| 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 | R | 96.7 | Very high | 98.4 | Very high | 59 Ų | 59 | 83.8 Ų | 83.8 | 22% | 0.223 | 43% | 0.43 | C | S | . | . | 0 | 148.7 | 0 | -69 | -76 | -68.1 | -87.9 | -3.5 | 108.5 | D3 V4 V6 E17 T19 E242 V255 | R1-D3 IonicContact CZ-OD1 3.46Å; R1-D3 IonicContact CZ-OD2 3.96Å; R1-D3 IonicContact NE-OD1 2.67Å; R1-D3 PolarHBondContact NE-OD1 2.94Å; R1-D3 IonicContact NE-OD2 3.78Å; R1-D3 PolarHBondContact NE-OD2 3.29Å; R1-D3 IonicContact NH2-OD1 3.84Å; R1-D3 IonicContact NH2-OD2 2.92Å; R1-D3 PolarHBondContact NH2-OD2 2.94Å; R1-V4 HydrophobicContact CB-CG2 3.64Å; R1-V4 HydrophobicContact CG-CG2 4.07Å; R1-V6 HydrophobicContact CB-CG1 3.78Å; R1-V6 HydrophobicContact CG-CG1 4.27Å; R1-E17 WeakPolarHBondContact CD-O 3.25Å; R1-E17 PolarHBondContact NH1-O 2.74Å; R1-E17 VanDerWaalsContact NH1-O 3.07Å; R1-T19 HydrophobicContact CG-CG2 4.05Å; R1-E242 IonicContact NH1-OE1 3.68Å; R1-V255 PolarHBondContact NH2-O 3Å | |||
| 2 | K | 97.8 | Very high | 98.4 | Very high | 219 Ų | 219 | 77.1 Ų | 77.1 | 95% | 0.952 | 40% | 0.396 | S | S | * | . | trans | -114.3 | -6.8 | 179.7 | -70.5 | -172.5 | 178.5 | -177.6 | 0 | 113.1 | ||||
| 3 | D | 97.9 | Very high | 98.5 | Very high | 83 Ų | 83 | 75.9 Ų | 75.9 | 44% | 0.444 | 40% | 0.397 | S | S | . | . | S | Bend | trans | -110 | -5.5 | -167.4 | 53.8 | -46.4 | 0 | 0 | 0 | 112.7 | R1 | R1-D3 IonicContact CZ-OD1 3.46Å; R1-D3 IonicContact CZ-OD2 3.96Å; R1-D3 IonicContact NE-OD1 2.67Å; R1-D3 PolarHBondContact NE-OD1 2.94Å; R1-D3 IonicContact NE-OD2 3.78Å; R1-D3 PolarHBondContact NE-OD2 3.29Å; R1-D3 IonicContact NH2-OD1 3.84Å; R1-D3 IonicContact NH2-OD2 2.92Å; R1-D3 PolarHBondContact NH2-OD2 2.94Å |
| 4 | V | 98.6 | Very high | 98.5 | Very high | 28 Ų | 28 | 70.7 Ų | 70.7 | 17% | 0.17 | 37% | 0.369 | C | S | . | . | S | Bend | trans | -146.7 | 156 | -178.1 | -66.9 | 0 | 0 | 0 | 0 | 110.8 | R1 V6 W16 V255 | R1-V4 HydrophobicContact CB-CG2 3.64Å; R1-V4 HydrophobicContact CG-CG2 4.07Å; V4-V6 HydrophobicContact CG2-CG1 4.12Å; V4-W16 HydrophobicContact CB-CD2 4.33Å; V4-W16 HydrophobicContact CB-CZ2 4.12Å; V4-W16 HydrophobicContact CG1-CD2 4.31Å; V4-W16 HydrophobicContact CG1-CE3 4.38Å; V4-W16 HydrophobicContact CG1-CH2 3.96Å; V4-W16 HydrophobicContact CG1-CZ2 3.9Å; V4-W16 HydrophobicContact CG1-CZ3 4.18Å; V4-W16 HydrophobicContact CG2-CD2 3.94Å; V4-W16 HydrophobicContact CG2-CG 3.93Å; V4-V255 HydrophobicContact CG1-CG2 3.23Å |
| 5 | L | 98.6 | Very high | 98.5 | Very high | 95 Ų | 95 | 66.4 Ų | 66.4 | 50% | 0.497 | 35% | 0.347 | S | S | . | . | trans | -70.1 | 129.4 | 165.7 | -173.4 | 66.7 | 0 | 0 | 0 | 109.5 | V7 I14 W16 F183 | L5-V7 WeakPolarHBondContact CD1-O 3.26Å; L5-V7 VanDerWaalsContact CG-O 3.24Å; L5-V7 WeakPolarHBondContact CG-O 3.31Å; L5-I14 HydrophobicContact CB-CD1 4.1Å; L5-I14 HydrophobicContact CD2-CD1 3.73Å; L5-I14 HydrophobicContact CG-CD1 3.77Å; L5-W16 PolarHBondContact O-NE1 3.29Å; L5-W16 VanDerWaalsContact O-NE1 3.08Å; L5-F183 HydrophobicContact CD2-CZ 4.27Å | ||
| 6 | V | 98.8 | Very high | 98.6 | Very high | 51 Ų | 51 | 62.8 Ų | 62.8 | 31% | 0.309 | 33% | 0.327 | S | S | . | . | trans | -113.4 | -4.9 | -178.2 | -62.3 | 0 | 0 | 0 | 0 | 113.7 | R1 V4 I14 T19 | R1-V6 HydrophobicContact CB-CG1 3.78Å; R1-V6 HydrophobicContact CG-CG1 4.27Å; V4-V6 HydrophobicContact CG2-CG1 4.12Å; V6-I14 PolarHBondContact O-N 2.8Å; V6-T19 HydrophobicContact CB-CG2 4.21Å; V6-T19 HydrophobicContact CG1-CG2 3.73Å | ||
| 7 | V | 98.8 | Very high | 98.6 | Very high | 64 Ų | 64 | 62.2 Ų | 62.2 | 39% | 0.388 | 32% | 0.323 | S | S | . | . | B | Isolated β-bridge | trans | -147.2 | 135.4 | 177 | 63.1 | 0 | 0 | 0 | 0 | 108.8 | L5 A12 | L5-V7 WeakPolarHBondContact CD1-O 3.26Å; L5-V7 VanDerWaalsContact CG-O 3.24Å; L5-V7 WeakPolarHBondContact CG-O 3.31Å; V7-A12 CarbonylContact C-O 3.53Å; V7-A12 WeakPolarHBondContact CA-O 3.23Å |
| 8 | T | 98.9 | Very high | 98.6 | Very high | 4 Ų | 4 | 61.4 Ų | 61.4 | 3% | 0.025 | 33% | 0.332 | C | S | . | . | trans | -75 | 165.3 | 178.4 | 70.1 | 0 | 0 | 0 | 0 | 111.2 | W10 L11 A12 I14 F183 V238 | T8-W10 HydrophobicContact CG2-CD2 4.45Å; T8-W10 HydrophobicContact CG2-CH2 4.01Å; T8-W10 HydrophobicContact CG2-CZ2 3.64Å; T8-W10 PolarHBondContact O-N 3.2Å; T8-W10 VanDerWaalsContact O-N 3.13Å; T8-W10 PolarHBondContact OG1-N 3.24Å; T8-W10 PolarHBondContact OG1-NE1 3.37Å; T8-L11 PolarHBondContact O-N 3.35Å; T8-A12 HydrophobicContact CG2-CB 4.12Å; T8-A12 WeakPolarHBondContact CG2-O 3.25Å; T8-A12 PolarHBondContact N-O 2.88Å; T8-A12 WeakPolarHBondContact OG1-CB 3.47Å; T8-A12 PolarHBondContact OG1-N 2.72Å; T8-A12 PolarHBondContact OG1-O 3.21Å; T8-I14 HydrophobicContact CG2-CD1 4.02Å; T8-I14 HydrophobicContact CG2-CG1 3.77Å; T8-F183 HydrophobicContact CG2-CE2 3.79Å; T8-F183 HydrophobicContact CG2-CZ 4.25Å; T8-V238 HydrophobicContact CG2-CG2 3.88Å | ||
| 9 | P | 98.7 | Very high | 98.6 | Very high | 112 Ų | 112 | 61.2 Ų | 61.2 | 73% | 0.727 | 33% | 0.333 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.6 | -20.3 | 173.3 | -26.3 | 36.4 | 0 | 0 | 0 | 114.8 | ||
| 10 | W | 98.8 | Very high | 98.6 | Very high | 62 Ų | 62 | 60.6 Ų | 60.6 | 24% | 0.235 | 33% | 0.327 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -98.5 | 20.4 | 174.6 | 62.9 | 87 | 0 | 0 | 0 | 113.2 | T8 A12 D182 F183 K234 P235 V238 | T8-W10 HydrophobicContact CG2-CD2 4.45Å; T8-W10 HydrophobicContact CG2-CH2 4.01Å; T8-W10 HydrophobicContact CG2-CZ2 3.64Å; T8-W10 PolarHBondContact O-N 3.2Å; T8-W10 VanDerWaalsContact O-N 3.13Å; T8-W10 PolarHBondContact OG1-N 3.24Å; T8-W10 PolarHBondContact OG1-NE1 3.37Å; W10-A12 VanDerWaalsContact C-N 3.3Å; W10-A12 PolarHBondContact O-N 2.98Å; W10-D182 HydrophobicContact CH2-CB 3.68Å; W10-D182 HydrophobicContact CZ3-CB 3.67Å; W10-D182 VanDerWaalsContact CZ3-CG 3.44Å; W10-D182 WeakPolarHBondContact CZ3-OD1 3.44Å; W10-F183 AromaticContact CH2-CD2 3.88Å; W10-F183 HydrophobicContact CH2-CD2 3.88Å; W10-F183 AromaticContact CH2-CE2 3.61Å; W10-F183 HydrophobicContact CH2-CE2 3.61Å; W10-F183 HydrophobicContact CZ2-CE2 4.29Å; W10-F183 HydrophobicContact CZ3-CE2 4.32Å; W10-K234 HydrophobicContact CD2-CB 4.04Å; W10-K234 HydrophobicContact CD2-CD 4.21Å; W10-K234 HydrophobicContact CD2-CG 4.12Å; W10-K234 HydrophobicContact CE3-CD 4.21Å; W10-K234 HydrophobicContact CG-CB 3.97Å; W10-K234 HydrophobicContact CG-CG 4.17Å; W10-K234 HydrophobicContact CZ3-CD 4.38Å; W10-P235 HydrophobicContact CZ2-CG 4.1Å; W10-P235 PolarHBondContact NE1-O 2.86Å; W10-V238 HydrophobicContact CZ2-CG2 4.24Å |
| 11 | L | 98.8 | Very high | 98.6 | Very high | 145 Ų | 145 | 61.6 Ų | 61.6 | 76% | 0.759 | 33% | 0.333 | S | S | * | . | S | Bend | trans | 67 | 20.3 | 173.7 | -50.3 | 178.2 | 0 | 0 | 0 | 115.5 | T8 | T8-L11 PolarHBondContact O-N 3.35Š|
| 12 | A | 98.9 | Very high | 98.7 | Very high | 3 Ų | 3 | 60.9 Ų | 60.9 | 3% | 0.025 | 33% | 0.333 | C | S | . | . | trans | -82.2 | 132.6 | 169 | 0 | 0 | 0 | 0 | 0 | 110.5 | V7 T8 W10 P235 T236 | V7-A12 CarbonylContact C-O 3.53Å; V7-A12 WeakPolarHBondContact CA-O 3.23Å; T8-A12 HydrophobicContact CG2-CB 4.12Å; T8-A12 WeakPolarHBondContact CG2-O 3.25Å; T8-A12 PolarHBondContact N-O 2.88Å; T8-A12 WeakPolarHBondContact OG1-CB 3.47Å; T8-A12 PolarHBondContact OG1-N 2.72Å; T8-A12 PolarHBondContact OG1-O 3.21Å; W10-A12 VanDerWaalsContact C-N 3.3Å; W10-A12 PolarHBondContact O-N 2.98Å; A12-P235 VanDerWaalsContact CB-O 3.23Å; A12-P235 WeakPolarHBondContact CB-O 3.21Å; A12-T236 WeakPolarHBondContact CB-O 3.24Å | ||
| 13 | P | 98.9 | Very high | 98.7 | Very high | 62 Ų | 62 | 55.7 Ų | 55.7 | 40% | 0.403 | 32% | 0.315 | S | S | . | . | B | Isolated β-bridge | trans | -60.4 | 138.7 | 172.5 | -23.1 | 33.5 | 0 | 0 | 0 | 111.7 | T236 K237 V238 | P13-T236 WeakPolarHBondContact CD-O 3.19Å; P13-K237 HydrophobicContact CB-CG 4.46Å; P13-K237 HydrophobicContact CG-CG 4.39Å; P13-K237 WeakPolarHBondContact O-CA 3.31Å; P13-V238 PolarHBondContact O-N 3.19Å |
| 14 | I | 98.9 | Very high | 98.8 | Very high | 3 Ų | 3 | 56.3 Ų | 56.3 | 2% | 0.015 | 32% | 0.318 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.6 | 112.8 | 164 | -47.7 | -175.9 | 0 | 0 | 0 | 107.3 | L5 V6 T8 W16 L152 F183 V238 | L5-I14 HydrophobicContact CB-CD1 4.1Å; L5-I14 HydrophobicContact CD2-CD1 3.73Å; L5-I14 HydrophobicContact CG-CD1 3.77Å; V6-I14 PolarHBondContact O-N 2.8Å; T8-I14 HydrophobicContact CG2-CD1 4.02Å; T8-I14 HydrophobicContact CG2-CG1 3.77Å; I14-W16 VanDerWaalsContact CG2-NE1 3.28Å; I14-W16 VanDerWaalsContact O-CD1 3.27Å; I14-W16 PolarHBondContact O-N 2.98Å; I14-L152 HydrophobicContact CG2-CD1 4.31Å; I14-F183 HydrophobicContact CD1-CE1 4.47Å; I14-F183 HydrophobicContact CD1-CZ 3.87Å; I14-V238 CarbonylContact C-O 3.5Å; I14-V238 VanDerWaalsContact CA-O 3.22Å; I14-V238 WeakPolarHBondContact CA-O 3.44Å; I14-V238 HydrophobicContact CG1-CB 4.3Å; I14-V238 HydrophobicContact CG2-CB 4.4Å; I14-V238 HydrophobicContact CG2-CG1 4.34Å |
| 15 | V | 98.9 | Very high | 98.8 | Very high | 6 Ų | 6 | 56.4 Ų | 56.4 | 4% | 0.036 | 32% | 0.317 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.9 | 107.2 | -169.4 | -172.4 | 0 | 0 | 0 | 0 | 110 | F20 E143 K237 V238 L239 S240 Y243 | V15-F20 HydrophobicContact CG1-CD1 4.04Å; V15-F20 HydrophobicContact CG1-CE1 3.98Å; V15-E143 HydrophobicContact CG1-CB 4.36Å; V15-E143 HydrophobicContact CG1-CG 3.77Å; V15-K237 HydrophobicContact CG2-CB 4.42Å; V15-K237 HydrophobicContact CG2-CD 4.14Å; V15-V238 PolarHBondContact N-O 2.77Å; V15-L239 HydrophobicContact CB-CD2 3.94Å; V15-L239 HydrophobicContact CG2-CD2 3.77Å; V15-S240 WeakPolarHBondContact O-CB 3.44Å; V15-S240 PolarHBondContact O-N 2.82Å; V15-S240 VanDerWaalsContact O-N 3.15Å; V15-S240 PolarHBondContact O-OG 3.11Å; V15-Y243 HydrophobicContact CB-CE2 4.19Å; V15-Y243 HydrophobicContact CG1-CE2 3.79Å; V15-Y243 WeakPolarHBondContact CG1-OH 3.32Å |
| 16 | W | 98.9 | Very high | 98.8 | Very high | 8 Ų | 8 | 53.2 Ų | 53.2 | 3% | 0.03 | 30% | 0.301 | C | S | . | . | trans | -123.3 | 155.2 | 173.7 | -65.4 | 91.8 | 0 | 0 | 0 | 110.5 | V4 L5 I14 G18 T19 P241 E242 V255 L256 | V4-W16 HydrophobicContact CB-CD2 4.33Å; V4-W16 HydrophobicContact CB-CZ2 4.12Å; V4-W16 HydrophobicContact CG1-CD2 4.31Å; V4-W16 HydrophobicContact CG1-CE3 4.38Å; V4-W16 HydrophobicContact CG1-CH2 3.96Å; V4-W16 HydrophobicContact CG1-CZ2 3.9Å; V4-W16 HydrophobicContact CG1-CZ3 4.18Å; V4-W16 HydrophobicContact CG2-CD2 3.94Å; V4-W16 HydrophobicContact CG2-CG 3.93Å; L5-W16 PolarHBondContact O-NE1 3.29Å; L5-W16 VanDerWaalsContact O-NE1 3.08Å; I14-W16 VanDerWaalsContact CG2-NE1 3.28Å; I14-W16 VanDerWaalsContact O-CD1 3.27Å; I14-W16 PolarHBondContact O-N 2.98Å; W16-G18 PolarHBondContact O-N 2.96Å; W16-T19 HydrophobicContact CB-CG2 3.88Å; W16-T19 PolarHBondContact N-OG1 3.03Å; W16-T19 WeakPolarHBondContact O-CB 3.2Å; W16-T19 WeakPolarHBondContact O-CG2 3.45Å; W16-T19 PolarHBondContact O-N 3.32Å; W16-T19 PolarHBondContact O-OG1 3.1Å; W16-P241 VanDerWaalsContact CH2-CD 3.48Å; W16-P241 HydrophobicContact CH2-CG 4.37Å; W16-E242 HydrophobicContact CE3-CG 4.14Å; W16-E242 HydrophobicContact CZ3-CG 4.42Å; W16-V255 HydrophobicContact CH2-CG2 4.43Å; W16-V255 HydrophobicContact CZ3-CG2 4.26Å; W16-L256 HydrophobicContact CZ3-CD2 3.79Å | ||
| 17 | E | 98.8 | Very high | 98.8 | Very high | 53 Ų | 53 | 55.2 Ų | 55.2 | 25% | 0.248 | 31% | 0.307 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -54.2 | 132.7 | 170.2 | -175.6 | 57.9 | -161 | 0 | 0 | 111.2 | R1 E242 R257 K258 R260 | R1-E17 WeakPolarHBondContact CD-O 3.25Å; R1-E17 PolarHBondContact NH1-O 2.74Å; R1-E17 VanDerWaalsContact NH1-O 3.07Å; E17-E242 WeakPolarHBondContact CB-OE1 3.34Å; E17-E242 WeakPolarHBondContact CB-OE2 3.16Å; E17-E242 PolarHBondContact N-OE1 3.33Å; E17-E242 PolarHBondContact N-OE2 2.71Å; E17-R257 HydrophobicContact CB-CB 3.88Å; E17-R257 HydrophobicContact CG-CB 3.93Å; E17-K258 HydrophobicContact CB-CD 4.47Å; E17-K258 HydrophobicContact CG-CD 4.04Å; E17-K258 HydrophobicContact CG-CG 4.28Å; E17-K258 WeakPolarHBondContact OE2-CD 3.19Å; E17-K258 WeakPolarHBondContact OE2-CE 3.49Å; E17-R260 IonicContact OE2-CZ 3.49Å; E17-R260 IonicContact OE2-NH1 3.56Å; E17-R260 IonicContact OE2-NH2 2.82Å; E17-R260 PolarHBondContact OE2-NH2 3.36Å |
| 18 | G | 98.4 | Very high | 98.8 | Very high | 48 Ų | 48 | 56.9 Ų | 56.9 | 50% | 0.495 | 31% | 0.31 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 81.6 | 12.8 | -176 | 0 | 0 | 0 | 0 | 0 | 115.2 | W16 | W16-G18 PolarHBondContact O-N 2.96Š|
| 19 | T | 98.8 | Very high | 98.8 | Very high | 57 Ų | 57 | 57.6 Ų | 57.6 | 35% | 0.35 | 31% | 0.313 | S | S | . | . | S | Bend | trans | -102.2 | -9.8 | 173.5 | 62.8 | 0 | 0 | 0 | 0 | 114.1 | R1 V6 W16 | R1-T19 HydrophobicContact CG-CG2 4.05Å; V6-T19 HydrophobicContact CB-CG2 4.21Å; V6-T19 HydrophobicContact CG1-CG2 3.73Å; W16-T19 HydrophobicContact CB-CG2 3.88Å; W16-T19 PolarHBondContact N-OG1 3.03Å; W16-T19 WeakPolarHBondContact O-CB 3.2Å; W16-T19 WeakPolarHBondContact O-CG2 3.45Å; W16-T19 PolarHBondContact O-N 3.32Å; W16-T19 PolarHBondContact O-OG1 3.1Å |
| 20 | F | 98.8 | Very high | 98.7 | Very high | 49 Ų | 49 | 57.7 Ų | 57.7 | 22% | 0.215 | 30% | 0.299 | C | S | . | . | trans | -134.6 | 155.8 | -179 | 58.4 | -87.6 | 0 | 0 | 0 | 110.8 | V15 I22 L25 E143 | V15-F20 HydrophobicContact CG1-CD1 4.04Å; V15-F20 HydrophobicContact CG1-CE1 3.98Å; F20-I22 HydrophobicContact CD2-CB 4.2Å; F20-I22 HydrophobicContact CD2-CD1 4.4Å; F20-I22 HydrophobicContact CE2-CB 4.11Å; F20-I22 HydrophobicContact CE2-CD1 4.2Å; F20-L25 HydrophobicContact CB-CD1 3.76Å; F20-L25 HydrophobicContact CD2-CD1 4.1Å; F20-L25 HydrophobicContact CG-CD1 4.22Å; F20-E143 HydrophobicContact CD1-CB 4.09Å; F20-E143 HydrophobicContact CD1-CG 4.13Å; F20-E143 HydrophobicContact CD2-CB 3.86Å; F20-E143 HydrophobicContact CD2-CG 4.26Å; F20-E143 HydrophobicContact CE1-CB 4.27Å; F20-E143 HydrophobicContact CE1-CG 3.81Å; F20-E143 HydrophobicContact CE2-CB 4.03Å; F20-E143 HydrophobicContact CE2-CG 3.94Å; F20-E143 HydrophobicContact CG-CB 3.9Å; F20-E143 HydrophobicContact CG-CG 4.36Å; F20-E143 HydrophobicContact CZ-CB 4.24Å; F20-E143 HydrophobicContact CZ-CG 3.71Å | ||
| 21 | N | 98.8 | Very high | 98.7 | Very high | 83 Ų | 83 | 61.7 Ų | 61.7 | 44% | 0.444 | 32% | 0.324 | S | S | . | . | trans | -104.3 | 114.2 | 165.2 | 179.7 | -40.2 | 0 | 0 | 0 | 107.4 | D23 I24 L25 | N21-D23 VanDerWaalsContact C-N 3.32Å; N21-D23 PolarHBondContact O-N 2.89Å; N21-D23 PolarHBondContact OD1-N 3.44Å; N21-I24 HydrophobicContact CB-CB 4.48Å; N21-I24 HydrophobicContact CB-CD1 3.99Å; N21-I24 HydrophobicContact CB-CG1 4.21Å; N21-I24 PolarHBondContact O-N 3.45Å; N21-I24 PolarHBondContact OD1-N 3.09Å; N21-L25 WeakPolarHBondContact O-CG 3.5Å; N21-L25 PolarHBondContact O-N 3.36Å | ||
| 22 | I | 98.7 | Very high | 98.6 | Very high | 44 Ų | 44 | 60.6 Ų | 60.6 | 23% | 0.226 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -70.1 | -28.2 | -172.2 | -166.5 | 54.1 | 0 | 0 | 0 | 112.9 | F20 L25 N26 H139 V142 E143 | F20-I22 HydrophobicContact CD2-CB 4.2Å; F20-I22 HydrophobicContact CD2-CD1 4.4Å; F20-I22 HydrophobicContact CE2-CB 4.11Å; F20-I22 HydrophobicContact CE2-CD1 4.2Å; I22-L25 PolarHBondContact O-N 3.22Å; I22-N26 WeakPolarHBondContact O-CB 3.33Å; I22-N26 PolarHBondContact O-N 3.18Å; I22-N26 PolarHBondContact O-ND2 2.76Å; I22-H139 WeakPolarHBondContact CD1-NE2 3.3Å; I22-V142 HydrophobicContact CD1-CG2 4.25Å; I22-E143 WeakPolarHBondContact CD1-OE2 3.31Å |
| 23 | D | 98.7 | Very high | 98.6 | Very high | 109 Ų | 109 | 65.6 Ų | 65.6 | 58% | 0.583 | 34% | 0.341 | S | S | * | . | H | α-helix | trans | -67.9 | -43.5 | 179.7 | -59.7 | -39.2 | 0 | 0 | 0 | 110.9 | N21 N26 E27 | N21-D23 VanDerWaalsContact C-N 3.32Å; N21-D23 PolarHBondContact O-N 2.89Å; N21-D23 PolarHBondContact OD1-N 3.44Å; D23-N26 PolarHBondContact O-N 3.07Å; D23-E27 WeakPolarHBondContact O-CG 3.35Å; D23-E27 PolarHBondContact O-N 3.03Å |
| 24 | I | 98.8 | Very high | 98.5 | Very high | 97 Ų | 97 | 62.9 Ų | 62.9 | 50% | 0.497 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -61 | -47.7 | 175.9 | -61.9 | 178 | 0 | 0 | 0 | 110.4 | N21 E27 Q28 | N21-I24 HydrophobicContact CB-CB 4.48Å; N21-I24 HydrophobicContact CB-CD1 3.99Å; N21-I24 HydrophobicContact CB-CG1 4.21Å; N21-I24 PolarHBondContact O-N 3.45Å; N21-I24 PolarHBondContact OD1-N 3.09Å; I24-E27 PolarHBondContact O-N 3.25Å; I24-Q28 WeakPolarHBondContact O-CG 3.45Å; I24-Q28 PolarHBondContact O-N 3.43Å |
| 25 | L | 98.8 | Very high | 98.5 | Very high | 30 Ų | 30 | 63.5 Ų | 63.5 | 16% | 0.157 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -65.4 | -42.7 | 179.9 | -65.3 | 176 | 0 | 0 | 0 | 111.3 | F20 N21 I22 E27 Q28 F29 V142 E143 | F20-L25 HydrophobicContact CB-CD1 3.76Å; F20-L25 HydrophobicContact CD2-CD1 4.1Å; F20-L25 HydrophobicContact CG-CD1 4.22Å; N21-L25 WeakPolarHBondContact O-CG 3.5Å; N21-L25 PolarHBondContact O-N 3.36Å; I22-L25 PolarHBondContact O-N 3.22Å; L25-E27 VanDerWaalsContact C-N 3.33Å; L25-E27 PolarHBondContact O-N 3.04Å; L25-Q28 PolarHBondContact O-N 3.32Å; L25-F29 VanDerWaalsContact O-CD2 3.32Å; L25-F29 WeakPolarHBondContact O-CD2 3.41Å; L25-F29 PolarHBondContact O-N 3.4Å; L25-V142 HydrophobicContact CB-CG2 3.86Å; L25-E143 HydrophobicContact CD1-CB 3.61Å |
| 26 | N | 98.8 | Very high | 98.5 | Very high | 28 Ų | 28 | 63.2 Ų | 63.2 | 15% | 0.15 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -59 | -44.2 | 177.1 | -82.8 | -25.9 | 0 | 0 | 0 | 111.7 | I22 D23 R30 H65 V142 | I22-N26 WeakPolarHBondContact O-CB 3.33Å; I22-N26 PolarHBondContact O-N 3.18Å; I22-N26 PolarHBondContact O-ND2 2.76Å; D23-N26 PolarHBondContact O-N 3.07Å; N26-R30 WeakPolarHBondContact O-CB 3.26Å; N26-R30 VanDerWaalsContact O-CG 3.25Å; N26-R30 WeakPolarHBondContact O-CG 3.42Å; N26-R30 PolarHBondContact O-N 3.5Å; N26-R30 PolarHBondContact O-NE 2.81Å; N26-H65 PolarHBondContact OD1-NE2 2.82Å; N26-V142 WeakPolarHBondContact OD1-CG2 3.33Å |
| 27 | E | 98.6 | Very high | 98.5 | Very high | 93 Ų | 93 | 62.9 Ų | 62.9 | 44% | 0.435 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -60.9 | -46.7 | 174.6 | -74.1 | -59.2 | 144.5 | 0 | 0 | 111.5 | D23 I24 L25 F29 R30 L31 | D23-E27 WeakPolarHBondContact O-CG 3.35Å; D23-E27 PolarHBondContact O-N 3.03Å; I24-E27 PolarHBondContact O-N 3.25Å; L25-E27 VanDerWaalsContact C-N 3.33Å; L25-E27 PolarHBondContact O-N 3.04Å; E27-F29 PolarHBondContact O-N 3.37Å; E27-R30 PolarHBondContact O-N 3.41Å; E27-R30 IonicContact OE1-CZ 2.75Å; E27-R30 IonicContact OE1-NH1 3.17Å; E27-R30 PolarHBondContact OE1-NH1 2.92Å; E27-R30 IonicContact OE1-NH2 3.38Å; E27-R30 PolarHBondContact OE1-NH2 3.29Å; E27-R30 IonicContact OE2-NH1 2.74Å; E27-L31 WeakPolarHBondContact O-CB 3.04Å; E27-L31 VanDerWaalsContact O-CG 3.26Å; E27-L31 WeakPolarHBondContact O-CG 3.07Å; E27-L31 PolarHBondContact O-N 3.37Å |
| 28 | Q | 98.6 | Very high | 98.5 | Very high | 99 Ų | 99 | 60.3 Ų | 60.3 | 46% | 0.463 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -58.2 | -43.7 | -179.5 | -73.9 | 174.5 | -12.9 | 0 | 0 | 113.6 | I24 L25 Q32 | I24-Q28 WeakPolarHBondContact O-CG 3.45Å; I24-Q28 PolarHBondContact O-N 3.43Å; L25-Q28 PolarHBondContact O-N 3.32Å; Q28-Q32 PolarHBondContact O-NE2 3.46Å |
| 29 | F | 98.6 | Very high | 98.6 | Very high | 19 Ų | 19 | 58.1 Ų | 58.1 | 8% | 0.083 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -82.6 | -31.4 | -179.2 | -75.4 | -82.2 | 0 | 0 | 0 | 112.5 | L25 E27 Q32 N33 T34 Y126 V142 L145 | L25-F29 VanDerWaalsContact O-CD2 3.32Å; L25-F29 WeakPolarHBondContact O-CD2 3.41Å; L25-F29 PolarHBondContact O-N 3.4Å; E27-F29 PolarHBondContact O-N 3.37Å; F29-Q32 PolarHBondContact O-N 2.98Å; F29-N33 PolarHBondContact O-N 3.25Å; F29-T34 HydrophobicContact CD1-CG2 4.12Å; F29-T34 PolarHBondContact O-N 3.45Å; F29-T34 PolarHBondContact O-OG1 3.46Å; F29-T34 VanDerWaalsContact O-OG1 3.09Å; F29-Y126 HydrophobicContact CE1-CE2 4.06Å; F29-V142 HydrophobicContact CB-CB 4.23Å; F29-V142 HydrophobicContact CB-CG1 4Å; F29-V142 HydrophobicContact CD2-CB 3.61Å; F29-V142 HydrophobicContact CD2-CG1 4.3Å; F29-V142 HydrophobicContact CD2-CG2 3.83Å; F29-V142 HydrophobicContact CE2-CB 4.12Å; F29-V142 HydrophobicContact CE2-CG2 4.49Å; F29-V142 HydrophobicContact CG-CB 3.95Å; F29-V142 HydrophobicContact CG-CG1 4.15Å; F29-V142 HydrophobicContact CG-CG2 4.44Å; F29-L145 HydrophobicContact CD1-CD1 4.03Å; F29-L145 HydrophobicContact CE1-CB 3.87Å; F29-L145 HydrophobicContact CE1-CD1 4.02Å; F29-L145 HydrophobicContact CZ-CB 3.82Å |
| 30 | R | 97.6 | Very high | 98.6 | Very high | 114 Ų | 114 | 55.4 Ų | 55.4 | 43% | 0.43 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -64.6 | -39.7 | 172.8 | -80 | -175.1 | -80.9 | 133.1 | -1.6 | 112 | N26 E27 Q32 N33 | N26-R30 WeakPolarHBondContact O-CB 3.26Å; N26-R30 VanDerWaalsContact O-CG 3.25Å; N26-R30 WeakPolarHBondContact O-CG 3.42Å; N26-R30 PolarHBondContact O-N 3.5Å; N26-R30 PolarHBondContact O-NE 2.81Å; E27-R30 PolarHBondContact O-N 3.41Å; E27-R30 IonicContact OE1-CZ 2.75Å; E27-R30 IonicContact OE1-NH1 3.17Å; E27-R30 PolarHBondContact OE1-NH1 2.92Å; E27-R30 IonicContact OE1-NH2 3.38Å; E27-R30 PolarHBondContact OE1-NH2 3.29Å; E27-R30 IonicContact OE2-NH1 2.74Å; R30-Q32 PolarHBondContact O-N 2.63Å; R30-N33 PolarHBondContact O-N 3.13Å |
| 31 | L | 98.1 | Very high | 98.6 | Very high | 146 Ų | 146 | 53.9 Ų | 53.9 | 76% | 0.764 | 27% | 0.266 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.3 | -25.2 | 175.4 | -73.3 | 171.8 | 0 | 0 | 0 | 113.1 | E27 N33 | E27-L31 WeakPolarHBondContact O-CB 3.04Å; E27-L31 VanDerWaalsContact O-CG 3.26Å; E27-L31 WeakPolarHBondContact O-CG 3.07Å; E27-L31 PolarHBondContact O-N 3.37Å; L31-N33 VanDerWaalsContact C-N 3.34Å |
| 32 | Q | 97.9 | Very high | 98.5 | Very high | 122 Ų | 122 | 49.9 Ų | 49.9 | 57% | 0.57 | 25% | 0.245 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -89 | -1.6 | 174.9 | -69 | 172.6 | 69 | 0 | 0 | 112.9 | Q28 F29 R30 T34 | Q28-Q32 PolarHBondContact O-NE2 3.46Å; F29-Q32 PolarHBondContact O-N 2.98Å; R30-Q32 PolarHBondContact O-N 2.63Å; Q32-T34 PolarHBondContact O-N 3.25Å |
| 33 | N | 97.6 | Very high | 98.5 | Very high | 108 Ų | 108 | 48.2 Ų | 48.2 | 58% | 0.578 | 24% | 0.236 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 52 | 40.6 | -174.7 | -169.8 | 43 | 0 | 0 | 0 | 112.7 | F29 R30 L31 T35 R66 | F29-N33 PolarHBondContact O-N 3.25Å; R30-N33 PolarHBondContact O-N 3.13Å; L31-N33 VanDerWaalsContact C-N 3.34Å; N33-T35 PolarHBondContact O-N 2.63Å; N33-R66 VanDerWaalsContact OD1-CD 3.31Å; N33-R66 WeakPolarHBondContact OD1-CD 3.27Å |
| 34 | T | 98.4 | Very high | 98.4 | Very high | 5 Ų | 5 | 45.9 Ų | 45.9 | 3% | 0.031 | 22% | 0.221 | C | C | . | . | trans | -60.5 | 133.3 | -172 | -57.7 | 0 | 0 | 0 | 0 | 112.5 | F29 Q32 I36 D125 Y126 L145 | F29-T34 HydrophobicContact CD1-CG2 4.12Å; F29-T34 PolarHBondContact O-N 3.45Å; F29-T34 PolarHBondContact O-OG1 3.46Å; F29-T34 VanDerWaalsContact O-OG1 3.09Å; Q32-T34 PolarHBondContact O-N 3.25Å; T34-I36 HydrophobicContact CG2-CD1 3.98Å; T34-I36 HydrophobicContact CG2-CG1 4.3Å; T34-D125 VanDerWaalsContact CA-OD2 3.31Å; T34-D125 WeakPolarHBondContact CA-OD2 3.46Å; T34-D125 HydrophobicContact CG2-CB 4.26Å; T34-Y126 HydrophobicContact CG2-CD2 3.65Å; T34-Y126 HydrophobicContact CG2-CE2 3.85Å; T34-L145 HydrophobicContact CG2-CD1 4.1Å | ||
| 35 | T | 98.8 | Very high | 98.4 | Very high | 16 Ų | 16 | 45.3 Ų | 45.3 | 10% | 0.098 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113 | 128.1 | 173.4 | -52.4 | 0 | 0 | 0 | 0 | 110.3 | N33 R66 V124 D125 Y126 | N33-T35 PolarHBondContact O-N 2.63Å; T35-R66 WeakPolarHBondContact CA-O 3.17Å; T35-R66 HydrophobicContact CG2-CB 3.89Å; T35-R66 WeakPolarHBondContact OG1-CD 3.44Å; T35-R66 PolarHBondContact OG1-NE 3Å; T35-V124 HydrophobicContact CG2-CB 4.42Å; T35-V124 HydrophobicContact CG2-CG1 3.93Å; T35-D125 PolarHBondContact N-OD2 3.35Å; T35-D125 PolarHBondContact O-N 2.76Å; T35-Y126 PolarHBondContact O-N 3.03Å |
| 36 | I | 98.9 | Very high | 98.4 | Very high | 0 Ų | 0 | 45.8 Ų | 45.8 | 0% | 0 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112 | 122.3 | -175.7 | -55 | 85.6 | 0 | 0 | 0 | 109.7 | T34 F61 M62 H65 R66 V67 H68 V128 L145 | T34-I36 HydrophobicContact CG2-CD1 3.98Å; T34-I36 HydrophobicContact CG2-CG1 4.3Å; I36-F61 HydrophobicContact CG2-CE1 4.2Å; I36-F61 HydrophobicContact CG2-CZ 3.84Å; I36-M62 HydrophobicContact CB-CG 4.29Å; I36-M62 HydrophobicContact CD1-CB 4.45Å; I36-M62 HydrophobicContact CD1-CG 4.34Å; I36-M62 HydrophobicContact CD1-SD 4.24Å; I36-M62 HydrophobicContact CG1-CE 4.49Å; I36-M62 HydrophobicContact CG1-CG 4.2Å; I36-M62 HydrophobicContact CG1-SD 4.09Å; I36-M62 HydrophobicContact CG2-CE 4.29Å; I36-M62 HydrophobicContact CG2-CG 4.25Å; I36-H65 HydrophobicContact CD1-CB 3.87Å; I36-R66 PolarHBondContact N-O 3.48Å; I36-V67 WeakPolarHBondContact O-CA 3.44Å; I36-H68 PolarHBondContact O-N 3.26Å; I36-V128 HydrophobicContact CG2-CG2 3.97Å; I36-L145 HydrophobicContact CD1-CD1 4.23Å; I36-L145 HydrophobicContact CG1-CD1 3.79Å; I36-L145 HydrophobicContact CG1-CD2 4.17Å; I36-L145 HydrophobicContact CG2-CD2 4.35Å |
| 37 | G | 98.9 | Very high | 98.3 | Very high | 0 Ų | 0 | 45.6 Ų | 45.6 | 0% | 0 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.9 | 131.7 | 169.5 | 0 | 0 | 0 | 0 | 0 | 111.5 | H68 Y126 L127 V128 | G37-H68 CarbonylContact C-O 3.56Å; G37-H68 VanDerWaalsContact CA-O 3.27Å; G37-H68 WeakPolarHBondContact CA-O 3.33Å; G37-Y126 PolarHBondContact N-O 3.48Å; G37-L127 CarbonylContact O-C 3.47Å; G37-L127 WeakPolarHBondContact O-CA 3.47Å; G37-V128 PolarHBondContact O-N 2.91Å |
| 38 | L | 98.9 | Very high | 98.3 | Very high | 0 Ų | 0 | 45.1 Ų | 45.1 | 0% | 0 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.3 | 107.8 | 171.8 | -175.3 | 63.5 | 0 | 0 | 0 | 109.5 | F53 F61 H68 Y69 Y70 V128 V130 F136 | L38-F53 HydrophobicContact CD2-CE1 3.94Å; L38-F53 HydrophobicContact CD2-CZ 3.81Å; L38-F53 HydrophobicContact CG-CZ 4.33Å; L38-F61 HydrophobicContact CB-CE1 3.86Å; L38-F61 HydrophobicContact CB-CZ 4.13Å; L38-F61 HydrophobicContact CD1-CE1 4.35Å; L38-F61 HydrophobicContact CD1-CE2 4.17Å; L38-F61 HydrophobicContact CD1-CZ 3.91Å; L38-F61 HydrophobicContact CD2-CD1 4.02Å; L38-F61 HydrophobicContact CD2-CE1 4.01Å; L38-F61 HydrophobicContact CD2-CG 4.34Å; L38-F61 HydrophobicContact CD2-CZ 4.32Å; L38-F61 HydrophobicContact CG-CE1 4.3Å; L38-F61 HydrophobicContact CG-CZ 4.35Å; L38-H68 PolarHBondContact N-O 3.32Å; L38-Y69 HydrophobicContact CB-CD1 4Å; L38-Y69 HydrophobicContact CB-CE1 4.42Å; L38-Y69 HydrophobicContact CD2-CD1 3.78Å; L38-Y69 HydrophobicContact CD2-CE1 3.68Å; L38-Y69 HydrophobicContact CG-CD1 4.34Å; L38-Y70 PolarHBondContact O-N 3.43Å; L38-V128 WeakPolarHBondContact CA-O 3.35Å; L38-V128 HydrophobicContact CD1-CB 3.81Å; L38-V128 HydrophobicContact CD1-CG1 3.62Å; L38-V130 HydrophobicContact CD1-CG1 4.38Å; L38-V130 HydrophobicContact CD1-CG2 3.7Å; L38-V130 HydrophobicContact CG-CG2 4.39Å; L38-F136 HydrophobicContact CD2-CZ 4.37Å |
| 39 | T | 98.9 | Very high | 98.3 | Very high | 1 Ų | 1 | 41.6 Ų | 41.6 | 1% | 0.006 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.2 | 132.3 | 177.4 | 68.5 | 0 | 0 | 0 | 0 | 110.5 | Y70 F72 F120 L127 V128 C129 V130 | T39-Y70 WeakPolarHBondContact CA-O 3.35Å; T39-Y70 HydrophobicContact CG2-CD2 4.29Å; T39-F72 HydrophobicContact CG2-CE2 4.16Å; T39-F120 HydrophobicContact CG2-CE2 4.12Å; T39-F120 HydrophobicContact CG2-CZ 3.83Å; T39-L127 HydrophobicContact CG2-CD2 3.88Å; T39-V128 PolarHBondContact N-O 3.41Å; T39-C129 WeakPolarHBondContact OG1-CA 3.38Å; T39-C129 WeakPolarHBondContact OG1-CB 3.36Å; T39-C129 PolarHBondContact OG1-SG 2.88Å; T39-V130 PolarHBondContact O-N 3.2Å |
| 40 | V | 98.8 | Very high | 98.3 | Very high | 0 Ų | 0 | 40.7 Ų | 40.7 | 0% | 0 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.5 | 138.7 | 178.8 | 63.3 | 0 | 0 | 0 | 0 | 110.5 | L50 F53 Y70 V71 F72 V132 | V40-L50 HydrophobicContact CG1-CD2 4.39Å; V40-F53 HydrophobicContact CB-CE1 3.98Å; V40-F53 HydrophobicContact CB-CZ 4Å; V40-F53 HydrophobicContact CG1-CD1 4.48Å; V40-F53 HydrophobicContact CG1-CE1 3.92Å; V40-F53 HydrophobicContact CG1-CZ 4.45Å; V40-F53 HydrophobicContact CG2-CD1 4.34Å; V40-F53 HydrophobicContact CG2-CE1 3.96Å; V40-F53 HydrophobicContact CG2-CE2 4.19Å; V40-F53 HydrophobicContact CG2-CZ 3.87Å; V40-Y70 PolarHBondContact N-O 2.94Å; V40-V71 HydrophobicContact CG1-CB 4.49Å; V40-V71 HydrophobicContact CG1-CG2 3.97Å; V40-F72 PolarHBondContact O-N 2.78Å; V40-V132 HydrophobicContact CG2-CB 3.36Å; V40-V132 HydrophobicContact CG2-CG2 3.52Å |
