| 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 | 51.1 | Low | 80.7 | Confident | 146 Ų | 146 | 68.2 Ų | 68.2 | 72% | 0.719 | 36% | 0.356 | S | S | * | . | 0 | -24.7 | 0 | -74.4 | 176.5 | 85.5 | 0 | 0 | 113.9 | T3 F4 Q321 | M1-T3 VanDerWaalsContact C-N 3.28Å; M1-T3 PolarHBondContact O-N 2.89Å; M1-T3 VanDerWaalsContact O-N 3.16Å; M1-F4 HydrophobicContact CB-CE1 4.12Å; M1-F4 HydrophobicContact CB-CZ 4.4Å; M1-F4 WeakPolarHBondContact O-CD1 3.3Å; M1-F4 WeakPolarHBondContact O-CE1 3.45Å; M1-F4 WeakPolarHBondContact O-CZ 3.5Å; M1-Q321 HydrophobicContact CE-CB 4.31Å; M1-Q321 HydrophobicContact CE-CG 4.2Å | |||
| 2 | Q | 56.5 | Low | 82.2 | Confident | 67 Ų | 67 | 63.2 Ų | 63.2 | 31% | 0.313 | 33% | 0.329 | S | S | . | . | G | 310 helix | trans | -79.4 | 4.4 | -173.9 | -67.6 | 176.6 | -6.4 | 0 | 0 | 116.3 | L5 R34 N314 | Q2-L5 HydrophobicContact CB-CD1 4.13Å; Q2-L5 HydrophobicContact CG-CD1 4.23Å; Q2-R34 VanDerWaalsContact OE1-NH2 3.1Å; Q2-N314 PolarHBondContact NE2-OD1 2.93Å |
| 3 | T | 64.3 | Low | 83.5 | Confident | 133 Ų | 133 | 61.8 Ų | 61.8 | 82% | 0.816 | 32% | 0.317 | S | S | * | . | G | 310 helix | trans | -81.8 | -23.2 | -173.4 | 46.8 | 0 | 0 | 0 | 0 | 114.4 | M1 | M1-T3 VanDerWaalsContact C-N 3.28Å; M1-T3 PolarHBondContact O-N 2.89Å; M1-T3 VanDerWaalsContact O-N 3.16Å |
| 4 | F | 73.6 | Confident | 84.5 | Confident | 58 Ų | 58 | 57.7 Ų | 57.7 | 25% | 0.254 | 30% | 0.296 | S | S | . | . | G | 310 helix | trans | -87.9 | -0.6 | 179.9 | 56 | -106.9 | 0 | 0 | 0 | 114.1 | M1 K6 A317 L320 Q321 | M1-F4 HydrophobicContact CB-CE1 4.12Å; M1-F4 HydrophobicContact CB-CZ 4.4Å; M1-F4 WeakPolarHBondContact O-CD1 3.3Å; M1-F4 WeakPolarHBondContact O-CE1 3.45Å; M1-F4 WeakPolarHBondContact O-CZ 3.5Å; F4-K6 VanDerWaalsContact C-N 3.28Å; F4-K6 PolarHBondContact O-N 3.07Å; F4-A317 HydrophobicContact CE2-CB 4.09Å; F4-A317 VanDerWaalsContact CE2-O 3.27Å; F4-A317 WeakPolarHBondContact CE2-O 3.48Å; F4-A317 HydrophobicContact CZ-CB 4.09Å; F4-A317 VanDerWaalsContact CZ-O 3.29Å; F4-A317 WeakPolarHBondContact CZ-O 3.42Å; F4-L320 HydrophobicContact CE2-CB 4.26Å; F4-Q321 HydrophobicContact CE1-CB 4.21Å; F4-Q321 HydrophobicContact CE1-CG 4.45Å; F4-Q321 HydrophobicContact CE2-CB 4.31Å; F4-Q321 HydrophobicContact CZ-CB 3.75Å; F4-Q321 HydrophobicContact CZ-CG 4.45Å |
| 5 | L | 77.4 | Confident | 85.4 | Confident | 0 Ų | 0 | 57.1 Ų | 57.1 | 0% | 0 | 30% | 0.299 | C | S | . | . | G | 310 helix | trans | -75.7 | -17.8 | -179.3 | -67.8 | 174.6 | 0 | 0 | 0 | 113 | Q2 G7 K8 I36 L313 A317 L320 | Q2-L5 HydrophobicContact CB-CD1 4.13Å; Q2-L5 HydrophobicContact CG-CD1 4.23Å; L5-G7 PolarHBondContact O-N 3.41Å; L5-K8 WeakPolarHBondContact O-CB 3.4Å; L5-K8 WeakPolarHBondContact O-CG 3.36Å; L5-K8 PolarHBondContact O-N 3.19Å; L5-I36 HydrophobicContact CB-CD1 3.94Å; L5-I36 HydrophobicContact CB-CG1 3.84Å; L5-I36 HydrophobicContact CD1-CD1 4.16Å; L5-I36 HydrophobicContact CD2-CD1 4.04Å; L5-I36 HydrophobicContact CG-CD1 4.27Å; L5-I36 VanDerWaalsContact O-CG1 3.31Å; L5-I36 WeakPolarHBondContact O-CG1 3.44Å; L5-L313 HydrophobicContact CD1-CD1 4.21Å; L5-A317 HydrophobicContact CD1-CB 4.09Å; L5-A317 HydrophobicContact CD2-CB 3.86Å; L5-A317 HydrophobicContact CG-CB 4.3Å; L5-L320 HydrophobicContact CD2-CD1 3.84Å |
| 6 | K | 84.1 | Confident | 86.1 | Confident | 174 Ų | 174 | 61.4 Ų | 61.4 | 76% | 0.757 | 32% | 0.317 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.5 | 127.8 | -176.9 | -171.4 | 177.4 | -179.3 | -177.8 | 0 | 110.6 | F4 K8 G35 | F4-K6 VanDerWaalsContact C-N 3.28Å; F4-K6 PolarHBondContact O-N 3.07Å; K6-K8 VanDerWaalsContact C-N 3.29Å; K6-G35 WeakPolarHBondContact CA-O 3.5Å |
| 7 | G | 89.1 | Confident | 86.6 | Confident | 57 Ų | 57 | 68.2 Ų | 68.2 | 59% | 0.588 | 34% | 0.344 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 83.6 | 2.3 | -178.6 | 0 | 0 | 0 | 0 | 0 | 114.1 | L5 G35 | L5-G7 PolarHBondContact O-N 3.41Å; G7-G35 PolarHBondContact N-O 3.04Å |
| 8 | K | 96.4 | Very high | 87.2 | Confident | 60 Ų | 60 | 65.7 Ų | 65.7 | 26% | 0.261 | 33% | 0.33 | S | S | . | . | trans | -77 | 147.1 | 172.5 | -63.4 | -65.5 | -174.2 | -173.7 | 0 | 110.9 | L5 K6 I36 E37 D54 L320 | L5-K8 WeakPolarHBondContact O-CB 3.4Å; L5-K8 WeakPolarHBondContact O-CG 3.36Å; L5-K8 PolarHBondContact O-N 3.19Å; K6-K8 VanDerWaalsContact C-N 3.29Å; K8-I36 CarbonylContact O-C 3.51Å; K8-I36 VanDerWaalsContact O-CA 3.31Å; K8-I36 WeakPolarHBondContact O-CA 3.15Å; K8-I36 WeakPolarHBondContact O-CG2 3.3Å; K8-E37 PolarHBondContact O-N 3.33Å; K8-D54 VanDerWaalsContact CA-OD2 3.24Å; K8-D54 WeakPolarHBondContact CA-OD2 3.33Å; K8-D54 HydrophobicContact CD-CB 4.05Å; K8-D54 WeakPolarHBondContact CD-OD1 3.38Å; K8-D54 WeakPolarHBondContact CD-OD2 3.43Å; K8-D54 IonicContact NZ-OD1 3.24Å; K8-D54 PolarHBondContact NZ-OD1 3.12Å; K8-L320 HydrophobicContact CB-CD1 4.32Å; K8-L320 HydrophobicContact CD-CD1 4.33Å; K8-L320 HydrophobicContact CD-CD2 4.2Å; K8-L320 HydrophobicContact CG-CD1 4Å | ||
| 9 | R | 98.2 | Very high | 87.7 | Confident | 54 Ų | 54 | 62.8 Ų | 62.8 | 20% | 0.204 | 32% | 0.316 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.6 | 121.5 | -175.7 | -167 | 165.4 | 150.6 | -162.9 | -2.8 | 111.4 | E37 Q50 G51 P52 L53 D54 V55 | R9-E37 CarbonylContact C-O 3.48Å; R9-E37 WeakPolarHBondContact CA-O 3.26Å; R9-E37 HydrophobicContact CB-CB 4.27Å; R9-E37 WeakPolarHBondContact CD-OE2 3.28Å; R9-E37 HydrophobicContact CG-CB 3.9Å; R9-Q50 PolarHBondContact NH2-O 3.48Å; R9-G51 PolarHBondContact NH1-O 2.83Å; R9-G51 PolarHBondContact NH2-O 2.9Å; R9-P52 VanDerWaalsContact CD-O 3.26Å; R9-P52 WeakPolarHBondContact CD-O 3.38Å; R9-P52 PolarHBondContact NE-O 3.44Å; R9-L53 HydrophobicContact CG-CD2 4.12Å; R9-D54 PolarHBondContact N-OD2 3.01Å; R9-D54 PolarHBondContact O-N 3.26Å; R9-V55 PolarHBondContact O-N 3.46Å |
| 10 | V | 98.6 | Very high | 88.2 | Confident | 1 Ų | 1 | 68.8 Ų | 68.8 | 1% | 0.006 | 34% | 0.34 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.4 | 113.7 | -175.7 | -179.2 | 0 | 0 | 0 | 0 | 109.4 | I36 E37 V38 V39 V55 I57 I316 | V10-I36 HydrophobicContact CB-CG2 4.35Å; V10-I36 HydrophobicContact CG2-CG2 3.57Å; V10-E37 PolarHBondContact N-O 3.03Å; V10-V38 HydrophobicContact CB-CG2 4.41Å; V10-V38 CarbonylContact O-C 3.54Å; V10-V38 VanDerWaalsContact O-CA 3.32Å; V10-V38 WeakPolarHBondContact O-CA 3.44Å; V10-V39 PolarHBondContact O-N 3.33Å; V10-V55 CarbonylContact C-O 3.54Å; V10-V55 VanDerWaalsContact CA-O 3.3Å; V10-V55 WeakPolarHBondContact CA-O 3.31Å; V10-V55 HydrophobicContact CG1-CB 4.4Å; V10-V55 HydrophobicContact CG2-CB 4.21Å; V10-I57 HydrophobicContact CG1-CD1 3.68Å; V10-I57 HydrophobicContact CG1-CG1 4.02Å; V10-I316 HydrophobicContact CG2-CG2 4.48Å |
| 11 | G | 98.6 | Very high | 88.6 | Confident | 0 Ų | 0 | 71 Ų | 71 | 0% | 0 | 35% | 0.347 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.6 | 145.1 | 166.5 | 0 | 0 | 0 | 0 | 0 | 110.3 | V39 V55 I56 I57 | G11-V39 CarbonylContact C-O 3.53Å; G11-V39 WeakPolarHBondContact CA-O 3.32Å; G11-V55 PolarHBondContact N-O 2.88Å; G11-I56 CarbonylContact O-C 3.59Å; G11-I56 VanDerWaalsContact O-CA 3.29Å; G11-I56 WeakPolarHBondContact O-CA 3.37Å; G11-I57 PolarHBondContact O-N 3.29Å |
