB 3.21Å; R475-R479 PolarHBondContact O-N 3.4Å; I476-R479 PolarHBondContact O-N 2.97Å; I476-R479 VanDerWaalsContact O-N 3.09Å; R479-Q481 VanDerWaalsContact C-N 3.25Å; R479-Q481 PolarHBondContact O-N 3.45Å; R479-T482 PolarHBondContact O-N 2.9Å; R479-C483 HydrophobicContact CG-CB 3.99Å; R479-C483 VanDerWaalsContact O-CB 3.25Å; R479-C483 WeakPolarHBondContact O-CB 3.36Å; R479-C483 PolarHBondContact O-N 2.95Å |
| 480 | D | 96.2 | Very high | 96.6 | Very high | 61 Ų | 61 | 100.6 Ų | 100.6 | 33% | 0.326 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -58.7 | -40.1 | 175.9 | -73.9 | -20.8 | 0 | 0 | 0 | 111.3 | K183 N241 I476 K477 Q478 T484 | K183-D480 VanDerWaalsContact CE-OD1 3.26Å; K183-D480 WeakPolarHBondContact CE-OD1 3.5Å; K183-D480 VanDerWaalsContact CE-OD2 3.3Å; K183-D480 WeakPolarHBondContact CE-OD2 3.45Å; K183-D480 VanDerWaalsContact NZ-CG 3.28Å; K183-D480 IonicContact NZ-OD1 2.75Å; K183-D480 PolarHBondContact NZ-OD1 3.26Å; K183-D480 IonicContact NZ-OD2 2.86Å; K183-D480 PolarHBondContact NZ-OD2 3.1Å; N241-D480 PolarHBondContact ND2-OD1 2.99Å; I476-D480 PolarHBondContact O-N 3.13Å; K477-D480 PolarHBondContact O-N 2.81Å; Q478-D480 VanDerWaalsContact C-N 3.34Å; Q478-D480 PolarHBondContact O-N 2.84Å; D480-T484 PolarHBondContact O-OG1 3.22Å |
| 481 | Q | 95.2 | Very high | 96.5 | Very high | 143 Ų | 143 | 97.4 Ų | 97.4 | 67% | 0.668 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -69.5 | -38.9 | 178.2 | -66.8 | 172.3 | -6.2 | 0 | 0 | 112.8 | K477 Q478 R479 | K477-Q481 WeakPolarHBondContact O-CG 3.43Å; K477-Q481 PolarHBondContact O-N 3.48Å; Q478-Q481 WeakPolarHBondContact O-CB 3.29Å; Q478-Q481 PolarHBondContact O-N 2.89Å; Q478-Q481 VanDerWaalsContact O-N 3.16Å; R479-Q481 VanDerWaalsContact C-N 3.25Å; R479-Q481 PolarHBondContact O-N 3.45Å |
| 482 | T | 96.1 | Very high | 96.4 | Very high | 92 Ų | 92 | 98.3 Ų | 98.3 | 56% | 0.564 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -96.4 | -21.3 | -170.7 | 58.3 | 0 | 0 | 0 | 0 | 114.8 | Q478 R479 | Q478-T482 PolarHBondContact O-N 3.42Å; Q478-T482 VanDerWaalsContact O-OG1 3.12Å; Q478-T482 PolarHBondContact O-OG1 3.14Å; Q478-T482 VanDerWaalsContact NE2-CG2 3.25Å; Q478-T482 HydrophobicContact CG-CG2 4.4Å; R479-T482 PolarHBondContact O-N 2.9Å |
| 483 | C | 94 | Very high | 96.4 | Very high | 84 Ų | 84 | 106.3 Ų | 106.3 | 57% | 0.568 | 56% | 0.555 | S | S | * | * | trans | -113.1 | 19.6 | -172.2 | -58.5 | 0 | 0 | 0 | 0 | 112.9 | R479 P485 | R479-C483 HydrophobicContact CG-CB 3.99Å; R479-C483 VanDerWaalsContact O-CB 3.25Å; R479-C483 WeakPolarHBondContact O-CB 3.36Å; R479-C483 PolarHBondContact O-N 2.95Å; C483-P485 WeakPolarHBondContact O-CD 3.44Å | ||
