| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 68.4 | Low | 89.2 | Confident | 84 Ų | 84 | 70 Ų | 70 | 41% | 0.414 | 36% | 0.356 | S | S | . | . | 0 | 136.4 | 0 | -174.9 | -179.6 | 72.8 | 0 | 0 | 106.4 | W5 L87 Q88 | M1-W5 HydrophobicContact CE-CB 3.99Å; M1-W5 WeakPolarHBondContact CE-O 3.41Å; M1-W5 HydrophobicContact SD-CB 4.5Å; M1-L87 HydrophobicContact SD-CB 4.35Å; M1-L87 HydrophobicContact SD-CD1 4.13Å; M1-L87 HydrophobicContact SD-CD2 3.76Å; M1-L87 HydrophobicContact SD-CG 4.29Å; M1-Q88 CarbonylContact C-O 3.5Å; M1-Q88 VanDerWaalsContact CA-O 3.31Å; M1-Q88 WeakPolarHBondContact CA-O 3.3Å; M1-Q88 WeakPolarHBondContact CG-O 3.36Å | |||
| 2 | K | 73.2 | Confident | 89.9 | Confident | 86 Ų | 86 | 65.3 Ų | 65.3 | 37% | 0.374 | 34% | 0.338 | S | S | . | . | trans | -62.8 | 140 | 171.5 | -76.2 | 178.4 | 178.3 | -175.4 | 0 | 108.6 | S4 Q88 E90 | K2-S4 PolarHBondContact O-N 3.12Å; K2-S4 PolarHBondContact O-OG 3.1Å; K2-Q88 HydrophobicContact CB-CB 4.06Å; K2-Q88 HydrophobicContact CD-CB 3.96Å; K2-Q88 VanDerWaalsContact CD-OE1 3.3Å; K2-Q88 HydrophobicContact CG-CB 4.31Å; K2-Q88 PolarHBondContact N-O 3.19Å; K2-E90 WeakPolarHBondContact CG-OE1 3.25Å | ||
| 3 | P | 76.5 | Confident | 90.5 | Very high | 91 Ų | 91 | 62.9 Ų | 62.9 | 59% | 0.591 | 33% | 0.326 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73.3 | 34.3 | -168.4 | 31.2 | -37.2 | 0 | 0 | 0 | 114.7 | W5 | P3-W5 VanDerWaalsContact C-N 3.26Å; P3-W5 PolarHBondContact O-N 3.41Å |
| 4 | S | 88.3 | Confident | 91 | Very high | 38 Ų | 38 | 63.1 Ų | 63.1 | 27% | 0.266 | 33% | 0.328 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -77.4 | -9.4 | 175.1 | 54.4 | 0 | 0 | 0 | 0 | 114.1 | K2 K205 D206 | K2-S4 PolarHBondContact O-N 3.12Å; K2-S4 PolarHBondContact O-OG 3.1Å; S4-K205 WeakPolarHBondContact O-CA 3.41Å; S4-K205 WeakPolarHBondContact O-CG 3.48Å; S4-D206 PolarHBondContact O-N 3.12Å |
| 5 | W | 94.2 | Very high | 91.4 | Very high | 14 Ų | 14 | 66.4 Ų | 66.4 | 5% | 0.053 | 35% | 0.354 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.6 | 138.6 | 178 | -67.9 | 82.6 | 0 | 0 | 0 | 109.2 | M1 P3 P24 C26 H86 L87 L203 S204 K205 | M1-W5 HydrophobicContact CE-CB 3.99Å; M1-W5 WeakPolarHBondContact CE-O 3.41Å; M1-W5 HydrophobicContact SD-CB 4.5Å; P3-W5 VanDerWaalsContact C-N 3.26Å; P3-W5 PolarHBondContact O-N 3.41Å; W5-P24 HydrophobicContact CH2-CB 4.47Å; W5-P24 HydrophobicContact CH2-CG 3.88Å; W5-P24 WeakPolarHBondContact CZ3-O 3.35Å; W5-C26 HydrophobicContact CE3-CB 4.35Å; W5-C26 HydrophobicContact CH2-CB 3.82Å; W5-C26 HydrophobicContact CZ3-CB 3.63Å; W5-C26 WeakPolarHBondContact CZ3-SG 3.41Å; W5-H86 HydrophobicContact CZ2-CB 3.74Å; W5-H86 PolarHBondContact NE1-O 2.63Å; W5-L87 HydrophobicContact CB-CD2 3.85Å; W5-L87 HydrophobicContact CD2-CD2 3.89Å; W5-L87 HydrophobicContact CG-CD2 3.41Å; W5-L87 VanDerWaalsContact CG-CD2 3.41Å; W5-L203 HydrophobicContact CB-CD1 3.89Å; W5-L203 HydrophobicContact CB-CG 4.41Å; W5-L203 HydrophobicContact CE3-CG 4.27Å; W5-S204 CarbonylContact C-O 3.25Å; W5-S204 VanDerWaalsContact CA-O 3.26Å; W5-S204 WeakPolarHBondContact CA-O 3.43Å; W5-K205 HydrophobicContact CD2-CB 4.13Å; W5-K205 HydrophobicContact CD2-CG 4.41Å; W5-K205 HydrophobicContact CE3-CB 4.06Å; W5-K205 HydrophobicContact CH2-CB 3.97Å; W5-K205 HydrophobicContact CZ2-CB 4.03Å; W5-K205 HydrophobicContact CZ2-CD 4.36Å; W5-K205 HydrophobicContact CZ2-CG 4.22Å; W5-K205 HydrophobicContact CZ3-CB 3.97Å |
| 6 | Q | 94.7 | Very high | 91.8 | Very high | 96 Ų | 96 | 71.7 Ų | 71.7 | 45% | 0.449 | 38% | 0.376 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.5 | 149.2 | -177.5 | -59.5 | -169.1 | 4.3 | 0 | 0 | 110.7 | S204 D206 | Q6-S204 PolarHBondContact N-O 3.1Å; Q6-S204 PolarHBondContact O-N 3.14Å; Q6-S204 PolarHBondContact O-OG 3.01Å; Q6-D206 PolarHBondContact NE2-OD2 3.34Å |
| 7 | F | 96 | Very high | 92.2 | Very high | 70 Ų | 70 | 70.8 Ų | 70.8 | 31% | 0.307 | 37% | 0.372 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.9 | 130.1 | 169.3 | -79.7 | -78.2 | 0 | 0 | 0 | 109.5 | L29 L76 A79 I201 A202 L203 | F7-L29 HydrophobicContact CE1-CD1 3.95Å; F7-L29 HydrophobicContact CE1-CD2 4.3Å; F7-L29 HydrophobicContact CZ-CD1 4.1Å; F7-L29 HydrophobicContact CZ-CD2 4.3Å; F7-L76 HydrophobicContact CD2-CD2 4.07Å; F7-L76 HydrophobicContact CE2-CD2 3.28Å; F7-L76 HydrophobicContact CZ-CD2 3.64Å; F7-A79 HydrophobicContact CZ-CB 4.36Å; F7-I201 HydrophobicContact CB-CD1 4.4Å; F7-I201 HydrophobicContact CD1-CB 4.12Å; F7-I201 HydrophobicContact CD1-CD1 3.73Å; F7-I201 HydrophobicContact CD1-CG1 3.7Å; F7-I201 HydrophobicContact CE1-CD1 4.21Å; F7-I201 HydrophobicContact CE1-CG1 4.15Å; F7-I201 HydrophobicContact CG-CD1 4.12Å; F7-I201 HydrophobicContact CG-CG1 4.49Å; F7-A202 WeakPolarHBondContact CA-O 3.21Å; F7-L203 HydrophobicContact CD1-CB 4.06Å; F7-L203 HydrophobicContact CD2-CD1 4.01Å; F7-L203 HydrophobicContact CE1-CB 3.64Å; F7-L203 HydrophobicContact CE2-CB 4.39Å; F7-L203 HydrophobicContact CE2-CD1 3.92Å; F7-L203 HydrophobicContact CE2-CD2 4.45Å; F7-L203 HydrophobicContact CE2-CG 4.49Å; F7-L203 HydrophobicContact CG-CD1 4.38Å; F7-L203 HydrophobicContact CZ-CB 3.83Å; F7-L203 HydrophobicContact CZ-CD1 4.22Å; F7-L203 HydrophobicContact CZ-CD2 4.23Å; F7-L203 HydrophobicContact CZ-CG 4.32Å |
| 8 | G | 96.6 | Very high | 92.5 | Very high | 25 Ų | 25 | 67.4 Ų | 67.4 | 26% | 0.258 | 35% | 0.354 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124 | 155.4 | 170.6 | 0 | 0 | 0 | 0 | 0 | 111.3 | I201 A202 | G8-I201 CarbonylContact O-C 3.56Å; G8-I201 VanDerWaalsContact O-CA 3.29Å; G8-I201 WeakPolarHBondContact O-CA 3.39Å; G8-A202 PolarHBondContact N-O 2.92Å; G8-A202 PolarHBondContact O-N 2.98Å |
| 9 | D | 97.9 | Very high | 92.7 | Very high | 86 Ų | 86 | 68.2 Ų | 68.2 | 46% | 0.46 | 37% | 0.365 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.4 | 143 | 176.8 | -67.4 | -47.8 | 0 | 0 | 0 | 111.7 | Y11 | D9-Y11 HydrophobicContact CB-CD1 4.29Å; D9-Y11 HydrophobicContact CB-CE1 3.79Å |
| 10 | V | 98.2 | Very high | 92.9 | Very high | 17 Ų | 17 | 70.1 Ų | 70.1 | 10% | 0.103 | 38% | 0.375 | C | S | . | . | trans | -102.1 | 102.2 | 166.6 | -178.9 | 0 | 0 | 0 | 0 | 108.1 | G12 L13 L18 V21 L178 I200 A202 | V10-G12 VanDerWaalsContact C-N 3.3Å; V10-G12 WeakPolarHBondContact CG1-O 3.35Å; V10-G12 PolarHBondContact O-N 3.16Å; V10-L13 HydrophobicContact CG1-CD2 4.43Å; V10-L18 HydrophobicContact CG1-CD2 3.66Å; V10-V21 HydrophobicContact CG2-CG2 3.99Å; V10-L178 HydrophobicContact CG2-CD1 4.36Å; V10-I200 HydrophobicContact CB-CB 3.97Å; V10-I200 HydrophobicContact CB-CG2 3.86Å; V10-I200 HydrophobicContact CG1-CG2 4.4Å; V10-I200 HydrophobicContact CG2-CB 4.35Å; V10-I200 HydrophobicContact CG2-CG2 3.72Å; V10-I200 PolarHBondContact N-O 3.03Å; V10-A202 HydrophobicContact CG2-CB 3.89Å | ||
| 11 | Y | 97.4 | Very high | 93.1 | Very high | 163 Ų | 163 | 67 Ų | 67 | 64% | 0.639 | 36% | 0.359 | S | S | * | . | trans | -71.1 | -21.5 | -172.3 | -63.9 | -61.7 | 0 | 0 | 0 | 114.6 | D9 L20 | D9-Y11 HydrophobicContact CB-CD1 4.29Å; D9-Y11 HydrophobicContact CB-CE1 3.79Å; Y11-L20 HydrophobicContact CD2-CD1 4.21Å | ||
| 12 | G | 97.4 | Very high | 94.4 | Very high | 14 Ų | 14 | 65.7 Ų | 65.7 | 14% | 0.144 | 36% | 0.356 | C | S | . | . | trans | -172.6 | 173.4 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | V10 L18 | V10-G12 VanDerWaalsContact C-N 3.3Å; V10-G12 WeakPolarHBondContact CG1-O 3.35Å; V10-G12 PolarHBondContact O-N 3.16Å; G12-L18 VanDerWaalsContact O-CD2 3.28Å; G12-L18 WeakPolarHBondContact O-CD2 3.44Å | ||
| 13 | L | 98.1 | Very high | 95.5 | Very high | 34 Ų | 34 | 66.2 Ų | 66.2 | 18% | 0.178 | 36% | 0.356 | C | S | . | . | S | Bend | trans | -109.9 | 3.3 | -166.7 | -48.8 | -171.8 | 0 | 0 | 0 | 113.9 | V10 V182 K186 M189 I200 | V10-L13 HydrophobicContact CG1-CD2 4.43Å; L13-V182 HydrophobicContact CB-CG1 3.67Å; L13-V182 HydrophobicContact CD1-CG1 4.32Å; L13-V182 HydrophobicContact CD2-CG1 3.86Å; L13-V182 HydrophobicContact CD2-CG2 4.26Å; L13-V182 HydrophobicContact CG-CG1 4.14Å; L13-K186 HydrophobicContact CD1-CG 3.66Å; L13-K186 WeakPolarHBondContact O-CE 3.13Å; L13-K186 PolarHBondContact O-NZ 2.86Å; L13-K186 VanDerWaalsContact O-NZ 3.09Å; L13-M189 HydrophobicContact CD1-CE 3.83Å; L13-M189 HydrophobicContact CD1-SD 3.61Å; L13-I200 HydrophobicContact CD2-CD1 3.57Å |
| 14 | D | 97.4 | Very high | 96.4 | Very high | 66 Ų | 66 | 64.4 Ų | 64.4 | 35% | 0.353 | 34% | 0.344 | S | S | . | . | S | Bend | trans | -85.9 | 157.6 | 171.3 | 62.8 | 89.4 | 0 | 0 | 0 | 110.8 | E16 L17 L18 | D14-E16 PolarHBondContact O-N 2.97Å; D14-E16 VanDerWaalsContact O-N 3.15Å; D14-E16 WeakPolarHBondContact OD1-CB 3.32Å; D14-E16 PolarHBondContact OD1-N 3.48Å; D14-L17 PolarHBondContact O-N 3.42Å; D14-L17 PolarHBondContact OD1-N 3.41Å; D14-L17 VanDerWaalsContact OD1-N 3.08Å; D14-L17 WeakPolarHBondContact OD2-CD1 3.14Å; D14-L18 WeakPolarHBondContact O-CG 3.23Å; D14-L18 PolarHBondContact O-N 2.92Å |
| 15 | P | 97.3 | Very high | 96.8 | Very high | 112 Ų | 112 | 62.9 Ų | 62.9 | 73% | 0.727 | 33% | 0.333 | S | S | * | . | H | α-helix | trans | -58.3 | -30.6 | -174.8 | -26.8 | 35.8 | 0 | 0 | 0 | 114.8 | S19 | P15-S19 WeakPolarHBondContact O-CB 2.93Å; P15-S19 PolarHBondContact O-N 3.47Å; P15-S19 VanDerWaalsContact O-N 3.12Å |
| 16 | E | 97.6 | Very high | 97 | Very high | 151 Ų | 151 | 62.5 Ų | 62.5 | 71% | 0.706 | 33% | 0.333 | S | S | * | . | H | α-helix | trans | -68.3 | -49.3 | -179.7 | -176.6 | 177.8 | -174.8 | 0 | 0 | 110 | D14 S19 | D14-E16 PolarHBondContact O-N 2.97Å; D14-E16 VanDerWaalsContact O-N 3.15Å; D14-E16 WeakPolarHBondContact OD1-CB 3.32Å; D14-E16 PolarHBondContact OD1-N 3.48Å; E16-S19 WeakPolarHBondContact O-CB 3.47Å; E16-S19 PolarHBondContact O-N 2.92Å; E16-S19 PolarHBondContact O-OG 3.47Å |
| 17 | L | 97.9 | Very high | 97.2 | Very high | 57 Ų | 57 | 58 Ų | 58 | 30% | 0.298 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -70.9 | -33.6 | 178.3 | -65.9 | -177.9 | 0 | 0 | 0 | 113.2 | D14 S19 L20 | D14-L17 PolarHBondContact O-N 3.42Å; D14-L17 PolarHBondContact OD1-N 3.41Å; D14-L17 VanDerWaalsContact OD1-N 3.08Å; D14-L17 WeakPolarHBondContact OD2-CD1 3.14Å; L17-S19 PolarHBondContact O-N 3.29Å; L17-L20 HydrophobicContact CD2-CD1 3.9Å; L17-L20 WeakPolarHBondContact O-CB 3.43Å; L17-L20 PolarHBondContact O-N 3.31Å |
| 18 | L | 97.9 | Very high | 97.3 | Very high | 9 Ų | 9 | 54.6 Ų | 54.6 | 5% | 0.047 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -66.1 | -25.7 | 173.4 | -66.9 | -179 | 0 | 0 | 0 | 112.9 | V10 G12 D14 L20 V21 L178 V182 | V10-L18 HydrophobicContact CG1-CD2 3.66Å; G12-L18 VanDerWaalsContact O-CD2 3.28Å; G12-L18 WeakPolarHBondContact O-CD2 3.44Å; D14-L18 WeakPolarHBondContact O-CG 3.23Å; D14-L18 PolarHBondContact O-N 2.92Å; L18-L20 PolarHBondContact O-N 3.35Å; L18-V21 PolarHBondContact O-N 3Å; L18-L178 HydrophobicContact CB-CD2 4.46Å; L18-L178 HydrophobicContact CD2-CD1 4.45Å; L18-L178 HydrophobicContact CD2-CD2 4.28Å; L18-L178 HydrophobicContact CD2-CG 4.27Å; L18-V182 HydrophobicContact CD1-CB 4.48Å; L18-V182 HydrophobicContact CD1-CG1 4.21Å; L18-V182 HydrophobicContact CD1-CG2 4.43Å; L18-V182 HydrophobicContact CD2-CG2 3.83Å |
| 19 | S | 96.4 | Very high | 97.4 | Very high | 82 Ų | 82 | 53.6 Ų | 53.6 | 57% | 0.573 | 29% | 0.285 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69 | -16.4 | 176.6 | 79.8 | 0 | 0 | 0 | 0 | 113.6 | P15 E16 L17 V21 | P15-S19 WeakPolarHBondContact O-CB 2.93Å; P15-S19 PolarHBondContact O-N 3.47Å; P15-S19 VanDerWaalsContact O-N 3.12Å; E16-S19 WeakPolarHBondContact O-CB 3.47Å; E16-S19 PolarHBondContact O-N 2.92Å; E16-S19 PolarHBondContact O-OG 3.47Å; L17-S19 PolarHBondContact O-N 3.29Å; S19-V21 VanDerWaalsContact C-N 3.32Å |
| 20 | L | 96.6 | Very high | 97.5 | Very high | 107 Ų | 107 | 49.5 Ų | 49.5 | 56% | 0.56 | 26% | 0.263 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77.4 | -17.9 | 176.8 | -57.7 | 177.9 | 0 | 0 | 0 | 112.9 | Y11 L17 L18 | Y11-L20 HydrophobicContact CD2-CD1 4.21Å; L17-L20 HydrophobicContact CD2-CD1 3.9Å; L17-L20 WeakPolarHBondContact O-CB 3.43Å; L17-L20 PolarHBondContact O-N 3.31Å; L18-L20 PolarHBondContact O-N 3.35Å |
| 21 | V | 96.9 | Very high | 97.5 | Very high | 6 Ų | 6 | 50 Ų | 50 | 4% | 0.036 | 27% | 0.265 | C | S | . | . | S | Bend | trans | -76.4 | 124.8 | 179.9 | -175.5 | 0 | 0 | 0 | 0 | 109.2 | V10 L18 S19 V25 L178 A202 | V10-V21 HydrophobicContact CG2-CG2 3.99Å; L18-V21 PolarHBondContact O-N 3Å; S19-V21 VanDerWaalsContact C-N 3.32Å; V21-V25 HydrophobicContact CG1-CG2 3.9Å; V21-L178 HydrophobicContact CB-CD2 3.76Å; V21-L178 HydrophobicContact CG1-CD2 3.95Å; V21-L178 HydrophobicContact CG2-CD2 3.98Å; V21-A202 HydrophobicContact CG1-CB 3.72Å |
| 22 | P | 96.2 | Very high | 97.5 | Very high | 55 Ų | 55 | 42.3 Ų | 42.3 | 36% | 0.357 | 24% | 0.235 | S | C | . | . | trans | -57.6 | 150.8 | 176.6 | -23.3 | 33.4 | 0 | 0 | 0 | 112.3 | V25 S204 | P22-V25 WeakPolarHBondContact O-CG2 3.5Å; P22-S204 WeakPolarHBondContact O-CB 3.42Å | ||
| 23 | R | 95.1 | Very high | 97.4 | Very high | 97 Ų | 97 | 42 Ų | 42 | 37% | 0.366 | 23% | 0.23 | S | C | . | . | S | Bend | trans | -125.7 | 153.4 | -178.2 | -69.1 | -162.9 | -169.5 | -110.3 | -8.4 | 112.5 | D175 E179 | R23-D175 PolarHBondContact NH1-O 3.35Å; R23-D175 VanDerWaalsContact NH1-O 3.14Å; R23-E179 IonicContact CZ-OE1 2.75Å; R23-E179 VanDerWaalsContact CZ-OE1 3.28Å; R23-E179 IonicContact CZ-OE2 2.74Å; R23-E179 IonicContact NH1-OE1 2.59Å; R23-E179 PolarHBondContact NH1-OE1 3.08Å; R23-E179 IonicContact NH1-OE2 3.77Å; R23-E179 PolarHBondContact NH1-OE2 3.44Å; R23-E179 IonicContact NH2-OE1 2.71Å; R23-E179 PolarHBondContact NH2-OE1 3.29Å; R23-E179 IonicContact NH2-OE2 3.58Å |
| 24 | P | 95.9 | Very high | 97.3 | Very high | 53 Ų | 53 | 41.8 Ų | 41.8 | 34% | 0.344 | 23% | 0.231 | S | C | . | . | cis | -71.5 | 160.2 | -2.7 | 29.3 | -37.1 | 0 | 0 | 0 | 113.8 | W5 S204 K205 | W5-P24 HydrophobicContact CH2-CB 4.47Å; W5-P24 HydrophobicContact CH2-CG 3.88Å; W5-P24 WeakPolarHBondContact CZ3-O 3.35Å; P24-S204 WeakPolarHBondContact O-CA 3.2Å; P24-K205 HydrophobicContact CG-CB 4.1Å; P24-K205 HydrophobicContact CG-CD 4.38Å; P24-K205 PolarHBondContact O-N 3.08Å | ||
| 25 | V | 97.6 | Very high | 97.2 | Very high | 6 Ų | 6 | 40 Ų | 40 | 4% | 0.036 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.4 | 132.1 | 172.3 | 174.7 | 0 | 0 | 0 | 0 | 108.4 | V21 P22 A27 V28 L178 A202 L203 | V21-V25 HydrophobicContact CG1-CG2 3.9Å; P22-V25 WeakPolarHBondContact O-CG2 3.5Å; V25-A27 WeakPolarHBondContact CG1-O 3.26Å; V25-V28 HydrophobicContact CG1-CG2 4.04Å; V25-L178 HydrophobicContact CB-CB 4.35Å; V25-L178 HydrophobicContact CG1-CB 4.45Å; V25-L178 HydrophobicContact CG2-CB 4.31Å; V25-L178 HydrophobicContact CG2-CD2 4.31Å; V25-A202 HydrophobicContact CG1-CB 4.08Å; V25-A202 HydrophobicContact CG2-CB 4.38Å; V25-L203 WeakPolarHBondContact CA-O 3.45Å |
| 26 | C | 97.6 | Very high | 97.1 | Very high | 7 Ų | 7 | 43.2 Ų | 43.2 | 5% | 0.047 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.2 | -13.7 | -179.8 | 70.7 | 0 | 0 | 0 | 0 | 114.3 | W5 N83 L177 L203 | W5-C26 HydrophobicContact CE3-CB 4.35Å; W5-C26 HydrophobicContact CH2-CB 3.82Å; W5-C26 HydrophobicContact CZ3-CB 3.63Å; W5-C26 WeakPolarHBondContact CZ3-SG 3.41Å; C26-N83 HydrophobicContact CB-CB 4.31Å; C26-N83 WeakPolarHBondContact CB-OD1 3.18Å; C26-N83 PolarHBondContact O-ND2 2.98Å; C26-N83 PolarHBondContact O-OD1 3.08Å; C26-L177 VanDerWaalsContact O-CD2 3.3Å; C26-L177 WeakPolarHBondContact O-CD2 3.05Å; C26-L203 PolarHBondContact N-O 3Å |
| 27 | A | 98.6 | Very high | 97 | Very high | 0 Ų | 0 | 40.8 Ų | 40.8 | 0% | 0 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -153.8 | 152.5 | 171.5 | 0 | 0 | 0 | 0 | 0 | 111.3 | V25 A79 F149 V150 L203 | V25-A27 WeakPolarHBondContact CG1-O 3.26Å; A27-A79 HydrophobicContact CB-CB 3.52Å; A27-F149 WeakPolarHBondContact CA-O 3.34Å; A27-V150 HydrophobicContact CB-CG1 4.05Å; A27-L203 HydrophobicContact CB-CB 4.08Å; A27-L203 HydrophobicContact CB-CD2 4.45Å; A27-L203 PolarHBondContact O-N 3.48Å |
| 28 | V | 98.8 | Very high | 96.9 | Very high | 0 Ų | 0 | 38.3 Ų | 38.3 | 0% | 0 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.6 | 130.2 | 171.7 | 179.2 | 0 | 0 | 0 | 0 | 108.4 | V25 A148 F149 L178 A181 I200 | V25-V28 HydrophobicContact CG1-CG2 4.04Å; V28-A148 CarbonylContact O-C 3.57Å; V28-A148 WeakPolarHBondContact O-CA 3.41Å; V28-F149 HydrophobicContact CB-CB 4.31Å; V28-F149 PolarHBondContact N-O 2.81Å; V28-F149 PolarHBondContact O-N 3.29Å; V28-L178 HydrophobicContact CG2-CD1 3.9Å; V28-A181 HydrophobicContact CB-CB 4.04Å; V28-A181 HydrophobicContact CG1-CB 4.44Å; V28-A181 HydrophobicContact CG2-CB 3.97Å; V28-I200 HydrophobicContact CG1-CG2 3.43Å; V28-I200 VanDerWaalsContact CG1-CG2 3.43Å |
| 29 | L | 98.8 | Very high | 96.8 | Very high | 3 Ų | 3 | 39.8 Ų | 39.8 | 2% | 0.016 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.8 | 132.2 | 173.4 | -93.4 | 62 | 0 | 0 | 0 | 109.3 | F7 L76 A79 F146 I147 A148 I200 I201 | F7-L29 HydrophobicContact CE1-CD1 3.95Å; F7-L29 HydrophobicContact CE1-CD2 4.3Å; F7-L29 HydrophobicContact CZ-CD1 4.1Å; F7-L29 HydrophobicContact CZ-CD2 4.3Å; L29-L76 HydrophobicContact CD2-CD2 4.11Å; L29-L76 HydrophobicContact CD2-CG 4.44Å; L29-A79 HydrophobicContact CD1-CB 3.9Å; L29-F146 HydrophobicContact CB-CD1 4.47Å; L29-I147 VanDerWaalsContact CA-O 3.32Å; L29-I147 WeakPolarHBondContact CA-O 3.48Å; L29-A148 HydrophobicContact CD1-CB 3.87Å; L29-A148 HydrophobicContact CG-CB 4.42Å; L29-I200 WeakPolarHBondContact O-CA 3.49Å; L29-I201 HydrophobicContact CB-CD1 4.18Å; L29-I201 HydrophobicContact CB-CG1 3.66Å; L29-I201 HydrophobicContact CD2-CD1 4.27Å; L29-I201 PolarHBondContact N-O 3.39Å; L29-I201 PolarHBondContact O-N 3.17Å |