| 12 | Y | 98.8 | Very high | 90.7 | Very high | 8 Ų | 8 | 64.9 Ų | 64.9 | 3% | 0.031 | 32% | 0.317 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.6 | 142.3 | 167.4 | 73.5 | -89.7 | 0 | 0 | 0 | 113.8 | L14 I19 F24 Q25 V38 V39 Q40 L41 I57 | Y12-L14 HydrophobicContact CD2-CD1 4.23Å; Y12-L14 HydrophobicContact CD2-CG 4.24Å; Y12-I19 HydrophobicContact CE2-CD1 3.94Å; Y12-I19 HydrophobicContact CE2-CG1 4.26Å; Y12-F24 HydrophobicContact CD1-CD1 4.25Å; Y12-F24 AromaticContact CD1-CE1 3.77Å; Y12-F24 HydrophobicContact CD1-CE1 3.77Å; Y12-F24 AromaticContact CD2-CD1 3.89Å; Y12-F24 HydrophobicContact CD2-CD1 3.89Å; Y12-F24 AromaticContact CD2-CE1 3.78Å; Y12-F24 HydrophobicContact CD2-CE1 3.78Å; Y12-F24 HydrophobicContact CE1-CD1 4.26Å; Y12-F24 HydrophobicContact CE1-CE1 4.21Å; Y12-F24 AromaticContact CE2-CD1 3.93Å; Y12-F24 HydrophobicContact CE2-CD1 3.93Å; Y12-F24 HydrophobicContact CE2-CE1 4.26Å; Y12-F24 HydrophobicContact CG-CD1 4.06Å; Y12-F24 AromaticContact CG-CE1 3.52Å; Y12-F24 HydrophobicContact CG-CE1 3.52Å; Y12-Q25 PolarHBondContact OH-NE2 3.49Å; Y12-V38 HydrophobicContact CD1-CG1 3.62Å; Y12-V38 HydrophobicContact CE1-CG1 3.82Å; Y12-V39 VanDerWaalsContact CD1-O 3.32Å; Y12-V39 WeakPolarHBondContact CD1-O 3.44Å; Y12-V39 PolarHBondContact N-O 3.48Å; Y12-Q40 HydrophobicContact CD2-CG 4.3Å; Y12-Q40 HydrophobicContact CE1-CB 3.87Å; Y12-Q40 HydrophobicContact CE2-CB 3.87Å; Y12-Q40 HydrophobicContact CE2-CG 3.62Å; Y12-Q40 VanDerWaalsContact CZ-CB 3.47Å; Y12-Q40 WeakPolarHBondContact OH-CB 3.32Å; Y12-Q40 PolarHBondContact OH-OE1 2.65Å; Y12-Q40 VanDerWaalsContact OH-OE1 3.05Å; Y12-L41 PolarHBondContact O-N 3.08Å; Y12-I57 CarbonylContact C-O 3.6Å; Y12-I57 WeakPolarHBondContact CA-O 3.45Å; Y12-I57 WeakPolarHBondContact CB-O 3.31Å |
| 13 | W | 98.7 | Very high | 92.6 | Very high | 45 Ų | 45 | 66.4 Ų | 66.4 | 17% | 0.17 | 33% | 0.328 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.1 | 111.6 | 170 | -166.9 | 90.3 | 0 | 0 | 0 | 110.8 | L43 I57 H58 K59 L60 V63 | W13-L43 HydrophobicContact CB-CD1 4.49Å; W13-L43 VanDerWaalsContact CD1-CD1 3.49Å; W13-L43 VanDerWaalsContact CD1-CG 3.42Å; W13-L43 HydrophobicContact CD2-CD1 4.11Å; W13-L43 HydrophobicContact CG-CD1 3.76Å; W13-L43 HydrophobicContact CG-CG 4.11Å; W13-I57 PolarHBondContact N-O 2.96Å; W13-H58 HydrophobicContact CB-CB 4.06Å; W13-H58 CarbonylContact O-C 3.54Å; W13-H58 WeakPolarHBondContact O-CA 3.37Å; W13-H58 WeakPolarHBondContact O-CB 3.1Å; W13-K59 VanDerWaalsContact CZ3-O 3.28Å; W13-K59 WeakPolarHBondContact CZ3-O 3.43Å; W13-K59 PolarHBondContact O-N 3.48Å; W13-L60 HydrophobicContact CD2-CD2 3.53Å; W13-L60 HydrophobicContact CD2-CG 4.18Å; W13-L60 HydrophobicContact CE3-CB 4.49Å; W13-L60 HydrophobicContact CE3-CD2 3.29Å; W13-L60 HydrophobicContact CE3-CG 3.68Å; W13-L60 HydrophobicContact CG-CD2 4.27Å; W13-L60 HydrophobicContact CH2-CD2 3.98Å; W13-L60 HydrophobicContact CZ2-CD2 4.13Å; W13-L60 HydrophobicContact CZ3-CD2 3.56Å; W13-L60 HydrophobicContact CZ3-CG 4.17Å; W13-V63 HydrophobicContact CH2-CB 4.48Å; W13-V63 HydrophobicContact CH2-CG2 3.18Å; W13-V63 HydrophobicContact CZ2-CG2 3.76Å; W13-V63 HydrophobicContact CZ3-CG2 3.89Å |
| 14 | L | 98.4 | Very high | 94.2 | Very high | 5 Ų | 5 | 60 Ų | 60 | 3% | 0.026 | 29% | 0.289 | C | S | . | . | trans | -139.5 | 146.8 | 178.2 | -62 | 174.3 | 0 | 0 | 0 | 108 | Y12 K18 I19 F24 K59 F299 | Y12-L14 HydrophobicContact CD2-CD1 4.23Å; Y12-L14 HydrophobicContact CD2-CG 4.24Å; L14-K18 HydrophobicContact CB-CB 4.5Å; L14-K18 HydrophobicContact CD2-CD 3.85Å; L14-K18 HydrophobicContact CD2-CG 4.4Å; L14-I19 HydrophobicContact CB-CD1 4.31Å; L14-I19 HydrophobicContact CB-CG1 3.67Å; L14-I19 HydrophobicContact CD1-CG1 4.38Å; L14-I19 WeakPolarHBondContact O-CD1 3.32Å; L14-F24 HydrophobicContact CD1-CB 4.42Å; L14-F24 HydrophobicContact CD1-CD1 3.96Å; L14-F24 HydrophobicContact CD1-CD2 3.87Å; L14-F24 HydrophobicContact CD1-CE1 4.13Å; L14-F24 HydrophobicContact CD1-CE2 4.05Å; L14-F24 HydrophobicContact CD1-CG 3.82Å; L14-F24 HydrophobicContact CD1-CZ 4.17Å; L14-K59 HydrophobicContact CD2-CB 3.82Å; L14-F299 HydrophobicContact CD2-CD2 4.27Å; L14-F299 HydrophobicContact CD2-CE2 3.81Å; L14-F299 HydrophobicContact CD2-CZ 4.34Å | ||
| 15 | S | 96.8 | Very high | 95.3 | Very high | 48 Ų | 48 | 62.3 Ų | 62.3 | 34% | 0.336 | 30% | 0.3 | S | S | . | . | trans | -62.5 | 148.9 | 170.3 | 66.7 | 0 | 0 | 0 | 0 | 110.7 | K17 K18 I19 | S15-K17 PolarHBondContact O-N 3Å; S15-K17 VanDerWaalsContact O-N 3.12Å; S15-K18 WeakPolarHBondContact O-CA 3.36Å; S15-K18 PolarHBondContact O-N 3Å; S15-K18 PolarHBondContact OG-N 3.49Å; S15-I19 WeakPolarHBondContact O-CG1 3.45Å; S15-I19 PolarHBondContact O-N 3.08Å | ||
| 16 | E | 96.4 | Very high | 96.2 | Very high | 126 Ų | 126 | 64.2 Ų | 64.2 | 59% | 0.589 | 32% | 0.316 | S | S | * | . | H | α-helix | trans | -53.8 | -36.9 | 178 | -67.3 | -56.2 | 140.6 | 0 | 0 | 112.4 | K18 I19 K20 Q40 | E16-K18 VanDerWaalsContact C-N 3.35Å; E16-K18 PolarHBondContact O-N 2.94Å; E16-I19 PolarHBondContact O-N 3.32Å; E16-K20 WeakPolarHBondContact O-CB 3.35Å; E16-K20 PolarHBondContact O-N 3.02Å; E16-Q40 PolarHBondContact OE1-NE2 3.48Å |
| 17 | K | 95.9 | Very high | 96.9 | Very high | 178 Ų | 178 | 55.9 Ų | 55.9 | 77% | 0.774 | 28% | 0.28 | S | S | * | . | H | α-helix | trans | -58.9 | -43.7 | 173.4 | -175.3 | 178.9 | 179.4 | -179.5 | 0 | 112 | S15 K21 | S15-K17 PolarHBondContact O-N 3Å; S15-K17 VanDerWaalsContact O-N 3.12Å; K17-K21 VanDerWaalsContact O-CB 3.28Å; K17-K21 WeakPolarHBondContact O-CB 3.48Å; K17-K21 PolarHBondContact O-N 3.38Å |
| 18 | K | 96.6 | Very high | 97.3 | Very high | 22 Ų | 22 | 53.5 Ų | 53.5 | 10% | 0.096 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -74.6 | -38.4 | 179.6 | -174 | 168 | 172.4 | 78.5 | 0 | 112 | L14 S15 E16 K20 K21 L22 K59 F299 P300 | L14-K18 HydrophobicContact CB-CB 4.5Å; L14-K18 HydrophobicContact CD2-CD 3.85Å; L14-K18 HydrophobicContact CD2-CG 4.4Å; S15-K18 WeakPolarHBondContact O-CA 3.36Å; S15-K18 PolarHBondContact O-N 3Å; S15-K18 PolarHBondContact OG-N 3.49Å; E16-K18 VanDerWaalsContact C-N 3.35Å; E16-K18 PolarHBondContact O-N 2.94Å; K18-K20 VanDerWaalsContact C-N 3.33Å; K18-K20 PolarHBondContact O-N 3.27Å; K18-K21 PolarHBondContact O-N 3.19Å; K18-L22 HydrophobicContact CD-CD1 4.48Å; K18-L22 HydrophobicContact CG-CD1 3.88Å; K18-L22 HydrophobicContact CG-CG 4.28Å; K18-L22 WeakPolarHBondContact O-CB 3.44Å; K18-L22 PolarHBondContact O-N 3.04Å; K18-K59 HydrophobicContact CD-CB 3.95Å; K18-K59 HydrophobicContact CD-CD 3.56Å; K18-K59 HydrophobicContact CD-CG 4.34Å; K18-F299 PolarHBondContact NZ-O 3.44Å; K18-P300 PolarHBondContact NZ-O 3.2Å |
| 19 | I | 97.8 | Very high | 97.3 | Very high | 11 Ų | 11 | 54.1 Ų | 54.1 | 6% | 0.056 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -55.9 | -50.5 | 173.4 | -66.2 | 171.7 | 0 | 0 | 0 | 109.9 | Y12 L14 S15 E16 N23 F24 | Y12-I19 HydrophobicContact CE2-CD1 3.94Å; Y12-I19 HydrophobicContact CE2-CG1 4.26Å; L14-I19 HydrophobicContact CB-CD1 4.31Å; L14-I19 HydrophobicContact CB-CG1 3.67Å; L14-I19 HydrophobicContact CD1-CG1 4.38Å; L14-I19 WeakPolarHBondContact O-CD1 3.32Å; S15-I19 WeakPolarHBondContact O-CG1 3.45Å; S15-I19 PolarHBondContact O-N 3.08Å; E16-I19 PolarHBondContact O-N 3.32Å; I19-N23 WeakPolarHBondContact O-CA 3.08Å; I19-N23 PolarHBondContact O-N 3Å; I19-F24 HydrophobicContact CG2-CB 4.3Å; I19-F24 PolarHBondContact O-N 3.07Å |
| 20 | K | 97.4 | Very high | 97.2 | Very high | 183 Ų | 183 | 53.7 Ų | 53.7 | 80% | 0.796 | 26% | 0.26 | S | S | * | . | H | α-helix | trans | -63.1 | -46.8 | 178.4 | -174.5 | 176 | -179.2 | 178.1 | 0 | 111.9 | E16 K18 L22 N23 | E16-K20 WeakPolarHBondContact O-CB 3.35Å; E16-K20 PolarHBondContact O-N 3.02Å; K18-K20 VanDerWaalsContact C-N 3.33Å; K18-K20 PolarHBondContact O-N 3.27Å; K20-L22 PolarHBondContact O-N 2.84Å; K20-N23 PolarHBondContact O-N 2.97Å |
| 21 | K | 95.5 | Very high | 97.1 | Very high | 114 Ų | 114 | 53.7 Ų | 53.7 | 50% | 0.496 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -63.6 | -41.3 | -177.5 | -178.2 | 171.6 | -180 | 170.5 | 0 | 113 | K17 K18 N23 E303 | K17-K21 VanDerWaalsContact O-CB 3.28Å; K17-K21 WeakPolarHBondContact O-CB 3.48Å; K17-K21 PolarHBondContact O-N 3.38Å; K18-K21 PolarHBondContact O-N 3.19Å; K21-N23 VanDerWaalsContact C-N 3.3Å; K21-E303 WeakPolarHBondContact CE-OE1 3.44Å; K21-E303 IonicContact NZ-OE1 2.73Å; K21-E303 PolarHBondContact NZ-OE1 3.46Å |