| 41 | F | 98.8 | Very high | 98.4 | Very high | 17 Ų | 17 | 40.5 Ų | 40.5 | 8% | 0.075 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.7 | 120.7 | -178.8 | -73.6 | -100.7 | 0 | 0 | 0 | 110.9 | F72 R108 M111 I112 V132 | F41-F72 HydrophobicContact CD1-CB 3.34Å; F41-F72 HydrophobicContact CD1-CD1 4.47Å; F41-F72 AromaticContact CD1-CG 3.91Å; F41-F72 HydrophobicContact CD1-CG 3.91Å; F41-F72 HydrophobicContact CD2-CB 4.35Å; F41-F72 HydrophobicContact CD2-CD2 4.29Å; F41-F72 HydrophobicContact CD2-CG 4.49Å; F41-F72 HydrophobicContact CE1-CB 3.38Å; F41-F72 AromaticContact CE1-CD1 3.64Å; F41-F72 HydrophobicContact CE1-CD1 3.64Å; F41-F72 HydrophobicContact CE1-CD2 4.03Å; F41-F72 HydrophobicContact CE1-CE1 4.36Å; F41-F72 AromaticContact CE1-CG 3.43Å; F41-F72 HydrophobicContact CE1-CG 3.43Å; F41-F72 VanDerWaalsContact CE1-CG 3.43Å; F41-F72 HydrophobicContact CE2-CB 4.4Å; F41-F72 AromaticContact CE2-CD2 3.8Å; F41-F72 HydrophobicContact CE2-CD2 3.8Å; F41-F72 HydrophobicContact CE2-CE2 4.19Å; F41-F72 HydrophobicContact CE2-CG 4.08Å; F41-F72 HydrophobicContact CG-CB 3.85Å; F41-F72 HydrophobicContact CG-CG 4.41Å; F41-F72 HydrophobicContact CZ-CB 3.95Å; F41-F72 AromaticContact CZ-CD1 3.78Å; F41-F72 HydrophobicContact CZ-CD1 3.78Å; F41-F72 AromaticContact CZ-CD2 3.66Å; F41-F72 HydrophobicContact CZ-CD2 3.66Å; F41-F72 HydrophobicContact CZ-CE1 4.11Å; F41-F72 HydrophobicContact CZ-CE2 4.01Å; F41-F72 AromaticContact CZ-CG 3.53Å; F41-F72 HydrophobicContact CZ-CG 3.53Å; F41-F72 HydrophobicContact CZ-CZ 4.21Å; F41-R108 HydrophobicContact CB-CG 4.27Å; F41-R108 HydrophobicContact CD1-CG 3.84Å; F41-R108 HydrophobicContact CD2-CB 4.08Å; F41-R108 HydrophobicContact CD2-CG 3.66Å; F41-R108 HydrophobicContact CE1-CB 4.34Å; F41-R108 HydrophobicContact CE1-CG 4.07Å; F41-R108 HydrophobicContact CE2-CB 3.82Å; F41-R108 HydrophobicContact CE2-CG 3.9Å; F41-R108 HydrophobicContact CG-CB 4.46Å; F41-R108 HydrophobicContact CG-CG 3.63Å; F41-R108 HydrophobicContact CZ-CB 3.96Å; F41-R108 HydrophobicContact CZ-CG 4.1Å; F41-M111 HydrophobicContact CD1-SD 4.36Å; F41-M111 HydrophobicContact CE1-CB 3.92Å; F41-M111 HydrophobicContact CE1-CG 4.38Å; F41-M111 HydrophobicContact CE1-SD 3.57Å; F41-M111 VanDerWaalsContact CE1-SD 3.57Å; F41-M111 HydrophobicContact CZ-CB 3.88Å; F41-M111 HydrophobicContact CZ-SD 4.47Å; F41-I112 HydrophobicContact CE2-CD1 3.96Å; F41-I112 HydrophobicContact CE2-CG1 3.81Å; F41-I112 HydrophobicContact CZ-CG1 3.99Å; F41-V132 WeakPolarHBondContact O-CB 3.17Å; F41-V132 WeakPolarHBondContact O-CG1 3.36Å |
| 42 | A | 98.3 | Very high | 98.4 | Very high | 0 Ų | 0 | 36.7 Ų | 36.7 | 0% | 0 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.8 | 79.1 | 179.8 | 0 | 0 | 0 | 0 | 0 | 109.7 | V47 L50 F72 T73 V132 | A42-V47 HydrophobicContact CB-CG1 4.27Å; A42-V47 WeakPolarHBondContact O-CG1 3.38Å; A42-L50 HydrophobicContact CB-CD1 3.53Å; A42-L50 HydrophobicContact CB-CD2 3.66Å; A42-L50 HydrophobicContact CB-CG 3.52Å; A42-F72 PolarHBondContact N-O 3.37Å; A42-T73 VanDerWaalsContact O-CB 3.3Å; A42-T73 WeakPolarHBondContact O-CB 3.14Å; A42-T73 PolarHBondContact O-OG1 2.89Å; A42-V132 HydrophobicContact CB-CG2 4.31Å |
| 43 | I | 98.1 | Very high | 98.5 | Very high | 9 Ų | 9 | 30.9 Ų | 30.9 | 5% | 0.046 | 16% | 0.161 | C | C | . | . | trans | -103.2 | 136.5 | -174.4 | -56.7 | -67 | 0 | 0 | 0 | 110.1 | K45 Y46 D74 V95 A97 V104 | I43-K45 PolarHBondContact O-N 3.48Å; I43-Y46 WeakPolarHBondContact O-CB 3.43Å; I43-Y46 PolarHBondContact O-N 2.97Å; I43-D74 WeakPolarHBondContact CA-OD1 3.43Å; I43-D74 HydrophobicContact CD1-CB 4.36Å; I43-V95 HydrophobicContact CD1-CG2 3.59Å; I43-A97 HydrophobicContact CG2-CB 3.79Å; I43-V104 HydrophobicContact CB-CG1 3.82Å; I43-V104 HydrophobicContact CG1-CG1 4Å; I43-V104 HydrophobicContact CG2-CG1 4.03Å; I43-V104 HydrophobicContact CG2-CG2 4.07Å | ||
| 44 | K | 97.1 | Very high | 98.5 | Very high | 59 Ų | 59 | 25.8 Ų | 25.8 | 26% | 0.257 | 13% | 0.134 | S | C | . | . | G | 310 helix | trans | 55.3 | -128.3 | -176.4 | -57.6 | 165.6 | -173 | 176.1 | 0 | 111.5 | Y46 V47 D74 Q75 A97 Y98 K99 | K44-Y46 PolarHBondContact O-N 3.35Å; K44-Y46 VanDerWaalsContact O-N 3.1Å; K44-V47 WeakPolarHBondContact O-CG2 3.27Å; K44-V47 PolarHBondContact O-N 3.07Å; K44-D74 PolarHBondContact N-OD1 3.09Å; K44-D74 PolarHBondContact N-OD2 3.09Å; K44-Q75 PolarHBondContact O-NE2 3.22Å; K44-A97 HydrophobicContact CG-CB 4.31Å; K44-Y98 WeakPolarHBondContact CE-O 3.42Å; K44-Y98 PolarHBondContact NZ-O 3Å; K44-K99 PolarHBondContact NZ-O 3.14Å |
| 45 | K | 98 | Very high | 98.5 | Very high | 86 Ų | 86 | 28.7 Ų | 28.7 | 37% | 0.374 | 15% | 0.147 | S | C | . | . | G | 310 helix | trans | -64.7 | -13.7 | -177.6 | -63.9 | -178.3 | 176.3 | 178.2 | 0 | 113.6 | I43 V47 A48 A270 V271 N273 P274 | I43-K45 PolarHBondContact O-N 3.48Å; K45-V47 PolarHBondContact O-N 2.95Å; K45-A48 WeakPolarHBondContact O-CB 3.48Å; K45-A48 PolarHBondContact O-N 3.47Å; K45-A270 WeakPolarHBondContact CD-O 3.36Å; K45-A270 PolarHBondContact NZ-O 3.13Å; K45-A270 VanDerWaalsContact NZ-O 3.12Å; K45-V271 HydrophobicContact CB-CG2 4.11Å; K45-N273 VanDerWaalsContact CE-O 3.27Å; K45-N273 WeakPolarHBondContact CE-O 3.39Å; K45-N273 PolarHBondContact NZ-O 3.29Å; K45-P274 WeakPolarHBondContact CE-OXT 3.3Å; K45-P274 PolarHBondContact NZ-OXT 3.19Å |
| 46 | Y | 98.1 | Very high | 98.5 | Very high | 39 Ų | 39 | 28.5 Ų | 28.5 | 15% | 0.153 | 15% | 0.146 | C | C | . | . | G | 310 helix | trans | -71.2 | -11.2 | 180 | -77 | -102.5 | 0 | 0 | 0 | 113.8 | I43 K44 A48 F49 V132 D133 V271 R272 | I43-Y46 WeakPolarHBondContact O-CB 3.43Å; I43-Y46 PolarHBondContact O-N 2.97Å; K44-Y46 PolarHBondContact O-N 3.35Å; K44-Y46 VanDerWaalsContact O-N 3.1Å; Y46-A48 PolarHBondContact O-N 3.34Å; Y46-A48 VanDerWaalsContact O-N 3.15Å; Y46-F49 AromaticContact CD1-CD2 3.71Å; Y46-F49 HydrophobicContact CD1-CD2 3.71Å; Y46-F49 AromaticContact CD1-CE2 3.6Å; Y46-F49 HydrophobicContact CD1-CE2 3.6Å; Y46-F49 HydrophobicContact CE1-CD2 4.48Å; Y46-F49 HydrophobicContact CE1-CE2 4Å; Y46-F49 HydrophobicContact CG-CD2 4.2Å; Y46-F49 HydrophobicContact CG-CE2 4.12Å; Y46-F49 WeakPolarHBondContact O-CD2 3.49Å; Y46-F49 PolarHBondContact O-N 2.9Å; Y46-F49 VanDerWaalsContact O-N 3.12Å; Y46-V132 HydrophobicContact CD1-CG1 3.78Å; Y46-V132 HydrophobicContact CG-CG1 4.36Å; Y46-D133 HydrophobicContact CD1-CB 4.31Å; Y46-D133 HydrophobicContact CE1-CB 4.15Å; Y46-V271 HydrophobicContact CD2-CG2 4.16Å; Y46-V271 HydrophobicContact CE2-CG1 4.11Å; Y46-V271 HydrophobicContact CE2-CG2 3.96Å; Y46-R272 HydrophobicContact CE2-CG 4.34Å |
| 47 | V | 98.3 | Very high | 98.5 | Very high | 25 Ų | 25 | 28.5 Ų | 28.5 | 15% | 0.152 | 15% | 0.146 | C | C | . | . | G | 310 helix | trans | -57.1 | -25.3 | 168.6 | -61 | 0 | 0 | 0 | 0 | 112.9 | A42 K44 K45 F49 L50 Q75 A78 | A42-V47 HydrophobicContact CB-CG1 4.27Å; A42-V47 WeakPolarHBondContact O-CG1 3.38Å; K44-V47 WeakPolarHBondContact O-CG2 3.27Å; K44-V47 PolarHBondContact O-N 3.07Å; K45-V47 PolarHBondContact O-N 2.95Å; V47-F49 PolarHBondContact O-N 2.91Å; V47-L50 HydrophobicContact CB-CD1 4.35Å; V47-L50 HydrophobicContact CG1-CD1 4.5Å; V47-L50 WeakPolarHBondContact O-CB 3.39Å; V47-L50 PolarHBondContact O-N 3.49Å; V47-Q75 HydrophobicContact CG1-CB 4.31Å; V47-A78 HydrophobicContact CB-CB 4.1Å; V47-A78 HydrophobicContact CG1-CB 4.16Å; V47-A78 HydrophobicContact CG2-CB 4.04Å |
| 48 | A | 98.3 | Very high | 98.5 | Very high | 82 Ų | 82 | 30.7 Ų | 30.7 | 68% | 0.678 | 16% | 0.156 | S | C | * | . | G | 310 helix | trans | -61.7 | -24 | 177.3 | 0 | 0 | 0 | 0 | 0 | 113.6 | K45 Y46 | K45-A48 WeakPolarHBondContact O-CB 3.48Å; K45-A48 PolarHBondContact O-N 3.47Å; Y46-A48 PolarHBondContact O-N 3.34Å; Y46-A48 VanDerWaalsContact O-N 3.15Å |
| 49 | F | 98.6 | Very high | 98.5 | Very high | 26 Ų | 26 | 37.6 Ų | 37.6 | 11% | 0.114 | 19% | 0.186 | C | C | . | . | G | 310 helix | trans | -85.7 | -19.3 | -179.4 | -59.4 | -71.8 | 0 | 0 | 0 | 113.5 | Y46 V47 K51 L52 F53 V132 D133 V264 K266 V271 | Y46-F49 AromaticContact CD1-CD2 3.71Å; Y46-F49 HydrophobicContact CD1-CD2 3.71Å; Y46-F49 AromaticContact CD1-CE2 3.6Å; Y46-F49 HydrophobicContact CD1-CE2 3.6Å; Y46-F49 HydrophobicContact CE1-CD2 4.48Å; Y46-F49 HydrophobicContact CE1-CE2 4Å; Y46-F49 HydrophobicContact CG-CD2 4.2Å; Y46-F49 HydrophobicContact CG-CE2 4.12Å; Y46-F49 WeakPolarHBondContact O-CD2 3.49Å; Y46-F49 PolarHBondContact O-N 2.9Å; Y46-F49 VanDerWaalsContact O-N 3.12Å; V47-F49 PolarHBondContact O-N 2.91Å; F49-K51 VanDerWaalsContact C-N 3.29Å; F49-K51 PolarHBondContact O-N 2.83Å; F49-L52 PolarHBondContact O-N 3.38Å; F49-F53 WeakPolarHBondContact O-CB 3.38Å; F49-F53 PolarHBondContact O-N 2.81Å; F49-V132 HydrophobicContact CB-CG1 4.23Å; F49-V132 HydrophobicContact CB-CG2 4.03Å; F49-V132 VanDerWaalsContact CB-O 3.3Å; F49-V132 WeakPolarHBondContact CB-O 3.41Å; F49-V132 HydrophobicContact CD2-CG1 4.22Å; F49-D133 HydrophobicContact CD1-CB 4.13Å; F49-D133 HydrophobicContact CD2-CB 3.85Å; F49-D133 HydrophobicContact CE1-CB 4.11Å; F49-D133 HydrophobicContact CE2-CB 3.84Å; F49-D133 HydrophobicContact CG-CB 4.01Å; F49-D133 HydrophobicContact CZ-CB 3.98Å; F49-V264 HydrophobicContact CD1-CB 4.36Å; F49-V264 HydrophobicContact CD1-CG1 4.15Å; F49-V264 HydrophobicContact CE1-CB 4.39Å; F49-V264 HydrophobicContact CE1-CG1 4.05Å; F49-K266 HydrophobicContact CE1-CB 4.46Å; F49-K266 HydrophobicContact CZ-CB 4.04Å; F49-K266 HydrophobicContact CZ-CD 4.33Å; F49-V271 HydrophobicContact CE2-CG2 3.83Å; F49-V271 HydrophobicContact CZ-CG2 4.13Å |
| 50 | L | 98.8 | Very high | 98.4 | Very high | 0 Ų | 0 | 39.9 Ų | 39.9 | 0% | 0 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -57.8 | -39 | -171 | -79 | 172 | 0 | 0 | 0 | 113.5 | V40 A42 V47 F53 L54 V71 V79 P80 V132 | V40-L50 HydrophobicContact CG1-CD2 4.39Å; A42-L50 HydrophobicContact CB-CD1 3.53Å; A42-L50 HydrophobicContact CB-CD2 3.66Å; A42-L50 HydrophobicContact CB-CG 3.52Å; V47-L50 HydrophobicContact CB-CD1 4.35Å; V47-L50 HydrophobicContact CG1-CD1 4.5Å; V47-L50 WeakPolarHBondContact O-CB 3.39Å; V47-L50 PolarHBondContact O-N 3.49Å; L50-F53 PolarHBondContact O-N 2.56Å; L50-L54 WeakPolarHBondContact O-CB 3.48Å; L50-L54 VanDerWaalsContact O-CG 3.28Å; L50-L54 WeakPolarHBondContact O-CG 3.46Å; L50-L54 PolarHBondContact O-N 3.31Å; L50-V71 HydrophobicContact CD1-CG1 3.95Å; L50-V71 HydrophobicContact CD2-CG1 3.75Å; L50-V71 HydrophobicContact CD2-CG2 4.36Å; L50-V79 HydrophobicContact CD1-CG1 4.45Å; L50-V79 HydrophobicContact CD1-CG2 4.16Å; L50-P80 HydrophobicContact CB-CG 3.85Å; L50-V132 HydrophobicContact CD2-CG2 3.76Å; L50-V132 HydrophobicContact CG-CG2 4.16Å |
| 51 | K | 98.6 | Very high | 98.4 | Very high | 110 Ų | 110 | 40.1 Ų | 40.1 | 48% | 0.478 | 20% | 0.197 | S | C | . | . | H | α-helix | trans | -63.6 | -51.5 | -175.6 | -175 | 177 | -179.5 | -65.1 | 0 | 110.7 | F49 E55 P80 | F49-K51 VanDerWaalsContact C-N 3.29Å; F49-K51 PolarHBondContact O-N 2.83Å; K51-E55 WeakPolarHBondContact CE-OE1 3.32Å; K51-E55 HydrophobicContact CG-CG 4.44Å; K51-E55 IonicContact NZ-OE1 2.93Å; K51-E55 PolarHBondContact NZ-OE1 2.68Å; K51-E55 IonicContact NZ-OE2 3.3Å; K51-E55 PolarHBondContact NZ-OE2 3.02Å; K51-E55 VanDerWaalsContact O-CB 3.28Å; K51-E55 WeakPolarHBondContact O-CB 3.42Å; K51-E55 VanDerWaalsContact O-CG 3.22Å; K51-E55 WeakPolarHBondContact O-CG 3.46Å; K51-E55 PolarHBondContact O-N 3.06Å; K51-P80 HydrophobicContact CB-CB 4.14Å; K51-P80 HydrophobicContact CB-CG 3.99Å; K51-P80 HydrophobicContact CG-CB 4.44Å |
| 52 | L | 98.8 | Very high | 98.4 | Very high | 66 Ų | 66 | 39.3 Ų | 39.3 | 35% | 0.346 | 19% | 0.194 | S | C | . | . | H | α-helix | trans | -64.1 | -44 | 178.3 | 179.5 | 62.3 | 0 | 0 | 0 | 111.1 | F49 T56 E135 V264 | F49-L52 PolarHBondContact O-N 3.38Å; L52-T56 HydrophobicContact CD1-CG2 3.88Å; L52-T56 WeakPolarHBondContact O-CB 3.39Å; L52-T56 WeakPolarHBondContact O-CG2 3.45Å; L52-T56 PolarHBondContact O-N 3.32Å; L52-T56 PolarHBondContact O-OG1 2.88Å; L52-E135 HydrophobicContact CD2-CB 4.06Å; L52-E135 HydrophobicContact CG-CB 3.99Å; L52-V264 HydrophobicContact CD2-CG2 3.81Å |
| 53 | F | 98.9 | Very high | 98.4 | Very high | 0 Ų | 0 | 43.5 Ų | 43.5 | 0% | 0 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -56.2 | -53.3 | 178.3 | 176.6 | -87.7 | 0 | 0 | 0 | 111.9 | L38 V40 F49 L50 T56 A57 V130 V132 F136 F261 | L38-F53 HydrophobicContact CD2-CE1 3.94Å; L38-F53 HydrophobicContact CD2-CZ 3.81Å; L38-F53 HydrophobicContact CG-CZ 4.33Å; V40-F53 HydrophobicContact CB-CE1 3.98Å; V40-F53 HydrophobicContact CB-CZ 4Å; V40-F53 HydrophobicContact CG1-CD1 4.48Å; V40-F53 HydrophobicContact CG1-CE1 3.92Å; V40-F53 HydrophobicContact CG1-CZ 4.45Å; V40-F53 HydrophobicContact CG2-CD1 4.34Å; V40-F53 HydrophobicContact CG2-CE1 3.96Å; V40-F53 HydrophobicContact CG2-CE2 4.19Å; V40-F53 HydrophobicContact CG2-CZ 3.87Å; F49-F53 WeakPolarHBondContact O-CB 3.38Å; F49-F53 PolarHBondContact O-N 2.81Å; L50-F53 PolarHBondContact O-N 2.56Å; F53-T56 PolarHBondContact O-N 3.46Å; F53-T56 PolarHBondContact O-OG1 2.92Å; F53-T56 VanDerWaalsContact O-OG1 3.1Å; F53-A57 VanDerWaalsContact O-CB 3.3Å; F53-A57 WeakPolarHBondContact O-CB 3.26Å; F53-A57 PolarHBondContact O-N 2.91Å; F53-V130 HydrophobicContact CE2-CG2 3.64Å; F53-V130 HydrophobicContact CZ-CG2 3.49Å; F53-V130 VanDerWaalsContact CZ-CG2 3.49Å; F53-V132 HydrophobicContact CB-CG2 4.37Å; F53-V132 HydrophobicContact CG-CG2 4.37Å; F53-F136 HydrophobicContact CD2-CE2 4.24Å; F53-F136 AromaticContact CE2-CE2 3.83Å; F53-F136 HydrophobicContact CE2-CE2 3.83Å; F53-F136 HydrophobicContact CE2-CZ 4.38Å; F53-F136 HydrophobicContact CZ-CE2 4.02Å; F53-F136 HydrophobicContact CZ-CZ 4.44Å; F53-F261 HydrophobicContact CD2-CE2 4.27Å; F53-F261 AromaticContact CE2-CE2 3.93Å; F53-F261 HydrophobicContact CE2-CE2 3.93Å; F53-F261 AromaticContact CE2-CZ 3.96Å; F53-F261 HydrophobicContact CE2-CZ 3.96Å |
| 54 | L | 98.8 | Very high | 98.3 | Very high | 0 Ų | 0 | 46.2 Ų | 46.2 | 0% | 0 | 25% | 0.25 | C | C | . | . | H | α-helix | trans | -69.6 | -42.4 | -177.4 | -68.6 | 170.9 | 0 | 0 | 0 | 112.1 | L50 T56 A57 E58 Y69 P80 V82 L90 | L50-L54 WeakPolarHBondContact O-CB 3.48Å; L50-L54 VanDerWaalsContact O-CG 3.28Å; L50-L54 WeakPolarHBondContact O-CG 3.46Å; L50-L54 PolarHBondContact O-N 3.31Å; L54-T56 VanDerWaalsContact C-N 3.27Å; L54-T56 PolarHBondContact O-N 2.81Å; L54-A57 PolarHBondContact O-N 2.88Å; L54-E58 WeakPolarHBondContact O-CG 3.12Å; L54-E58 PolarHBondContact O-N 2.77Å; L54-Y69 HydrophobicContact CD2-CD1 3.96Å; L54-Y69 HydrophobicContact CD2-CE1 4.43Å; L54-Y69 HydrophobicContact CD2-CG 4.15Å; L54-P80 HydrophobicContact CD1-CG 4.31Å; L54-V82 HydrophobicContact CB-CB 4.31Å; L54-V82 HydrophobicContact CB-CG1 4.2Å; L54-V82 HydrophobicContact CB-CG2 3.91Å; L54-V82 HydrophobicContact CD1-CG2 4.07Å; L54-L90 HydrophobicContact CD1-CD1 3.75Å; L54-L90 HydrophobicContact CD2-CD1 3.99Å |
| 55 | E | 98.6 | Very high | 98.4 | Very high | 66 Ų | 66 | 44.4 Ų | 44.4 | 31% | 0.308 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -64.1 | -32.2 | 178.8 | -75 | 175.9 | 166 | 0 | 0 | 112.7 | K51 V82 | K51-E55 WeakPolarHBondContact CE-OE1 3.32Å; K51-E55 HydrophobicContact CG-CG 4.44Å; K51-E55 IonicContact NZ-OE1 2.93Å; K51-E55 PolarHBondContact NZ-OE1 2.68Å; K51-E55 IonicContact NZ-OE2 3.3Å; K51-E55 PolarHBondContact NZ-OE2 3.02Å; K51-E55 VanDerWaalsContact O-CB 3.28Å; K51-E55 WeakPolarHBondContact O-CB 3.42Å; K51-E55 VanDerWaalsContact O-CG 3.22Å; K51-E55 WeakPolarHBondContact O-CG 3.46Å; K51-E55 PolarHBondContact O-N 3.06Å; E55-V82 HydrophobicContact CG-CG1 3.97Å; E55-V82 HydrophobicContact CG-CG2 4.4Å |
| 56 | T | 98.8 | Very high | 98.4 | Very high | 12 Ų | 12 | 45.3 Ų | 45.3 | 7% | 0.074 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -82.8 | -34.7 | 175.4 | 55.7 | 0 | 0 | 0 | 0 | 112.3 | L52 F53 L54 E58 K59 H60 E135 F136 | L52-T56 HydrophobicContact CD1-CG2 3.88Å; L52-T56 WeakPolarHBondContact O-CB 3.39Å; L52-T56 WeakPolarHBondContact O-CG2 3.45Å; L52-T56 PolarHBondContact O-N 3.32Å; L52-T56 PolarHBondContact O-OG1 2.88Å; F53-T56 PolarHBondContact O-N 3.46Å; F53-T56 PolarHBondContact O-OG1 2.92Å; F53-T56 VanDerWaalsContact O-OG1 3.1Å; L54-T56 VanDerWaalsContact C-N 3.27Å; L54-T56 PolarHBondContact O-N 2.81Å; T56-E58 VanDerWaalsContact C-N 3.33Å; T56-E58 PolarHBondContact O-N 3.05Å; T56-K59 PolarHBondContact O-N 3.16Å; T56-K59 VanDerWaalsContact O-N 3.12Å; T56-H60 PolarHBondContact O-CD2 2.9Å; T56-H60 PolarHBondContact O-N 2.97Å; T56-E135 HydrophobicContact CG2-CB 4.31Å; T56-F136 VanDerWaalsContact CB-O 3.25Å; T56-F136 WeakPolarHBondContact CB-O 3.48Å; T56-F136 WeakPolarHBondContact CG2-O 3.48Å; T56-F136 PolarHBondContact OG1-N 2.81Å |
| 57 | A | 98.8 | Very high | 98.5 | Very high | 0 Ų | 0 | 43.9 Ų | 43.9 | 0% | 0 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -57.1 | -46.3 | 171.7 | 0 | 0 | 0 | 0 | 0 | 111.1 | F53 L54 K59 H60 F61 Y69 F136 | F53-A57 VanDerWaalsContact O-CB 3.3Å; F53-A57 WeakPolarHBondContact O-CB 3.26Å; F53-A57 PolarHBondContact O-N 2.91Å; L54-A57 PolarHBondContact O-N 2.88Å; A57-K59 PolarHBondContact O-N 2.77Å; A57-H60 PolarHBondContact O-N 2.89Å; A57-F61 HydrophobicContact CB-CB 4.14Å; A57-F61 WeakPolarHBondContact O-CA 3.35Å; A57-F61 VanDerWaalsContact O-CB 3.28Å; A57-F61 WeakPolarHBondContact O-CB 3.29Å; A57-F61 PolarHBondContact O-N 2.77Å; A57-Y69 HydrophobicContact CB-CE1 3.92Å; A57-F136 HydrophobicContact CB-CD2 3.8Å; A57-F136 HydrophobicContact CB-CE2 3.66Å; A57-F136 HydrophobicContact CB-CZ 4.45Å |
| 58 | E | 98.1 | Very high | 98.5 | Very high | 46 Ų | 46 | 43.2 Ų | 43.2 | 22% | 0.215 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -57 | -25.8 | 177.4 | -78.1 | -62.6 | 119.4 | 0 | 0 | 114.3 | L54 T56 Y69 L84 G85 | L54-E58 WeakPolarHBondContact O-CG 3.12Å; L54-E58 PolarHBondContact O-N 2.77Å; T56-E58 VanDerWaalsContact C-N 3.33Å; T56-E58 PolarHBondContact O-N 3.05Å; E58-Y69 WeakPolarHBondContact OE1-CE2 3.43Å; E58-Y69 VanDerWaalsContact OE1-CZ 3.22Å; E58-Y69 PolarHBondContact OE1-OH 3.29Å; E58-L84 HydrophobicContact CG-CD2 4.1Å; E58-L84 WeakPolarHBondContact OE2-CA 3.44Å; E58-G85 PolarHBondContact OE2-N 2.68Å |
| 59 | K | 98.3 | Very high | 98.5 | Very high | 146 Ų | 146 | 39.4 Ų | 39.4 | 64% | 0.635 | 20% | 0.202 | S | C | * | . | H | α-helix | trans | -87.4 | -23.8 | 179.4 | -67.7 | 173.5 | -176.1 | 174.7 | 0 | 113.7 | T56 A57 | T56-K59 PolarHBondContact O-N 3.16Å; T56-K59 VanDerWaalsContact O-N 3.12Å; A57-K59 PolarHBondContact O-N 2.77Å |
| 60 | H | 98.8 | Very high | 98.5 | Very high | 49 Ų | 49 | 38.1 Ų | 38.1 | 23% | 0.227 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -137 | -23.1 | -159.5 | -66.3 | -53.3 | 0 | 0 | 0 | 114.7 | T56 A57 F136 D138 V140 | T56-H60 PolarHBondContact O-CD2 2.9Å; T56-H60 PolarHBondContact O-N 2.97Å; A57-H60 PolarHBondContact O-N 2.89Å; H60-F136 HydrophobicContact CB-CB 3.71Å; H60-F136 HydrophobicContact CB-CG 4.48Å; H60-F136 PolarHBondContact CD2-O 2.94Å; H60-D138 WeakPolarHBondContact CB-O 3.4Å; H60-V140 PolarHBondContact O-N 2.71Å |
| 61 | F | 98.8 | Very high | 98.5 | Very high | 4 Ų | 4 | 38.1 Ų | 38.1 | 2% | 0.018 | 20% | 0.196 | C | C | . | . | B | Isolated β-bridge | trans | -94.8 | 115.2 | -175.6 | -177.2 | -103.6 | 0 | 0 | 0 | 110.5 | I36 L38 A57 V63 V67 V128 F136 V140 | I36-F61 HydrophobicContact CG2-CE1 4.2Å; I36-F61 HydrophobicContact CG2-CZ 3.84Å; L38-F61 HydrophobicContact CB-CE1 3.86Å; L38-F61 HydrophobicContact CB-CZ 4.13Å; L38-F61 HydrophobicContact CD1-CE1 4.35Å; L38-F61 HydrophobicContact CD1-CE2 4.17Å; L38-F61 HydrophobicContact CD1-CZ 3.91Å; L38-F61 HydrophobicContact CD2-CD1 4.02Å; L38-F61 HydrophobicContact CD2-CE1 4.01Å; L38-F61 HydrophobicContact CD2-CG 4.34Å; L38-F61 HydrophobicContact CD2-CZ 4.32Å; L38-F61 HydrophobicContact CG-CE1 4.3Å; L38-F61 HydrophobicContact CG-CZ 4.35Å; A57-F61 HydrophobicContact CB-CB 4.14Å; A57-F61 WeakPolarHBondContact O-CA 3.35Å; A57-F61 VanDerWaalsContact O-CB 3.28Å; A57-F61 WeakPolarHBondContact O-CB 3.29Å; A57-F61 PolarHBondContact O-N 2.77Å; F61-V63 PolarHBondContact O-N 3.28Å; F61-V67 HydrophobicContact CD1-CG1 4.05Å; F61-V67 HydrophobicContact CD1-CG2 4.35Å; F61-V67 HydrophobicContact CE1-CG1 3.91Å; F61-V67 HydrophobicContact CE1-CG2 4.38Å; F61-V128 HydrophobicContact CE2-CB 4.39Å; F61-V128 HydrophobicContact CE2-CG1 4.21Å; F61-V128 HydrophobicContact CE2-CG2 4.27Å; F61-V128 HydrophobicContact CZ-CB 4.13Å; F61-V128 HydrophobicContact CZ-CG1 4.42Å; F61-V128 HydrophobicContact CZ-CG2 4.04Å; F61-F136 HydrophobicContact CB-CD1 4.45Å; F61-F136 HydrophobicContact CB-CE1 4.19Å; F61-F136 HydrophobicContact CB-CZ 4.39Å; F61-F136 AromaticContact CD2-CE1 3.94Å; F61-F136 HydrophobicContact CD2-CE1 3.94Å; F61-F136 HydrophobicContact CD2-CZ 4.23Å; F61-F136 HydrophobicContact CG-CE1 4.42Å; F61-F136 HydrophobicContact CG-CZ 4.49Å; F61-V140 CarbonylContact C-O 3.28Å; F61-V140 WeakPolarHBondContact CA-O 3.3Å; F61-V140 HydrophobicContact CD2-CB 4.34Å; F61-V140 HydrophobicContact CD2-CG1 3.98Å; F61-V140 HydrophobicContact CE2-CG1 4.31Å |
| 62 | M | 98.6 | Very high | 98.6 | Very high | 1 Ų | 1 | 32.9 Ų | 32.9 | 1% | 0.005 | 17% | 0.173 | C | C | . | . | S | Bend | trans | 52.7 | 30.4 | 170.9 | -57.4 | -66.7 | 172.9 | 0 | 0 | 114.2 | I36 G64 H65 V67 V140 G141 V142 I144 L145 | I36-M62 HydrophobicContact CB-CG 4.29Å; I36-M62 HydrophobicContact CD1-CB 4.45Å; I36-M62 HydrophobicContact CD1-CG 4.34Å; I36-M62 HydrophobicContact CD1-SD 4.24Å; I36-M62 HydrophobicContact CG1-CE 4.49Å; I36-M62 HydrophobicContact CG1-CG 4.2Å; I36-M62 HydrophobicContact CG1-SD 4.09Å; I36-M62 HydrophobicContact CG2-CE 4.29Å; I36-M62 HydrophobicContact CG2-CG 4.25Å; M62-G64 PolarHBondContact O-N 3.02Å; M62-H65 HydrophobicContact CB-CB 4.43Å; M62-H65 WeakPolarHBondContact O-CB 3.46Å; M62-H65 PolarHBondContact O-N 3.3Å; M62-V67 HydrophobicContact CB-CG2 3.65Å; M62-V140 PolarHBondContact N-O 3.44Å; M62-G141 VanDerWaalsContact CE-O 3.23Å; M62-G141 WeakPolarHBondContact CE-O 3.08Å; M62-V142 HydrophobicContact SD-CG1 3.96Å; M62-I144 HydrophobicContact CE-CD1 3.53Å; M62-I144 HydrophobicContact CE-CG1 3.69Å; M62-L145 HydrophobicContact CE-CD1 4.5Å; M62-L145 HydrophobicContact CE-CD2 3.75Å; M62-L145 HydrophobicContact CE-CG 4.06Å; M62-L145 HydrophobicContact SD-CD1 4.47Å |
| 63 | V | 97.9 | Very high | 98.6 | Very high | 88 Ų | 88 | 29.8 Ų | 29.8 | 53% | 0.533 | 16% | 0.157 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -56.4 | 128.7 | -176.5 | 179.7 | 0 | 0 | 0 | 0 | 110.4 | F61 | F61-V63 PolarHBondContact O-N 3.28Š|
| 64 | G | 96.6 | Very high | 98.5 | Very high | 66 Ų | 66 | 31.7 Ų | 31.7 | 68% | 0.68 | 17% | 0.167 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 88.8 | -0.6 | -176.1 | 0 | 0 | 0 | 0 | 0 | 114.9 | M62 | M62-G64 PolarHBondContact O-N 3.02Š|
| 65 | H | 98.4 | Very high | 98.5 | Very high | 20 Ų | 20 | 35.1 Ų | 35.1 | 9% | 0.093 | 18% | 0.183 | C | C | . | . | S | Bend | trans | -112.9 | 170.3 | 172.9 | -60.3 | -92.5 | 0 | 0 | 0 | 111.1 | N26 I36 M62 V142 | N26-H65 PolarHBondContact OD1-NE2 2.82Å; I36-H65 HydrophobicContact CD1-CB 3.87Å; M62-H65 HydrophobicContact CB-CB 4.43Å; M62-H65 WeakPolarHBondContact O-CB 3.46Å; M62-H65 PolarHBondContact O-N 3.3Å; H65-V142 VanDerWaalsContact CE1-CG1 3.45Å; H65-V142 WeakPolarHBondContact CE1-CG1 3.19Å; H65-V142 WeakPolarHBondContact NE2-CG1 3.28Å |
| 66 | R | 98.6 | Very high | 98.5 | Very high | 106 Ų | 106 | 34.2 Ų | 34.2 | 40% | 0.4 | 18% | 0.183 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -80.2 | 126.6 | 178.6 | -59.5 | 170.7 | 56.7 | 75 | 4.7 | 109.1 | N33 T35 I36 | N33-R66 VanDerWaalsContact OD1-CD 3.31Å; N33-R66 WeakPolarHBondContact OD1-CD 3.27Å; T35-R66 WeakPolarHBondContact CA-O 3.17Å; T35-R66 HydrophobicContact CG2-CB 3.89Å; T35-R66 WeakPolarHBondContact OG1-CD 3.44Å; T35-R66 PolarHBondContact OG1-NE 3Å; I36-R66 PolarHBondContact N-O 3.48Å |
| 67 | V | 98.7 | Very high | 98.5 | Very high | 9 Ų | 9 | 38.7 Ų | 38.7 | 6% | 0.055 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.8 | 133.8 | -176.7 | -179.7 | 0 | 0 | 0 | 0 | 110.4 | I36 F61 M62 Y69 G87 G88 Q89 | I36-V67 WeakPolarHBondContact O-CA 3.44Å; F61-V67 HydrophobicContact CD1-CG1 4.05Å; F61-V67 HydrophobicContact CD1-CG2 4.35Å; F61-V67 HydrophobicContact CE1-CG1 3.91Å; F61-V67 HydrophobicContact CE1-CG2 4.38Å; M62-V67 HydrophobicContact CB-CG2 3.65Å; V67-Y69 HydrophobicContact CG1-CD1 4.28Å; V67-Y69 HydrophobicContact CG1-CD2 4.21Å; V67-Y69 HydrophobicContact CG1-CE1 3.86Å; V67-Y69 HydrophobicContact CG1-CE2 3.78Å; V67-Y69 HydrophobicContact CG1-CG 4.44Å; V67-G87 PolarHBondContact N-O 2.84Å; V67-G88 CarbonylContact O-C 3.54Å; V67-G88 WeakPolarHBondContact O-CA 3.23Å; V67-Q89 PolarHBondContact O-N 2.92Å |
| 68 | H | 98.8 | Very high | 98.4 | Very high | 10 Ų | 10 | 40.6 Ų | 40.6 | 5% | 0.046 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.2 | 110.4 | 171.6 | -158.9 | 151.7 | 0 | 0 | 0 | 110 | I36 G37 L38 Y70 Q89 S91 E123 V124 | I36-H68 PolarHBondContact O-N 3.26Å; G37-H68 CarbonylContact C-O 3.56Å; G37-H68 VanDerWaalsContact CA-O 3.27Å; G37-H68 WeakPolarHBondContact CA-O 3.33Å; L38-H68 PolarHBondContact N-O 3.32Å; H68-Y70 HydrophobicContact CB-CE2 3.99Å; H68-Y70 AromaticContact CD2-CE1 3.59Å; H68-Y70 AromaticContact CD2-CZ 3.67Å; H68-Y70 AromaticContact CE1-CE1 3.73Å; H68-Y70 AromaticContact CE1-CZ 3.88Å; H68-Y70 AromaticContact CG-CE1 3.94Å; H68-Y70 AromaticContact CG-CE2 3.99Å; H68-Y70 AromaticContact CG-CZ 3.55Å; H68-Y70 AromaticContact ND1-CZ 3.72Å; H68-Y70 PolarHBondContact ND1-OH 3.38Å; H68-Y70 AromaticContact NE2-CE1 3.44Å; H68-Y70 WeakPolarHBondContact NE2-CE1 3.39Å; H68-Y70 AromaticContact NE2-CZ 3.87Å; H68-Y70 WeakPolarHBondContact O-CD2 3.29Å; H68-Q89 CarbonylContact C-O 3.58Å; H68-Q89 WeakPolarHBondContact CA-O 3.5Å; H68-S91 PolarHBondContact NE2-OG 3.33Å; H68-E123 IonicContact CE1-OE2 3.97Å; H68-E123 IonicContact ND1-OE2 3.3Å; H68-V124 HydrophobicContact CB-CG1 4Å |
| 69 | Y | 98.9 | Very high | 98.5 | Very high | 2 Ų | 2 | 39.4 Ų | 39.4 | 1% | 0.008 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -80.7 | 128.2 | 174 | -57.3 | -79.4 | 0 | 0 | 0 | 110.8 | L38 L54 A57 E58 V67 L84 Q89 L90 S91 | L38-Y69 HydrophobicContact CB-CD1 4Å; L38-Y69 HydrophobicContact CB-CE1 4.42Å; L38-Y69 HydrophobicContact CD2-CD1 3.78Å; L38-Y69 HydrophobicContact CD2-CE1 3.68Å; L38-Y69 HydrophobicContact CG-CD1 4.34Å; L54-Y69 HydrophobicContact CD2-CD1 3.96Å; L54-Y69 HydrophobicContact CD2-CE1 4.43Å; L54-Y69 HydrophobicContact CD2-CG 4.15Å; A57-Y69 HydrophobicContact CB-CE1 3.92Å; E58-Y69 WeakPolarHBondContact OE1-CE2 3.43Å; E58-Y69 VanDerWaalsContact OE1-CZ 3.22Å; E58-Y69 PolarHBondContact OE1-OH 3.29Å; V67-Y69 HydrophobicContact CG1-CD1 4.28Å; V67-Y69 HydrophobicContact CG1-CD2 4.21Å; V67-Y69 HydrophobicContact CG1-CE1 3.86Å; V67-Y69 HydrophobicContact CG1-CE2 3.78Å; V67-Y69 HydrophobicContact CG1-CG 4.44Å; Y69-L84 HydrophobicContact CD2-CD1 4.46Å; Y69-L84 HydrophobicContact CD2-CD2 4.19Å; Y69-L84 HydrophobicContact CE2-CD2 3.95Å; Y69-Q89 VanDerWaalsContact CD2-O 3.3Å; Y69-Q89 WeakPolarHBondContact CD2-O 3.4Å; Y69-Q89 PolarHBondContact N-O 2.83Å; Y69-L90 HydrophobicContact CD2-CB 4.48Å; Y69-L90 CarbonylContact O-C 3.6Å; Y69-L90 WeakPolarHBondContact O-CA 3.39Å; Y69-S91 PolarHBondContact O-N 2.98Å |
| 70 | Y | 98.9 | Very high | 98.4 | Very high | 0 Ų | 0 | 34 Ų | 34 | 0% | 0 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.1 | 100.6 | 174.1 | -60.1 | -76.3 | 0 | 0 | 0 | 109.3 | L38 T39 V40 H68 L93 F120 E123 V124 | L38-Y70 PolarHBondContact O-N 3.43Å; T39-Y70 WeakPolarHBondContact CA-O 3.35Å; T39-Y70 HydrophobicContact CG2-CD2 4.29Å; V40-Y70 PolarHBondContact N-O 2.94Å; H68-Y70 HydrophobicContact CB-CE2 3.99Å; H68-Y70 AromaticContact CD2-CE1 3.59Å; H68-Y70 AromaticContact CD2-CZ 3.67Å; H68-Y70 AromaticContact CE1-CE1 3.73Å; H68-Y70 AromaticContact CE1-CZ 3.88Å; H68-Y70 AromaticContact CG-CE1 3.94Å; H68-Y70 AromaticContact CG-CE2 3.99Å; H68-Y70 AromaticContact CG-CZ 3.55Å; H68-Y70 AromaticContact ND1-CZ 3.72Å; H68-Y70 PolarHBondContact ND1-OH 3.38Å; H68-Y70 AromaticContact NE2-CE1 3.44Å; H68-Y70 WeakPolarHBondContact NE2-CE1 3.39Å; H68-Y70 AromaticContact NE2-CZ 3.87Å; H68-Y70 WeakPolarHBondContact O-CD2 3.29Å; Y70-L93 HydrophobicContact CD1-CD1 4.07Å; Y70-L93 HydrophobicContact CG-CD1 4.43Å; Y70-F120 HydrophobicContact CD1-CD1 4.32Å; Y70-F120 AromaticContact CD1-CE1 3.61Å; Y70-F120 HydrophobicContact CD1-CE1 3.61Å; Y70-F120 HydrophobicContact CD2-CD1 4.08Å; Y70-F120 AromaticContact CD2-CE1 3.59Å; Y70-F120 HydrophobicContact CD2-CE1 3.59Å; Y70-F120 HydrophobicContact CD2-CZ 4.32Å; Y70-F120 AromaticContact CE1-CD1 3.95Å; Y70-F120 HydrophobicContact CE1-CD1 3.95Å; Y70-F120 AromaticContact CE1-CE1 3.7Å; Y70-F120 HydrophobicContact CE1-CE1 3.7Å; Y70-F120 AromaticContact CE2-CD1 3.69Å; Y70-F120 HydrophobicContact CE2-CD1 3.69Å; Y70-F120 AromaticContact CE2-CE1 3.69Å; Y70-F120 HydrophobicContact CE2-CE1 3.69Å; Y70-F120 HydrophobicContact CG-CD1 4.36Å; Y70-F120 AromaticContact CG-CE1 3.52Å; Y70-F120 HydrophobicContact CG-CE1 3.52Å; Y70-F120 HydrophobicContact CG-CZ 4.22Å; Y70-F120 AromaticContact CZ-CD1 3.6Å; Y70-F120 AromaticContact CZ-CE1 3.72Å; Y70-E123 WeakPolarHBondContact CE1-OE2 3.46Å; Y70-E123 VanDerWaalsContact CZ-OE2 3.26Å; Y70-E123 VanDerWaalsContact OH-CB 3.25Å; Y70-E123 WeakPolarHBondContact OH-CB 3.33Å; Y70-E123 PolarHBondContact OH-OE2 3.48Å; Y70-V124 HydrophobicContact CE2-CG1 4.1Å |