| 30 | L | 98.8 | Very high | 96.7 | Very high | 0 Ų | 0 | 38 Ų | 38 | 0% | 0 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112 | 124.4 | 173.8 | 173.6 | 69.4 | 0 | 0 | 0 | 109.1 | F32 F146 I147 F149 C185 F188 F198 T199 I200 | L30-F32 HydrophobicContact CD2-CB 4.34Å; L30-F32 HydrophobicContact CD2-CD1 4.03Å; L30-F32 HydrophobicContact CD2-CG 4.45Å; L30-F32 HydrophobicContact CG-CB 4.24Å; L30-F32 HydrophobicContact CG-CD1 4.09Å; L30-F146 WeakPolarHBondContact O-CA 3.36Å; L30-I147 HydrophobicContact CB-CG1 3.98Å; L30-I147 HydrophobicContact CD2-CD1 4.14Å; L30-I147 HydrophobicContact CD2-CG1 4.44Å; L30-I147 PolarHBondContact N-O 3.28Å; L30-I147 PolarHBondContact O-N 2.88Å; L30-F149 HydrophobicContact CB-CE2 3.89Å; L30-F149 HydrophobicContact CD2-CE2 4.27Å; L30-C185 HydrophobicContact CD1-CB 4.48Å; L30-F188 HydrophobicContact CD2-CB 4.13Å; L30-F188 HydrophobicContact CD2-CD1 4.05Å; L30-F188 HydrophobicContact CD2-CD2 4.43Å; L30-F188 HydrophobicContact CD2-CG 3.97Å; L30-F198 HydrophobicContact CD1-CD1 4.31Å; L30-T199 WeakPolarHBondContact CA-O 3.25Å; L30-I200 HydrophobicContact CD1-CD1 4.19Å; L30-I200 HydrophobicContact CD1-CG1 3.62Å |
| 31 | L | 98.4 | Very high | 96.7 | Very high | 27 Ų | 27 | 35.7 Ų | 35.7 | 14% | 0.141 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.4 | 127.3 | 161 | -174 | 61.1 | 0 | 0 | 0 | 108.4 | L144 H145 F146 F198 T199 | L31-L144 HydrophobicContact CD1-CB 3.75Å; L31-L144 HydrophobicContact CD2-CD1 4.2Å; L31-L144 HydrophobicContact CG-CB 4.24Å; L31-H145 WeakPolarHBondContact CA-O 3.35Å; L31-F146 HydrophobicContact CB-CD1 3.94Å; L31-F146 HydrophobicContact CB-CE1 3.62Å; L31-F146 HydrophobicContact CB-CZ 3.94Å; L31-F146 HydrophobicContact CD1-CD1 4.18Å; L31-F146 HydrophobicContact CD1-CD2 3.65Å; L31-F146 HydrophobicContact CD1-CE1 4.17Å; L31-F146 HydrophobicContact CD1-CE2 3.62Å; L31-F146 HydrophobicContact CD1-CG 3.94Å; L31-F146 HydrophobicContact CD1-CZ 3.88Å; L31-F146 HydrophobicContact CD2-CE1 4.49Å; L31-F146 HydrophobicContact CD2-CE2 4.26Å; L31-F146 HydrophobicContact CD2-CZ 3.95Å; L31-F146 HydrophobicContact CG-CE1 4.3Å; L31-F146 HydrophobicContact CG-CE2 4.35Å; L31-F146 HydrophobicContact CG-CZ 4.14Å; L31-F198 VanDerWaalsContact O-CA 3.3Å; L31-F198 WeakPolarHBondContact O-CA 3.36Å; L31-T199 PolarHBondContact N-O 2.87Å; L31-T199 PolarHBondContact O-N 3.34Å |
| 32 | F | 97.9 | Very high | 96.6 | Very high | 3 Ų | 3 | 36.4 Ų | 36.4 | 1% | 0.013 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -145.2 | 161.2 | 177.2 | 71 | -83.2 | 0 | 0 | 0 | 111 | L30 Y38 L144 H145 I147 F188 F198 | L30-F32 HydrophobicContact CD2-CB 4.34Å; L30-F32 HydrophobicContact CD2-CD1 4.03Å; L30-F32 HydrophobicContact CD2-CG 4.45Å; L30-F32 HydrophobicContact CG-CB 4.24Å; L30-F32 HydrophobicContact CG-CD1 4.09Å; F32-Y38 HydrophobicContact CD2-CD2 4.35Å; F32-Y38 AromaticContact CE2-CD1 3.8Å; F32-Y38 HydrophobicContact CE2-CD1 3.8Å; F32-Y38 AromaticContact CE2-CD2 3.55Å; F32-Y38 HydrophobicContact CE2-CD2 3.55Å; F32-Y38 AromaticContact CE2-CE1 3.67Å; F32-Y38 HydrophobicContact CE2-CE1 3.67Å; F32-Y38 AromaticContact CE2-CE2 3.43Å; F32-Y38 HydrophobicContact CE2-CE2 3.43Å; F32-Y38 VanDerWaalsContact CE2-CE2 3.43Å; F32-Y38 AromaticContact CE2-CG 3.74Å; F32-Y38 HydrophobicContact CE2-CG 3.74Å; F32-Y38 AromaticContact CE2-CZ 3.48Å; F32-Y38 VanDerWaalsContact CE2-CZ 3.48Å; F32-Y38 HydrophobicContact CZ-CD1 4.47Å; F32-Y38 HydrophobicContact CZ-CD2 4.23Å; F32-Y38 AromaticContact CZ-CE1 3.87Å; F32-Y38 HydrophobicContact CZ-CE1 3.87Å; F32-Y38 AromaticContact CZ-CE2 3.63Å; F32-Y38 HydrophobicContact CZ-CE2 3.63Å; F32-Y38 AromaticContact CZ-CZ 3.4Å; F32-Y38 VanDerWaalsContact CZ-CZ 3.4Å; F32-L144 CarbonylContact O-C 3.56Å; F32-L144 WeakPolarHBondContact O-CA 3.29Å; F32-H145 WeakPolarHBondContact CD1-O 3.23Å; F32-H145 HydrophobicContact CE1-CB 4.4Å; F32-H145 AromaticContact CE1-CD2 3.9Å; F32-H145 HydrophobicContact CZ-CB 4.37Å; F32-H145 AromaticContact CZ-CD2 3.84Å; F32-H145 PolarHBondContact N-O 3.49Å; F32-H145 PolarHBondContact O-N 3.34Å; F32-I147 HydrophobicContact CD1-CD1 4.29Å; F32-I147 HydrophobicContact CD1-CG1 4.31Å; F32-I147 HydrophobicContact CE1-CB 4.45Å; F32-I147 HydrophobicContact CE1-CD1 3.79Å; F32-I147 HydrophobicContact CE1-CG1 3.93Å; F32-I147 HydrophobicContact CE1-CG2 3.77Å; F32-I147 HydrophobicContact CZ-CG2 4.45Å; F32-F188 HydrophobicContact CD1-CD1 4.22Å; F32-F188 HydrophobicContact CD1-CE1 4.22Å; F32-F188 HydrophobicContact CD2-CD1 4.02Å; F32-F188 HydrophobicContact CD2-CE1 4.3Å; F32-F188 HydrophobicContact CE1-CD1 4.33Å; F32-F188 AromaticContact CE1-CE1 3.89Å; F32-F188 HydrophobicContact CE1-CE1 3.89Å; F32-F188 HydrophobicContact CE2-CD1 4.17Å; F32-F188 AromaticContact CE2-CE1 4Å; F32-F188 HydrophobicContact CE2-CE1 4Å; F32-F188 HydrophobicContact CG-CD1 4.07Å; F32-F188 HydrophobicContact CG-CE1 4.42Å; F32-F188 HydrophobicContact CZ-CD1 4.31Å; F32-F188 AromaticContact CZ-CE1 3.77Å; F32-F188 HydrophobicContact CZ-CE1 3.77Å; F32-F198 HydrophobicContact CB-CD1 3.53Å; F32-F198 HydrophobicContact CB-CE1 3.58Å |
| 33 | P | 96.3 | Very high | 96.5 | Very high | 6 Ų | 6 | 39.1 Ų | 39.1 | 4% | 0.039 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.4 | 136.4 | 179 | 30 | -26.1 | 0 | 0 | 0 | 112 | T35 N143 L144 E195 R197 | P33-T35 HydrophobicContact CB-CG2 4.14Å; P33-T35 HydrophobicContact CG-CG2 4.26Å; P33-T35 PolarHBondContact O-N 3.18Å; P33-T35 VanDerWaalsContact O-N 3.12Å; P33-N143 CarbonylContact C-O 3.56Å; P33-N143 VanDerWaalsContact CA-O 3.26Å; P33-N143 WeakPolarHBondContact CA-O 3.45Å; P33-L144 HydrophobicContact CB-CD2 3.73Å; P33-E195 HydrophobicContact CB-CG 4.35Å; P33-E195 VanDerWaalsContact CG-CD 3.48Å; P33-E195 HydrophobicContact CG-CG 3.16Å; P33-R197 WeakPolarHBondContact CD-O 3.45Å |
| 34 | V | 95.7 | Very high | 96.5 | Very high | 31 Ų | 31 | 40.8 Ų | 40.8 | 19% | 0.188 | 21% | 0.206 | C | C | . | . | trans | -82.3 | 84.9 | 173.5 | -177.6 | 0 | 0 | 0 | 0 | 108.4 | Y38 E39 N143 H145 R162 | V34-Y38 HydrophobicContact CB-CD1 4.45Å; V34-Y38 HydrophobicContact CG1-CD1 4.03Å; V34-Y38 HydrophobicContact CG1-CE1 4.46Å; V34-E39 HydrophobicContact CG1-CG 3.91Å; V34-E39 WeakPolarHBondContact CG1-OE1 3.46Å; V34-N143 PolarHBondContact N-O 3.2Å; V34-H145 HydrophobicContact CG2-CB 3.49Å; V34-H145 VanDerWaalsContact CG2-CB 3.49Å; V34-R162 VanDerWaalsContact CG1-NH1 3.28Å; V34-R162 VanDerWaalsContact CG2-NH1 3.35Å | ||
| 35 | T | 95.1 | Very high | 96.4 | Very high | 28 Ų | 28 | 38.9 Ų | 38.9 | 17% | 0.172 | 19% | 0.193 | C | C | . | . | trans | -91.1 | 167.2 | 175.9 | 72.9 | 0 | 0 | 0 | 0 | 111.6 | P33 K37 Y38 E39 D192 | P33-T35 HydrophobicContact CB-CG2 4.14Å; P33-T35 HydrophobicContact CG-CG2 4.26Å; P33-T35 PolarHBondContact O-N 3.18Å; P33-T35 VanDerWaalsContact O-N 3.12Å; T35-K37 PolarHBondContact O-N 3.14Å; T35-Y38 WeakPolarHBondContact O-CB 3.33Å; T35-Y38 PolarHBondContact O-N 3.14Å; T35-Y38 VanDerWaalsContact O-N 3.1Å; T35-Y38 PolarHBondContact OG1-N 3.46Å; T35-E39 PolarHBondContact O-N 2.83Å; T35-D192 WeakPolarHBondContact CG2-OD2 3.22Å; T35-D192 PolarHBondContact OG1-OD2 3.33Å | ||
| 36 | E | 95 | Very high | 96 | Very high | 179 Ų | 179 | 40.1 Ų | 40.1 | 84% | 0.836 | 20% | 0.198 | S | C | * | . | H | α-helix | trans | -58.3 | -36.3 | 174.2 | -66 | -177.9 | 172.2 | 0 | 0 | 112.1 | Y38 E39 A40 | E36-Y38 VanDerWaalsContact C-N 3.35Å; E36-E39 PolarHBondContact O-N 2.98Å; E36-A40 WeakPolarHBondContact O-CB 3.46Å; E36-A40 PolarHBondContact O-N 3.38Å |
| 37 | K | 95.1 | Very high | 95.7 | Very high | 100 Ų | 100 | 46.5 Ų | 46.5 | 44% | 0.435 | 23% | 0.228 | S | C | . | . | H | α-helix | trans | -64.1 | -40.2 | 175.5 | -63.7 | -178.5 | -168.3 | 162 | 0 | 111.8 | T35 F41 D192 | T35-K37 PolarHBondContact O-N 3.14Å; K37-F41 PolarHBondContact O-N 3.41Å; K37-F41 VanDerWaalsContact O-N 3.15Å; K37-D192 HydrophobicContact CD-CB 4.44Å; K37-D192 IonicContact NZ-OD1 2.76Å; K37-D192 PolarHBondContact NZ-OD1 3.36Å |
| 38 | Y | 95.3 | Very high | 95.3 | Very high | 6 Ų | 6 | 52.4 Ų | 52.4 | 2% | 0.024 | 25% | 0.25 | C | C | . | . | H | α-helix | trans | -65.4 | -46.2 | 174.7 | 171.3 | -102.7 | 0 | 0 | 0 | 111.4 | F32 V34 T35 E36 A40 F41 K42 D160 F188 | F32-Y38 HydrophobicContact CD2-CD2 4.35Å; F32-Y38 AromaticContact CE2-CD1 3.8Å; F32-Y38 HydrophobicContact CE2-CD1 3.8Å; F32-Y38 AromaticContact CE2-CD2 3.55Å; F32-Y38 HydrophobicContact CE2-CD2 3.55Å; F32-Y38 AromaticContact CE2-CE1 3.67Å; F32-Y38 HydrophobicContact CE2-CE1 3.67Å; F32-Y38 AromaticContact CE2-CE2 3.43Å; F32-Y38 HydrophobicContact CE2-CE2 3.43Å; F32-Y38 VanDerWaalsContact CE2-CE2 3.43Å; F32-Y38 AromaticContact CE2-CG 3.74Å; F32-Y38 HydrophobicContact CE2-CG 3.74Å; F32-Y38 AromaticContact CE2-CZ 3.48Å; F32-Y38 VanDerWaalsContact CE2-CZ 3.48Å; F32-Y38 HydrophobicContact CZ-CD1 4.47Å; F32-Y38 HydrophobicContact CZ-CD2 4.23Å; F32-Y38 AromaticContact CZ-CE1 3.87Å; F32-Y38 HydrophobicContact CZ-CE1 3.87Å; F32-Y38 AromaticContact CZ-CE2 3.63Å; F32-Y38 HydrophobicContact CZ-CE2 3.63Å; F32-Y38 AromaticContact CZ-CZ 3.4Å; F32-Y38 VanDerWaalsContact CZ-CZ 3.4Å; V34-Y38 HydrophobicContact CB-CD1 4.45Å; V34-Y38 HydrophobicContact CG1-CD1 4.03Å; V34-Y38 HydrophobicContact CG1-CE1 4.46Å; T35-Y38 WeakPolarHBondContact O-CB 3.33Å; T35-Y38 PolarHBondContact O-N 3.14Å; T35-Y38 VanDerWaalsContact O-N 3.1Å; T35-Y38 PolarHBondContact OG1-N 3.46Å; E36-Y38 VanDerWaalsContact C-N 3.35Å; Y38-A40 VanDerWaalsContact C-N 3.35Å; Y38-A40 PolarHBondContact O-N 2.87Å; Y38-F41 PolarHBondContact O-N 3.26Å; Y38-K42 HydrophobicContact CE1-CB 4.49Å; Y38-K42 HydrophobicContact CE1-CD 4.2Å; Y38-K42 WeakPolarHBondContact O-CB 3.44Å; Y38-K42 PolarHBondContact O-N 3.27Å; Y38-D160 PolarHBondContact OH-OD2 3.26Å; Y38-F188 HydrophobicContact CD2-CE1 4.24Å; Y38-F188 HydrophobicContact CE2-CD1 4.39Å; Y38-F188 AromaticContact CE2-CE1 3.67Å; Y38-F188 HydrophobicContact CE2-CE1 3.67Å; Y38-F188 HydrophobicContact CE2-CZ 4.41Å |
| 39 | E | 95.9 | Very high | 94.7 | Very high | 40 Ų | 40 | 53.8 Ų | 53.8 | 19% | 0.187 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -62.2 | -41.5 | -179.7 | -74.4 | -64.1 | 162.1 | 0 | 0 | 112.4 | V34 T35 E36 K42 Q43 R162 | V34-E39 HydrophobicContact CG1-CG 3.91Å; V34-E39 WeakPolarHBondContact CG1-OE1 3.46Å; T35-E39 PolarHBondContact O-N 2.83Å; E36-E39 PolarHBondContact O-N 2.98Å; E39-K42 PolarHBondContact O-N 3.07Å; E39-K42 IonicContact OE1-NZ 2.75Å; E39-K42 WeakPolarHBondContact OE2-CE 3.36Å; E39-K42 IonicContact OE2-NZ 3.88Å; E39-K42 PolarHBondContact OE2-NZ 3.43Å; E39-Q43 WeakPolarHBondContact O-CG 3.43Å; E39-Q43 PolarHBondContact O-N 2.67Å; E39-Q43 VanDerWaalsContact O-N 3.07Å; E39-R162 IonicContact OE1-CZ 3.7Å; E39-R162 VanDerWaalsContact OE1-CZ 3.31Å; E39-R162 IonicContact OE1-NH1 3.28Å; E39-R162 PolarHBondContact OE1-NH1 3.39Å; E39-R162 VanDerWaalsContact OE1-NH1 3.08Å; E39-R162 IonicContact OE1-NH2 2.94Å; E39-R162 PolarHBondContact OE1-NH2 3.4Å |
| 40 | A | 95.9 | Very high | 93.9 | Very high | 45 Ų | 45 | 59.6 Ų | 59.6 | 37% | 0.372 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -60.1 | -49.3 | 173.9 | 0 | 0 | 0 | 0 | 0 | 111.6 | E36 Y38 K42 Q43 E44 | E36-A40 WeakPolarHBondContact O-CB 3.46Å; E36-A40 PolarHBondContact O-N 3.38Å; Y38-A40 VanDerWaalsContact C-N 3.35Å; Y38-A40 PolarHBondContact O-N 2.87Å; A40-K42 VanDerWaalsContact C-N 3.34Å; A40-K42 PolarHBondContact O-N 2.95Å; A40-Q43 PolarHBondContact O-N 2.85Å; A40-E44 WeakPolarHBondContact O-CG 3.24Å; A40-E44 PolarHBondContact O-N 3.15Å; A40-E44 VanDerWaalsContact O-N 3.08Å |
| 41 | F | 95.5 | Very high | 92.2 | Very high | 57 Ų | 57 | 62.9 Ų | 62.9 | 25% | 0.25 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -59.7 | -43.5 | 177 | 171.5 | -91.5 | 0 | 0 | 0 | 112.4 | K37 Y38 Q43 E44 E45 R191 | K37-F41 PolarHBondContact O-N 3.41Å; K37-F41 VanDerWaalsContact O-N 3.15Å; Y38-F41 PolarHBondContact O-N 3.26Å; F41-Q43 VanDerWaalsContact C-N 3.3Å; F41-Q43 PolarHBondContact O-N 3.15Å; F41-E44 PolarHBondContact O-N 2.85Å; F41-E45 HydrophobicContact CE1-CB 4.16Å; F41-E45 HydrophobicContact CZ-CB 4.27Å; F41-E45 WeakPolarHBondContact O-CB 3.4Å; F41-E45 PolarHBondContact O-N 3.18Å; F41-R191 VanDerWaalsContact CD1-CZ 3.44Å; F41-R191 VanDerWaalsContact CD2-NE 3.34Å; F41-R191 VanDerWaalsContact CE2-NH2 3.27Å |
| 42 | K | 95.2 | Very high | 90.5 | Very high | 21 Ų | 21 | 67.9 Ų | 67.9 | 9% | 0.091 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -59.8 | -43.4 | 179.8 | -169.6 | -164.8 | 79.2 | -161.7 | 0 | 110.9 | Y38 E39 A40 E45 E46 K163 | Y38-K42 HydrophobicContact CE1-CB 4.49Å; Y38-K42 HydrophobicContact CE1-CD 4.2Å; Y38-K42 WeakPolarHBondContact O-CB 3.44Å; Y38-K42 PolarHBondContact O-N 3.27Å; E39-K42 PolarHBondContact O-N 3.07Å; E39-K42 IonicContact OE1-NZ 2.75Å; E39-K42 WeakPolarHBondContact OE2-CE 3.36Å; E39-K42 IonicContact OE2-NZ 3.88Å; E39-K42 PolarHBondContact OE2-NZ 3.43Å; A40-K42 VanDerWaalsContact C-N 3.34Å; A40-K42 PolarHBondContact O-N 2.95Å; K42-E45 PolarHBondContact O-N 3.02Å; K42-E46 WeakPolarHBondContact CE-OE1 3.49Å; K42-E46 WeakPolarHBondContact O-CB 3.46Å; K42-E46 VanDerWaalsContact O-CG 3.29Å; K42-E46 WeakPolarHBondContact O-CG 3.36Å; K42-E46 PolarHBondContact O-N 3.36Å; K42-K163 HydrophobicContact CD-CG 4.34Å; K42-K163 HydrophobicContact CG-CG 4.19Å |
| 43 | Q | 94.9 | Very high | 88.5 | Confident | 113 Ų | 113 | 70.4 Ų | 70.4 | 53% | 0.528 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -62.6 | -48.3 | 177.1 | -70.8 | 173 | 14.5 | 0 | 0 | 111.6 | E39 A40 F41 E45 E46 E47 | E39-Q43 WeakPolarHBondContact O-CG 3.43Å; E39-Q43 PolarHBondContact O-N 2.67Å; E39-Q43 VanDerWaalsContact O-N 3.07Å; A40-Q43 PolarHBondContact O-N 2.85Å; F41-Q43 VanDerWaalsContact C-N 3.3Å; F41-Q43 PolarHBondContact O-N 3.15Å; Q43-E45 VanDerWaalsContact C-N 3.32Å; Q43-E45 PolarHBondContact O-N 3.27Å; Q43-E46 PolarHBondContact O-N 3.5Å; Q43-E47 WeakPolarHBondContact O-CG 3.25Å; Q43-E47 PolarHBondContact O-N 3.04Å |
| 44 | E | 94 | Very high | 87 | Confident | 131 Ų | 131 | 74.6 Ų | 74.6 | 61% | 0.612 | 39% | 0.385 | S | S | * | . | H | α-helix | trans | -59.6 | -42.2 | 176.7 | -70.1 | 176.1 | -175.4 | 0 | 0 | 112.1 | A40 F41 E47 R48 | A40-E44 WeakPolarHBondContact O-CG 3.24Å; A40-E44 PolarHBondContact O-N 3.15Å; A40-E44 VanDerWaalsContact O-N 3.08Å; F41-E44 PolarHBondContact O-N 2.85Å; E44-E47 PolarHBondContact O-N 2.71Å; E44-R48 WeakPolarHBondContact O-CB 3.27Å; E44-R48 PolarHBondContact O-N 2.59Å |
| 45 | E | 92.9 | Very high | 85.7 | Confident | 13 Ų | 13 | 76 Ų | 76 | 6% | 0.061 | 41% | 0.406 | C | S | . | . | H | α-helix | trans | -65 | -44.6 | 177.4 | 179.8 | 172.5 | -108.7 | 0 | 0 | 111.9 | F41 K42 Q43 E47 R48 L49 K163 | F41-E45 HydrophobicContact CE1-CB 4.16Å; F41-E45 HydrophobicContact CZ-CB 4.27Å; F41-E45 WeakPolarHBondContact O-CB 3.4Å; F41-E45 PolarHBondContact O-N 3.18Å; K42-E45 PolarHBondContact O-N 3.02Å; Q43-E45 VanDerWaalsContact C-N 3.32Å; Q43-E45 PolarHBondContact O-N 3.27Å; E45-E47 VanDerWaalsContact C-N 3.35Å; E45-E47 PolarHBondContact O-N 2.7Å; E45-R48 PolarHBondContact O-N 3.41Å; E45-R48 IonicContact OE1-NH2 3.94Å; E45-L49 HydrophobicContact CG-CD1 3.6Å; E45-L49 HydrophobicContact CG-CG 4.24Å; E45-L49 WeakPolarHBondContact O-CB 3.36Å; E45-L49 VanDerWaalsContact O-CG 3.25Å; E45-L49 WeakPolarHBondContact O-CG 3.45Å; E45-L49 PolarHBondContact O-N 3.21Å; E45-K163 IonicContact OE2-NZ 3.31Å; E45-K163 PolarHBondContact OE2-NZ 3.4Å |
| 46 | E | 91.2 | Very high | 85.3 | Confident | 33 Ų | 33 | 76.7 Ų | 76.7 | 15% | 0.154 | 41% | 0.41 | C | S | . | . | H | α-helix | trans | -60.3 | -43.4 | 176.5 | -77.8 | -178 | -162.1 | 0 | 0 | 112 | K42 Q43 L49 K50 P164 | K42-E46 WeakPolarHBondContact CE-OE1 3.49Å; K42-E46 WeakPolarHBondContact O-CB 3.46Å; K42-E46 VanDerWaalsContact O-CG 3.29Å; K42-E46 WeakPolarHBondContact O-CG 3.36Å; K42-E46 PolarHBondContact O-N 3.36Å; Q43-E46 PolarHBondContact O-N 3.5Å; E46-L49 PolarHBondContact O-N 3.35Å; E46-K50 WeakPolarHBondContact O-CB 3.44Å; E46-K50 VanDerWaalsContact O-CG 3.23Å; E46-K50 WeakPolarHBondContact O-CG 3.45Å; E46-K50 PolarHBondContact O-N 2.9Å; E46-P164 HydrophobicContact CG-CG 3.85Å; E46-P164 VanDerWaalsContact OE1-CD 3.23Å; E46-P164 WeakPolarHBondContact OE1-CD 3.39Å |
| 47 | E | 90.9 | Very high | 85.2 | Confident | 141 Ų | 141 | 69.5 Ų | 69.5 | 66% | 0.659 | 38% | 0.379 | S | S | * | . | H | α-helix | trans | -64.1 | -45.9 | 176.8 | -72.8 | -177.4 | 173.9 | 0 | 0 | 111.7 | Q43 E44 E45 L49 | Q43-E47 WeakPolarHBondContact O-CG 3.25Å; Q43-E47 PolarHBondContact O-N 3.04Å; E44-E47 PolarHBondContact O-N 2.71Å; E45-E47 VanDerWaalsContact C-N 3.35Å; E45-E47 PolarHBondContact O-N 2.7Å; E47-L49 VanDerWaalsContact C-N 3.32Å; E47-L49 PolarHBondContact O-N 3.33Å |
| 48 | R | 89.8 | Confident | 85 | Confident | 123 Ų | 123 | 70.8 Ų | 70.8 | 46% | 0.464 | 40% | 0.398 | S | S | . | . | H | α-helix | trans | -59.5 | -43 | 177.4 | -176 | -175.8 | 62.1 | 75.1 | -2.8 | 111.7 | E44 E45 Q52 | E44-R48 WeakPolarHBondContact O-CB 3.27Å; E44-R48 PolarHBondContact O-N 2.59Å; E45-R48 PolarHBondContact O-N 3.41Å; E45-R48 IonicContact OE1-NH2 3.94Å; R48-Q52 WeakPolarHBondContact O-CG 3.42Å |
| 49 | L | 85.8 | Confident | 84.9 | Confident | 29 Ų | 29 | 76.6 Ų | 76.6 | 15% | 0.152 | 43% | 0.429 | C | S | . | . | H | α-helix | trans | -77.1 | -34.8 | -175.6 | -70 | 173.8 | 0 | 0 | 0 | 112.9 | E45 E46 E47 G51 Q52 F165 V167 | E45-L49 HydrophobicContact CG-CD1 3.6Å; E45-L49 HydrophobicContact CG-CG 4.24Å; E45-L49 WeakPolarHBondContact O-CB 3.36Å; E45-L49 VanDerWaalsContact O-CG 3.25Å; E45-L49 WeakPolarHBondContact O-CG 3.45Å; E45-L49 PolarHBondContact O-N 3.21Å; E46-L49 PolarHBondContact O-N 3.35Å; E47-L49 VanDerWaalsContact C-N 3.32Å; E47-L49 PolarHBondContact O-N 3.33Å; L49-G51 PolarHBondContact O-N 3.27Å; L49-G51 VanDerWaalsContact O-N 3.16Å; L49-Q52 PolarHBondContact O-N 3.49Å; L49-Q52 VanDerWaalsContact O-N 3.1Å; L49-F165 HydrophobicContact CB-CE2 3.48Å; L49-F165 VanDerWaalsContact CB-CE2 3.48Å; L49-F165 HydrophobicContact CB-CZ 3.59Å; L49-F165 HydrophobicContact CD1-CE2 3.7Å; L49-F165 HydrophobicContact CG-CE2 4.22Å; L49-V167 HydrophobicContact CD1-CG1 4.24Å; L49-V167 HydrophobicContact CD1-CG2 4.06Å |
| 50 | K | 82.1 | Confident | 85 | Confident | 125 Ų | 125 | 75.2 Ų | 75.2 | 54% | 0.543 | 42% | 0.423 | S | S | . | . | H | α-helix | trans | -55.2 | -33.4 | 173.6 | -80.2 | 168.8 | -173.7 | 163.9 | 0 | 112.6 | E46 F165 | E46-K50 WeakPolarHBondContact O-CB 3.44Å; E46-K50 VanDerWaalsContact O-CG 3.23Å; E46-K50 WeakPolarHBondContact O-CG 3.45Å; E46-K50 PolarHBondContact O-N 2.9Å; K50-F165 HydrophobicContact CG-CE1 4.16Å; K50-F165 HydrophobicContact CG-CZ 4.4Å |