| 22 | L | 96.3 | Very high | 97 | Very high | 19 Ų | 19 | 61 Ų | 61 | 10% | 0.099 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -78.9 | -15.1 | 177.1 | -70 | 176.7 | 0 | 0 | 0 | 112.5 | K18 K20 F24 F299 G301 F308 F309 | K18-L22 HydrophobicContact CD-CD1 4.48Å; K18-L22 HydrophobicContact CG-CD1 3.88Å; K18-L22 HydrophobicContact CG-CG 4.28Å; K18-L22 WeakPolarHBondContact O-CB 3.44Å; K18-L22 PolarHBondContact O-N 3.04Å; K20-L22 PolarHBondContact O-N 2.84Å; L22-F24 VanDerWaalsContact C-N 3.31Å; L22-F24 HydrophobicContact CB-CB 4.49Å; L22-F24 HydrophobicContact CD1-CD2 4.35Å; L22-F299 HydrophobicContact CD1-CE1 3.7Å; L22-F299 HydrophobicContact CD1-CZ 3.99Å; L22-G301 WeakPolarHBondContact CD2-O 3.42Å; L22-F308 HydrophobicContact CD1-CE1 4.36Å; L22-F308 HydrophobicContact CD2-CE1 4.13Å; L22-F309 WeakPolarHBondContact O-CZ 3.48Å |
| 23 | N | 96.6 | Very high | 96.8 | Very high | 98 Ų | 98 | 68 Ų | 68 | 52% | 0.524 | 32% | 0.318 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 53.9 | 47.9 | -164 | -172.9 | 24.2 | 0 | 0 | 0 | 111.9 | I19 K20 K21 Q25 A26 F309 | I19-N23 WeakPolarHBondContact O-CA 3.08Å; I19-N23 PolarHBondContact O-N 3Å; K20-N23 PolarHBondContact O-N 2.97Å; K21-N23 VanDerWaalsContact C-N 3.3Å; N23-Q25 PolarHBondContact O-N 3.03Å; N23-A26 WeakPolarHBondContact O-CB 2.71Å; N23-A26 PolarHBondContact O-N 3.17Å; N23-F309 WeakPolarHBondContact O-CZ 3.33Å |
| 24 | F | 97 | Very high | 96.6 | Very high | 0 Ų | 0 | 71 Ų | 71 | 0% | 0 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -62.9 | -16.5 | -169.8 | -156.5 | -106 | 0 | 0 | 0 | 114 | Y12 L14 I19 L22 A26 F27 A28 I57 F309 L312 | Y12-F24 HydrophobicContact CD1-CD1 4.25Å; Y12-F24 AromaticContact CD1-CE1 3.77Å; Y12-F24 HydrophobicContact CD1-CE1 3.77Å; Y12-F24 AromaticContact CD2-CD1 3.89Å; Y12-F24 HydrophobicContact CD2-CD1 3.89Å; Y12-F24 AromaticContact CD2-CE1 3.78Å; Y12-F24 HydrophobicContact CD2-CE1 3.78Å; Y12-F24 HydrophobicContact CE1-CD1 4.26Å; Y12-F24 HydrophobicContact CE1-CE1 4.21Å; Y12-F24 AromaticContact CE2-CD1 3.93Å; Y12-F24 HydrophobicContact CE2-CD1 3.93Å; Y12-F24 HydrophobicContact CE2-CE1 4.26Å; Y12-F24 HydrophobicContact CG-CD1 4.06Å; Y12-F24 AromaticContact CG-CE1 3.52Å; Y12-F24 HydrophobicContact CG-CE1 3.52Å; L14-F24 HydrophobicContact CD1-CB 4.42Å; L14-F24 HydrophobicContact CD1-CD1 3.96Å; L14-F24 HydrophobicContact CD1-CD2 3.87Å; L14-F24 HydrophobicContact CD1-CE1 4.13Å; L14-F24 HydrophobicContact CD1-CE2 4.05Å; L14-F24 HydrophobicContact CD1-CG 3.82Å; L14-F24 HydrophobicContact CD1-CZ 4.17Å; I19-F24 HydrophobicContact CG2-CB 4.3Å; I19-F24 PolarHBondContact O-N 3.07Å; L22-F24 VanDerWaalsContact C-N 3.31Å; L22-F24 HydrophobicContact CB-CB 4.49Å; L22-F24 HydrophobicContact CD1-CD2 4.35Å; F24-A26 VanDerWaalsContact C-N 3.28Å; F24-A26 PolarHBondContact O-N 3.47Å; F24-F27 HydrophobicContact CD1-CD1 4.46Å; F24-F27 HydrophobicContact CD2-CB 4.27Å; F24-F27 HydrophobicContact CD2-CD1 4.29Å; F24-F27 AromaticContact CE1-CD1 3.83Å; F24-F27 HydrophobicContact CE1-CD1 3.83Å; F24-F27 HydrophobicContact CE1-CE1 4.41Å; F24-F27 HydrophobicContact CE2-CB 4.37Å; F24-F27 AromaticContact CE2-CD1 3.63Å; F24-F27 HydrophobicContact CE2-CD1 3.63Å; F24-F27 HydrophobicContact CE2-CE1 4.24Å; F24-F27 HydrophobicContact CE2-CG 4.16Å; F24-F27 AromaticContact CZ-CD1 3.38Å; F24-F27 HydrophobicContact CZ-CD1 3.38Å; F24-F27 AromaticContact CZ-CE1 3.77Å; F24-F27 HydrophobicContact CZ-CE1 3.77Å; F24-F27 HydrophobicContact CZ-CG 4.33Å; F24-F27 WeakPolarHBondContact O-CB 3.1Å; F24-F27 PolarHBondContact O-N 3.05Å; F24-F27 VanDerWaalsContact O-N 3.17Å; F24-A28 PolarHBondContact O-N 2.89Å; F24-I57 HydrophobicContact CZ-CD1 4.33Å; F24-I57 HydrophobicContact CZ-CG2 4.31Å; F24-F309 HydrophobicContact CD2-CE1 4.47Å; F24-L312 HydrophobicContact CE2-CD2 3.99Å; F24-L312 HydrophobicContact CZ-CD2 4.46Å |
| 25 | Q | 96.1 | Very high | 96.4 | Very high | 105 Ų | 105 | 72.2 Ų | 72.2 | 49% | 0.491 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -62.4 | -34 | 172 | -64.2 | -58.1 | -30.6 | 0 | 0 | 112.6 | Y12 N23 F27 A28 E29 | Y12-Q25 PolarHBondContact OH-NE2 3.49Å; N23-Q25 PolarHBondContact O-N 3.03Å; Q25-F27 VanDerWaalsContact C-N 3.31Å; Q25-F27 PolarHBondContact O-N 3.17Å; Q25-A28 PolarHBondContact O-N 3.41Å; Q25-E29 PolarHBondContact O-N 2.77Å; Q25-E29 VanDerWaalsContact O-N 3.08Å |
| 26 | A | 97.4 | Very high | 96.4 | Very high | 40 Ų | 40 | 70.1 Ų | 70.1 | 33% | 0.331 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -66.8 | -34.3 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | N23 F24 E29 L30 F309 | N23-A26 WeakPolarHBondContact O-CB 2.71Å; N23-A26 PolarHBondContact O-N 3.17Å; F24-A26 VanDerWaalsContact C-N 3.28Å; F24-A26 PolarHBondContact O-N 3.47Å; A26-E29 PolarHBondContact O-N 2.98Å; A26-L30 PolarHBondContact O-N 3.38Å; A26-F309 HydrophobicContact CB-CD2 4.45Å; A26-F309 HydrophobicContact CB-CE2 3.76Å; A26-F309 HydrophobicContact CB-CZ 4.48Å |
| 27 | F | 98 | Very high | 96.4 | Very high | 0 Ų | 0 | 69.7 Ų | 69.7 | 0% | 0 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -66.4 | -44.8 | 172.2 | 177.7 | -107.5 | 0 | 0 | 0 | 112.1 | F24 Q25 E29 L30 C31 I57 F309 L312 L313 I316 | F24-F27 HydrophobicContact CD1-CD1 4.46Å; F24-F27 HydrophobicContact CD2-CB 4.27Å; F24-F27 HydrophobicContact CD2-CD1 4.29Å; F24-F27 AromaticContact CE1-CD1 3.83Å; F24-F27 HydrophobicContact CE1-CD1 3.83Å; F24-F27 HydrophobicContact CE1-CE1 4.41Å; F24-F27 HydrophobicContact CE2-CB 4.37Å; F24-F27 AromaticContact CE2-CD1 3.63Å; F24-F27 HydrophobicContact CE2-CD1 3.63Å; F24-F27 HydrophobicContact CE2-CE1 4.24Å; F24-F27 HydrophobicContact CE2-CG 4.16Å; F24-F27 AromaticContact CZ-CD1 3.38Å; F24-F27 HydrophobicContact CZ-CD1 3.38Å; F24-F27 AromaticContact CZ-CE1 3.77Å; F24-F27 HydrophobicContact CZ-CE1 3.77Å; F24-F27 HydrophobicContact CZ-CG 4.33Å; F24-F27 WeakPolarHBondContact O-CB 3.1Å; F24-F27 PolarHBondContact O-N 3.05Å; F24-F27 VanDerWaalsContact O-N 3.17Å; Q25-F27 VanDerWaalsContact C-N 3.31Å; Q25-F27 PolarHBondContact O-N 3.17Å; F27-E29 VanDerWaalsContact C-N 3.26Å; F27-E29 PolarHBondContact O-N 2.83Å; F27-L30 WeakPolarHBondContact O-CB 3.44Å; F27-L30 PolarHBondContact O-N 3.16Å; F27-L30 VanDerWaalsContact O-N 3.08Å; F27-C31 WeakPolarHBondContact CZ-SG 3.49Å; F27-C31 PolarHBondContact O-N 3.38Å; F27-I57 HydrophobicContact CE1-CD1 3.94Å; F27-I57 HydrophobicContact CZ-CD1 4.35Å; F27-F309 HydrophobicContact CB-CD1 3.59Å; F27-F309 HydrophobicContact CB-CD2 4.37Å; F27-F309 HydrophobicContact CB-CE1 3.59Å; F27-F309 HydrophobicContact CB-CE2 4.38Å; F27-F309 HydrophobicContact CB-CG 3.97Å; F27-F309 HydrophobicContact CB-CZ 3.96Å; F27-F309 HydrophobicContact CD2-CB 3.95Å; F27-F309 AromaticContact CD2-CD1 3.85Å; F27-F309 HydrophobicContact CD2-CD1 3.85Å; F27-F309 HydrophobicContact CD2-CG 4.09Å; F27-F309 HydrophobicContact CG-CD1 4.02Å; F27-F309 HydrophobicContact CG-CE1 4.37Å; F27-F309 HydrophobicContact CG-CG 4.49Å; F27-L312 HydrophobicContact CD1-CD2 4.15Å; F27-L312 HydrophobicContact CD2-CD2 4.02Å; F27-L312 HydrophobicContact CD2-CG 4.48Å; F27-L312 HydrophobicContact CE1-CD2 3.8Å; F27-L312 HydrophobicContact CE1-CG 4.32Å; F27-L312 HydrophobicContact CE2-CB 3.91Å; F27-L312 HydrophobicContact CE2-CD2 3.66Å; F27-L312 HydrophobicContact CE2-CG 3.7Å; F27-L312 HydrophobicContact CG-CD2 4.25Å; F27-L312 HydrophobicContact CZ-CB 4.33Å; F27-L312 HydrophobicContact CZ-CD2 3.54Å; F27-L312 HydrophobicContact CZ-CG 3.61Å; F27-L313 HydrophobicContact CE2-CB 4.18Å; F27-I316 HydrophobicContact CE1-CD1 4.29Å; F27-I316 HydrophobicContact CZ-CD1 3.59Å |
| 28 | A | 97.3 | Very high | 96.6 | Very high | 6 Ų | 6 | 62.7 Ų | 62.7 | 5% | 0.05 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -57.8 | -40 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112 | F24 Q25 C31 R32 V38 | F24-A28 PolarHBondContact O-N 2.89Å; Q25-A28 PolarHBondContact O-N 3.41Å; A28-C31 PolarHBondContact O-N 3.44Å; A28-R32 PolarHBondContact O-N 3.05Å; A28-V38 HydrophobicContact CB-CB 4.08Å; A28-V38 HydrophobicContact CB-CG1 3.98Å |