| 71 | V | 98.8 | Very high | 98.3 | Very high | 0 Ų | 0 | 43.8 Ų | 43.8 | 0% | 0 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.1 | 105.6 | -179 | -179.8 | 0 | 0 | 0 | 0 | 109 | V40 L50 V79 L90 S91 L93 | V40-V71 HydrophobicContact CG1-CB 4.49Å; V40-V71 HydrophobicContact CG1-CG2 3.97Å; L50-V71 HydrophobicContact CD1-CG1 3.95Å; L50-V71 HydrophobicContact CD2-CG1 3.75Å; L50-V71 HydrophobicContact CD2-CG2 4.36Å; V71-V79 HydrophobicContact CG1-CG1 4.4Å; V71-V79 HydrophobicContact CG1-CG2 3.99Å; V71-L90 HydrophobicContact CG2-CD1 4.02Å; V71-L90 HydrophobicContact CG2-CD2 4.28Å; V71-L90 HydrophobicContact CG2-CG 4.14Å; V71-S91 PolarHBondContact N-O 3.23Å; V71-L93 PolarHBondContact O-N 3.21Å |
| 72 | F | 98.8 | Very high | 98.2 | Very high | 0 Ų | 0 | 44.9 Ų | 44.9 | 0% | 0 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.7 | 122.7 | 173.1 | -69.1 | -98.2 | 0 | 0 | 0 | 109.8 | T39 V40 F41 A42 L93 V95 M111 F115 F120 | T39-F72 HydrophobicContact CG2-CE2 4.16Å; V40-F72 PolarHBondContact O-N 2.78Å; F41-F72 HydrophobicContact CD1-CB 3.34Å; F41-F72 HydrophobicContact CD1-CD1 4.47Å; F41-F72 AromaticContact CD1-CG 3.91Å; F41-F72 HydrophobicContact CD1-CG 3.91Å; F41-F72 HydrophobicContact CD2-CB 4.35Å; F41-F72 HydrophobicContact CD2-CD2 4.29Å; F41-F72 HydrophobicContact CD2-CG 4.49Å; F41-F72 HydrophobicContact CE1-CB 3.38Å; F41-F72 AromaticContact CE1-CD1 3.64Å; F41-F72 HydrophobicContact CE1-CD1 3.64Å; F41-F72 HydrophobicContact CE1-CD2 4.03Å; F41-F72 HydrophobicContact CE1-CE1 4.36Å; F41-F72 AromaticContact CE1-CG 3.43Å; F41-F72 HydrophobicContact CE1-CG 3.43Å; F41-F72 VanDerWaalsContact CE1-CG 3.43Å; F41-F72 HydrophobicContact CE2-CB 4.4Å; F41-F72 AromaticContact CE2-CD2 3.8Å; F41-F72 HydrophobicContact CE2-CD2 3.8Å; F41-F72 HydrophobicContact CE2-CE2 4.19Å; F41-F72 HydrophobicContact CE2-CG 4.08Å; F41-F72 HydrophobicContact CG-CB 3.85Å; F41-F72 HydrophobicContact CG-CG 4.41Å; F41-F72 HydrophobicContact CZ-CB 3.95Å; F41-F72 AromaticContact CZ-CD1 3.78Å; F41-F72 HydrophobicContact CZ-CD1 3.78Å; F41-F72 AromaticContact CZ-CD2 3.66Å; F41-F72 HydrophobicContact CZ-CD2 3.66Å; F41-F72 HydrophobicContact CZ-CE1 4.11Å; F41-F72 HydrophobicContact CZ-CE2 4.01Å; F41-F72 AromaticContact CZ-CG 3.53Å; F41-F72 HydrophobicContact CZ-CG 3.53Å; F41-F72 HydrophobicContact CZ-CZ 4.21Å; A42-F72 PolarHBondContact N-O 3.37Å; F72-L93 WeakPolarHBondContact CA-O 3.23Å; F72-L93 HydrophobicContact CD1-CB 3.96Å; F72-L93 HydrophobicContact CD1-CD1 4.16Å; F72-L93 HydrophobicContact CD2-CD1 4.22Å; F72-L93 HydrophobicContact CE1-CB 4.18Å; F72-L93 HydrophobicContact CE1-CD1 3.68Å; F72-L93 HydrophobicContact CE2-CD1 3.72Å; F72-L93 HydrophobicContact CG-CB 4.31Å; F72-L93 HydrophobicContact CG-CD1 4.43Å; F72-L93 HydrophobicContact CZ-CD1 3.44Å; F72-L93 VanDerWaalsContact CZ-CD1 3.44Å; F72-V95 HydrophobicContact CB-CG2 4.28Å; F72-V95 HydrophobicContact CD1-CG1 3.85Å; F72-M111 HydrophobicContact CD1-CB 4.45Å; F72-M111 HydrophobicContact CE1-CB 4.19Å; F72-F115 AromaticContact CE1-CD2 3.5Å; F72-F115 HydrophobicContact CE1-CD2 3.5Å; F72-F115 AromaticContact CE1-CE2 3.69Å; F72-F115 HydrophobicContact CE1-CE2 3.69Å; F72-F115 AromaticContact CE1-CG 3.97Å; F72-F115 HydrophobicContact CE1-CG 3.97Å; F72-F115 HydrophobicContact CE1-CZ 4.34Å; F72-F115 HydrophobicContact CZ-CB 4.14Å; F72-F115 AromaticContact CZ-CD2 3.96Å; F72-F115 HydrophobicContact CZ-CD2 3.96Å; F72-F115 HydrophobicContact CZ-CE2 4.5Å; F72-F115 AromaticContact CZ-CG 3.98Å; F72-F115 HydrophobicContact CZ-CG 3.98Å; F72-F120 HydrophobicContact CE2-CZ 4.17Å; F72-F120 AromaticContact CZ-CZ 3.89Å; F72-F120 HydrophobicContact CZ-CZ 3.89Å |
| 73 | T | 98.7 | Very high | 98 | Very high | 0 Ų | 0 | 51 Ų | 51 | 0% | 0 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -151.6 | 153.7 | -177 | -170.9 | 0 | 0 | 0 | 0 | 112.7 | A42 Q75 P76 V79 V92 L93 E94 V95 | A42-T73 VanDerWaalsContact O-CB 3.3Å; A42-T73 WeakPolarHBondContact O-CB 3.14Å; A42-T73 PolarHBondContact O-OG1 2.89Å; T73-Q75 VanDerWaalsContact C-N 3.33Å; T73-Q75 PolarHBondContact OG1-N 3.39Å; T73-Q75 VanDerWaalsContact OG1-N 3.07Å; T73-P76 HydrophobicContact CG2-CG 4.38Å; T73-V79 HydrophobicContact CG2-CG2 3.82Å; T73-V92 HydrophobicContact CG2-CG1 3.71Å; T73-L93 PolarHBondContact N-O 2.88Å; T73-E94 VanDerWaalsContact O-CA 3.31Å; T73-E94 WeakPolarHBondContact O-CA 3.44Å; T73-V95 PolarHBondContact O-N 2.84Å |
| 74 | D | 98.3 | Very high | 97.9 | Very high | 41 Ų | 41 | 49.2 Ų | 49.2 | 22% | 0.219 | 28% | 0.279 | C | S | . | . | S | Bend | trans | -89 | -3 | 167.7 | 64.3 | -33.6 | 0 | 0 | 0 | 112.4 | I43 K44 V95 A97 | I43-D74 WeakPolarHBondContact CA-OD1 3.43Å; I43-D74 HydrophobicContact CD1-CB 4.36Å; K44-D74 PolarHBondContact N-OD1 3.09Å; K44-D74 PolarHBondContact N-OD2 3.09Å; D74-V95 WeakPolarHBondContact CA-O 3.48Å; D74-A97 HydrophobicContact CB-CB 3.8Å; D74-A97 WeakPolarHBondContact OD2-CB 3.34Å |
| 75 | Q | 98.3 | Very high | 97.6 | Very high | 71 Ų | 71 | 48 Ų | 48 | 33% | 0.332 | 27% | 0.267 | S | S | . | . | trans | -135.5 | 73.3 | -176.1 | -66.6 | 159.5 | 82.5 | 0 | 0 | 110.7 | K44 V47 T73 A77 A78 | K44-Q75 PolarHBondContact O-NE2 3.22Å; V47-Q75 HydrophobicContact CG1-CB 4.31Å; T73-Q75 VanDerWaalsContact C-N 3.33Å; T73-Q75 PolarHBondContact OG1-N 3.39Å; T73-Q75 VanDerWaalsContact OG1-N 3.07Å; Q75-A77 PolarHBondContact O-N 3.46Å; Q75-A77 VanDerWaalsContact O-N 3.12Å; Q75-A78 HydrophobicContact CB-CB 3.81Å; Q75-A78 WeakPolarHBondContact O-CB 3.44Å; Q75-A78 PolarHBondContact O-N 3.08Å | ||
| 76 | P | 98.4 | Very high | 97 | Very high | 48 Ų | 48 | 54.5 Ų | 54.5 | 31% | 0.312 | 31% | 0.308 | S | S | . | . | G | 310 helix | trans | -54.4 | -36.3 | -177.2 | -28.6 | 36.2 | 0 | 0 | 0 | 114.2 | T73 A78 V79 V92 E94 | T73-P76 HydrophobicContact CG2-CG 4.38Å; P76-A78 PolarHBondContact O-N 3.1Å; P76-V79 WeakPolarHBondContact O-CG2 3.44Å; P76-V79 PolarHBondContact O-N 2.78Å; P76-V92 HydrophobicContact CB-CG1 3.89Å; P76-V92 HydrophobicContact CG-CG1 4.43Å; P76-E94 HydrophobicContact CG-CB 3.87Å; P76-E94 HydrophobicContact CG-CG 3.73Å |
| 77 | A | 98.2 | Very high | 96.4 | Very high | 106 Ų | 106 | 51.1 Ų | 51.1 | 88% | 0.876 | 31% | 0.307 | S | S | * | . | G | 310 helix | trans | -69.4 | -17.3 | 178.4 | 0 | 0 | 0 | 0 | 0 | 114.1 | Q75 | Q75-A77 PolarHBondContact O-N 3.46Å; Q75-A77 VanDerWaalsContact O-N 3.12Å |
| 78 | A | 98.2 | Very high | 96.1 | Very high | 40 Ų | 40 | 51.7 Ų | 51.7 | 33% | 0.331 | 31% | 0.314 | S | S | . | . | G | 310 helix | trans | -87.2 | -7.4 | 178 | 0 | 0 | 0 | 0 | 0 | 113.1 | V47 Q75 P76 | V47-A78 HydrophobicContact CB-CB 4.1Å; V47-A78 HydrophobicContact CG1-CB 4.16Å; V47-A78 HydrophobicContact CG2-CB 4.04Å; Q75-A78 HydrophobicContact CB-CB 3.81Å; Q75-A78 WeakPolarHBondContact O-CB 3.44Å; Q75-A78 PolarHBondContact O-N 3.08Å; P76-A78 PolarHBondContact O-N 3.1Å |
| 79 | V | 98.6 | Very high | 96 | Very high | 21 Ų | 21 | 56.3 Ų | 56.3 | 13% | 0.127 | 34% | 0.336 | C | S | . | . | S | Bend | trans | -67.5 | 122.9 | 176.4 | -178.5 | 0 | 0 | 0 | 0 | 109.1 | L50 V71 T73 P76 L90 V92 | L50-V79 HydrophobicContact CD1-CG1 4.45Å; L50-V79 HydrophobicContact CD1-CG2 4.16Å; V71-V79 HydrophobicContact CG1-CG1 4.4Å; V71-V79 HydrophobicContact CG1-CG2 3.99Å; T73-V79 HydrophobicContact CG2-CG2 3.82Å; P76-V79 WeakPolarHBondContact O-CG2 3.44Å; P76-V79 PolarHBondContact O-N 2.78Å; V79-L90 HydrophobicContact CG1-CD2 4.39Å; V79-V92 HydrophobicContact CB-CG2 4.15Å; V79-V92 HydrophobicContact CG1-CG2 4Å; V79-V92 HydrophobicContact CG2-CG1 3.9Å; V79-V92 HydrophobicContact CG2-CG2 3.99Å |
| 80 | P | 97.7 | Very high | 96 | Very high | 31 Ų | 31 | 58.7 Ų | 58.7 | 20% | 0.201 | 35% | 0.348 | C | S | . | . | trans | -69.3 | 147.2 | -176 | 28.8 | -34.6 | 0 | 0 | 0 | 111.2 | L50 K51 L54 V82 | L50-P80 HydrophobicContact CB-CG 3.85Å; K51-P80 HydrophobicContact CB-CB 4.14Å; K51-P80 HydrophobicContact CB-CG 3.99Å; K51-P80 HydrophobicContact CG-CB 4.44Å; L54-P80 HydrophobicContact CD1-CG 4.31Å; P80-V82 HydrophobicContact CB-CG2 4.28Å; P80-V82 HydrophobicContact CG-CG2 4.15Å; P80-V82 PolarHBondContact O-N 3.45Å | ||
| 81 | R | 96 | Very high | 96 | Very high | 256 Ų | 256 | 59.8 Ų | 59.8 | 97% | 0.966 | 36% | 0.356 | S | S | * | . | trans | -76.4 | 110 | 167.7 | -65.6 | -178.8 | -177 | 163.8 | 0.8 | 108.5 | ||||
| 82 | V | 96.2 | Very high | 96 | Very high | 27 Ų | 27 | 62.6 Ų | 62.6 | 16% | 0.164 | 37% | 0.373 | C | S | . | . | trans | -114.2 | 138 | 177.2 | -179.4 | 0 | 0 | 0 | 0 | 108.6 | L54 E55 P80 L84 | L54-V82 HydrophobicContact CB-CB 4.31Å; L54-V82 HydrophobicContact CB-CG1 4.2Å; L54-V82 HydrophobicContact CB-CG2 3.91Å; L54-V82 HydrophobicContact CD1-CG2 4.07Å; E55-V82 HydrophobicContact CG-CG1 3.97Å; E55-V82 HydrophobicContact CG-CG2 4.4Å; P80-V82 HydrophobicContact CB-CG2 4.28Å; P80-V82 HydrophobicContact CG-CG2 4.15Å; P80-V82 PolarHBondContact O-N 3.45Å; V82-L84 PolarHBondContact O-N 2.91Å | ||
| 83 | T | 95.6 | Very high | 95.9 | Very high | 130 Ų | 130 | 63 Ų | 63 | 80% | 0.798 | 38% | 0.375 | S | S | * | . | P | Polyproline II helix | trans | -71.7 | 119.8 | 173.9 | -56 | 0 | 0 | 0 | 0 | 108.7 | ||
| 84 | L | 95.8 | Very high | 95.9 | Very high | 49 Ų | 49 | 70 Ų | 70 | 26% | 0.257 | 41% | 0.408 | S | S | . | . | P | Polyproline II helix | trans | -97.1 | 142.3 | 175.9 | -52.3 | -179.6 | 0 | 0 | 0 | 110.1 | E58 Y69 V82 L90 | E58-L84 HydrophobicContact CG-CD2 4.1Å; E58-L84 WeakPolarHBondContact OE2-CA 3.44Å; Y69-L84 HydrophobicContact CD2-CD1 4.46Å; Y69-L84 HydrophobicContact CD2-CD2 4.19Å; Y69-L84 HydrophobicContact CE2-CD2 3.95Å; V82-L84 PolarHBondContact O-N 2.91Å; L84-L90 HydrophobicContact CD1-CB 3.79Å |
| 85 | G | 89 | Confident | 95.8 | Very high | 41 Ų | 41 | 69 Ų | 69 | 42% | 0.423 | 40% | 0.403 | S | S | . | . | P | Polyproline II helix | trans | -66.7 | 169.7 | 172.1 | 0 | 0 | 0 | 0 | 0 | 112.6 | E58 G87 G88 | E58-G85 PolarHBondContact OE2-N 2.68Å; G85-G87 PolarHBondContact O-N 2.92Å; G85-G88 PolarHBondContact O-N 2.82Å |
| 86 | T | 87.5 | Confident | 95.5 | Very high | 156 Ų | 156 | 68.1 Ų | 68.1 | 96% | 0.957 | 41% | 0.413 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.1 | 124 | 178.1 | -53.6 | 0 | 0 | 0 | 0 | 110.9 | G88 | T86-G88 VanDerWaalsContact C-N 3.33Š|
| 87 | G | 85.1 | Confident | 95.2 | Very high | 36 Ų | 36 | 68.2 Ų | 68.2 | 37% | 0.371 | 42% | 0.418 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 86 | -0.7 | -178.4 | 0 | 0 | 0 | 0 | 0 | 114.8 | V67 G85 | V67-G87 PolarHBondContact N-O 2.84Å; G85-G87 PolarHBondContact O-N 2.92Å |
| 88 | G | 92.4 | Very high | 95 | Very high | 20 Ų | 20 | 67 Ų | 67 | 21% | 0.206 | 39% | 0.391 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.4 | 135.1 | 168.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | V67 G85 T86 | V67-G88 CarbonylContact O-C 3.54Å; V67-G88 WeakPolarHBondContact O-CA 3.23Å; G85-G88 PolarHBondContact O-N 2.82Å; T86-G88 VanDerWaalsContact C-N 3.33Å |
| 89 | Q | 96.8 | Very high | 94.6 | Very high | 107 Ų | 107 | 74.2 Ų | 74.2 | 50% | 0.5 | 42% | 0.415 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.8 | 148.8 | 173.3 | -63.9 | -173.6 | -7.7 | 0 | 0 | 110 | V67 H68 Y69 | V67-Q89 PolarHBondContact O-N 2.92Å; H68-Q89 CarbonylContact C-O 3.58Å; H68-Q89 WeakPolarHBondContact CA-O 3.5Å; Y69-Q89 VanDerWaalsContact CD2-O 3.3Å; Y69-Q89 WeakPolarHBondContact CD2-O 3.4Å; Y69-Q89 PolarHBondContact N-O 2.83Å |
| 90 | L | 98.5 | Very high | 94.4 | Very high | 52 Ų | 52 | 77.9 Ų | 77.9 | 27% | 0.272 | 43% | 0.427 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.2 | 130.2 | 174.4 | -174.6 | 153.5 | 0 | 0 | 0 | 109.9 | L54 Y69 V71 V79 L84 V92 | L54-L90 HydrophobicContact CD1-CD1 3.75Å; L54-L90 HydrophobicContact CD2-CD1 3.99Å; Y69-L90 HydrophobicContact CD2-CB 4.48Å; Y69-L90 CarbonylContact O-C 3.6Å; Y69-L90 WeakPolarHBondContact O-CA 3.39Å; V71-L90 HydrophobicContact CG2-CD1 4.02Å; V71-L90 HydrophobicContact CG2-CD2 4.28Å; V71-L90 HydrophobicContact CG2-CG 4.14Å; V79-L90 HydrophobicContact CG1-CD2 4.39Å; L84-L90 HydrophobicContact CD1-CB 3.79Å; L90-V92 HydrophobicContact CD2-CG2 3.71Å |
| 91 | S | 98.5 | Very high | 94.2 | Very high | 23 Ų | 23 | 79.6 Ų | 79.6 | 16% | 0.161 | 43% | 0.429 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118 | 129 | 171.9 | -70.7 | 0 | 0 | 0 | 0 | 110.1 | H68 Y69 V71 | H68-S91 PolarHBondContact NE2-OG 3.33Å; Y69-S91 PolarHBondContact O-N 2.98Å; V71-S91 PolarHBondContact N-O 3.23Å |
| 92 | V | 98.6 | Very high | 94.1 | Very high | 59 Ų | 59 | 69.2 Ų | 69.2 | 36% | 0.358 | 39% | 0.391 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91 | 125 | 172.8 | -176.2 | 0 | 0 | 0 | 0 | 108.2 | T73 P76 V79 L90 | T73-V92 HydrophobicContact CG2-CG1 3.71Å; P76-V92 HydrophobicContact CB-CG1 3.89Å; P76-V92 HydrophobicContact CG-CG1 4.43Å; V79-V92 HydrophobicContact CB-CG2 4.15Å; V79-V92 HydrophobicContact CG1-CG2 4Å; V79-V92 HydrophobicContact CG2-CG1 3.9Å; V79-V92 HydrophobicContact CG2-CG2 3.99Å; L90-V92 HydrophobicContact CD2-CG2 3.71Å |
| 93 | L | 98.3 | Very high | 94 | Very high | 9 Ų | 9 | 69.6 Ų | 69.6 | 5% | 0.047 | 39% | 0.393 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.7 | 103.9 | -177.6 | -54.4 | -179.1 | 0 | 0 | 0 | 108.2 | Y70 V71 F72 T73 V95 F115 | Y70-L93 HydrophobicContact CD1-CD1 4.07Å; Y70-L93 HydrophobicContact CG-CD1 4.43Å; V71-L93 PolarHBondContact O-N 3.21Å; F72-L93 WeakPolarHBondContact CA-O 3.23Å; F72-L93 HydrophobicContact CD1-CB 3.96Å; F72-L93 HydrophobicContact CD1-CD1 4.16Å; F72-L93 HydrophobicContact CD2-CD1 4.22Å; F72-L93 HydrophobicContact CE1-CB 4.18Å; F72-L93 HydrophobicContact CE1-CD1 3.68Å; F72-L93 HydrophobicContact CE2-CD1 3.72Å; F72-L93 HydrophobicContact CG-CB 4.31Å; F72-L93 HydrophobicContact CG-CD1 4.43Å; F72-L93 HydrophobicContact CZ-CD1 3.44Å; F72-L93 VanDerWaalsContact CZ-CD1 3.44Å; T73-L93 PolarHBondContact N-O 2.88Å; L93-V95 PolarHBondContact O-N 2.93Å; L93-F115 HydrophobicContact CB-CE1 4.27Å; L93-F115 HydrophobicContact CB-CZ 4.12Å; L93-F115 HydrophobicContact CD1-CD1 3.66Å; L93-F115 HydrophobicContact CD1-CE1 3.64Å; L93-F115 HydrophobicContact CD1-CG 4.2Å; L93-F115 HydrophobicContact CD1-CZ 4.14Å; L93-F115 HydrophobicContact CD2-CD1 4.33Å; L93-F115 HydrophobicContact CD2-CE1 3.68Å; L93-F115 HydrophobicContact CD2-CZ 4.32Å; L93-F115 HydrophobicContact CG-CE1 4.06Å; L93-F115 HydrophobicContact CG-CZ 4.42Å |
| 94 | E | 97.9 | Very high | 93.9 | Very high | 147 Ų | 147 | 64.9 Ų | 64.9 | 69% | 0.687 | 36% | 0.364 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -71.8 | 128.3 | -179.6 | -170.3 | 172.8 | -174.9 | 0 | 0 | 110.9 | T73 P76 | T73-E94 VanDerWaalsContact O-CA 3.31Å; T73-E94 WeakPolarHBondContact O-CA 3.44Å; P76-E94 HydrophobicContact CG-CB 3.87Å; P76-E94 HydrophobicContact CG-CG 3.73Å |
| 95 | V | 96.3 | Very high | 93.8 | Very high | 20 Ų | 20 | 63.8 Ų | 63.8 | 12% | 0.121 | 36% | 0.36 | C | S | . | . | trans | -140 | 155.6 | 179.5 | -65.6 | 0 | 0 | 0 | 0 | 111.3 | I43 F72 T73 D74 L93 M111 | I43-V95 HydrophobicContact CD1-CG2 3.59Å; F72-V95 HydrophobicContact CB-CG2 4.28Å; F72-V95 HydrophobicContact CD1-CG1 3.85Å; T73-V95 PolarHBondContact O-N 2.84Å; D74-V95 WeakPolarHBondContact CA-O 3.48Å; L93-V95 PolarHBondContact O-N 2.93Å; V95-M111 HydrophobicContact CB-CE 4.04Å; V95-M111 HydrophobicContact CB-SD 3.88Å; V95-M111 HydrophobicContact CG1-SD 3.91Å; V95-M111 HydrophobicContact CG2-CE 4.33Å; V95-M111 HydrophobicContact CG2-SD 3.92Å | ||
| 96 | G | 91.4 | Very high | 94.1 | Very high | 53 Ų | 53 | 62.9 Ų | 62.9 | 55% | 0.546 | 35% | 0.345 | S | S | . | . | trans | -68.9 | 145.7 | 177.9 | 0 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 97 | A | 92.6 | Very high | 94.6 | Very high | 49 Ų | 49 | 57.1 Ų | 57.1 | 41% | 0.405 | 31% | 0.306 | S | S | . | . | trans | -93.9 | 115.7 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | I43 K44 D74 | I43-A97 HydrophobicContact CG2-CB 3.79Å; K44-A97 HydrophobicContact CG-CB 4.31Å; D74-A97 HydrophobicContact CB-CB 3.8Å; D74-A97 WeakPolarHBondContact OD2-CB 3.34Å | ||
| 98 | Y | 93.1 | Very high | 95.2 | Very high | 80 Ų | 80 | 56 Ų | 56 | 31% | 0.314 | 29% | 0.29 | S | S | . | . | trans | -72.4 | 149.4 | 171.3 | -71 | -95.2 | 0 | 0 | 0 | 111.6 | K44 D103 V104 R107 M111 | K44-Y98 WeakPolarHBondContact CE-O 3.42Å; K44-Y98 PolarHBondContact NZ-O 3Å; Y98-D103 HydrophobicContact CD1-CB 3.96Å; Y98-D103 HydrophobicContact CG-CB 3.88Å; Y98-V104 WeakPolarHBondContact O-CG2 3.47Å; Y98-R107 HydrophobicContact CD1-CG 4.41Å; Y98-R107 HydrophobicContact CD2-CB 4.12Å; Y98-R107 HydrophobicContact CD2-CG 3.88Å; Y98-R107 HydrophobicContact CE1-CG 4.07Å; Y98-R107 HydrophobicContact CE2-CB 3.76Å; Y98-R107 HydrophobicContact CE2-CG 3.5Å; Y98-R107 HydrophobicContact CG-CG 4.32Å; Y98-R107 WeakPolarHBondContact OH-CD 3.23Å; Y98-M111 HydrophobicContact CE2-CE 3.91Å | ||
| 99 | K | 91.7 | Very high | 95.4 | Very high | 193 Ų | 193 | 55.1 Ų | 55.1 | 84% | 0.839 | 28% | 0.281 | S | S | * | . | S | Bend | trans | -65.7 | -48.6 | -176.3 | -173.7 | 177.7 | 178.9 | 179.9 | 0 | 112.8 | K44 | K44-K99 PolarHBondContact NZ-O 3.14Š|
| 100 | R | 94.1 | Very high | 95.5 | Very high | 97 Ų | 97 | 52.3 Ų | 52.3 | 37% | 0.366 | 27% | 0.268 | S | S | . | . | S | Bend | trans | -83.2 | 143.4 | -178.3 | -59.8 | 169.2 | 59.7 | -132.6 | 5.6 | 110.4 | Q102 D103 V104 E217 | R100-Q102 PolarHBondContact O-N 3.32Å; R100-D103 HydrophobicContact CB-CB 4.38Å; R100-D103 WeakPolarHBondContact CB-OD2 3.23Å; R100-D103 WeakPolarHBondContact CD-OD2 3.28Å; R100-D103 IonicContact CZ-OD1 2.77Å; R100-D103 IonicContact NH1-OD1 3.96Å; R100-D103 PolarHBondContact NH1-OD1 3.23Å; R100-D103 IonicContact NH1-OD2 3.73Å; R100-D103 PolarHBondContact O-N 2.75Å; R100-V104 WeakPolarHBondContact O-CG2 3.08Å; R100-V104 PolarHBondContact O-N 3.3Å; R100-V104 VanDerWaalsContact O-N 3.16Å; R100-E217 IonicContact CZ-OE1 2.64Å; R100-E217 IonicContact CZ-OE2 2.69Å; R100-E217 VanDerWaalsContact CZ-OE2 3.3Å; R100-E217 IonicContact NH1-OE1 3.45Å; R100-E217 IonicContact NH1-OE2 3.81Å; R100-E217 PolarHBondContact NH1-OE2 3.03Å; R100-E217 VanDerWaalsContact NH2-CD 3.27Å; R100-E217 IonicContact NH2-OE1 3.48Å; R100-E217 PolarHBondContact NH2-OE1 2.82Å; R100-E217 IonicContact NH2-OE2 2.87Å; R100-E217 PolarHBondContact NH2-OE2 2.55Å |
| 101 | W | 93.3 | Very high | 95.5 | Very high | 68 Ų | 68 | 51.1 Ų | 51.1 | 26% | 0.258 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -66.4 | -29.8 | 176.4 | 70.7 | -94.6 | 0 | 0 | 0 | 111.7 | V104 S105 H221 R272 | W101-V104 PolarHBondContact O-N 2.82Å; W101-S105 PolarHBondContact O-N 3.04Å; W101-H221 AromaticContact CH2-CE1 3.32Å; W101-H221 WeakPolarHBondContact CH2-CE1 3.4Å; W101-H221 AromaticContact CH2-ND1 3.73Å; W101-H221 AromaticContact CZ2-CE1 3.93Å; W101-H221 AromaticContact CZ3-CE1 3.99Å; W101-R272 HydrophobicContact CB-CB 3.97Å; W101-R272 HydrophobicContact CB-CG 3.89Å; W101-R272 HydrophobicContact CG-CB 4.13Å; W101-R272 HydrophobicContact CG-CG 4Å |
| 102 | Q | 94.2 | Very high | 95.5 | Very high | 37 Ų | 37 | 50.1 Ų | 50.1 | 17% | 0.173 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -57.5 | -51.1 | 172.6 | -64 | 90.9 | -28.9 | 0 | 0 | 110.9 | R100 V104 S105 M106 H221 | R100-Q102 PolarHBondContact O-N 3.32Å; Q102-V104 VanDerWaalsContact C-N 3.31Å; Q102-V104 PolarHBondContact O-N 3.4Å; Q102-S105 WeakPolarHBondContact O-CB 3.25Å; Q102-S105 PolarHBondContact O-N 3.13Å; Q102-S105 VanDerWaalsContact O-N 3.15Å; Q102-M106 HydrophobicContact CB-CE 4.26Å; Q102-M106 WeakPolarHBondContact O-CB 3.44Å; Q102-M106 VanDerWaalsContact O-CG 3.31Å; Q102-M106 WeakPolarHBondContact O-CG 3.47Å; Q102-M106 PolarHBondContact O-N 2.97Å; Q102-H221 VanDerWaalsContact CG-CD2 3.42Å; Q102-H221 WeakPolarHBondContact CG-CD2 3.46Å; Q102-H221 WeakPolarHBondContact CG-NE2 3.33Å |
| 103 | D | 94 | Very high | 95.5 | Very high | 35 Ų | 35 | 47.5 Ų | 47.5 | 19% | 0.187 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -63.8 | -39.1 | 179.2 | -58.9 | -29.6 | 0 | 0 | 0 | 110.9 | Y98 R100 S105 M106 R107 | Y98-D103 HydrophobicContact CD1-CB 3.96Å; Y98-D103 HydrophobicContact CG-CB 3.88Å; R100-D103 HydrophobicContact CB-CB 4.38Å; R100-D103 WeakPolarHBondContact CB-OD2 3.23Å; R100-D103 WeakPolarHBondContact CD-OD2 3.28Å; R100-D103 IonicContact CZ-OD1 2.77Å; R100-D103 IonicContact NH1-OD1 3.96Å; R100-D103 PolarHBondContact NH1-OD1 3.23Å; R100-D103 IonicContact NH1-OD2 3.73Å; R100-D103 PolarHBondContact O-N 2.75Å; D103-S105 VanDerWaalsContact C-N 3.33Å; D103-S105 PolarHBondContact O-N 2.81Å; D103-M106 PolarHBondContact O-N 2.89Å; D103-R107 WeakPolarHBondContact O-CB 3.36Å; D103-R107 WeakPolarHBondContact O-CG 3.38Å; D103-R107 PolarHBondContact O-N 3.42Å |
| 104 | V | 92.2 | Very high | 95.4 | Very high | 31 Ų | 31 | 49.8 Ų | 49.8 | 19% | 0.188 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -58.7 | -44.6 | 173.8 | 173.1 | 0 | 0 | 0 | 0 | 111.1 | I43 Y98 R100 W101 Q102 R108 | I43-V104 HydrophobicContact CB-CG1 3.82Å; I43-V104 HydrophobicContact CG1-CG1 4Å; I43-V104 HydrophobicContact CG2-CG1 4.03Å; I43-V104 HydrophobicContact CG2-CG2 4.07Å; Y98-V104 WeakPolarHBondContact O-CG2 3.47Å; R100-V104 WeakPolarHBondContact O-CG2 3.08Å; R100-V104 PolarHBondContact O-N 3.3Å; R100-V104 VanDerWaalsContact O-N 3.16Å; W101-V104 PolarHBondContact O-N 2.82Å; Q102-V104 VanDerWaalsContact C-N 3.31Å; Q102-V104 PolarHBondContact O-N 3.4Å; V104-R108 WeakPolarHBondContact O-CG 3.34Å |
| 105 | S | 93.4 | Very high | 95.5 | Very high | 26 Ų | 26 | 44.2 Ų | 44.2 | 18% | 0.182 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -66.4 | -47.7 | 178.1 | -165.9 | 0 | 0 | 0 | 0 | 112.2 | W101 Q102 D103 R107 R108 D222 | W101-S105 PolarHBondContact O-N 3.04Å; Q102-S105 WeakPolarHBondContact O-CB 3.25Å; Q102-S105 PolarHBondContact O-N 3.13Å; Q102-S105 VanDerWaalsContact O-N 3.15Å; D103-S105 VanDerWaalsContact C-N 3.33Å; D103-S105 PolarHBondContact O-N 2.81Å; S105-R107 PolarHBondContact O-N 2.82Å; S105-R108 WeakPolarHBondContact O-CB 3.28Å; S105-R108 VanDerWaalsContact O-CG 3.28Å; S105-R108 WeakPolarHBondContact O-CG 3.4Å; S105-R108 PolarHBondContact O-N 3.15Å; S105-R108 PolarHBondContact O-NE 2.89Å; S105-R108 VanDerWaalsContact O-NE 3.11Å; S105-D222 WeakPolarHBondContact CB-OD1 3.49Å; S105-D222 PolarHBondContact OG-OD1 3.15Å; S105-D222 PolarHBondContact OG-OD2 3.42Å |
| 106 | M | 96.9 | Very high | 95.5 | Very high | 22 Ų | 22 | 43.2 Ų | 43.2 | 11% | 0.108 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -65.4 | -41.1 | -177.2 | -72.5 | -170 | -62 | 0 | 0 | 113 | Q102 D103 R108 M109 M208 E217 H221 | Q102-M106 HydrophobicContact CB-CE 4.26Å; Q102-M106 WeakPolarHBondContact O-CB 3.44Å; Q102-M106 VanDerWaalsContact O-CG 3.31Å; Q102-M106 WeakPolarHBondContact O-CG 3.47Å; Q102-M106 PolarHBondContact O-N 2.97Å; D103-M106 PolarHBondContact O-N 2.89Å; M106-R108 PolarHBondContact O-N 3.02Å; M106-M109 PolarHBondContact O-N 2.62Å; M106-M208 HydrophobicContact CB-CE 4.42Å; M106-M208 HydrophobicContact CB-SD 3.52Å; M106-M208 VanDerWaalsContact CB-SD 3.52Å; M106-M208 HydrophobicContact CG-SD 3.59Å; M106-M208 VanDerWaalsContact CG-SD 3.59Å; M106-M208 VanDerWaalsContact O-CE 3.29Å; M106-M208 WeakPolarHBondContact O-CE 3.32Å; M106-M208 HydrophobicContact SD-SD 3.93Å; M106-E217 HydrophobicContact CE-CG 4.26Å; M106-E217 WeakPolarHBondContact CE-OE2 3.44Å; M106-E217 HydrophobicContact SD-CG 4.2Å; M106-H221 HydrophobicContact CG-CB 3.71Å; M106-H221 HydrophobicContact SD-CB 4.09Å |
| 107 | R | 96.8 | Very high | 95.5 | Very high | 36 Ų | 36 | 46.3 Ų | 46.3 | 14% | 0.136 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -72.1 | -10.2 | -175.1 | -65.3 | -77.1 | 176.6 | -175 | -4.3 | 113.3 | Y98 D103 S105 M109 E110 M111 H205 | Y98-R107 HydrophobicContact CD1-CG 4.41Å; Y98-R107 HydrophobicContact CD2-CB 4.12Å; Y98-R107 HydrophobicContact CD2-CG 3.88Å; Y98-R107 HydrophobicContact CE1-CG 4.07Å; Y98-R107 HydrophobicContact CE2-CB 3.76Å; Y98-R107 HydrophobicContact CE2-CG 3.5Å; Y98-R107 HydrophobicContact CG-CG 4.32Å; Y98-R107 WeakPolarHBondContact OH-CD 3.23Å; D103-R107 WeakPolarHBondContact O-CB 3.36Å; D103-R107 WeakPolarHBondContact O-CG 3.38Å; D103-R107 PolarHBondContact O-N 3.42Å; S105-R107 PolarHBondContact O-N 2.82Å; R107-M109 PolarHBondContact O-N 3.04Å; R107-E110 WeakPolarHBondContact CD-OE2 3.47Å; R107-E110 IonicContact CZ-OE2 3.45Å; R107-E110 IonicContact NE-OE2 3.29Å; R107-E110 IonicContact NH1-OE1 3.76Å; R107-E110 IonicContact NH1-OE2 2.73Å; R107-E110 PolarHBondContact NH1-OE2 3.24Å; R107-E110 WeakPolarHBondContact O-CB 3.39Å; R107-E110 PolarHBondContact O-N 3.04Å; R107-M111 HydrophobicContact CB-CE 4.26Å; R107-M111 WeakPolarHBondContact O-CG 3.43Å; R107-M111 PolarHBondContact O-N 2.61Å; R107-H205 PolarHBondContact NH1-CE1 3.45Å |
| 108 | R | 97.3 | Very high | 95.6 | Very high | 12 Ų | 12 | 51.7 Ų | 51.7 | 5% | 0.045 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -55.4 | -38.9 | 169.5 | -59.9 | -174 | -60.6 | 146.5 | 4.3 | 111.7 | F41 V104 S105 M106 E110 M111 I112 D131 G187 D222 | F41-R108 HydrophobicContact CB-CG 4.27Å; F41-R108 HydrophobicContact CD1-CG 3.84Å; F41-R108 HydrophobicContact CD2-CB 4.08Å; F41-R108 HydrophobicContact CD2-CG 3.66Å; F41-R108 HydrophobicContact CE1-CB 4.34Å; F41-R108 HydrophobicContact CE1-CG 4.07Å; F41-R108 HydrophobicContact CE2-CB 3.82Å; F41-R108 HydrophobicContact CE2-CG 3.9Å; F41-R108 HydrophobicContact CG-CB 4.46Å; F41-R108 HydrophobicContact CG-CG 3.63Å; F41-R108 HydrophobicContact CZ-CB 3.96Å; F41-R108 HydrophobicContact CZ-CG 4.1Å; V104-R108 WeakPolarHBondContact O-CG 3.34Å; S105-R108 WeakPolarHBondContact O-CB 3.28Å; S105-R108 VanDerWaalsContact O-CG 3.28Å; S105-R108 WeakPolarHBondContact O-CG 3.4Å; S105-R108 PolarHBondContact O-N 3.15Å; S105-R108 PolarHBondContact O-NE 2.89Å; S105-R108 VanDerWaalsContact O-NE 3.11Å; M106-R108 PolarHBondContact O-N 3.02Å; R108-E110 PolarHBondContact O-N 2.78Å; R108-M111 PolarHBondContact O-N 3.17Å; R108-I112 HydrophobicContact CB-CD1 4.4Å; R108-I112 WeakPolarHBondContact O-CB 3.39Å; R108-I112 WeakPolarHBondContact O-CD1 3.38Å; R108-I112 WeakPolarHBondContact O-CG1 3.12Å; R108-I112 PolarHBondContact O-N 2.81Å; R108-D131 IonicContact CZ-OD1 3.48Å; R108-D131 VanDerWaalsContact CZ-OD1 3.3Å; R108-D131 IonicContact NH1-OD1 3.31Å; R108-D131 PolarHBondContact NH1-OD1 2.83Å; R108-D131 IonicContact NH2-OD1 3.45Å; R108-G187 PolarHBondContact NH2-O 3Å; R108-G187 VanDerWaalsContact NH2-O 3.12Å; R108-D222 IonicContact CZ-OD2 2.89Å; R108-D222 IonicContact NE-OD2 3.64Å; R108-D222 IonicContact NH2-OD2 3.69Å; R108-D222 PolarHBondContact NH2-OD2 3.16Å |
| 109 | M | 98.3 | Very high | 95.7 | Very high | 1 Ų | 1 | 51.7 Ų | 51.7 | 1% | 0.005 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -62.3 | -44.5 | 179.2 | -64 | -63.9 | -179.5 | 0 | 0 | 111.9 | M106 R107 S113 F190 L200 T201 C204 H205 M208 D222 | M106-M109 PolarHBondContact O-N 2.62Å; R107-M109 PolarHBondContact O-N 3.04Å; M109-S113 WeakPolarHBondContact O-CB 3.13Å; M109-S113 PolarHBondContact O-N 2.71Å; M109-S113 VanDerWaalsContact O-N 3.09Å; M109-S113 PolarHBondContact O-OG 3.48Å; M109-F190 HydrophobicContact CE-CE1 4.04Å; M109-F190 HydrophobicContact CE-CZ 4.01Å; M109-F190 HydrophobicContact SD-CZ 4.08Å; M109-L200 HydrophobicContact CE-CD2 4.37Å; M109-L200 HydrophobicContact SD-CD2 4.06Å; M109-T201 WeakPolarHBondContact O-CB 3.49Å; M109-T201 HydrophobicContact SD-CG2 3.81Å; M109-C204 HydrophobicContact CB-CB 4.37Å; M109-C204 HydrophobicContact CE-CB 4.49Å; M109-C204 HydrophobicContact CG-CB 3.95Å; M109-C204 HydrophobicContact SD-CB 4.08Å; M109-H205 HydrophobicContact CB-CB 4.2Å; M109-M208 HydrophobicContact CB-CE 3.64Å; M109-M208 HydrophobicContact CG-CE 3.58Å; M109-D222 HydrophobicContact CE-CB 3.98Å; M109-D222 HydrophobicContact CG-CB 4.32Å |
| 110 | E | 98.4 | Very high | 96 | Very high | 49 Ų | 49 | 42.5 Ų | 42.5 | 23% | 0.229 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -60.2 | -54.5 | 174.8 | -175 | 178.3 | -177.2 | 0 | 0 | 110.7 | R107 R108 I112 S113 D114 H205 | R107-E110 WeakPolarHBondContact CD-OE2 3.47Å; R107-E110 IonicContact CZ-OE2 3.45Å; R107-E110 IonicContact NE-OE2 3.29Å; R107-E110 IonicContact NH1-OE1 3.76Å; R107-E110 IonicContact NH1-OE2 2.73Å; R107-E110 PolarHBondContact NH1-OE2 3.24Å; R107-E110 WeakPolarHBondContact O-CB 3.39Å; R107-E110 PolarHBondContact O-N 3.04Å; R108-E110 PolarHBondContact O-N 2.78Å; E110-I112 PolarHBondContact O-N 3.38Å; E110-S113 PolarHBondContact O-N 2.99Å; E110-S113 VanDerWaalsContact O-N 3.09Å; E110-S113 PolarHBondContact O-OG 3.29Å; E110-D114 PolarHBondContact O-N 2.93Å; E110-H205 IonicContact OE2-CE1 3.6Å; E110-H205 PolarHBondContact OE2-CE1 2.9Å |