| 484 | T | 93 | Very high | 96.2 | Very high | 96 Ų | 96 | 115.5 Ų | 115.5 | 59% | 0.589 | 60% | 0.595 | S | S | * | * | trans | -64.7 | 123.1 | 173.2 | -68.1 | 0 | 0 | 0 | 0 | 109.7 | D480 T486 | D480-T484 PolarHBondContact O-OG1 3.22Å; T484-T486 PolarHBondContact O-N 3.03Å | ||
| 485 | P | 94.5 | Very high | 96.1 | Very high | 121 Ų | 121 | 109.7 Ų | 109.7 | 79% | 0.786 | 58% | 0.581 | S | S | * | * | trans | -61.1 | 133.4 | 177.7 | -24.1 | 34.5 | 0 | 0 | 0 | 112 | C483 | C483-P485 WeakPolarHBondContact O-CD 3.44Š| ||
| 486 | T | 95.1 | Very high | 95.9 | Very high | 123 Ų | 123 | 114.3 Ų | 114.3 | 76% | 0.755 | 61% | 0.606 | S | S | * | * | trans | -105.2 | 133.4 | 177 | 54.9 | 0 | 0 | 0 | 0 | 110.6 | T484 | T484-T486 PolarHBondContact O-N 3.03Š| ||
| 487 | P | 96.1 | Very high | 95.7 | Very high | 117 Ų | 117 | 119.8 Ų | 119.8 | 76% | 0.76 | 64% | 0.639 | S | S | * | * | P | Polyproline II helix | trans | -66.5 | 144.8 | 172.8 | 29.5 | -33.9 | 0 | 0 | 0 | 110.2 | E489 | P487-E489 PolarHBondContact O-N 3.13Š|
| 488 | V | 97.5 | Very high | 95.3 | Very high | 95 Ų | 95 | 118.7 Ų | 118.7 | 58% | 0.576 | 65% | 0.651 | S | S | * | * | P | Polyproline II helix | trans | -76.7 | 121.3 | 167.1 | 178.4 | 0 | 0 | 0 | 0 | 107.9 | R490 | V488-R490 HydrophobicContact CG1-CG 4.13Å; V488-R490 PolarHBondContact O-N 3.25Å |
| 489 | E | 96.5 | Very high | 94.8 | Very high | 192 Ų | 192 | 120.4 Ų | 120.4 | 90% | 0.897 | 67% | 0.669 | S | S | * | * | P | Polyproline II helix | trans | -65.6 | 120.7 | 173.4 | -65.3 | -173.8 | 175.6 | 0 | 0 | 110 | P487 | P487-E489 PolarHBondContact O-N 3.13Š|
| 490 | R | 96.4 | Very high | 94.1 | Very high | 196 Ų | 196 | 124.7 Ų | 124.7 | 74% | 0.74 | 70% | 0.696 | S | S | * | * | trans | -130.4 | 145.5 | 178.5 | -64.1 | -174.1 | -179.2 | 89.4 | -1.4 | 109.6 | V488 | V488-R490 HydrophobicContact CG1-CG 4.13Å; V488-R490 PolarHBondContact O-N 3.25Å | ||
| 491 | A | 96 | Very high | 93.1 | Very high | 89 Ų | 89 | 131.4 Ų | 131.4 | 74% | 0.736 | 72% | 0.723 | S | S | * | * | P | Polyproline II helix | trans | -59.4 | 143.6 | 165.5 | 0 | 0 | 0 | 0 | 0 | 109.6 | Y493 | A491-Y493 PolarHBondContact O-N 2.81Š|