| 29 | E | 97.3 | Very high | 96.6 | Very high | 73 Ų | 73 | 63.8 Ų | 63.8 | 34% | 0.341 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -67.1 | -39.7 | 174.1 | -179.1 | 54.8 | -148.8 | 0 | 0 | 112.7 | Q25 A26 F27 C31 R32 K33 | Q25-E29 PolarHBondContact O-N 2.77Å; Q25-E29 VanDerWaalsContact O-N 3.08Å; A26-E29 PolarHBondContact O-N 2.98Å; F27-E29 VanDerWaalsContact C-N 3.26Å; F27-E29 PolarHBondContact O-N 2.83Å; E29-C31 VanDerWaalsContact C-N 3.33Å; E29-C31 PolarHBondContact O-N 3.27Å; E29-R32 PolarHBondContact O-N 3.32Å; E29-R32 IonicContact OE2-CZ 3.71Å; E29-R32 IonicContact OE2-NH1 2.65Å; E29-R32 PolarHBondContact OE2-NH1 3.41Å; E29-K33 WeakPolarHBondContact O-CG 3.24Å; E29-K33 PolarHBondContact O-N 3.37Å; E29-K33 VanDerWaalsContact OE1-CE 3.3Å; E29-K33 WeakPolarHBondContact OE1-CE 3.42Å |
| 30 | L | 96.7 | Very high | 96.6 | Very high | 46 Ų | 46 | 66.8 Ų | 66.8 | 24% | 0.241 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -59.2 | -44.5 | 174.1 | -179.4 | 66.5 | 0 | 0 | 0 | 111.4 | A26 F27 K33 F309 L313 | A26-L30 PolarHBondContact O-N 3.38Å; F27-L30 WeakPolarHBondContact O-CB 3.44Å; F27-L30 PolarHBondContact O-N 3.16Å; F27-L30 VanDerWaalsContact O-N 3.08Å; L30-K33 PolarHBondContact O-N 3.49Å; L30-F309 HydrophobicContact CD2-CB 3.94Å; L30-L313 HydrophobicContact CD2-CB 4.45Å; L30-L313 HydrophobicContact CD2-CD2 4.09Å; L30-L313 HydrophobicContact CG-CD2 4.03Å |
| 31 | C | 96.8 | Very high | 96.7 | Very high | 0 Ų | 0 | 58.3 Ų | 58.3 | 0% | 0 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -61.6 | -44.6 | 174.8 | -74.7 | 0 | 0 | 0 | 0 | 112.1 | F27 A28 E29 K33 R34 G35 I36 V38 | F27-C31 WeakPolarHBondContact CZ-SG 3.49Å; F27-C31 PolarHBondContact O-N 3.38Å; A28-C31 PolarHBondContact O-N 3.44Å; E29-C31 VanDerWaalsContact C-N 3.33Å; E29-C31 PolarHBondContact O-N 3.27Å; C31-K33 VanDerWaalsContact C-N 3.3Å; C31-K33 PolarHBondContact O-N 3.03Å; C31-R34 CarbonylContact O-C 3.45Å; C31-R34 WeakPolarHBondContact O-CA 3.4Å; C31-R34 WeakPolarHBondContact O-CB 3.24Å; C31-R34 PolarHBondContact O-N 2.91Å; C31-G35 PolarHBondContact O-N 3.42Å; C31-I36 CarbonylContact C-O 3.45Å; C31-I36 HydrophobicContact CB-CB 3.92Å; C31-I36 HydrophobicContact CB-CD1 4.33Å; C31-I36 HydrophobicContact CB-CG2 4.13Å; C31-I36 WeakPolarHBondContact O-CB 3.43Å; C31-I36 PolarHBondContact O-N 3.25Å; C31-V38 HydrophobicContact CB-CG2 3.32Å |
| 32 | R | 95.2 | Very high | 96.8 | Very high | 155 Ų | 155 | 56.5 Ų | 56.5 | 59% | 0.585 | 28% | 0.279 | S | S | * | . | H | α-helix | trans | -58.9 | -39.7 | 177.7 | -172.3 | -178.6 | -65.5 | 132.7 | -0.5 | 112.6 | A28 E29 R34 G35 I36 | A28-R32 PolarHBondContact O-N 3.05Å; E29-R32 PolarHBondContact O-N 3.32Å; E29-R32 IonicContact OE2-CZ 3.71Å; E29-R32 IonicContact OE2-NH1 2.65Å; E29-R32 PolarHBondContact OE2-NH1 3.41Å; R32-R34 PolarHBondContact O-N 3.26Å; R32-G35 WeakPolarHBondContact O-CA 3.34Å; R32-G35 PolarHBondContact O-N 2.93Å; R32-I36 WeakPolarHBondContact CA-O 3.44Å; R32-I36 PolarHBondContact N-O 2.88Å |
| 33 | K | 94.8 | Very high | 96.9 | Very high | 154 Ų | 154 | 55.7 Ų | 55.7 | 67% | 0.67 | 27% | 0.274 | S | S | * | . | H | α-helix | trans | -62.5 | -20.4 | 173.8 | -70.5 | 173.7 | -178 | 175 | 0 | 113.5 | E29 L30 C31 | E29-K33 WeakPolarHBondContact O-CG 3.24Å; E29-K33 PolarHBondContact O-N 3.37Å; E29-K33 VanDerWaalsContact OE1-CE 3.3Å; E29-K33 WeakPolarHBondContact OE1-CE 3.42Å; L30-K33 PolarHBondContact O-N 3.49Å; C31-K33 VanDerWaalsContact C-N 3.3Å; C31-K33 PolarHBondContact O-N 3.03Å |
| 34 | R | 93.7 | Very high | 96.9 | Very high | 109 Ų | 109 | 54.5 Ų | 54.5 | 41% | 0.411 | 27% | 0.274 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -95.4 | 4.5 | 172.8 | -57 | -60.4 | -174.6 | 171 | 2.9 | 113.3 | Q2 C31 R32 I36 L313 | Q2-R34 VanDerWaalsContact OE1-NH2 3.1Å; C31-R34 CarbonylContact O-C 3.45Å; C31-R34 WeakPolarHBondContact O-CA 3.4Å; C31-R34 WeakPolarHBondContact O-CB 3.24Å; C31-R34 PolarHBondContact O-N 2.91Å; R32-R34 PolarHBondContact O-N 3.26Å; R34-I36 VanDerWaalsContact C-N 3.33Å; R34-I36 HydrophobicContact CB-CD1 4.36Å; R34-I36 HydrophobicContact CB-CG1 4.41Å; R34-L313 HydrophobicContact CG-CD2 3.84Å |
| 35 | G | 94.8 | Very high | 96.9 | Very high | 30 Ų | 30 | 60.8 Ų | 60.8 | 31% | 0.309 | 30% | 0.298 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 75.1 | 20.9 | -177.8 | 0 | 0 | 0 | 0 | 0 | 113.9 | K6 G7 C31 R32 | K6-G35 WeakPolarHBondContact CA-O 3.5Å; G7-G35 PolarHBondContact N-O 3.04Å; C31-G35 PolarHBondContact O-N 3.42Å; R32-G35 WeakPolarHBondContact O-CA 3.34Å; R32-G35 PolarHBondContact O-N 2.93Å |
| 36 | I | 97 | Very high | 96.9 | Very high | 4 Ų | 4 | 59.5 Ų | 59.5 | 2% | 0.021 | 30% | 0.298 | C | S | . | . | trans | -92 | 130.4 | 173 | -58.6 | 168.5 | 0 | 0 | 0 | 108.4 | L5 K8 V10 C31 R32 R34 V38 L313 | L5-I36 HydrophobicContact CB-CD1 3.94Å; L5-I36 HydrophobicContact CB-CG1 3.84Å; L5-I36 HydrophobicContact CD1-CD1 4.16Å; L5-I36 HydrophobicContact CD2-CD1 4.04Å; L5-I36 HydrophobicContact CG-CD1 4.27Å; L5-I36 VanDerWaalsContact O-CG1 3.31Å; L5-I36 WeakPolarHBondContact O-CG1 3.44Å; K8-I36 CarbonylContact O-C 3.51Å; K8-I36 VanDerWaalsContact O-CA 3.31Å; K8-I36 WeakPolarHBondContact O-CA 3.15Å; K8-I36 WeakPolarHBondContact O-CG2 3.3Å; V10-I36 HydrophobicContact CB-CG2 4.35Å; V10-I36 HydrophobicContact CG2-CG2 3.57Å; C31-I36 CarbonylContact C-O 3.45Å; C31-I36 HydrophobicContact CB-CB 3.92Å; C31-I36 HydrophobicContact CB-CD1 4.33Å; C31-I36 HydrophobicContact CB-CG2 4.13Å; C31-I36 WeakPolarHBondContact O-CB 3.43Å; C31-I36 PolarHBondContact O-N 3.25Å; R32-I36 WeakPolarHBondContact CA-O 3.44Å; R32-I36 PolarHBondContact N-O 2.88Å; R34-I36 VanDerWaalsContact C-N 3.33Å; R34-I36 HydrophobicContact CB-CD1 4.36Å; R34-I36 HydrophobicContact CB-CG1 4.41Å; I36-V38 HydrophobicContact CG2-CG2 4.16Å; I36-L313 HydrophobicContact CD1-CD1 3.55Å | ||
| 37 | E | 97.6 | Very high | 97 | Very high | 117 Ų | 117 | 57.8 Ų | 57.8 | 55% | 0.547 | 28% | 0.284 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.6 | 132 | 169.2 | -68.3 | -178.8 | -169.4 | 0 | 0 | 109.6 | K8 R9 V10 | K8-E37 PolarHBondContact O-N 3.33Å; R9-E37 CarbonylContact C-O 3.48Å; R9-E37 WeakPolarHBondContact CA-O 3.26Å; R9-E37 HydrophobicContact CB-CB 4.27Å; R9-E37 WeakPolarHBondContact CD-OE2 3.28Å; R9-E37 HydrophobicContact CG-CB 3.9Å; V10-E37 PolarHBondContact N-O 3.03Å |
| 38 | V | 98.1 | Very high | 96.9 | Very high | 30 Ų | 30 | 62.9 Ų | 62.9 | 18% | 0.182 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.1 | 126.6 | 178.3 | -174.7 | 0 | 0 | 0 | 0 | 108.9 | V10 Y12 A28 C31 I36 | V10-V38 HydrophobicContact CB-CG2 4.41Å; V10-V38 CarbonylContact O-C 3.54Å; V10-V38 VanDerWaalsContact O-CA 3.32Å; V10-V38 WeakPolarHBondContact O-CA 3.44Å; Y12-V38 HydrophobicContact CD1-CG1 3.62Å; Y12-V38 HydrophobicContact CE1-CG1 3.82Å; A28-V38 HydrophobicContact CB-CB 4.08Å; A28-V38 HydrophobicContact CB-CG1 3.98Å; C31-V38 HydrophobicContact CB-CG2 3.32Å; I36-V38 HydrophobicContact CG2-CG2 4.16Å |
| 39 | V | 97.9 | Very high | 96.9 | Very high | 45 Ų | 45 | 67.3 Ų | 67.3 | 27% | 0.273 | 33% | 0.327 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130 | 132.3 | -176.2 | 62 | 0 | 0 | 0 | 0 | 111 | V10 G11 Y12 L41 L53 | V10-V39 PolarHBondContact O-N 3.33Å; G11-V39 CarbonylContact C-O 3.53Å; G11-V39 WeakPolarHBondContact CA-O 3.32Å; Y12-V39 VanDerWaalsContact CD1-O 3.32Å; Y12-V39 WeakPolarHBondContact CD1-O 3.44Å; Y12-V39 PolarHBondContact N-O 3.48Å; V39-L41 HydrophobicContact CG1-CD2 4.41Å; V39-L41 PolarHBondContact O-N 2.77Å; V39-L53 HydrophobicContact CG1-CD2 3.95Å |