| 111 | M | 98 | Very high | 96.2 | Very high | 27 Ų | 27 | 42.7 Ų | 42.7 | 13% | 0.133 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -62 | -42 | -175.6 | -65.6 | 176.8 | -174.2 | 0 | 0 | 112.3 | F41 F72 V95 Y98 R107 R108 D114 F115 | F41-M111 HydrophobicContact CD1-SD 4.36Å; F41-M111 HydrophobicContact CE1-CB 3.92Å; F41-M111 HydrophobicContact CE1-CG 4.38Å; F41-M111 HydrophobicContact CE1-SD 3.57Å; F41-M111 VanDerWaalsContact CE1-SD 3.57Å; F41-M111 HydrophobicContact CZ-CB 3.88Å; F41-M111 HydrophobicContact CZ-SD 4.47Å; F72-M111 HydrophobicContact CD1-CB 4.45Å; F72-M111 HydrophobicContact CE1-CB 4.19Å; V95-M111 HydrophobicContact CB-CE 4.04Å; V95-M111 HydrophobicContact CB-SD 3.88Å; V95-M111 HydrophobicContact CG1-SD 3.91Å; V95-M111 HydrophobicContact CG2-CE 4.33Å; V95-M111 HydrophobicContact CG2-SD 3.92Å; Y98-M111 HydrophobicContact CE2-CE 3.91Å; R107-M111 HydrophobicContact CB-CE 4.26Å; R107-M111 WeakPolarHBondContact O-CG 3.43Å; R107-M111 PolarHBondContact O-N 2.61Å; R108-M111 PolarHBondContact O-N 3.17Å; M111-D114 PolarHBondContact O-N 3.06Å; M111-F115 VanDerWaalsContact O-CD2 3.29Å; M111-F115 WeakPolarHBondContact O-CD2 3.48Å; M111-F115 PolarHBondContact O-N 3.39Å; M111-F115 VanDerWaalsContact O-N 3.08Å |
| 112 | I | 98.6 | Very high | 96.4 | Very high | 1 Ų | 1 | 44.5 Ų | 44.5 | 1% | 0.005 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -62.9 | -45.6 | 175 | -65.5 | 161.1 | 0 | 0 | 0 | 109.9 | F41 R108 E110 D114 F115 C116 F120 C129 F190 V197 T201 | F41-I112 HydrophobicContact CE2-CD1 3.96Å; F41-I112 HydrophobicContact CE2-CG1 3.81Å; F41-I112 HydrophobicContact CZ-CG1 3.99Å; R108-I112 HydrophobicContact CB-CD1 4.4Å; R108-I112 WeakPolarHBondContact O-CB 3.39Å; R108-I112 WeakPolarHBondContact O-CD1 3.38Å; R108-I112 WeakPolarHBondContact O-CG1 3.12Å; R108-I112 PolarHBondContact O-N 2.81Å; E110-I112 PolarHBondContact O-N 3.38Å; I112-D114 VanDerWaalsContact C-N 3.31Å; I112-D114 PolarHBondContact O-N 2.97Å; I112-F115 PolarHBondContact O-N 3.05Å; I112-C116 PolarHBondContact O-N 3.19Å; I112-C116 PolarHBondContact O-SG 3.47Å; I112-C116 VanDerWaalsContact O-SG 3.34Å; I112-F120 HydrophobicContact CG2-CE2 4.36Å; I112-C129 HydrophobicContact CD1-CB 4.22Å; I112-F190 HydrophobicContact CD1-CZ 4.19Å; I112-V197 HydrophobicContact CG2-CG1 3.8Å; I112-T201 HydrophobicContact CB-CG2 4.02Å; I112-T201 HydrophobicContact CD1-CG2 4.42Å; I112-T201 HydrophobicContact CG2-CG2 3.78Å |
| 113 | S | 98.1 | Very high | 96.6 | Very high | 5 Ų | 5 | 45.4 Ų | 45.4 | 4% | 0.035 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -63.4 | -36.5 | -178.2 | 78.7 | 0 | 0 | 0 | 0 | 113.1 | M109 E110 C116 T201 | M109-S113 WeakPolarHBondContact O-CB 3.13Å; M109-S113 PolarHBondContact O-N 2.71Å; M109-S113 VanDerWaalsContact O-N 3.09Å; M109-S113 PolarHBondContact O-OG 3.48Å; E110-S113 PolarHBondContact O-N 2.99Å; E110-S113 VanDerWaalsContact O-N 3.09Å; E110-S113 PolarHBondContact O-OG 3.29Å; S113-C116 WeakPolarHBondContact O-CB 3.37Å; S113-T201 VanDerWaalsContact CB-OG1 3.3Å; S113-T201 WeakPolarHBondContact CB-OG1 3.44Å |
| 114 | D | 97.8 | Very high | 96.8 | Very high | 57 Ų | 57 | 44.1 Ų | 44.1 | 31% | 0.305 | 22% | 0.216 | S | C | . | . | H | α-helix | trans | -65.2 | -46.4 | 174.3 | -91.5 | 26.2 | 0 | 0 | 0 | 111.4 | E110 M111 I112 C116 E117 R118 | E110-D114 PolarHBondContact O-N 2.93Å; M111-D114 PolarHBondContact O-N 3.06Å; I112-D114 VanDerWaalsContact C-N 3.31Å; I112-D114 PolarHBondContact O-N 2.97Å; D114-C116 VanDerWaalsContact C-N 3.3Å; D114-C116 PolarHBondContact O-N 3.33Å; D114-E117 PolarHBondContact O-N 2.91Å; D114-R118 VanDerWaalsContact O-CG 3.3Å; D114-R118 WeakPolarHBondContact O-CG 3.47Å; D114-R118 PolarHBondContact O-N 2.97Å; D114-R118 VanDerWaalsContact O-N 3.13Å; D114-R118 IonicContact OD2-CZ 3.99Å; D114-R118 IonicContact OD2-NH2 2.63Å; D114-R118 PolarHBondContact OD2-NH2 3.45Å |
| 115 | F | 98.3 | Very high | 97.1 | Very high | 29 Ų | 29 | 46.4 Ų | 46.4 | 13% | 0.127 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -74.9 | -19.2 | -179.2 | -84 | -94.4 | 0 | 0 | 0 | 113.5 | F72 L93 M111 I112 E117 R118 R119 F120 | F72-F115 AromaticContact CE1-CD2 3.5Å; F72-F115 HydrophobicContact CE1-CD2 3.5Å; F72-F115 AromaticContact CE1-CE2 3.69Å; F72-F115 HydrophobicContact CE1-CE2 3.69Å; F72-F115 AromaticContact CE1-CG 3.97Å; F72-F115 HydrophobicContact CE1-CG 3.97Å; F72-F115 HydrophobicContact CE1-CZ 4.34Å; F72-F115 HydrophobicContact CZ-CB 4.14Å; F72-F115 AromaticContact CZ-CD2 3.96Å; F72-F115 HydrophobicContact CZ-CD2 3.96Å; F72-F115 HydrophobicContact CZ-CE2 4.5Å; F72-F115 AromaticContact CZ-CG 3.98Å; F72-F115 HydrophobicContact CZ-CG 3.98Å; L93-F115 HydrophobicContact CB-CE1 4.27Å; L93-F115 HydrophobicContact CB-CZ 4.12Å; L93-F115 HydrophobicContact CD1-CD1 3.66Å; L93-F115 HydrophobicContact CD1-CE1 3.64Å; L93-F115 HydrophobicContact CD1-CG 4.2Å; L93-F115 HydrophobicContact CD1-CZ 4.14Å; L93-F115 HydrophobicContact CD2-CD1 4.33Å; L93-F115 HydrophobicContact CD2-CE1 3.68Å; L93-F115 HydrophobicContact CD2-CZ 4.32Å; L93-F115 HydrophobicContact CG-CE1 4.06Å; L93-F115 HydrophobicContact CG-CZ 4.42Å; M111-F115 VanDerWaalsContact O-CD2 3.29Å; M111-F115 WeakPolarHBondContact O-CD2 3.48Å; M111-F115 PolarHBondContact O-N 3.39Å; M111-F115 VanDerWaalsContact O-N 3.08Å; I112-F115 PolarHBondContact O-N 3.05Å; F115-E117 VanDerWaalsContact C-N 3.29Å; F115-E117 PolarHBondContact O-N 3.49Å; F115-R118 PolarHBondContact O-N 3.15Å; F115-R119 HydrophobicContact CD1-CG 4.1Å; F115-R119 PolarHBondContact O-N 3.49Å; F115-F120 HydrophobicContact CB-CD2 4.05Å; F115-F120 HydrophobicContact CB-CE1 4Å; F115-F120 HydrophobicContact CB-CE2 3.39Å; F115-F120 HydrophobicContact CB-CZ 3.38Å; F115-F120 HydrophobicContact CG-CZ 4.31Å; F115-F120 WeakPolarHBondContact O-CD2 3.44Å; F115-F120 WeakPolarHBondContact O-CG 3.41Å; F115-F120 PolarHBondContact O-N 3.47Å |
| 116 | C | 97.4 | Very high | 97.4 | Very high | 0 Ų | 0 | 47.1 Ų | 47.1 | 0% | 0 | 23% | 0.226 | C | C | . | . | I | π-helix | trans | -55.5 | -47.2 | 166.2 | -74.4 | 0 | 0 | 0 | 0 | 111.1 | I112 S113 D114 F120 L121 V194 Q198 | I112-C116 PolarHBondContact O-N 3.19Å; I112-C116 PolarHBondContact O-SG 3.47Å; I112-C116 VanDerWaalsContact O-SG 3.34Å; S113-C116 WeakPolarHBondContact O-CB 3.37Å; D114-C116 VanDerWaalsContact C-N 3.3Å; D114-C116 PolarHBondContact O-N 3.33Å; C116-F120 HydrophobicContact CB-CD2 4.3Å; C116-F120 VanDerWaalsContact N-CD2 3.3Å; C116-L121 WeakPolarHBondContact O-CD1 3.34Å; C116-L121 VanDerWaalsContact O-CG 3.24Å; C116-L121 WeakPolarHBondContact O-CG 3.06Å; C116-L121 PolarHBondContact O-N 2.91Å; C116-V194 HydrophobicContact CB-CG1 4.21Å; C116-Q198 HydrophobicContact CB-CB 3.8Å; C116-Q198 HydrophobicContact CB-CG 3.82Å |
| 117 | E | 91.9 | Very high | 97.5 | Very high | 117 Ų | 117 | 46 Ų | 46 | 55% | 0.547 | 22% | 0.221 | S | C | . | . | I | π-helix | trans | -73.5 | -39.5 | 179.5 | -65 | -171.8 | 166.9 | 0 | 0 | 112.8 | D114 F115 Q198 R202 | D114-E117 PolarHBondContact O-N 2.91Å; F115-E117 VanDerWaalsContact C-N 3.29Å; F115-E117 PolarHBondContact O-N 3.49Å; E117-Q198 PolarHBondContact OE1-NE2 3.07Å; E117-R202 IonicContact OE1-CZ 3.16Å; E117-R202 IonicContact OE1-NH1 2.88Å; E117-R202 IonicContact OE1-NH2 2.72Å; E117-R202 PolarHBondContact OE1-NH2 3.2Å |
| 118 | R | 93.8 | Very high | 97.6 | Very high | 163 Ų | 163 | 44.3 Ų | 44.3 | 62% | 0.615 | 22% | 0.215 | S | C | * | . | I | π-helix | trans | -77.4 | -32 | -173.5 | -64.1 | 172.7 | -165.9 | -161.6 | 10.1 | 113.4 | D114 F115 | D114-R118 VanDerWaalsContact O-CG 3.3Å; D114-R118 WeakPolarHBondContact O-CG 3.47Å; D114-R118 PolarHBondContact O-N 2.97Å; D114-R118 VanDerWaalsContact O-N 3.13Å; D114-R118 IonicContact OD2-CZ 3.99Å; D114-R118 IonicContact OD2-NH2 2.63Å; D114-R118 PolarHBondContact OD2-NH2 3.45Å; F115-R118 PolarHBondContact O-N 3.15Å |
| 119 | R | 95.9 | Very high | 97.7 | Very high | 80 Ų | 80 | 43.8 Ų | 43.8 | 30% | 0.302 | 21% | 0.213 | S | C | . | . | I | π-helix | trans | -142 | -56.5 | -168.4 | -62.3 | -162.4 | 71.6 | 150 | 3.1 | 113.9 | F115 L121 S122 E123 | F115-R119 HydrophobicContact CD1-CG 4.1Å; F115-R119 PolarHBondContact O-N 3.49Å; R119-L121 VanDerWaalsContact C-N 3.31Å; R119-L121 PolarHBondContact O-N 3.05Å; R119-S122 PolarHBondContact O-N 3.37Å; R119-S122 PolarHBondContact O-OG 3.49Å; R119-E123 IonicContact CZ-OE1 2.78Å; R119-E123 VanDerWaalsContact CZ-OE1 3.29Å; R119-E123 IonicContact NE-OE1 2.72Å; R119-E123 PolarHBondContact NE-OE1 3.27Å; R119-E123 IonicContact NE-OE2 3.5Å; R119-E123 PolarHBondContact NE-OE2 2.93Å; R119-E123 IonicContact NH2-OE1 3.73Å; R119-E123 PolarHBondContact NH2-OE1 3.49Å; R119-E123 IonicContact NH2-OE2 3.69Å; R119-E123 PolarHBondContact O-N 2.77Å |
| 120 | F | 98.3 | Very high | 97.7 | Very high | 0 Ų | 0 | 43.9 Ų | 43.9 | 0% | 0 | 21% | 0.213 | C | C | . | . | I | π-helix | trans | -62.8 | -36.8 | -161.1 | -50.9 | -36.6 | 0 | 0 | 0 | 113 | T39 Y70 F72 I112 F115 C116 S122 E123 V124 L127 V194 | T39-F120 HydrophobicContact CG2-CE2 4.12Å; T39-F120 HydrophobicContact CG2-CZ 3.83Å; Y70-F120 HydrophobicContact CD1-CD1 4.32Å; Y70-F120 AromaticContact CD1-CE1 3.61Å; Y70-F120 HydrophobicContact CD1-CE1 3.61Å; Y70-F120 HydrophobicContact CD2-CD1 4.08Å; Y70-F120 AromaticContact CD2-CE1 3.59Å; Y70-F120 HydrophobicContact CD2-CE1 3.59Å; Y70-F120 HydrophobicContact CD2-CZ 4.32Å; Y70-F120 AromaticContact CE1-CD1 3.95Å; Y70-F120 HydrophobicContact CE1-CD1 3.95Å; Y70-F120 AromaticContact CE1-CE1 3.7Å; Y70-F120 HydrophobicContact CE1-CE1 3.7Å; Y70-F120 AromaticContact CE2-CD1 3.69Å; Y70-F120 HydrophobicContact CE2-CD1 3.69Å; Y70-F120 AromaticContact CE2-CE1 3.69Å; Y70-F120 HydrophobicContact CE2-CE1 3.69Å; Y70-F120 HydrophobicContact CG-CD1 4.36Å; Y70-F120 AromaticContact CG-CE1 3.52Å; Y70-F120 HydrophobicContact CG-CE1 3.52Å; Y70-F120 HydrophobicContact CG-CZ 4.22Å; Y70-F120 AromaticContact CZ-CD1 3.6Å; Y70-F120 AromaticContact CZ-CE1 3.72Å; F72-F120 HydrophobicContact CE2-CZ 4.17Å; F72-F120 AromaticContact CZ-CZ 3.89Å; F72-F120 HydrophobicContact CZ-CZ 3.89Å; I112-F120 HydrophobicContact CG2-CE2 4.36Å; F115-F120 HydrophobicContact CB-CD2 4.05Å; F115-F120 HydrophobicContact CB-CE1 4Å; F115-F120 HydrophobicContact CB-CE2 3.39Å; F115-F120 HydrophobicContact CB-CZ 3.38Å; F115-F120 HydrophobicContact CG-CZ 4.31Å; F115-F120 WeakPolarHBondContact O-CD2 3.44Å; F115-F120 WeakPolarHBondContact O-CG 3.41Å; F115-F120 PolarHBondContact O-N 3.47Å; C116-F120 HydrophobicContact CB-CD2 4.3Å; C116-F120 VanDerWaalsContact N-CD2 3.3Å; F120-S122 PolarHBondContact O-N 3.21Å; F120-S122 VanDerWaalsContact O-N 3.11Å; F120-E123 PolarHBondContact O-N 3.29Å; F120-E123 VanDerWaalsContact O-N 3.1Å; F120-V124 HydrophobicContact CB-CG2 4.11Å; F120-V124 PolarHBondContact O-N 2.95Å; F120-L127 HydrophobicContact CB-CD1 3.9Å; F120-L127 HydrophobicContact CB-CD2 4.21Å; F120-L127 HydrophobicContact CB-CG 4.38Å; F120-L127 HydrophobicContact CD1-CD2 4.23Å; F120-L127 HydrophobicContact CD2-CD1 3.44Å; F120-L127 VanDerWaalsContact CD2-CD1 3.44Å; F120-L127 HydrophobicContact CD2-CD2 3.9Å; F120-L127 HydrophobicContact CD2-CG 4.31Å; F120-L127 HydrophobicContact CE2-CD1 4.17Å; F120-L127 HydrophobicContact CE2-CD2 4.26Å; F120-L127 HydrophobicContact CG-CD1 3.91Å; F120-L127 HydrophobicContact CG-CD2 3.88Å; F120-L127 HydrophobicContact CG-CG 4.43Å; F120-V194 HydrophobicContact CB-CG1 3.88Å; F120-V194 HydrophobicContact CB-CG2 4.3Å |
| 121 | L | 96.7 | Very high | 97.7 | Very high | 101 Ų | 101 | 43.4 Ų | 43.4 | 53% | 0.529 | 21% | 0.212 | S | C | . | . | H | α-helix | trans | -58.1 | -25.5 | 177.5 | -78.2 | 169.3 | 0 | 0 | 0 | 113.8 | C116 R119 V194 | C116-L121 WeakPolarHBondContact O-CD1 3.34Å; C116-L121 VanDerWaalsContact O-CG 3.24Å; C116-L121 WeakPolarHBondContact O-CG 3.06Å; C116-L121 PolarHBondContact O-N 2.91Å; R119-L121 VanDerWaalsContact C-N 3.31Å; R119-L121 PolarHBondContact O-N 3.05Å; L121-V194 HydrophobicContact CB-CG1 4.44Å; L121-V194 HydrophobicContact CD2-CB 4.07Å; L121-V194 HydrophobicContact CD2-CG1 3.6Å; L121-V194 HydrophobicContact CG-CG1 3.72Å |
| 122 | S | 97.6 | Very high | 97.7 | Very high | 106 Ų | 106 | 42.3 Ų | 42.3 | 74% | 0.741 | 21% | 0.207 | S | C | * | . | H | α-helix | trans | -100.4 | -10.3 | 179.6 | 59.7 | 0 | 0 | 0 | 0 | 114.3 | R119 F120 | R119-S122 PolarHBondContact O-N 3.37Å; R119-S122 PolarHBondContact O-OG 3.49Å; F120-S122 PolarHBondContact O-N 3.21Å; F120-S122 VanDerWaalsContact O-N 3.11Å |
| 123 | E | 98.4 | Very high | 97.7 | Very high | 55 Ų | 55 | 42.8 Ų | 42.8 | 26% | 0.257 | 21% | 0.21 | S | C | . | . | H | α-helix | trans | -114.7 | -33.1 | -169.2 | -69.2 | 179.7 | 173.3 | 0 | 0 | 113 | H68 Y70 R119 F120 | H68-E123 IonicContact CE1-OE2 3.97Å; H68-E123 IonicContact ND1-OE2 3.3Å; Y70-E123 WeakPolarHBondContact CE1-OE2 3.46Å; Y70-E123 VanDerWaalsContact CZ-OE2 3.26Å; Y70-E123 VanDerWaalsContact OH-CB 3.25Å; Y70-E123 WeakPolarHBondContact OH-CB 3.33Å; Y70-E123 PolarHBondContact OH-OE2 3.48Å; R119-E123 IonicContact CZ-OE1 2.78Å; R119-E123 VanDerWaalsContact CZ-OE1 3.29Å; R119-E123 IonicContact NE-OE1 2.72Å; R119-E123 PolarHBondContact NE-OE1 3.27Å; R119-E123 IonicContact NE-OE2 3.5Å; R119-E123 PolarHBondContact NE-OE2 2.93Å; R119-E123 IonicContact NH2-OE1 3.73Å; R119-E123 PolarHBondContact NH2-OE1 3.49Å; R119-E123 IonicContact NH2-OE2 3.69Å; R119-E123 PolarHBondContact O-N 2.77Å; F120-E123 PolarHBondContact O-N 3.29Å; F120-E123 VanDerWaalsContact O-N 3.1Å |
| 124 | V | 98.8 | Very high | 97.7 | Very high | 9 Ų | 9 | 43 Ų | 43 | 6% | 0.055 | 21% | 0.21 | C | C | . | . | trans | -140 | 154.3 | -172.1 | -55.4 | 0 | 0 | 0 | 0 | 112.4 | T35 H68 Y70 F120 L127 V194 | T35-V124 HydrophobicContact CG2-CB 4.42Å; T35-V124 HydrophobicContact CG2-CG1 3.93Å; H68-V124 HydrophobicContact CB-CG1 4Å; Y70-V124 HydrophobicContact CE2-CG1 4.1Å; F120-V124 HydrophobicContact CB-CG2 4.11Å; F120-V124 PolarHBondContact O-N 2.95Å; V124-L127 HydrophobicContact CG2-CD2 3.94Å; V124-L127 HydrophobicContact CG2-CG 4.13Å; V124-V194 HydrophobicContact CG2-CG2 3.79Å; V124-V194 VanDerWaalsContact O-CG2 3.23Å; V124-V194 WeakPolarHBondContact O-CG2 3.4Å | ||
| 125 | D | 98.8 | Very high | 97.7 | Very high | 78 Ų | 78 | 41.9 Ų | 41.9 | 42% | 0.417 | 20% | 0.203 | S | C | . | . | S | Bend | trans | -87.1 | -39.1 | 177.4 | -56.6 | -63.6 | 0 | 0 | 0 | 111.5 | T34 T35 V194 | T34-D125 VanDerWaalsContact CA-OD2 3.31Å; T34-D125 WeakPolarHBondContact CA-OD2 3.46Å; T34-D125 HydrophobicContact CG2-CB 4.26Å; T35-D125 PolarHBondContact N-OD2 3.35Å; T35-D125 PolarHBondContact O-N 2.76Å; D125-V194 PolarHBondContact O-N 3.06Å |
| 126 | Y | 98.9 | Very high | 97.8 | Very high | 41 Ų | 41 | 40.6 Ų | 40.6 | 16% | 0.161 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127 | 147.8 | -178.5 | -63.6 | -87.6 | 0 | 0 | 0 | 111.1 | F29 T34 T35 G37 L145 T146 G192 | F29-Y126 HydrophobicContact CE1-CE2 4.06Å; T34-Y126 HydrophobicContact CG2-CD2 3.65Å; T34-Y126 HydrophobicContact CG2-CE2 3.85Å; T35-Y126 PolarHBondContact O-N 3.03Å; G37-Y126 PolarHBondContact N-O 3.48Å; Y126-L145 HydrophobicContact CD1-CB 4.34Å; Y126-L145 HydrophobicContact CD1-CD2 4.37Å; Y126-L145 HydrophobicContact CD2-CB 4.48Å; Y126-L145 HydrophobicContact CD2-CD1 4.07Å; Y126-L145 HydrophobicContact CD2-CD2 4.37Å; Y126-L145 HydrophobicContact CE1-CB 4.39Å; Y126-L145 HydrophobicContact CE2-CD1 4.44Å; Y126-L145 HydrophobicContact CG-CB 4.41Å; Y126-L145 HydrophobicContact CG-CD1 4.46Å; Y126-L145 HydrophobicContact CG-CD2 3.94Å; Y126-L145 HydrophobicContact CG-CG 4.49Å; Y126-T146 WeakPolarHBondContact CE1-O 3.22Å; Y126-G192 CarbonylContact C-O 3.52Å; Y126-G192 VanDerWaalsContact CA-O 3.27Å; Y126-G192 WeakPolarHBondContact CA-O 3.3Å |
| 127 | L | 98.9 | Very high | 97.8 | Very high | 0 Ų | 0 | 45.6 Ų | 45.6 | 0% | 0 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.4 | 136.1 | 170.1 | -75.5 | 166 | 0 | 0 | 0 | 110.1 | G37 T39 F120 V124 G191 G192 V194 V197 | G37-L127 CarbonylContact O-C 3.47Å; G37-L127 WeakPolarHBondContact O-CA 3.47Å; T39-L127 HydrophobicContact CG2-CD2 3.88Å; F120-L127 HydrophobicContact CB-CD1 3.9Å; F120-L127 HydrophobicContact CB-CD2 4.21Å; F120-L127 HydrophobicContact CB-CG 4.38Å; F120-L127 HydrophobicContact CD1-CD2 4.23Å; F120-L127 HydrophobicContact CD2-CD1 3.44Å; F120-L127 VanDerWaalsContact CD2-CD1 3.44Å; F120-L127 HydrophobicContact CD2-CD2 3.9Å; F120-L127 HydrophobicContact CD2-CG 4.31Å; F120-L127 HydrophobicContact CE2-CD1 4.17Å; F120-L127 HydrophobicContact CE2-CD2 4.26Å; F120-L127 HydrophobicContact CG-CD1 3.91Å; F120-L127 HydrophobicContact CG-CD2 3.88Å; F120-L127 HydrophobicContact CG-CG 4.43Å; V124-L127 HydrophobicContact CG2-CD2 3.94Å; V124-L127 HydrophobicContact CG2-CG 4.13Å; L127-G191 CarbonylContact O-C 3.59Å; L127-G191 WeakPolarHBondContact O-CA 3.48Å; L127-G192 PolarHBondContact N-O 3.22Å; L127-G192 PolarHBondContact O-N 2.85Å; L127-V194 HydrophobicContact CD1-CB 4.4Å; L127-V194 HydrophobicContact CD1-CG1 4.12Å; L127-V194 HydrophobicContact CD1-CG2 4.17Å; L127-V194 HydrophobicContact CG-CG2 4.15Å; L127-V197 HydrophobicContact CB-CB 4.29Å; L127-V197 HydrophobicContact CB-CG1 4.23Å; L127-V197 HydrophobicContact CB-CG2 3.97Å; L127-V197 HydrophobicContact CD1-CB 4.18Å; L127-V197 HydrophobicContact CD1-CG1 3.99Å |
| 128 | V | 98.9 | Very high | 98.2 | Very high | 0 Ų | 0 | 42.2 Ų | 42.2 | 0% | 0 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.4 | 124.4 | 168.3 | 178.2 | 0 | 0 | 0 | 0 | 107.3 | I36 G37 L38 T39 F61 V130 I144 F149 F189 | I36-V128 HydrophobicContact CG2-CG2 3.97Å; G37-V128 PolarHBondContact O-N 2.91Å; L38-V128 WeakPolarHBondContact CA-O 3.35Å; L38-V128 HydrophobicContact CD1-CB 3.81Å; L38-V128 HydrophobicContact CD1-CG1 3.62Å; T39-V128 PolarHBondContact N-O 3.41Å; F61-V128 HydrophobicContact CE2-CB 4.39Å; F61-V128 HydrophobicContact CE2-CG1 4.21Å; F61-V128 HydrophobicContact CE2-CG2 4.27Å; F61-V128 HydrophobicContact CZ-CB 4.13Å; F61-V128 HydrophobicContact CZ-CG1 4.42Å; F61-V128 HydrophobicContact CZ-CG2 4.04Å; V128-V130 HydrophobicContact CG1-CG1 3.88Å; V128-I144 HydrophobicContact CG2-CD1 4Å; V128-F149 HydrophobicContact CG1-CZ 4.38Å; V128-F149 HydrophobicContact CG2-CE1 4.45Å; V128-F149 HydrophobicContact CG2-CZ 4.18Å; V128-F189 HydrophobicContact CG1-CD1 4.13Å; V128-F189 HydrophobicContact CG1-CE1 3.46Å; V128-F189 VanDerWaalsContact CG1-CE1 3.46Å; V128-F189 HydrophobicContact CG1-CZ 4.1Å |
| 129 | C | 98.9 | Very high | 98.4 | Very high | 1 Ų | 1 | 36.8 Ų | 36.8 | 1% | 0.007 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.3 | 115.6 | -175.1 | -58.1 | 0 | 0 | 0 | 0 | 109.4 | T39 I112 F189 F190 | T39-C129 WeakPolarHBondContact OG1-CA 3.38Å; T39-C129 WeakPolarHBondContact OG1-CB 3.36Å; T39-C129 PolarHBondContact OG1-SG 2.88Å; I112-C129 HydrophobicContact CD1-CB 4.22Å; C129-F189 WeakPolarHBondContact O-CA 3.31Å; C129-F190 HydrophobicContact CB-CD1 4.26Å; C129-F190 HydrophobicContact CB-CD2 4.03Å; C129-F190 HydrophobicContact CB-CE1 3.84Å; C129-F190 HydrophobicContact CB-CE2 3.58Å; C129-F190 HydrophobicContact CB-CG 4.35Å; C129-F190 HydrophobicContact CB-CZ 3.48Å; C129-F190 VanDerWaalsContact CB-CZ 3.48Å; C129-F190 PolarHBondContact N-O 3.48Å; C129-F190 PolarHBondContact O-N 3.14Å; C129-F190 VanDerWaalsContact O-N 3.13Å |
| 130 | V | 98.8 | Very high | 98.6 | Very high | 2 Ų | 2 | 33 Ų | 33 | 1% | 0.012 | 17% | 0.169 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.8 | 158 | -172.7 | -61.9 | 0 | 0 | 0 | 0 | 113.5 | L38 T39 F53 V128 A188 F189 F261 | L38-V130 HydrophobicContact CD1-CG1 4.38Å; L38-V130 HydrophobicContact CD1-CG2 3.7Å; L38-V130 HydrophobicContact CG-CG2 4.39Å; T39-V130 PolarHBondContact O-N 3.2Å; F53-V130 HydrophobicContact CE2-CG2 3.64Å; F53-V130 HydrophobicContact CZ-CG2 3.49Å; F53-V130 VanDerWaalsContact CZ-CG2 3.49Å; V128-V130 HydrophobicContact CG1-CG1 3.88Å; V130-A188 WeakPolarHBondContact CA-O 3.49Å; V130-F189 HydrophobicContact CG1-CB 4.22Å; V130-F189 HydrophobicContact CG1-CD1 3.69Å; V130-F189 HydrophobicContact CG1-CD2 4.02Å; V130-F189 HydrophobicContact CG1-CE1 4.05Å; V130-F189 HydrophobicContact CG1-CE2 4.34Å; V130-F189 HydrophobicContact CG1-CG 3.71Å; V130-F189 HydrophobicContact CG1-CZ 4.36Å; V130-F261 HydrophobicContact CB-CE1 4.14Å; V130-F261 HydrophobicContact CB-CZ 4.03Å; V130-F261 HydrophobicContact CG1-CE1 4.25Å; V130-F261 HydrophobicContact CG1-CZ 4.43Å; V130-F261 HydrophobicContact CG2-CZ 4.26Å |
| 131 | D | 98.1 | Very high | 98.6 | Very high | 40 Ų | 40 | 33 Ų | 33 | 21% | 0.214 | 17% | 0.17 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -75.4 | 147.7 | 169.5 | -77.9 | -0.4 | 0 | 0 | 0 | 111.9 | R108 D133 M134 A188 | R108-D131 IonicContact CZ-OD1 3.48Å; R108-D131 VanDerWaalsContact CZ-OD1 3.3Å; R108-D131 IonicContact NH1-OD1 3.31Å; R108-D131 PolarHBondContact NH1-OD1 2.83Å; R108-D131 IonicContact NH2-OD1 3.45Å; D131-D133 WeakPolarHBondContact CB-OD1 3.49Å; D131-M134 HydrophobicContact CB-CG 4.25Å; D131-M134 WeakPolarHBondContact O-CG 3.4Å; D131-A188 HydrophobicContact CB-CB 3.85Å; D131-A188 VanDerWaalsContact CG-CB 3.45Å; D131-A188 PolarHBondContact N-O 3.05Å; D131-A188 VanDerWaalsContact N-O 3.1Å; D131-A188 WeakPolarHBondContact OD2-CB 3.39Å |
| 132 | V | 98.6 | Very high | 98.7 | Very high | 4 Ų | 4 | 28.2 Ų | 28.2 | 2% | 0.024 | 15% | 0.145 | C | C | . | . | S | Bend | trans | -82.8 | -24 | -175 | 72.9 | 0 | 0 | 0 | 0 | 113.7 | V40 F41 A42 Y46 F49 L50 F53 M134 | V40-V132 HydrophobicContact CG2-CB 3.36Å; V40-V132 HydrophobicContact CG2-CG2 3.52Å; F41-V132 WeakPolarHBondContact O-CB 3.17Å; F41-V132 WeakPolarHBondContact O-CG1 3.36Å; A42-V132 HydrophobicContact CB-CG2 4.31Å; Y46-V132 HydrophobicContact CD1-CG1 3.78Å; Y46-V132 HydrophobicContact CG-CG1 4.36Å; F49-V132 HydrophobicContact CB-CG1 4.23Å; F49-V132 HydrophobicContact CB-CG2 4.03Å; F49-V132 VanDerWaalsContact CB-O 3.3Å; F49-V132 WeakPolarHBondContact CB-O 3.41Å; F49-V132 HydrophobicContact CD2-CG1 4.22Å; L50-V132 HydrophobicContact CD2-CG2 3.76Å; L50-V132 HydrophobicContact CG-CG2 4.16Å; F53-V132 HydrophobicContact CB-CG2 4.37Å; F53-V132 HydrophobicContact CG-CG2 4.37Å; V132-M134 PolarHBondContact O-N 2.89Å |
| 133 | D | 98.1 | Very high | 98.7 | Very high | 11 Ų | 11 | 23.3 Ų | 23.3 | 6% | 0.059 | 11% | 0.11 | C | C | . | . | S | Bend | trans | -83.4 | 45.2 | -174.6 | 56.9 | -12.1 | 0 | 0 | 0 | 112.2 | Y46 F49 D131 V264 K266 | Y46-D133 HydrophobicContact CD1-CB 4.31Å; Y46-D133 HydrophobicContact CE1-CB 4.15Å; F49-D133 HydrophobicContact CD1-CB 4.13Å; F49-D133 HydrophobicContact CD2-CB 3.85Å; F49-D133 HydrophobicContact CE1-CB 4.11Å; F49-D133 HydrophobicContact CE2-CB 3.84Å; F49-D133 HydrophobicContact CG-CB 4.01Å; F49-D133 HydrophobicContact CZ-CB 3.98Å; D131-D133 WeakPolarHBondContact CB-OD1 3.49Å; D133-V264 PolarHBondContact O-N 3.12Å; D133-K266 HydrophobicContact CB-CD 4.04Å; D133-K266 VanDerWaalsContact CG-NZ 3.28Å; D133-K266 IonicContact OD1-NZ 3.49Å; D133-K266 WeakPolarHBondContact OD2-CD 3.3Å; D133-K266 WeakPolarHBondContact OD2-CE 3.49Å; D133-K266 IonicContact OD2-NZ 2.88Å; D133-K266 PolarHBondContact OD2-NZ 3.32Å |
| 134 | M | 98.6 | Very high | 98.8 | Very high | 9 Ų | 9 | 20.7 Ų | 20.7 | 4% | 0.044 | 10% | 0.098 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.6 | 160.6 | -170.5 | -56.6 | -69.1 | -68.6 | 0 | 0 | 109.5 | D131 V132 L244 F261 T262 A263 | D131-M134 HydrophobicContact CB-CG 4.25Å; D131-M134 WeakPolarHBondContact O-CG 3.4Å; V132-M134 PolarHBondContact O-N 2.89Å; M134-L244 HydrophobicContact CE-CD1 4.03Å; M134-L244 HydrophobicContact CE-CG 3.81Å; M134-F261 HydrophobicContact CB-CD1 4.37Å; M134-F261 HydrophobicContact CB-CD2 4.05Å; M134-F261 HydrophobicContact CB-CE1 3.68Å; M134-F261 HydrophobicContact CB-CE2 3.28Å; M134-F261 HydrophobicContact CB-CZ 3.08Å; M134-F261 HydrophobicContact CE-CD1 3.56Å; M134-F261 HydrophobicContact CE-CE1 3.6Å; M134-F261 HydrophobicContact CE-CG 4.2Å; M134-F261 HydrophobicContact CE-CZ 4.26Å; M134-F261 HydrophobicContact CG-CD1 4.49Å; M134-F261 HydrophobicContact CG-CE1 3.65Å; M134-F261 HydrophobicContact CG-CE2 4.2Å; M134-F261 HydrophobicContact CG-CZ 3.49Å; M134-F261 VanDerWaalsContact CG-CZ 3.49Å; M134-F261 HydrophobicContact SD-CE1 4.46Å; M134-T262 CarbonylContact C-O 3.44Å; M134-T262 VanDerWaalsContact CA-O 3.28Å; M134-T262 WeakPolarHBondContact CA-O 3.42Å; M134-T262 VanDerWaalsContact CE-C 3.49Å; M134-A263 WeakPolarHBondContact SD-CA 3.49Å; M134-A263 HydrophobicContact SD-CB 3.99Å |
| 135 | E | 98.8 | Very high | 98.8 | Very high | 34 Ų | 34 | 20.4 Ų | 20.4 | 16% | 0.159 | 10% | 0.096 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135 | 148.1 | 172.7 | 66.1 | 176.9 | 158.5 | 0 | 0 | 111 | L52 T56 R137 F261 T262 V264 | L52-E135 HydrophobicContact CD2-CB 4.06Å; L52-E135 HydrophobicContact CG-CB 3.99Å; T56-E135 HydrophobicContact CG2-CB 4.31Å; E135-R137 HydrophobicContact CG-CG 4.13Å; E135-R137 IonicContact OE1-CZ 3.79Å; E135-R137 IonicContact OE1-NE 2.76Å; E135-R137 PolarHBondContact OE1-NE 2.64Å; E135-R137 IonicContact OE1-NH2 3.99Å; E135-R137 PolarHBondContact OE1-NH2 3.48Å; E135-F261 CarbonylContact O-C 3.54Å; E135-F261 WeakPolarHBondContact O-CA 3.38Å; E135-F261 WeakPolarHBondContact O-CD2 3.31Å; E135-T262 WeakPolarHBondContact CG-OG1 3.36Å; E135-T262 PolarHBondContact N-O 3.3Å; E135-T262 PolarHBondContact O-N 2.91Å; E135-V264 HydrophobicContact CB-CG2 4.12Å; E135-V264 HydrophobicContact CG-CG2 4.24Å |
| 136 | F | 98.9 | Very high | 98.8 | Very high | 2 Ų | 2 | 17.4 Ų | 17.4 | 1% | 0.009 | 8% | 0.08 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.6 | 133.7 | 171.7 | -60.3 | -98 | 0 | 0 | 0 | 110 | L38 F53 T56 A57 H60 F61 V140 R260 F261 | L38-F136 HydrophobicContact CD2-CZ 4.37Å; F53-F136 HydrophobicContact CD2-CE2 4.24Å; F53-F136 AromaticContact CE2-CE2 3.83Å; F53-F136 HydrophobicContact CE2-CE2 3.83Å; F53-F136 HydrophobicContact CE2-CZ 4.38Å; F53-F136 HydrophobicContact CZ-CE2 4.02Å; F53-F136 HydrophobicContact CZ-CZ 4.44Å; T56-F136 VanDerWaalsContact CB-O 3.25Å; T56-F136 WeakPolarHBondContact CB-O 3.48Å; T56-F136 WeakPolarHBondContact CG2-O 3.48Å; T56-F136 PolarHBondContact OG1-N 2.81Å; A57-F136 HydrophobicContact CB-CD2 3.8Å; A57-F136 HydrophobicContact CB-CE2 3.66Å; A57-F136 HydrophobicContact CB-CZ 4.45Å; H60-F136 HydrophobicContact CB-CB 3.71Å; H60-F136 HydrophobicContact CB-CG 4.48Å; H60-F136 PolarHBondContact CD2-O 2.94Å; F61-F136 HydrophobicContact CB-CD1 4.45Å; F61-F136 HydrophobicContact CB-CE1 4.19Å; F61-F136 HydrophobicContact CB-CZ 4.39Å; F61-F136 AromaticContact CD2-CE1 3.94Å; F61-F136 HydrophobicContact CD2-CE1 3.94Å; F61-F136 HydrophobicContact CD2-CZ 4.23Å; F61-F136 HydrophobicContact CG-CE1 4.42Å; F61-F136 HydrophobicContact CG-CZ 4.49Å; F136-V140 HydrophobicContact CD1-CB 4.24Å; F136-V140 HydrophobicContact CD1-CG2 3.87Å; F136-V140 HydrophobicContact CE1-CB 4.26Å; F136-V140 HydrophobicContact CE1-CG1 4.45Å; F136-V140 HydrophobicContact CE1-CG2 4.15Å; F136-R260 CarbonylContact C-O 3.59Å; F136-R260 WeakPolarHBondContact CA-O 3.41Å; F136-F261 HydrophobicContact CD1-CB 4.31Å; F136-F261 AromaticContact CD1-CD2 3.64Å; F136-F261 HydrophobicContact CD1-CD2 3.64Å; F136-F261 HydrophobicContact CD1-CE2 4.31Å; F136-F261 HydrophobicContact CD1-CG 4.32Å; F136-F261 AromaticContact CD2-CD2 3.86Å; F136-F261 HydrophobicContact CD2-CD2 3.86Å; F136-F261 AromaticContact CD2-CE2 3.89Å; F136-F261 HydrophobicContact CD2-CE2 3.89Å; F136-F261 AromaticContact CE1-CD2 3.63Å; F136-F261 HydrophobicContact CE1-CD2 3.63Å; F136-F261 AromaticContact CE1-CE2 3.99Å; F136-F261 HydrophobicContact CE1-CE2 3.99Å; F136-F261 HydrophobicContact CE1-CG 4.23Å; F136-F261 AromaticContact CE2-CD2 3.84Å; F136-F261 HydrophobicContact CE2-CD2 3.84Å; F136-F261 AromaticContact CE2-CE2 3.52Å; F136-F261 HydrophobicContact CE2-CE2 3.52Å; F136-F261 AromaticContact CG-CD2 3.76Å; F136-F261 HydrophobicContact CG-CD2 3.76Å; F136-F261 HydrophobicContact CG-CE2 4.27Å; F136-F261 AromaticContact CZ-CD2 3.73Å; F136-F261 HydrophobicContact CZ-CD2 3.73Å; F136-F261 AromaticContact CZ-CE2 3.57Å; F136-F261 HydrophobicContact CZ-CE2 3.57Å; F136-F261 HydrophobicContact CZ-CZ 4.34Å |
| 137 | R | 98.8 | Very high | 98.8 | Very high | 105 Ų | 105 | 18.5 Ų | 18.5 | 40% | 0.396 | 9% | 0.092 | S | C | . | . | trans | -123.2 | -17.6 | -178.8 | -66.9 | -170.5 | 175.7 | 180 | 6.2 | 113.8 | E135 L259 R260 T262 | E135-R137 HydrophobicContact CG-CG 4.13Å; E135-R137 IonicContact OE1-CZ 3.79Å; E135-R137 IonicContact OE1-NE 2.76Å; E135-R137 PolarHBondContact OE1-NE 2.64Å; E135-R137 IonicContact OE1-NH2 3.99Å; E135-R137 PolarHBondContact OE1-NH2 3.48Å; R137-L259 WeakPolarHBondContact CB-O 3.2Å; R137-R260 PolarHBondContact N-O 3.37Å; R137-T262 VanDerWaalsContact CD-OG1 3.31Å; R137-T262 WeakPolarHBondContact CD-OG1 3.41Å; R137-T262 PolarHBondContact NE-OG1 2.99Å; R137-T262 VanDerWaalsContact NE-OG1 3.08Å | ||
| 138 | D | 98.9 | Very high | 98.8 | Very high | 45 Ų | 45 | 18.6 Ų | 18.6 | 24% | 0.241 | 9% | 0.093 | C | C | . | . | S | Bend | trans | -152.1 | 172.2 | 177.9 | -153.3 | -36.2 | 0 | 0 | 0 | 109 | H60 V140 K258 R260 | H60-D138 WeakPolarHBondContact CB-O 3.4Å; D138-V140 PolarHBondContact O-N 2.84Å; D138-K258 IonicContact OD1-NZ 2.81Å; D138-K258 PolarHBondContact OD1-NZ 3.49Å; D138-K258 WeakPolarHBondContact OD2-CD 3.24Å; D138-K258 VanDerWaalsContact OD2-CG 3.32Å; D138-K258 WeakPolarHBondContact OD2-CG 3.4Å; D138-K258 IonicContact OD2-NZ 3.88Å; D138-K258 PolarHBondContact OD2-NZ 3.42Å; D138-R260 HydrophobicContact CB-CB 4.42Å; D138-R260 HydrophobicContact CB-CG 4.28Å; D138-R260 PolarHBondContact N-O 2.59Å |