| 51 | G | 64 | Low | 85.1 | Confident | 70 Ų | 70 | 73.6 Ų | 73.6 | 72% | 0.722 | 41% | 0.408 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80 | -12.7 | -179.4 | 0 | 0 | 0 | 0 | 0 | 115.9 | L49 | L49-G51 PolarHBondContact O-N 3.27Å; L49-G51 VanDerWaalsContact O-N 3.16Å |
| 52 | Q | 62.8 | Low | 85.3 | Confident | 131 Ų | 131 | 71.1 Ų | 71.1 | 61% | 0.612 | 40% | 0.397 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -104.8 | -5.6 | -166.6 | -69.8 | -179.4 | -0.8 | 0 | 0 | 114.9 | R48 L49 | R48-Q52 WeakPolarHBondContact O-CG 3.42Å; L49-Q52 PolarHBondContact O-N 3.49Å; L49-Q52 VanDerWaalsContact O-N 3.1Å |
| 53 | G | 56.1 | Low | 85.4 | Confident | 57 Ų | 57 | 70.1 Ų | 70.1 | 59% | 0.588 | 39% | 0.393 | S | S | * | . | trans | 73.1 | 124 | -174.6 | 0 | 0 | 0 | 0 | 0 | 111.1 | G55 | G53-G55 PolarHBondContact O-N 3.42Å; G53-G55 VanDerWaalsContact O-N 3.12Å | ||
| 54 | H | 62.8 | Low | 85.5 | Confident | 94 Ų | 94 | 66.6 Ų | 66.6 | 44% | 0.435 | 38% | 0.376 | S | S | . | . | trans | -76.2 | 106.3 | -170.8 | -60.1 | 90.3 | 0 | 0 | 0 | 110.7 | V56 F165 | H54-V56 HydrophobicContact CB-CG2 4.13Å; H54-V56 PolarHBondContact O-N 3.01Å; H54-F165 AromaticContact CD2-CD1 3.63Å; H54-F165 AromaticContact CD2-CD2 3.57Å; H54-F165 AromaticContact CD2-CE1 3.83Å; H54-F165 AromaticContact CD2-CE2 3.77Å; H54-F165 AromaticContact CD2-CG 3.5Å; H54-F165 AromaticContact CD2-CZ 3.9Å; H54-F165 AromaticContact CE1-CD1 3.85Å; H54-F165 AromaticContact CE1-CE1 3.69Å; H54-F165 AromaticContact NE2-CD1 3.13Å; H54-F165 WeakPolarHBondContact NE2-CD1 3.34Å; H54-F165 AromaticContact NE2-CD2 3.69Å; H54-F165 AromaticContact NE2-CE1 2.93Å; H54-F165 WeakPolarHBondContact NE2-CE1 3.26Å; H54-F165 AromaticContact NE2-CE2 3.51Å; H54-F165 AromaticContact NE2-CG 3.52Å; H54-F165 AromaticContact NE2-CZ 3.14Å; H54-F165 WeakPolarHBondContact NE2-CZ 3.44Å | ||
| 55 | G | 69.9 | Low | 85.6 | Confident | 61 Ų | 61 | 62.2 Ų | 62.2 | 63% | 0.629 | 36% | 0.355 | S | S | * | . | trans | -73.4 | 28.8 | 166.7 | 0 | 0 | 0 | 0 | 0 | 113.5 | G53 | G53-G55 PolarHBondContact O-N 3.42Å; G53-G55 VanDerWaalsContact O-N 3.12Å | ||
| 56 | V | 87.1 | Confident | 85.6 | Confident | 41 Ų | 41 | 65.4 Ų | 65.4 | 25% | 0.248 | 38% | 0.376 | C | S | . | . | trans | -79.3 | 125 | -179.5 | 179.2 | 0 | 0 | 0 | 0 | 108.1 | H54 V60 Y157 P166 | H54-V56 HydrophobicContact CB-CG2 4.13Å; H54-V56 PolarHBondContact O-N 3.01Å; V56-V60 HydrophobicContact CG1-CB 4.3Å; V56-V60 HydrophobicContact CG1-CG2 4.35Å; V56-Y157 HydrophobicContact CG1-CE1 4.11Å; V56-P166 HydrophobicContact CG1-CB 4.11Å; V56-P166 HydrophobicContact CG1-CG 3.96Å; V56-P166 HydrophobicContact CG2-CB 4.37Å | ||
| 57 | S | 91.1 | Very high | 85.5 | Confident | 28 Ų | 28 | 66.8 Ų | 66.8 | 20% | 0.196 | 38% | 0.383 | C | S | . | . | trans | -63.9 | 139.1 | 177.1 | 177.1 | 0 | 0 | 0 | 0 | 110.3 | D59 V60 Y157 | S57-D59 PolarHBondContact O-N 3.11Å; S57-D59 VanDerWaalsContact O-N 3.14Å; S57-D59 WeakPolarHBondContact OG-CB 3.09Å; S57-D59 PolarHBondContact OG-N 3.13Å; S57-D59 PolarHBondContact OG-OD2 2.84Å; S57-V60 PolarHBondContact O-N 2.9Å; S57-V60 VanDerWaalsContact O-N 3.14Å; S57-Y157 PolarHBondContact N-OH 3.38Å | ||
| 58 | P | 91.1 | Very high | 85.4 | Confident | 128 Ų | 128 | 63 Ų | 63 | 83% | 0.831 | 38% | 0.383 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.4 | -15.6 | 171.9 | 28.5 | -36.6 | 0 | 0 | 0 | 113.1 | V60 | P58-V60 VanDerWaalsContact C-N 3.25Å; P58-V60 PolarHBondContact O-N 3.2Å |
| 59 | D | 94.5 | Very high | 85.2 | Confident | 127 Ų | 127 | 61 Ų | 61 | 68% | 0.679 | 38% | 0.381 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75.2 | -14.9 | 177.6 | -57.5 | -36.5 | 0 | 0 | 0 | 112.7 | S57 Y61 V152 | S57-D59 PolarHBondContact O-N 3.11Å; S57-D59 VanDerWaalsContact O-N 3.14Å; S57-D59 WeakPolarHBondContact OG-CB 3.09Å; S57-D59 PolarHBondContact OG-N 3.13Å; S57-D59 PolarHBondContact OG-OD2 2.84Å; D59-Y61 PolarHBondContact O-N 3.17Å; D59-V152 HydrophobicContact CB-CG1 4.12Å |
| 60 | V | 97.4 | Very high | 85.5 | Confident | 11 Ų | 11 | 60 Ų | 60 | 7% | 0.067 | 38% | 0.377 | C | S | . | . | trans | -73.5 | 118.9 | 178.9 | -179.7 | 0 | 0 | 0 | 0 | 109.9 | V56 S57 P58 F62 V152 Y157 L159 P166 | V56-V60 HydrophobicContact CG1-CB 4.3Å; V56-V60 HydrophobicContact CG1-CG2 4.35Å; S57-V60 PolarHBondContact O-N 2.9Å; S57-V60 VanDerWaalsContact O-N 3.14Å; P58-V60 VanDerWaalsContact C-N 3.25Å; P58-V60 PolarHBondContact O-N 3.2Å; V60-F62 PolarHBondContact O-N 3.33Å; V60-V152 HydrophobicContact CG2-CB 4.01Å; V60-V152 HydrophobicContact CG2-CG1 3.85Å; V60-V152 HydrophobicContact CG2-CG2 4.28Å; V60-Y157 HydrophobicContact CG2-CD1 4.01Å; V60-Y157 HydrophobicContact CG2-CD2 3.92Å; V60-Y157 HydrophobicContact CG2-CE1 3.74Å; V60-Y157 HydrophobicContact CG2-CE2 3.64Å; V60-Y157 HydrophobicContact CG2-CG 4.09Å; V60-L159 HydrophobicContact CG1-CD2 3.77Å; V60-P166 HydrophobicContact CG1-CB 4.32Å; V60-P166 HydrophobicContact CG1-CG 3.87Å | ||
| 61 | Y | 98.4 | Very high | 86.1 | Confident | 12 Ų | 12 | 54.7 Ų | 54.7 | 5% | 0.047 | 36% | 0.355 | C | S | . | . | trans | -83.7 | 114.6 | 172 | -172.7 | -78 | 0 | 0 | 0 | 109.8 | D59 I63 I77 A81 N82 F98 L99 T102 R110 | D59-Y61 PolarHBondContact O-N 3.17Å; Y61-I63 HydrophobicContact CD1-CG1 4.3Å; Y61-I63 HydrophobicContact CE1-CD1 3.65Å; Y61-I63 HydrophobicContact CE1-CG1 3.52Å; Y61-I77 HydrophobicContact CE1-CG2 3.94Å; Y61-A81 HydrophobicContact CD1-CB 3.23Å; Y61-A81 HydrophobicContact CD2-CB 4.18Å; Y61-A81 HydrophobicContact CE1-CB 3.76Å; Y61-A81 HydrophobicContact CG-CB 3.47Å; Y61-A81 VanDerWaalsContact CG-CB 3.47Å; Y61-N82 PolarHBondContact N-OD1 3.44Å; Y61-N82 PolarHBondContact O-ND2 3.35Å; Y61-F98 WeakPolarHBondContact OH-CE1 3.44Å; Y61-L99 HydrophobicContact CE1-CD2 4.17Å; Y61-L99 HydrophobicContact CE2-CD2 4.27Å; Y61-T102 PolarHBondContact OH-OG1 2.76Å; Y61-R110 VanDerWaalsContact CD2-CZ 3.5Å; Y61-R110 VanDerWaalsContact CE2-NE 3.34Å | ||
| 62 | F | 98.3 | Very high | 87.6 | Confident | 5 Ų | 5 | 52.2 Ų | 52.2 | 2% | 0.022 | 33% | 0.33 | C | S | . | . | trans | -130.6 | 143.5 | -177.2 | -176.4 | -116.2 | 0 | 0 | 0 | 111.2 | V60 K64 H78 P107 R110 L159 D160 P166 | V60-F62 PolarHBondContact O-N 3.33Å; F62-K64 HydrophobicContact CE1-CD 4.01Å; F62-K64 HydrophobicContact CZ-CD 4.49Å; F62-H78 AromaticContact CD2-CE1 3.79Å; F62-H78 AromaticContact CD2-NE2 3.9Å; F62-H78 AromaticContact CE2-CE1 3.92Å; F62-P107 HydrophobicContact CB-CG 4.47Å; F62-P107 HydrophobicContact CD1-CB 3.71Å; F62-P107 HydrophobicContact CD1-CG 3.82Å; F62-P107 HydrophobicContact CE1-CB 4.31Å; F62-P107 WeakPolarHBondContact O-CA 3.31Å; F62-R110 VanDerWaalsContact N-NH1 3.12Å; F62-R110 WeakPolarHBondContact O-CD 3.3Å; F62-R110 PolarHBondContact O-NH1 3.37Å; F62-L159 HydrophobicContact CD2-CB 4.33Å; F62-L159 HydrophobicContact CD2-CD2 4.06Å; F62-D160 WeakPolarHBondContact CE2-O 3.41Å; F62-D160 VanDerWaalsContact CZ-O 3.26Å; F62-D160 WeakPolarHBondContact CZ-O 3.47Å; F62-P166 HydrophobicContact CB-CG 3.83Å; F62-P166 HydrophobicContact CD1-CG 4.17Å; F62-P166 HydrophobicContact CD2-CG 3.85Å; F62-P166 HydrophobicContact CE2-CG 4.45Å; F62-P166 HydrophobicContact CG-CG 3.69Å | ||
| 63 | I | 97.8 | Very high | 89.2 | Confident | 0 Ų | 0 | 46.9 Ų | 46.9 | 0% | 0 | 31% | 0.307 | C | S | . | . | trans | -131.3 | 133.7 | 179.7 | -53.2 | -169.8 | 0 | 0 | 0 | 108 | Y61 I77 H78 F98 R110 A111 G161 | Y61-I63 HydrophobicContact CD1-CG1 4.3Å; Y61-I63 HydrophobicContact CE1-CD1 3.65Å; Y61-I63 HydrophobicContact CE1-CG1 3.52Å; I63-I77 HydrophobicContact CD1-CB 4.45Å; I63-I77 HydrophobicContact CD1-CD1 4.46Å; I63-I77 HydrophobicContact CD1-CG2 3.58Å; I63-H78 PolarHBondContact N-NE2 2.84Å; I63-H78 PolarHBondContact O-CE1 2.96Å; I63-H78 PolarHBondContact O-NE2 3.33Å; I63-F98 HydrophobicContact CD1-CE1 3.81Å; I63-F98 HydrophobicContact CD1-CZ 3.88Å; I63-R110 HydrophobicContact CB-CB 4.29Å; I63-R110 HydrophobicContact CD1-CB 4.22Å; I63-R110 HydrophobicContact CG1-CB 3.84Å; I63-R110 HydrophobicContact CG1-CG 4.4Å; I63-R110 HydrophobicContact CG2-CB 3.98Å; I63-A111 HydrophobicContact CG2-CB 4.19Å; I63-G161 WeakPolarHBondContact O-CA 3.4Å | ||
| 64 | K | 97.8 | Very high | 91.2 | Very high | 39 Ų | 39 | 44.4 Ų | 44.4 | 17% | 0.17 | 28% | 0.28 | C | S | . | . | trans | -74.5 | 141.7 | 170.1 | -73 | -68.3 | -58.4 | 176.9 | 0 | 111.3 | F62 T66 P107 E108 A111 G161 R162 K163 | F62-K64 HydrophobicContact CE1-CD 4.01Å; F62-K64 HydrophobicContact CZ-CD 4.49Å; K64-T66 PolarHBondContact O-N 3.15Å; K64-P107 HydrophobicContact CG-CB 4Å; K64-P107 PolarHBondContact N-O 3.15Å; K64-E108 HydrophobicContact CG-CG 4.35Å; K64-A111 HydrophobicContact CB-CB 4.06Å; K64-A111 WeakPolarHBondContact O-CB 3.46Å; K64-G161 WeakPolarHBondContact CA-O 3.27Å; K64-G161 WeakPolarHBondContact CE-O 3.47Å; K64-G161 PolarHBondContact NZ-O 3.29Å; K64-R162 PolarHBondContact NZ-O 3.12Å; K64-R162 VanDerWaalsContact NZ-O 3.17Å; K64-K163 WeakPolarHBondContact CD-O 3.42Å; K64-K163 PolarHBondContact NZ-O 3.19Å | ||
| 65 | Q | 95.7 | Very high | 92.9 | Very high | 38 Ų | 38 | 40 Ų | 40 | 18% | 0.178 | 26% | 0.26 | C | S | . | . | trans | -87.7 | 111.1 | 171.3 | -176.6 | 169.9 | -22.8 | 0 | 0 | 110 | I67 C71 I74 H145 G161 R162 | Q65-I67 WeakPolarHBondContact CG-O 3.48Å; Q65-I67 PolarHBondContact NE2-O 3.02Å; Q65-C71 VanDerWaalsContact OE1-CB 3.3Å; Q65-I74 HydrophobicContact CB-CD1 3.45Å; Q65-I74 VanDerWaalsContact CB-CD1 3.45Å; Q65-I74 HydrophobicContact CG-CD1 3.49Å; Q65-I74 VanDerWaalsContact CG-CD1 3.49Å; Q65-H145 PolarHBondContact OE1-CE1 3.37Å; Q65-G161 PolarHBondContact N-O 3.4Å; Q65-R162 HydrophobicContact CB-CG 4.47Å | ||
| 66 | T | 92.6 | Very high | 94.2 | Very high | 80 Ų | 80 | 40.7 Ų | 40.7 | 49% | 0.491 | 25% | 0.249 | S | C | . | . | trans | -115.2 | -7.9 | 175.3 | 52.7 | 0 | 0 | 0 | 0 | 112.8 | K64 A111 E115 | K64-T66 PolarHBondContact O-N 3.15Å; T66-A111 HydrophobicContact CG2-CB 3.89Å; T66-E115 WeakPolarHBondContact CB-OE1 3.36Å; T66-E115 PolarHBondContact OG1-OE1 3.18Å | ||
| 67 | I | 89.5 | Confident | 94.7 | Very high | 62 Ų | 62 | 38.9 Ų | 38.9 | 32% | 0.318 | 24% | 0.238 | S | C | . | . | S | Bend | trans | -105.1 | 131.1 | 179.1 | -52.6 | 166.7 | 0 | 0 | 0 | 109.1 | Q65 A70 L114 E115 | Q65-I67 WeakPolarHBondContact CG-O 3.48Å; Q65-I67 PolarHBondContact NE2-O 3.02Å; I67-A70 HydrophobicContact CB-CB 3.76Å; I67-A70 HydrophobicContact CG2-CB 3.96Å; I67-L114 HydrophobicContact CD1-CG 4.21Å; I67-E115 HydrophobicContact CD1-CB 4.34Å; I67-E115 HydrophobicContact CD1-CG 3.76Å; I67-E115 HydrophobicContact CG1-CG 3.6Å |
| 68 | G | 87.7 | Confident | 95.1 | Very high | 63 Ų | 63 | 37.6 Ų | 37.6 | 65% | 0.649 | 23% | 0.229 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -60.4 | 140.1 | 173.5 | 0 | 0 | 0 | 0 | 0 | 111.5 | A70 | G68-A70 PolarHBondContact O-N 3.4Š|
| 69 | N | 87.4 | Confident | 95.4 | Very high | 80 Ų | 80 | 31.5 Ų | 31.5 | 43% | 0.428 | 19% | 0.189 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 59.2 | 7.5 | 178.6 | -57.8 | -22.7 | 0 | 0 | 0 | 116.7 | C71 | N69-C71 PolarHBondContact O-N 3.32Š|
| 70 | A | 91.8 | Very high | 95.5 | Very high | 8 Ų | 8 | 26 Ų | 26 | 7% | 0.066 | 16% | 0.16 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -81.2 | 4.9 | 177.8 | 0 | 0 | 0 | 0 | 0 | 114.5 | I67 G68 G72 T73 I74 | I67-A70 HydrophobicContact CB-CB 3.76Å; I67-A70 HydrophobicContact CG2-CB 3.96Å; G68-A70 PolarHBondContact O-N 3.4Å; A70-G72 VanDerWaalsContact C-N 3.29Å; A70-G72 PolarHBondContact O-N 2.75Å; A70-T73 PolarHBondContact O-N 2.65Å; A70-T73 VanDerWaalsContact O-N 3.15Å; A70-I74 HydrophobicContact CB-CD1 4.24Å; A70-I74 WeakPolarHBondContact O-CG1 3.42Å; A70-I74 PolarHBondContact O-N 2.92Å |
| 71 | C | 94 | Very high | 95.6 | Very high | 13 Ų | 13 | 25.9 Ų | 25.9 | 9% | 0.088 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -57.9 | -37.7 | -174.2 | 62.3 | 0 | 0 | 0 | 0 | 113 | Q65 N69 I74 G75 H145 F146 | Q65-C71 VanDerWaalsContact OE1-CB 3.3Å; N69-C71 PolarHBondContact O-N 3.32Å; C71-I74 PolarHBondContact O-N 3.23Å; C71-G75 PolarHBondContact O-N 2.87Å; C71-H145 VanDerWaalsContact CB-CE1 3.49Å; C71-H145 WeakPolarHBondContact CB-CE1 3.28Å; C71-H145 VanDerWaalsContact CB-ND1 3.26Å; C71-H145 WeakPolarHBondContact CB-ND1 3.35Å; C71-F146 HydrophobicContact CB-CB 4.2Å |
| 72 | G | 94.8 | Very high | 95.6 | Very high | 18 Ų | 18 | 26.4 Ų | 26.4 | 19% | 0.186 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -61.5 | -49.2 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | A70 I74 G75 L76 | A70-G72 VanDerWaalsContact C-N 3.29Å; A70-G72 PolarHBondContact O-N 2.75Å; G72-I74 VanDerWaalsContact C-N 3.35Å; G72-I74 PolarHBondContact O-N 3.27Å; G72-G75 PolarHBondContact O-N 3.19Å; G72-L76 VanDerWaalsContact O-CG 3.3Å; G72-L76 WeakPolarHBondContact O-CG 3.33Å; G72-L76 PolarHBondContact O-N 3.28Å |
| 73 | T | 96.7 | Very high | 95.5 | Very high | 20 Ų | 20 | 26.5 Ų | 26.5 | 12% | 0.123 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -60.4 | -44.4 | 175.6 | -64.4 | 0 | 0 | 0 | 0 | 111.7 | A70 L76 I77 I120 H124 | A70-T73 PolarHBondContact O-N 2.65Å; A70-T73 VanDerWaalsContact O-N 3.15Å; T73-L76 PolarHBondContact O-N 3.13Å; T73-I77 HydrophobicContact CG2-CD1 3.78Å; T73-I77 HydrophobicContact CG2-CG1 4.4Å; T73-I77 VanDerWaalsContact O-CG1 3.27Å; T73-I77 WeakPolarHBondContact O-CG1 3.41Å; T73-I77 PolarHBondContact O-N 3.42Å; T73-I120 HydrophobicContact CG2-CG2 3.59Å; T73-H124 PolarHBondContact OG1-ND1 3.34Å |
| 74 | I | 97.9 | Very high | 95.4 | Very high | 4 Ų | 4 | 29.7 Ų | 29.7 | 2% | 0.021 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -64.4 | -43.7 | 179.8 | -69.3 | 171.5 | 0 | 0 | 0 | 110.8 | Q65 A70 C71 G72 L76 I77 H78 L114 | Q65-I74 HydrophobicContact CB-CD1 3.45Å; Q65-I74 VanDerWaalsContact CB-CD1 3.45Å; Q65-I74 HydrophobicContact CG-CD1 3.49Å; Q65-I74 VanDerWaalsContact CG-CD1 3.49Å; A70-I74 HydrophobicContact CB-CD1 4.24Å; A70-I74 WeakPolarHBondContact O-CG1 3.42Å; A70-I74 PolarHBondContact O-N 2.92Å; C71-I74 PolarHBondContact O-N 3.23Å; G72-I74 VanDerWaalsContact C-N 3.35Å; G72-I74 PolarHBondContact O-N 3.27Å; I74-L76 VanDerWaalsContact C-N 3.34Å; I74-L76 PolarHBondContact O-N 3.23Å; I74-I77 PolarHBondContact O-N 3.24Å; I74-H78 WeakPolarHBondContact CG2-CE1 3.45Å; I74-H78 WeakPolarHBondContact O-CB 3.47Å; I74-H78 VanDerWaalsContact O-CG 3.3Å; I74-H78 PolarHBondContact O-N 2.97Å; I74-L114 HydrophobicContact CD1-CD2 4.49Å; I74-L114 HydrophobicContact CG1-CD2 3.97Å |
| 75 | G | 98.1 | Very high | 95.1 | Very high | 2 Ų | 2 | 32.6 Ų | 32.6 | 2% | 0.021 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -60.2 | -42 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | C71 G72 H78 A79 | C71-G75 PolarHBondContact O-N 2.87Å; G72-G75 PolarHBondContact O-N 3.19Å; G75-H78 PolarHBondContact O-N 2.7Å; G75-A79 WeakPolarHBondContact O-CB 2.99Å; G75-A79 PolarHBondContact O-N 3.08Å |
| 76 | L | 97.9 | Very high | 94.8 | Very high | 75 Ų | 75 | 34.3 Ų | 34.3 | 39% | 0.393 | 22% | 0.218 | S | C | . | . | H | α-helix | trans | -64.5 | -43.9 | 174.6 | -69.4 | 172.8 | 0 | 0 | 0 | 112.2 | F7 L29 G72 T73 I74 A79 V80 | F7-L76 HydrophobicContact CD2-CD2 4.07Å; F7-L76 HydrophobicContact CE2-CD2 3.28Å; F7-L76 HydrophobicContact CZ-CD2 3.64Å; L29-L76 HydrophobicContact CD2-CD2 4.11Å; L29-L76 HydrophobicContact CD2-CG 4.44Å; G72-L76 VanDerWaalsContact O-CG 3.3Å; G72-L76 WeakPolarHBondContact O-CG 3.33Å; G72-L76 PolarHBondContact O-N 3.28Å; T73-L76 PolarHBondContact O-N 3.13Å; I74-L76 VanDerWaalsContact C-N 3.34Å; I74-L76 PolarHBondContact O-N 3.23Å; L76-A79 PolarHBondContact O-N 3.17Å; L76-V80 WeakPolarHBondContact O-CG2 3.47Å; L76-V80 PolarHBondContact O-N 3.08Å |
| 77 | I | 98.2 | Very high | 94.7 | Very high | 4 Ų | 4 | 30.9 Ų | 30.9 | 2% | 0.021 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -62.4 | -44.8 | 176.1 | -67.8 | 167.3 | 0 | 0 | 0 | 110.1 | Y61 I63 T73 I74 A79 V80 A81 L95 F98 L99 L114 I120 | Y61-I77 HydrophobicContact CE1-CG2 3.94Å; I63-I77 HydrophobicContact CD1-CB 4.45Å; I63-I77 HydrophobicContact CD1-CD1 4.46Å; I63-I77 HydrophobicContact CD1-CG2 3.58Å; T73-I77 HydrophobicContact CG2-CD1 3.78Å; T73-I77 HydrophobicContact CG2-CG1 4.4Å; T73-I77 VanDerWaalsContact O-CG1 3.27Å; T73-I77 WeakPolarHBondContact O-CG1 3.41Å; T73-I77 PolarHBondContact O-N 3.42Å; I74-I77 PolarHBondContact O-N 3.24Å; I77-A79 PolarHBondContact O-N 2.98Å; I77-V80 PolarHBondContact O-N 3.37Å; I77-A81 WeakPolarHBondContact O-CB 3.42Å; I77-A81 PolarHBondContact O-N 3.24Å; I77-L95 HydrophobicContact CG1-CD1 3.91Å; I77-F98 HydrophobicContact CD1-CE1 4.18Å; I77-F98 HydrophobicContact CD1-CZ 4.46Å; I77-F98 HydrophobicContact CG2-CE1 4.09Å; I77-L99 HydrophobicContact CG2-CD2 4.16Å; I77-L114 HydrophobicContact CD1-CD1 4.04Å; I77-L114 HydrophobicContact CD1-CD2 4.3Å; I77-I120 HydrophobicContact CD1-CD1 4.46Å |
| 78 | H | 98.7 | Very high | 94.8 | Very high | 1 Ų | 1 | 33.1 Ų | 33.1 | 1% | 0.005 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -58.8 | -46.2 | 176.2 | -75 | 169.2 | 0 | 0 | 0 | 112 | F62 I63 I74 G75 N82 A148 L159 | F62-H78 AromaticContact CD2-CE1 3.79Å; F62-H78 AromaticContact CD2-NE2 3.9Å; F62-H78 AromaticContact CE2-CE1 3.92Å; I63-H78 PolarHBondContact N-NE2 2.84Å; I63-H78 PolarHBondContact O-CE1 2.96Å; I63-H78 PolarHBondContact O-NE2 3.33Å; I74-H78 WeakPolarHBondContact CG2-CE1 3.45Å; I74-H78 WeakPolarHBondContact O-CB 3.47Å; I74-H78 VanDerWaalsContact O-CG 3.3Å; I74-H78 PolarHBondContact O-N 2.97Å; G75-H78 PolarHBondContact O-N 2.7Å; H78-N82 PolarHBondContact O-N 3.4Å; H78-N82 PolarHBondContact O-ND2 2.95Å; H78-A148 HydrophobicContact CB-CB 3.92Å; H78-L159 HydrophobicContact CB-CB 4.1Å; H78-L159 HydrophobicContact CB-CD1 3.71Å; H78-L159 VanDerWaalsContact ND1-CB 3.3Å; H78-L159 WeakPolarHBondContact ND1-CB 3.26Å |