| 40 | Q | 98.4 | Very high | 97 | Very high | 74 Ų | 74 | 64.9 Ų | 64.9 | 35% | 0.346 | 32% | 0.316 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.3 | 123.8 | 170.6 | -169.8 | 165.6 | -20.4 | 0 | 0 | 109.1 | Y12 E16 | Y12-Q40 HydrophobicContact CD2-CG 4.3Å; Y12-Q40 HydrophobicContact CE1-CB 3.87Å; Y12-Q40 HydrophobicContact CE2-CB 3.87Å; Y12-Q40 HydrophobicContact CE2-CG 3.62Å; Y12-Q40 VanDerWaalsContact CZ-CB 3.47Å; Y12-Q40 WeakPolarHBondContact OH-CB 3.32Å; Y12-Q40 PolarHBondContact OH-OE1 2.65Å; Y12-Q40 VanDerWaalsContact OH-OE1 3.05Å; E16-Q40 PolarHBondContact OE1-NE2 3.48Å |
| 41 | L | 98.6 | Very high | 96.8 | Very high | 5 Ų | 5 | 63.3 Ų | 63.3 | 3% | 0.026 | 31% | 0.31 | C | S | . | . | trans | -78.4 | 133.6 | 177.6 | -60.5 | 178.7 | 0 | 0 | 0 | 110.5 | Y12 V39 L43 Q50 L53 I56 | Y12-L41 PolarHBondContact O-N 3.08Å; V39-L41 HydrophobicContact CG1-CD2 4.41Å; V39-L41 PolarHBondContact O-N 2.77Å; L41-L43 HydrophobicContact CB-CD2 4.36Å; L41-Q50 HydrophobicContact CD2-CB 4.17Å; L41-L53 HydrophobicContact CD1-CD1 4.3Å; L41-L53 HydrophobicContact CD2-CD1 3.8Å; L41-I56 HydrophobicContact CD1-CD1 4.17Å; L41-I56 HydrophobicContact CD1-CG1 4.14Å; L41-I56 HydrophobicContact CD1-CG2 4Å | ||
| 42 | N | 98.1 | Very high | 96.8 | Very high | 76 Ų | 76 | 68.3 Ų | 68.3 | 41% | 0.406 | 34% | 0.343 | S | S | . | . | trans | -103.1 | 99.1 | 166.3 | -177.1 | -11.8 | 0 | 0 | 0 | 108.8 | S44 R45 Q50 | N42-S44 PolarHBondContact O-N 2.84Å; N42-S44 WeakPolarHBondContact OD1-CB 3.45Å; N42-S44 PolarHBondContact OD1-N 2.83Å; N42-R45 PolarHBondContact O-N 3.33Å; N42-R45 VanDerWaalsContact O-N 3.09Å; N42-Q50 PolarHBondContact O-NE2 3.37Å | ||
| 43 | L | 97.6 | Very high | 96.9 | Very high | 2 Ų | 2 | 61.3 Ų | 61.3 | 1% | 0.01 | 32% | 0.317 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -72.2 | -2.6 | -179.6 | -60.6 | -177.7 | 0 | 0 | 0 | 113.7 | W13 L41 R45 I47 L60 L77 R80 F81 | W13-L43 HydrophobicContact CB-CD1 4.49Å; W13-L43 VanDerWaalsContact CD1-CD1 3.49Å; W13-L43 VanDerWaalsContact CD1-CG 3.42Å; W13-L43 HydrophobicContact CD2-CD1 4.11Å; W13-L43 HydrophobicContact CG-CD1 3.76Å; W13-L43 HydrophobicContact CG-CG 4.11Å; L41-L43 HydrophobicContact CB-CD2 4.36Å; L43-R45 VanDerWaalsContact C-N 3.28Å; L43-I47 HydrophobicContact CD2-CD1 3.59Å; L43-I47 HydrophobicContact CD2-CG1 4.14Å; L43-L60 HydrophobicContact CD1-CD1 4.32Å; L43-L60 HydrophobicContact CD1-CD2 3.72Å; L43-L77 HydrophobicContact CB-CB 4.44Å; L43-L77 HydrophobicContact CB-CD2 3.82Å; L43-L77 VanDerWaalsContact O-CD2 3.26Å; L43-L77 WeakPolarHBondContact O-CD2 3.28Å; L43-R80 VanDerWaalsContact O-CD 3.31Å; L43-R80 WeakPolarHBondContact O-CD 3.1Å; L43-R80 PolarHBondContact O-NH1 2.92Å; L43-F81 HydrophobicContact CD1-CD2 4.11Å; L43-F81 HydrophobicContact CD2-CD2 3.82Å |
| 44 | S | 96.4 | Very high | 97.1 | Very high | 74 Ų | 74 | 55.6 Ų | 55.6 | 52% | 0.517 | 29% | 0.294 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -85 | -3.5 | 169.1 | -55.7 | 0 | 0 | 0 | 0 | 112.8 | N42 | N42-S44 PolarHBondContact O-N 2.84Å; N42-S44 WeakPolarHBondContact OD1-CB 3.45Å; N42-S44 PolarHBondContact OD1-N 2.83Å |
| 45 | R | 96.8 | Very high | 97.3 | Very high | 131 Ų | 131 | 50.4 Ų | 50.4 | 49% | 0.494 | 28% | 0.275 | S | S | . | . | S | Bend | trans | -116.4 | 156.7 | 175.7 | -69.8 | -175.2 | 65 | 170.5 | 0.1 | 110.3 | N42 L43 I47 E49 Q50 R80 | N42-R45 PolarHBondContact O-N 3.33Å; N42-R45 VanDerWaalsContact O-N 3.09Å; L43-R45 VanDerWaalsContact C-N 3.28Å; R45-I47 PolarHBondContact O-N 2.92Å; R45-E49 WeakPolarHBondContact CB-OE1 3.48Å; R45-E49 IonicContact CZ-OE1 3.1Å; R45-E49 IonicContact CZ-OE2 3.9Å; R45-E49 IonicContact NE-OE1 3.99Å; R45-E49 PolarHBondContact NE-OE1 2.91Å; R45-E49 IonicContact NH2-OE1 2.83Å; R45-E49 PolarHBondContact NH2-OE1 3.02Å; R45-E49 IonicContact NH2-OE2 2.89Å; R45-E49 PolarHBondContact NH2-OE2 3.32Å; R45-Q50 PolarHBondContact O-NE2 3.19Å; R45-R80 VanDerWaalsContact O-CD 3.27Å; R45-R80 WeakPolarHBondContact O-CD 3.48Å |
| 46 | P | 97.4 | Very high | 97.5 | Very high | 78 Ų | 78 | 49 Ų | 49 | 51% | 0.506 | 26% | 0.26 | S | S | . | . | trans | -51.1 | 135.9 | 171.8 | -24.4 | 34.1 | 0 | 0 | 0 | 111 | E49 Q50 | P46-E49 HydrophobicContact CB-CG 4.26Å; P46-E49 WeakPolarHBondContact O-CG 3.49Å; P46-Q50 PolarHBondContact O-NE2 3.19Å | ||
| 47 | I | 98.2 | Very high | 97.6 | Very high | 5 Ų | 5 | 48.8 Ų | 48.8 | 3% | 0.026 | 26% | 0.259 | C | S | . | . | S | Bend | trans | -81.1 | -26 | -176.8 | -54.2 | 175.4 | 0 | 0 | 0 | 110.6 | L43 R45 E49 Q50 G51 L53 R80 F81 Y84 | L43-I47 HydrophobicContact CD2-CD1 3.59Å; L43-I47 HydrophobicContact CD2-CG1 4.14Å; R45-I47 PolarHBondContact O-N 2.92Å; I47-E49 VanDerWaalsContact C-N 3.33Å; I47-E49 PolarHBondContact O-N 3.41Å; I47-Q50 CarbonylContact O-C 3.55Å; I47-Q50 WeakPolarHBondContact O-CA 3.37Å; I47-Q50 WeakPolarHBondContact O-CB 3.37Å; I47-Q50 PolarHBondContact O-N 2.81Å; I47-G51 PolarHBondContact O-N 2.64Å; I47-L53 HydrophobicContact CG2-CD1 4.4Å; I47-R80 HydrophobicContact CD1-CG 4.24Å; I47-R80 WeakPolarHBondContact CD1-O 3.34Å; I47-R80 HydrophobicContact CG1-CG 4.27Å; I47-F81 HydrophobicContact CD1-CD2 4.46Å; I47-Y84 HydrophobicContact CB-CD1 4.29Å; I47-Y84 HydrophobicContact CB-CD2 3.56Å; I47-Y84 HydrophobicContact CB-CE2 4.11Å; I47-Y84 HydrophobicContact CB-CG 3.66Å; I47-Y84 HydrophobicContact CD1-CG 4.2Å; I47-Y84 HydrophobicContact CG2-CD1 3.57Å; I47-Y84 HydrophobicContact CG2-CD2 3.54Å; I47-Y84 HydrophobicContact CG2-CE1 3.76Å; I47-Y84 HydrophobicContact CG2-CE2 3.72Å; I47-Y84 HydrophobicContact CG2-CG 3.46Å; I47-Y84 VanDerWaalsContact CG2-CG 3.46Å |
| 48 | E | 97.5 | Very high | 97.7 | Very high | 106 Ų | 106 | 43.3 Ų | 43.3 | 50% | 0.495 | 23% | 0.233 | S | C | . | . | G | 310 helix | trans | -49.1 | -48.1 | 173.2 | -64.9 | -53.4 | 137.9 | 0 | 0 | 113.6 | Q50 G51 Y84 H88 | E48-Q50 PolarHBondContact O-N 2.86Å; E48-G51 PolarHBondContact O-N 2.77Å; E48-Y84 VanDerWaalsContact OE1-CD2 3.3Å; E48-Y84 WeakPolarHBondContact OE1-CD2 3.41Å; E48-H88 IonicContact OE1-CD2 3.97Å; E48-H88 IonicContact OE1-NE2 3.85Å; E48-H88 PolarHBondContact OE1-NE2 2.76Å; E48-H88 IonicContact OE2-CE1 3.53Å; E48-H88 IonicContact OE2-NE2 2.75Å; E48-H88 PolarHBondContact OE2-NE2 2.95Å |
| 49 | E | 96.9 | Very high | 97.7 | Very high | 100 Ų | 100 | 43.2 Ų | 43.2 | 47% | 0.467 | 23% | 0.23 | S | C | . | . | G | 310 helix | trans | -70.8 | -12.3 | 179.5 | 58.2 | 169.7 | -168.3 | 0 | 0 | 113.3 | R45 P46 I47 | R45-E49 WeakPolarHBondContact CB-OE1 3.48Å; R45-E49 IonicContact CZ-OE1 3.1Å; R45-E49 IonicContact CZ-OE2 3.9Å; R45-E49 IonicContact NE-OE1 3.99Å; R45-E49 PolarHBondContact NE-OE1 2.91Å; R45-E49 IonicContact NH2-OE1 2.83Å; R45-E49 PolarHBondContact NH2-OE1 3.02Å; R45-E49 IonicContact NH2-OE2 2.89Å; R45-E49 PolarHBondContact NH2-OE2 3.32Å; P46-E49 HydrophobicContact CB-CG 4.26Å; P46-E49 WeakPolarHBondContact O-CG 3.49Å; I47-E49 VanDerWaalsContact C-N 3.33Å; I47-E49 PolarHBondContact O-N 3.41Å |
| 50 | Q | 97.9 | Very high | 97.7 | Very high | 22 Ų | 22 | 41.1 Ų | 41.1 | 10% | 0.103 | 22% | 0.217 | C | C | . | . | G | 310 helix | trans | -100.3 | -2.5 | 178.6 | -57.6 | 175.7 | 71.2 | 0 | 0 | 112.3 | R9 L41 N42 R45 P46 I47 E48 | R9-Q50 PolarHBondContact NH2-O 3.48Å; L41-Q50 HydrophobicContact CD2-CB 4.17Å; N42-Q50 PolarHBondContact O-NE2 3.37Å; R45-Q50 PolarHBondContact O-NE2 3.19Å; P46-Q50 PolarHBondContact O-NE2 3.19Å; I47-Q50 CarbonylContact O-C 3.55Å; I47-Q50 WeakPolarHBondContact O-CA 3.37Å; I47-Q50 WeakPolarHBondContact O-CB 3.37Å; I47-Q50 PolarHBondContact O-N 2.81Å; E48-Q50 PolarHBondContact O-N 2.86Å |
| 51 | G | 93.1 | Very high | 97.5 | Very high | 12 Ų | 12 | 37.8 Ų | 37.8 | 12% | 0.124 | 20% | 0.202 | C | C | . | . | trans | -105.9 | -167.5 | 175.4 | 0 | 0 | 0 | 0 | 0 | 113.9 | R9 I47 E48 | R9-G51 PolarHBondContact NH1-O 2.83Å; R9-G51 PolarHBondContact NH2-O 2.9Å; I47-G51 PolarHBondContact O-N 2.64Å; E48-G51 PolarHBondContact O-N 2.77Å | ||