| 139 | H | 98.9 | Very high | 98.8 | Very high | 50 Ų | 50 | 18.6 Ų | 18.6 | 23% | 0.231 | 9% | 0.093 | C | C | . | . | trans | -49.1 | 125.3 | -176.6 | 176.2 | 83.4 | 0 | 0 | 0 | 113.6 | I22 G141 E143 R260 | I22-H139 WeakPolarHBondContact CD1-NE2 3.3Å; H139-G141 WeakPolarHBondContact NE2-CA 3.27Å; H139-G141 PolarHBondContact NE2-N 3.21Å; H139-E143 IonicContact CD2-OE1 2.82Å; H139-E143 PolarHBondContact CD2-OE1 2.74Å; H139-E143 IonicContact CD2-OE2 2.91Å; H139-E143 IonicContact CE1-OE2 2.61Å; H139-E143 IonicContact NE2-OE1 2.66Å; H139-E143 IonicContact NE2-OE2 3.58Å; H139-E143 PolarHBondContact NE2-OE2 3.15Å; H139-R260 WeakPolarHBondContact O-CD 3.48Å; H139-R260 PolarHBondContact O-NH1 3.45Å | ||
| 140 | V | 98.9 | Very high | 98.8 | Very high | 0 Ų | 0 | 18.6 Ų | 18.6 | 0% | 0 | 9% | 0.093 | C | C | . | . | B | Isolated β-bridge | trans | -128.2 | 102.6 | 165.4 | 178.5 | 0 | 0 | 0 | 0 | 107.4 | H60 F61 M62 F136 D138 I144 F189 Y243 R260 | H60-V140 PolarHBondContact O-N 2.71Å; F61-V140 CarbonylContact C-O 3.28Å; F61-V140 WeakPolarHBondContact CA-O 3.3Å; F61-V140 HydrophobicContact CD2-CB 4.34Å; F61-V140 HydrophobicContact CD2-CG1 3.98Å; F61-V140 HydrophobicContact CE2-CG1 4.31Å; M62-V140 PolarHBondContact N-O 3.44Å; F136-V140 HydrophobicContact CD1-CB 4.24Å; F136-V140 HydrophobicContact CD1-CG2 3.87Å; F136-V140 HydrophobicContact CE1-CB 4.26Å; F136-V140 HydrophobicContact CE1-CG1 4.45Å; F136-V140 HydrophobicContact CE1-CG2 4.15Å; D138-V140 PolarHBondContact O-N 2.84Å; V140-I144 HydrophobicContact CG1-CD1 3.93Å; V140-I144 HydrophobicContact CG1-CG2 4.46Å; V140-F189 HydrophobicContact CG1-CZ 4.09Å; V140-Y243 HydrophobicContact CG1-CD1 4.14Å; V140-Y243 HydrophobicContact CG1-CE1 4.24Å; V140-Y243 HydrophobicContact CG2-CD1 4.17Å; V140-Y243 HydrophobicContact CG2-CE1 4.38Å; V140-R260 HydrophobicContact CG2-CB 3.66Å |
| 141 | G | 98.8 | Very high | 98.8 | Very high | 1 Ų | 1 | 18.5 Ų | 18.5 | 1% | 0.01 | 9% | 0.092 | C | C | . | . | trans | -129.8 | -158.1 | -171 | 0 | 0 | 0 | 0 | 0 | 114.1 | M62 H139 E143 I144 | M62-G141 VanDerWaalsContact CE-O 3.23Å; M62-G141 WeakPolarHBondContact CE-O 3.08Å; H139-G141 WeakPolarHBondContact NE2-CA 3.27Å; H139-G141 PolarHBondContact NE2-N 3.21Å; G141-E143 WeakPolarHBondContact CA-OE2 3.22Å; G141-E143 PolarHBondContact N-OE1 3.3Å; G141-E143 PolarHBondContact N-OE2 2.81Å; G141-E143 PolarHBondContact O-N 3.13Å; G141-I144 WeakPolarHBondContact O-CG1 3.33Å; G141-I144 PolarHBondContact O-N 3.01Å; G141-I144 VanDerWaalsContact O-N 3.15Å | ||
| 142 | V | 98.9 | Very high | 98.8 | Very high | 0 Ų | 0 | 16.9 Ų | 16.9 | 0% | 0 | 8% | 0.084 | C | C | . | . | G | 310 helix | trans | -64.4 | -11.6 | -173.4 | -63.7 | 0 | 0 | 0 | 0 | 114 | I22 L25 N26 F29 M62 H65 I144 L145 | I22-V142 HydrophobicContact CD1-CG2 4.25Å; L25-V142 HydrophobicContact CB-CG2 3.86Å; N26-V142 WeakPolarHBondContact OD1-CG2 3.33Å; F29-V142 HydrophobicContact CB-CB 4.23Å; F29-V142 HydrophobicContact CB-CG1 4Å; F29-V142 HydrophobicContact CD2-CB 3.61Å; F29-V142 HydrophobicContact CD2-CG1 4.3Å; F29-V142 HydrophobicContact CD2-CG2 3.83Å; F29-V142 HydrophobicContact CE2-CB 4.12Å; F29-V142 HydrophobicContact CE2-CG2 4.49Å; F29-V142 HydrophobicContact CG-CB 3.95Å; F29-V142 HydrophobicContact CG-CG1 4.15Å; F29-V142 HydrophobicContact CG-CG2 4.44Å; M62-V142 HydrophobicContact SD-CG1 3.96Å; H65-V142 VanDerWaalsContact CE1-CG1 3.45Å; H65-V142 WeakPolarHBondContact CE1-CG1 3.19Å; H65-V142 WeakPolarHBondContact NE2-CG1 3.28Å; V142-I144 PolarHBondContact O-N 3.45Å; V142-I144 VanDerWaalsContact O-N 3.16Å; V142-L145 HydrophobicContact CB-CD1 4Å; V142-L145 HydrophobicContact CB-CG 4.43Å; V142-L145 HydrophobicContact CG1-CD1 3.79Å; V142-L145 WeakPolarHBondContact O-CB 3.3Å; V142-L145 PolarHBondContact O-N 2.88Å |
| 143 | E | 98.9 | Very high | 98.8 | Very high | 3 Ų | 3 | 18 Ų | 18 | 1% | 0.014 | 9% | 0.088 | C | C | . | . | G | 310 helix | trans | -59.4 | -23.9 | 172.3 | 75.5 | -76.6 | 176 | 0 | 0 | 113.4 | V15 F20 I22 L25 H139 G141 K237 Y243 | V15-E143 HydrophobicContact CG1-CB 4.36Å; V15-E143 HydrophobicContact CG1-CG 3.77Å; F20-E143 HydrophobicContact CD1-CB 4.09Å; F20-E143 HydrophobicContact CD1-CG 4.13Å; F20-E143 HydrophobicContact CD2-CB 3.86Å; F20-E143 HydrophobicContact CD2-CG 4.26Å; F20-E143 HydrophobicContact CE1-CB 4.27Å; F20-E143 HydrophobicContact CE1-CG 3.81Å; F20-E143 HydrophobicContact CE2-CB 4.03Å; F20-E143 HydrophobicContact CE2-CG 3.94Å; F20-E143 HydrophobicContact CG-CB 3.9Å; F20-E143 HydrophobicContact CG-CG 4.36Å; F20-E143 HydrophobicContact CZ-CB 4.24Å; F20-E143 HydrophobicContact CZ-CG 3.71Å; I22-E143 WeakPolarHBondContact CD1-OE2 3.31Å; L25-E143 HydrophobicContact CD1-CB 3.61Å; H139-E143 IonicContact CD2-OE1 2.82Å; H139-E143 PolarHBondContact CD2-OE1 2.74Å; H139-E143 IonicContact CD2-OE2 2.91Å; H139-E143 IonicContact CE1-OE2 2.61Å; H139-E143 IonicContact NE2-OE1 2.66Å; H139-E143 IonicContact NE2-OE2 3.58Å; H139-E143 PolarHBondContact NE2-OE2 3.15Å; G141-E143 WeakPolarHBondContact CA-OE2 3.22Å; G141-E143 PolarHBondContact N-OE1 3.3Å; G141-E143 PolarHBondContact N-OE2 2.81Å; G141-E143 PolarHBondContact O-N 3.13Å; E143-K237 WeakPolarHBondContact O-CD 3.32Å; E143-K237 PolarHBondContact O-NZ 3.03Å; E143-Y243 WeakPolarHBondContact CG-OH 3.24Å; E143-Y243 WeakPolarHBondContact OE1-CE1 3.21Å; E143-Y243 PolarHBondContact OE1-OH 2.84Å |
| 144 | I | 98.9 | Very high | 98.8 | Very high | 0 Ų | 0 | 17.8 Ų | 17.8 | 0% | 0 | 9% | 0.088 | C | C | . | . | G | 310 helix | trans | -81.4 | -22 | 177.2 | 80.7 | -176.4 | 0 | 0 | 0 | 112.7 | M62 V128 V140 G141 V142 T146 F149 F189 L239 Y243 | M62-I144 HydrophobicContact CE-CD1 3.53Å; M62-I144 HydrophobicContact CE-CG1 3.69Å; V128-I144 HydrophobicContact CG2-CD1 4Å; V140-I144 HydrophobicContact CG1-CD1 3.93Å; V140-I144 HydrophobicContact CG1-CG2 4.46Å; G141-I144 WeakPolarHBondContact O-CG1 3.33Å; G141-I144 PolarHBondContact O-N 3.01Å; G141-I144 VanDerWaalsContact O-N 3.15Å; V142-I144 PolarHBondContact O-N 3.45Å; V142-I144 VanDerWaalsContact O-N 3.16Å; I144-T146 PolarHBondContact O-N 3.44Å; I144-F149 HydrophobicContact CD1-CZ 4.29Å; I144-F149 HydrophobicContact CG1-CE1 4.45Å; I144-F149 WeakPolarHBondContact O-CD1 3.33Å; I144-F189 HydrophobicContact CD1-CE1 4.12Å; I144-F189 HydrophobicContact CD1-CZ 3.98Å; I144-L239 HydrophobicContact CB-CD1 3.97Å; I144-L239 HydrophobicContact CB-CD2 3.77Å; I144-L239 HydrophobicContact CG2-CD1 3.89Å; I144-L239 HydrophobicContact CG2-CD2 3.79Å; I144-Y243 HydrophobicContact CG2-CD1 3.82Å; I144-Y243 HydrophobicContact CG2-CE1 3.33Å |
| 145 | L | 98.9 | Very high | 98.8 | Very high | 3 Ų | 3 | 20.3 Ų | 20.3 | 2% | 0.016 | 11% | 0.106 | C | C | . | . | trans | -70.6 | 130.7 | -170.2 | -59.8 | -178.7 | 0 | 0 | 0 | 111.6 | F29 T34 I36 M62 Y126 V142 K237 | F29-L145 HydrophobicContact CD1-CD1 4.03Å; F29-L145 HydrophobicContact CE1-CB 3.87Å; F29-L145 HydrophobicContact CE1-CD1 4.02Å; F29-L145 HydrophobicContact CZ-CB 3.82Å; T34-L145 HydrophobicContact CG2-CD1 4.1Å; I36-L145 HydrophobicContact CD1-CD1 4.23Å; I36-L145 HydrophobicContact CG1-CD1 3.79Å; I36-L145 HydrophobicContact CG1-CD2 4.17Å; I36-L145 HydrophobicContact CG2-CD2 4.35Å; M62-L145 HydrophobicContact CE-CD1 4.5Å; M62-L145 HydrophobicContact CE-CD2 3.75Å; M62-L145 HydrophobicContact CE-CG 4.06Å; M62-L145 HydrophobicContact SD-CD1 4.47Å; Y126-L145 HydrophobicContact CD1-CB 4.34Å; Y126-L145 HydrophobicContact CD1-CD2 4.37Å; Y126-L145 HydrophobicContact CD2-CB 4.48Å; Y126-L145 HydrophobicContact CD2-CD1 4.07Å; Y126-L145 HydrophobicContact CD2-CD2 4.37Å; Y126-L145 HydrophobicContact CE1-CB 4.39Å; Y126-L145 HydrophobicContact CE2-CD1 4.44Å; Y126-L145 HydrophobicContact CG-CB 4.41Å; Y126-L145 HydrophobicContact CG-CD1 4.46Å; Y126-L145 HydrophobicContact CG-CD2 3.94Å; Y126-L145 HydrophobicContact CG-CG 4.49Å; V142-L145 HydrophobicContact CB-CD1 4Å; V142-L145 HydrophobicContact CB-CG 4.43Å; V142-L145 HydrophobicContact CG1-CD1 3.79Å; V142-L145 WeakPolarHBondContact O-CB 3.3Å; V142-L145 PolarHBondContact O-N 2.88Å; L145-K237 WeakPolarHBondContact O-CE 3.47Å; L145-K237 PolarHBondContact O-NZ 2.82Å | ||
| 146 | T | 98.9 | Very high | 98.8 | Very high | 14 Ų | 14 | 20.4 Ų | 20.4 | 9% | 0.086 | 11% | 0.106 | C | C | . | . | S | Bend | trans | -169.5 | 167.5 | -176.1 | -165.7 | 0 | 0 | 0 | 0 | 108.6 | Y126 I144 L148 F149 G192 S193 T236 K237 | Y126-T146 WeakPolarHBondContact CE1-O 3.22Å; I144-T146 PolarHBondContact O-N 3.44Å; T146-L148 VanDerWaalsContact C-N 3.32Å; T146-L148 VanDerWaalsContact CG2-O 3.28Å; T146-L148 WeakPolarHBondContact CG2-O 3.1Å; T146-L148 PolarHBondContact O-N 3.35Å; T146-F149 HydrophobicContact CG2-CB 3.74Å; T146-F149 HydrophobicContact CG2-CD1 4.09Å; T146-F149 HydrophobicContact CG2-CG 4.41Å; T146-G192 CarbonylContact O-C 3.55Å; T146-G192 VanDerWaalsContact O-CA 3.29Å; T146-G192 WeakPolarHBondContact O-CA 3.48Å; T146-S193 PolarHBondContact O-N 2.81Å; T146-T236 WeakPolarHBondContact CG2-OG1 3.46Å; T146-T236 WeakPolarHBondContact OG1-CB 2.79Å; T146-T236 PolarHBondContact OG1-OG1 2.69Å; T146-K237 HydrophobicContact CG2-CB 3.71Å; T146-K237 HydrophobicContact CG2-CD 4.06Å; T146-K237 HydrophobicContact CG2-CG 3.84Å |
| 147 | P | 98.9 | Very high | 98.7 | Very high | 64 Ų | 64 | 24.4 Ų | 24.4 | 42% | 0.416 | 12% | 0.122 | S | C | . | . | S | Bend | trans | -51.8 | -45.8 | 175.4 | -32.5 | 38.2 | 0 | 0 | 0 | 114.1 | G192 S193 E196 T236 | P147-G192 CarbonylContact O-C 3.42Å; P147-G192 WeakPolarHBondContact O-CA 3.28Å; P147-S193 PolarHBondContact O-N 3.29Å; P147-S193 PolarHBondContact O-OG 2.89Å; P147-E196 HydrophobicContact CB-CG 4.16Å; P147-E196 WeakPolarHBondContact O-CB 3.39Å; P147-E196 VanDerWaalsContact O-CG 3.26Å; P147-E196 WeakPolarHBondContact O-CG 3.44Å; P147-T236 HydrophobicContact CB-CG2 4.38Å; P147-T236 WeakPolarHBondContact CD-OG1 3.38Å |
| 148 | L | 98.9 | Very high | 98.6 | Very high | 3 Ų | 3 | 22.9 Ų | 22.9 | 2% | 0.016 | 14% | 0.139 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -146.8 | 131.3 | 177.8 | 177.8 | 62.7 | 0 | 0 | 0 | 110.8 | T146 E196 L200 Y229 L230 P235 T236 K237 | T146-L148 VanDerWaalsContact C-N 3.32Å; T146-L148 VanDerWaalsContact CG2-O 3.28Å; T146-L148 WeakPolarHBondContact CG2-O 3.1Å; T146-L148 PolarHBondContact O-N 3.35Å; L148-E196 HydrophobicContact CB-CB 4.27Å; L148-E196 HydrophobicContact CB-CG 4.42Å; L148-L200 HydrophobicContact CD1-CD1 3.73Å; L148-Y229 HydrophobicContact CD2-CE1 4.08Å; L148-L230 HydrophobicContact CD1-CD2 4.23Å; L148-L230 HydrophobicContact CD2-CD2 3.9Å; L148-L230 HydrophobicContact CG-CD2 4.1Å; L148-P235 HydrophobicContact CG-CB 4.29Å; L148-P235 CarbonylContact O-C 3.51Å; L148-P235 WeakPolarHBondContact O-CA 3.13Å; L148-T236 PolarHBondContact N-OG1 2.87Å; L148-T236 PolarHBondContact O-N 3.08Å; L148-T236 PolarHBondContact O-OG1 3.42Å; L148-K237 PolarHBondContact O-N 2.98Å |
| 149 | F | 98.9 | Very high | 98.6 | Very high | 0 Ų | 0 | 23 Ų | 23 | 0% | 0 | 14% | 0.143 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.4 | 151 | 171.3 | 70.7 | -94.4 | 0 | 0 | 0 | 112.9 | V128 I144 T146 F189 F190 G191 K237 L239 | V128-F149 HydrophobicContact CG1-CZ 4.38Å; V128-F149 HydrophobicContact CG2-CE1 4.45Å; V128-F149 HydrophobicContact CG2-CZ 4.18Å; I144-F149 HydrophobicContact CD1-CZ 4.29Å; I144-F149 HydrophobicContact CG1-CE1 4.45Å; I144-F149 WeakPolarHBondContact O-CD1 3.33Å; T146-F149 HydrophobicContact CG2-CB 3.74Å; T146-F149 HydrophobicContact CG2-CD1 4.09Å; T146-F149 HydrophobicContact CG2-CG 4.41Å; F149-F189 AromaticContact CE2-CD1 3.65Å; F149-F189 HydrophobicContact CE2-CD1 3.65Å; F149-F189 AromaticContact CE2-CE1 3.55Å; F149-F189 HydrophobicContact CE2-CE1 3.55Å; F149-F189 HydrophobicContact CZ-CD1 4.21Å; F149-F189 AromaticContact CZ-CE1 3.8Å; F149-F189 HydrophobicContact CZ-CE1 3.8Å; F149-F190 VanDerWaalsContact CZ-C 3.5Å; F149-G191 VanDerWaalsContact CD1-C 3.42Å; F149-G191 WeakPolarHBondContact CD1-O 3.21Å; F149-G191 VanDerWaalsContact CZ-CA 3.41Å; F149-G191 VanDerWaalsContact CZ-N 3.33Å; F149-G191 PolarHBondContact N-O 3.44Å; F149-G191 PolarHBondContact O-N 3Å; F149-K237 VanDerWaalsContact CA-O 3.23Å; F149-K237 WeakPolarHBondContact CA-O 3.45Å; F149-K237 HydrophobicContact CB-CB 4.31Å; F149-K237 VanDerWaalsContact CB-O 3.25Å; F149-K237 WeakPolarHBondContact CB-O 3.42Å; F149-L239 HydrophobicContact CD2-CD1 3.64Å; F149-L239 HydrophobicContact CD2-CG 3.83Å; F149-L239 HydrophobicContact CE2-CD1 3.64Å; F149-L239 HydrophobicContact CE2-CG 4.35Å; F149-L239 HydrophobicContact CG-CG 4.49Å |
| 150 | G | 98.9 | Very high | 98.6 | Very high | 0 Ų | 0 | 23.4 Ų | 23.4 | 0% | 0 | 15% | 0.152 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.1 | 159.4 | 165.8 | 0 | 0 | 0 | 0 | 0 | 110.2 | V238 L239 | G150-V238 CarbonylContact O-C 3.57Å; G150-V238 WeakPolarHBondContact O-CA 3.41Å; G150-L239 PolarHBondContact O-N 3.49Å |
| 151 | T | 98.9 | Very high | 98.5 | Very high | 0 Ų | 0 | 29 Ų | 29 | 0% | 0 | 17% | 0.173 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.9 | 132.5 | -178 | -53.8 | 0 | 0 | 0 | 0 | 110.3 | H153 Y185 M186 F189 L239 L244 | T151-H153 PolarHBondContact O-N 3.1Å; T151-Y185 CarbonylContact O-C 3.53Å; T151-Y185 WeakPolarHBondContact O-CA 3.44Å; T151-M186 PolarHBondContact O-N 2.78Å; T151-F189 VanDerWaalsContact CB-O 3.27Å; T151-F189 WeakPolarHBondContact CB-O 3.4Å; T151-F189 HydrophobicContact CG2-CB 4.49Å; T151-F189 PolarHBondContact N-O 3.01Å; T151-F189 PolarHBondContact OG1-O 3.5Å; T151-L239 HydrophobicContact CG2-CB 3.98Å; T151-L244 HydrophobicContact CG2-CB 3.87Å |
| 152 | L | 98.9 | Very high | 98.4 | Very high | 7 Ų | 7 | 33.5 Ų | 33.5 | 4% | 0.037 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -61.8 | 127.5 | 175.3 | -64.7 | -178.4 | 0 | 0 | 0 | 110.2 | I14 F183 V238 L239 P241 | I14-L152 HydrophobicContact CG2-CD1 4.31Å; L152-F183 HydrophobicContact CD2-CB 3.46Å; L152-F183 VanDerWaalsContact CD2-CB 3.46Å; L152-F183 HydrophobicContact CD2-CD1 3.55Å; L152-F183 HydrophobicContact CD2-CD2 4.19Å; L152-F183 HydrophobicContact CD2-CE1 4.33Å; L152-F183 HydrophobicContact CD2-CG 3.47Å; L152-F183 VanDerWaalsContact CD2-CG 3.47Å; L152-V238 HydrophobicContact CD1-CG1 4.36Å; L152-V238 HydrophobicContact CD2-CG1 3.66Å; L152-V238 HydrophobicContact CG-CG1 3.67Å; L152-L239 WeakPolarHBondContact CG-O 3.48Å; L152-L239 PolarHBondContact N-O 2.99Å; L152-P241 HydrophobicContact CB-CG 4.09Å |
| 153 | H | 98.8 | Very high | 98.4 | Very high | 26 Ų | 26 | 36 Ų | 36 | 12% | 0.12 | 22% | 0.215 | C | C | . | . | trans | -66.6 | 133.1 | 176.7 | -173.8 | -62 | 0 | 0 | 0 | 110.6 | T151 S155 F156 Y157 Y184 M186 E223 | T151-H153 PolarHBondContact O-N 3.1Å; H153-S155 VanDerWaalsContact C-N 3.32Å; H153-S155 PolarHBondContact CE1-OG 2.7Å; H153-S155 PolarHBondContact ND1-N 3.08Å; H153-S155 PolarHBondContact O-N 3.23Å; H153-F156 HydrophobicContact CB-CD2 4.2Å; H153-F156 AromaticContact CE1-CD2 3.91Å; H153-F156 AromaticContact CG-CD2 3.75Å; H153-F156 AromaticContact ND1-CD2 3.47Å; H153-F156 WeakPolarHBondContact ND1-CD2 3.47Å; H153-F156 PolarHBondContact O-N 2.91Å; H153-F156 VanDerWaalsContact O-N 3.07Å; H153-Y157 PolarHBondContact O-N 3.32Å; H153-Y184 HydrophobicContact CB-CD1 3.56Å; H153-Y184 HydrophobicContact CB-CE1 4.25Å; H153-Y184 WeakPolarHBondContact CB-O 3.34Å; H153-Y184 AromaticContact CD2-CD1 3.86Å; H153-Y184 AromaticContact CD2-CE1 3.62Å; H153-Y184 AromaticContact CG-CD1 3.77Å; H153-Y184 PolarHBondContact N-O 3.45Å; H153-M186 HydrophobicContact CB-CB 4.3Å; H153-M186 HydrophobicContact CB-SD 4.5Å; H153-M186 PolarHBondContact CD2-SD 3.42Å; H153-M186 PolarHBondContact NE2-SD 3.31Å; H153-M186 VanDerWaalsContact NE2-SD 3.44Å; H153-E223 IonicContact CD2-OE2 3.68Å | ||
| 154 | P | 98.4 | Very high | 98.4 | Very high | 8 Ų | 8 | 36.5 Ų | 36.5 | 5% | 0.052 | 22% | 0.216 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -67.4 | -26.7 | -169.9 | 29.1 | -40 | 0 | 0 | 0 | 114.3 | Y157 P241 L244 W245 L250 | P154-Y157 WeakPolarHBondContact O-CD1 3.42Å; P154-Y157 WeakPolarHBondContact O-CE1 3.45Å; P154-P241 HydrophobicContact CB-CB 4.36Å; P154-L244 WeakPolarHBondContact CB-O 3.31Å; P154-L244 HydrophobicContact CG-CD2 3.85Å; P154-W245 HydrophobicContact CB-CD2 4.23Å; P154-W245 HydrophobicContact CB-CE3 3.32Å; P154-W245 HydrophobicContact CB-CH2 4.45Å; P154-W245 HydrophobicContact CB-CZ3 3.44Å; P154-W245 VanDerWaalsContact CB-CZ3 3.44Å; P154-L250 HydrophobicContact CB-CD1 3.56Å; P154-L250 HydrophobicContact CG-CD1 4.09Å |
| 155 | S | 97.9 | Very high | 98.4 | Very high | 62 Ų | 62 | 38.7 Ų | 38.7 | 43% | 0.434 | 23% | 0.23 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -80.8 | -10.3 | 174.6 | -48.3 | 0 | 0 | 0 | 0 | 115.4 | H153 | H153-S155 VanDerWaalsContact C-N 3.32Å; H153-S155 PolarHBondContact CE1-OG 2.7Å; H153-S155 PolarHBondContact ND1-N 3.08Å; H153-S155 PolarHBondContact O-N 3.23Å |
| 156 | F | 98.5 | Very high | 98.4 | Very high | 36 Ų | 36 | 38.9 Ų | 38.9 | 16% | 0.158 | 23% | 0.231 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -126.3 | -5.4 | -168.6 | -67.1 | -74.4 | 0 | 0 | 0 | 115.1 | H153 G158 S159 F164 T165 Y184 | H153-F156 HydrophobicContact CB-CD2 4.2Å; H153-F156 AromaticContact CE1-CD2 3.91Å; H153-F156 AromaticContact CG-CD2 3.75Å; H153-F156 AromaticContact ND1-CD2 3.47Å; H153-F156 WeakPolarHBondContact ND1-CD2 3.47Å; H153-F156 PolarHBondContact O-N 2.91Å; H153-F156 VanDerWaalsContact O-N 3.07Å; F156-G158 PolarHBondContact O-N 3.15Å; F156-S159 PolarHBondContact O-N 3.35Å; F156-F164 HydrophobicContact CB-CD1 4.01Å; F156-F164 HydrophobicContact CB-CE1 3.97Å; F156-F164 HydrophobicContact CD1-CD1 4Å; F156-F164 HydrophobicContact CG-CD1 4.28Å; F156-F164 WeakPolarHBondContact O-CE1 3.47Å; F156-T165 HydrophobicContact CE1-CG2 4.17Å; F156-T165 HydrophobicContact CZ-CG2 3.7Å; F156-Y184 HydrophobicContact CB-CD1 4.24Å; F156-Y184 HydrophobicContact CB-CG 4.28Å; F156-Y184 AromaticContact CD2-CD1 3.35Å; F156-Y184 HydrophobicContact CD2-CD1 3.35Å; F156-Y184 AromaticContact CD2-CE1 3.77Å; F156-Y184 HydrophobicContact CD2-CE1 3.77Å; F156-Y184 AromaticContact CD2-CG 3.99Å; F156-Y184 HydrophobicContact CD2-CG 3.99Å; F156-Y184 AromaticContact CE2-CD1 3.9Å; F156-Y184 HydrophobicContact CE2-CD1 3.9Å; F156-Y184 AromaticContact CE2-CE1 3.83Å; F156-Y184 HydrophobicContact CE2-CE1 3.83Å; F156-Y184 AromaticContact CG-CD1 3.98Å; F156-Y184 HydrophobicContact CG-CD1 3.98Å; F156-Y184 HydrophobicContact CG-CG 4.19Å |
| 157 | Y | 97.6 | Very high | 98.4 | Very high | 85 Ų | 85 | 38.4 Ų | 38.4 | 33% | 0.333 | 23% | 0.227 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -60.9 | -19.4 | -175.8 | 72.1 | -84.5 | 0 | 0 | 0 | 115 | H153 P154 P241 W245 V255 | H153-Y157 PolarHBondContact O-N 3.32Å; P154-Y157 WeakPolarHBondContact O-CD1 3.42Å; P154-Y157 WeakPolarHBondContact O-CE1 3.45Å; Y157-P241 HydrophobicContact CD1-CB 4.36Å; Y157-P241 HydrophobicContact CD1-CG 3.64Å; Y157-P241 HydrophobicContact CD2-CG 4.21Å; Y157-P241 HydrophobicContact CE1-CG 4.36Å; Y157-P241 HydrophobicContact CG-CG 3.56Å; Y157-W245 HydrophobicContact CD1-CZ3 4.33Å; Y157-W245 AromaticContact CE1-CH2 3.82Å; Y157-W245 HydrophobicContact CE1-CH2 3.82Å; Y157-W245 AromaticContact CE1-CZ3 3.75Å; Y157-W245 HydrophobicContact CE1-CZ3 3.75Å; Y157-V255 HydrophobicContact CE2-CG1 4.16Å |
| 158 | G | 96.8 | Very high | 98.4 | Very high | 73 Ų | 73 | 38.1 Ų | 38.1 | 75% | 0.753 | 22% | 0.218 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -108.6 | 4.1 | 173.4 | 0 | 0 | 0 | 0 | 0 | 114.5 | F156 | F156-G158 PolarHBondContact O-N 3.15Š|
| 159 | S | 98 | Very high | 98.4 | Very high | 48 Ų | 48 | 42.8 Ų | 42.8 | 34% | 0.336 | 24% | 0.235 | S | C | . | . | S | Bend | trans | -87.2 | 154.3 | -177.7 | -54.5 | 0 | 0 | 0 | 0 | 111.9 | F156 F164 | F156-S159 PolarHBondContact O-N 3.35Å; S159-F164 WeakPolarHBondContact O-CE1 3.39Å |
| 160 | S | 98.2 | Very high | 98.3 | Very high | 58 Ų | 58 | 46.9 Ų | 46.9 | 41% | 0.406 | 26% | 0.262 | S | S | . | . | trans | -76.4 | 155.1 | 169.6 | 59.7 | 0 | 0 | 0 | 0 | 111.6 | E162 A163 F164 | S160-E162 VanDerWaalsContact CB-CD 3.41Å; S160-E162 WeakPolarHBondContact CB-OE1 3.46Å; S160-E162 VanDerWaalsContact CB-OE2 3.31Å; S160-E162 WeakPolarHBondContact CB-OE2 3.35Å; S160-E162 PolarHBondContact O-N 3.29Å; S160-E162 PolarHBondContact OG-OE1 3.12Å; S160-E162 PolarHBondContact OG-OE2 3.3Å; S160-A163 WeakPolarHBondContact O-CB 3.34Å; S160-A163 PolarHBondContact O-N 3.07Å; S160-F164 PolarHBondContact O-N 2.69Å | ||
| 161 | R | 97.8 | Very high | 98.3 | Very high | 119 Ų | 119 | 52.9 Ų | 52.9 | 45% | 0.449 | 29% | 0.29 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63.5 | -27.2 | -170.1 | 72 | 172.5 | 70.6 | 86.9 | -2 | 114.3 | A163 F164 R168 D179 G181 | R161-A163 VanDerWaalsContact C-N 3.26Å; R161-A163 PolarHBondContact O-N 3.26Å; R161-F164 VanDerWaalsContact CA-CD2 3.49Å; R161-F164 HydrophobicContact CB-CD2 3.97Å; R161-F164 HydrophobicContact CB-CE2 3.98Å; R161-F164 WeakPolarHBondContact O-CB 3.43Å; R161-F164 PolarHBondContact O-N 3.35Å; R161-R168 PolarHBondContact O-NH2 3.27Å; R161-D179 WeakPolarHBondContact CD-O 3.49Å; R161-G181 PolarHBondContact NE-O 2.86Å |
| 162 | E | 96.9 | Very high | 98.3 | Very high | 95 Ų | 95 | 53.1 Ų | 53.1 | 44% | 0.444 | 29% | 0.292 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -70.8 | -25.2 | 177.6 | 64.2 | -82.4 | -172.3 | 0 | 0 | 112.2 | S160 K178 | S160-E162 VanDerWaalsContact CB-CD 3.41Å; S160-E162 WeakPolarHBondContact CB-OE1 3.46Å; S160-E162 VanDerWaalsContact CB-OE2 3.31Å; S160-E162 WeakPolarHBondContact CB-OE2 3.35Å; S160-E162 PolarHBondContact O-N 3.29Å; S160-E162 PolarHBondContact OG-OE1 3.12Å; S160-E162 PolarHBondContact OG-OE2 3.3Å; E162-K178 HydrophobicContact CB-CD 4.14Å; E162-K178 PolarHBondContact O-NZ 3.43Å |
| 163 | A | 98.3 | Very high | 98.3 | Very high | 53 Ų | 53 | 56.9 Ų | 56.9 | 44% | 0.438 | 31% | 0.309 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -84 | -16.4 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.8 | S160 R161 T165 | S160-A163 WeakPolarHBondContact O-CB 3.34Å; S160-A163 PolarHBondContact O-N 3.07Å; R161-A163 VanDerWaalsContact C-N 3.26Å; R161-A163 PolarHBondContact O-N 3.26Å; A163-T165 PolarHBondContact O-N 2.74Å |
| 164 | F | 98.8 | Very high | 98.3 | Very high | 12 Ų | 12 | 55.6 Ų | 55.6 | 5% | 0.053 | 30% | 0.303 | C | S | . | . | S | Bend | trans | -59.3 | 134.6 | 174.1 | -65.6 | -16.6 | 0 | 0 | 0 | 111.1 | F156 S159 S160 R161 Y166 R168 Y184 | F156-F164 HydrophobicContact CB-CD1 4.01Å; F156-F164 HydrophobicContact CB-CE1 3.97Å; F156-F164 HydrophobicContact CD1-CD1 4Å; F156-F164 HydrophobicContact CG-CD1 4.28Å; F156-F164 WeakPolarHBondContact O-CE1 3.47Å; S159-F164 WeakPolarHBondContact O-CE1 3.39Å; S160-F164 PolarHBondContact O-N 2.69Å; R161-F164 VanDerWaalsContact CA-CD2 3.49Å; R161-F164 HydrophobicContact CB-CD2 3.97Å; R161-F164 HydrophobicContact CB-CE2 3.98Å; R161-F164 WeakPolarHBondContact O-CB 3.43Å; R161-F164 PolarHBondContact O-N 3.35Å; F164-Y166 HydrophobicContact CB-CD1 4.49Å; F164-Y166 HydrophobicContact CB-CD2 4.01Å; F164-Y166 HydrophobicContact CB-CE1 4.36Å; F164-Y166 HydrophobicContact CB-CE2 3.87Å; F164-Y166 HydrophobicContact CB-CG 4.32Å; F164-Y166 HydrophobicContact CD2-CE1 4.4Å; F164-Y166 AromaticContact CD2-CE2 3.63Å; F164-Y166 HydrophobicContact CD2-CE2 3.63Å; F164-Y166 AromaticContact CD2-CZ 3.53Å; F164-Y166 VanDerWaalsContact CD2-OH 3.3Å; F164-Y166 WeakPolarHBondContact CD2-OH 3.38Å; F164-Y166 HydrophobicContact CG-CE2 4.26Å; F164-Y166 PolarHBondContact O-N 2.75Å; F164-R168 PolarHBondContact O-NH2 2.97Å; F164-Y184 HydrophobicContact CB-CD2 3.78Å; F164-Y184 HydrophobicContact CB-CG 4.39Å; F164-Y184 HydrophobicContact CD1-CG 4.47Å; F164-Y184 HydrophobicContact CG-CD2 4.19Å; F164-Y184 HydrophobicContact CG-CG 4.38Å |
| 165 | T | 98.7 | Very high | 98.4 | Very high | 47 Ų | 47 | 58.7 Ų | 58.7 | 29% | 0.288 | 31% | 0.314 | S | S | . | . | trans | -83.6 | 38 | -176.6 | 51.8 | 0 | 0 | 0 | 0 | 112.8 | F156 A163 Y184 W220 | F156-T165 HydrophobicContact CE1-CG2 4.17Å; F156-T165 HydrophobicContact CZ-CG2 3.7Å; A163-T165 PolarHBondContact O-N 2.74Å; T165-Y184 PolarHBondContact OG1-OH 3.28Å; T165-Y184 VanDerWaalsContact OG1-OH 3.07Å; T165-W220 VanDerWaalsContact CB-NE1 3.29Å; T165-W220 PolarHBondContact OG1-NE1 2.92Å; T165-W220 VanDerWaalsContact OG1-NE1 3.17Å | ||
| 166 | Y | 98.9 | Very high | 98.4 | Very high | 7 Ų | 7 | 55.7 Ų | 55.7 | 3% | 0.027 | 29% | 0.294 | C | S | . | . | trans | -58 | 158.7 | 171.3 | -56.9 | -45.2 | 0 | 0 | 0 | 111.3 | F164 R168 I176 F183 Y184 N227 | F164-Y166 HydrophobicContact CB-CD1 4.49Å; F164-Y166 HydrophobicContact CB-CD2 4.01Å; F164-Y166 HydrophobicContact CB-CE1 4.36Å; F164-Y166 HydrophobicContact CB-CE2 3.87Å; F164-Y166 HydrophobicContact CB-CG 4.32Å; F164-Y166 HydrophobicContact CD2-CE1 4.4Å; F164-Y166 AromaticContact CD2-CE2 3.63Å; F164-Y166 HydrophobicContact CD2-CE2 3.63Å; F164-Y166 AromaticContact CD2-CZ 3.53Å; F164-Y166 VanDerWaalsContact CD2-OH 3.3Å; F164-Y166 WeakPolarHBondContact CD2-OH 3.38Å; F164-Y166 HydrophobicContact CG-CE2 4.26Å; F164-Y166 PolarHBondContact O-N 2.75Å; Y166-R168 WeakPolarHBondContact O-CD 3.31Å; Y166-R168 VanDerWaalsContact O-CG 3.31Å; Y166-R168 WeakPolarHBondContact O-CG 3.47Å; Y166-R168 PolarHBondContact O-N 3Å; Y166-R168 PolarHBondContact O-NE 3.49Å; Y166-I176 HydrophobicContact CD1-CD1 3.81Å; Y166-I176 HydrophobicContact CD2-CB 3.83Å; Y166-I176 HydrophobicContact CD2-CD1 3.95Å; Y166-I176 HydrophobicContact CD2-CG1 4.45Å; Y166-I176 HydrophobicContact CD2-CG2 3.67Å; Y166-I176 HydrophobicContact CE1-CD1 4.06Å; Y166-I176 HydrophobicContact CE2-CD1 4.19Å; Y166-I176 HydrophobicContact CE2-CG2 3.97Å; Y166-I176 HydrophobicContact CG-CB 4.07Å; Y166-I176 HydrophobicContact CG-CD1 3.76Å; Y166-I176 HydrophobicContact CG-CG1 4.36Å; Y166-I176 HydrophobicContact CG-CG2 4.39Å; Y166-F183 PolarHBondContact OH-O 3.44Å; Y166-Y184 AromaticContact CD1-CD2 3.5Å; Y166-Y184 HydrophobicContact CD1-CD2 3.5Å; Y166-Y184 AromaticContact CD1-CE2 3.61Å; Y166-Y184 HydrophobicContact CD1-CE2 3.61Å; Y166-Y184 AromaticContact CE1-CD2 3.35Å; Y166-Y184 HydrophobicContact CE1-CD2 3.35Å; Y166-Y184 AromaticContact CE1-CE2 3.94Å; Y166-Y184 HydrophobicContact CE1-CE2 3.94Å; Y166-Y184 HydrophobicContact CE1-CG 4.32Å; Y166-Y184 HydrophobicContact CG-CD2 4.44Å; Y166-Y184 HydrophobicContact CG-CE2 4.49Å; Y166-N227 HydrophobicContact CD1-CB 3.8Å; Y166-N227 HydrophobicContact CE1-CB 3.65Å; Y166-N227 WeakPolarHBondContact CE1-OD1 3.35Å | ||
| 167 | E | 98.9 | Very high | 98.4 | Very high | 4 Ų | 4 | 55 Ų | 55 | 2% | 0.019 | 29% | 0.293 | C | S | . | . | trans | -60.6 | 125.4 | 167.1 | 179.3 | 54.3 | -106.8 | 0 | 0 | 110.2 | R169 A174 Y175 I176 A218 V219 | E167-R169 WeakPolarHBondContact OE1-CB 3.48Å; E167-R169 WeakPolarHBondContact OE1-CG 3.26Å; E167-R169 IonicContact OE1-CZ 2.69Å; E167-R169 PolarHBondContact OE1-N 3.41Å; E167-R169 IonicContact OE1-NE 3.51Å; E167-R169 PolarHBondContact OE1-NE 3.25Å; E167-R169 IonicContact OE1-NH2 3.43Å; E167-R169 IonicContact OE2-CZ 3.62Å; E167-R169 IonicContact OE2-NE 3.15Å; E167-R169 PolarHBondContact OE2-NE 3.49Å; E167-R169 IonicContact OE2-NH2 3.72Å; E167-R169 PolarHBondContact OE2-NH2 2.74Å; E167-A174 HydrophobicContact CB-CB 3.81Å; E167-A174 HydrophobicContact CG-CB 4.2Å; E167-Y175 WeakPolarHBondContact O-CA 3.47Å; E167-I176 PolarHBondContact O-N 3Å; E167-A218 WeakPolarHBondContact OE2-CA 3.35Å; E167-V219 HydrophobicContact CB-CG1 4.32Å; E167-V219 PolarHBondContact OE2-N 2.74Å | ||
| 168 | R | 98.8 | Very high | 98.5 | Very high | 58 Ų | 58 | 56.6 Ų | 56.6 | 22% | 0.219 | 30% | 0.301 | C | S | . | . | trans | -112.8 | -4 | -175.3 | -55.9 | -49.8 | -176.1 | 161.6 | 3 | 113.1 | R161 F164 Y166 P170 Y175 I176 P177 | R161-R168 PolarHBondContact O-NH2 3.27Å; F164-R168 PolarHBondContact O-NH2 2.97Å; Y166-R168 WeakPolarHBondContact O-CD 3.31Å; Y166-R168 VanDerWaalsContact O-CG 3.31Å; Y166-R168 WeakPolarHBondContact O-CG 3.47Å; Y166-R168 PolarHBondContact O-N 3Å; Y166-R168 PolarHBondContact O-NE 3.49Å; R168-P170 WeakPolarHBondContact O-CD 3.29Å; R168-Y175 VanDerWaalsContact C-CD2 3.48Å; R168-Y175 WeakPolarHBondContact O-CD2 3.36Å; R168-Y175 WeakPolarHBondContact O-CE2 3.47Å; R168-I176 WeakPolarHBondContact CD-O 3.45Å; R168-I176 PolarHBondContact NH1-O 3.41Å; R168-P177 VanDerWaalsContact NH1-C 3.28Å; R168-P177 PolarHBondContact NH1-O 3.27Å | ||