| 79 | A | 98.4 | Very high | 94.9 | Very high | 0 Ų | 0 | 31.8 Ų | 31.8 | 0% | 0 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -59.7 | -47.5 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | F7 A27 L29 G75 L76 I77 N83 | F7-A79 HydrophobicContact CZ-CB 4.36Å; A27-A79 HydrophobicContact CB-CB 3.52Å; L29-A79 HydrophobicContact CD1-CB 3.9Å; G75-A79 WeakPolarHBondContact O-CB 2.99Å; G75-A79 PolarHBondContact O-N 3.08Å; L76-A79 PolarHBondContact O-N 3.17Å; I77-A79 PolarHBondContact O-N 2.98Å; A79-N83 WeakPolarHBondContact O-CB 3.42Å; A79-N83 PolarHBondContact O-ND2 2.67Å |
| 80 | V | 97.3 | Very high | 95.1 | Very high | 12 Ų | 12 | 32.4 Ų | 32.4 | 7% | 0.073 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -72.8 | -44.5 | -177.2 | 172.5 | 0 | 0 | 0 | 0 | 112.1 | L76 I77 N82 N83 Q84 L87 F89 L95 L99 | L76-V80 WeakPolarHBondContact O-CG2 3.47Å; L76-V80 PolarHBondContact O-N 3.08Å; I77-V80 PolarHBondContact O-N 3.37Å; V80-N82 VanDerWaalsContact C-N 3.31Å; V80-N82 PolarHBondContact O-N 3.1Å; V80-N83 CarbonylContact O-C 3.5Å; V80-N83 PolarHBondContact O-N 2.68Å; V80-N83 VanDerWaalsContact O-N 3.11Å; V80-Q84 WeakPolarHBondContact O-CG 3.33Å; V80-Q84 PolarHBondContact O-N 3.31Å; V80-L87 HydrophobicContact CB-CD1 3.99Å; V80-L87 HydrophobicContact CG1-CD1 3.71Å; V80-L87 HydrophobicContact CG2-CD1 4Å; V80-F89 HydrophobicContact CG1-CE1 3.69Å; V80-F89 HydrophobicContact CG1-CZ 3.54Å; V80-L95 HydrophobicContact CB-CD2 4.13Å; V80-L95 HydrophobicContact CG1-CD2 3.77Å; V80-L95 HydrophobicContact CG1-CG 4.42Å; V80-L95 HydrophobicContact CG2-CD2 4.14Å; V80-L99 HydrophobicContact CG1-CD1 4.04Å |
| 81 | A | 97.9 | Very high | 94.9 | Very high | 7 Ų | 7 | 36.9 Ų | 36.9 | 6% | 0.058 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -63.6 | -36.4 | -174.1 | 0 | 0 | 0 | 0 | 0 | 112.9 | Y61 I77 N83 Q84 L99 | Y61-A81 HydrophobicContact CD1-CB 3.23Å; Y61-A81 HydrophobicContact CD2-CB 4.18Å; Y61-A81 HydrophobicContact CE1-CB 3.76Å; Y61-A81 HydrophobicContact CG-CB 3.47Å; Y61-A81 VanDerWaalsContact CG-CB 3.47Å; I77-A81 WeakPolarHBondContact O-CB 3.42Å; I77-A81 PolarHBondContact O-N 3.24Å; A81-N83 VanDerWaalsContact C-N 3.3Å; A81-Q84 WeakPolarHBondContact O-CG 3.43Å; A81-Q84 PolarHBondContact O-NE2 3.18Å; A81-L99 HydrophobicContact CB-CD2 3.5Å |
| 82 | N | 98.4 | Very high | 94.6 | Very high | 24 Ų | 24 | 43.6 Ų | 43.6 | 13% | 0.128 | 26% | 0.255 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -84.5 | -4.1 | 179.1 | -68 | -78.5 | 0 | 0 | 0 | 113.2 | Y61 H78 V80 V150 V152 L159 | Y61-N82 PolarHBondContact N-OD1 3.44Å; Y61-N82 PolarHBondContact O-ND2 3.35Å; H78-N82 PolarHBondContact O-N 3.4Å; H78-N82 PolarHBondContact O-ND2 2.95Å; V80-N82 VanDerWaalsContact C-N 3.31Å; V80-N82 PolarHBondContact O-N 3.1Å; N82-V150 HydrophobicContact CB-CB 4.22Å; N82-V150 HydrophobicContact CB-CG1 4.26Å; N82-V150 HydrophobicContact CB-CG2 3.98Å; N82-V152 HydrophobicContact CB-CG2 3.92Å; N82-L159 VanDerWaalsContact ND2-CD1 3.32Å; N82-L159 WeakPolarHBondContact ND2-CD1 3.5Å |
| 83 | N | 97.4 | Very high | 94.5 | Very high | 7 Ų | 7 | 43.4 Ų | 43.4 | 4% | 0.037 | 25% | 0.251 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -124.5 | 19.7 | -179.6 | -70.6 | -70.4 | 0 | 0 | 0 | 113.2 | C26 A79 V80 A81 A85 H86 L87 | C26-N83 HydrophobicContact CB-CB 4.31Å; C26-N83 WeakPolarHBondContact CB-OD1 3.18Å; C26-N83 PolarHBondContact O-ND2 2.98Å; C26-N83 PolarHBondContact O-OD1 3.08Å; A79-N83 WeakPolarHBondContact O-CB 3.42Å; A79-N83 PolarHBondContact O-ND2 2.67Å; V80-N83 CarbonylContact O-C 3.5Å; V80-N83 PolarHBondContact O-N 2.68Å; V80-N83 VanDerWaalsContact O-N 3.11Å; A81-N83 VanDerWaalsContact C-N 3.3Å; N83-A85 PolarHBondContact O-N 3.34Å; N83-H86 PolarHBondContact O-N 3.29Å; N83-L87 HydrophobicContact CB-CD1 4.19Å; N83-L87 HydrophobicContact CB-CG 4.43Å; N83-L87 WeakPolarHBondContact O-CG 3.16Å; N83-L87 PolarHBondContact O-N 3.2Å |
| 84 | Q | 94.6 | Very high | 94.3 | Very high | 67 Ų | 67 | 45.6 Ų | 45.6 | 31% | 0.313 | 27% | 0.265 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -54.9 | -26.8 | -176.2 | -72.7 | 179.6 | 77.9 | 0 | 0 | 114.1 | V80 A81 H86 L87 F89 L99 | V80-Q84 WeakPolarHBondContact O-CG 3.33Å; V80-Q84 PolarHBondContact O-N 3.31Å; A81-Q84 WeakPolarHBondContact O-CG 3.43Å; A81-Q84 PolarHBondContact O-NE2 3.18Å; Q84-H86 VanDerWaalsContact C-N 3.27Å; Q84-H86 PolarHBondContact O-N 2.94Å; Q84-L87 PolarHBondContact O-N 2.91Å; Q84-F89 HydrophobicContact CG-CE2 4.27Å; Q84-F89 HydrophobicContact CG-CZ 4.21Å; Q84-L99 HydrophobicContact CG-CD1 4.09Å |
| 85 | A | 91.9 | Very high | 94.1 | Very high | 100 Ų | 100 | 47.5 Ų | 47.5 | 83% | 0.826 | 28% | 0.275 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67 | -26 | 176.8 | 0 | 0 | 0 | 0 | 0 | 113.5 | N83 | N83-A85 PolarHBondContact O-N 3.34Š|
| 86 | H | 89.1 | Confident | 94 | Very high | 73 Ų | 73 | 50.2 Ų | 50.2 | 34% | 0.338 | 29% | 0.287 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -96.6 | -17.9 | -179.4 | -55.3 | -68.1 | 0 | 0 | 0 | 113 | W5 N83 Q84 E174 | W5-H86 HydrophobicContact CZ2-CB 3.74Å; W5-H86 PolarHBondContact NE1-O 2.63Å; N83-H86 PolarHBondContact O-N 3.29Å; Q84-H86 VanDerWaalsContact C-N 3.27Å; Q84-H86 PolarHBondContact O-N 2.94Å; H86-E174 IonicContact CE1-OE1 3.2Å; H86-E174 IonicContact NE2-OE1 2.63Å |
| 87 | L | 90.6 | Very high | 93.9 | Very high | 9 Ų | 9 | 53 Ų | 53 | 5% | 0.047 | 30% | 0.296 | C | S | . | . | P | Polyproline II helix | trans | -103.1 | 136.4 | -170.2 | -58.3 | 178.5 | 0 | 0 | 0 | 111.4 | M1 W5 V80 N83 Q84 F89 | M1-L87 HydrophobicContact SD-CB 4.35Å; M1-L87 HydrophobicContact SD-CD1 4.13Å; M1-L87 HydrophobicContact SD-CD2 3.76Å; M1-L87 HydrophobicContact SD-CG 4.29Å; W5-L87 HydrophobicContact CB-CD2 3.85Å; W5-L87 HydrophobicContact CD2-CD2 3.89Å; W5-L87 HydrophobicContact CG-CD2 3.41Å; W5-L87 VanDerWaalsContact CG-CD2 3.41Å; V80-L87 HydrophobicContact CB-CD1 3.99Å; V80-L87 HydrophobicContact CG1-CD1 3.71Å; V80-L87 HydrophobicContact CG2-CD1 4Å; N83-L87 HydrophobicContact CB-CD1 4.19Å; N83-L87 HydrophobicContact CB-CG 4.43Å; N83-L87 WeakPolarHBondContact O-CG 3.16Å; N83-L87 PolarHBondContact O-N 3.2Å; Q84-L87 PolarHBondContact O-N 2.91Å; L87-F89 HydrophobicContact CB-CE2 4.26Å; L87-F89 HydrophobicContact CB-CZ 4.41Å |
| 88 | Q | 91.1 | Very high | 93.8 | Very high | 109 Ų | 109 | 52.9 Ų | 52.9 | 51% | 0.509 | 30% | 0.295 | S | S | . | . | P | Polyproline II helix | trans | -102.1 | 132 | 174.4 | -63.2 | -178.2 | 10.5 | 0 | 0 | 110.5 | M1 K2 | M1-Q88 CarbonylContact C-O 3.5Å; M1-Q88 VanDerWaalsContact CA-O 3.31Å; M1-Q88 WeakPolarHBondContact CA-O 3.3Å; M1-Q88 WeakPolarHBondContact CG-O 3.36Å; K2-Q88 HydrophobicContact CB-CB 4.06Å; K2-Q88 HydrophobicContact CD-CB 3.96Å; K2-Q88 VanDerWaalsContact CD-OE1 3.3Å; K2-Q88 HydrophobicContact CG-CB 4.31Å; K2-Q88 PolarHBondContact N-O 3.19Å |
| 89 | F | 91.7 | Very high | 93.7 | Very high | 35 Ų | 35 | 53 Ų | 53 | 15% | 0.154 | 30% | 0.295 | C | S | . | . | P | Polyproline II helix | trans | -102.1 | 147.9 | 178.2 | -60.9 | -91.8 | 0 | 0 | 0 | 110.5 | V80 Q84 L87 L95 K96 L99 | V80-F89 HydrophobicContact CG1-CE1 3.69Å; V80-F89 HydrophobicContact CG1-CZ 3.54Å; Q84-F89 HydrophobicContact CG-CE2 4.27Å; Q84-F89 HydrophobicContact CG-CZ 4.21Å; L87-F89 HydrophobicContact CB-CE2 4.26Å; L87-F89 HydrophobicContact CB-CZ 4.41Å; F89-L95 HydrophobicContact CE1-CG 4.47Å; F89-K96 HydrophobicContact CB-CB 3.9Å; F89-K96 HydrophobicContact CB-CD 4.35Å; F89-K96 HydrophobicContact CB-CG 4.06Å; F89-K96 HydrophobicContact CD1-CB 3.7Å; F89-K96 HydrophobicContact CD1-CD 4.2Å; F89-K96 HydrophobicContact CD1-CG 4.35Å; F89-K96 HydrophobicContact CD2-CD 3.7Å; F89-K96 HydrophobicContact CD2-CG 4.36Å; F89-K96 HydrophobicContact CE1-CB 4.37Å; F89-K96 HydrophobicContact CE1-CD 4.43Å; F89-K96 HydrophobicContact CE2-CD 3.98Å; F89-K96 HydrophobicContact CG-CB 3.81Å; F89-K96 HydrophobicContact CG-CD 3.81Å; F89-K96 HydrophobicContact CG-CG 4Å; F89-K96 HydrophobicContact CZ-CD 4.33Å; F89-L99 HydrophobicContact CE1-CD1 4.23Å; F89-L99 HydrophobicContact CZ-CD1 4.02Å |
| 90 | E | 90.6 | Very high | 93.6 | Very high | 92 Ų | 92 | 57.3 Ų | 57.3 | 43% | 0.43 | 32% | 0.318 | S | S | . | . | P | Polyproline II helix | trans | -70.4 | 153.5 | 165.9 | -61.6 | -58.3 | 158.7 | 0 | 0 | 109.5 | K2 D92 S93 | K2-E90 WeakPolarHBondContact CG-OE1 3.25Å; E90-D92 PolarHBondContact O-N 3.21Å; E90-S93 VanDerWaalsContact O-CB 3.28Å; E90-S93 WeakPolarHBondContact O-CB 3.42Å; E90-S93 PolarHBondContact O-N 3.02Å |
| 91 | A | 86.8 | Confident | 93.6 | Very high | 103 Ų | 103 | 61.1 Ų | 61.1 | 85% | 0.851 | 34% | 0.336 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53.5 | -40.6 | -174.1 | 0 | 0 | 0 | 0 | 0 | 113.1 | ||
| 92 | D | 88.6 | Confident | 93.6 | Very high | 154 Ų | 154 | 60.8 Ų | 60.8 | 82% | 0.824 | 33% | 0.333 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -105.7 | 28.2 | -178.2 | -61.1 | -45.6 | 0 | 0 | 0 | 112.9 | E90 P94 | E90-D92 PolarHBondContact O-N 3.21Å; D92-P94 VanDerWaalsContact O-CD 3.22Å; D92-P94 WeakPolarHBondContact O-CD 3.48Å |
| 93 | S | 91.8 | Very high | 93.6 | Very high | 14 Ų | 14 | 62.2 Ų | 62.2 | 10% | 0.098 | 35% | 0.348 | C | S | . | . | trans | -63 | 119 | -178.5 | -179.8 | 0 | 0 | 0 | 0 | 111.7 | E90 L95 K96 K97 | E90-S93 VanDerWaalsContact O-CB 3.28Å; E90-S93 WeakPolarHBondContact O-CB 3.42Å; E90-S93 PolarHBondContact O-N 3.02Å; S93-L95 VanDerWaalsContact C-N 3.28Å; S93-L95 PolarHBondContact O-N 3.42Å; S93-K96 PolarHBondContact O-N 3.14Å; S93-K96 VanDerWaalsContact O-N 3.1Å; S93-K96 PolarHBondContact OG-N 3.28Å; S93-K97 PolarHBondContact O-N 2.93Å; S93-K97 VanDerWaalsContact O-N 3.08Å | ||
| 94 | P | 92.9 | Very high | 93.5 | Very high | 65 Ų | 65 | 71.9 Ų | 71.9 | 42% | 0.422 | 39% | 0.39 | S | S | . | . | H | α-helix | trans | -59.4 | -40.1 | 177.2 | -25.4 | 35.2 | 0 | 0 | 0 | 112.4 | D92 K96 K97 F98 S119 | D92-P94 VanDerWaalsContact O-CD 3.22Å; D92-P94 WeakPolarHBondContact O-CD 3.48Å; P94-K96 PolarHBondContact O-N 3.09Å; P94-K97 WeakPolarHBondContact O-CB 3.4Å; P94-K97 PolarHBondContact O-N 3.02Å; P94-F98 WeakPolarHBondContact O-CB 3.32Å; P94-F98 PolarHBondContact O-N 2.84Å; P94-S119 WeakPolarHBondContact CB-OG 3.42Å |
| 95 | L | 94.4 | Very high | 93.7 | Very high | 44 Ų | 44 | 71.2 Ų | 71.2 | 23% | 0.23 | 39% | 0.387 | C | S | . | . | H | α-helix | trans | -61.3 | -43.4 | 175.6 | -178.1 | 57.4 | 0 | 0 | 0 | 111.8 | I77 V80 F89 S93 K97 F98 L99 | I77-L95 HydrophobicContact CG1-CD1 3.91Å; V80-L95 HydrophobicContact CB-CD2 4.13Å; V80-L95 HydrophobicContact CG1-CD2 3.77Å; V80-L95 HydrophobicContact CG1-CG 4.42Å; V80-L95 HydrophobicContact CG2-CD2 4.14Å; F89-L95 HydrophobicContact CE1-CG 4.47Å; S93-L95 VanDerWaalsContact C-N 3.28Å; S93-L95 PolarHBondContact O-N 3.42Å; L95-K97 VanDerWaalsContact C-N 3.33Å; L95-K97 PolarHBondContact O-N 3.02Å; L95-F98 WeakPolarHBondContact O-CB 3.3Å; L95-F98 PolarHBondContact O-N 2.83Å; L95-L99 HydrophobicContact CD1-CD1 4.47Å; L95-L99 HydrophobicContact CD1-CG 4.29Å; L95-L99 HydrophobicContact CG-CD1 4.3Å; L95-L99 VanDerWaalsContact O-CG 3.27Å; L95-L99 WeakPolarHBondContact O-CG 3.06Å; L95-L99 PolarHBondContact O-N 3.11Å |
| 96 | K | 95.3 | Very high | 93.9 | Very high | 60 Ų | 60 | 69.4 Ų | 69.4 | 26% | 0.261 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -61.7 | -44 | 177.2 | -174.8 | 54.4 | 168.1 | 78.6 | 0 | 111.6 | F89 S93 P94 F98 L99 D100 | F89-K96 HydrophobicContact CB-CB 3.9Å; F89-K96 HydrophobicContact CB-CD 4.35Å; F89-K96 HydrophobicContact CB-CG 4.06Å; F89-K96 HydrophobicContact CD1-CB 3.7Å; F89-K96 HydrophobicContact CD1-CD 4.2Å; F89-K96 HydrophobicContact CD1-CG 4.35Å; F89-K96 HydrophobicContact CD2-CD 3.7Å; F89-K96 HydrophobicContact CD2-CG 4.36Å; F89-K96 HydrophobicContact CE1-CB 4.37Å; F89-K96 HydrophobicContact CE1-CD 4.43Å; F89-K96 HydrophobicContact CE2-CD 3.98Å; F89-K96 HydrophobicContact CG-CB 3.81Å; F89-K96 HydrophobicContact CG-CD 3.81Å; F89-K96 HydrophobicContact CG-CG 4Å; F89-K96 HydrophobicContact CZ-CD 4.33Å; S93-K96 PolarHBondContact O-N 3.14Å; S93-K96 VanDerWaalsContact O-N 3.1Å; S93-K96 PolarHBondContact OG-N 3.28Å; P94-K96 PolarHBondContact O-N 3.09Å; K96-F98 PolarHBondContact O-N 3.01Å; K96-L99 PolarHBondContact O-N 3.21Å; K96-D100 IonicContact NZ-OD1 2.65Å; K96-D100 PolarHBondContact NZ-OD1 3.47Å; K96-D100 IonicContact NZ-OD2 3.64Å; K96-D100 PolarHBondContact NZ-OD2 2.96Å; K96-D100 PolarHBondContact O-N 3.35Å |
| 97 | K | 95.6 | Very high | 94.3 | Very high | 134 Ų | 134 | 67.5 Ų | 67.5 | 58% | 0.583 | 36% | 0.36 | S | S | * | . | H | α-helix | trans | -59.8 | -45.6 | 176.5 | -173.7 | -175.4 | 174.4 | -175.3 | 0 | 111.5 | S93 P94 L95 L99 D100 Q101 | S93-K97 PolarHBondContact O-N 2.93Å; S93-K97 VanDerWaalsContact O-N 3.08Å; P94-K97 WeakPolarHBondContact O-CB 3.4Å; P94-K97 PolarHBondContact O-N 3.02Å; L95-K97 VanDerWaalsContact C-N 3.33Å; L95-K97 PolarHBondContact O-N 3.02Å; K97-L99 PolarHBondContact O-N 2.84Å; K97-D100 PolarHBondContact O-N 3.33Å; K97-Q101 HydrophobicContact CG-CG 4.48Å; K97-Q101 WeakPolarHBondContact O-CB 3.33Å; K97-Q101 VanDerWaalsContact O-CG 3.26Å; K97-Q101 WeakPolarHBondContact O-CG 3.48Å; K97-Q101 PolarHBondContact O-N 3.17Å |
| 98 | F | 97.1 | Very high | 94.6 | Very high | 1 Ų | 1 | 71.9 Ų | 71.9 | 0% | 0.004 | 38% | 0.38 | C | S | . | . | H | α-helix | trans | -57.6 | -48 | 174.9 | 175.2 | -87 | 0 | 0 | 0 | 111.5 | Y61 I63 I77 P94 L95 K96 D100 Q101 T102 F113 L114 I120 | Y61-F98 WeakPolarHBondContact OH-CE1 3.44Å; I63-F98 HydrophobicContact CD1-CE1 3.81Å; I63-F98 HydrophobicContact CD1-CZ 3.88Å; I77-F98 HydrophobicContact CD1-CE1 4.18Å; I77-F98 HydrophobicContact CD1-CZ 4.46Å; I77-F98 HydrophobicContact CG2-CE1 4.09Å; P94-F98 WeakPolarHBondContact O-CB 3.32Å; P94-F98 PolarHBondContact O-N 2.84Å; L95-F98 WeakPolarHBondContact O-CB 3.3Å; L95-F98 PolarHBondContact O-N 2.83Å; K96-F98 PolarHBondContact O-N 3.01Å; F98-D100 VanDerWaalsContact C-N 3.35Å; F98-D100 PolarHBondContact O-N 2.94Å; F98-Q101 PolarHBondContact O-N 3.14Å; F98-T102 HydrophobicContact CD2-CG2 4.33Å; F98-T102 HydrophobicContact CE1-CG2 4.34Å; F98-T102 HydrophobicContact CE2-CG2 4.13Å; F98-T102 HydrophobicContact CZ-CG2 4.12Å; F98-T102 WeakPolarHBondContact O-CB 3.47Å; F98-T102 VanDerWaalsContact O-CG2 3.23Å; F98-T102 WeakPolarHBondContact O-CG2 3.43Å; F98-T102 PolarHBondContact O-N 2.94Å; F98-T102 PolarHBondContact O-OG1 2.78Å; F98-F113 AromaticContact CD2-CD1 3.73Å; F98-F113 HydrophobicContact CD2-CD1 3.73Å; F98-F113 AromaticContact CD2-CE1 3.91Å; F98-F113 HydrophobicContact CD2-CE1 3.91Å; F98-F113 AromaticContact CE2-CD1 3.64Å; F98-F113 HydrophobicContact CE2-CD1 3.64Å; F98-F113 HydrophobicContact CE2-CE1 4.3Å; F98-L114 HydrophobicContact CE2-CB 3.93Å; F98-L114 HydrophobicContact CE2-CD1 3.89Å; F98-L114 HydrophobicContact CZ-CB 4.05Å; F98-L114 HydrophobicContact CZ-CD1 4.12Å; F98-I120 HydrophobicContact CB-CD1 3.83Å; F98-I120 HydrophobicContact CD1-CD1 4.18Å; F98-I120 HydrophobicContact CD2-CD1 3.46Å; F98-I120 VanDerWaalsContact CD2-CD1 3.46Å; F98-I120 HydrophobicContact CE2-CD1 4.03Å; F98-I120 HydrophobicContact CG-CD1 3.55Å |
| 99 | L | 97 | Very high | 95 | Very high | 2 Ų | 2 | 71.5 Ų | 71.5 | 1% | 0.01 | 38% | 0.378 | C | S | . | . | H | α-helix | trans | -61.8 | -41.6 | 179 | -66 | 176.3 | 0 | 0 | 0 | 112.2 | Y61 I77 V80 A81 Q84 F89 L95 K96 K97 T102 A103 | Y61-L99 HydrophobicContact CE1-CD2 4.17Å; Y61-L99 HydrophobicContact CE2-CD2 4.27Å; I77-L99 HydrophobicContact CG2-CD2 4.16Å; V80-L99 HydrophobicContact CG1-CD1 4.04Å; A81-L99 HydrophobicContact CB-CD2 3.5Å; Q84-L99 HydrophobicContact CG-CD1 4.09Å; F89-L99 HydrophobicContact CE1-CD1 4.23Å; F89-L99 HydrophobicContact CZ-CD1 4.02Å; L95-L99 HydrophobicContact CD1-CD1 4.47Å; L95-L99 HydrophobicContact CD1-CG 4.29Å; L95-L99 HydrophobicContact CG-CD1 4.3Å; L95-L99 VanDerWaalsContact O-CG 3.27Å; L95-L99 WeakPolarHBondContact O-CG 3.06Å; L95-L99 PolarHBondContact O-N 3.11Å; K96-L99 PolarHBondContact O-N 3.21Å; K97-L99 PolarHBondContact O-N 2.84Å; L99-T102 PolarHBondContact O-N 2.89Å; L99-T102 PolarHBondContact O-OG1 2.81Å; L99-A103 WeakPolarHBondContact O-CA 3.4Å; L99-A103 WeakPolarHBondContact O-CB 3.42Å; L99-A103 PolarHBondContact O-N 2.89Å |
| 100 | D | 96.2 | Very high | 95.3 | Very high | 91 Ų | 91 | 70.9 Ų | 70.9 | 49% | 0.487 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -66.6 | -42.5 | 178.5 | -72.1 | -24 | 0 | 0 | 0 | 112.5 | K96 K97 F98 T102 | K96-D100 IonicContact NZ-OD1 2.65Å; K96-D100 PolarHBondContact NZ-OD1 3.47Å; K96-D100 IonicContact NZ-OD2 3.64Å; K96-D100 PolarHBondContact NZ-OD2 2.96Å; K96-D100 PolarHBondContact O-N 3.35Å; K97-D100 PolarHBondContact O-N 3.33Å; F98-D100 VanDerWaalsContact C-N 3.35Å; F98-D100 PolarHBondContact O-N 2.94Å; D100-T102 VanDerWaalsContact C-N 3.27Å; D100-T102 PolarHBondContact O-N 3.42Å |
| 101 | Q | 97.4 | Very high | 95.6 | Very high | 93 Ų | 93 | 66.5 Ų | 66.5 | 44% | 0.435 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -68.6 | -28.6 | 180 | -71.7 | 178 | -47.7 | 0 | 0 | 112.5 | K97 F98 M105 F113 | K97-Q101 HydrophobicContact CG-CG 4.48Å; K97-Q101 WeakPolarHBondContact O-CB 3.33Å; K97-Q101 VanDerWaalsContact O-CG 3.26Å; K97-Q101 WeakPolarHBondContact O-CG 3.48Å; K97-Q101 PolarHBondContact O-N 3.17Å; F98-Q101 PolarHBondContact O-N 3.14Å; Q101-M105 WeakPolarHBondContact O-CE 3.5Å; Q101-F113 HydrophobicContact CB-CE1 4.48Å; Q101-F113 HydrophobicContact CB-CE2 4.4Å; Q101-F113 HydrophobicContact CB-CZ 3.94Å |
| 102 | T | 98 | Very high | 96.1 | Very high | 0 Ų | 0 | 64.6 Ų | 64.6 | 0% | 0 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -107 | 3.3 | -173.2 | 64.3 | 0 | 0 | 0 | 0 | 113.8 | Y61 F98 L99 D100 K104 M105 R110 F113 | Y61-T102 PolarHBondContact OH-OG1 2.76Å; F98-T102 HydrophobicContact CD2-CG2 4.33Å; F98-T102 HydrophobicContact CE1-CG2 4.34Å; F98-T102 HydrophobicContact CE2-CG2 4.13Å; F98-T102 HydrophobicContact CZ-CG2 4.12Å; F98-T102 WeakPolarHBondContact O-CB 3.47Å; F98-T102 VanDerWaalsContact O-CG2 3.23Å; F98-T102 WeakPolarHBondContact O-CG2 3.43Å; F98-T102 PolarHBondContact O-N 2.94Å; F98-T102 PolarHBondContact O-OG1 2.78Å; L99-T102 PolarHBondContact O-N 2.89Å; L99-T102 PolarHBondContact O-OG1 2.81Å; D100-T102 VanDerWaalsContact C-N 3.27Å; D100-T102 PolarHBondContact O-N 3.42Å; T102-K104 PolarHBondContact O-N 2.65Å; T102-K104 VanDerWaalsContact O-N 3.17Å; T102-M105 HydrophobicContact CG2-SD 3.77Å; T102-M105 WeakPolarHBondContact O-CB 3.34Å; T102-M105 PolarHBondContact O-N 2.68Å; T102-M105 VanDerWaalsContact O-N 3.13Å; T102-R110 PolarHBondContact O-NE 3.33Å; T102-R110 VanDerWaalsContact O-NE 3.11Å; T102-F113 HydrophobicContact CG2-CB 4.03Å; T102-F113 HydrophobicContact CG2-CD1 3.59Å; T102-F113 HydrophobicContact CG2-CD2 4.28Å; T102-F113 HydrophobicContact CG2-CE1 4.09Å; T102-F113 HydrophobicContact CG2-CG 3.69Å |