| 492 | P | 96.3 | Very high | 91.7 | Very high | 110 Ų | 110 | 129.3 Ų | 129.3 | 71% | 0.714 | 72% | 0.724 | S | S | * | * | P | Polyproline II helix | trans | -54.1 | 135.8 | 174.6 | -26.6 | 34.8 | 0 | 0 | 0 | 111.3 | K494 | P492-K494 PolarHBondContact O-N 3.11Š|
| 493 | Y | 96.1 | Very high | 90 | Very high | 170 Ų | 170 | 136.6 Ų | 136.6 | 67% | 0.667 | 74% | 0.741 | S | S | * | * | P | Polyproline II helix | trans | -62.6 | 124.7 | 176.1 | 174.8 | -103.1 | 0 | 0 | 0 | 110.1 | A491 G495 E496 V497 | A491-Y493 PolarHBondContact O-N 2.81Å; Y493-G495 VanDerWaalsContact CE1-C 3.41Å; Y493-G495 WeakPolarHBondContact CE1-O 3.29Å; Y493-G495 WeakPolarHBondContact OH-CA 3.48Å; Y493-E496 PolarHBondContact OH-O 3.16Å; Y493-V497 HydrophobicContact CD1-CG2 4.26Å; Y493-V497 HydrophobicContact CE1-CG2 3.76Å |
| 494 | K | 96.1 | Very high | 88.1 | Confident | 198 Ų | 198 | 138.4 Ų | 138.4 | 86% | 0.861 | 75% | 0.749 | S | S | * | * | trans | -109.4 | 0 | -178.6 | -63.8 | -175.7 | -179.1 | 179.7 | 0 | 114.1 | P492 | P492-K494 PolarHBondContact O-N 3.11Š| ||
| 495 | G | 95.4 | Very high | 86.2 | Confident | 40 Ų | 40 | 139.7 Ų | 139.7 | 41% | 0.412 | 76% | 0.757 | S | S | . | * | S | Bend | trans | -77.3 | 173.6 | -179 | 0 | 0 | 0 | 0 | 0 | 112.5 | Y493 | Y493-G495 VanDerWaalsContact CE1-C 3.41Å; Y493-G495 WeakPolarHBondContact CE1-O 3.29Å; Y493-G495 WeakPolarHBondContact OH-CA 3.48Å |
| 496 | E | 92.4 | Very high | 84 | Confident | 188 Ų | 188 | 143.6 Ų | 143.6 | 88% | 0.879 | 76% | 0.762 | S | S | * | * | trans | -66.1 | 147.9 | 174.8 | -64.1 | -176.7 | 172.3 | 0 | 0 | 111.3 | Y493 | Y493-E496 PolarHBondContact OH-O 3.16Š| ||
| 497 | V | 93.1 | Very high | 81.6 | Confident | 116 Ų | 116 | 146.3 Ų | 146.3 | 70% | 0.703 | 76% | 0.763 | S | S | * | * | trans | -119.7 | 123.8 | 173.9 | -178.5 | 0 | 0 | 0 | 0 | 108.1 | Y493 T499 | Y493-V497 HydrophobicContact CD1-CG2 4.26Å; Y493-V497 HydrophobicContact CE1-CG2 3.76Å; V497-T499 PolarHBondContact O-N 3.38Å | ||
| 498 | A | 90.4 | Very high | 79.1 | Confident | 89 Ų | 89 | 148.7 Ų | 148.7 | 74% | 0.736 | 77% | 0.769 | S | S | * | * | trans | -61.9 | 132.6 | 178.3 | 0 | 0 | 0 | 0 | 0 | 111.2 | L500 | A498-L500 PolarHBondContact O-N 2.85Š| ||
| 499 | T | 86.3 | Confident | 76.4 | Confident | 140 Ų | 140 | 148.5 Ų | 148.5 | 86% | 0.859 | 78% | 0.778 | S | S | * | * | trans | -83.4 | 111.7 | 174.5 | -40.3 | 0 | 0 | 0 | 0 | 109.9 | V497 | V497-T499 PolarHBondContact O-N 3.38Š| ||