| 169 | R | 98.8 | Very high | 98.5 | Very high | 100 Ų | 100 | 59.1 Ų | 59.1 | 38% | 0.377 | 30% | 0.297 | S | S | . | . | trans | -81.5 | 114.7 | 174 | -65.6 | 171.9 | -68.2 | 172 | 1.4 | 109.2 | E167 Q171 S172 I216 E217 | E167-R169 WeakPolarHBondContact OE1-CB 3.48Å; E167-R169 WeakPolarHBondContact OE1-CG 3.26Å; E167-R169 IonicContact OE1-CZ 2.69Å; E167-R169 PolarHBondContact OE1-N 3.41Å; E167-R169 IonicContact OE1-NE 3.51Å; E167-R169 PolarHBondContact OE1-NE 3.25Å; E167-R169 IonicContact OE1-NH2 3.43Å; E167-R169 IonicContact OE2-CZ 3.62Å; E167-R169 IonicContact OE2-NE 3.15Å; E167-R169 PolarHBondContact OE2-NE 3.49Å; E167-R169 IonicContact OE2-NH2 3.72Å; E167-R169 PolarHBondContact OE2-NH2 2.74Å; R169-Q171 PolarHBondContact O-N 3.02Å; R169-S172 PolarHBondContact O-N 3.4Å; R169-S172 VanDerWaalsContact O-N 3.09Å; R169-I216 HydrophobicContact CB-CD1 4.12Å; R169-E217 PolarHBondContact NH2-O 3.09Å | ||
| 170 | P | 98.7 | Very high | 98.6 | Very high | 87 Ų | 87 | 59.5 Ų | 59.5 | 57% | 0.565 | 29% | 0.294 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.2 | -15.7 | -177.7 | -24 | 35.2 | 0 | 0 | 0 | 114.9 | R168 S172 Y175 | R168-P170 WeakPolarHBondContact O-CD 3.29Å; P170-S172 VanDerWaalsContact C-N 3.28Å; P170-Y175 HydrophobicContact CB-CD1 4.29Å; P170-Y175 HydrophobicContact CB-CE1 4.31Å; P170-Y175 HydrophobicContact CB-CG 4.41Å; P170-Y175 HydrophobicContact CG-CD2 4.36Å; P170-Y175 HydrophobicContact CG-CE1 4.38Å; P170-Y175 HydrophobicContact CG-CE2 4.03Å |
| 171 | Q | 98.8 | Very high | 98.6 | Very high | 126 Ų | 126 | 57.1 Ų | 57.1 | 59% | 0.589 | 28% | 0.279 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.1 | -23.1 | 177.5 | -58.9 | 80.7 | 4.3 | 0 | 0 | 112.8 | R169 I216 | R169-Q171 PolarHBondContact O-N 3.02Å; Q171-I216 HydrophobicContact CB-CD1 4.07Å |
| 172 | S | 98.9 | Very high | 98.6 | Very high | 4 Ų | 4 | 54.1 Ų | 54.1 | 3% | 0.028 | 27% | 0.272 | C | S | . | . | S | Bend | trans | -86.9 | 142.1 | 179 | 167.6 | 0 | 0 | 0 | 0 | 111.5 | R169 P170 A174 Y175 D211 | R169-S172 PolarHBondContact O-N 3.4Å; R169-S172 VanDerWaalsContact O-N 3.09Å; P170-S172 VanDerWaalsContact C-N 3.28Å; S172-A174 PolarHBondContact O-N 3.34Å; S172-A174 WeakPolarHBondContact OG-CB 3.36Å; S172-A174 PolarHBondContact OG-N 2.95Å; S172-Y175 VanDerWaalsContact O-CB 3.24Å; S172-Y175 WeakPolarHBondContact O-CB 3.18Å; S172-Y175 PolarHBondContact O-N 3.49Å; S172-D211 WeakPolarHBondContact CA-OD1 3.44Å; S172-D211 WeakPolarHBondContact CB-OD2 3Å; S172-D211 PolarHBondContact OG-OD2 2.89Å |
| 173 | Q | 98.9 | Very high | 98.7 | Very high | 86 Ų | 86 | 51.2 Ų | 51.2 | 40% | 0.402 | 26% | 0.258 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -59.2 | -25.2 | 170.2 | -64.9 | -52.8 | -62 | 0 | 0 | 112.6 | Y175 A207 V210 D211 K228 | Q173-Y175 VanDerWaalsContact C-N 3.26Å; Q173-Y175 PolarHBondContact O-N 2.94Å; Q173-A207 HydrophobicContact CB-CB 3.81Å; Q173-A207 HydrophobicContact CG-CB 4.33Å; Q173-V210 HydrophobicContact CG-CB 3.79Å; Q173-V210 HydrophobicContact CG-CG1 3.61Å; Q173-D211 WeakPolarHBondContact CG-OD1 3.38Å; Q173-D211 PolarHBondContact N-OD1 2.88Å; Q173-K228 PolarHBondContact O-NZ 3.1Å |
| 174 | A | 98.9 | Very high | 98.7 | Very high | 0 Ų | 0 | 48.9 Ų | 48.9 | 0% | 0 | 24% | 0.237 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -80 | -1.1 | 177.4 | 0 | 0 | 0 | 0 | 0 | 114.1 | E167 S172 I176 A218 | E167-A174 HydrophobicContact CB-CB 3.81Å; E167-A174 HydrophobicContact CG-CB 4.2Å; S172-A174 PolarHBondContact O-N 3.34Å; S172-A174 WeakPolarHBondContact OG-CB 3.36Å; S172-A174 PolarHBondContact OG-N 2.95Å; A174-I176 PolarHBondContact O-N 2.76Å; A174-A218 HydrophobicContact CB-CB 3.92Å |
| 175 | Y | 98.9 | Very high | 98.7 | Very high | 72 Ų | 72 | 48.3 Ų | 48.3 | 28% | 0.282 | 24% | 0.235 | S | C | . | . | trans | -54.9 | 132.1 | -176.8 | 174.8 | -117.6 | 0 | 0 | 0 | 113.6 | E167 R168 P170 S172 Q173 P177 K228 | E167-Y175 WeakPolarHBondContact O-CA 3.47Å; R168-Y175 VanDerWaalsContact C-CD2 3.48Å; R168-Y175 WeakPolarHBondContact O-CD2 3.36Å; R168-Y175 WeakPolarHBondContact O-CE2 3.47Å; P170-Y175 HydrophobicContact CB-CD1 4.29Å; P170-Y175 HydrophobicContact CB-CE1 4.31Å; P170-Y175 HydrophobicContact CB-CG 4.41Å; P170-Y175 HydrophobicContact CG-CD2 4.36Å; P170-Y175 HydrophobicContact CG-CE1 4.38Å; P170-Y175 HydrophobicContact CG-CE2 4.03Å; S172-Y175 VanDerWaalsContact O-CB 3.24Å; S172-Y175 WeakPolarHBondContact O-CB 3.18Å; S172-Y175 PolarHBondContact O-N 3.49Å; Q173-Y175 VanDerWaalsContact C-N 3.26Å; Q173-Y175 PolarHBondContact O-N 2.94Å; Y175-P177 HydrophobicContact CE1-CG 3.7Å; Y175-K228 PolarHBondContact O-NZ 3.07Å | ||
| 176 | I | 98.9 | Very high | 98.7 | Very high | 0 Ų | 0 | 47.9 Ų | 47.9 | 0% | 0 | 23% | 0.23 | C | C | . | . | trans | -131.1 | 123.2 | 170.6 | -56.8 | 179.4 | 0 | 0 | 0 | 109.1 | Y166 E167 R168 A174 E180 N227 K228 L231 | Y166-I176 HydrophobicContact CD1-CD1 3.81Å; Y166-I176 HydrophobicContact CD2-CB 3.83Å; Y166-I176 HydrophobicContact CD2-CD1 3.95Å; Y166-I176 HydrophobicContact CD2-CG1 4.45Å; Y166-I176 HydrophobicContact CD2-CG2 3.67Å; Y166-I176 HydrophobicContact CE1-CD1 4.06Å; Y166-I176 HydrophobicContact CE2-CD1 4.19Å; Y166-I176 HydrophobicContact CE2-CG2 3.97Å; Y166-I176 HydrophobicContact CG-CB 4.07Å; Y166-I176 HydrophobicContact CG-CD1 3.76Å; Y166-I176 HydrophobicContact CG-CG1 4.36Å; Y166-I176 HydrophobicContact CG-CG2 4.39Å; E167-I176 PolarHBondContact O-N 3Å; R168-I176 WeakPolarHBondContact CD-O 3.45Å; R168-I176 PolarHBondContact NH1-O 3.41Å; A174-I176 PolarHBondContact O-N 2.76Å; I176-E180 HydrophobicContact CG2-CB 3.85Å; I176-N227 HydrophobicContact CD1-CB 4.35Å; I176-K228 HydrophobicContact CD1-CB 4.41Å; I176-K228 HydrophobicContact CG1-CD 4.21Å; I176-L231 HydrophobicContact CB-CD2 4.45Å; I176-L231 HydrophobicContact CD1-CD2 3.93Å; I176-L231 HydrophobicContact CG1-CD2 4Å; I176-L231 HydrophobicContact CG2-CD2 3.68Å | ||
| 177 | P | 98.6 | Very high | 98.6 | Very high | 21 Ų | 21 | 47.7 Ų | 47.7 | 14% | 0.136 | 23% | 0.231 | C | C | . | . | trans | -58.2 | 160 | 173.3 | -28.3 | 37.6 | 0 | 0 | 0 | 114.2 | R168 Y175 D179 E180 | R168-P177 VanDerWaalsContact NH1-C 3.28Å; R168-P177 PolarHBondContact NH1-O 3.27Å; Y175-P177 HydrophobicContact CE1-CG 3.7Å; P177-D179 VanDerWaalsContact C-N 3.27Å; P177-D179 WeakPolarHBondContact CB-OD1 3.28Å; P177-D179 PolarHBondContact O-N 3.5Å; P177-E180 HydrophobicContact CB-CB 4.39Å; P177-E180 HydrophobicContact CB-CG 4.26Å; P177-E180 WeakPolarHBondContact CD-OE1 3.39Å; P177-E180 HydrophobicContact CG-CG 4.33Å; P177-E180 WeakPolarHBondContact CG-OE1 3.44Å; P177-E180 PolarHBondContact O-N 3.2Å | ||
| 178 | K | 98.4 | Very high | 98.6 | Very high | 119 Ų | 119 | 47.6 Ų | 47.6 | 52% | 0.517 | 23% | 0.23 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -68.4 | -25.8 | -176.3 | -79.1 | -78.7 | -179.3 | 170 | 0 | 113.6 | E162 | E162-K178 HydrophobicContact CB-CD 4.14Å; E162-K178 PolarHBondContact O-NZ 3.43Å |
| 179 | D | 98.3 | Very high | 98.6 | Very high | 125 Ų | 125 | 44.8 Ų | 44.8 | 67% | 0.668 | 22% | 0.22 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -90.8 | -7.9 | 178 | 57.6 | -25 | 0 | 0 | 0 | 113.4 | R161 P177 | R161-D179 WeakPolarHBondContact CD-O 3.49Å; P177-D179 VanDerWaalsContact C-N 3.27Å; P177-D179 WeakPolarHBondContact CB-OD1 3.28Å; P177-D179 PolarHBondContact O-N 3.5Å |
| 180 | E | 98.8 | Very high | 98.6 | Very high | 56 Ų | 56 | 40.1 Ų | 40.1 | 26% | 0.262 | 20% | 0.202 | S | C | . | . | trans | -100.1 | 156.3 | 173.4 | -68.5 | -168.7 | -121.3 | 0 | 0 | 112.3 | I176 P177 L231 R232 | I176-E180 HydrophobicContact CG2-CB 3.85Å; P177-E180 HydrophobicContact CB-CB 4.39Å; P177-E180 HydrophobicContact CB-CG 4.26Å; P177-E180 WeakPolarHBondContact CD-OE1 3.39Å; P177-E180 HydrophobicContact CG-CG 4.33Å; P177-E180 WeakPolarHBondContact CG-OE1 3.44Å; P177-E180 PolarHBondContact O-N 3.2Å; E180-L231 HydrophobicContact CB-CD2 4.3Å; E180-R232 IonicContact OE1-NH2 3.73Å; E180-R232 PolarHBondContact OE1-NH2 2.92Å; E180-R232 IonicContact OE2-CZ 3.58Å; E180-R232 IonicContact OE2-NH1 3.53Å; E180-R232 PolarHBondContact OE2-NH1 2.9Å; E180-R232 IonicContact OE2-NH2 3.51Å; E180-R232 PolarHBondContact OE2-NH2 3.08Å | ||
| 181 | G | 98.4 | Very high | 98.6 | Very high | 9 Ų | 9 | 36 Ų | 36 | 9% | 0.093 | 18% | 0.175 | C | C | . | . | trans | 123.1 | 128.7 | 178.4 | 0 | 0 | 0 | 0 | 0 | 113 | R161 | R161-G181 PolarHBondContact NE-O 2.86Š| ||
| 182 | D | 98.7 | Very high | 98.6 | Very high | 56 Ų | 56 | 30 Ų | 30 | 30% | 0.299 | 15% | 0.147 | S | C | . | . | S | Bend | trans | -91.3 | -54.4 | 173.1 | -46.6 | -75.1 | 0 | 0 | 0 | 110.8 | W10 K234 | W10-D182 HydrophobicContact CH2-CB 3.68Å; W10-D182 HydrophobicContact CZ3-CB 3.67Å; W10-D182 VanDerWaalsContact CZ3-CG 3.44Å; W10-D182 WeakPolarHBondContact CZ3-OD1 3.44Å; D182-K234 IonicContact OD1-NZ 3.79Å; D182-K234 PolarHBondContact OD1-NZ 2.97Å; D182-K234 IonicContact OD2-NZ 2.63Å; D182-K234 PolarHBondContact OD2-NZ 3.24Å |
| 183 | F | 98.8 | Very high | 98.6 | Very high | 33 Ų | 33 | 31 Ų | 31 | 15% | 0.145 | 15% | 0.154 | C | C | . | . | trans | -146.2 | 154.3 | -177.6 | -57.8 | -70.5 | 0 | 0 | 0 | 110.5 | L5 T8 W10 I14 L152 Y166 Y185 | L5-F183 HydrophobicContact CD2-CZ 4.27Å; T8-F183 HydrophobicContact CG2-CE2 3.79Å; T8-F183 HydrophobicContact CG2-CZ 4.25Å; W10-F183 AromaticContact CH2-CD2 3.88Å; W10-F183 HydrophobicContact CH2-CD2 3.88Å; W10-F183 AromaticContact CH2-CE2 3.61Å; W10-F183 HydrophobicContact CH2-CE2 3.61Å; W10-F183 HydrophobicContact CZ2-CE2 4.29Å; W10-F183 HydrophobicContact CZ3-CE2 4.32Å; I14-F183 HydrophobicContact CD1-CE1 4.47Å; I14-F183 HydrophobicContact CD1-CZ 3.87Å; L152-F183 HydrophobicContact CD2-CB 3.46Å; L152-F183 VanDerWaalsContact CD2-CB 3.46Å; L152-F183 HydrophobicContact CD2-CD1 3.55Å; L152-F183 HydrophobicContact CD2-CD2 4.19Å; L152-F183 HydrophobicContact CD2-CE1 4.33Å; L152-F183 HydrophobicContact CD2-CG 3.47Å; L152-F183 VanDerWaalsContact CD2-CG 3.47Å; Y166-F183 PolarHBondContact OH-O 3.44Å; F183-Y185 HydrophobicContact CB-CD1 4.4Å; F183-Y185 HydrophobicContact CB-CE1 3.95Å; F183-Y185 HydrophobicContact CB-CE2 4.24Å; F183-Y185 HydrophobicContact CD2-CE1 4.15Å; F183-Y185 AromaticContact CD2-CZ 3.96Å; F183-Y185 WeakPolarHBondContact CD2-OH 3.35Å; F183-Y185 HydrophobicContact CG-CE1 4.47Å | ||
| 184 | Y | 98.9 | Very high | 98.6 | Very high | 4 Ų | 4 | 27.2 Ų | 27.2 | 2% | 0.016 | 14% | 0.137 | C | C | . | . | trans | -90.3 | 109.7 | 166.8 | -163.1 | -97.1 | 0 | 0 | 0 | 109.7 | H153 F156 F164 T165 Y166 W220 E223 | H153-Y184 HydrophobicContact CB-CD1 3.56Å; H153-Y184 HydrophobicContact CB-CE1 4.25Å; H153-Y184 WeakPolarHBondContact CB-O 3.34Å; H153-Y184 AromaticContact CD2-CD1 3.86Å; H153-Y184 AromaticContact CD2-CE1 3.62Å; H153-Y184 AromaticContact CG-CD1 3.77Å; H153-Y184 PolarHBondContact N-O 3.45Å; F156-Y184 HydrophobicContact CB-CD1 4.24Å; F156-Y184 HydrophobicContact CB-CG 4.28Å; F156-Y184 AromaticContact CD2-CD1 3.35Å; F156-Y184 HydrophobicContact CD2-CD1 3.35Å; F156-Y184 AromaticContact CD2-CE1 3.77Å; F156-Y184 HydrophobicContact CD2-CE1 3.77Å; F156-Y184 AromaticContact CD2-CG 3.99Å; F156-Y184 HydrophobicContact CD2-CG 3.99Å; F156-Y184 AromaticContact CE2-CD1 3.9Å; F156-Y184 HydrophobicContact CE2-CD1 3.9Å; F156-Y184 AromaticContact CE2-CE1 3.83Å; F156-Y184 HydrophobicContact CE2-CE1 3.83Å; F156-Y184 AromaticContact CG-CD1 3.98Å; F156-Y184 HydrophobicContact CG-CD1 3.98Å; F156-Y184 HydrophobicContact CG-CG 4.19Å; F164-Y184 HydrophobicContact CB-CD2 3.78Å; F164-Y184 HydrophobicContact CB-CG 4.39Å; F164-Y184 HydrophobicContact CD1-CG 4.47Å; F164-Y184 HydrophobicContact CG-CD2 4.19Å; F164-Y184 HydrophobicContact CG-CG 4.38Å; T165-Y184 PolarHBondContact OG1-OH 3.28Å; T165-Y184 VanDerWaalsContact OG1-OH 3.07Å; Y166-Y184 AromaticContact CD1-CD2 3.5Å; Y166-Y184 HydrophobicContact CD1-CD2 3.5Å; Y166-Y184 AromaticContact CD1-CE2 3.61Å; Y166-Y184 HydrophobicContact CD1-CE2 3.61Å; Y166-Y184 AromaticContact CE1-CD2 3.35Å; Y166-Y184 HydrophobicContact CE1-CD2 3.35Å; Y166-Y184 AromaticContact CE1-CE2 3.94Å; Y166-Y184 HydrophobicContact CE1-CE2 3.94Å; Y166-Y184 HydrophobicContact CE1-CG 4.32Å; Y166-Y184 HydrophobicContact CG-CD2 4.44Å; Y166-Y184 HydrophobicContact CG-CE2 4.49Å; Y184-W220 VanDerWaalsContact OH-CD1 3.26Å; Y184-E223 WeakPolarHBondContact CE1-OE1 3.4Å; Y184-E223 VanDerWaalsContact CZ-OE1 3.23Å; Y184-E223 PolarHBondContact OH-OE1 3.38Å | ||
| 185 | Y | 98.9 | Very high | 98.6 | Very high | 1 Ų | 1 | 32.1 Ų | 32.1 | 0% | 0.004 | 16% | 0.16 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.1 | 145.2 | -178.8 | -54.2 | -78.7 | 0 | 0 | 0 | 111.3 | T151 F183 E223 N227 L230 P235 V238 | T151-Y185 CarbonylContact O-C 3.53Å; T151-Y185 WeakPolarHBondContact O-CA 3.44Å; F183-Y185 HydrophobicContact CB-CD1 4.4Å; F183-Y185 HydrophobicContact CB-CE1 3.95Å; F183-Y185 HydrophobicContact CB-CE2 4.24Å; F183-Y185 HydrophobicContact CD2-CE1 4.15Å; F183-Y185 AromaticContact CD2-CZ 3.96Å; F183-Y185 WeakPolarHBondContact CD2-OH 3.35Å; F183-Y185 HydrophobicContact CG-CE1 4.47Å; Y185-E223 WeakPolarHBondContact O-CG 3.36Å; Y185-N227 WeakPolarHBondContact CD2-OD1 3.5Å; Y185-N227 PolarHBondContact N-OD1 3.23Å; Y185-N227 PolarHBondContact O-ND2 2.96Å; Y185-L230 HydrophobicContact CD1-CD1 4.02Å; Y185-L230 HydrophobicContact CD2-CB 3.78Å; Y185-L230 HydrophobicContact CD2-CD1 3.59Å; Y185-L230 HydrophobicContact CD2-CG 4.34Å; Y185-L230 HydrophobicContact CE1-CD1 4.42Å; Y185-L230 HydrophobicContact CE2-CB 3.6Å; Y185-L230 HydrophobicContact CE2-CD1 4.03Å; Y185-L230 HydrophobicContact CE2-CG 4.49Å; Y185-L230 HydrophobicContact CG-CD1 3.56Å; Y185-P235 HydrophobicContact CE1-CG 4.23Å; Y185-V238 HydrophobicContact CE1-CG1 4.09Å; Y185-V238 HydrophobicContact CE1-CG2 4.14Å |
| 186 | M | 97.9 | Very high | 98.6 | Very high | 37 Ų | 37 | 30.2 Ų | 30.2 | 18% | 0.182 | 15% | 0.154 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.1 | 133.3 | 179.8 | -171.8 | 81.1 | -172.4 | 0 | 0 | 111.9 | T151 H153 A188 E223 L226 L244 | T151-M186 PolarHBondContact O-N 2.78Å; H153-M186 HydrophobicContact CB-CB 4.3Å; H153-M186 HydrophobicContact CB-SD 4.5Å; H153-M186 PolarHBondContact CD2-SD 3.42Å; H153-M186 PolarHBondContact NE2-SD 3.31Å; H153-M186 VanDerWaalsContact NE2-SD 3.44Å; M186-A188 HydrophobicContact CE-CB 3.63Å; M186-A188 HydrophobicContact CG-CB 3.7Å; M186-A188 PolarHBondContact O-N 2.97Å; M186-E223 WeakPolarHBondContact CA-OE2 3.31Å; M186-L226 WeakPolarHBondContact O-CD2 3.45Å; M186-L244 HydrophobicContact CB-CD1 4.44Å; M186-L244 HydrophobicContact CB-CD2 4.36Å; M186-L244 HydrophobicContact CE-CD2 4.09Å; M186-L244 HydrophobicContact CG-CD1 3.72Å; M186-L244 HydrophobicContact CG-CD2 3.64Å; M186-L244 HydrophobicContact CG-CG 4.27Å; M186-L244 HydrophobicContact SD-CD2 3.79Å |
| 187 | G | 97.4 | Very high | 98.6 | Very high | 4 Ų | 4 | 30.2 Ų | 30.2 | 4% | 0.041 | 15% | 0.154 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -68.4 | -13.4 | 174.3 | 0 | 0 | 0 | 0 | 0 | 115.1 | R108 E223 | R108-G187 PolarHBondContact NH2-O 3Å; R108-G187 VanDerWaalsContact NH2-O 3.12Å; G187-E223 PolarHBondContact N-OE2 3.14Å |
| 188 | A | 97.6 | Very high | 98.6 | Very high | 1 Ų | 1 | 30.5 Ų | 30.5 | 1% | 0.008 | 15% | 0.153 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.2 | -3.5 | -175.2 | 0 | 0 | 0 | 0 | 0 | 114.5 | V130 D131 M186 L244 | V130-A188 WeakPolarHBondContact CA-O 3.49Å; D131-A188 HydrophobicContact CB-CB 3.85Å; D131-A188 VanDerWaalsContact CG-CB 3.45Å; D131-A188 PolarHBondContact N-O 3.05Å; D131-A188 VanDerWaalsContact N-O 3.1Å; D131-A188 WeakPolarHBondContact OD2-CB 3.39Å; M186-A188 HydrophobicContact CE-CB 3.63Å; M186-A188 HydrophobicContact CG-CB 3.7Å; M186-A188 PolarHBondContact O-N 2.97Å; A188-L244 HydrophobicContact CB-CD1 3.63Å |
| 189 | F | 98.8 | Very high | 98.6 | Very high | 0 Ų | 0 | 30.6 Ų | 30.6 | 0% | 0 | 15% | 0.15 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -157.4 | 104.1 | 173.6 | -161.6 | -22.6 | 0 | 0 | 0 | 111.8 | V128 C129 V130 V140 I144 F149 T151 L239 Y243 L244 F261 | V128-F189 HydrophobicContact CG1-CD1 4.13Å; V128-F189 HydrophobicContact CG1-CE1 3.46Å; V128-F189 VanDerWaalsContact CG1-CE1 3.46Å; V128-F189 HydrophobicContact CG1-CZ 4.1Å; C129-F189 WeakPolarHBondContact O-CA 3.31Å; V130-F189 HydrophobicContact CG1-CB 4.22Å; V130-F189 HydrophobicContact CG1-CD1 3.69Å; V130-F189 HydrophobicContact CG1-CD2 4.02Å; V130-F189 HydrophobicContact CG1-CE1 4.05Å; V130-F189 HydrophobicContact CG1-CE2 4.34Å; V130-F189 HydrophobicContact CG1-CG 3.71Å; V130-F189 HydrophobicContact CG1-CZ 4.36Å; V140-F189 HydrophobicContact CG1-CZ 4.09Å; I144-F189 HydrophobicContact CD1-CE1 4.12Å; I144-F189 HydrophobicContact CD1-CZ 3.98Å; F149-F189 AromaticContact CE2-CD1 3.65Å; F149-F189 HydrophobicContact CE2-CD1 3.65Å; F149-F189 AromaticContact CE2-CE1 3.55Å; F149-F189 HydrophobicContact CE2-CE1 3.55Å; F149-F189 HydrophobicContact CZ-CD1 4.21Å; F149-F189 AromaticContact CZ-CE1 3.8Å; F149-F189 HydrophobicContact CZ-CE1 3.8Å; T151-F189 VanDerWaalsContact CB-O 3.27Å; T151-F189 WeakPolarHBondContact CB-O 3.4Å; T151-F189 HydrophobicContact CG2-CB 4.49Å; T151-F189 PolarHBondContact N-O 3.01Å; T151-F189 PolarHBondContact OG1-O 3.5Å; F189-L239 HydrophobicContact CD1-CD1 4.37Å; F189-L239 HydrophobicContact CE1-CD1 3.93Å; F189-L239 HydrophobicContact CZ-CD1 4.04Å; F189-Y243 WeakPolarHBondContact CD2-O 3.21Å; F189-Y243 WeakPolarHBondContact CE2-O 3.48Å; F189-L244 HydrophobicContact CB-CD1 3.78Å; F189-F261 AromaticContact CD2-CD1 3.79Å; F189-F261 HydrophobicContact CD2-CD1 3.79Å; F189-F261 HydrophobicContact CD2-CE1 4.15Å; F189-F261 HydrophobicContact CE2-CD1 4.13Å |
| 190 | F | 98.9 | Very high | 98.7 | Very high | 1 Ų | 1 | 24.6 Ų | 24.6 | 0% | 0.004 | 12% | 0.118 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.4 | 173.2 | 171.2 | 64.4 | -87.5 | 0 | 0 | 0 | 110.1 | M109 I112 C129 F149 L200 T201 L226 | M109-F190 HydrophobicContact CE-CE1 4.04Å; M109-F190 HydrophobicContact CE-CZ 4.01Å; M109-F190 HydrophobicContact SD-CZ 4.08Å; I112-F190 HydrophobicContact CD1-CZ 4.19Å; C129-F190 HydrophobicContact CB-CD1 4.26Å; C129-F190 HydrophobicContact CB-CD2 4.03Å; C129-F190 HydrophobicContact CB-CE1 3.84Å; C129-F190 HydrophobicContact CB-CE2 3.58Å; C129-F190 HydrophobicContact CB-CG 4.35Å; C129-F190 HydrophobicContact CB-CZ 3.48Å; C129-F190 VanDerWaalsContact CB-CZ 3.48Å; C129-F190 PolarHBondContact N-O 3.48Å; C129-F190 PolarHBondContact O-N 3.14Å; C129-F190 VanDerWaalsContact O-N 3.13Å; F149-F190 VanDerWaalsContact CZ-C 3.5Å; F190-L200 HydrophobicContact CD2-CD1 4.26Å; F190-L200 HydrophobicContact CD2-CD2 4.15Å; F190-L200 HydrophobicContact CE2-CD2 3.92Å; F190-T201 HydrophobicContact CE2-CG2 4.02Å; F190-T201 HydrophobicContact CZ-CG2 4.34Å; F190-L226 HydrophobicContact CB-CD1 4.41Å; F190-L226 HydrophobicContact CD1-CD2 4.28Å; F190-L226 HydrophobicContact CG-CD1 4.39Å |
| 191 | G | 98.9 | Very high | 98.7 | Very high | 0 Ų | 0 | 22 Ų | 22 | 0% | 0 | 11% | 0.106 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 170.7 | -167 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.9 | L127 F149 | L127-G191 CarbonylContact O-C 3.59Å; L127-G191 WeakPolarHBondContact O-CA 3.48Å; F149-G191 VanDerWaalsContact CD1-C 3.42Å; F149-G191 WeakPolarHBondContact CD1-O 3.21Å; F149-G191 VanDerWaalsContact CZ-CA 3.41Å; F149-G191 VanDerWaalsContact CZ-N 3.33Å; F149-G191 PolarHBondContact N-O 3.44Å; F149-G191 PolarHBondContact O-N 3Å |
| 192 | G | 98.9 | Very high | 98.7 | Very high | 0 Ų | 0 | 25.5 Ų | 25.5 | 0% | 0 | 12% | 0.116 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 159.6 | -166.5 | -175.3 | 0 | 0 | 0 | 0 | 0 | 112.6 | Y126 L127 T146 P147 | Y126-G192 CarbonylContact C-O 3.52Å; Y126-G192 VanDerWaalsContact CA-O 3.27Å; Y126-G192 WeakPolarHBondContact CA-O 3.3Å; L127-G192 PolarHBondContact N-O 3.22Å; L127-G192 PolarHBondContact O-N 2.85Å; T146-G192 CarbonylContact O-C 3.55Å; T146-G192 VanDerWaalsContact O-CA 3.29Å; T146-G192 WeakPolarHBondContact O-CA 3.48Å; P147-G192 CarbonylContact O-C 3.42Å; P147-G192 WeakPolarHBondContact O-CA 3.28Å |
| 193 | S | 98.9 | Very high | 98.7 | Very high | 26 Ų | 26 | 24.5 Ų | 24.5 | 18% | 0.182 | 12% | 0.116 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -59.7 | 151.5 | 164.8 | 67.7 | 0 | 0 | 0 | 0 | 109.9 | T146 P147 Q195 E196 V197 | T146-S193 PolarHBondContact O-N 2.81Å; P147-S193 PolarHBondContact O-N 3.29Å; P147-S193 PolarHBondContact O-OG 2.89Å; S193-Q195 PolarHBondContact O-N 3.32Å; S193-Q195 VanDerWaalsContact O-N 3.14Å; S193-E196 PolarHBondContact O-N 3.04Å; S193-E196 VanDerWaalsContact O-N 3.07Å; S193-E196 WeakPolarHBondContact OG-CG 3.34Å; S193-E196 PolarHBondContact OG-N 3.38Å; S193-V197 PolarHBondContact O-N 2.72Å |
| 194 | V | 98.8 | Very high | 98.7 | Very high | 6 Ų | 6 | 23 Ų | 23 | 4% | 0.036 | 11% | 0.11 | C | C | . | . | H | α-helix | trans | -52.9 | -39.9 | 179.8 | -179.2 | 0 | 0 | 0 | 0 | 112.1 | C116 F120 L121 V124 D125 L127 V197 Q198 | C116-V194 HydrophobicContact CB-CG1 4.21Å; F120-V194 HydrophobicContact CB-CG1 3.88Å; F120-V194 HydrophobicContact CB-CG2 4.3Å; L121-V194 HydrophobicContact CB-CG1 4.44Å; L121-V194 HydrophobicContact CD2-CB 4.07Å; L121-V194 HydrophobicContact CD2-CG1 3.6Å; L121-V194 HydrophobicContact CG-CG1 3.72Å; V124-V194 HydrophobicContact CG2-CG2 3.79Å; V124-V194 VanDerWaalsContact O-CG2 3.23Å; V124-V194 WeakPolarHBondContact O-CG2 3.4Å; D125-V194 PolarHBondContact O-N 3.06Å; L127-V194 HydrophobicContact CD1-CB 4.4Å; L127-V194 HydrophobicContact CD1-CG1 4.12Å; L127-V194 HydrophobicContact CD1-CG2 4.17Å; L127-V194 HydrophobicContact CG-CG2 4.15Å; V194-V197 PolarHBondContact O-N 3.48Å; V194-Q198 WeakPolarHBondContact O-CB 3.4Å; V194-Q198 PolarHBondContact O-N 3.12Å |
| 195 | Q | 98.8 | Very high | 98.7 | Very high | 103 Ų | 103 | 24.4 Ų | 24.4 | 48% | 0.481 | 12% | 0.116 | S | C | . | . | H | α-helix | trans | -62.3 | -46.1 | 178.5 | -179.1 | 176 | 69.8 | 0 | 0 | 112.7 | S193 Q198 R199 | S193-Q195 PolarHBondContact O-N 3.32Å; S193-Q195 VanDerWaalsContact O-N 3.14Å; Q195-Q198 WeakPolarHBondContact O-CB 3.37Å; Q195-Q198 PolarHBondContact O-N 3.11Å; Q195-R199 VanDerWaalsContact CD-NH2 3.3Å; Q195-R199 WeakPolarHBondContact O-CG 3.43Å; Q195-R199 PolarHBondContact O-N 2.8Å |
| 196 | E | 98.9 | Very high | 98.7 | Very high | 32 Ų | 32 | 29.9 Ų | 29.9 | 15% | 0.15 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -70.8 | -37.9 | 179.9 | -72.9 | -60.7 | 107.2 | 0 | 0 | 111.9 | P147 L148 S193 Q198 R199 L200 | P147-E196 HydrophobicContact CB-CG 4.16Å; P147-E196 WeakPolarHBondContact O-CB 3.39Å; P147-E196 VanDerWaalsContact O-CG 3.26Å; P147-E196 WeakPolarHBondContact O-CG 3.44Å; L148-E196 HydrophobicContact CB-CB 4.27Å; L148-E196 HydrophobicContact CB-CG 4.42Å; S193-E196 PolarHBondContact O-N 3.04Å; S193-E196 VanDerWaalsContact O-N 3.07Å; S193-E196 WeakPolarHBondContact OG-CG 3.34Å; S193-E196 PolarHBondContact OG-N 3.38Å; E196-Q198 VanDerWaalsContact C-N 3.33Å; E196-R199 PolarHBondContact O-N 2.9Å; E196-R199 VanDerWaalsContact OE1-CD 3.31Å; E196-R199 WeakPolarHBondContact OE1-CD 3.37Å; E196-R199 IonicContact OE1-CZ 3.29Å; E196-R199 IonicContact OE1-NE 2.96Å; E196-R199 IonicContact OE1-NH1 2.74Å; E196-R199 PolarHBondContact OE1-NH1 2.61Å; E196-L200 WeakPolarHBondContact O-CB 3.4Å; E196-L200 PolarHBondContact O-N 2.78Å |
| 197 | V | 98.9 | Very high | 98.7 | Very high | 0 Ų | 0 | 29.2 Ų | 29.2 | 0% | 0 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -63.9 | -41.1 | 174 | 175.6 | 0 | 0 | 0 | 0 | 110.7 | I112 L127 S193 V194 R199 L200 T201 | I112-V197 HydrophobicContact CG2-CG1 3.8Å; L127-V197 HydrophobicContact CB-CB 4.29Å; L127-V197 HydrophobicContact CB-CG1 4.23Å; L127-V197 HydrophobicContact CB-CG2 3.97Å; L127-V197 HydrophobicContact CD1-CB 4.18Å; L127-V197 HydrophobicContact CD1-CG1 3.99Å; S193-V197 PolarHBondContact O-N 2.72Å; V194-V197 PolarHBondContact O-N 3.48Å; V197-R199 PolarHBondContact O-N 3.23Å; V197-L200 PolarHBondContact O-N 2.83Å; V197-T201 HydrophobicContact CG1-CG2 3.99Å; V197-T201 WeakPolarHBondContact O-CB 3.21Å; V197-T201 VanDerWaalsContact O-CG2 3.23Å; V197-T201 WeakPolarHBondContact O-CG2 3.43Å; V197-T201 PolarHBondContact O-N 3.27Å; V197-T201 PolarHBondContact O-OG1 2.83Å |
| 198 | Q | 98.8 | Very high | 98.8 | Very high | 27 Ų | 27 | 29.4 Ų | 29.4 | 13% | 0.126 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -59.4 | -45.9 | 173.7 | -173.5 | -170.7 | 30.1 | 0 | 0 | 111.5 | C116 E117 V194 Q195 E196 T201 R202 | C116-Q198 HydrophobicContact CB-CB 3.8Å; C116-Q198 HydrophobicContact CB-CG 3.82Å; E117-Q198 PolarHBondContact OE1-NE2 3.07Å; V194-Q198 WeakPolarHBondContact O-CB 3.4Å; V194-Q198 PolarHBondContact O-N 3.12Å; Q195-Q198 WeakPolarHBondContact O-CB 3.37Å; Q195-Q198 PolarHBondContact O-N 3.11Å; E196-Q198 VanDerWaalsContact C-N 3.33Å; Q198-T201 PolarHBondContact O-OG1 2.74Å; Q198-R202 WeakPolarHBondContact O-CB 3.46Å; Q198-R202 PolarHBondContact O-N 2.61Å |
| 199 | R | 98.9 | Very high | 98.8 | Very high | 121 Ų | 121 | 32.1 Ų | 32.1 | 46% | 0.457 | 16% | 0.156 | S | C | . | . | H | α-helix | trans | -60.9 | -49.6 | 178.4 | -73.8 | 168.8 | 179 | 169.6 | 2.4 | 111.5 | Q195 E196 V197 A203 | Q195-R199 VanDerWaalsContact CD-NH2 3.3Å; Q195-R199 WeakPolarHBondContact O-CG 3.43Å; Q195-R199 PolarHBondContact O-N 2.8Å; E196-R199 PolarHBondContact O-N 2.9Å; E196-R199 VanDerWaalsContact OE1-CD 3.31Å; E196-R199 WeakPolarHBondContact OE1-CD 3.37Å; E196-R199 IonicContact OE1-CZ 3.29Å; E196-R199 IonicContact OE1-NE 2.96Å; E196-R199 IonicContact OE1-NH1 2.74Å; E196-R199 PolarHBondContact OE1-NH1 2.61Å; V197-R199 PolarHBondContact O-N 3.23Å; R199-A203 VanDerWaalsContact O-CB 3.26Å; R199-A203 WeakPolarHBondContact O-CB 3.39Å; R199-A203 PolarHBondContact O-N 3.22Å |
| 200 | L | 98.9 | Very high | 98.8 | Very high | 0 Ų | 0 | 35 Ų | 35 | 0% | 0 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -58.7 | -53.7 | 178.4 | 178.1 | 160.4 | 0 | 0 | 0 | 111.4 | M109 L148 F190 E196 V197 A203 C204 L226 Y229 L230 | M109-L200 HydrophobicContact CE-CD2 4.37Å; M109-L200 HydrophobicContact SD-CD2 4.06Å; L148-L200 HydrophobicContact CD1-CD1 3.73Å; F190-L200 HydrophobicContact CD2-CD1 4.26Å; F190-L200 HydrophobicContact CD2-CD2 4.15Å; F190-L200 HydrophobicContact CE2-CD2 3.92Å; E196-L200 WeakPolarHBondContact O-CB 3.4Å; E196-L200 PolarHBondContact O-N 2.78Å; V197-L200 PolarHBondContact O-N 2.83Å; L200-A203 PolarHBondContact O-N 2.85Å; L200-C204 WeakPolarHBondContact O-CB 3.46Å; L200-C204 PolarHBondContact O-N 2.87Å; L200-C204 PolarHBondContact O-SG 2.91Å; L200-L226 HydrophobicContact CD1-CD1 3.68Å; L200-L226 HydrophobicContact CD2-CD1 4.07Å; L200-L226 HydrophobicContact CG-CD1 4.23Å; L200-Y229 VanDerWaalsContact CA-CZ 3.46Å; L200-Y229 HydrophobicContact CB-CD1 3.94Å; L200-Y229 HydrophobicContact CB-CE1 3.57Å; L200-Y229 HydrophobicContact CB-CE2 4.44Å; L200-Y229 HydrophobicContact CD1-CD1 3.86Å; L200-Y229 HydrophobicContact CD1-CE1 4.04Å; L200-Y229 HydrophobicContact CG-CD1 3.66Å; L200-Y229 HydrophobicContact CG-CE1 3.84Å; L200-Y229 HydrophobicContact CG-CG 4.17Å; L200-Y229 PolarHBondContact N-OH 3.15Å; L200-L230 HydrophobicContact CD1-CD2 4.29Å |
| 201 | T | 98.9 | Very high | 98.8 | Very high | 0 Ų | 0 | 35.1 Ų | 35.1 | 0% | 0 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -68.1 | -40.4 | -172 | 53.7 | 0 | 0 | 0 | 0 | 111.1 | M109 I112 S113 F190 V197 Q198 C204 H205 | M109-T201 WeakPolarHBondContact O-CB 3.49Å; M109-T201 HydrophobicContact SD-CG2 3.81Å; I112-T201 HydrophobicContact CB-CG2 4.02Å; I112-T201 HydrophobicContact CD1-CG2 4.42Å; I112-T201 HydrophobicContact CG2-CG2 3.78Å; S113-T201 VanDerWaalsContact CB-OG1 3.3Å; S113-T201 WeakPolarHBondContact CB-OG1 3.44Å; F190-T201 HydrophobicContact CE2-CG2 4.02Å; F190-T201 HydrophobicContact CZ-CG2 4.34Å; V197-T201 HydrophobicContact CG1-CG2 3.99Å; V197-T201 WeakPolarHBondContact O-CB 3.21Å; V197-T201 VanDerWaalsContact O-CG2 3.23Å; V197-T201 WeakPolarHBondContact O-CG2 3.43Å; V197-T201 PolarHBondContact O-N 3.27Å; V197-T201 PolarHBondContact O-OG1 2.83Å; Q198-T201 PolarHBondContact O-OG1 2.74Å; T201-C204 PolarHBondContact O-N 3.36Å; T201-H205 WeakPolarHBondContact O-CB 3.37Å; T201-H205 PolarHBondContact O-N 3.03Å |
| 202 | R | 98.8 | Very high | 98.8 | Very high | 83 Ų | 83 | 40.8 Ų | 40.8 | 31% | 0.313 | 20% | 0.2 | S | C | . | . | H | α-helix | trans | -61.5 | -47.3 | 172.7 | -177.2 | 172.2 | -62.1 | 167.8 | 3.5 | 112.7 | E117 Q198 H205 Q206 | E117-R202 IonicContact OE1-CZ 3.16Å; E117-R202 IonicContact OE1-NH1 2.88Å; E117-R202 IonicContact OE1-NH2 2.72Å; E117-R202 PolarHBondContact OE1-NH2 3.2Å; Q198-R202 WeakPolarHBondContact O-CB 3.46Å; Q198-R202 PolarHBondContact O-N 2.61Å; R202-H205 PolarHBondContact O-N 3.1Å; R202-Q206 HydrophobicContact CG-CG 4.48Å; R202-Q206 WeakPolarHBondContact O-CB 3.49Å; R202-Q206 WeakPolarHBondContact O-CG 3.25Å; R202-Q206 PolarHBondContact O-N 3.22Å |
| 203 | A | 98.9 | Very high | 98.8 | Very high | 36 Ų | 36 | 44.9 Ų | 44.9 | 30% | 0.298 | 23% | 0.234 | S | C | . | . | H | α-helix | trans | -63.6 | -43 | 180 | 0 | 0 | 0 | 0 | 0 | 111.6 | R199 L200 Q206 A207 Y229 | R199-A203 VanDerWaalsContact O-CB 3.26Å; R199-A203 WeakPolarHBondContact O-CB 3.39Å; R199-A203 PolarHBondContact O-N 3.22Å; L200-A203 PolarHBondContact O-N 2.85Å; A203-Q206 PolarHBondContact O-N 3.25Å; A203-A207 WeakPolarHBondContact O-CB 3.42Å; A203-A207 PolarHBondContact O-N 3Å; A203-Y229 HydrophobicContact CB-CD2 3.69Å; A203-Y229 HydrophobicContact CB-CE2 3.65Å |