| 103 | A | 96.9 | Very high | 96.6 | Very high | 54 Ų | 54 | 59.9 Ų | 59.9 | 45% | 0.446 | 31% | 0.305 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -54.4 | -39.7 | -175.2 | 0 | 0 | 0 | 0 | 0 | 113 | L99 R110 | L99-A103 WeakPolarHBondContact O-CA 3.4Å; L99-A103 WeakPolarHBondContact O-CB 3.42Å; L99-A103 PolarHBondContact O-N 2.89Å; A103-R110 PolarHBondContact O-NH2 2.97Å |
| 104 | K | 96.6 | Very high | 96.8 | Very high | 210 Ų | 210 | 59.8 Ų | 59.8 | 91% | 0.913 | 30% | 0.303 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -99.6 | 3.9 | -176.8 | -60.7 | -176.6 | -179.1 | 179 | 0 | 114.6 | T102 | T102-K104 PolarHBondContact O-N 2.65Å; T102-K104 VanDerWaalsContact O-N 3.17Å |
| 105 | M | 97.8 | Very high | 96.9 | Very high | 52 Ų | 52 | 61 Ų | 61 | 26% | 0.256 | 30% | 0.303 | S | S | . | . | S | Bend | trans | -81.1 | 153.8 | -179.7 | -74.1 | 178.3 | -174.8 | 0 | 0 | 111.4 | Q101 T102 E109 R110 F113 | Q101-M105 WeakPolarHBondContact O-CE 3.5Å; T102-M105 HydrophobicContact CG2-SD 3.77Å; T102-M105 WeakPolarHBondContact O-CB 3.34Å; T102-M105 PolarHBondContact O-N 2.68Å; T102-M105 VanDerWaalsContact O-N 3.13Å; M105-E109 VanDerWaalsContact CA-OE2 3.3Å; M105-E109 WeakPolarHBondContact CA-OE2 3.44Å; M105-E109 HydrophobicContact CB-CB 3.75Å; M105-E109 HydrophobicContact CG-CB 4.07Å; M105-E109 HydrophobicContact SD-CB 4.35Å; M105-R110 HydrophobicContact CB-CG 3.86Å; M105-R110 VanDerWaalsContact O-CZ 3.27Å; M105-R110 PolarHBondContact O-NE 3.47Å; M105-R110 PolarHBondContact O-NH2 3.14Å; M105-F113 HydrophobicContact CE-CD2 3.7Å; M105-F113 HydrophobicContact CE-CE2 4.14Å; M105-F113 HydrophobicContact CE-CG 4.49Å; M105-F113 HydrophobicContact SD-CB 4.18Å; M105-F113 HydrophobicContact SD-CD2 4.1Å; M105-F113 HydrophobicContact SD-CG 4.34Å |
| 106 | T | 96.9 | Very high | 96.9 | Very high | 62 Ų | 62 | 66.4 Ų | 66.4 | 38% | 0.38 | 33% | 0.325 | S | S | . | . | trans | -68.1 | 163.9 | 168.2 | 76 | 0 | 0 | 0 | 0 | 111.2 | E108 E109 R110 | T106-E108 PolarHBondContact O-N 3.5Å; T106-E108 PolarHBondContact OG1-OE2 3.06Å; T106-E109 PolarHBondContact N-OE2 3.38Å; T106-E109 PolarHBondContact O-N 3Å; T106-E109 WeakPolarHBondContact OG1-CG 3.34Å; T106-E109 PolarHBondContact OG1-N 3.02Å; T106-R110 VanDerWaalsContact O-CG 3.31Å; T106-R110 WeakPolarHBondContact O-CG 3.37Å; T106-R110 PolarHBondContact O-N 3.44Å | ||
| 107 | P | 97.4 | Very high | 96.8 | Very high | 34 Ų | 34 | 64.8 Ų | 64.8 | 22% | 0.221 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -55.2 | -35.8 | 174.7 | -28.3 | 37.7 | 0 | 0 | 0 | 114.6 | F62 K64 A111 | F62-P107 HydrophobicContact CB-CG 4.47Å; F62-P107 HydrophobicContact CD1-CB 3.71Å; F62-P107 HydrophobicContact CD1-CG 3.82Å; F62-P107 HydrophobicContact CE1-CB 4.31Å; F62-P107 WeakPolarHBondContact O-CA 3.31Å; K64-P107 HydrophobicContact CG-CB 4Å; K64-P107 PolarHBondContact N-O 3.15Å; P107-A111 PolarHBondContact O-N 3.49Å |
| 108 | E | 97.5 | Very high | 96.6 | Very high | 101 Ų | 101 | 65.2 Ų | 65.2 | 47% | 0.472 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -72.1 | -44.7 | 176.6 | -63.4 | 72.5 | -159.2 | 0 | 0 | 111.5 | K64 T106 R110 A111 T112 | K64-E108 HydrophobicContact CG-CG 4.35Å; T106-E108 PolarHBondContact O-N 3.5Å; T106-E108 PolarHBondContact OG1-OE2 3.06Å; E108-R110 VanDerWaalsContact C-N 3.3Å; E108-R110 PolarHBondContact O-N 3.41Å; E108-A111 WeakPolarHBondContact O-CB 3.35Å; E108-A111 PolarHBondContact O-N 3.32Å; E108-A111 VanDerWaalsContact O-N 3.08Å; E108-T112 PolarHBondContact O-N 3.01Å; E108-T112 PolarHBondContact O-OG1 2.94Å |
| 109 | E | 98.2 | Very high | 96.3 | Very high | 100 Ų | 100 | 67.7 Ų | 67.7 | 47% | 0.467 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -61.8 | -39.3 | 176.5 | -73.9 | 174.4 | 155.9 | 0 | 0 | 111.5 | M105 T106 A111 T112 F113 | M105-E109 VanDerWaalsContact CA-OE2 3.3Å; M105-E109 WeakPolarHBondContact CA-OE2 3.44Å; M105-E109 HydrophobicContact CB-CB 3.75Å; M105-E109 HydrophobicContact CG-CB 4.07Å; M105-E109 HydrophobicContact SD-CB 4.35Å; T106-E109 PolarHBondContact N-OE2 3.38Å; T106-E109 PolarHBondContact O-N 3Å; T106-E109 WeakPolarHBondContact OG1-CG 3.34Å; T106-E109 PolarHBondContact OG1-N 3.02Å; E109-A111 VanDerWaalsContact C-N 3.29Å; E109-A111 PolarHBondContact O-N 3.31Å; E109-T112 PolarHBondContact O-N 2.75Å; E109-F113 WeakPolarHBondContact O-CB 3.49Å; E109-F113 PolarHBondContact O-N 2.95Å |
| 110 | R | 98.5 | Very high | 95.9 | Very high | 22 Ų | 22 | 68.5 Ų | 68.5 | 8% | 0.083 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -58.9 | -40.5 | 172.2 | -74.2 | 164.1 | 179.3 | 165 | 1.2 | 111.9 | Y61 F62 I63 T102 A103 M105 T106 E108 F113 L114 | Y61-R110 VanDerWaalsContact CD2-CZ 3.5Å; Y61-R110 VanDerWaalsContact CE2-NE 3.34Å; F62-R110 VanDerWaalsContact N-NH1 3.12Å; F62-R110 WeakPolarHBondContact O-CD 3.3Å; F62-R110 PolarHBondContact O-NH1 3.37Å; I63-R110 HydrophobicContact CB-CB 4.29Å; I63-R110 HydrophobicContact CD1-CB 4.22Å; I63-R110 HydrophobicContact CG1-CB 3.84Å; I63-R110 HydrophobicContact CG1-CG 4.4Å; I63-R110 HydrophobicContact CG2-CB 3.98Å; T102-R110 PolarHBondContact O-NE 3.33Å; T102-R110 VanDerWaalsContact O-NE 3.11Å; A103-R110 PolarHBondContact O-NH2 2.97Å; M105-R110 HydrophobicContact CB-CG 3.86Å; M105-R110 VanDerWaalsContact O-CZ 3.27Å; M105-R110 PolarHBondContact O-NE 3.47Å; M105-R110 PolarHBondContact O-NH2 3.14Å; T106-R110 VanDerWaalsContact O-CG 3.31Å; T106-R110 WeakPolarHBondContact O-CG 3.37Å; T106-R110 PolarHBondContact O-N 3.44Å; E108-R110 VanDerWaalsContact C-N 3.3Å; E108-R110 PolarHBondContact O-N 3.41Å; R110-F113 PolarHBondContact O-N 2.74Å; R110-L114 WeakPolarHBondContact O-CB 3.38Å; R110-L114 PolarHBondContact O-N 2.82Å |
| 111 | A | 97.4 | Very high | 95.6 | Very high | 1 Ų | 1 | 70 Ų | 70 | 1% | 0.008 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -66 | -48.4 | 177.9 | 0 | 0 | 0 | 0 | 0 | 111.3 | I63 K64 T66 P107 E108 E109 F113 L114 E115 | I63-A111 HydrophobicContact CG2-CB 4.19Å; K64-A111 HydrophobicContact CB-CB 4.06Å; K64-A111 WeakPolarHBondContact O-CB 3.46Å; T66-A111 HydrophobicContact CG2-CB 3.89Å; P107-A111 PolarHBondContact O-N 3.49Å; E108-A111 WeakPolarHBondContact O-CB 3.35Å; E108-A111 PolarHBondContact O-N 3.32Å; E108-A111 VanDerWaalsContact O-N 3.08Å; E109-A111 VanDerWaalsContact C-N 3.29Å; E109-A111 PolarHBondContact O-N 3.31Å; A111-F113 PolarHBondContact O-N 3.43Å; A111-L114 WeakPolarHBondContact O-CB 3.37Å; A111-L114 PolarHBondContact O-N 2.85Å; A111-L114 VanDerWaalsContact O-N 3.14Å; A111-E115 WeakPolarHBondContact O-CG 3.28Å; A111-E115 PolarHBondContact O-N 3.01Å |
| 112 | T | 97.6 | Very high | 95.2 | Very high | 62 Ų | 62 | 69.3 Ų | 69.3 | 38% | 0.38 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -62.1 | -31.8 | 175 | -59.6 | 0 | 0 | 0 | 0 | 112.6 | E108 E109 | E108-T112 PolarHBondContact O-N 3.01Å; E108-T112 PolarHBondContact O-OG1 2.94Å; E109-T112 PolarHBondContact O-N 2.75Å |
| 113 | F | 97.9 | Very high | 94.8 | Very high | 56 Ų | 56 | 73.2 Ų | 73.2 | 25% | 0.246 | 37% | 0.369 | C | S | . | . | H | α-helix | trans | -68.7 | -46.2 | 173.6 | -164.8 | -81.3 | 0 | 0 | 0 | 111 | F98 Q101 T102 M105 E109 R110 A111 E115 K116 D117 | F98-F113 AromaticContact CD2-CD1 3.73Å; F98-F113 HydrophobicContact CD2-CD1 3.73Å; F98-F113 AromaticContact CD2-CE1 3.91Å; F98-F113 HydrophobicContact CD2-CE1 3.91Å; F98-F113 AromaticContact CE2-CD1 3.64Å; F98-F113 HydrophobicContact CE2-CD1 3.64Å; F98-F113 HydrophobicContact CE2-CE1 4.3Å; Q101-F113 HydrophobicContact CB-CE1 4.48Å; Q101-F113 HydrophobicContact CB-CE2 4.4Å; Q101-F113 HydrophobicContact CB-CZ 3.94Å; T102-F113 HydrophobicContact CG2-CB 4.03Å; T102-F113 HydrophobicContact CG2-CD1 3.59Å; T102-F113 HydrophobicContact CG2-CD2 4.28Å; T102-F113 HydrophobicContact CG2-CE1 4.09Å; T102-F113 HydrophobicContact CG2-CG 3.69Å; M105-F113 HydrophobicContact CE-CD2 3.7Å; M105-F113 HydrophobicContact CE-CE2 4.14Å; M105-F113 HydrophobicContact CE-CG 4.49Å; M105-F113 HydrophobicContact SD-CB 4.18Å; M105-F113 HydrophobicContact SD-CD2 4.1Å; M105-F113 HydrophobicContact SD-CG 4.34Å; E109-F113 WeakPolarHBondContact O-CB 3.49Å; E109-F113 PolarHBondContact O-N 2.95Å; R110-F113 PolarHBondContact O-N 2.74Å; A111-F113 PolarHBondContact O-N 3.43Å; F113-E115 VanDerWaalsContact C-N 3.32Å; F113-E115 PolarHBondContact O-N 2.52Å; F113-K116 PolarHBondContact O-N 3.15Å; F113-K116 VanDerWaalsContact O-N 3.07Å; F113-D117 PolarHBondContact O-N 2.93Å |
| 114 | L | 96.6 | Very high | 94.5 | Very high | 12 Ų | 12 | 73.8 Ų | 73.8 | 6% | 0.063 | 36% | 0.362 | C | S | . | . | H | α-helix | trans | -60 | -38.7 | 177.5 | -177.4 | 62.3 | 0 | 0 | 0 | 112.7 | I67 I74 I77 F98 R110 A111 K116 D117 I120 | I67-L114 HydrophobicContact CD1-CG 4.21Å; I74-L114 HydrophobicContact CD1-CD2 4.49Å; I74-L114 HydrophobicContact CG1-CD2 3.97Å; I77-L114 HydrophobicContact CD1-CD1 4.04Å; I77-L114 HydrophobicContact CD1-CD2 4.3Å; F98-L114 HydrophobicContact CE2-CB 3.93Å; F98-L114 HydrophobicContact CE2-CD1 3.89Å; F98-L114 HydrophobicContact CZ-CB 4.05Å; F98-L114 HydrophobicContact CZ-CD1 4.12Å; R110-L114 WeakPolarHBondContact O-CB 3.38Å; R110-L114 PolarHBondContact O-N 2.82Å; A111-L114 WeakPolarHBondContact O-CB 3.37Å; A111-L114 PolarHBondContact O-N 2.85Å; A111-L114 VanDerWaalsContact O-N 3.14Å; L114-K116 PolarHBondContact O-N 3.12Å; L114-D117 PolarHBondContact O-N 2.76Å; L114-D117 VanDerWaalsContact O-N 3.15Å; L114-I120 HydrophobicContact CD1-CB 4.15Å; L114-I120 HydrophobicContact CD1-CD1 3.93Å; L114-I120 HydrophobicContact CD1-CG2 3.71Å |
| 115 | E | 94.4 | Very high | 94.1 | Very high | 89 Ų | 89 | 68.9 Ų | 68.9 | 42% | 0.416 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -56.7 | -30 | 174.5 | -74.8 | 167.6 | -168.6 | 0 | 0 | 113.5 | T66 I67 A111 F113 | T66-E115 WeakPolarHBondContact CB-OE1 3.36Å; T66-E115 PolarHBondContact OG1-OE1 3.18Å; I67-E115 HydrophobicContact CD1-CB 4.34Å; I67-E115 HydrophobicContact CD1-CG 3.76Å; I67-E115 HydrophobicContact CG1-CG 3.6Å; A111-E115 WeakPolarHBondContact O-CG 3.28Å; A111-E115 PolarHBondContact O-N 3.01Å; F113-E115 VanDerWaalsContact C-N 3.32Å; F113-E115 PolarHBondContact O-N 2.52Å |
| 116 | K | 94.4 | Very high | 93.7 | Very high | 159 Ų | 159 | 69.9 Ų | 69.9 | 69% | 0.691 | 36% | 0.355 | S | S | * | . | H | α-helix | trans | -99.2 | -5.8 | -177.3 | -62.5 | 173.8 | -174.3 | 173.1 | 0 | 112.7 | F113 L114 E118 | F113-K116 PolarHBondContact O-N 3.15Å; F113-K116 VanDerWaalsContact O-N 3.07Å; L114-K116 PolarHBondContact O-N 3.12Å; K116-E118 PolarHBondContact O-N 3.3Å |
| 117 | D | 93.1 | Very high | 93.4 | Very high | 25 Ų | 25 | 69.8 Ų | 69.8 | 13% | 0.134 | 36% | 0.357 | C | S | . | . | trans | -82.6 | 96 | -178.3 | -164.9 | -56.3 | 0 | 0 | 0 | 110.5 | F113 L114 S119 I120 R121 | F113-D117 PolarHBondContact O-N 2.93Å; L114-D117 PolarHBondContact O-N 2.76Å; L114-D117 VanDerWaalsContact O-N 3.15Å; D117-S119 VanDerWaalsContact C-N 3.26Å; D117-S119 PolarHBondContact O-N 3.31Å; D117-S119 WeakPolarHBondContact OD1-CA 3.49Å; D117-S119 WeakPolarHBondContact OD1-CB 3.4Å; D117-S119 PolarHBondContact OD1-N 3.12Å; D117-I120 HydrophobicContact CB-CB 4.45Å; D117-I120 PolarHBondContact OD1-N 2.93Å; D117-R121 WeakPolarHBondContact O-CB 3.11Å; D117-R121 PolarHBondContact O-N 3.49Å; D117-R121 VanDerWaalsContact O-N 3.09Å | ||
| 118 | E | 90.9 | Very high | 93 | Very high | 144 Ų | 144 | 70.4 Ų | 70.4 | 67% | 0.673 | 37% | 0.365 | S | S | * | . | H | α-helix | trans | -63.2 | -31.9 | 178.5 | -67.7 | -172.8 | 160.2 | 0 | 0 | 112.8 | K116 R121 V122 | K116-E118 PolarHBondContact O-N 3.3Å; E118-R121 PolarHBondContact O-N 3.37Å; E118-V122 WeakPolarHBondContact O-CB 3.47Å; E118-V122 VanDerWaalsContact O-CG2 3.25Å; E118-V122 WeakPolarHBondContact O-CG2 3.21Å; E118-V122 PolarHBondContact O-N 3.41Å |
| 119 | S | 91 | Very high | 92.5 | Very high | 52 Ų | 52 | 72 Ų | 72 | 36% | 0.364 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -65.9 | -49.1 | -177.7 | -174.7 | 0 | 0 | 0 | 0 | 110.5 | P94 D117 T123 | P94-S119 WeakPolarHBondContact CB-OG 3.42Å; D117-S119 VanDerWaalsContact C-N 3.26Å; D117-S119 PolarHBondContact O-N 3.31Å; D117-S119 WeakPolarHBondContact OD1-CA 3.49Å; D117-S119 WeakPolarHBondContact OD1-CB 3.4Å; D117-S119 PolarHBondContact OD1-N 3.12Å; S119-T123 PolarHBondContact O-N 2.94Å; S119-T123 VanDerWaalsContact O-N 3.13Å; S119-T123 PolarHBondContact O-OG1 3.08Å |
| 120 | I | 90.1 | Very high | 92.2 | Very high | 20 Ų | 20 | 73.1 Ų | 73.1 | 10% | 0.103 | 38% | 0.378 | C | S | . | . | H | α-helix | trans | -68.1 | -39.6 | 178.7 | -65.4 | 176.1 | 0 | 0 | 0 | 110.3 | T73 I77 F98 L114 D117 T123 H124 | T73-I120 HydrophobicContact CG2-CG2 3.59Å; I77-I120 HydrophobicContact CD1-CD1 4.46Å; F98-I120 HydrophobicContact CB-CD1 3.83Å; F98-I120 HydrophobicContact CD1-CD1 4.18Å; F98-I120 HydrophobicContact CD2-CD1 3.46Å; F98-I120 VanDerWaalsContact CD2-CD1 3.46Å; F98-I120 HydrophobicContact CE2-CD1 4.03Å; F98-I120 HydrophobicContact CG-CD1 3.55Å; L114-I120 HydrophobicContact CD1-CB 4.15Å; L114-I120 HydrophobicContact CD1-CD1 3.93Å; L114-I120 HydrophobicContact CD1-CG2 3.71Å; D117-I120 HydrophobicContact CB-CB 4.45Å; D117-I120 PolarHBondContact OD1-N 2.93Å; I120-T123 PolarHBondContact O-N 3Å; I120-H124 WeakPolarHBondContact O-CB 3.43Å; I120-H124 PolarHBondContact O-N 2.98Å |
| 121 | R | 89.3 | Confident | 91.8 | Very high | 123 Ų | 123 | 75.6 Ų | 75.6 | 46% | 0.464 | 41% | 0.41 | S | S | . | . | H | α-helix | trans | -59.3 | -48.8 | 177.9 | -171.4 | -171.3 | 65.5 | 70.3 | 1.9 | 112.1 | D117 E118 H124 E125 | D117-R121 WeakPolarHBondContact O-CB 3.11Å; D117-R121 PolarHBondContact O-N 3.49Å; D117-R121 VanDerWaalsContact O-N 3.09Å; E118-R121 PolarHBondContact O-N 3.37Å; R121-H124 PolarHBondContact O-N 3.24Å; R121-E125 IonicContact NH1-OE2 3.05Å; R121-E125 PolarHBondContact NH1-OE2 3.43Å; R121-E125 WeakPolarHBondContact O-CB 3.08Å; R121-E125 PolarHBondContact O-N 2.79Å |
| 122 | V | 88.6 | Confident | 91.2 | Very high | 77 Ų | 77 | 85.4 Ų | 85.4 | 47% | 0.467 | 46% | 0.455 | S | S | . | . | H | α-helix | trans | -65.9 | -40.6 | -180 | 170.7 | 0 | 0 | 0 | 0 | 111.1 | E118 E125 S126 | E118-V122 WeakPolarHBondContact O-CB 3.47Å; E118-V122 VanDerWaalsContact O-CG2 3.25Å; E118-V122 WeakPolarHBondContact O-CG2 3.21Å; E118-V122 PolarHBondContact O-N 3.41Å; V122-E125 PolarHBondContact O-N 2.95Å; V122-S126 WeakPolarHBondContact O-CB 3.41Å; V122-S126 PolarHBondContact O-N 2.91Å |
| 123 | T | 90.6 | Very high | 90.7 | Very high | 82 Ų | 82 | 87.9 Ų | 87.9 | 50% | 0.503 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -62.9 | -44.1 | 174.8 | -58.9 | 0 | 0 | 0 | 0 | 111.6 | S119 I120 E125 S126 S127 | S119-T123 PolarHBondContact O-N 2.94Å; S119-T123 VanDerWaalsContact O-N 3.13Å; S119-T123 PolarHBondContact O-OG1 3.08Å; I120-T123 PolarHBondContact O-N 3Å; T123-E125 PolarHBondContact O-N 3.2Å; T123-S126 PolarHBondContact O-N 2.71Å; T123-S127 WeakPolarHBondContact O-CB 3.47Å; T123-S127 PolarHBondContact O-N 2.59Å; T123-S127 PolarHBondContact O-OG 3.33Å |
| 124 | H | 90.2 | Very high | 90 | Very high | 66 Ų | 66 | 93.7 Ų | 93.7 | 31% | 0.306 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -59.3 | -46.7 | 175.7 | 173.7 | 79.4 | 0 | 0 | 0 | 112 | T73 I120 R121 S126 S127 A128 | T73-H124 PolarHBondContact OG1-ND1 3.34Å; I120-H124 WeakPolarHBondContact O-CB 3.43Å; I120-H124 PolarHBondContact O-N 2.98Å; R121-H124 PolarHBondContact O-N 3.24Å; H124-S126 PolarHBondContact O-N 2.83Å; H124-S127 PolarHBondContact O-N 2.97Å; H124-A128 WeakPolarHBondContact O-CB 3.43Å; H124-A128 PolarHBondContact O-N 3.49Å |
| 125 | E | 88.1 | Confident | 89.5 | Confident | 108 Ų | 108 | 94.7 Ų | 94.7 | 51% | 0.505 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -62.1 | -42.2 | 179.3 | -175.1 | 171.1 | -164.5 | 0 | 0 | 111.9 | R121 V122 T123 A128 | R121-E125 IonicContact NH1-OE2 3.05Å; R121-E125 PolarHBondContact NH1-OE2 3.43Å; R121-E125 WeakPolarHBondContact O-CB 3.08Å; R121-E125 PolarHBondContact O-N 2.79Å; V122-E125 PolarHBondContact O-N 2.95Å; T123-E125 PolarHBondContact O-N 3.2Å; E125-A128 PolarHBondContact O-N 3.26Å |
| 126 | S | 89.7 | Confident | 89.1 | Confident | 72 Ų | 72 | 94.1 Ų | 94.1 | 50% | 0.503 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -62.2 | -49.5 | 174.2 | -174.5 | 0 | 0 | 0 | 0 | 111.7 | V122 T123 H124 A128 Q129 | V122-S126 WeakPolarHBondContact O-CB 3.41Å; V122-S126 PolarHBondContact O-N 2.91Å; T123-S126 PolarHBondContact O-N 2.71Å; H124-S126 PolarHBondContact O-N 2.83Å; S126-A128 VanDerWaalsContact C-N 3.25Å; S126-A128 PolarHBondContact O-N 2.84Å; S126-Q129 WeakPolarHBondContact O-CB 3.38Å; S126-Q129 PolarHBondContact O-N 3.03Å; S126-Q129 VanDerWaalsContact O-N 3.08Å |
| 127 | S | 89.7 | Confident | 88.6 | Confident | 60 Ų | 60 | 89.9 Ų | 89.9 | 42% | 0.42 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -67.2 | -25.8 | -179.2 | -63.6 | 0 | 0 | 0 | 0 | 113 | T123 H124 Q129 E130 | T123-S127 WeakPolarHBondContact O-CB 3.47Å; T123-S127 PolarHBondContact O-N 2.59Å; T123-S127 PolarHBondContact O-OG 3.33Å; H124-S127 PolarHBondContact O-N 2.97Å; S127-Q129 PolarHBondContact O-N 3.37Å; S127-E130 WeakPolarHBondContact O-CB 3.34Å; S127-E130 PolarHBondContact O-N 2.94Å; S127-E130 VanDerWaalsContact O-N 3.12Å |