| 52 | P | 96.4 | Very high | 97.3 | Very high | 106 Ų | 106 | 40.3 Ų | 40.3 | 69% | 0.688 | 22% | 0.216 | S | C | * | . | cis | -65.6 | 151.2 | -1.8 | 27.9 | -35.6 | 0 | 0 | 0 | 112.5 | R9 | R9-P52 VanDerWaalsContact CD-O 3.26Å; R9-P52 WeakPolarHBondContact CD-O 3.38Å; R9-P52 PolarHBondContact NE-O 3.44Å | ||
| 53 | L | 98.3 | Very high | 97.3 | Very high | 7 Ų | 7 | 37.1 Ų | 37.1 | 4% | 0.037 | 20% | 0.199 | C | C | . | . | trans | -121.5 | 134.9 | -179.9 | -59.1 | 174.3 | 0 | 0 | 0 | 109.2 | R9 V39 L41 I47 I56 Y84 T91 | R9-L53 HydrophobicContact CG-CD2 4.12Å; V39-L53 HydrophobicContact CG1-CD2 3.95Å; L41-L53 HydrophobicContact CD1-CD1 4.3Å; L41-L53 HydrophobicContact CD2-CD1 3.8Å; I47-L53 HydrophobicContact CG2-CD1 4.4Å; L53-I56 HydrophobicContact CB-CG1 4.46Å; L53-I56 HydrophobicContact CD1-CD1 3.82Å; L53-I56 HydrophobicContact CD1-CG1 3.76Å; L53-Y84 HydrophobicContact CD1-CE1 4Å; L53-T91 HydrophobicContact CB-CG2 4.15Å; L53-T91 PolarHBondContact O-OG1 2.84Å; L53-T91 VanDerWaalsContact O-OG1 3.09Å | ||
| 54 | D | 98.3 | Very high | 97.3 | Very high | 35 Ų | 35 | 37 Ų | 37 | 19% | 0.187 | 20% | 0.199 | C | C | . | . | S | Bend | trans | -86.8 | -34.8 | 170.5 | -61.8 | -94.5 | 0 | 0 | 0 | 111.1 | K8 R9 I92 L320 | K8-D54 VanDerWaalsContact CA-OD2 3.24Å; K8-D54 WeakPolarHBondContact CA-OD2 3.33Å; K8-D54 HydrophobicContact CD-CB 4.05Å; K8-D54 WeakPolarHBondContact CD-OD1 3.38Å; K8-D54 WeakPolarHBondContact CD-OD2 3.43Å; K8-D54 IonicContact NZ-OD1 3.24Å; K8-D54 PolarHBondContact NZ-OD1 3.12Å; R9-D54 PolarHBondContact N-OD2 3.01Å; R9-D54 PolarHBondContact O-N 3.26Å; D54-I92 PolarHBondContact O-N 3.39Å; D54-L320 HydrophobicContact CB-CD2 3.91Å |
| 55 | V | 98.8 | Very high | 97.2 | Very high | 0 Ų | 0 | 34.6 Ų | 34.6 | 0% | 0 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.1 | 143.1 | -178.1 | -172.7 | 0 | 0 | 0 | 0 | 110.4 | R9 V10 G11 I57 I92 L94 I316 L320 | R9-V55 PolarHBondContact O-N 3.46Å; V10-V55 CarbonylContact C-O 3.54Å; V10-V55 VanDerWaalsContact CA-O 3.3Å; V10-V55 WeakPolarHBondContact CA-O 3.31Å; V10-V55 HydrophobicContact CG1-CB 4.4Å; V10-V55 HydrophobicContact CG2-CB 4.21Å; G11-V55 PolarHBondContact N-O 2.88Å; V55-I57 HydrophobicContact CG1-CG1 4.4Å; V55-I92 CarbonylContact C-O 3.48Å; V55-I92 VanDerWaalsContact CA-O 3.25Å; V55-I92 WeakPolarHBondContact CA-O 3.14Å; V55-I92 HydrophobicContact CG1-CB 4.48Å; V55-I92 HydrophobicContact CG2-CB 4.28Å; V55-L94 HydrophobicContact CG1-CD1 3.84Å; V55-L94 HydrophobicContact CG1-CG 3.97Å; V55-I316 HydrophobicContact CG2-CG2 4.3Å; V55-L320 HydrophobicContact CG2-CD1 4.33Å; V55-L320 HydrophobicContact CG2-CD2 3.85Å; V55-L320 HydrophobicContact CG2-CG 4.05Å |
| 56 | I | 98.9 | Very high | 97.2 | Very high | 0 Ų | 0 | 32.7 Ų | 32.7 | 0% | 0 | 18% | 0.176 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.5 | 123.6 | 166.9 | -67.4 | 174.3 | 0 | 0 | 0 | 109.5 | G11 L41 L53 H58 F81 Y84 I85 T91 I92 L94 | G11-I56 CarbonylContact O-C 3.59Å; G11-I56 VanDerWaalsContact O-CA 3.29Å; G11-I56 WeakPolarHBondContact O-CA 3.37Å; L41-I56 HydrophobicContact CD1-CD1 4.17Å; L41-I56 HydrophobicContact CD1-CG1 4.14Å; L41-I56 HydrophobicContact CD1-CG2 4Å; L53-I56 HydrophobicContact CB-CG1 4.46Å; L53-I56 HydrophobicContact CD1-CD1 3.82Å; L53-I56 HydrophobicContact CD1-CG1 3.76Å; I56-H58 HydrophobicContact CG2-CB 4.44Å; I56-F81 HydrophobicContact CD1-CE2 4.33Å; I56-F81 HydrophobicContact CG2-CE2 3.78Å; I56-F81 HydrophobicContact CG2-CZ 3.8Å; I56-Y84 HydrophobicContact CD1-CD1 4.03Å; I56-Y84 HydrophobicContact CD1-CE1 3.9Å; I56-I85 HydrophobicContact CD1-CD1 3.85Å; I56-T91 HydrophobicContact CB-CG2 4.45Å; I56-T91 HydrophobicContact CD1-CG2 3.71Å; I56-T91 HydrophobicContact CG1-CG2 3.7Å; I56-I92 PolarHBondContact N-O 3.21Å; I56-L94 PolarHBondContact O-N 3.47Å |
| 57 | I | 98.9 | Very high | 97.1 | Very high | 0 Ų | 0 | 29.1 Ų | 29.1 | 0% | 0 | 15% | 0.154 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.2 | 124.7 | 171.2 | -62.3 | 168.7 | 0 | 0 | 0 | 108.5 | V10 G11 Y12 W13 F24 F27 V55 L94 L277 F299 L312 I316 | V10-I57 HydrophobicContact CG1-CD1 3.68Å; V10-I57 HydrophobicContact CG1-CG1 4.02Å; G11-I57 PolarHBondContact O-N 3.29Å; Y12-I57 CarbonylContact C-O 3.6Å; Y12-I57 WeakPolarHBondContact CA-O 3.45Å; Y12-I57 WeakPolarHBondContact CB-O 3.31Å; W13-I57 PolarHBondContact N-O 2.96Å; F24-I57 HydrophobicContact CZ-CD1 4.33Å; F24-I57 HydrophobicContact CZ-CG2 4.31Å; F27-I57 HydrophobicContact CE1-CD1 3.94Å; F27-I57 HydrophobicContact CZ-CD1 4.35Å; V55-I57 HydrophobicContact CG1-CG1 4.4Å; I57-L94 HydrophobicContact CG1-CB 4.46Å; I57-L94 HydrophobicContact CG1-CD1 4.25Å; I57-L277 HydrophobicContact CG2-CD1 4.19Å; I57-F299 HydrophobicContact CG2-CE2 3.63Å; I57-F299 HydrophobicContact CG2-CZ 4.29Å; I57-L312 HydrophobicContact CD1-CD1 4.41Å; I57-L312 HydrophobicContact CD1-CD2 4.38Å; I57-I316 HydrophobicContact CD1-CD1 3.69Å; I57-I316 HydrophobicContact CD1-CG1 4.45Å |
| 58 | H | 98.8 | Very high | 96.9 | Very high | 2 Ų | 2 | 33.1 Ų | 33.1 | 1% | 0.009 | 18% | 0.175 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -145.7 | 159.1 | 178.9 | 75.5 | 99 | 0 | 0 | 0 | 115.1 | W13 I56 L60 F81 V93 L94 D95 L97 F299 | W13-H58 HydrophobicContact CB-CB 4.06Å; W13-H58 CarbonylContact O-C 3.54Å; W13-H58 WeakPolarHBondContact O-CA 3.37Å; W13-H58 WeakPolarHBondContact O-CB 3.1Å; I56-H58 HydrophobicContact CG2-CB 4.44Å; H58-L60 HydrophobicContact CB-CG 4.37Å; H58-L60 WeakPolarHBondContact ND1-CB 3.29Å; H58-L60 WeakPolarHBondContact ND1-CD1 3.41Å; H58-L60 WeakPolarHBondContact ND1-CG 3.43Å; H58-L60 PolarHBondContact ND1-N 2.97Å; H58-F81 AromaticContact CD2-CZ 3.9Å; H58-V93 WeakPolarHBondContact NE2-CG1 3.38Å; H58-L94 PolarHBondContact CD2-O 2.86Å; H58-L94 PolarHBondContact N-O 2.94Å; H58-D95 PolarHBondContact CE1-O 3.48Å; H58-D95 PolarHBondContact NE2-O 2.87Å; H58-L97 VanDerWaalsContact CE1-CD2 3.46Å; H58-L97 WeakPolarHBondContact CE1-CD2 3.35Å; H58-F299 WeakPolarHBondContact O-CD2 3.1Å |
| 59 | K | 98.2 | Very high | 96.7 | Very high | 28 Ų | 28 | 34.2 Ų | 34.2 | 12% | 0.122 | 18% | 0.18 | C | C | . | . | trans | -130.2 | 79.2 | 161.4 | -170 | -178.3 | -177.7 | 159.4 | 0 | 109.3 | W13 L14 K18 T61 H162 A298 F299 | W13-K59 VanDerWaalsContact CZ3-O 3.28Å; W13-K59 WeakPolarHBondContact CZ3-O 3.43Å; W13-K59 PolarHBondContact O-N 3.48Å; L14-K59 HydrophobicContact CD2-CB 3.82Å; K18-K59 HydrophobicContact CD-CB 3.95Å; K18-K59 HydrophobicContact CD-CD 3.56Å; K18-K59 HydrophobicContact CD-CG 4.34Å; K59-T61 WeakPolarHBondContact CG-OG1 3.43Å; K59-T61 PolarHBondContact O-N 2.83Å; K59-H162 PolarHBondContact NZ-NE2 2.69Å; K59-A298 VanDerWaalsContact CE-O 3.3Å; K59-A298 WeakPolarHBondContact CE-O 3.22Å; K59-A298 PolarHBondContact NZ-O 2.78Å; K59-F299 HydrophobicContact CB-CB 4.22Å; K59-F299 HydrophobicContact CB-CD2 4.08Å; K59-F299 HydrophobicContact CB-CG 4.34Å; K59-F299 HydrophobicContact CD-CB 4.07Å; K59-F299 WeakPolarHBondContact CD-O 3.29Å; K59-F299 HydrophobicContact CG-CB 4.12Å; K59-F299 PolarHBondContact NZ-O 3.06Å | ||