| 500 | L | 83.6 | Confident | 74 | Confident | 158 Ų | 158 | 145.5 Ų | 145.5 | 83% | 0.827 | 77% | 0.773 | S | S | * | * | trans | -81.3 | 119.5 | 170.9 | -67.3 | 170.7 | 0 | 0 | 0 | 109 | A498 S502 | A498-L500 PolarHBondContact O-N 2.85Å; L500-S502 PolarHBondContact O-N 3.32Å; L500-S502 VanDerWaalsContact O-N 3.11Å | ||
| 501 | K | 74.4 | Confident | 71.6 | Confident | 203 Ų | 203 | 142.8 Ų | 142.8 | 88% | 0.883 | 78% | 0.778 | S | S | * | * | trans | -63.1 | 113 | 166.4 | -73.1 | -176 | 179.1 | 179.4 | 0 | 107.5 | R503 | K501-R503 PolarHBondContact O-N 3.5Š| ||
| 502 | S | 67.1 | Low | 68.8 | Low | 99 Ų | 99 | 147.3 Ų | 147.3 | 69% | 0.692 | 78% | 0.783 | S | S | * | * | trans | -56.3 | 132.9 | 174.9 | 54.4 | 0 | 0 | 0 | 0 | 109.2 | L500 V504 | L500-S502 PolarHBondContact O-N 3.32Å; L500-S502 VanDerWaalsContact O-N 3.11Å; S502-V504 VanDerWaalsContact C-N 3.3Å; S502-V504 PolarHBondContact O-N 3.5Å | ||
| 503 | R | 60.4 | Low | 66.1 | Low | 244 Ų | 244 | 147.7 Ų | 147.7 | 92% | 0.921 | 78% | 0.784 | S | S | * | * | trans | -65.1 | 100 | 162.7 | -83 | -177.5 | 175.3 | 179.4 | -0.9 | 106 | K501 T505 | K501-R503 PolarHBondContact O-N 3.5Å; R503-T505 PolarHBondContact O-N 3.3Å | ||
| 504 | V | 52.6 | Low | 63.6 | Low | 122 Ų | 122 | 151.4 Ų | 151.4 | 74% | 0.739 | 80% | 0.797 | S | S | * | * | trans | -56.5 | 104.6 | 167.4 | 178 | 0 | 0 | 0 | 0 | 106.7 | S502 K506 | S502-V504 VanDerWaalsContact C-N 3.3Å; S502-V504 PolarHBondContact O-N 3.5Å; V504-K506 PolarHBondContact O-N 3.26Å; V504-K506 VanDerWaalsContact O-N 3.12Å | ||
| 505 | T | 53.3 | Low | 61 | Low | 123 Ų | 123 | 150.8 Ų | 150.8 | 76% | 0.755 | 79% | 0.794 | S | S | * | * | trans | -64.6 | 109.8 | 164.3 | 36.3 | 0 | 0 | 0 | 0 | 106.8 | R503 K507 | R503-T505 PolarHBondContact O-N 3.3Å; T505-K507 VanDerWaalsContact C-N 3.27Å; T505-K507 PolarHBondContact O-N 3.34Å | ||
| 506 | K | 48.2 | Very low | 58.2 | Low | 204 Ų | 204 | 157.7 Ų | 157.7 | 89% | 0.887 | 82% | 0.816 | S | S | * | * | S | Bend | trans | -56.7 | 88.2 | 169.4 | -81.8 | -179.2 | 172.1 | 179.5 | 0 | 109.3 | V504 | V504-K506 PolarHBondContact O-N 3.26Å; V504-K506 VanDerWaalsContact O-N 3.12Å |
| 507 | K | 45.6 | Very low | 55.9 | Low | 180 Ų | 180 | 153.6 Ų | 153.6 | 78% | 0.783 | 81% | 0.814 | S | S | * | * | trans | -139.5 | -6.3 | 164.5 | -107.2 | -171.6 | 178.2 | -174.9 | 0 | 115.9 | T505 | T505-K507 VanDerWaalsContact C-N 3.27Å; T505-K507 PolarHBondContact O-N 3.34Å | ||