| 128 | A | 88.2 | Confident | 87.9 | Confident | 48 Ų | 48 | 96.4 Ų | 96.4 | 40% | 0.397 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -67 | -21 | 173.6 | 0 | 0 | 0 | 0 | 0 | 113.1 | H124 E125 S126 E130 A135 | H124-A128 WeakPolarHBondContact O-CB 3.43Å; H124-A128 PolarHBondContact O-N 3.49Å; E125-A128 PolarHBondContact O-N 3.26Å; S126-A128 VanDerWaalsContact C-N 3.25Å; S126-A128 PolarHBondContact O-N 2.84Å; A128-E130 VanDerWaalsContact C-N 3.34Å; A128-A135 WeakPolarHBondContact O-CB 3.43Å |
| 129 | Q | 88.5 | Confident | 87.3 | Confident | 135 Ų | 135 | 96.9 Ų | 96.9 | 63% | 0.631 | 54% | 0.544 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -88.2 | -2.6 | 173.9 | -56.2 | -57.2 | -55.8 | 0 | 0 | 112.9 | S126 S127 | S126-Q129 WeakPolarHBondContact O-CB 3.38Å; S126-Q129 PolarHBondContact O-N 3.03Å; S126-Q129 VanDerWaalsContact O-N 3.08Å; S127-Q129 PolarHBondContact O-N 3.37Å |
| 130 | E | 90.4 | Very high | 86.8 | Confident | 123 Ų | 123 | 100 Ų | 100 | 58% | 0.575 | 55% | 0.553 | S | S | * | * | trans | -91.2 | 179.2 | 176.1 | -61.5 | 174 | -150.7 | 0 | 0 | 111 | S127 A128 | S127-E130 WeakPolarHBondContact O-CB 3.34Å; S127-E130 PolarHBondContact O-N 2.94Å; S127-E130 VanDerWaalsContact O-N 3.12Å; A128-E130 VanDerWaalsContact C-N 3.34Å | ||
| 131 | G | 90.1 | Very high | 86.2 | Confident | 74 Ų | 74 | 107.8 Ų | 107.8 | 76% | 0.763 | 59% | 0.586 | S | S | * | * | S | Bend | trans | 97.3 | -175.3 | 178.7 | 0 | 0 | 0 | 0 | 0 | 113.5 | ||
| 132 | Q | 85.3 | Confident | 85.8 | Confident | 206 Ų | 206 | 105 Ų | 105 | 96% | 0.963 | 58% | 0.583 | S | S | * | * | S | Bend | trans | -90.6 | -2 | -175.5 | -63.3 | 177 | 1.4 | 0 | 0 | 113.1 | ||
| 133 | T | 87.2 | Confident | 85.9 | Confident | 115 Ų | 115 | 105.7 Ų | 105.7 | 71% | 0.706 | 58% | 0.584 | S | S | * | * | S | Bend | trans | -126.6 | 144.3 | -178.2 | 55.4 | 0 | 0 | 0 | 0 | 109.8 | ||
| 134 | E | 83.8 | Confident | 86.1 | Confident | 177 Ų | 177 | 104.6 Ų | 104.6 | 83% | 0.827 | 57% | 0.574 | S | S | * | * | P | Polyproline II helix | trans | -61.3 | 142.1 | 171.1 | -65.3 | -68.4 | 146.9 | 0 | 0 | 110.8 | ||
| 135 | A | 86.8 | Confident | 86.4 | Confident | 33 Ų | 33 | 101.8 Ų | 101.8 | 27% | 0.273 | 56% | 0.561 | S | S | . | * | P | Polyproline II helix | trans | -62.9 | 130.7 | 173.7 | 0 | 0 | 0 | 0 | 0 | 109.9 | A128 | A128-A135 WeakPolarHBondContact O-CB 3.43Š|
| 136 | P | 84.7 | Confident | 86.9 | Confident | 77 Ų | 77 | 99.2 Ų | 99.2 | 50% | 0.5 | 55% | 0.549 | S | S | . | . | P | Polyproline II helix | trans | -65.2 | 165.6 | 175 | 28.8 | -34.7 | 0 | 0 | 0 | 110.8 | E140 | P136-E140 HydrophobicContact CB-CB 4.26Å; P136-E140 WeakPolarHBondContact CB-OE2 3.4Å |
| 137 | S | 84.3 | Confident | 87.3 | Confident | 70 Ų | 70 | 95.9 Ų | 95.9 | 49% | 0.49 | 53% | 0.525 | S | S | . | . | P | Polyproline II helix | trans | -66.3 | 152.4 | 173.6 | 93.1 | 0 | 0 | 0 | 0 | 110.6 | D139 E140 | S137-D139 PolarHBondContact O-N 3.48Å; S137-D139 VanDerWaalsContact O-N 3.14Å; S137-D139 PolarHBondContact OG-N 2.83Å; S137-E140 WeakPolarHBondContact O-CB 3.33Å; S137-E140 PolarHBondContact O-N 3.4Å; S137-E140 VanDerWaalsContact O-N 3.1Å; S137-E140 PolarHBondContact OG-N 2.89Å |
| 138 | L | 79 | Confident | 87.8 | Confident | 163 Ų | 163 | 93 Ų | 93 | 85% | 0.853 | 51% | 0.505 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.9 | -21.6 | 177.7 | -66.9 | 174.9 | 0 | 0 | 0 | 113.3 | ||
| 139 | D | 77.6 | Confident | 88.3 | Confident | 153 Ų | 153 | 90.7 Ų | 90.7 | 82% | 0.818 | 49% | 0.486 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -89.8 | -7.7 | -179.4 | -60.5 | -46.1 | 0 | 0 | 0 | 112.8 | S137 | S137-D139 PolarHBondContact O-N 3.48Å; S137-D139 VanDerWaalsContact O-N 3.14Å; S137-D139 PolarHBondContact OG-N 2.83Å |
| 140 | E | 81.4 | Confident | 88.8 | Confident | 117 Ų | 117 | 84.3 Ų | 84.3 | 55% | 0.547 | 46% | 0.456 | S | S | . | . | S | Bend | trans | -72.4 | 134.2 | 179.3 | -167.5 | 169.3 | 172.4 | 0 | 0 | 111.2 | P136 S137 V142 | P136-E140 HydrophobicContact CB-CB 4.26Å; P136-E140 WeakPolarHBondContact CB-OE2 3.4Å; S137-E140 WeakPolarHBondContact O-CB 3.33Å; S137-E140 PolarHBondContact O-N 3.4Å; S137-E140 VanDerWaalsContact O-N 3.1Å; S137-E140 PolarHBondContact OG-N 2.89Å; E140-V142 PolarHBondContact O-N 3.25Å |
| 141 | K | 77.4 | Confident | 89.1 | Confident | 184 Ų | 184 | 79.7 Ų | 79.7 | 80% | 0.8 | 44% | 0.436 | S | S | * | . | trans | -74.7 | 101.1 | 179.6 | -71.1 | -173.7 | -179.9 | -178.3 | 0 | 110.4 | N143 | K141-N143 PolarHBondContact O-N 2.94Š| ||
| 142 | V | 80.4 | Confident | 89.5 | Confident | 65 Ų | 65 | 76.9 Ų | 76.9 | 39% | 0.394 | 40% | 0.404 | S | S | . | . | trans | -79.8 | 116.1 | 170.6 | -177 | 0 | 0 | 0 | 0 | 109.4 | E140 L144 | E140-V142 PolarHBondContact O-N 3.25Å; V142-L144 HydrophobicContact CG1-CB 4.46Å | ||
| 143 | N | 90.3 | Very high | 90 | Very high | 91 Ų | 91 | 70.7 Ų | 70.7 | 49% | 0.487 | 40% | 0.395 | S | S | . | . | trans | -105.7 | 15 | 175.9 | -70.6 | -21.4 | 0 | 0 | 0 | 112.4 | P33 V34 K141 | P33-N143 CarbonylContact C-O 3.56Å; P33-N143 VanDerWaalsContact CA-O 3.26Å; P33-N143 WeakPolarHBondContact CA-O 3.45Å; V34-N143 PolarHBondContact N-O 3.2Å; K141-N143 PolarHBondContact O-N 2.94Å | ||
| 144 | L | 94.8 | Very high | 90.5 | Very high | 59 Ų | 59 | 66.7 Ų | 66.7 | 31% | 0.309 | 38% | 0.376 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.9 | 147.1 | 174.3 | -57.5 | -179.2 | 0 | 0 | 0 | 109.8 | L31 F32 P33 V142 R197 | L31-L144 HydrophobicContact CD1-CB 3.75Å; L31-L144 HydrophobicContact CD2-CD1 4.2Å; L31-L144 HydrophobicContact CG-CB 4.24Å; F32-L144 CarbonylContact O-C 3.56Å; F32-L144 WeakPolarHBondContact O-CA 3.29Å; P33-L144 HydrophobicContact CB-CD2 3.73Å; V142-L144 HydrophobicContact CG1-CB 4.46Å; L144-R197 HydrophobicContact CD2-CB 4.08Å |
| 145 | H | 97.3 | Very high | 91.2 | Very high | 7 Ų | 7 | 61.4 Ų | 61.4 | 3% | 0.032 | 35% | 0.352 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.2 | 135.1 | -174.1 | -175.1 | 56.8 | 0 | 0 | 0 | 112 | L31 F32 V34 Q65 C71 D160 R162 | L31-H145 WeakPolarHBondContact CA-O 3.35Å; F32-H145 WeakPolarHBondContact CD1-O 3.23Å; F32-H145 HydrophobicContact CE1-CB 4.4Å; F32-H145 AromaticContact CE1-CD2 3.9Å; F32-H145 HydrophobicContact CZ-CB 4.37Å; F32-H145 AromaticContact CZ-CD2 3.84Å; F32-H145 PolarHBondContact N-O 3.49Å; F32-H145 PolarHBondContact O-N 3.34Å; V34-H145 HydrophobicContact CG2-CB 3.49Å; V34-H145 VanDerWaalsContact CG2-CB 3.49Å; Q65-H145 PolarHBondContact OE1-CE1 3.37Å; C71-H145 VanDerWaalsContact CB-CE1 3.49Å; C71-H145 WeakPolarHBondContact CB-CE1 3.28Å; C71-H145 VanDerWaalsContact CB-ND1 3.26Å; C71-H145 WeakPolarHBondContact CB-ND1 3.35Å; H145-D160 IonicContact CD2-OD1 3.44Å; H145-D160 IonicContact CD2-OD2 3.78Å; H145-D160 IonicContact CE1-OD1 3.6Å; H145-D160 VanDerWaalsContact NE2-CG 3.35Å; H145-D160 IonicContact NE2-OD1 3.48Å; H145-D160 PolarHBondContact NE2-OD1 3.01Å; H145-D160 IonicContact NE2-OD2 3.61Å; H145-R162 WeakPolarHBondContact CE1-CD 3.47Å; H145-R162 WeakPolarHBondContact NE2-CD 3.47Å |
| 146 | F | 98.3 | Very high | 91.7 | Very high | 55 Ų | 55 | 60 Ų | 60 | 24% | 0.241 | 34% | 0.34 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.6 | 138 | 174.1 | -82 | -76.1 | 0 | 0 | 0 | 111.6 | L29 L30 L31 C71 | L29-F146 HydrophobicContact CB-CD1 4.47Å; L30-F146 WeakPolarHBondContact O-CA 3.36Å; L31-F146 HydrophobicContact CB-CD1 3.94Å; L31-F146 HydrophobicContact CB-CE1 3.62Å; L31-F146 HydrophobicContact CB-CZ 3.94Å; L31-F146 HydrophobicContact CD1-CD1 4.18Å; L31-F146 HydrophobicContact CD1-CD2 3.65Å; L31-F146 HydrophobicContact CD1-CE1 4.17Å; L31-F146 HydrophobicContact CD1-CE2 3.62Å; L31-F146 HydrophobicContact CD1-CG 3.94Å; L31-F146 HydrophobicContact CD1-CZ 3.88Å; L31-F146 HydrophobicContact CD2-CE1 4.49Å; L31-F146 HydrophobicContact CD2-CE2 4.26Å; L31-F146 HydrophobicContact CD2-CZ 3.95Å; L31-F146 HydrophobicContact CG-CE1 4.3Å; L31-F146 HydrophobicContact CG-CE2 4.35Å; L31-F146 HydrophobicContact CG-CZ 4.14Å; C71-F146 HydrophobicContact CB-CB 4.2Å |
| 147 | I | 98.7 | Very high | 92.4 | Very high | 1 Ų | 1 | 56.4 Ų | 56.4 | 1% | 0.005 | 32% | 0.316 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.4 | 159.4 | 167.5 | 62 | 176 | 0 | 0 | 0 | 110.1 | L29 L30 F32 F149 E158 D160 F188 | L29-I147 VanDerWaalsContact CA-O 3.32Å; L29-I147 WeakPolarHBondContact CA-O 3.48Å; L30-I147 HydrophobicContact CB-CG1 3.98Å; L30-I147 HydrophobicContact CD2-CD1 4.14Å; L30-I147 HydrophobicContact CD2-CG1 4.44Å; L30-I147 PolarHBondContact N-O 3.28Å; L30-I147 PolarHBondContact O-N 2.88Å; F32-I147 HydrophobicContact CD1-CD1 4.29Å; F32-I147 HydrophobicContact CD1-CG1 4.31Å; F32-I147 HydrophobicContact CE1-CB 4.45Å; F32-I147 HydrophobicContact CE1-CD1 3.79Å; F32-I147 HydrophobicContact CE1-CG1 3.93Å; F32-I147 HydrophobicContact CE1-CG2 3.77Å; F32-I147 HydrophobicContact CZ-CG2 4.45Å; I147-F149 HydrophobicContact CD1-CE2 4.04Å; I147-F149 HydrophobicContact CD1-CZ 3.75Å; I147-F149 HydrophobicContact CG1-CE2 4.22Å; I147-F149 HydrophobicContact CG1-CZ 4.41Å; I147-E158 HydrophobicContact CD1-CG 3.93Å; I147-D160 HydrophobicContact CB-CB 4.44Å; I147-D160 HydrophobicContact CG2-CB 3.52Å; I147-F188 HydrophobicContact CD1-CE1 3.85Å; I147-F188 HydrophobicContact CD1-CE2 4.32Å; I147-F188 HydrophobicContact CD1-CZ 3.63Å |
| 148 | A | 98.9 | Very high | 93.1 | Very high | 0 Ų | 0 | 53.1 Ų | 53.1 | 0% | 0 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.2 | 142.6 | 178.7 | 0 | 0 | 0 | 0 | 0 | 112 | V28 L29 H78 L159 | V28-A148 CarbonylContact O-C 3.57Å; V28-A148 WeakPolarHBondContact O-CA 3.41Å; L29-A148 HydrophobicContact CD1-CB 3.87Å; L29-A148 HydrophobicContact CG-CB 4.42Å; H78-A148 HydrophobicContact CB-CB 3.92Å; A148-L159 HydrophobicContact CB-CB 4.45Å; A148-L159 PolarHBondContact N-O 2.97Å; A148-L159 VanDerWaalsContact N-O 3.15Å; A148-L159 PolarHBondContact O-N 2.9Å |
| 149 | F | 98.9 | Very high | 94 | Very high | 0 Ų | 0 | 45.4 Ų | 45.4 | 0% | 0 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.7 | 129 | 169.9 | -62 | -79.4 | 0 | 0 | 0 | 109.9 | A27 V28 L30 I147 L156 Y157 E158 A181 V184 F188 | A27-F149 WeakPolarHBondContact CA-O 3.34Å; V28-F149 HydrophobicContact CB-CB 4.31Å; V28-F149 PolarHBondContact N-O 2.81Å; V28-F149 PolarHBondContact O-N 3.29Å; L30-F149 HydrophobicContact CB-CE2 3.89Å; L30-F149 HydrophobicContact CD2-CE2 4.27Å; I147-F149 HydrophobicContact CD1-CE2 4.04Å; I147-F149 HydrophobicContact CD1-CZ 3.75Å; I147-F149 HydrophobicContact CG1-CE2 4.22Å; I147-F149 HydrophobicContact CG1-CZ 4.41Å; F149-L156 HydrophobicContact CB-CD1 4.12Å; F149-Y157 VanDerWaalsContact CA-O 3.25Å; F149-Y157 WeakPolarHBondContact CA-O 3.43Å; F149-E158 HydrophobicContact CD1-CB 3.94Å; F149-E158 HydrophobicContact CD1-CG 4.31Å; F149-E158 HydrophobicContact CE1-CB 3.66Å; F149-E158 HydrophobicContact CE1-CG 3.7Å; F149-E158 HydrophobicContact CZ-CG 4.21Å; F149-A181 HydrophobicContact CB-CB 3.78Å; F149-A181 HydrophobicContact CD2-CB 4.37Å; F149-A181 HydrophobicContact CG-CB 4.06Å; F149-V184 HydrophobicContact CE1-CB 3.97Å; F149-V184 HydrophobicContact CE1-CG1 3.54Å; F149-V184 HydrophobicContact CZ-CB 4.24Å; F149-V184 HydrophobicContact CZ-CG1 3.8Å; F149-F188 HydrophobicContact CZ-CE2 4.44Å |
| 150 | V | 98.8 | Very high | 95 | Very high | 0 Ų | 0 | 38.2 Ų | 38.2 | 0% | 0 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.1 | 152.4 | -176.9 | -63.5 | 0 | 0 | 0 | 0 | 111.7 | A27 N82 V152 Y157 L159 | A27-V150 HydrophobicContact CB-CG1 4.05Å; N82-V150 HydrophobicContact CB-CB 4.22Å; N82-V150 HydrophobicContact CB-CG1 4.26Å; N82-V150 HydrophobicContact CB-CG2 3.98Å; V150-V152 HydrophobicContact CG2-CG2 3.98Å; V150-Y157 PolarHBondContact N-O 2.97Å; V150-Y157 PolarHBondContact O-N 2.84Å; V150-L159 HydrophobicContact CG1-CD1 4.48Å; V150-L159 HydrophobicContact CG2-CD1 3.59Å; V150-L159 HydrophobicContact CG2-CG 4.17Å |
| 151 | N | 98.3 | Very high | 95.7 | Very high | 27 Ų | 27 | 32.7 Ų | 32.7 | 14% | 0.144 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.6 | 115.3 | 169.1 | 176.8 | 8.5 | 0 | 0 | 0 | 109.6 | G154 Q155 T172 E174 L177 | N151-G154 WeakPolarHBondContact OD1-CA 3.47Å; N151-G154 PolarHBondContact OD1-N 2.99Å; N151-Q155 WeakPolarHBondContact CA-O 3.49Å; N151-Q155 PolarHBondContact OD1-N 2.98Å; N151-T172 HydrophobicContact CB-CG2 3.71Å; N151-E174 PolarHBondContact ND2-N 2.63Å; N151-L177 HydrophobicContact CB-CD1 4.19Å; N151-L177 HydrophobicContact CB-CD2 4.31Å |
| 152 | V | 97.8 | Very high | 96.6 | Very high | 15 Ų | 15 | 27.6 Ų | 27.6 | 9% | 0.091 | 17% | 0.165 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.9 | 118.8 | 171.3 | -177.9 | 0 | 0 | 0 | 0 | 108.7 | D59 V60 N82 V150 G154 Q155 Y157 | D59-V152 HydrophobicContact CB-CG1 4.12Å; V60-V152 HydrophobicContact CG2-CB 4.01Å; V60-V152 HydrophobicContact CG2-CG1 3.85Å; V60-V152 HydrophobicContact CG2-CG2 4.28Å; N82-V152 HydrophobicContact CB-CG2 3.92Å; V150-V152 HydrophobicContact CG2-CG2 3.98Å; V152-G154 VanDerWaalsContact C-N 3.25Å; V152-G154 PolarHBondContact O-N 3.45Å; V152-Q155 PolarHBondContact N-O 3.35Å; V152-Q155 PolarHBondContact O-N 3.33Å; V152-Y157 HydrophobicContact CB-CD2 3.8Å; V152-Y157 HydrophobicContact CB-CE2 3.83Å; V152-Y157 HydrophobicContact CG2-CD2 4.29Å; V152-Y157 WeakPolarHBondContact O-CE2 3.32Å |
| 153 | G | 95.9 | Very high | 97.3 | Very high | 75 Ų | 75 | 24.7 Ų | 24.7 | 77% | 0.773 | 15% | 0.147 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 61.3 | 29.9 | 179.5 | 0 | 0 | 0 | 0 | 0 | 114.4 | Q155 | G153-Q155 VanDerWaalsContact C-N 3.33Š|
| 154 | G | 97.1 | Very high | 97.5 | Very high | 31 Ų | 31 | 22.3 Ų | 22.3 | 32% | 0.32 | 14% | 0.136 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 77.9 | 15.7 | -178.9 | 0 | 0 | 0 | 0 | 0 | 114.1 | N151 V152 K171 T172 | N151-G154 WeakPolarHBondContact OD1-CA 3.47Å; N151-G154 PolarHBondContact OD1-N 2.99Å; V152-G154 VanDerWaalsContact C-N 3.25Å; V152-G154 PolarHBondContact O-N 3.45Å; G154-K171 WeakPolarHBondContact O-CA 3.24Å; G154-T172 CarbonylContact C-O 3.51Å; G154-T172 WeakPolarHBondContact CA-O 3.27Å; G154-T172 PolarHBondContact O-N 3.22Å; G154-T172 VanDerWaalsContact O-O 3.13Å |
| 155 | Q | 97.9 | Very high | 97.4 | Very high | 67 Ų | 67 | 20.7 Ų | 20.7 | 31% | 0.313 | 13% | 0.127 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.2 | 139.5 | 176.2 | -68.4 | -175.1 | 94.5 | 0 | 0 | 110.9 | N151 V152 G153 Y157 V168 G170 | N151-Q155 WeakPolarHBondContact CA-O 3.49Å; N151-Q155 PolarHBondContact OD1-N 2.98Å; V152-Q155 PolarHBondContact N-O 3.35Å; V152-Q155 PolarHBondContact O-N 3.33Å; G153-Q155 VanDerWaalsContact C-N 3.33Å; Q155-Y157 HydrophobicContact CB-CD2 4.25Å; Q155-Y157 HydrophobicContact CB-CE2 3.67Å; Q155-Y157 PolarHBondContact NE2-OH 2.94Å; Q155-Y157 WeakPolarHBondContact O-CD2 3.49Å; Q155-Y157 PolarHBondContact O-N 3.45Å; Q155-V168 HydrophobicContact CB-CG1 4.38Å; Q155-G170 CarbonylContact C-O 3.45Å; Q155-G170 VanDerWaalsContact CA-O 3.26Å; Q155-G170 WeakPolarHBondContact CA-O 3.26Å |
| 156 | L | 98.6 | Very high | 97.4 | Very high | 4 Ų | 4 | 20.9 Ų | 20.9 | 2% | 0.021 | 13% | 0.128 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.4 | 115.1 | 175.3 | 179.9 | 60.7 | 0 | 0 | 0 | 109.1 | F149 H169 G170 T172 L177 D180 A181 V184 | F149-L156 HydrophobicContact CB-CD1 4.12Å; L156-H169 HydrophobicContact CB-CB 4.27Å; L156-H169 HydrophobicContact CD2-CB 3.84Å; L156-H169 HydrophobicContact CG-CB 4.04Å; L156-H169 PolarHBondContact O-N 2.76Å; L156-G170 PolarHBondContact N-O 2.97Å; L156-T172 HydrophobicContact CB-CG2 3.87Å; L156-L177 HydrophobicContact CD1-CD1 3.62Å; L156-D180 HydrophobicContact CD2-CB 4.03Å; L156-A181 HydrophobicContact CD1-CB 4.32Å; L156-V184 HydrophobicContact CD2-CG2 3.72Å |
| 157 | Y | 98.5 | Very high | 97.3 | Very high | 0 Ų | 0 | 18.5 Ų | 18.5 | 0% | 0 | 12% | 0.118 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.6 | 130.7 | 176 | -73.5 | -86.5 | 0 | 0 | 0 | 110.8 | V56 S57 V60 F149 V150 V152 Q155 P166 V167 V168 | V56-Y157 HydrophobicContact CG1-CE1 4.11Å; S57-Y157 PolarHBondContact N-OH 3.38Å; V60-Y157 HydrophobicContact CG2-CD1 4.01Å; V60-Y157 HydrophobicContact CG2-CD2 3.92Å; V60-Y157 HydrophobicContact CG2-CE1 3.74Å; V60-Y157 HydrophobicContact CG2-CE2 3.64Å; V60-Y157 HydrophobicContact CG2-CG 4.09Å; F149-Y157 VanDerWaalsContact CA-O 3.25Å; F149-Y157 WeakPolarHBondContact CA-O 3.43Å; V150-Y157 PolarHBondContact N-O 2.97Å; V150-Y157 PolarHBondContact O-N 2.84Å; V152-Y157 HydrophobicContact CB-CD2 3.8Å; V152-Y157 HydrophobicContact CB-CE2 3.83Å; V152-Y157 HydrophobicContact CG2-CD2 4.29Å; V152-Y157 WeakPolarHBondContact O-CE2 3.32Å; Q155-Y157 HydrophobicContact CB-CD2 4.25Å; Q155-Y157 HydrophobicContact CB-CE2 3.67Å; Q155-Y157 PolarHBondContact NE2-OH 2.94Å; Q155-Y157 WeakPolarHBondContact O-CD2 3.49Å; Q155-Y157 PolarHBondContact O-N 3.45Å; Y157-P166 HydrophobicContact CD1-CB 3.84Å; Y157-P166 HydrophobicContact CE1-CB 4.45Å; Y157-V167 CarbonylContact C-O 3.56Å; Y157-V167 WeakPolarHBondContact CA-O 3.26Å; Y157-V168 HydrophobicContact CD1-CG2 3.89Å; Y157-V168 HydrophobicContact CE1-CG2 3.35Å |
| 158 | E | 98.5 | Very high | 97.1 | Very high | 2 Ų | 2 | 21 Ų | 21 | 1% | 0.009 | 13% | 0.134 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.6 | 126 | 160.7 | -179.5 | -165.1 | 140.3 | 0 | 0 | 109.4 | I147 F149 K163 P166 V167 H169 | I147-E158 HydrophobicContact CD1-CG 3.93Å; F149-E158 HydrophobicContact CD1-CB 3.94Å; F149-E158 HydrophobicContact CD1-CG 4.31Å; F149-E158 HydrophobicContact CE1-CB 3.66Å; F149-E158 HydrophobicContact CE1-CG 3.7Å; F149-E158 HydrophobicContact CZ-CG 4.21Å; E158-K163 WeakPolarHBondContact OE1-CE 3.23Å; E158-K163 IonicContact OE1-NZ 3.85Å; E158-K163 PolarHBondContact OE1-NZ 2.95Å; E158-K163 IonicContact OE2-NZ 3.08Å; E158-P166 WeakPolarHBondContact O-CA 3.42Å; E158-V167 HydrophobicContact CB-CB 4.2Å; E158-V167 PolarHBondContact N-O 3.44Å; E158-V167 PolarHBondContact O-N 3.18Å; E158-H169 WeakPolarHBondContact CB-NE2 3.42Å; E158-H169 IonicContact OE2-CD2 2.67Å; E158-H169 IonicContact OE2-CE1 3.5Å; E158-H169 IonicContact OE2-NE2 2.7Å; E158-H169 PolarHBondContact OE2-NE2 2.7Å |