| 60 | L | 97.8 | Very high | 96.6 | Very high | 0 Ų | 0 | 35.8 Ų | 35.8 | 0% | 0 | 19% | 0.191 | C | C | . | . | trans | -82.6 | 6.3 | 178.4 | -78.7 | 165.7 | 0 | 0 | 0 | 113.2 | W13 L43 H58 D62 V63 I64 F81 L97 | W13-L60 HydrophobicContact CD2-CD2 3.53Å; W13-L60 HydrophobicContact CD2-CG 4.18Å; W13-L60 HydrophobicContact CE3-CB 4.49Å; W13-L60 HydrophobicContact CE3-CD2 3.29Å; W13-L60 HydrophobicContact CE3-CG 3.68Å; W13-L60 HydrophobicContact CG-CD2 4.27Å; W13-L60 HydrophobicContact CH2-CD2 3.98Å; W13-L60 HydrophobicContact CZ2-CD2 4.13Å; W13-L60 HydrophobicContact CZ3-CD2 3.56Å; W13-L60 HydrophobicContact CZ3-CG 4.17Å; L43-L60 HydrophobicContact CD1-CD1 4.32Å; L43-L60 HydrophobicContact CD1-CD2 3.72Å; H58-L60 HydrophobicContact CB-CG 4.37Å; H58-L60 WeakPolarHBondContact ND1-CB 3.29Å; H58-L60 WeakPolarHBondContact ND1-CD1 3.41Å; H58-L60 WeakPolarHBondContact ND1-CG 3.43Å; H58-L60 PolarHBondContact ND1-N 2.97Å; L60-D62 VanDerWaalsContact C-N 3.32Å; L60-D62 PolarHBondContact O-N 2.95Å; L60-V63 HydrophobicContact CD2-CB 4.08Å; L60-V63 HydrophobicContact CD2-CG1 4.43Å; L60-V63 HydrophobicContact CD2-CG2 4.13Å; L60-V63 PolarHBondContact O-N 3.1Å; L60-I64 HydrophobicContact CB-CD1 3.89Å; L60-I64 HydrophobicContact CB-CG1 4.12Å; L60-I64 WeakPolarHBondContact O-CG1 3.27Å; L60-I64 PolarHBondContact O-N 2.89Å; L60-F81 HydrophobicContact CD1-CB 4.49Å; L60-F81 HydrophobicContact CD1-CD1 3.98Å; L60-F81 HydrophobicContact CD1-CD2 3.85Å; L60-F81 HydrophobicContact CD1-CE1 4.08Å; L60-F81 HydrophobicContact CD1-CE2 3.95Å; L60-F81 HydrophobicContact CD1-CG 3.84Å; L60-F81 HydrophobicContact CD1-CZ 4.06Å; L60-L97 HydrophobicContact CD1-CD2 4.32Å | ||
| 61 | T | 95.4 | Very high | 96.6 | Very high | 4 Ų | 4 | 37.8 Ų | 37.8 | 3% | 0.025 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -46.4 | -49.2 | -173.9 | -50.3 | 0 | 0 | 0 | 0 | 113.6 | K59 L65 L104 H162 | K59-T61 WeakPolarHBondContact CG-OG1 3.43Å; K59-T61 PolarHBondContact O-N 2.83Å; T61-L65 WeakPolarHBondContact O-CB 3.29Å; T61-L65 PolarHBondContact O-N 2.99Å; T61-L65 VanDerWaalsContact O-N 3.09Å; T61-L104 HydrophobicContact CG2-CD2 3.28Å; T61-L104 HydrophobicContact CG2-CG 3.97Å; T61-H162 HydrophobicContact CG2-CB 3.82Å |
| 62 | D | 94.6 | Very high | 96.8 | Very high | 58 Ų | 58 | 41.6 Ų | 41.6 | 31% | 0.31 | 23% | 0.227 | S | C | . | . | H | α-helix | trans | -70.2 | -41 | -179.7 | -66.3 | -40.5 | 0 | 0 | 0 | 112.2 | L60 I64 L65 E66 H162 | L60-D62 VanDerWaalsContact C-N 3.32Å; L60-D62 PolarHBondContact O-N 2.95Å; D62-I64 PolarHBondContact O-N 3.03Å; D62-L65 WeakPolarHBondContact O-CB 3.45Å; D62-L65 PolarHBondContact O-N 3.35Å; D62-E66 WeakPolarHBondContact O-CG 3.24Å; D62-E66 PolarHBondContact O-N 3.11Å; D62-H162 IonicContact OD1-CE1 3.73Å; D62-H162 PolarHBondContact OD1-CE1 3.27Å; D62-H162 IonicContact OD1-CG 3.71Å; D62-H162 IonicContact OD1-ND1 3.2Å; D62-H162 PolarHBondContact OD1-ND1 3.22Å; D62-H162 IonicContact OD2-CE1 2.9Å; D62-H162 PolarHBondContact OD2-CE1 3.05Å; D62-H162 IonicContact OD2-ND1 2.96Å |
| 63 | V | 97.1 | Very high | 96.8 | Very high | 10 Ų | 10 | 42.5 Ų | 42.5 | 6% | 0.061 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -65.7 | -39.5 | 178.1 | -175.3 | 0 | 0 | 0 | 0 | 111.2 | W13 L60 L65 E66 A67 S74 L77 V78 | W13-V63 HydrophobicContact CH2-CB 4.48Å; W13-V63 HydrophobicContact CH2-CG2 3.18Å; W13-V63 HydrophobicContact CZ2-CG2 3.76Å; W13-V63 HydrophobicContact CZ3-CG2 3.89Å; L60-V63 HydrophobicContact CD2-CB 4.08Å; L60-V63 HydrophobicContact CD2-CG1 4.43Å; L60-V63 HydrophobicContact CD2-CG2 4.13Å; L60-V63 PolarHBondContact O-N 3.1Å; V63-L65 VanDerWaalsContact C-N 3.31Å; V63-E66 PolarHBondContact O-N 3.49Å; V63-A67 VanDerWaalsContact O-CB 3.29Å; V63-A67 WeakPolarHBondContact O-CB 3.44Å; V63-A67 PolarHBondContact O-N 3.29Å; V63-S74 WeakPolarHBondContact O-CB 3.43Å; V63-L77 HydrophobicContact CG1-CB 4.07Å; V63-L77 HydrophobicContact CG1-CD1 4.08Å; V63-V78 HydrophobicContact CG1-CG2 4.04Å |
| 64 | I | 97.3 | Very high | 96.8 | Very high | 0 Ų | 0 | 42.4 Ų | 42.4 | 0% | 0 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -63.8 | -42.1 | 175.1 | -66.5 | 164.4 | 0 | 0 | 0 | 110 | L60 D62 A67 D68 V78 L97 I100 R101 L104 | L60-I64 HydrophobicContact CB-CD1 3.89Å; L60-I64 HydrophobicContact CB-CG1 4.12Å; L60-I64 WeakPolarHBondContact O-CG1 3.27Å; L60-I64 PolarHBondContact O-N 2.89Å; D62-I64 PolarHBondContact O-N 3.03Å; I64-A67 WeakPolarHBondContact O-CB 3.3Å; I64-A67 PolarHBondContact O-N 3.01Å; I64-D68 WeakPolarHBondContact O-CB 3.25Å; I64-D68 VanDerWaalsContact O-CG 3.22Å; I64-D68 PolarHBondContact O-N 3.32Å; I64-V78 HydrophobicContact CG1-CG2 4.01Å; I64-L97 HydrophobicContact CD1-CD2 4.05Å; I64-I100 HydrophobicContact CD1-CB 4.28Å; I64-I100 HydrophobicContact CD1-CG2 3.75Å; I64-R101 HydrophobicContact CG2-CG 4.06Å; I64-R101 VanDerWaalsContact CG2-NH1 3.34Å; I64-L104 HydrophobicContact CB-CD1 3.99Å; I64-L104 HydrophobicContact CG2-CD1 3.6Å |
| 65 | L | 95 | Very high | 96.7 | Very high | 23 Ų | 23 | 44.5 Ų | 44.5 | 12% | 0.12 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -65.3 | -41.2 | 177.7 | -179.1 | 63.5 | 0 | 0 | 0 | 112.2 | T61 D62 V63 D68 Q69 L104 V160 H162 | T61-L65 WeakPolarHBondContact O-CB 3.29Å; T61-L65 PolarHBondContact O-N 2.99Å; T61-L65 VanDerWaalsContact O-N 3.09Å; D62-L65 WeakPolarHBondContact O-CB 3.45Å; D62-L65 PolarHBondContact O-N 3.35Å; V63-L65 VanDerWaalsContact C-N 3.31Å; L65-D68 PolarHBondContact O-N 2.91Å; L65-Q69 WeakPolarHBondContact O-CG 3.31Å; L65-Q69 PolarHBondContact O-N 3.16Å; L65-L104 HydrophobicContact CB-CD2 4.35Å; L65-V160 HydrophobicContact CD1-CG1 3.59Å; L65-V160 HydrophobicContact CD1-CG2 4.47Å; L65-V160 HydrophobicContact CD2-CG1 3.69Å; L65-V160 HydrophobicContact CG-CG1 4.31Å; L65-H162 VanDerWaalsContact CD2-O 3.28Å; L65-H162 WeakPolarHBondContact CD2-O 3.39Å |
| 66 | E | 95.8 | Very high | 96.7 | Very high | 91 Ų | 91 | 49.8 Ų | 49.8 | 43% | 0.425 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -64.5 | -40.9 | 174 | -72.6 | 170.8 | 179.4 | 0 | 0 | 111.1 | D62 V63 D68 Q69 N70 D71 S74 | D62-E66 WeakPolarHBondContact O-CG 3.24Å; D62-E66 PolarHBondContact O-N 3.11Å; V63-E66 PolarHBondContact O-N 3.49Å; E66-D68 PolarHBondContact O-N 2.8Å; E66-Q69 CarbonylContact O-C 3.58Å; E66-Q69 WeakPolarHBondContact O-CA 2.96Å; E66-Q69 WeakPolarHBondContact O-CB 3.36Å; E66-Q69 PolarHBondContact O-N 3.49Å; E66-N70 PolarHBondContact O-N 2.97Å; E66-D71 HydrophobicContact CB-CB 4.12Å; E66-D71 VanDerWaalsContact O-CB 3.3Å; E66-D71 WeakPolarHBondContact O-CB 3.29Å; E66-D71 PolarHBondContact O-N 3.26Å; E66-S74 WeakPolarHBondContact CB-OG 3.15Å; E66-S74 PolarHBondContact OE2-OG 3.09Å |
| 67 | A | 96.3 | Very high | 96.7 | Very high | 3 Ų | 3 | 50.6 Ų | 50.6 | 3% | 0.025 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -62.3 | -41.5 | 174.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | V63 I64 Q69 N70 L75 V78 | V63-A67 VanDerWaalsContact O-CB 3.29Å; V63-A67 WeakPolarHBondContact O-CB 3.44Å; V63-A67 PolarHBondContact O-N 3.29Å; I64-A67 WeakPolarHBondContact O-CB 3.3Å; I64-A67 PolarHBondContact O-N 3.01Å; A67-Q69 PolarHBondContact O-N 2.74Å; A67-N70 WeakPolarHBondContact O-CA 3.46Å; A67-N70 PolarHBondContact O-N 3.26Å; A67-L75 HydrophobicContact CB-CD2 4.01Å; A67-L75 HydrophobicContact CB-CG 4.1Å; A67-V78 HydrophobicContact CB-CG2 4.04Å |
| 68 | D | 93.2 | Very high | 96.6 | Very high | 88 Ų | 88 | 51.2 Ų | 51.2 | 47% | 0.471 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -65.9 | -17.8 | 175.3 | -68.8 | -9 | 0 | 0 | 0 | 112.1 | I64 L65 E66 N70 R101 | I64-D68 WeakPolarHBondContact O-CB 3.25Å; I64-D68 VanDerWaalsContact O-CG 3.22Å; I64-D68 PolarHBondContact O-N 3.32Å; L65-D68 PolarHBondContact O-N 2.91Å; E66-D68 PolarHBondContact O-N 2.8Å; D68-N70 VanDerWaalsContact C-N 3.33Å; D68-R101 IonicContact OD1-CZ 3.07Å; D68-R101 IonicContact OD1-NH1 3.97Å; D68-R101 PolarHBondContact OD1-NH1 3.1Å; D68-R101 IonicContact OD1-NH2 3.88Å; D68-R101 IonicContact OD2-NH1 2.67Å; D68-R101 PolarHBondContact OD2-NH1 2.95Å |
| 69 | Q | 93 | Very high | 96.6 | Very high | 129 Ų | 129 | 56.4 Ų | 56.4 | 60% | 0.603 | 29% | 0.29 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -91.8 | 9.3 | 171.3 | -66.1 | 169.3 | 21.2 | 0 | 0 | 113.2 | L65 E66 A67 | L65-Q69 WeakPolarHBondContact O-CG 3.31Å; L65-Q69 PolarHBondContact O-N 3.16Å; E66-Q69 CarbonylContact O-C 3.58Å; E66-Q69 WeakPolarHBondContact O-CA 2.96Å; E66-Q69 WeakPolarHBondContact O-CB 3.36Å; E66-Q69 PolarHBondContact O-N 3.49Å; A67-Q69 PolarHBondContact O-N 2.74Å |