| 204 | C | 98.9 | Very high | 98.7 | Very high | 2 Ų | 2 | 48.6 Ų | 48.6 | 1% | 0.014 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -62.3 | -45.5 | 175.4 | -67.3 | 0 | 0 | 0 | 0 | 111.2 | M109 L200 T201 A207 M208 H225 | M109-C204 HydrophobicContact CB-CB 4.37Å; M109-C204 HydrophobicContact CE-CB 4.49Å; M109-C204 HydrophobicContact CG-CB 3.95Å; M109-C204 HydrophobicContact SD-CB 4.08Å; L200-C204 WeakPolarHBondContact O-CB 3.46Å; L200-C204 PolarHBondContact O-N 2.87Å; L200-C204 PolarHBondContact O-SG 2.91Å; T201-C204 PolarHBondContact O-N 3.36Å; C204-A207 PolarHBondContact O-N 3.04Å; C204-M208 HydrophobicContact CB-CE 4.35Å; C204-M208 WeakPolarHBondContact O-CE 3.49Å; C204-M208 WeakPolarHBondContact O-CG 3.22Å; C204-M208 PolarHBondContact O-N 2.91Å; C204-H225 HydrophobicContact CB-CB 4.09Å |
| 205 | H | 98.8 | Very high | 98.7 | Very high | 32 Ų | 32 | 51.9 Ų | 51.9 | 15% | 0.148 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -60.3 | -48.8 | 177.6 | 175.3 | 55.3 | 0 | 0 | 0 | 112.3 | R107 M109 E110 T201 R202 A207 M208 M209 | R107-H205 PolarHBondContact NH1-CE1 3.45Å; M109-H205 HydrophobicContact CB-CB 4.2Å; E110-H205 IonicContact OE2-CE1 3.6Å; E110-H205 PolarHBondContact OE2-CE1 2.9Å; T201-H205 WeakPolarHBondContact O-CB 3.37Å; T201-H205 PolarHBondContact O-N 3.03Å; R202-H205 PolarHBondContact O-N 3.1Å; H205-A207 VanDerWaalsContact C-N 3.32Å; H205-A207 PolarHBondContact O-N 2.87Å; H205-M208 WeakPolarHBondContact O-CB 3.45Å; H205-M208 PolarHBondContact O-N 3.34Å; H205-M208 VanDerWaalsContact O-N 3.15Å; H205-M209 VanDerWaalsContact CE1-SD 3.59Å; H205-M209 WeakPolarHBondContact O-CG 3.43Å; H205-M209 PolarHBondContact O-N 3.19Å |
| 206 | Q | 98.8 | Very high | 98.7 | Very high | 117 Ų | 117 | 48.2 Ų | 48.2 | 55% | 0.547 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -59.9 | -42 | 177.1 | -72.6 | 175.1 | -17.7 | 0 | 0 | 111.9 | R202 A203 M208 M209 V210 | R202-Q206 HydrophobicContact CG-CG 4.48Å; R202-Q206 WeakPolarHBondContact O-CB 3.49Å; R202-Q206 WeakPolarHBondContact O-CG 3.25Å; R202-Q206 PolarHBondContact O-N 3.22Å; A203-Q206 PolarHBondContact O-N 3.25Å; Q206-M208 VanDerWaalsContact C-N 3.35Å; Q206-M208 PolarHBondContact O-N 3.07Å; Q206-M209 PolarHBondContact O-N 3.01Å; Q206-V210 WeakPolarHBondContact O-CG2 3.24Å; Q206-V210 PolarHBondContact O-N 2.84Å |
| 207 | A | 98.8 | Very high | 98.7 | Very high | 22 Ų | 22 | 49.6 Ų | 49.6 | 18% | 0.182 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -61.9 | -40.9 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | Q173 A203 C204 H205 M209 V210 D211 H225 | Q173-A207 HydrophobicContact CB-CB 3.81Å; Q173-A207 HydrophobicContact CG-CB 4.33Å; A203-A207 WeakPolarHBondContact O-CB 3.42Å; A203-A207 PolarHBondContact O-N 3Å; C204-A207 PolarHBondContact O-N 3.04Å; H205-A207 VanDerWaalsContact C-N 3.32Å; H205-A207 PolarHBondContact O-N 2.87Å; A207-M209 VanDerWaalsContact C-N 3.33Å; A207-M209 PolarHBondContact O-N 2.73Å; A207-V210 PolarHBondContact O-N 2.82Å; A207-D211 PolarHBondContact O-N 2.73Å; A207-H225 WeakPolarHBondContact CB-ND1 3.14Å |
| 208 | M | 98.7 | Very high | 98.7 | Very high | 9 Ų | 9 | 49.7 Ų | 49.7 | 4% | 0.044 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -63.3 | -36.9 | 174 | -75.3 | -176.8 | -74.4 | 0 | 0 | 112.3 | M106 M109 C204 H205 Q206 D211 Q212 D222 H225 | M106-M208 HydrophobicContact CB-CE 4.42Å; M106-M208 HydrophobicContact CB-SD 3.52Å; M106-M208 VanDerWaalsContact CB-SD 3.52Å; M106-M208 HydrophobicContact CG-SD 3.59Å; M106-M208 VanDerWaalsContact CG-SD 3.59Å; M106-M208 VanDerWaalsContact O-CE 3.29Å; M106-M208 WeakPolarHBondContact O-CE 3.32Å; M106-M208 HydrophobicContact SD-SD 3.93Å; M109-M208 HydrophobicContact CB-CE 3.64Å; M109-M208 HydrophobicContact CG-CE 3.58Å; C204-M208 HydrophobicContact CB-CE 4.35Å; C204-M208 WeakPolarHBondContact O-CE 3.49Å; C204-M208 WeakPolarHBondContact O-CG 3.22Å; C204-M208 PolarHBondContact O-N 2.91Å; H205-M208 WeakPolarHBondContact O-CB 3.45Å; H205-M208 PolarHBondContact O-N 3.34Å; H205-M208 VanDerWaalsContact O-N 3.15Å; Q206-M208 VanDerWaalsContact C-N 3.35Å; Q206-M208 PolarHBondContact O-N 3.07Å; M208-D211 PolarHBondContact O-N 3.29Å; M208-Q212 WeakPolarHBondContact O-CB 3.43Å; M208-Q212 PolarHBondContact O-N 2.66Å; M208-D222 HydrophobicContact SD-CB 4.34Å; M208-H225 WeakPolarHBondContact CG-CD2 3.07Å; M208-H225 VanDerWaalsContact CG-NE2 3.31Å; M208-H225 WeakPolarHBondContact CG-NE2 3.33Å |
| 209 | M | 98.6 | Very high | 98.7 | Very high | 58 Ų | 58 | 51.8 Ų | 51.8 | 29% | 0.286 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -69.2 | -35.6 | 177 | -63.4 | -54.3 | 87.6 | 0 | 0 | 112.2 | H205 Q206 A207 Q212 A213 | H205-M209 VanDerWaalsContact CE1-SD 3.59Å; H205-M209 WeakPolarHBondContact O-CG 3.43Å; H205-M209 PolarHBondContact O-N 3.19Å; Q206-M209 PolarHBondContact O-N 3.01Å; A207-M209 VanDerWaalsContact C-N 3.33Å; A207-M209 PolarHBondContact O-N 2.73Å; M209-Q212 PolarHBondContact O-N 3.45Å; M209-A213 WeakPolarHBondContact O-CB 3.44Å; M209-A213 PolarHBondContact O-N 3.45Å |
| 210 | V | 98.8 | Very high | 98.7 | Very high | 61 Ų | 61 | 51.7 Ų | 51.7 | 37% | 0.37 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -64.9 | -44.9 | 172.3 | 173.4 | 0 | 0 | 0 | 0 | 110.8 | Q173 Q206 A207 Q212 A213 N214 | Q173-V210 HydrophobicContact CG-CB 3.79Å; Q173-V210 HydrophobicContact CG-CG1 3.61Å; Q206-V210 WeakPolarHBondContact O-CG2 3.24Å; Q206-V210 PolarHBondContact O-N 2.84Å; A207-V210 PolarHBondContact O-N 2.82Å; V210-Q212 PolarHBondContact O-N 2.87Å; V210-A213 PolarHBondContact O-N 2.83Å; V210-N214 WeakPolarHBondContact O-CB 3.37Å; V210-N214 VanDerWaalsContact O-CG 3.31Å; V210-N214 PolarHBondContact O-N 3.32Å; V210-N214 PolarHBondContact O-ND2 2.8Å |
| 211 | D | 98.8 | Very high | 98.7 | Very high | 2 Ų | 2 | 52.6 Ų | 52.6 | 1% | 0.011 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -60.6 | -45 | 176 | -86.1 | 12.1 | 0 | 0 | 0 | 111.6 | S172 Q173 A207 M208 A213 N214 G215 I216 H225 | S172-D211 WeakPolarHBondContact CA-OD1 3.44Å; S172-D211 WeakPolarHBondContact CB-OD2 3Å; S172-D211 PolarHBondContact OG-OD2 2.89Å; Q173-D211 WeakPolarHBondContact CG-OD1 3.38Å; Q173-D211 PolarHBondContact N-OD1 2.88Å; A207-D211 PolarHBondContact O-N 2.73Å; M208-D211 PolarHBondContact O-N 3.29Å; D211-A213 PolarHBondContact O-N 2.94Å; D211-N214 CarbonylContact O-C 3.1Å; D211-N214 PolarHBondContact O-N 3.08Å; D211-N214 VanDerWaalsContact O-N 3.1Å; D211-G215 PolarHBondContact O-N 3.1Å; D211-G215 VanDerWaalsContact O-N 3.08Å; D211-I216 CarbonylContact C-O 3.49Å; D211-I216 HydrophobicContact CB-CG2 3.77Å; D211-I216 WeakPolarHBondContact CB-O 3.37Å; D211-I216 WeakPolarHBondContact O-CG2 3.36Å; D211-I216 PolarHBondContact O-N 3.07Å; D211-H225 IonicContact OD2-CE1 3.19Å; D211-H225 PolarHBondContact OD2-CE1 2.8Å; D211-H225 VanDerWaalsContact OD2-CE1 3.31Å; D211-H225 IonicContact OD2-NE2 3.99Å |
| 212 | Q | 98.1 | Very high | 98.6 | Very high | 119 Ų | 119 | 52.9 Ų | 52.9 | 56% | 0.556 | 30% | 0.297 | S | S | * | . | H | α-helix | trans | -57.7 | -46 | 174.9 | -174.6 | -179.3 | 15.8 | 0 | 0 | 111.9 | M208 M209 V210 N214 G215 | M208-Q212 WeakPolarHBondContact O-CB 3.43Å; M208-Q212 PolarHBondContact O-N 2.66Å; M209-Q212 PolarHBondContact O-N 3.45Å; V210-Q212 PolarHBondContact O-N 2.87Å; Q212-N214 VanDerWaalsContact C-N 3.25Å; Q212-N214 PolarHBondContact O-N 3.09Å; Q212-G215 PolarHBondContact O-N 3.38Å; Q212-G215 VanDerWaalsContact O-N 3.09Å |
| 213 | A | 98.5 | Very high | 98.6 | Very high | 86 Ų | 86 | 49.8 Ų | 49.8 | 71% | 0.711 | 29% | 0.287 | S | S | * | . | H | α-helix | trans | -64.6 | -30.3 | 178.1 | 0 | 0 | 0 | 0 | 0 | 112.7 | M209 V210 D211 G215 | M209-A213 WeakPolarHBondContact O-CB 3.44Å; M209-A213 PolarHBondContact O-N 3.45Å; V210-A213 PolarHBondContact O-N 2.83Å; D211-A213 PolarHBondContact O-N 2.94Å; A213-G215 VanDerWaalsContact C-N 3.29Å |
| 214 | N | 98.3 | Very high | 98.6 | Very high | 104 Ų | 104 | 48.2 Ų | 48.2 | 56% | 0.556 | 27% | 0.273 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85.9 | 3.3 | 175.5 | -67.9 | -27.6 | 0 | 0 | 0 | 113.5 | V210 D211 Q212 I216 | V210-N214 WeakPolarHBondContact O-CB 3.37Å; V210-N214 VanDerWaalsContact O-CG 3.31Å; V210-N214 PolarHBondContact O-N 3.32Å; V210-N214 PolarHBondContact O-ND2 2.8Å; D211-N214 CarbonylContact O-C 3.1Å; D211-N214 PolarHBondContact O-N 3.08Å; D211-N214 VanDerWaalsContact O-N 3.1Å; Q212-N214 VanDerWaalsContact C-N 3.25Å; Q212-N214 PolarHBondContact O-N 3.09Å; N214-I216 VanDerWaalsContact C-N 3.32Å; N214-I216 HydrophobicContact CB-CG2 4.28Å; N214-I216 PolarHBondContact O-N 3.2Å |
| 215 | G | 98.3 | Very high | 98.6 | Very high | 75 Ų | 75 | 48.4 Ų | 48.4 | 77% | 0.773 | 27% | 0.274 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 68.6 | 27.8 | 179.2 | 0 | 0 | 0 | 0 | 0 | 114 | D211 Q212 A213 | D211-G215 PolarHBondContact O-N 3.1Å; D211-G215 VanDerWaalsContact O-N 3.08Å; Q212-G215 PolarHBondContact O-N 3.38Å; Q212-G215 VanDerWaalsContact O-N 3.09Å; A213-G215 VanDerWaalsContact C-N 3.29Å |
| 216 | I | 98.6 | Very high | 98.7 | Very high | 26 Ų | 26 | 46.9 Ų | 46.9 | 13% | 0.133 | 27% | 0.267 | C | S | . | . | trans | -122.2 | 145.5 | 176.9 | -168.5 | 163.6 | 0 | 0 | 0 | 110.4 | R169 Q171 D211 N214 | R169-I216 HydrophobicContact CB-CD1 4.12Å; Q171-I216 HydrophobicContact CB-CD1 4.07Å; D211-I216 CarbonylContact C-O 3.49Å; D211-I216 HydrophobicContact CB-CG2 3.77Å; D211-I216 WeakPolarHBondContact CB-O 3.37Å; D211-I216 WeakPolarHBondContact O-CG2 3.36Å; D211-I216 PolarHBondContact O-N 3.07Å; N214-I216 VanDerWaalsContact C-N 3.32Å; N214-I216 HydrophobicContact CB-CG2 4.28Å; N214-I216 PolarHBondContact O-N 3.2Å | ||
| 217 | E | 98.8 | Very high | 98.7 | Very high | 61 Ų | 61 | 41.3 Ų | 41.3 | 29% | 0.285 | 24% | 0.241 | S | C | . | . | trans | -125.8 | 127.8 | 171.1 | -177.7 | 175.5 | 99.3 | 0 | 0 | 107.2 | R100 M106 R169 H221 | R100-E217 IonicContact CZ-OE1 2.64Å; R100-E217 IonicContact CZ-OE2 2.69Å; R100-E217 VanDerWaalsContact CZ-OE2 3.3Å; R100-E217 IonicContact NH1-OE1 3.45Å; R100-E217 IonicContact NH1-OE2 3.81Å; R100-E217 PolarHBondContact NH1-OE2 3.03Å; R100-E217 VanDerWaalsContact NH2-CD 3.27Å; R100-E217 IonicContact NH2-OE1 3.48Å; R100-E217 PolarHBondContact NH2-OE1 2.82Å; R100-E217 IonicContact NH2-OE2 2.87Å; R100-E217 PolarHBondContact NH2-OE2 2.55Å; M106-E217 HydrophobicContact CE-CG 4.26Å; M106-E217 WeakPolarHBondContact CE-OE2 3.44Å; M106-E217 HydrophobicContact SD-CG 4.2Å; R169-E217 PolarHBondContact NH2-O 3.09Å; E217-H221 IonicContact OE1-CD2 2.77Å; E217-H221 PolarHBondContact OE1-CD2 3.39Å; E217-H221 IonicContact OE1-NE2 2.69Å | ||
| 218 | A | 98.6 | Very high | 98.7 | Very high | 3 Ų | 3 | 42.6 Ų | 42.6 | 3% | 0.025 | 24% | 0.243 | C | C | . | . | trans | -64.2 | 146.5 | -175.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | E167 A174 W220 H221 | E167-A218 WeakPolarHBondContact OE2-CA 3.35Å; A174-A218 HydrophobicContact CB-CB 3.92Å; A218-W220 VanDerWaalsContact C-N 3.27Å; A218-W220 PolarHBondContact O-N 3.31Å; A218-W220 VanDerWaalsContact O-N 3.13Å; A218-H221 PolarHBondContact O-N 2.93Å | ||
| 219 | V | 98.6 | Very high | 98.7 | Very high | 70 Ų | 70 | 43.1 Ų | 43.1 | 42% | 0.424 | 24% | 0.244 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -54.8 | -36.3 | -169.1 | 64.2 | 0 | 0 | 0 | 0 | 114.6 | E167 | E167-V219 HydrophobicContact CB-CG1 4.32Å; E167-V219 PolarHBondContact OE2-N 2.74Å |
| 220 | W | 98.6 | Very high | 98.7 | Very high | 119 Ų | 119 | 40.4 Ų | 40.4 | 45% | 0.451 | 23% | 0.231 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -120.3 | 36.3 | 174.1 | -66.1 | 111.7 | 0 | 0 | 0 | 112 | T165 Y184 A218 D222 E223 S224 | T165-W220 VanDerWaalsContact CB-NE1 3.29Å; T165-W220 PolarHBondContact OG1-NE1 2.92Å; T165-W220 VanDerWaalsContact OG1-NE1 3.17Å; Y184-W220 VanDerWaalsContact OH-CD1 3.26Å; A218-W220 VanDerWaalsContact C-N 3.27Å; A218-W220 PolarHBondContact O-N 3.31Å; A218-W220 VanDerWaalsContact O-N 3.13Å; W220-D222 PolarHBondContact O-N 3.46Å; W220-E223 HydrophobicContact CB-CB 4.25Å; W220-E223 WeakPolarHBondContact O-CB 3.22Å; W220-E223 PolarHBondContact O-N 3.33Å; W220-S224 WeakPolarHBondContact CA-OG 3.5Å; W220-S224 WeakPolarHBondContact CB-OG 3.48Å; W220-S224 PolarHBondContact N-OG 2.83Å; W220-S224 PolarHBondContact O-N 2.81Å |
| 221 | H | 98.7 | Very high | 98.7 | Very high | 20 Ų | 20 | 38 Ų | 38 | 9% | 0.093 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | 54.1 | -130.6 | 169.1 | -43.2 | 94.4 | 0 | 0 | 0 | 111.7 | W101 Q102 M106 E217 A218 E223 S224 H225 | W101-H221 AromaticContact CH2-CE1 3.32Å; W101-H221 WeakPolarHBondContact CH2-CE1 3.4Å; W101-H221 AromaticContact CH2-ND1 3.73Å; W101-H221 AromaticContact CZ2-CE1 3.93Å; W101-H221 AromaticContact CZ3-CE1 3.99Å; Q102-H221 VanDerWaalsContact CG-CD2 3.42Å; Q102-H221 WeakPolarHBondContact CG-CD2 3.46Å; Q102-H221 WeakPolarHBondContact CG-NE2 3.33Å; M106-H221 HydrophobicContact CG-CB 3.71Å; M106-H221 HydrophobicContact SD-CB 4.09Å; E217-H221 IonicContact OE1-CD2 2.77Å; E217-H221 PolarHBondContact OE1-CD2 3.39Å; E217-H221 IonicContact OE1-NE2 2.69Å; A218-H221 PolarHBondContact O-N 2.93Å; H221-E223 VanDerWaalsContact C-N 3.28Å; H221-E223 PolarHBondContact O-N 3.4Å; H221-S224 WeakPolarHBondContact O-CB 3.49Å; H221-S224 PolarHBondContact O-N 3.38Å; H221-H225 PolarHBondContact O-CD2 2.76Å; H221-H225 VanDerWaalsContact O-CD2 3.27Å |
| 222 | D | 98.5 | Very high | 98.7 | Very high | 5 Ų | 5 | 44.1 Ų | 44.1 | 3% | 0.027 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -59.6 | -31.5 | 178 | 50.7 | -59.3 | 0 | 0 | 0 | 114.1 | S105 R108 M109 M208 W220 S224 H225 L226 | S105-D222 WeakPolarHBondContact CB-OD1 3.49Å; S105-D222 PolarHBondContact OG-OD1 3.15Å; S105-D222 PolarHBondContact OG-OD2 3.42Å; R108-D222 IonicContact CZ-OD2 2.89Å; R108-D222 IonicContact NE-OD2 3.64Å; R108-D222 IonicContact NH2-OD2 3.69Å; R108-D222 PolarHBondContact NH2-OD2 3.16Å; M109-D222 HydrophobicContact CE-CB 3.98Å; M109-D222 HydrophobicContact CG-CB 4.32Å; M208-D222 HydrophobicContact SD-CB 4.34Å; W220-D222 PolarHBondContact O-N 3.46Å; D222-S224 VanDerWaalsContact C-N 3.28Å; D222-S224 PolarHBondContact O-N 3.29Å; D222-H225 PolarHBondContact O-N 3.27Å; D222-L226 WeakPolarHBondContact O-CB 3.49Å; D222-L226 PolarHBondContact O-N 3.02Å |
| 223 | E | 98.9 | Very high | 98.7 | Very high | 19 Ų | 19 | 42.8 Ų | 42.8 | 9% | 0.089 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -64.2 | -34.7 | 177.1 | -178.9 | 174 | 95.4 | 0 | 0 | 111.8 | H153 Y184 Y185 M186 G187 W220 H221 L226 N227 | H153-E223 IonicContact CD2-OE2 3.68Å; Y184-E223 WeakPolarHBondContact CE1-OE1 3.4Å; Y184-E223 VanDerWaalsContact CZ-OE1 3.23Å; Y184-E223 PolarHBondContact OH-OE1 3.38Å; Y185-E223 WeakPolarHBondContact O-CG 3.36Å; M186-E223 WeakPolarHBondContact CA-OE2 3.31Å; G187-E223 PolarHBondContact N-OE2 3.14Å; W220-E223 HydrophobicContact CB-CB 4.25Å; W220-E223 WeakPolarHBondContact O-CB 3.22Å; W220-E223 PolarHBondContact O-N 3.33Å; H221-E223 VanDerWaalsContact C-N 3.28Å; H221-E223 PolarHBondContact O-N 3.4Å; E223-L226 PolarHBondContact O-N 2.99Å; E223-N227 WeakPolarHBondContact O-CB 3.42Å; E223-N227 PolarHBondContact O-N 3.18Å; E223-N227 PolarHBondContact O-ND2 2.66Å |
| 224 | S | 98.9 | Very high | 98.8 | Very high | 2 Ų | 2 | 42.5 Ų | 42.5 | 1% | 0.014 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -64.5 | -43.5 | 175.5 | -64 | 0 | 0 | 0 | 0 | 111.3 | W220 H221 D222 N227 K228 | W220-S224 WeakPolarHBondContact CA-OG 3.5Å; W220-S224 WeakPolarHBondContact CB-OG 3.48Å; W220-S224 PolarHBondContact N-OG 2.83Å; W220-S224 PolarHBondContact O-N 2.81Å; H221-S224 WeakPolarHBondContact O-CB 3.49Å; H221-S224 PolarHBondContact O-N 3.38Å; D222-S224 VanDerWaalsContact C-N 3.28Å; D222-S224 PolarHBondContact O-N 3.29Å; S224-N227 PolarHBondContact O-N 3.44Å; S224-K228 PolarHBondContact O-N 3.41Å; S224-K228 VanDerWaalsContact O-N 3.14Å |
| 225 | H | 98.9 | Very high | 98.8 | Very high | 6 Ų | 6 | 37.6 Ų | 37.6 | 3% | 0.028 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -69.4 | -37.9 | 177.1 | -66.1 | -81.9 | 0 | 0 | 0 | 112.2 | C204 A207 M208 D211 H221 D222 N227 K228 Y229 | C204-H225 HydrophobicContact CB-CB 4.09Å; A207-H225 WeakPolarHBondContact CB-ND1 3.14Å; M208-H225 WeakPolarHBondContact CG-CD2 3.07Å; M208-H225 VanDerWaalsContact CG-NE2 3.31Å; M208-H225 WeakPolarHBondContact CG-NE2 3.33Å; D211-H225 IonicContact OD2-CE1 3.19Å; D211-H225 PolarHBondContact OD2-CE1 2.8Å; D211-H225 VanDerWaalsContact OD2-CE1 3.31Å; D211-H225 IonicContact OD2-NE2 3.99Å; H221-H225 PolarHBondContact O-CD2 2.76Å; H221-H225 VanDerWaalsContact O-CD2 3.27Å; D222-H225 PolarHBondContact O-N 3.27Å; H225-N227 PolarHBondContact O-N 3.35Å; H225-K228 PolarHBondContact O-N 2.88Å; H225-Y229 WeakPolarHBondContact O-CB 3.36Å; H225-Y229 PolarHBondContact O-N 2.65Å |
| 226 | L | 98.9 | Very high | 98.8 | Very high | 0 Ų | 0 | 36.7 Ų | 36.7 | 0% | 0 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -57.5 | -49.4 | 173.4 | 174.2 | 66.1 | 0 | 0 | 0 | 111.2 | M186 F190 L200 D222 E223 K228 Y229 L230 | M186-L226 WeakPolarHBondContact O-CD2 3.45Å; F190-L226 HydrophobicContact CB-CD1 4.41Å; F190-L226 HydrophobicContact CD1-CD2 4.28Å; F190-L226 HydrophobicContact CG-CD1 4.39Å; L200-L226 HydrophobicContact CD1-CD1 3.68Å; L200-L226 HydrophobicContact CD2-CD1 4.07Å; L200-L226 HydrophobicContact CG-CD1 4.23Å; D222-L226 WeakPolarHBondContact O-CB 3.49Å; D222-L226 PolarHBondContact O-N 3.02Å; E223-L226 PolarHBondContact O-N 2.99Å; L226-K228 VanDerWaalsContact C-N 3.32Å; L226-K228 PolarHBondContact O-N 3.38Å; L226-Y229 WeakPolarHBondContact O-CB 3.39Å; L226-Y229 PolarHBondContact O-N 2.67Å; L226-Y229 VanDerWaalsContact O-N 3.14Å; L226-L230 HydrophobicContact CD1-CD1 3.82Å; L226-L230 HydrophobicContact CD1-CG 4.02Å; L226-L230 HydrophobicContact CG-CD1 4.04Å; L226-L230 HydrophobicContact CG-CG 4.49Å; L226-L230 WeakPolarHBondContact O-CG 3.43Å; L226-L230 PolarHBondContact O-N 3.24Å |
| 227 | N | 98.9 | Very high | 98.8 | Very high | 1 Ų | 1 | 37 Ų | 37 | 1% | 0.005 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -61.3 | -41.8 | 179.2 | -85.1 | -79.5 | 0 | 0 | 0 | 112 | Y166 I176 Y185 E223 S224 H225 Y229 L230 L231 | Y166-N227 HydrophobicContact CD1-CB 3.8Å; Y166-N227 HydrophobicContact CE1-CB 3.65Å; Y166-N227 WeakPolarHBondContact CE1-OD1 3.35Å; I176-N227 HydrophobicContact CD1-CB 4.35Å; Y185-N227 WeakPolarHBondContact CD2-OD1 3.5Å; Y185-N227 PolarHBondContact N-OD1 3.23Å; Y185-N227 PolarHBondContact O-ND2 2.96Å; E223-N227 WeakPolarHBondContact O-CB 3.42Å; E223-N227 PolarHBondContact O-N 3.18Å; E223-N227 PolarHBondContact O-ND2 2.66Å; S224-N227 PolarHBondContact O-N 3.44Å; H225-N227 PolarHBondContact O-N 3.35Å; N227-Y229 VanDerWaalsContact C-N 3.35Å; N227-L230 PolarHBondContact O-N 3.26Å; N227-L231 WeakPolarHBondContact O-CB 3.41Å; N227-L231 PolarHBondContact O-N 2.63Å |
| 228 | K | 98.9 | Very high | 98.8 | Very high | 49 Ų | 49 | 34.1 Ų | 34.1 | 21% | 0.213 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -61 | -44 | 173.4 | 175.1 | 58.3 | 165.8 | -77.4 | 0 | 111.8 | Q173 Y175 I176 S224 H225 L226 R232 | Q173-K228 PolarHBondContact O-NZ 3.1Å; Y175-K228 PolarHBondContact O-NZ 3.07Å; I176-K228 HydrophobicContact CD1-CB 4.41Å; I176-K228 HydrophobicContact CG1-CD 4.21Å; S224-K228 PolarHBondContact O-N 3.41Å; S224-K228 VanDerWaalsContact O-N 3.14Å; H225-K228 PolarHBondContact O-N 2.88Å; L226-K228 VanDerWaalsContact C-N 3.32Å; L226-K228 PolarHBondContact O-N 3.38Å; K228-R232 HydrophobicContact CD-CG 4.43Å; K228-R232 PolarHBondContact O-N 2.93Å |
| 229 | Y | 98.9 | Very high | 98.8 | Very high | 20 Ų | 20 | 34 Ų | 34 | 8% | 0.078 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -61.9 | -50.1 | 178.8 | -175.9 | -89.7 | 0 | 0 | 0 | 111.2 | L148 L200 A203 H225 L226 N227 L231 R232 H233 | L148-Y229 HydrophobicContact CD2-CE1 4.08Å; L200-Y229 VanDerWaalsContact CA-CZ 3.46Å; L200-Y229 HydrophobicContact CB-CD1 3.94Å; L200-Y229 HydrophobicContact CB-CE1 3.57Å; L200-Y229 HydrophobicContact CB-CE2 4.44Å; L200-Y229 HydrophobicContact CD1-CD1 3.86Å; L200-Y229 HydrophobicContact CD1-CE1 4.04Å; L200-Y229 HydrophobicContact CG-CD1 3.66Å; L200-Y229 HydrophobicContact CG-CE1 3.84Å; L200-Y229 HydrophobicContact CG-CG 4.17Å; L200-Y229 PolarHBondContact N-OH 3.15Å; A203-Y229 HydrophobicContact CB-CD2 3.69Å; A203-Y229 HydrophobicContact CB-CE2 3.65Å; H225-Y229 WeakPolarHBondContact O-CB 3.36Å; H225-Y229 PolarHBondContact O-N 2.65Å; L226-Y229 WeakPolarHBondContact O-CB 3.39Å; L226-Y229 PolarHBondContact O-N 2.67Å; L226-Y229 VanDerWaalsContact O-N 3.14Å; N227-Y229 VanDerWaalsContact C-N 3.35Å; Y229-L231 VanDerWaalsContact C-N 3.32Å; Y229-L231 PolarHBondContact O-N 3.12Å; Y229-R232 CarbonylContact O-C 3.57Å; Y229-R232 PolarHBondContact O-N 3.03Å; Y229-H233 HydrophobicContact CD1-CB 4.18Å; Y229-H233 AromaticContact CD2-CE1 3.98Å; Y229-H233 AromaticContact CD2-ND1 3.56Å; Y229-H233 HydrophobicContact CE1-CB 3.74Å; Y229-H233 AromaticContact CE2-CE1 3.73Å; Y229-H233 AromaticContact CE2-CG 3.99Å; Y229-H233 AromaticContact CE2-ND1 3.46Å; Y229-H233 WeakPolarHBondContact CE2-ND1 3.3Å; Y229-H233 AromaticContact CG-ND1 3.89Å; Y229-H233 AromaticContact CZ-CG 3.77Å; Y229-H233 AromaticContact CZ-ND1 3.7Å; Y229-H233 PolarHBondContact O-N 3.44Å; Y229-H233 PolarHBondContact O-ND1 3.1Å; Y229-H233 VanDerWaalsContact O-ND1 3.1Å |
| 230 | L | 98.9 | Very high | 98.9 | Very high | 0 Ų | 0 | 30.6 Ų | 30.6 | 0% | 0 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -69.9 | -25.6 | -177.6 | -67.3 | 179.7 | 0 | 0 | 0 | 113.7 | L148 Y185 L200 L226 N227 R232 H233 P235 | L148-L230 HydrophobicContact CD1-CD2 4.23Å; L148-L230 HydrophobicContact CD2-CD2 3.9Å; L148-L230 HydrophobicContact CG-CD2 4.1Å; Y185-L230 HydrophobicContact CD1-CD1 4.02Å; Y185-L230 HydrophobicContact CD2-CB 3.78Å; Y185-L230 HydrophobicContact CD2-CD1 3.59Å; Y185-L230 HydrophobicContact CD2-CG 4.34Å; Y185-L230 HydrophobicContact CE1-CD1 4.42Å; Y185-L230 HydrophobicContact CE2-CB 3.6Å; Y185-L230 HydrophobicContact CE2-CD1 4.03Å; Y185-L230 HydrophobicContact CE2-CG 4.49Å; Y185-L230 HydrophobicContact CG-CD1 3.56Å; L200-L230 HydrophobicContact CD1-CD2 4.29Å; L226-L230 HydrophobicContact CD1-CD1 3.82Å; L226-L230 HydrophobicContact CD1-CG 4.02Å; L226-L230 HydrophobicContact CG-CD1 4.04Å; L226-L230 HydrophobicContact CG-CG 4.49Å; L226-L230 WeakPolarHBondContact O-CG 3.43Å; L226-L230 PolarHBondContact O-N 3.24Å; N227-L230 PolarHBondContact O-N 3.26Å; L230-R232 VanDerWaalsContact C-N 3.31Å; L230-H233 WeakPolarHBondContact CA-O 3.42Å; L230-H233 CarbonylContact O-C 3.56Å; L230-P235 HydrophobicContact CD2-CB 4.2Å; L230-P235 HydrophobicContact CD2-CG 4.43Å |
| 231 | L | 98.9 | Very high | 98.9 | Very high | 11 Ų | 11 | 25 Ų | 25 | 6% | 0.058 | 11% | 0.112 | C | C | . | . | H | α-helix | trans | -63.6 | -39.1 | 169 | 175.4 | 62.8 | 0 | 0 | 0 | 111.4 | I176 E180 N227 Y229 K234 | I176-L231 HydrophobicContact CB-CD2 4.45Å; I176-L231 HydrophobicContact CD1-CD2 3.93Å; I176-L231 HydrophobicContact CG1-CD2 4Å; I176-L231 HydrophobicContact CG2-CD2 3.68Å; E180-L231 HydrophobicContact CB-CD2 4.3Å; N227-L231 WeakPolarHBondContact O-CB 3.41Å; N227-L231 PolarHBondContact O-N 2.63Å; Y229-L231 VanDerWaalsContact C-N 3.32Å; Y229-L231 PolarHBondContact O-N 3.12Å; L231-K234 WeakPolarHBondContact O-CE 3.33Å; L231-K234 PolarHBondContact O-NZ 3.25Å |
| 232 | R | 98.8 | Very high | 98.9 | Very high | 130 Ų | 130 | 24 Ų | 24 | 49% | 0.491 | 11% | 0.108 | S | C | . | . | H | α-helix | trans | -90.6 | -24.8 | -177.2 | -60.3 | -59.2 | -177.2 | -147.2 | -6.3 | 113.3 | E180 K228 Y229 L230 | E180-R232 IonicContact OE1-NH2 3.73Å; E180-R232 PolarHBondContact OE1-NH2 2.92Å; E180-R232 IonicContact OE2-CZ 3.58Å; E180-R232 IonicContact OE2-NH1 3.53Å; E180-R232 PolarHBondContact OE2-NH1 2.9Å; E180-R232 IonicContact OE2-NH2 3.51Å; E180-R232 PolarHBondContact OE2-NH2 3.08Å; K228-R232 HydrophobicContact CD-CG 4.43Å; K228-R232 PolarHBondContact O-N 2.93Å; Y229-R232 CarbonylContact O-C 3.57Å; Y229-R232 PolarHBondContact O-N 3.03Å; L230-R232 VanDerWaalsContact C-N 3.31Å |
| 233 | H | 98.9 | Very high | 98.9 | Very high | 92 Ų | 92 | 23.8 Ų | 23.8 | 43% | 0.426 | 11% | 0.107 | S | C | . | . | S | Bend | trans | -126.6 | 92.2 | 179.2 | -51.8 | 89.4 | 0 | 0 | 0 | 108 | Y229 L230 | Y229-H233 HydrophobicContact CD1-CB 4.18Å; Y229-H233 AromaticContact CD2-CE1 3.98Å; Y229-H233 AromaticContact CD2-ND1 3.56Å; Y229-H233 HydrophobicContact CE1-CB 3.74Å; Y229-H233 AromaticContact CE2-CE1 3.73Å; Y229-H233 AromaticContact CE2-CG 3.99Å; Y229-H233 AromaticContact CE2-ND1 3.46Å; Y229-H233 WeakPolarHBondContact CE2-ND1 3.3Å; Y229-H233 AromaticContact CG-ND1 3.89Å; Y229-H233 AromaticContact CZ-CG 3.77Å; Y229-H233 AromaticContact CZ-ND1 3.7Å; Y229-H233 PolarHBondContact O-N 3.44Å; Y229-H233 PolarHBondContact O-ND1 3.1Å; Y229-H233 VanDerWaalsContact O-ND1 3.1Å; L230-H233 WeakPolarHBondContact CA-O 3.42Å; L230-H233 CarbonylContact O-C 3.56Å |
| 234 | K | 98.9 | Very high | 98.9 | Very high | 80 Ų | 80 | 23.1 Ų | 23.1 | 35% | 0.348 | 10% | 0.104 | S | C | . | . | trans | -61.8 | 128.3 | -170 | -58.3 | -53.7 | -169.9 | -171.1 | 0 | 110.7 | W10 D182 L231 | W10-K234 HydrophobicContact CD2-CB 4.04Å; W10-K234 HydrophobicContact CD2-CD 4.21Å; W10-K234 HydrophobicContact CD2-CG 4.12Å; W10-K234 HydrophobicContact CE3-CD 4.21Å; W10-K234 HydrophobicContact CG-CB 3.97Å; W10-K234 HydrophobicContact CG-CG 4.17Å; W10-K234 HydrophobicContact CZ3-CD 4.38Å; D182-K234 IonicContact OD1-NZ 3.79Å; D182-K234 PolarHBondContact OD1-NZ 2.97Å; D182-K234 IonicContact OD2-NZ 2.63Å; D182-K234 PolarHBondContact OD2-NZ 3.24Å; L231-K234 WeakPolarHBondContact O-CE 3.33Å; L231-K234 PolarHBondContact O-NZ 3.25Å | ||
| 235 | P | 98.9 | Very high | 98.9 | Very high | 0 Ų | 0 | 23.2 Ų | 23.2 | 0% | 0 | 10% | 0.104 | C | C | . | . | trans | -67.4 | 143.2 | 176.8 | 28.9 | -34.9 | 0 | 0 | 0 | 110.5 | W10 A12 L148 Y185 L230 K237 V238 | W10-P235 HydrophobicContact CZ2-CG 4.1Å; W10-P235 PolarHBondContact NE1-O 2.86Å; A12-P235 VanDerWaalsContact CB-O 3.23Å; A12-P235 WeakPolarHBondContact CB-O 3.21Å; L148-P235 HydrophobicContact CG-CB 4.29Å; L148-P235 CarbonylContact O-C 3.51Å; L148-P235 WeakPolarHBondContact O-CA 3.13Å; Y185-P235 HydrophobicContact CE1-CG 4.23Å; L230-P235 HydrophobicContact CD2-CB 4.2Å; L230-P235 HydrophobicContact CD2-CG 4.43Å; P235-K237 WeakPolarHBondContact CB-O 3.39Å; P235-V238 HydrophobicContact CG-CG2 3.8Å | ||
| 236 | T | 98.9 | Very high | 98.8 | Very high | 57 Ų | 57 | 24.6 Ų | 24.6 | 35% | 0.35 | 11% | 0.111 | S | C | . | . | S | Bend | trans | -82.5 | -13.7 | -178.8 | 51.8 | 0 | 0 | 0 | 0 | 113.4 | A12 P13 T146 P147 L148 | A12-T236 WeakPolarHBondContact CB-O 3.24Å; P13-T236 WeakPolarHBondContact CD-O 3.19Å; T146-T236 WeakPolarHBondContact CG2-OG1 3.46Å; T146-T236 WeakPolarHBondContact OG1-CB 2.79Å; T146-T236 PolarHBondContact OG1-OG1 2.69Å; P147-T236 HydrophobicContact CB-CG2 4.38Å; P147-T236 WeakPolarHBondContact CD-OG1 3.38Å; L148-T236 PolarHBondContact N-OG1 2.87Å; L148-T236 PolarHBondContact O-N 3.08Å; L148-T236 PolarHBondContact O-OG1 3.42Å |
| 237 | K | 98.9 | Very high | 98.8 | Very high | 32 Ų | 32 | 28 Ų | 28 | 14% | 0.139 | 13% | 0.127 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.4 | 152.9 | 158 | -69.3 | -179.9 | -178.2 | 168 | 0 | 109.6 | P13 V15 E143 L145 T146 L148 F149 P235 | P13-K237 HydrophobicContact CB-CG 4.46Å; P13-K237 HydrophobicContact CG-CG 4.39Å; P13-K237 WeakPolarHBondContact O-CA 3.31Å; V15-K237 HydrophobicContact CG2-CB 4.42Å; V15-K237 HydrophobicContact CG2-CD 4.14Å; E143-K237 WeakPolarHBondContact O-CD 3.32Å; E143-K237 PolarHBondContact O-NZ 3.03Å; L145-K237 WeakPolarHBondContact O-CE 3.47Å; L145-K237 PolarHBondContact O-NZ 2.82Å; T146-K237 HydrophobicContact CG2-CB 3.71Å; T146-K237 HydrophobicContact CG2-CD 4.06Å; T146-K237 HydrophobicContact CG2-CG 3.84Å; L148-K237 PolarHBondContact O-N 2.98Å; F149-K237 VanDerWaalsContact CA-O 3.23Å; F149-K237 WeakPolarHBondContact CA-O 3.45Å; F149-K237 HydrophobicContact CB-CB 4.31Å; F149-K237 VanDerWaalsContact CB-O 3.25Å; F149-K237 WeakPolarHBondContact CB-O 3.42Å; P235-K237 WeakPolarHBondContact CB-O 3.39Å |
| 238 | V | 98.9 | Very high | 98.7 | Very high | 0 Ų | 0 | 34.7 Ų | 34.7 | 0% | 0 | 16% | 0.159 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.5 | 130.6 | 169.9 | 177.9 | 0 | 0 | 0 | 0 | 108.2 | T8 W10 P13 I14 V15 G150 L152 Y185 P235 | T8-V238 HydrophobicContact CG2-CG2 3.88Å; W10-V238 HydrophobicContact CZ2-CG2 4.24Å; P13-V238 PolarHBondContact O-N 3.19Å; I14-V238 CarbonylContact C-O 3.5Å; I14-V238 VanDerWaalsContact CA-O 3.22Å; I14-V238 WeakPolarHBondContact CA-O 3.44Å; I14-V238 HydrophobicContact CG1-CB 4.3Å; I14-V238 HydrophobicContact CG2-CB 4.4Å; I14-V238 HydrophobicContact CG2-CG1 4.34Å; V15-V238 PolarHBondContact N-O 2.77Å; G150-V238 CarbonylContact O-C 3.57Å; G150-V238 WeakPolarHBondContact O-CA 3.41Å; L152-V238 HydrophobicContact CD1-CG1 4.36Å; L152-V238 HydrophobicContact CD2-CG1 3.66Å; L152-V238 HydrophobicContact CG-CG1 3.67Å; Y185-V238 HydrophobicContact CE1-CG1 4.09Å; Y185-V238 HydrophobicContact CE1-CG2 4.14Å; P235-V238 HydrophobicContact CG-CG2 3.8Å |