| 159 | L | 98.7 | Very high | 97 | Very high | 1 Ų | 1 | 24.3 Ų | 24.3 | 1% | 0.005 | 15% | 0.149 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.3 | 98 | -179 | -52.4 | 179.9 | 0 | 0 | 0 | 109 | V60 F62 H78 N82 A148 V150 P166 | V60-L159 HydrophobicContact CG1-CD2 3.77Å; F62-L159 HydrophobicContact CD2-CB 4.33Å; F62-L159 HydrophobicContact CD2-CD2 4.06Å; H78-L159 HydrophobicContact CB-CB 4.1Å; H78-L159 HydrophobicContact CB-CD1 3.71Å; H78-L159 VanDerWaalsContact ND1-CB 3.3Å; H78-L159 WeakPolarHBondContact ND1-CB 3.26Å; N82-L159 VanDerWaalsContact ND2-CD1 3.32Å; N82-L159 WeakPolarHBondContact ND2-CD1 3.5Å; A148-L159 HydrophobicContact CB-CB 4.45Å; A148-L159 PolarHBondContact N-O 2.97Å; A148-L159 VanDerWaalsContact N-O 3.15Å; A148-L159 PolarHBondContact O-N 2.9Å; V150-L159 HydrophobicContact CG1-CD1 4.48Å; V150-L159 HydrophobicContact CG2-CD1 3.59Å; V150-L159 HydrophobicContact CG2-CG 4.17Å; L159-P166 HydrophobicContact CD2-CB 3.64Å; L159-P166 HydrophobicContact CD2-CG 3.74Å |
| 160 | D | 98.2 | Very high | 96.9 | Very high | 1 Ų | 1 | 25.8 Ų | 25.8 | 1% | 0.005 | 16% | 0.164 | C | C | . | . | trans | -113.5 | 111.6 | 172.5 | -179 | -6.1 | 0 | 0 | 0 | 109.2 | Y38 F62 H145 I147 R162 K163 | Y38-D160 PolarHBondContact OH-OD2 3.26Å; F62-D160 WeakPolarHBondContact CE2-O 3.41Å; F62-D160 VanDerWaalsContact CZ-O 3.26Å; F62-D160 WeakPolarHBondContact CZ-O 3.47Å; H145-D160 IonicContact CD2-OD1 3.44Å; H145-D160 IonicContact CD2-OD2 3.78Å; H145-D160 IonicContact CE1-OD1 3.6Å; H145-D160 VanDerWaalsContact NE2-CG 3.35Å; H145-D160 IonicContact NE2-OD1 3.48Å; H145-D160 PolarHBondContact NE2-OD1 3.01Å; H145-D160 IonicContact NE2-OD2 3.61Å; I147-D160 HydrophobicContact CB-CB 4.44Å; I147-D160 HydrophobicContact CG2-CB 3.52Å; D160-R162 PolarHBondContact O-N 2.95Å; D160-R162 VanDerWaalsContact O-N 3.08Å; D160-R162 VanDerWaalsContact OD1-CB 3.28Å; D160-R162 WeakPolarHBondContact OD1-CB 3.33Å; D160-R162 PolarHBondContact OD1-N 2.83Å; D160-K163 HydrophobicContact CB-CB 4.24Å; D160-K163 HydrophobicContact CB-CD 3.99Å; D160-K163 HydrophobicContact CB-CG 3.9Å; D160-K163 WeakPolarHBondContact O-CB 3.3Å; D160-K163 PolarHBondContact O-N 3.15Å | ||
| 161 | G | 97.3 | Very high | 96.8 | Very high | 2 Ų | 2 | 35 Ų | 35 | 2% | 0.021 | 20% | 0.204 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -60.4 | -19.6 | 178.8 | 0 | 0 | 0 | 0 | 0 | 114.3 | I63 K64 Q65 | I63-G161 WeakPolarHBondContact O-CA 3.4Å; K64-G161 WeakPolarHBondContact CA-O 3.27Å; K64-G161 WeakPolarHBondContact CE-O 3.47Å; K64-G161 PolarHBondContact NZ-O 3.29Å; Q65-G161 PolarHBondContact N-O 3.4Å |
| 162 | R | 96.1 | Very high | 96.8 | Very high | 77 Ų | 77 | 34 Ų | 34 | 29% | 0.291 | 20% | 0.199 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -75.3 | -28.4 | 175 | -58.9 | 177.6 | 68.8 | -141.5 | -3.2 | 111.6 | V34 E39 K64 Q65 H145 D160 | V34-R162 VanDerWaalsContact CG1-NH1 3.28Å; V34-R162 VanDerWaalsContact CG2-NH1 3.35Å; E39-R162 IonicContact OE1-CZ 3.7Å; E39-R162 VanDerWaalsContact OE1-CZ 3.31Å; E39-R162 IonicContact OE1-NH1 3.28Å; E39-R162 PolarHBondContact OE1-NH1 3.39Å; E39-R162 VanDerWaalsContact OE1-NH1 3.08Å; E39-R162 IonicContact OE1-NH2 2.94Å; E39-R162 PolarHBondContact OE1-NH2 3.4Å; K64-R162 PolarHBondContact NZ-O 3.12Å; K64-R162 VanDerWaalsContact NZ-O 3.17Å; Q65-R162 HydrophobicContact CB-CG 4.47Å; H145-R162 WeakPolarHBondContact CE1-CD 3.47Å; H145-R162 WeakPolarHBondContact NE2-CD 3.47Å; D160-R162 PolarHBondContact O-N 2.95Å; D160-R162 VanDerWaalsContact O-N 3.08Å; D160-R162 VanDerWaalsContact OD1-CB 3.28Å; D160-R162 WeakPolarHBondContact OD1-CB 3.33Å; D160-R162 PolarHBondContact OD1-N 2.83Å |
| 163 | K | 95.4 | Very high | 96.8 | Very high | 4 Ų | 4 | 36.5 Ų | 36.5 | 2% | 0.017 | 22% | 0.215 | C | C | . | . | S | Bend | trans | -75.5 | 151.7 | 175.5 | -68.2 | -175.5 | -177 | -178.1 | 0 | 111.4 | K42 E45 K64 E158 D160 F165 V167 | K42-K163 HydrophobicContact CD-CG 4.34Å; K42-K163 HydrophobicContact CG-CG 4.19Å; E45-K163 IonicContact OE2-NZ 3.31Å; E45-K163 PolarHBondContact OE2-NZ 3.4Å; K64-K163 WeakPolarHBondContact CD-O 3.42Å; K64-K163 PolarHBondContact NZ-O 3.19Å; E158-K163 WeakPolarHBondContact OE1-CE 3.23Å; E158-K163 IonicContact OE1-NZ 3.85Å; E158-K163 PolarHBondContact OE1-NZ 2.95Å; E158-K163 IonicContact OE2-NZ 3.08Å; D160-K163 HydrophobicContact CB-CB 4.24Å; D160-K163 HydrophobicContact CB-CD 3.99Å; D160-K163 HydrophobicContact CB-CG 3.9Å; D160-K163 WeakPolarHBondContact O-CB 3.3Å; D160-K163 PolarHBondContact O-N 3.15Å; K163-F165 VanDerWaalsContact C-N 3.26Å; K163-F165 PolarHBondContact O-N 3.07Å; K163-V167 HydrophobicContact CD-CG2 3.81Å |
| 164 | P | 92.9 | Very high | 96.8 | Very high | 41 Ų | 41 | 38.4 Ų | 38.4 | 27% | 0.266 | 20% | 0.203 | S | C | . | . | S | Bend | trans | -65.9 | -24.5 | 179.2 | 24.8 | -35.1 | 0 | 0 | 0 | 113.8 | E46 | E46-P164 HydrophobicContact CG-CG 3.85Å; E46-P164 VanDerWaalsContact OE1-CD 3.23Å; E46-P164 WeakPolarHBondContact OE1-CD 3.39Å |
| 165 | F | 94.1 | Very high | 96.8 | Very high | 25 Ų | 25 | 43 Ų | 43 | 11% | 0.11 | 22% | 0.22 | C | C | . | . | S | Bend | trans | -156.4 | 161.1 | -177.1 | 38.8 | -100.7 | 0 | 0 | 0 | 110.9 | L49 K50 H54 K163 | L49-F165 HydrophobicContact CB-CE2 3.48Å; L49-F165 VanDerWaalsContact CB-CE2 3.48Å; L49-F165 HydrophobicContact CB-CZ 3.59Å; L49-F165 HydrophobicContact CD1-CE2 3.7Å; L49-F165 HydrophobicContact CG-CE2 4.22Å; K50-F165 HydrophobicContact CG-CE1 4.16Å; K50-F165 HydrophobicContact CG-CZ 4.4Å; H54-F165 AromaticContact CD2-CD1 3.63Å; H54-F165 AromaticContact CD2-CD2 3.57Å; H54-F165 AromaticContact CD2-CE1 3.83Å; H54-F165 AromaticContact CD2-CE2 3.77Å; H54-F165 AromaticContact CD2-CG 3.5Å; H54-F165 AromaticContact CD2-CZ 3.9Å; H54-F165 AromaticContact CE1-CD1 3.85Å; H54-F165 AromaticContact CE1-CE1 3.69Å; H54-F165 AromaticContact NE2-CD1 3.13Å; H54-F165 WeakPolarHBondContact NE2-CD1 3.34Å; H54-F165 AromaticContact NE2-CD2 3.69Å; H54-F165 AromaticContact NE2-CE1 2.93Å; H54-F165 WeakPolarHBondContact NE2-CE1 3.26Å; H54-F165 AromaticContact NE2-CE2 3.51Å; H54-F165 AromaticContact NE2-CG 3.52Å; H54-F165 AromaticContact NE2-CZ 3.14Å; H54-F165 WeakPolarHBondContact NE2-CZ 3.44Å; K163-F165 VanDerWaalsContact C-N 3.26Å; K163-F165 PolarHBondContact O-N 3.07Å |
| 166 | P | 96.4 | Very high | 96.8 | Very high | 10 Ų | 10 | 42.2 Ų | 42.2 | 7% | 0.065 | 22% | 0.221 | C | C | . | . | trans | -54.3 | 143.8 | 168.7 | -28.5 | 38.2 | 0 | 0 | 0 | 112.9 | V56 V60 F62 Y157 E158 L159 | V56-P166 HydrophobicContact CG1-CB 4.11Å; V56-P166 HydrophobicContact CG1-CG 3.96Å; V56-P166 HydrophobicContact CG2-CB 4.37Å; V60-P166 HydrophobicContact CG1-CB 4.32Å; V60-P166 HydrophobicContact CG1-CG 3.87Å; F62-P166 HydrophobicContact CB-CG 3.83Å; F62-P166 HydrophobicContact CD1-CG 4.17Å; F62-P166 HydrophobicContact CD2-CG 3.85Å; F62-P166 HydrophobicContact CE2-CG 4.45Å; F62-P166 HydrophobicContact CG-CG 3.69Å; Y157-P166 HydrophobicContact CD1-CB 3.84Å; Y157-P166 HydrophobicContact CE1-CB 4.45Å; E158-P166 WeakPolarHBondContact O-CA 3.42Å; L159-P166 HydrophobicContact CD2-CB 3.64Å; L159-P166 HydrophobicContact CD2-CG 3.74Å | ||
| 167 | V | 96.1 | Very high | 96.8 | Very high | 5 Ų | 5 | 42.1 Ų | 42.1 | 3% | 0.03 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.2 | 128.3 | 174.7 | -178.8 | 0 | 0 | 0 | 0 | 109.7 | L49 Y157 E158 K163 | L49-V167 HydrophobicContact CD1-CG1 4.24Å; L49-V167 HydrophobicContact CD1-CG2 4.06Å; Y157-V167 CarbonylContact C-O 3.56Å; Y157-V167 WeakPolarHBondContact CA-O 3.26Å; E158-V167 HydrophobicContact CB-CB 4.2Å; E158-V167 PolarHBondContact N-O 3.44Å; E158-V167 PolarHBondContact O-N 3.18Å; K163-V167 HydrophobicContact CD-CG2 3.81Å |
| 168 | V | 95.9 | Very high | 96.8 | Very high | 54 Ų | 54 | 42.2 Ų | 42.2 | 33% | 0.327 | 22% | 0.22 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.8 | 122.1 | 177.3 | -175.6 | 0 | 0 | 0 | 0 | 109.4 | Q155 Y157 | Q155-V168 HydrophobicContact CB-CG1 4.38Å; Y157-V168 HydrophobicContact CD1-CG2 3.89Å; Y157-V168 HydrophobicContact CE1-CG2 3.35Å |
| 169 | H | 96.3 | Very high | 96.8 | Very high | 69 Ų | 69 | 45.2 Ų | 45.2 | 32% | 0.319 | 24% | 0.235 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.3 | -3.4 | 179.7 | -74.9 | -71.2 | 0 | 0 | 0 | 114 | L156 E158 V184 | L156-H169 HydrophobicContact CB-CB 4.27Å; L156-H169 HydrophobicContact CD2-CB 3.84Å; L156-H169 HydrophobicContact CG-CB 4.04Å; L156-H169 PolarHBondContact O-N 2.76Å; E158-H169 WeakPolarHBondContact CB-NE2 3.42Å; E158-H169 IonicContact OE2-CD2 2.67Å; E158-H169 IonicContact OE2-CE1 3.5Å; E158-H169 IonicContact OE2-NE2 2.7Å; E158-H169 PolarHBondContact OE2-NE2 2.7Å; H169-V184 HydrophobicContact CB-CG2 3.78Å |
| 170 | G | 95.4 | Very high | 96.8 | Very high | 31 Ų | 31 | 47.4 Ų | 47.4 | 32% | 0.32 | 25% | 0.246 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | 127.2 | -159 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | Q155 L156 | Q155-G170 CarbonylContact C-O 3.45Å; Q155-G170 VanDerWaalsContact CA-O 3.26Å; Q155-G170 WeakPolarHBondContact CA-O 3.26Å; L156-G170 PolarHBondContact N-O 2.97Å |
| 171 | K | 97.8 | Very high | 96.8 | Very high | 193 Ų | 193 | 47.4 Ų | 47.4 | 84% | 0.839 | 25% | 0.246 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -81.6 | 146 | 179 | -65.8 | -177.4 | -179.5 | -179.6 | 0 | 110.6 | G154 | G154-K171 WeakPolarHBondContact O-CA 3.24Å |
| 172 | T | 98.6 | Very high | 96.9 | Very high | 7 Ų | 7 | 47.3 Ų | 47.3 | 4% | 0.043 | 25% | 0.245 | C | C | . | . | trans | -149.4 | 175.3 | 171.6 | -168.5 | 0 | 0 | 0 | 0 | 109.7 | N151 G154 L156 L177 D180 | N151-T172 HydrophobicContact CB-CG2 3.71Å; G154-T172 CarbonylContact C-O 3.51Å; G154-T172 WeakPolarHBondContact CA-O 3.27Å; G154-T172 PolarHBondContact O-N 3.22Å; G154-T172 VanDerWaalsContact O-O 3.13Å; L156-T172 HydrophobicContact CB-CG2 3.87Å; T172-L177 HydrophobicContact CG2-CD1 4.44Å; T172-L177 WeakPolarHBondContact OG1-CA 3.26Å; T172-D180 WeakPolarHBondContact CA-OD2 3.26Å; T172-D180 VanDerWaalsContact CB-OD2 3.24Å; T172-D180 WeakPolarHBondContact CB-OD2 3.31Å; T172-D180 PolarHBondContact OG1-OD2 3.02Å | ||
| 173 | T | 98.2 | Very high | 97 | Very high | 67 Ų | 67 | 48.6 Ų | 48.6 | 41% | 0.411 | 26% | 0.255 | S | S | . | . | trans | -136 | 169.4 | 175.7 | 66.9 | 0 | 0 | 0 | 0 | 110 | D175 T176 L177 | T173-D175 PolarHBondContact O-N 3.25Å; T173-D175 PolarHBondContact OG1-N 3.47Å; T173-T176 PolarHBondContact N-OG1 2.97Å; T173-T176 PolarHBondContact O-N 3.46Å; T173-T176 WeakPolarHBondContact OG1-CG2 3.37Å; T173-T176 PolarHBondContact OG1-N 2.93Å; T173-T176 VanDerWaalsContact OG1-N 3.15Å; T173-T176 PolarHBondContact OG1-OG1 3.22Å; T173-L177 WeakPolarHBondContact O-CB 3.44Å; T173-L177 PolarHBondContact O-N 3.29Å | ||
| 174 | E | 94.4 | Very high | 97.1 | Very high | 115 Ų | 115 | 49 Ų | 49 | 54% | 0.537 | 26% | 0.258 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -59.3 | -34 | 172.8 | -66.2 | -178.9 | -167.4 | 0 | 0 | 111.9 | H86 N151 | H86-E174 IonicContact CE1-OE1 3.2Å; H86-E174 IonicContact NE2-OE1 2.63Å; N151-E174 PolarHBondContact ND2-N 2.63Å |
| 175 | D | 96.6 | Very high | 97.4 | Very high | 127 Ų | 127 | 47.1 Ų | 47.1 | 68% | 0.679 | 25% | 0.245 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -79.4 | -29.6 | -177.5 | -67.3 | -31.9 | 0 | 0 | 0 | 113.3 | R23 T173 | R23-D175 PolarHBondContact NH1-O 3.35Å; R23-D175 VanDerWaalsContact NH1-O 3.14Å; T173-D175 PolarHBondContact O-N 3.25Å; T173-D175 PolarHBondContact OG1-N 3.47Å |
| 176 | T | 98.3 | Very high | 97.6 | Very high | 52 Ų | 52 | 49.2 Ų | 49.2 | 32% | 0.319 | 25% | 0.254 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -105.5 | -1 | -174.8 | 65.6 | 0 | 0 | 0 | 0 | 114.1 | T173 L178 E179 D180 | T173-T176 PolarHBondContact N-OG1 2.97Å; T173-T176 PolarHBondContact O-N 3.46Å; T173-T176 WeakPolarHBondContact OG1-CG2 3.37Å; T173-T176 PolarHBondContact OG1-N 2.93Å; T173-T176 VanDerWaalsContact OG1-N 3.15Å; T173-T176 PolarHBondContact OG1-OG1 3.22Å; T176-L178 VanDerWaalsContact C-N 3.27Å; T176-L178 PolarHBondContact O-N 3.47Å; T176-E179 PolarHBondContact O-N 2.91Å; T176-D180 WeakPolarHBondContact CB-OD2 3.36Å; T176-D180 WeakPolarHBondContact O-CB 3.39Å; T176-D180 PolarHBondContact O-N 2.83Å; T176-D180 PolarHBondContact OG1-OD2 2.88Å |
| 177 | L | 98.7 | Very high | 97.7 | Very high | 2 Ų | 2 | 52.7 Ų | 52.7 | 1% | 0.01 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -53.5 | -42.6 | -175.7 | 174.2 | 61.2 | 0 | 0 | 0 | 112.7 | C26 N151 L156 T172 T173 A181 | C26-L177 VanDerWaalsContact O-CD2 3.3Å; C26-L177 WeakPolarHBondContact O-CD2 3.05Å; N151-L177 HydrophobicContact CB-CD1 4.19Å; N151-L177 HydrophobicContact CB-CD2 4.31Å; L156-L177 HydrophobicContact CD1-CD1 3.62Å; T172-L177 HydrophobicContact CG2-CD1 4.44Å; T172-L177 WeakPolarHBondContact OG1-CA 3.26Å; T173-L177 WeakPolarHBondContact O-CB 3.44Å; T173-L177 PolarHBondContact O-N 3.29Å; L177-A181 WeakPolarHBondContact O-CB 3.39Å; L177-A181 PolarHBondContact O-N 3.02Å |
| 178 | L | 98.7 | Very high | 97.7 | Very high | 1 Ų | 1 | 52.9 Ų | 52.9 | 1% | 0.005 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -62.9 | -50.7 | -178.9 | 177.1 | 61.4 | 0 | 0 | 0 | 110.9 | V10 L18 V21 V25 V28 T176 V182 A202 | V10-L178 HydrophobicContact CG2-CD1 4.36Å; L18-L178 HydrophobicContact CB-CD2 4.46Å; L18-L178 HydrophobicContact CD2-CD1 4.45Å; L18-L178 HydrophobicContact CD2-CD2 4.28Å; L18-L178 HydrophobicContact CD2-CG 4.27Å; V21-L178 HydrophobicContact CB-CD2 3.76Å; V21-L178 HydrophobicContact CG1-CD2 3.95Å; V21-L178 HydrophobicContact CG2-CD2 3.98Å; V25-L178 HydrophobicContact CB-CB 4.35Å; V25-L178 HydrophobicContact CG1-CB 4.45Å; V25-L178 HydrophobicContact CG2-CB 4.31Å; V25-L178 HydrophobicContact CG2-CD2 4.31Å; V28-L178 HydrophobicContact CG2-CD1 3.9Å; T176-L178 VanDerWaalsContact C-N 3.27Å; T176-L178 PolarHBondContact O-N 3.47Å; L178-V182 HydrophobicContact CD1-CG2 4.19Å; L178-V182 WeakPolarHBondContact O-CB 3.5Å; L178-V182 WeakPolarHBondContact O-CG2 3.33Å; L178-V182 PolarHBondContact O-N 2.94Å; L178-A202 HydrophobicContact CD1-CB 4.31Å |
| 179 | E | 98.6 | Very high | 97.8 | Very high | 65 Ų | 65 | 52.9 Ų | 52.9 | 30% | 0.304 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -60 | -48.8 | 178.6 | -71.8 | 74.1 | -168.5 | 0 | 0 | 111.5 | R23 T176 A181 V182 E183 | R23-E179 IonicContact CZ-OE1 2.75Å; R23-E179 VanDerWaalsContact CZ-OE1 3.28Å; R23-E179 IonicContact CZ-OE2 2.74Å; R23-E179 IonicContact NH1-OE1 2.59Å; R23-E179 PolarHBondContact NH1-OE1 3.08Å; R23-E179 IonicContact NH1-OE2 3.77Å; R23-E179 PolarHBondContact NH1-OE2 3.44Å; R23-E179 IonicContact NH2-OE1 2.71Å; R23-E179 PolarHBondContact NH2-OE1 3.29Å; R23-E179 IonicContact NH2-OE2 3.58Å; T176-E179 PolarHBondContact O-N 2.91Å; E179-A181 PolarHBondContact O-N 3.46Å; E179-V182 PolarHBondContact O-N 3.47Å; E179-E183 PolarHBondContact O-N 3.1Å |
| 180 | D | 98.8 | Very high | 97.8 | Very high | 48 Ų | 48 | 53.1 Ų | 53.1 | 26% | 0.257 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -65.5 | -40.9 | -176.9 | -61.5 | -31.6 | 0 | 0 | 0 | 111.2 | L156 T172 T176 E183 V184 | L156-D180 HydrophobicContact CD2-CB 4.03Å; T172-D180 WeakPolarHBondContact CA-OD2 3.26Å; T172-D180 VanDerWaalsContact CB-OD2 3.24Å; T172-D180 WeakPolarHBondContact CB-OD2 3.31Å; T172-D180 PolarHBondContact OG1-OD2 3.02Å; T176-D180 WeakPolarHBondContact CB-OD2 3.36Å; T176-D180 WeakPolarHBondContact O-CB 3.39Å; T176-D180 PolarHBondContact O-N 2.83Å; T176-D180 PolarHBondContact OG1-OD2 2.88Å; D180-E183 PolarHBondContact O-N 3.32Å; D180-V184 PolarHBondContact O-N 3.36Å |
| 181 | A | 98.8 | Very high | 97.8 | Very high | 0 Ų | 0 | 54.2 Ų | 54.2 | 0% | 0 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -66.6 | -36.4 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | V28 F149 L156 L177 E179 E183 V184 C185 | V28-A181 HydrophobicContact CB-CB 4.04Å; V28-A181 HydrophobicContact CG1-CB 4.44Å; V28-A181 HydrophobicContact CG2-CB 3.97Å; F149-A181 HydrophobicContact CB-CB 3.78Å; F149-A181 HydrophobicContact CD2-CB 4.37Å; F149-A181 HydrophobicContact CG-CB 4.06Å; L156-A181 HydrophobicContact CD1-CB 4.32Å; L177-A181 WeakPolarHBondContact O-CB 3.39Å; L177-A181 PolarHBondContact O-N 3.02Å; E179-A181 PolarHBondContact O-N 3.46Å; A181-E183 VanDerWaalsContact C-N 3.34Å; A181-V184 PolarHBondContact O-N 3.09Å; A181-C185 PolarHBondContact O-N 3.05Å; A181-C185 PolarHBondContact O-SG 2.89Å |
| 182 | V | 98.3 | Very high | 97.6 | Very high | 0 Ų | 0 | 46 Ų | 46 | 0% | 0 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -66 | -36.7 | 176.5 | 162 | 0 | 0 | 0 | 0 | 111.5 | L13 L18 L178 E179 V184 C185 K186 | L13-V182 HydrophobicContact CB-CG1 3.67Å; L13-V182 HydrophobicContact CD1-CG1 4.32Å; L13-V182 HydrophobicContact CD2-CG1 3.86Å; L13-V182 HydrophobicContact CD2-CG2 4.26Å; L13-V182 HydrophobicContact CG-CG1 4.14Å; L18-V182 HydrophobicContact CD1-CB 4.48Å; L18-V182 HydrophobicContact CD1-CG1 4.21Å; L18-V182 HydrophobicContact CD1-CG2 4.43Å; L18-V182 HydrophobicContact CD2-CG2 3.83Å; L178-V182 HydrophobicContact CD1-CG2 4.19Å; L178-V182 WeakPolarHBondContact O-CB 3.5Å; L178-V182 WeakPolarHBondContact O-CG2 3.33Å; L178-V182 PolarHBondContact O-N 2.94Å; E179-V182 PolarHBondContact O-N 3.47Å; V182-V184 VanDerWaalsContact C-N 3.28Å; V182-V184 PolarHBondContact O-N 3.45Å; V182-C185 WeakPolarHBondContact O-CB 3.29Å; V182-C185 PolarHBondContact O-N 3.36Å; V182-C185 VanDerWaalsContact O-N 3.14Å; V182-K186 WeakPolarHBondContact O-CG 3.5Å; V182-K186 PolarHBondContact O-N 3.15Å |
| 183 | E | 98.6 | Very high | 97.4 | Very high | 104 Ų | 104 | 50.6 Ų | 50.6 | 49% | 0.486 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -61.2 | -38.5 | 172.8 | -69.6 | -54 | 127 | 0 | 0 | 111.8 | E179 D180 A181 K186 V187 | E179-E183 PolarHBondContact O-N 3.1Å; D180-E183 PolarHBondContact O-N 3.32Å; A181-E183 VanDerWaalsContact C-N 3.34Å; E183-K186 WeakPolarHBondContact O-CB 3.13Å; E183-K186 PolarHBondContact O-N 2.89Å; E183-K186 IonicContact OE1-NZ 2.67Å; E183-K186 PolarHBondContact OE1-NZ 2.8Å; E183-V187 PolarHBondContact O-N 3.03Å |