| 508 | D | 43.1 | Very low | 53.1 | Low | 166 Ų | 166 | 156.6 Ų | 156.6 | 89% | 0.888 | 82% | 0.82 | S | S | * | * | S | Bend | trans | -115.2 | 31.3 | 179.9 | -63.5 | -30.6 | 0 | 0 | 0 | 114.1 | ||
| 509 | A | 42.2 | Very low | 51.2 | Low | 92 Ų | 92 | 161.5 Ų | 161.5 | 76% | 0.76 | 84% | 0.844 | S | S | * | * | trans | -111.2 | 46.2 | 175 | 0 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 510 | T | 45.1 | Very low | 49.5 | Very low | 129 Ų | 129 | 162.6 Ų | 162.6 | 79% | 0.791 | 84% | 0.844 | S | S | * | * | S | Bend | trans | -151.8 | 43.5 | 167.7 | 43.4 | 0 | 0 | 0 | 0 | 112.7 | ||
| 511 | V | 47.3 | Very low | 47.7 | Very low | 138 Ų | 138 | 162.8 Ų | 162.8 | 84% | 0.836 | 85% | 0.845 | S | S | * | * | trans | -148.6 | 78.4 | 162.5 | -170.5 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 512 | E | 37.1 | Very low | 46.2 | Very low | 184 Ų | 184 | 160.6 Ų | 160.6 | 86% | 0.86 | 84% | 0.842 | S | S | * | * | S | Bend | trans | 171.8 | 122.9 | 159.3 | -102.9 | 171.7 | -167.8 | 0 | 0 | 106.3 | ||
| 513 | T | 38.5 | Very low | 44.9 | Very low | 118 Ų | 118 | 164.2 Ų | 164.2 | 72% | 0.724 | 85% | 0.851 | S | S | * | * | cis | -170.3 | 112.7 | -1.1 | -6.7 | 0 | 0 | 0 | 0 | 104.1 | K515 | T513-K515 PolarHBondContact O-N 2.67Š| ||
| 514 | R | 43.6 | Very low | 44 | Very low | 248 Ų | 248 | 159.2 Ų | 159.2 | 94% | 0.936 | 85% | 0.847 | S | S | * | * | trans | -72 | 111.3 | 156.7 | -100.3 | -177.4 | 172.4 | 175.6 | -2.3 | 106.5 | ||||
| 515 | K | 41.5 | Very low | 43.4 | Very low | 186 Ų | 186 | 161.7 Ų | 161.7 | 81% | 0.809 | 85% | 0.854 | S | S | * | * | trans | 161.1 | 124.6 | 160.7 | -94.4 | 167.8 | -172.7 | -171.3 | 0 | 105.1 | T513 | T513-K515 PolarHBondContact O-N 2.67Š| ||
| 516 | Q | 36 | Very low | 42.7 | Very low | 185 Ų | 185 | 164.4 Ų | 164.4 | 86% | 0.864 | 86% | 0.861 | S | S | * | * | cis | -157.3 | 153.3 | 30.4 | -100.9 | 158.5 | -26.5 | 0 | 0 | 109.6 | ||||
| 517 | A | 45.7 | Very low | 42.3 | Very low | 101 Ų | 101 | 161.4 Ų | 161.4 | 84% | 0.835 | 86% | 0.859 | S | S | * | * | trans | -78 | 152.1 | 170.5 | 0 | 0 | 0 | 0 | 0 | 112 | ||||
| 518 | Q | 32.4 | Very low | 42 | Very low | 179 Ų | 179 | 159.8 Ų | 159.8 | 84% | 0.836 | 87% | 0.866 | S | S | * | * | trans | -35.1 | 168.6 | 158.5 | -100.4 | 176.9 | -4.6 | 0 | 0 | 116.6 | ||||
| 519 | P | 51.6 | Low | 41.9 | Very low | 192 Ų | 192 | 159.3 Ų | 159.3 | 100% | 1.247 | 86% | 0.864 | S | S | * | * | cis | -106.6 | 0 | 33.2 | 4.7 | 18.3 | 0 | 0 | 0 | 116.7 |
Retrieved 519 of 519 residues in 212.1 ms
(Link to these results)