| 239 | L | 98.9 | Very high | 98.6 | Very high | 0 Ų | 0 | 38.6 Ų | 38.6 | 0% | 0 | 18% | 0.181 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.5 | 136 | 176.6 | -51.8 | -172 | 0 | 0 | 0 | 109.8 | V15 I144 F149 G150 T151 L152 F189 Y243 | V15-L239 HydrophobicContact CB-CD2 3.94Å; V15-L239 HydrophobicContact CG2-CD2 3.77Å; I144-L239 HydrophobicContact CB-CD1 3.97Å; I144-L239 HydrophobicContact CB-CD2 3.77Å; I144-L239 HydrophobicContact CG2-CD1 3.89Å; I144-L239 HydrophobicContact CG2-CD2 3.79Å; F149-L239 HydrophobicContact CD2-CD1 3.64Å; F149-L239 HydrophobicContact CD2-CG 3.83Å; F149-L239 HydrophobicContact CE2-CD1 3.64Å; F149-L239 HydrophobicContact CE2-CG 4.35Å; F149-L239 HydrophobicContact CG-CG 4.49Å; G150-L239 PolarHBondContact O-N 3.49Å; T151-L239 HydrophobicContact CG2-CB 3.98Å; L152-L239 WeakPolarHBondContact CG-O 3.48Å; L152-L239 PolarHBondContact N-O 2.99Å; F189-L239 HydrophobicContact CD1-CD1 4.37Å; F189-L239 HydrophobicContact CE1-CD1 3.93Å; F189-L239 HydrophobicContact CZ-CD1 4.04Å; L239-Y243 HydrophobicContact CB-CD2 3.93Å; L239-Y243 HydrophobicContact CB-CG 4.01Å; L239-Y243 HydrophobicContact CD1-CD1 4.18Å; L239-Y243 HydrophobicContact CD1-CG 4.06Å |
| 240 | S | 98.9 | Very high | 98.5 | Very high | 0 Ų | 0 | 40.6 Ų | 40.6 | 0% | 0 | 19% | 0.193 | C | C | . | . | trans | -67.9 | 167.6 | 172.8 | 66.3 | 0 | 0 | 0 | 0 | 112 | V15 E242 Y243 | V15-S240 WeakPolarHBondContact O-CB 3.44Å; V15-S240 PolarHBondContact O-N 2.82Å; V15-S240 VanDerWaalsContact O-N 3.15Å; V15-S240 PolarHBondContact O-OG 3.11Å; S240-E242 PolarHBondContact O-N 3.29Å; S240-E242 WeakPolarHBondContact OG-CB 3.28Å; S240-E242 WeakPolarHBondContact OG-CG 3.13Å; S240-E242 PolarHBondContact OG-N 2.88Å; S240-Y243 PolarHBondContact O-N 3.43Å | ||
| 241 | P | 98.8 | Very high | 98.5 | Very high | 0 Ų | 0 | 42.1 Ų | 42.1 | 0% | 0 | 21% | 0.209 | C | C | . | . | G | 310 helix | trans | -62.9 | -6.6 | 173.9 | -20 | 33.2 | 0 | 0 | 0 | 114.4 | W16 L152 P154 Y157 Y243 L244 W245 L256 | W16-P241 VanDerWaalsContact CH2-CD 3.48Å; W16-P241 HydrophobicContact CH2-CG 4.37Å; L152-P241 HydrophobicContact CB-CG 4.09Å; P154-P241 HydrophobicContact CB-CB 4.36Å; Y157-P241 HydrophobicContact CD1-CB 4.36Å; Y157-P241 HydrophobicContact CD1-CG 3.64Å; Y157-P241 HydrophobicContact CD2-CG 4.21Å; Y157-P241 HydrophobicContact CE1-CG 4.36Å; Y157-P241 HydrophobicContact CG-CG 3.56Å; P241-Y243 PolarHBondContact O-N 3.13Å; P241-L244 CarbonylContact O-C 3.52Å; P241-L244 VanDerWaalsContact O-C 3.28Å; P241-L244 PolarHBondContact O-N 2.94Å; P241-W245 HydrophobicContact CB-CE3 3.59Å; P241-W245 HydrophobicContact CB-CZ3 3.64Å; P241-L256 HydrophobicContact CB-CD2 4.12Å |
| 242 | E | 98.9 | Very high | 98.5 | Very high | 0 Ų | 0 | 48.5 Ų | 48.5 | 0% | 0 | 23% | 0.232 | C | C | . | . | G | 310 helix | trans | -58.7 | -30 | 169.4 | -60.2 | -179.8 | 173.6 | 0 | 0 | 111.2 | R1 W16 E17 S240 L256 K258 R260 | R1-E242 IonicContact NH1-OE1 3.68Å; W16-E242 HydrophobicContact CE3-CG 4.14Å; W16-E242 HydrophobicContact CZ3-CG 4.42Å; E17-E242 WeakPolarHBondContact CB-OE1 3.34Å; E17-E242 WeakPolarHBondContact CB-OE2 3.16Å; E17-E242 PolarHBondContact N-OE1 3.33Å; E17-E242 PolarHBondContact N-OE2 2.71Å; S240-E242 PolarHBondContact O-N 3.29Å; S240-E242 WeakPolarHBondContact OG-CB 3.28Å; S240-E242 WeakPolarHBondContact OG-CG 3.13Å; S240-E242 PolarHBondContact OG-N 2.88Å; E242-L256 HydrophobicContact CG-CD2 3.71Å; E242-K258 WeakPolarHBondContact CB-O 3.31Å; E242-K258 WeakPolarHBondContact CG-O 3.32Å; E242-R260 HydrophobicContact CB-CG 4.26Å; E242-R260 WeakPolarHBondContact O-CA 3.07Å; E242-R260 VanDerWaalsContact O-CB 3.22Å; E242-R260 WeakPolarHBondContact O-CB 3.46Å; E242-R260 WeakPolarHBondContact O-CG 3.27Å; E242-R260 PolarHBondContact O-N 2.84Å; E242-R260 IonicContact OE2-CZ 3.86Å; E242-R260 IonicContact OE2-NE 3.9Å; E242-R260 PolarHBondContact OE2-NE 3.07Å; E242-R260 VanDerWaalsContact OE2-NE 3.15Å; E242-R260 IonicContact OE2-NH2 2.74Å; E242-R260 PolarHBondContact OE2-NH2 2.69Å |
| 243 | Y | 98.9 | Very high | 98.4 | Very high | 0 Ų | 0 | 44.2 Ų | 44.2 | 0% | 0 | 22% | 0.221 | C | C | . | . | G | 310 helix | trans | -88.8 | -5.3 | -178.1 | -67.8 | -91.4 | 0 | 0 | 0 | 113.7 | V15 V140 E143 I144 F189 L239 S240 P241 R260 F261 | V15-Y243 HydrophobicContact CB-CE2 4.19Å; V15-Y243 HydrophobicContact CG1-CE2 3.79Å; V15-Y243 WeakPolarHBondContact CG1-OH 3.32Å; V140-Y243 HydrophobicContact CG1-CD1 4.14Å; V140-Y243 HydrophobicContact CG1-CE1 4.24Å; V140-Y243 HydrophobicContact CG2-CD1 4.17Å; V140-Y243 HydrophobicContact CG2-CE1 4.38Å; E143-Y243 WeakPolarHBondContact CG-OH 3.24Å; E143-Y243 WeakPolarHBondContact OE1-CE1 3.21Å; E143-Y243 PolarHBondContact OE1-OH 2.84Å; I144-Y243 HydrophobicContact CG2-CD1 3.82Å; I144-Y243 HydrophobicContact CG2-CE1 3.33Å; F189-Y243 WeakPolarHBondContact CD2-O 3.21Å; F189-Y243 WeakPolarHBondContact CE2-O 3.48Å; L239-Y243 HydrophobicContact CB-CD2 3.93Å; L239-Y243 HydrophobicContact CB-CG 4.01Å; L239-Y243 HydrophobicContact CD1-CD1 4.18Å; L239-Y243 HydrophobicContact CD1-CG 4.06Å; S240-Y243 PolarHBondContact O-N 3.43Å; P241-Y243 PolarHBondContact O-N 3.13Å; Y243-R260 VanDerWaalsContact CE1-CD 3.46Å; Y243-R260 VanDerWaalsContact CZ-CD 3.45Å; Y243-F261 WeakPolarHBondContact O-CB 3.37Å |
| 244 | L | 98.3 | Very high | 98.4 | Very high | 5 Ų | 5 | 44.9 Ų | 44.9 | 3% | 0.026 | 24% | 0.242 | C | C | . | . | S | Bend | trans | -158.7 | 110.8 | 170.2 | -169.7 | 137.9 | 0 | 0 | 0 | 109.8 | M134 T151 P154 M186 A188 F189 P241 F261 | M134-L244 HydrophobicContact CE-CD1 4.03Å; M134-L244 HydrophobicContact CE-CG 3.81Å; T151-L244 HydrophobicContact CG2-CB 3.87Å; P154-L244 WeakPolarHBondContact CB-O 3.31Å; P154-L244 HydrophobicContact CG-CD2 3.85Å; M186-L244 HydrophobicContact CB-CD1 4.44Å; M186-L244 HydrophobicContact CB-CD2 4.36Å; M186-L244 HydrophobicContact CE-CD2 4.09Å; M186-L244 HydrophobicContact CG-CD1 3.72Å; M186-L244 HydrophobicContact CG-CD2 3.64Å; M186-L244 HydrophobicContact CG-CG 4.27Å; M186-L244 HydrophobicContact SD-CD2 3.79Å; A188-L244 HydrophobicContact CB-CD1 3.63Å; F189-L244 HydrophobicContact CB-CD1 3.78Å; P241-L244 CarbonylContact O-C 3.52Å; P241-L244 VanDerWaalsContact O-C 3.28Å; P241-L244 PolarHBondContact O-N 2.94Å; L244-F261 WeakPolarHBondContact CA-O 3.46Å |
| 245 | W | 98.7 | Very high | 98.4 | Very high | 4 Ų | 4 | 42.5 Ų | 42.5 | 2% | 0.015 | 24% | 0.235 | C | C | . | . | B | Isolated β-bridge | trans | -139.2 | 148.3 | -173.1 | -164 | -107.4 | 0 | 0 | 0 | 113.8 | P154 Y157 P241 L250 G251 P253 L256 L259 F261 T262 A263 | P154-W245 HydrophobicContact CB-CD2 4.23Å; P154-W245 HydrophobicContact CB-CE3 3.32Å; P154-W245 HydrophobicContact CB-CH2 4.45Å; P154-W245 HydrophobicContact CB-CZ3 3.44Å; P154-W245 VanDerWaalsContact CB-CZ3 3.44Å; Y157-W245 HydrophobicContact CD1-CZ3 4.33Å; Y157-W245 AromaticContact CE1-CH2 3.82Å; Y157-W245 HydrophobicContact CE1-CH2 3.82Å; Y157-W245 AromaticContact CE1-CZ3 3.75Å; Y157-W245 HydrophobicContact CE1-CZ3 3.75Å; P241-W245 HydrophobicContact CB-CE3 3.59Å; P241-W245 HydrophobicContact CB-CZ3 3.64Å; W245-L250 HydrophobicContact CE3-CD1 4.4Å; W245-L250 HydrophobicContact CH2-CB 3.85Å; W245-L250 HydrophobicContact CH2-CD1 3.89Å; W245-L250 HydrophobicContact CH2-CG 4.49Å; W245-L250 HydrophobicContact CZ2-CB 3.32Å; W245-L250 HydrophobicContact CZ2-CD1 4.07Å; W245-L250 HydrophobicContact CZ2-CG 4.34Å; W245-L250 HydrophobicContact CZ3-CD1 4.07Å; W245-G251 PolarHBondContact NE1-O 2.82Å; W245-P253 HydrophobicContact CH2-CG 3.92Å; W245-P253 VanDerWaalsContact CZ2-CD 3.44Å; W245-P253 HydrophobicContact CZ2-CG 3.7Å; W245-L256 HydrophobicContact CD2-CD1 3.38Å; W245-L256 HydrophobicContact CE3-CD1 3.44Å; W245-L256 VanDerWaalsContact CE3-CD1 3.44Å; W245-L256 HydrophobicContact CG-CD1 4.13Å; W245-L256 HydrophobicContact CH2-CD1 3.62Å; W245-L256 HydrophobicContact CZ2-CD1 3.51Å; W245-L256 HydrophobicContact CZ3-CD1 3.58Å; W245-L259 HydrophobicContact CB-CD2 4.19Å; W245-L259 VanDerWaalsContact CD1-CD2 3.5Å; W245-L259 HydrophobicContact CD2-CD2 4.32Å; W245-L259 HydrophobicContact CG-CD2 3.73Å; W245-F261 PolarHBondContact N-O 2.94Å; W245-T262 HydrophobicContact CB-CG2 4.29Å; W245-T262 CarbonylContact O-C 3.47Å; W245-T262 WeakPolarHBondContact O-CA 3.1Å; W245-A263 PolarHBondContact O-N 3.47Å |
| 246 | D | 98.3 | Very high | 98.4 | Very high | 36 Ų | 36 | 42.7 Ų | 42.7 | 19% | 0.193 | 24% | 0.235 | C | C | . | . | trans | -115 | 97.7 | 168.7 | -171 | -37.3 | 0 | 0 | 0 | 108.8 | Q248 L249 L250 A263 | D246-Q248 VanDerWaalsContact C-N 3.26Å; D246-Q248 PolarHBondContact O-N 3Å; D246-Q248 WeakPolarHBondContact OD1-CA 3.34Å; D246-Q248 WeakPolarHBondContact OD1-CB 3.32Å; D246-Q248 PolarHBondContact OD1-N 3.49Å; D246-L249 HydrophobicContact CB-CB 4.29Å; D246-L249 PolarHBondContact O-N 3.17Å; D246-L249 PolarHBondContact OD1-N 3.17Å; D246-L249 WeakPolarHBondContact OD2-CD1 3.16Å; D246-L250 VanDerWaalsContact O-CB 3.3Å; D246-L250 WeakPolarHBondContact O-CB 3.02Å; D246-L250 PolarHBondContact O-N 2.73Å; D246-A263 HydrophobicContact CB-CB 4.18Å | ||
| 247 | Q | 97.7 | Very high | 98.3 | Very high | 71 Ų | 71 | 46.6 Ų | 46.6 | 33% | 0.332 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -68 | -29 | -178.6 | -168.4 | -176.3 | 12.6 | 0 | 0 | 112.1 | G251 L259 | Q247-G251 VanDerWaalsContact O-CA 3.29Å; Q247-G251 WeakPolarHBondContact O-CA 3.43Å; Q247-G251 PolarHBondContact O-N 3.05Å; Q247-L259 HydrophobicContact CB-CD1 4.36Å; Q247-L259 HydrophobicContact CG-CD1 4.15Å |
| 248 | Q | 96.8 | Very high | 98.3 | Very high | 142 Ų | 142 | 47.4 Ų | 47.4 | 66% | 0.664 | 25% | 0.247 | S | C | * | . | H | α-helix | trans | -68.8 | -41.5 | -179.3 | -177.2 | 177.9 | 9.1 | 0 | 0 | 110.7 | D246 | D246-Q248 VanDerWaalsContact C-N 3.26Å; D246-Q248 PolarHBondContact O-N 3Å; D246-Q248 WeakPolarHBondContact OD1-CA 3.34Å; D246-Q248 WeakPolarHBondContact OD1-CB 3.32Å; D246-Q248 PolarHBondContact OD1-N 3.49Å |
| 249 | L | 96.5 | Very high | 98.3 | Very high | 131 Ų | 131 | 47.8 Ų | 47.8 | 69% | 0.686 | 25% | 0.249 | S | C | * | . | H | α-helix | trans | -85.2 | -33.9 | -178.9 | -65.3 | -178.9 | 0 | 0 | 0 | 113.3 | D246 | D246-L249 HydrophobicContact CB-CB 4.29Å; D246-L249 PolarHBondContact O-N 3.17Å; D246-L249 PolarHBondContact OD1-N 3.17Å; D246-L249 WeakPolarHBondContact OD2-CD1 3.16Å |
| 250 | L | 98.1 | Very high | 98.3 | Very high | 61 Ų | 61 | 47.8 Ų | 47.8 | 32% | 0.319 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -117.5 | -1.2 | -166.3 | -55.6 | 170.8 | 0 | 0 | 0 | 113.8 | P154 W245 D246 | P154-L250 HydrophobicContact CB-CD1 3.56Å; P154-L250 HydrophobicContact CG-CD1 4.09Å; W245-L250 HydrophobicContact CE3-CD1 4.4Å; W245-L250 HydrophobicContact CH2-CB 3.85Å; W245-L250 HydrophobicContact CH2-CD1 3.89Å; W245-L250 HydrophobicContact CH2-CG 4.49Å; W245-L250 HydrophobicContact CZ2-CB 3.32Å; W245-L250 HydrophobicContact CZ2-CD1 4.07Å; W245-L250 HydrophobicContact CZ2-CG 4.34Å; W245-L250 HydrophobicContact CZ3-CD1 4.07Å; D246-L250 VanDerWaalsContact O-CB 3.3Å; D246-L250 WeakPolarHBondContact O-CB 3.02Å; D246-L250 PolarHBondContact O-N 2.73Å |
| 251 | G | 98.3 | Very high | 98.3 | Very high | 33 Ų | 33 | 47.8 Ų | 47.8 | 34% | 0.34 | 25% | 0.249 | S | C | . | . | trans | 65 | -149 | -177.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | W245 Q247 | W245-G251 PolarHBondContact NE1-O 2.82Å; Q247-G251 VanDerWaalsContact O-CA 3.29Å; Q247-G251 WeakPolarHBondContact O-CA 3.43Å; Q247-G251 PolarHBondContact O-N 3.05Å | ||
| 252 | W | 98.4 | Very high | 98.3 | Very high | 145 Ų | 145 | 47.8 Ų | 47.8 | 55% | 0.549 | 25% | 0.25 | S | C | . | . | trans | -132.3 | 85.6 | 174.7 | -168.4 | -16.5 | 0 | 0 | 0 | 109.8 | L256 L259 | W252-L256 PolarHBondContact NE1-O 3.42Å; W252-L259 HydrophobicContact CB-CD1 4.34Å; W252-L259 HydrophobicContact CD2-CD1 3.62Å; W252-L259 HydrophobicContact CD2-CG 3.91Å; W252-L259 HydrophobicContact CE3-CD1 3.83Å; W252-L259 HydrophobicContact CE3-CG 4.41Å; W252-L259 HydrophobicContact CG-CD1 3.86Å; W252-L259 HydrophobicContact CG-CD2 4.45Å; W252-L259 HydrophobicContact CG-CG 4.21Å; W252-L259 HydrophobicContact CZ2-CG 4.13Å; W252-L259 HydrophobicContact CZ3-CD1 4.39Å | ||
| 253 | P | 98.2 | Very high | 98.3 | Very high | 40 Ų | 40 | 48.6 Ų | 48.6 | 26% | 0.26 | 26% | 0.256 | S | S | . | . | trans | -68.3 | 147.8 | 179.8 | 28 | -35.6 | 0 | 0 | 0 | 111.6 | W245 V255 L256 | W245-P253 HydrophobicContact CH2-CG 3.92Å; W245-P253 VanDerWaalsContact CZ2-CD 3.44Å; W245-P253 HydrophobicContact CZ2-CG 3.7Å; P253-V255 HydrophobicContact CB-CG1 4.19Å; P253-V255 HydrophobicContact CG-CG1 4.16Å; P253-V255 PolarHBondContact O-N 3.46Å; P253-L256 HydrophobicContact CG-CD1 3.82Å; P253-L256 HydrophobicContact CG-CG 4.06Å; P253-L256 PolarHBondContact O-N 3.18Å | ||
| 254 | A | 98 | Very high | 98.2 | Very high | 105 Ų | 105 | 49.7 Ų | 49.7 | 87% | 0.868 | 26% | 0.263 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.9 | -20.8 | -176 | 0 | 0 | 0 | 0 | 0 | 114.7 | L256 | A254-L256 PolarHBondContact O-N 3.31Š|
| 255 | V | 98.4 | Very high | 98.1 | Very high | 31 Ų | 31 | 53.6 Ų | 53.6 | 19% | 0.188 | 29% | 0.289 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -66.3 | -27 | 175.7 | 72 | 0 | 0 | 0 | 0 | 112.5 | R1 V4 W16 Y157 P253 | R1-V255 PolarHBondContact NH2-O 3Å; V4-V255 HydrophobicContact CG1-CG2 3.23Å; W16-V255 HydrophobicContact CH2-CG2 4.43Å; W16-V255 HydrophobicContact CZ3-CG2 4.26Å; Y157-V255 HydrophobicContact CE2-CG1 4.16Å; P253-V255 HydrophobicContact CB-CG1 4.19Å; P253-V255 HydrophobicContact CG-CG1 4.16Å; P253-V255 PolarHBondContact O-N 3.46Å |
| 256 | L | 98.7 | Very high | 97.9 | Very high | 3 Ų | 3 | 56.2 Ų | 56.2 | 2% | 0.016 | 30% | 0.3 | C | S | . | . | trans | -91.4 | 105.4 | 176.5 | -59.4 | 176.5 | 0 | 0 | 0 | 109.2 | W16 P241 E242 W245 W252 P253 A254 K258 L259 | W16-L256 HydrophobicContact CZ3-CD2 3.79Å; P241-L256 HydrophobicContact CB-CD2 4.12Å; E242-L256 HydrophobicContact CG-CD2 3.71Å; W245-L256 HydrophobicContact CD2-CD1 3.38Å; W245-L256 HydrophobicContact CE3-CD1 3.44Å; W245-L256 VanDerWaalsContact CE3-CD1 3.44Å; W245-L256 HydrophobicContact CG-CD1 4.13Å; W245-L256 HydrophobicContact CH2-CD1 3.62Å; W245-L256 HydrophobicContact CZ2-CD1 3.51Å; W245-L256 HydrophobicContact CZ3-CD1 3.58Å; W252-L256 PolarHBondContact NE1-O 3.42Å; P253-L256 HydrophobicContact CG-CD1 3.82Å; P253-L256 HydrophobicContact CG-CG 4.06Å; P253-L256 PolarHBondContact O-N 3.18Å; A254-L256 PolarHBondContact O-N 3.31Å; L256-K258 VanDerWaalsContact C-N 3.28Å; L256-L259 HydrophobicContact CB-CD2 4.06Å; L256-L259 HydrophobicContact CD1-CD2 3.65Å; L256-L259 HydrophobicContact CG-CD2 4.48Å | ||
| 257 | R | 98.7 | Very high | 97.8 | Very high | 139 Ų | 139 | 59.4 Ų | 59.4 | 53% | 0.525 | 32% | 0.317 | S | S | . | . | S | Bend | trans | -75.9 | -23.7 | 176.9 | -63.1 | -179.1 | 177.4 | -167.2 | -5.4 | 112.1 | E17 | E17-R257 HydrophobicContact CB-CB 3.88Å; E17-R257 HydrophobicContact CG-CB 3.93Å |
| 258 | K | 98.8 | Very high | 97.3 | Very high | 49 Ų | 49 | 60.4 Ų | 60.4 | 21% | 0.213 | 32% | 0.322 | C | S | . | . | trans | -139.5 | 148.2 | 178.7 | -70.2 | 178.9 | 170.7 | -88 | 0 | 110.1 | E17 D138 E242 L256 R260 | E17-K258 HydrophobicContact CB-CD 4.47Å; E17-K258 HydrophobicContact CG-CD 4.04Å; E17-K258 HydrophobicContact CG-CG 4.28Å; E17-K258 WeakPolarHBondContact OE2-CD 3.19Å; E17-K258 WeakPolarHBondContact OE2-CE 3.49Å; D138-K258 IonicContact OD1-NZ 2.81Å; D138-K258 PolarHBondContact OD1-NZ 3.49Å; D138-K258 WeakPolarHBondContact OD2-CD 3.24Å; D138-K258 VanDerWaalsContact OD2-CG 3.32Å; D138-K258 WeakPolarHBondContact OD2-CG 3.4Å; D138-K258 IonicContact OD2-NZ 3.88Å; D138-K258 PolarHBondContact OD2-NZ 3.42Å; E242-K258 WeakPolarHBondContact CB-O 3.31Å; E242-K258 WeakPolarHBondContact CG-O 3.32Å; L256-K258 VanDerWaalsContact C-N 3.28Å; K258-R260 HydrophobicContact CB-CG 4.1Å | ||
| 259 | L | 98.8 | Very high | 97 | Very high | 8 Ų | 8 | 60.2 Ų | 60.2 | 4% | 0.042 | 32% | 0.321 | C | S | . | . | trans | -113.2 | 102.2 | 166.3 | -57.6 | -176 | 0 | 0 | 0 | 106.7 | R137 W245 Q247 W252 L256 T262 | R137-L259 WeakPolarHBondContact CB-O 3.2Å; W245-L259 HydrophobicContact CB-CD2 4.19Å; W245-L259 VanDerWaalsContact CD1-CD2 3.5Å; W245-L259 HydrophobicContact CD2-CD2 4.32Å; W245-L259 HydrophobicContact CG-CD2 3.73Å; Q247-L259 HydrophobicContact CB-CD1 4.36Å; Q247-L259 HydrophobicContact CG-CD1 4.15Å; W252-L259 HydrophobicContact CB-CD1 4.34Å; W252-L259 HydrophobicContact CD2-CD1 3.62Å; W252-L259 HydrophobicContact CD2-CG 3.91Å; W252-L259 HydrophobicContact CE3-CD1 3.83Å; W252-L259 HydrophobicContact CE3-CG 4.41Å; W252-L259 HydrophobicContact CG-CD1 3.86Å; W252-L259 HydrophobicContact CG-CD2 4.45Å; W252-L259 HydrophobicContact CG-CG 4.21Å; W252-L259 HydrophobicContact CZ2-CG 4.13Å; W252-L259 HydrophobicContact CZ3-CD1 4.39Å; L256-L259 HydrophobicContact CB-CD2 4.06Å; L256-L259 HydrophobicContact CD1-CD2 3.65Å; L256-L259 HydrophobicContact CG-CD2 4.48Å; L259-T262 HydrophobicContact CB-CG2 3.91Å | ||
| 260 | R | 98.8 | Very high | 96.8 | Very high | 0 Ų | 0 | 56.6 Ų | 56.6 | 0% | 0 | 31% | 0.309 | C | S | . | . | trans | -92.1 | -40.5 | -166.4 | -52.4 | 168.6 | -176.5 | -81.1 | -0.3 | 112.3 | E17 F136 R137 D138 H139 V140 E242 Y243 K258 | E17-R260 IonicContact OE2-CZ 3.49Å; E17-R260 IonicContact OE2-NH1 3.56Å; E17-R260 IonicContact OE2-NH2 2.82Å; E17-R260 PolarHBondContact OE2-NH2 3.36Å; F136-R260 CarbonylContact C-O 3.59Å; F136-R260 WeakPolarHBondContact CA-O 3.41Å; R137-R260 PolarHBondContact N-O 3.37Å; D138-R260 HydrophobicContact CB-CB 4.42Å; D138-R260 HydrophobicContact CB-CG 4.28Å; D138-R260 PolarHBondContact N-O 2.59Å; H139-R260 WeakPolarHBondContact O-CD 3.48Å; H139-R260 PolarHBondContact O-NH1 3.45Å; V140-R260 HydrophobicContact CG2-CB 3.66Å; E242-R260 HydrophobicContact CB-CG 4.26Å; E242-R260 WeakPolarHBondContact O-CA 3.07Å; E242-R260 VanDerWaalsContact O-CB 3.22Å; E242-R260 WeakPolarHBondContact O-CB 3.46Å; E242-R260 WeakPolarHBondContact O-CG 3.27Å; E242-R260 PolarHBondContact O-N 2.84Å; E242-R260 IonicContact OE2-CZ 3.86Å; E242-R260 IonicContact OE2-NE 3.9Å; E242-R260 PolarHBondContact OE2-NE 3.07Å; E242-R260 VanDerWaalsContact OE2-NE 3.15Å; E242-R260 IonicContact OE2-NH2 2.74Å; E242-R260 PolarHBondContact OE2-NH2 2.69Å; Y243-R260 VanDerWaalsContact CE1-CD 3.46Å; Y243-R260 VanDerWaalsContact CZ-CD 3.45Å; K258-R260 HydrophobicContact CB-CG 4.1Å | ||
| 261 | F | 98.8 | Very high | 96.5 | Very high | 0 Ų | 0 | 54.6 Ų | 54.6 | 0% | 0 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.4 | 118.2 | -178.6 | -178.3 | -119 | 0 | 0 | 0 | 109.1 | F53 V130 M134 E135 F136 F189 Y243 L244 W245 | F53-F261 HydrophobicContact CD2-CE2 4.27Å; F53-F261 AromaticContact CE2-CE2 3.93Å; F53-F261 HydrophobicContact CE2-CE2 3.93Å; F53-F261 AromaticContact CE2-CZ 3.96Å; F53-F261 HydrophobicContact CE2-CZ 3.96Å; V130-F261 HydrophobicContact CB-CE1 4.14Å; V130-F261 HydrophobicContact CB-CZ 4.03Å; V130-F261 HydrophobicContact CG1-CE1 4.25Å; V130-F261 HydrophobicContact CG1-CZ 4.43Å; V130-F261 HydrophobicContact CG2-CZ 4.26Å; M134-F261 HydrophobicContact CB-CD1 4.37Å; M134-F261 HydrophobicContact CB-CD2 4.05Å; M134-F261 HydrophobicContact CB-CE1 3.68Å; M134-F261 HydrophobicContact CB-CE2 3.28Å; M134-F261 HydrophobicContact CB-CZ 3.08Å; M134-F261 HydrophobicContact CE-CD1 3.56Å; M134-F261 HydrophobicContact CE-CE1 3.6Å; M134-F261 HydrophobicContact CE-CG 4.2Å; M134-F261 HydrophobicContact CE-CZ 4.26Å; M134-F261 HydrophobicContact CG-CD1 4.49Å; M134-F261 HydrophobicContact CG-CE1 3.65Å; M134-F261 HydrophobicContact CG-CE2 4.2Å; M134-F261 HydrophobicContact CG-CZ 3.49Å; M134-F261 VanDerWaalsContact CG-CZ 3.49Å; M134-F261 HydrophobicContact SD-CE1 4.46Å; E135-F261 CarbonylContact O-C 3.54Å; E135-F261 WeakPolarHBondContact O-CA 3.38Å; E135-F261 WeakPolarHBondContact O-CD2 3.31Å; F136-F261 HydrophobicContact CD1-CB 4.31Å; F136-F261 AromaticContact CD1-CD2 3.64Å; F136-F261 HydrophobicContact CD1-CD2 3.64Å; F136-F261 HydrophobicContact CD1-CE2 4.31Å; F136-F261 HydrophobicContact CD1-CG 4.32Å; F136-F261 AromaticContact CD2-CD2 3.86Å; F136-F261 HydrophobicContact CD2-CD2 3.86Å; F136-F261 AromaticContact CD2-CE2 3.89Å; F136-F261 HydrophobicContact CD2-CE2 3.89Å; F136-F261 AromaticContact CE1-CD2 3.63Å; F136-F261 HydrophobicContact CE1-CD2 3.63Å; F136-F261 AromaticContact CE1-CE2 3.99Å; F136-F261 HydrophobicContact CE1-CE2 3.99Å; F136-F261 HydrophobicContact CE1-CG 4.23Å; F136-F261 AromaticContact CE2-CD2 3.84Å; F136-F261 HydrophobicContact CE2-CD2 3.84Å; F136-F261 AromaticContact CE2-CE2 3.52Å; F136-F261 HydrophobicContact CE2-CE2 3.52Å; F136-F261 AromaticContact CG-CD2 3.76Å; F136-F261 HydrophobicContact CG-CD2 3.76Å; F136-F261 HydrophobicContact CG-CE2 4.27Å; F136-F261 AromaticContact CZ-CD2 3.73Å; F136-F261 HydrophobicContact CZ-CD2 3.73Å; F136-F261 AromaticContact CZ-CE2 3.57Å; F136-F261 HydrophobicContact CZ-CE2 3.57Å; F136-F261 HydrophobicContact CZ-CZ 4.34Å; F189-F261 AromaticContact CD2-CD1 3.79Å; F189-F261 HydrophobicContact CD2-CD1 3.79Å; F189-F261 HydrophobicContact CD2-CE1 4.15Å; F189-F261 HydrophobicContact CE2-CD1 4.13Å; Y243-F261 WeakPolarHBondContact O-CB 3.37Å; L244-F261 WeakPolarHBondContact CA-O 3.46Å; W245-F261 PolarHBondContact N-O 2.94Å |
| 262 | T | 98.7 | Very high | 96.1 | Very high | 1 Ų | 1 | 56 Ų | 56 | 1% | 0.006 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.7 | 146 | -164.2 | 57.7 | 0 | 0 | 0 | 0 | 113 | M134 E135 R137 W245 L259 | M134-T262 CarbonylContact C-O 3.44Å; M134-T262 VanDerWaalsContact CA-O 3.28Å; M134-T262 WeakPolarHBondContact CA-O 3.42Å; M134-T262 VanDerWaalsContact CE-C 3.49Å; E135-T262 WeakPolarHBondContact CG-OG1 3.36Å; E135-T262 PolarHBondContact N-O 3.3Å; E135-T262 PolarHBondContact O-N 2.91Å; R137-T262 VanDerWaalsContact CD-OG1 3.31Å; R137-T262 WeakPolarHBondContact CD-OG1 3.41Å; R137-T262 PolarHBondContact NE-OG1 2.99Å; R137-T262 VanDerWaalsContact NE-OG1 3.08Å; W245-T262 HydrophobicContact CB-CG2 4.29Å; W245-T262 CarbonylContact O-C 3.47Å; W245-T262 WeakPolarHBondContact O-CA 3.1Å; L259-T262 HydrophobicContact CB-CG2 3.91Å |
| 263 | A | 98.4 | Very high | 95.3 | Very high | 17 Ų | 17 | 52 Ų | 52 | 14% | 0.14 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -61.3 | 135 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.4 | M134 W245 D246 | M134-A263 WeakPolarHBondContact SD-CA 3.49Å; M134-A263 HydrophobicContact SD-CB 3.99Å; W245-A263 PolarHBondContact O-N 3.47Å; D246-A263 HydrophobicContact CB-CB 4.18Å |
| 264 | V | 97.9 | Very high | 94.3 | Very high | 23 Ų | 23 | 58.4 Ų | 58.4 | 14% | 0.139 | 33% | 0.326 | C | S | . | . | P | Polyproline II helix | trans | -85.1 | 128.6 | 169.2 | 178.1 | 0 | 0 | 0 | 0 | 108.3 | F49 L52 D133 E135 K266 | F49-V264 HydrophobicContact CD1-CB 4.36Å; F49-V264 HydrophobicContact CD1-CG1 4.15Å; F49-V264 HydrophobicContact CE1-CB 4.39Å; F49-V264 HydrophobicContact CE1-CG1 4.05Å; L52-V264 HydrophobicContact CD2-CG2 3.81Å; D133-V264 PolarHBondContact O-N 3.12Å; E135-V264 HydrophobicContact CB-CG2 4.12Å; E135-V264 HydrophobicContact CG-CG2 4.24Å; V264-K266 PolarHBondContact O-N 3.48Å |
| 265 | P | 95.4 | Very high | 94.1 | Very high | 87 Ų | 87 | 56.1 Ų | 56.1 | 57% | 0.565 | 30% | 0.299 | S | S | * | . | P | Polyproline II helix | trans | -55.8 | 132.5 | 177.2 | -27.5 | 35.7 | 0 | 0 | 0 | 112 | ||
| 266 | K | 94.8 | Very high | 93.9 | Very high | 58 Ų | 58 | 57.4 Ų | 57.4 | 25% | 0.252 | 31% | 0.305 | S | S | . | . | trans | -150.8 | 149.5 | -176.6 | 58.6 | -179.3 | 173.4 | -92.3 | 0 | 111.2 | F49 D133 V264 H268 | F49-K266 HydrophobicContact CE1-CB 4.46Å; F49-K266 HydrophobicContact CZ-CB 4.04Å; F49-K266 HydrophobicContact CZ-CD 4.33Å; D133-K266 HydrophobicContact CB-CD 4.04Å; D133-K266 VanDerWaalsContact CG-NZ 3.28Å; D133-K266 IonicContact OD1-NZ 3.49Å; D133-K266 WeakPolarHBondContact OD2-CD 3.3Å; D133-K266 WeakPolarHBondContact OD2-CE 3.49Å; D133-K266 IonicContact OD2-NZ 2.88Å; D133-K266 PolarHBondContact OD2-NZ 3.32Å; V264-K266 PolarHBondContact O-N 3.48Å; K266-H268 WeakPolarHBondContact CE-NE2 3.3Å | ||
| 267 | N | 95.4 | Very high | 93.6 | Very high | 104 Ų | 104 | 60.4 Ų | 60.4 | 56% | 0.556 | 32% | 0.321 | S | S | * | . | trans | -90.3 | 108.2 | 167.5 | -177.5 | -47.7 | 0 | 0 | 0 | 109 | Q269 A270 V271 | N267-Q269 VanDerWaalsContact C-N 3.3Å; N267-Q269 PolarHBondContact O-N 3.41Å; N267-Q269 PolarHBondContact OD1-N 2.77Å; N267-A270 HydrophobicContact CB-CB 3.98Å; N267-A270 PolarHBondContact O-N 3.41Å; N267-A270 PolarHBondContact OD1-N 2.86Å; N267-V271 WeakPolarHBondContact O-CG1 3.41Å; N267-V271 PolarHBondContact O-N 3.12Å | ||
| 268 | H | 88.5 | Confident | 93.4 | Very high | 92 Ų | 92 | 55.8 Ų | 55.8 | 43% | 0.426 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -54.9 | -42.1 | -177.4 | -71.5 | 103.5 | 0 | 0 | 0 | 113.2 | K266 R272 | K266-H268 WeakPolarHBondContact CE-NE2 3.3Å; H268-R272 VanDerWaalsContact CD2-CZ 3.4Å; H268-R272 PolarHBondContact CD2-NH2 2.7Å; H268-R272 WeakPolarHBondContact O-CB 3.5Å; H268-R272 WeakPolarHBondContact O-CD 3.48Å; H268-R272 VanDerWaalsContact O-CG 3.24Å; H268-R272 WeakPolarHBondContact O-CG 3.29Å; H268-R272 PolarHBondContact O-N 2.7Å |
| 269 | Q | 89.1 | Confident | 93 | Very high | 138 Ų | 138 | 56.3 Ų | 56.3 | 65% | 0.645 | 32% | 0.315 | S | S | * | . | H | α-helix | trans | -66.8 | -43.2 | -179.4 | -177.7 | 60.3 | 23.6 | 0 | 0 | 111.2 | N267 N273 | N267-Q269 VanDerWaalsContact C-N 3.3Å; N267-Q269 PolarHBondContact O-N 3.41Å; N267-Q269 PolarHBondContact OD1-N 2.77Å; Q269-N273 VanDerWaalsContact CD-ND2 3.34Å; Q269-N273 PolarHBondContact NE2-ND2 3.04Å; Q269-N273 VanDerWaalsContact NE2-ND2 3.13Å; Q269-N273 WeakPolarHBondContact O-CB 3.32Å; Q269-N273 PolarHBondContact O-N 3.04Å; Q269-N273 PolarHBondContact O-ND2 3Å; Q269-N273 PolarHBondContact OE1-ND2 2.99Å |
| 270 | A | 91.9 | Very high | 92.6 | Very high | 54 Ų | 54 | 59.5 Ų | 59.5 | 45% | 0.446 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -72.1 | -37.1 | -176.9 | 0 | 0 | 0 | 0 | 0 | 113.2 | K45 N267 N273 | K45-A270 WeakPolarHBondContact CD-O 3.36Å; K45-A270 PolarHBondContact NZ-O 3.13Å; K45-A270 VanDerWaalsContact NZ-O 3.12Å; N267-A270 HydrophobicContact CB-CB 3.98Å; N267-A270 PolarHBondContact O-N 3.41Å; N267-A270 PolarHBondContact OD1-N 2.86Å; A270-N273 VanDerWaalsContact O-O 3.11Å |
| 271 | V | 91.9 | Very high | 92.2 | Very high | 19 Ų | 19 | 63.7 Ų | 63.7 | 12% | 0.115 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -83 | -28.5 | -176.1 | 76.3 | 0 | 0 | 0 | 0 | 112.9 | K45 Y46 F49 N267 | K45-V271 HydrophobicContact CB-CG2 4.11Å; Y46-V271 HydrophobicContact CD2-CG2 4.16Å; Y46-V271 HydrophobicContact CE2-CG1 4.11Å; Y46-V271 HydrophobicContact CE2-CG2 3.96Å; F49-V271 HydrophobicContact CE2-CG2 3.83Å; F49-V271 HydrophobicContact CZ-CG2 4.13Å; N267-V271 WeakPolarHBondContact O-CG1 3.41Å; N267-V271 PolarHBondContact O-N 3.12Å |
| 272 | R | 90.2 | Very high | 91.7 | Very high | 63 Ų | 63 | 68.6 Ų | 68.6 | 24% | 0.238 | 38% | 0.384 | C | S | . | . | H | α-helix | trans | -85.8 | -16.6 | -178.2 | -69.3 | 172.1 | 170.9 | 171.4 | -1.1 | 113.9 | Y46 W101 H268 | Y46-R272 HydrophobicContact CE2-CG 4.34Å; W101-R272 HydrophobicContact CB-CB 3.97Å; W101-R272 HydrophobicContact CB-CG 3.89Å; W101-R272 HydrophobicContact CG-CB 4.13Å; W101-R272 HydrophobicContact CG-CG 4Å; H268-R272 VanDerWaalsContact CD2-CZ 3.4Å; H268-R272 PolarHBondContact CD2-NH2 2.7Å; H268-R272 WeakPolarHBondContact O-CB 3.5Å; H268-R272 WeakPolarHBondContact O-CD 3.48Å; H268-R272 VanDerWaalsContact O-CG 3.24Å; H268-R272 WeakPolarHBondContact O-CG 3.29Å; H268-R272 PolarHBondContact O-N 2.7Å |
| 273 | N | 82.9 | Confident | 91.1 | Very high | 61 Ų | 61 | 74.3 Ų | 74.3 | 33% | 0.326 | 42% | 0.415 | S | S | . | . | trans | -121.6 | 151.9 | -175.9 | -58.8 | -74.4 | 0 | 0 | 0 | 111.1 | K45 Q269 A270 | K45-N273 VanDerWaalsContact CE-O 3.27Å; K45-N273 WeakPolarHBondContact CE-O 3.39Å; K45-N273 PolarHBondContact NZ-O 3.29Å; Q269-N273 VanDerWaalsContact CD-ND2 3.34Å; Q269-N273 PolarHBondContact NE2-ND2 3.04Å; Q269-N273 VanDerWaalsContact NE2-ND2 3.13Å; Q269-N273 WeakPolarHBondContact O-CB 3.32Å; Q269-N273 PolarHBondContact O-N 3.04Å; Q269-N273 PolarHBondContact O-ND2 3Å; Q269-N273 PolarHBondContact OE1-ND2 2.99Å; A270-N273 VanDerWaalsContact O-O 3.11Å | ||
| 274 | P | 76.7 | Confident | 90.4 | Very high | 175 Ų | 175 | 79.5 Ų | 79.5 | 100% | 1.136 | 44% | 0.44 | S | S | * | . | trans | -52.5 | 0 | 172.5 | -25.3 | 35.4 | 0 | 0 | 0 | 113.4 | K45 | K45-P274 WeakPolarHBondContact CE-OXT 3.3Å; K45-P274 PolarHBondContact NZ-OXT 3.19Å |
Retrieved 274 of 274 residues in 491.7 ms
(Link to these results)