| 184 | V | 98.5 | Very high | 97.3 | Very high | 14 Ų | 14 | 55.6 Ų | 55.6 | 9% | 0.085 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -66.6 | -42 | 172.4 | -175.1 | 0 | 0 | 0 | 0 | 111.3 | F149 L156 H169 D180 A181 V182 K186 V187 F188 | F149-V184 HydrophobicContact CE1-CB 3.97Å; F149-V184 HydrophobicContact CE1-CG1 3.54Å; F149-V184 HydrophobicContact CZ-CB 4.24Å; F149-V184 HydrophobicContact CZ-CG1 3.8Å; L156-V184 HydrophobicContact CD2-CG2 3.72Å; H169-V184 HydrophobicContact CB-CG2 3.78Å; D180-V184 PolarHBondContact O-N 3.36Å; A181-V184 PolarHBondContact O-N 3.09Å; V182-V184 VanDerWaalsContact C-N 3.28Å; V182-V184 PolarHBondContact O-N 3.45Å; V184-K186 VanDerWaalsContact C-N 3.27Å; V184-K186 PolarHBondContact O-N 3.2Å; V184-V187 WeakPolarHBondContact O-CB 3.3Å; V184-V187 PolarHBondContact O-N 2.73Å; V184-F188 HydrophobicContact CG1-CD2 4.22Å; V184-F188 HydrophobicContact CG1-CE2 4.04Å; V184-F188 WeakPolarHBondContact O-CD2 3.37Å; V184-F188 PolarHBondContact O-N 3.18Å; V184-F188 VanDerWaalsContact O-N 3.15Å |
| 185 | C | 98.4 | Very high | 97.3 | Very high | 0 Ų | 0 | 51.7 Ų | 51.7 | 0% | 0 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -57.9 | -39.2 | 175 | -62.7 | 0 | 0 | 0 | 0 | 112.1 | L30 A181 V182 V187 F188 M189 I200 | L30-C185 HydrophobicContact CD1-CB 4.48Å; A181-C185 PolarHBondContact O-N 3.05Å; A181-C185 PolarHBondContact O-SG 2.89Å; V182-C185 WeakPolarHBondContact O-CB 3.29Å; V182-C185 PolarHBondContact O-N 3.36Å; V182-C185 VanDerWaalsContact O-N 3.14Å; C185-V187 VanDerWaalsContact C-N 3.29Å; C185-V187 PolarHBondContact O-N 3.07Å; C185-F188 WeakPolarHBondContact O-CB 3.36Å; C185-F188 PolarHBondContact O-N 3.2Å; C185-F188 VanDerWaalsContact O-N 3.12Å; C185-M189 WeakPolarHBondContact O-CG 3.49Å; C185-M189 PolarHBondContact O-N 3.42Å; C185-I200 HydrophobicContact CB-CD1 3.72Å |
| 186 | K | 98.3 | Very high | 97.3 | Very high | 70 Ų | 70 | 51.6 Ų | 51.6 | 30% | 0.304 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -61.1 | -37 | 174.5 | -70.9 | 172.8 | -173.7 | 166.7 | 0 | 112 | L13 V182 E183 V184 F188 M189 A190 | L13-K186 HydrophobicContact CD1-CG 3.66Å; L13-K186 WeakPolarHBondContact O-CE 3.13Å; L13-K186 PolarHBondContact O-NZ 2.86Å; L13-K186 VanDerWaalsContact O-NZ 3.09Å; V182-K186 WeakPolarHBondContact O-CG 3.5Å; V182-K186 PolarHBondContact O-N 3.15Å; E183-K186 WeakPolarHBondContact O-CB 3.13Å; E183-K186 PolarHBondContact O-N 2.89Å; E183-K186 IonicContact OE1-NZ 2.67Å; E183-K186 PolarHBondContact OE1-NZ 2.8Å; V184-K186 VanDerWaalsContact C-N 3.27Å; V184-K186 PolarHBondContact O-N 3.2Å; K186-F188 VanDerWaalsContact C-N 3.34Å; K186-M189 PolarHBondContact O-N 3.47Å; K186-A190 VanDerWaalsContact O-CB 3.27Å; K186-A190 WeakPolarHBondContact O-CB 3.36Å; K186-A190 PolarHBondContact O-N 3.42Å |
| 187 | V | 97.6 | Very high | 97.2 | Very high | 83 Ų | 83 | 55 Ų | 55 | 50% | 0.503 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -64.6 | -38.8 | 174.2 | 177.6 | 0 | 0 | 0 | 0 | 111.3 | E183 V184 C185 R191 | E183-V187 PolarHBondContact O-N 3.03Å; V184-V187 WeakPolarHBondContact O-CB 3.3Å; V184-V187 PolarHBondContact O-N 2.73Å; C185-V187 VanDerWaalsContact C-N 3.29Å; C185-V187 PolarHBondContact O-N 3.07Å; V187-R191 PolarHBondContact O-N 2.94Å |
| 188 | F | 97.1 | Very high | 97.2 | Very high | 9 Ų | 9 | 56.7 Ų | 56.7 | 4% | 0.039 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -61.1 | -46.7 | 173.2 | -85.9 | -111.1 | 0 | 0 | 0 | 112 | L30 F32 Y38 I147 F149 V184 C185 K186 R191 | L30-F188 HydrophobicContact CD2-CB 4.13Å; L30-F188 HydrophobicContact CD2-CD1 4.05Å; L30-F188 HydrophobicContact CD2-CD2 4.43Å; L30-F188 HydrophobicContact CD2-CG 3.97Å; F32-F188 HydrophobicContact CD1-CD1 4.22Å; F32-F188 HydrophobicContact CD1-CE1 4.22Å; F32-F188 HydrophobicContact CD2-CD1 4.02Å; F32-F188 HydrophobicContact CD2-CE1 4.3Å; F32-F188 HydrophobicContact CE1-CD1 4.33Å; F32-F188 AromaticContact CE1-CE1 3.89Å; F32-F188 HydrophobicContact CE1-CE1 3.89Å; F32-F188 HydrophobicContact CE2-CD1 4.17Å; F32-F188 AromaticContact CE2-CE1 4Å; F32-F188 HydrophobicContact CE2-CE1 4Å; F32-F188 HydrophobicContact CG-CD1 4.07Å; F32-F188 HydrophobicContact CG-CE1 4.42Å; F32-F188 HydrophobicContact CZ-CD1 4.31Å; F32-F188 AromaticContact CZ-CE1 3.77Å; F32-F188 HydrophobicContact CZ-CE1 3.77Å; Y38-F188 HydrophobicContact CD2-CE1 4.24Å; Y38-F188 HydrophobicContact CE2-CD1 4.39Å; Y38-F188 AromaticContact CE2-CE1 3.67Å; Y38-F188 HydrophobicContact CE2-CE1 3.67Å; Y38-F188 HydrophobicContact CE2-CZ 4.41Å; I147-F188 HydrophobicContact CD1-CE1 3.85Å; I147-F188 HydrophobicContact CD1-CE2 4.32Å; I147-F188 HydrophobicContact CD1-CZ 3.63Å; F149-F188 HydrophobicContact CZ-CE2 4.44Å; V184-F188 HydrophobicContact CG1-CD2 4.22Å; V184-F188 HydrophobicContact CG1-CE2 4.04Å; V184-F188 WeakPolarHBondContact O-CD2 3.37Å; V184-F188 PolarHBondContact O-N 3.18Å; V184-F188 VanDerWaalsContact O-N 3.15Å; C185-F188 WeakPolarHBondContact O-CB 3.36Å; C185-F188 PolarHBondContact O-N 3.2Å; C185-F188 VanDerWaalsContact O-N 3.12Å; K186-F188 VanDerWaalsContact C-N 3.34Å; F188-R191 WeakPolarHBondContact O-CB 3.01Å; F188-R191 PolarHBondContact O-N 3.37Å |
| 189 | M | 97.8 | Very high | 97.2 | Very high | 53 Ų | 53 | 59.8 Ų | 59.8 | 26% | 0.261 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -65.9 | -42.8 | 178.7 | -64.3 | 173.2 | -174.8 | 0 | 0 | 112.2 | L13 C185 K186 R191 D192 F198 I200 | L13-M189 HydrophobicContact CD1-CE 3.83Å; L13-M189 HydrophobicContact CD1-SD 3.61Å; C185-M189 WeakPolarHBondContact O-CG 3.49Å; C185-M189 PolarHBondContact O-N 3.42Å; K186-M189 PolarHBondContact O-N 3.47Å; M189-R191 PolarHBondContact O-N 3.49Å; M189-D192 CarbonylContact O-C 3.59Å; M189-D192 VanDerWaalsContact O-C 3.25Å; M189-D192 PolarHBondContact O-N 3.03Å; M189-D192 VanDerWaalsContact O-N 3.13Å; M189-F198 HydrophobicContact CB-CE2 4.47Å; M189-F198 HydrophobicContact CB-CZ 4.39Å; M189-F198 HydrophobicContact CE-CB 3.78Å; M189-F198 HydrophobicContact CE-CD1 4.35Å; M189-F198 HydrophobicContact CE-CG 4.03Å; M189-F198 HydrophobicContact CG-CD1 3.99Å; M189-F198 HydrophobicContact CG-CD2 4.02Å; M189-F198 HydrophobicContact CG-CE1 3.98Å; M189-F198 HydrophobicContact CG-CE2 4.03Å; M189-F198 HydrophobicContact CG-CG 4Å; M189-F198 HydrophobicContact CG-CZ 4.02Å; M189-I200 HydrophobicContact CE-CD1 4.14Å |
| 190 | A | 97.1 | Very high | 97.2 | Very high | 75 Ų | 75 | 57.1 Ų | 57.1 | 62% | 0.62 | 30% | 0.302 | S | S | * | . | H | α-helix | trans | -64.6 | -24.4 | -179.6 | 0 | 0 | 0 | 0 | 0 | 113.3 | K186 D192 | K186-A190 VanDerWaalsContact O-CB 3.27Å; K186-A190 WeakPolarHBondContact O-CB 3.36Å; K186-A190 PolarHBondContact O-N 3.42Å; A190-D192 VanDerWaalsContact C-N 3.31Å |
| 191 | R | 94.6 | Very high | 97.1 | Very high | 53 Ų | 53 | 56.5 Ų | 56.5 | 20% | 0.2 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -68.2 | -30.9 | 176 | -170.1 | 179.2 | -63.1 | 106.9 | -0.6 | 112.6 | F41 V187 F188 M189 | F41-R191 VanDerWaalsContact CD1-CZ 3.44Å; F41-R191 VanDerWaalsContact CD2-NE 3.34Å; F41-R191 VanDerWaalsContact CE2-NH2 3.27Å; V187-R191 PolarHBondContact O-N 2.94Å; F188-R191 WeakPolarHBondContact O-CB 3.01Å; F188-R191 PolarHBondContact O-N 3.37Å; M189-R191 PolarHBondContact O-N 3.49Å |
| 192 | D | 93.6 | Very high | 97.1 | Very high | 20 Ų | 20 | 56.5 Ų | 56.5 | 11% | 0.107 | 30% | 0.298 | C | S | . | . | S | Bend | trans | -132 | 75.9 | 177.2 | -149 | -12.7 | 0 | 0 | 0 | 111.2 | T35 K37 M189 A190 Q194 E195 | T35-D192 WeakPolarHBondContact CG2-OD2 3.22Å; T35-D192 PolarHBondContact OG1-OD2 3.33Å; K37-D192 HydrophobicContact CD-CB 4.44Å; K37-D192 IonicContact NZ-OD1 2.76Å; K37-D192 PolarHBondContact NZ-OD1 3.36Å; M189-D192 CarbonylContact O-C 3.59Å; M189-D192 VanDerWaalsContact O-C 3.25Å; M189-D192 PolarHBondContact O-N 3.03Å; M189-D192 VanDerWaalsContact O-N 3.13Å; A190-D192 VanDerWaalsContact C-N 3.31Å; D192-Q194 PolarHBondContact O-N 3.43Å; D192-E195 HydrophobicContact CB-CB 4.02Å; D192-E195 WeakPolarHBondContact O-CB 3.28Å; D192-E195 PolarHBondContact O-N 3.13Å |
| 193 | P | 94.6 | Very high | 97.1 | Very high | 105 Ų | 105 | 56.5 Ų | 56.5 | 68% | 0.682 | 30% | 0.298 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.2 | -8.3 | -167.6 | 28.2 | -36.9 | 0 | 0 | 0 | 114.5 | ||
| 194 | Q | 94.9 | Very high | 97 | Very high | 172 Ų | 172 | 51.8 Ų | 51.8 | 80% | 0.804 | 28% | 0.277 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -89.9 | -9.3 | 175 | -67 | -178.9 | -12.1 | 0 | 0 | 112.4 | D192 | D192-Q194 PolarHBondContact O-N 3.43Š|
| 195 | E | 95.9 | Very high | 96.7 | Very high | 33 Ų | 33 | 55.9 Ų | 55.9 | 15% | 0.154 | 29% | 0.293 | C | S | . | . | trans | -91.1 | 140.7 | -174.1 | -171.3 | 48.7 | -110 | 0 | 0 | 111 | P33 D192 R197 F198 | P33-E195 HydrophobicContact CB-CG 4.35Å; P33-E195 VanDerWaalsContact CG-CD 3.48Å; P33-E195 HydrophobicContact CG-CG 3.16Å; D192-E195 HydrophobicContact CB-CB 4.02Å; D192-E195 WeakPolarHBondContact O-CB 3.28Å; D192-E195 PolarHBondContact O-N 3.13Å; E195-R197 VanDerWaalsContact OE1-CB 3.24Å; E195-R197 WeakPolarHBondContact OE1-CB 3.49Å; E195-R197 VanDerWaalsContact OE1-CG 3.26Å; E195-R197 WeakPolarHBondContact OE1-CG 3.38Å; E195-R197 IonicContact OE1-CZ 3.9Å; E195-R197 PolarHBondContact OE1-N 3.41Å; E195-R197 IonicContact OE1-NE 3.62Å; E195-R197 PolarHBondContact OE1-NE 2.95Å; E195-R197 IonicContact OE1-NH2 3.59Å; E195-R197 IonicContact OE2-CZ 3.59Å; E195-R197 IonicContact OE2-NE 2.68Å; E195-R197 PolarHBondContact OE2-NE 3.33Å; E195-R197 IonicContact OE2-NH2 2.7Å; E195-R197 PolarHBondContact OE2-NH2 2.89Å; E195-F198 HydrophobicContact CB-CE2 3.87Å; E195-F198 HydrophobicContact CB-CZ 4.27Å; E195-F198 HydrophobicContact CG-CE2 3.72Å; E195-F198 HydrophobicContact CG-CZ 4.05Å; E195-F198 WeakPolarHBondContact O-CE2 3.33Å | ||
| 196 | V | 95.7 | Very high | 95.9 | Very high | 124 Ų | 124 | 58.3 Ų | 58.3 | 75% | 0.752 | 31% | 0.306 | S | S | * | . | trans | -127.2 | -8.2 | -174.4 | -61.6 | 0 | 0 | 0 | 0 | 112.5 | F198 | V196-F198 PolarHBondContact O-N 3.48Š| ||
| 197 | R | 97 | Very high | 94.4 | Very high | 125 Ų | 125 | 58.9 Ų | 58.9 | 47% | 0.472 | 32% | 0.319 | S | S | . | . | trans | -83.7 | 61.7 | -175.4 | -62.7 | 171.9 | -69.6 | 168.6 | 0.9 | 111.7 | P33 L144 E195 | P33-R197 WeakPolarHBondContact CD-O 3.45Å; L144-R197 HydrophobicContact CD2-CB 4.08Å; E195-R197 VanDerWaalsContact OE1-CB 3.24Å; E195-R197 WeakPolarHBondContact OE1-CB 3.49Å; E195-R197 VanDerWaalsContact OE1-CG 3.26Å; E195-R197 WeakPolarHBondContact OE1-CG 3.38Å; E195-R197 IonicContact OE1-CZ 3.9Å; E195-R197 PolarHBondContact OE1-N 3.41Å; E195-R197 IonicContact OE1-NE 3.62Å; E195-R197 PolarHBondContact OE1-NE 2.95Å; E195-R197 IonicContact OE1-NH2 3.59Å; E195-R197 IonicContact OE2-CZ 3.59Å; E195-R197 IonicContact OE2-NE 2.68Å; E195-R197 PolarHBondContact OE2-NE 3.33Å; E195-R197 IonicContact OE2-NH2 2.7Å; E195-R197 PolarHBondContact OE2-NH2 2.89Å | ||
| 198 | F | 97.8 | Very high | 92.3 | Very high | 37 Ų | 37 | 67 Ų | 67 | 16% | 0.162 | 35% | 0.348 | C | S | . | . | trans | -114.3 | 143.4 | 173.9 | -60 | -91.9 | 0 | 0 | 0 | 110.5 | L30 L31 F32 M189 E195 V196 | L30-F198 HydrophobicContact CD1-CD1 4.31Å; L31-F198 VanDerWaalsContact O-CA 3.3Å; L31-F198 WeakPolarHBondContact O-CA 3.36Å; F32-F198 HydrophobicContact CB-CD1 3.53Å; F32-F198 HydrophobicContact CB-CE1 3.58Å; M189-F198 HydrophobicContact CB-CE2 4.47Å; M189-F198 HydrophobicContact CB-CZ 4.39Å; M189-F198 HydrophobicContact CE-CB 3.78Å; M189-F198 HydrophobicContact CE-CD1 4.35Å; M189-F198 HydrophobicContact CE-CG 4.03Å; M189-F198 HydrophobicContact CG-CD1 3.99Å; M189-F198 HydrophobicContact CG-CD2 4.02Å; M189-F198 HydrophobicContact CG-CE1 3.98Å; M189-F198 HydrophobicContact CG-CE2 4.03Å; M189-F198 HydrophobicContact CG-CG 4Å; M189-F198 HydrophobicContact CG-CZ 4.02Å; E195-F198 HydrophobicContact CB-CE2 3.87Å; E195-F198 HydrophobicContact CB-CZ 4.27Å; E195-F198 HydrophobicContact CG-CE2 3.72Å; E195-F198 HydrophobicContact CG-CZ 4.05Å; E195-F198 WeakPolarHBondContact O-CE2 3.33Å; V196-F198 PolarHBondContact O-N 3.48Å | ||
| 199 | T | 98.1 | Very high | 92 | Very high | 65 Ų | 65 | 70 Ų | 70 | 40% | 0.399 | 36% | 0.364 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.2 | 138.6 | 170.9 | -56.9 | 0 | 0 | 0 | 0 | 108.8 | L30 L31 I201 | L30-T199 WeakPolarHBondContact CA-O 3.25Å; L31-T199 PolarHBondContact N-O 2.87Å; L31-T199 PolarHBondContact O-N 3.34Å; T199-I201 HydrophobicContact CG2-CG2 4.38Å |
| 200 | I | 98.6 | Very high | 91.7 | Very high | 9 Ų | 9 | 70.8 Ų | 70.8 | 5% | 0.046 | 37% | 0.369 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.8 | 130 | 175.6 | -57.6 | 177.9 | 0 | 0 | 0 | 108.5 | V10 L13 V28 L29 L30 C185 M189 | V10-I200 HydrophobicContact CB-CB 3.97Å; V10-I200 HydrophobicContact CB-CG2 3.86Å; V10-I200 HydrophobicContact CG1-CG2 4.4Å; V10-I200 HydrophobicContact CG2-CB 4.35Å; V10-I200 HydrophobicContact CG2-CG2 3.72Å; V10-I200 PolarHBondContact N-O 3.03Å; L13-I200 HydrophobicContact CD2-CD1 3.57Å; V28-I200 HydrophobicContact CG1-CG2 3.43Å; V28-I200 VanDerWaalsContact CG1-CG2 3.43Å; L29-I200 WeakPolarHBondContact O-CA 3.49Å; L30-I200 HydrophobicContact CD1-CD1 4.19Å; L30-I200 HydrophobicContact CD1-CG1 3.62Å; C185-I200 HydrophobicContact CB-CD1 3.72Å; M189-I200 HydrophobicContact CE-CD1 4.14Å |
| 201 | I | 98.6 | Very high | 91.4 | Very high | 35 Ų | 35 | 70.6 Ų | 70.6 | 18% | 0.179 | 36% | 0.355 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.9 | 142.5 | 171.8 | 62.4 | 179.9 | 0 | 0 | 0 | 109.4 | F7 G8 L29 T199 | F7-I201 HydrophobicContact CB-CD1 4.4Å; F7-I201 HydrophobicContact CD1-CB 4.12Å; F7-I201 HydrophobicContact CD1-CD1 3.73Å; F7-I201 HydrophobicContact CD1-CG1 3.7Å; F7-I201 HydrophobicContact CE1-CD1 4.21Å; F7-I201 HydrophobicContact CE1-CG1 4.15Å; F7-I201 HydrophobicContact CG-CD1 4.12Å; F7-I201 HydrophobicContact CG-CG1 4.49Å; G8-I201 CarbonylContact O-C 3.56Å; G8-I201 VanDerWaalsContact O-CA 3.29Å; G8-I201 WeakPolarHBondContact O-CA 3.39Å; L29-I201 HydrophobicContact CB-CD1 4.18Å; L29-I201 HydrophobicContact CB-CG1 3.66Å; L29-I201 HydrophobicContact CD2-CD1 4.27Å; L29-I201 PolarHBondContact N-O 3.39Å; L29-I201 PolarHBondContact O-N 3.17Å; T199-I201 HydrophobicContact CG2-CG2 4.38Å |
| 202 | A | 98.3 | Very high | 91.2 | Very high | 0 Ų | 0 | 71.6 Ų | 71.6 | 0% | 0 | 36% | 0.364 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.9 | 130.4 | -178 | 0 | 0 | 0 | 0 | 0 | 110.9 | F7 G8 V10 V21 V25 L178 S204 | F7-A202 WeakPolarHBondContact CA-O 3.21Å; G8-A202 PolarHBondContact N-O 2.92Å; G8-A202 PolarHBondContact O-N 2.98Å; V10-A202 HydrophobicContact CG2-CB 3.89Å; V21-A202 HydrophobicContact CG1-CB 3.72Å; V25-A202 HydrophobicContact CG1-CB 4.08Å; V25-A202 HydrophobicContact CG2-CB 4.38Å; L178-A202 HydrophobicContact CD1-CB 4.31Å; A202-S204 PolarHBondContact O-N 3.05Å |
| 203 | L | 97.4 | Very high | 91.1 | Very high | 1 Ų | 1 | 74.9 Ų | 74.9 | 1% | 0.005 | 38% | 0.38 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.8 | 101.3 | 171.5 | -175.4 | 57.5 | 0 | 0 | 0 | 108.7 | W5 F7 V25 C26 A27 | W5-L203 HydrophobicContact CB-CD1 3.89Å; W5-L203 HydrophobicContact CB-CG 4.41Å; W5-L203 HydrophobicContact CE3-CG 4.27Å; F7-L203 HydrophobicContact CD1-CB 4.06Å; F7-L203 HydrophobicContact CD2-CD1 4.01Å; F7-L203 HydrophobicContact CE1-CB 3.64Å; F7-L203 HydrophobicContact CE2-CB 4.39Å; F7-L203 HydrophobicContact CE2-CD1 3.92Å; F7-L203 HydrophobicContact CE2-CD2 4.45Å; F7-L203 HydrophobicContact CE2-CG 4.49Å; F7-L203 HydrophobicContact CG-CD1 4.38Å; F7-L203 HydrophobicContact CZ-CB 3.83Å; F7-L203 HydrophobicContact CZ-CD1 4.22Å; F7-L203 HydrophobicContact CZ-CD2 4.23Å; F7-L203 HydrophobicContact CZ-CG 4.32Å; V25-L203 WeakPolarHBondContact CA-O 3.45Å; C26-L203 PolarHBondContact N-O 3Å; A27-L203 HydrophobicContact CB-CB 4.08Å; A27-L203 HydrophobicContact CB-CD2 4.45Å; A27-L203 PolarHBondContact O-N 3.48Å |
| 204 | S | 96.1 | Very high | 90.9 | Very high | 5 Ų | 5 | 72.9 Ų | 72.9 | 4% | 0.035 | 36% | 0.36 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114 | 153.9 | -176 | 59 | 0 | 0 | 0 | 0 | 111.5 | W5 Q6 P22 P24 A202 D206 | W5-S204 CarbonylContact C-O 3.25Å; W5-S204 VanDerWaalsContact CA-O 3.26Å; W5-S204 WeakPolarHBondContact CA-O 3.43Å; Q6-S204 PolarHBondContact N-O 3.1Å; Q6-S204 PolarHBondContact O-N 3.14Å; Q6-S204 PolarHBondContact O-OG 3.01Å; P22-S204 WeakPolarHBondContact O-CB 3.42Å; P24-S204 WeakPolarHBondContact O-CA 3.2Å; A202-S204 PolarHBondContact O-N 3.05Å; S204-D206 PolarHBondContact O-N 3.33Å |
| 205 | K | 92.8 | Very high | 90.6 | Very high | 100 Ų | 100 | 65.8 Ų | 65.8 | 44% | 0.435 | 33% | 0.329 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.8 | 129.8 | 175.1 | -165 | 178.5 | -179.7 | -178.6 | 0 | 108.9 | S4 W5 P24 S207 | S4-K205 WeakPolarHBondContact O-CA 3.41Å; S4-K205 WeakPolarHBondContact O-CG 3.48Å; W5-K205 HydrophobicContact CD2-CB 4.13Å; W5-K205 HydrophobicContact CD2-CG 4.41Å; W5-K205 HydrophobicContact CE3-CB 4.06Å; W5-K205 HydrophobicContact CH2-CB 3.97Å; W5-K205 HydrophobicContact CZ2-CB 4.03Å; W5-K205 HydrophobicContact CZ2-CD 4.36Å; W5-K205 HydrophobicContact CZ2-CG 4.22Å; W5-K205 HydrophobicContact CZ3-CB 3.97Å; P24-K205 HydrophobicContact CG-CB 4.1Å; P24-K205 HydrophobicContact CG-CD 4.38Å; P24-K205 PolarHBondContact O-N 3.08Å; K205-S207 PolarHBondContact O-N 3.08Å |
| 206 | D | 82.7 | Confident | 90.2 | Very high | 51 Ų | 51 | 68.3 Ų | 68.3 | 27% | 0.273 | 34% | 0.342 | S | S | . | . | trans | -62.4 | 134.3 | 176.7 | -158.5 | -4.7 | 0 | 0 | 0 | 109.4 | S4 Q6 S204 F208 | S4-D206 PolarHBondContact O-N 3.12Å; Q6-D206 PolarHBondContact NE2-OD2 3.34Å; S204-D206 PolarHBondContact O-N 3.33Å; D206-F208 WeakPolarHBondContact OD1-CD2 3.42Å | ||
| 207 | S | 66.3 | Low | 89.7 | Confident | 82 Ų | 82 | 63.7 Ų | 63.7 | 57% | 0.573 | 31% | 0.308 | S | S | * | . | trans | -101.9 | 10.5 | -171.1 | -62.9 | 0 | 0 | 0 | 0 | 113.1 | K205 | K205-S207 PolarHBondContact O-N 3.08Š| ||
| 208 | F | 52.7 | Low | 89 | Confident | 254 Ų | 254 | 58.1 Ų | 58.1 | 100% | 1.114 | 29% | 0.293 | S | S | * | . | trans | -111.1 | 0 | -177 | -62.6 | -74 | 0 | 0 | 0 | 113.7 | D206 | D206-F208 WeakPolarHBondContact OD1-CD2 3.42Š|
Retrieved 208 of 208 residues in 457.7 ms
(Link to these results)