| 70 | N | 95.3 | Very high | 96.6 | Very high | 133 Ų | 133 | 57.4 Ų | 57.4 | 71% | 0.711 | 29% | 0.293 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 67.4 | 27.5 | -178.5 | -49.3 | -80.9 | 0 | 0 | 0 | 114.8 | E66 A67 D68 S72 | E66-N70 PolarHBondContact O-N 2.97Å; A67-N70 WeakPolarHBondContact O-CA 3.46Å; A67-N70 PolarHBondContact O-N 3.26Å; D68-N70 VanDerWaalsContact C-N 3.33Å; N70-S72 PolarHBondContact O-N 3.1Å |
| 71 | D | 97.6 | Very high | 96.6 | Very high | 65 Ų | 65 | 57.4 Ų | 57.4 | 35% | 0.348 | 29% | 0.293 | S | S | . | . | trans | -67.1 | 119.1 | 167.1 | 179.7 | 69.9 | 0 | 0 | 0 | 110.1 | E66 Q73 S74 L75 | E66-D71 HydrophobicContact CB-CB 4.12Å; E66-D71 VanDerWaalsContact O-CB 3.3Å; E66-D71 WeakPolarHBondContact O-CB 3.29Å; E66-D71 PolarHBondContact O-N 3.26Å; D71-Q73 PolarHBondContact O-N 3.45Å; D71-Q73 PolarHBondContact OD2-N 2.62Å; D71-S74 PolarHBondContact O-N 2.77Å; D71-S74 WeakPolarHBondContact OD2-CB 3.25Å; D71-S74 PolarHBondContact OD2-N 3.26Å; D71-S74 PolarHBondContact OD2-OG 2.78Å; D71-L75 WeakPolarHBondContact O-CB 3.46Å; D71-L75 WeakPolarHBondContact O-CG 3.46Å; D71-L75 PolarHBondContact O-N 3.01Å | ||
| 72 | S | 96.9 | Very high | 96.8 | Very high | 91 Ų | 91 | 60.3 Ų | 60.3 | 64% | 0.636 | 31% | 0.306 | S | S | * | . | H | α-helix | trans | -65.8 | -38.9 | -171.5 | 55.9 | 0 | 0 | 0 | 0 | 112.9 | N70 E76 | N70-S72 PolarHBondContact O-N 3.1Å; S72-E76 PolarHBondContact O-N 2.89Å; S72-E76 VanDerWaalsContact O-N 3.15Å |
| 73 | Q | 97.2 | Very high | 96.9 | Very high | 126 Ų | 126 | 62.7 Ų | 62.7 | 59% | 0.589 | 32% | 0.316 | S | S | * | . | H | α-helix | trans | -65.1 | -47.8 | 178 | -177.2 | 176.5 | -3.8 | 0 | 0 | 109.9 | D71 L75 E76 L77 | D71-Q73 PolarHBondContact O-N 3.45Å; D71-Q73 PolarHBondContact OD2-N 2.62Å; Q73-L75 PolarHBondContact O-N 3Å; Q73-E76 PolarHBondContact O-N 2.88Å; Q73-L77 WeakPolarHBondContact O-CG 3.17Å; Q73-L77 PolarHBondContact O-N 2.86Å |
| 74 | S | 97.6 | Very high | 97 | Very high | 4 Ų | 4 | 62.6 Ų | 62.6 | 3% | 0.028 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -64.8 | -39.8 | -179.8 | -60.8 | 0 | 0 | 0 | 0 | 112.8 | V63 E66 D71 E76 L77 V78 | V63-S74 WeakPolarHBondContact O-CB 3.43Å; E66-S74 WeakPolarHBondContact CB-OG 3.15Å; E66-S74 PolarHBondContact OE2-OG 3.09Å; D71-S74 PolarHBondContact O-N 2.77Å; D71-S74 WeakPolarHBondContact OD2-CB 3.25Å; D71-S74 PolarHBondContact OD2-N 3.26Å; D71-S74 PolarHBondContact OD2-OG 2.78Å; S74-E76 VanDerWaalsContact C-N 3.3Å; S74-E76 PolarHBondContact O-N 2.82Å; S74-L77 PolarHBondContact O-N 2.94Å; S74-V78 WeakPolarHBondContact O-CG2 3.5Å; S74-V78 PolarHBondContact O-N 3.09Å |
| 75 | L | 97.9 | Very high | 97 | Very high | 80 Ų | 80 | 64.1 Ų | 64.1 | 42% | 0.419 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -55.8 | -45.7 | 171.7 | -80.4 | 167.7 | 0 | 0 | 0 | 111.3 | A67 D71 Q73 V78 H79 | A67-L75 HydrophobicContact CB-CD2 4.01Å; A67-L75 HydrophobicContact CB-CG 4.1Å; D71-L75 WeakPolarHBondContact O-CB 3.46Å; D71-L75 WeakPolarHBondContact O-CG 3.46Å; D71-L75 PolarHBondContact O-N 3.01Å; Q73-L75 PolarHBondContact O-N 3Å; L75-V78 PolarHBondContact O-N 3.18Å; L75-H79 VanDerWaalsContact O-CB 3.26Å; L75-H79 WeakPolarHBondContact O-CB 3.26Å; L75-H79 PolarHBondContact O-N 2.67Å |
| 76 | E | 98 | Very high | 97.2 | Very high | 110 Ų | 110 | 68.4 Ų | 68.4 | 51% | 0.514 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -67.2 | -38.9 | 179.3 | -169.4 | 172.8 | 164.6 | 0 | 0 | 112.5 | S72 Q73 S74 R80 | S72-E76 PolarHBondContact O-N 2.89Å; S72-E76 VanDerWaalsContact O-N 3.15Å; Q73-E76 PolarHBondContact O-N 2.88Å; S74-E76 VanDerWaalsContact C-N 3.3Å; S74-E76 PolarHBondContact O-N 2.82Å; E76-R80 WeakPolarHBondContact O-CB 3.27Å; E76-R80 PolarHBondContact O-N 3.39Å; E76-R80 IonicContact OE1-CZ 3.82Å; E76-R80 IonicContact OE1-NH2 3.56Å; E76-R80 PolarHBondContact OE1-NH2 2.69Å |
| 77 | L | 98.3 | Very high | 97.3 | Very high | 18 Ų | 18 | 67 Ų | 67 | 9% | 0.094 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -63.6 | -45 | 174.9 | -62.3 | -177.8 | 0 | 0 | 0 | 111.8 | L43 V63 Q73 S74 F81 | L43-L77 HydrophobicContact CB-CB 4.44Å; L43-L77 HydrophobicContact CB-CD2 3.82Å; L43-L77 VanDerWaalsContact O-CD2 3.26Å; L43-L77 WeakPolarHBondContact O-CD2 3.28Å; V63-L77 HydrophobicContact CG1-CB 4.07Å; V63-L77 HydrophobicContact CG1-CD1 4.08Å; Q73-L77 WeakPolarHBondContact O-CG 3.17Å; Q73-L77 PolarHBondContact O-N 2.86Å; S74-L77 PolarHBondContact O-N 2.94Å; L77-F81 WeakPolarHBondContact O-CB 3.49Å; L77-F81 PolarHBondContact O-N 3.34Å |
| 78 | V | 98.3 | Very high | 97.4 | Very high | 13 Ų | 13 | 68.4 Ų | 68.4 | 8% | 0.079 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -66.5 | -41.8 | 178.3 | 173.2 | 0 | 0 | 0 | 0 | 110.8 | V63 I64 A67 S74 L75 F81 Q82 L97 | V63-V78 HydrophobicContact CG1-CG2 4.04Å; I64-V78 HydrophobicContact CG1-CG2 4.01Å; A67-V78 HydrophobicContact CB-CG2 4.04Å; S74-V78 WeakPolarHBondContact O-CG2 3.5Å; S74-V78 PolarHBondContact O-N 3.09Å; L75-V78 PolarHBondContact O-N 3.18Å; V78-F81 PolarHBondContact O-N 3.08Å; V78-Q82 WeakPolarHBondContact O-CB 3.33Å; V78-Q82 PolarHBondContact O-N 3.21Å; V78-L97 HydrophobicContact CG1-CD1 4.4Å |
| 79 | H | 97.9 | Very high | 97.5 | Very high | 110 Ų | 110 | 69.3 Ų | 69.3 | 51% | 0.509 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -61 | -52 | 177.1 | -175.4 | -89 | 0 | 0 | 0 | 111.5 | L75 F81 Q82 E83 | L75-H79 VanDerWaalsContact O-CB 3.26Å; L75-H79 WeakPolarHBondContact O-CB 3.26Å; L75-H79 PolarHBondContact O-N 2.67Å; H79-F81 VanDerWaalsContact C-N 3.25Å; H79-F81 PolarHBondContact O-N 2.89Å; H79-Q82 PolarHBondContact O-N 3.44Å; H79-Q82 VanDerWaalsContact O-N 3.08Å; H79-E83 IonicContact CE1-OE1 3.95Å; H79-E83 PolarHBondContact CE1-OE1 3.43Å; H79-E83 IonicContact CE1-OE2 3.96Å; H79-E83 PolarHBondContact CE1-OE2 2.95Å; H79-E83 IonicContact ND1-OE1 3.23Å; H79-E83 IonicContact ND1-OE2 3.17Å; H79-E83 PolarHBondContact ND1-OE2 3.5Å; H79-E83 WeakPolarHBondContact O-CG 3.31Å; H79-E83 PolarHBondContact O-N 3.1Å |
| 80 | R | 98.1 | Very high | 97.7 | Very high | 50 Ų | 50 | 67.9 Ų | 67.9 | 19% | 0.189 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -60.1 | -37.7 | 179.2 | -172.7 | -179.4 | -65.7 | 103.7 | 6.1 | 112.1 | L43 R45 I47 E76 Y84 | L43-R80 VanDerWaalsContact O-CD 3.31Å; L43-R80 WeakPolarHBondContact O-CD 3.1Å; L43-R80 PolarHBondContact O-NH1 2.92Å; R45-R80 VanDerWaalsContact O-CD 3.27Å; R45-R80 WeakPolarHBondContact O-CD 3.48Å; I47-R80 HydrophobicContact CD1-CG 4.24Å; I47-R80 WeakPolarHBondContact CD1-O 3.34Å; I47-R80 HydrophobicContact CG1-CG 4.27Å; E76-R80 WeakPolarHBondContact O-CB 3.27Å; E76-R80 PolarHBondContact O-N 3.39Å; E76-R80 IonicContact OE1-CZ 3.82Å; E76-R80 IonicContact OE1-NH2 3.56Å; E76-R80 PolarHBondContact OE1-NH2 2.69Å; R80-Y84 PolarHBondContact O-N 2.83Å |
| 81 | F | 98.5 | Very high | 97.8 | Very high | 0 Ų | 0 | 61.9 Ų | 61.9 | 0% | 0 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -63.4 | -49.1 | 173.8 | -170.3 | -91.3 | 0 | 0 | 0 | 111.1 | L43 I47 I56 H58 L60 L77 V78 H79 E83 Y84 I85 V93 L97 | L43-F81 HydrophobicContact CD1-CD2 4.11Å; L43-F81 HydrophobicContact CD2-CD2 3.82Å; I47-F81 HydrophobicContact CD1-CD2 4.46Å; I56-F81 HydrophobicContact CD1-CE2 4.33Å; I56-F81 HydrophobicContact CG2-CE2 3.78Å; I56-F81 HydrophobicContact CG2-CZ 3.8Å; H58-F81 AromaticContact CD2-CZ 3.9Å; L60-F81 HydrophobicContact CD1-CB 4.49Å; L60-F81 HydrophobicContact CD1-CD1 3.98Å; L60-F81 HydrophobicContact CD1-CD2 3.85Å; L60-F81 HydrophobicContact CD1-CE1 4.08Å; L60-F81 HydrophobicContact CD1-CE2 3.95Å; L60-F81 HydrophobicContact CD1-CG 3.84Å; L60-F81 HydrophobicContact CD1-CZ 4.06Å; L77-F81 WeakPolarHBondContact O-CB 3.49Å; L77-F81 PolarHBondContact O-N 3.34Å; V78-F81 PolarHBondContact O-N 3.08Å; H79-F81 VanDerWaalsContact C-N 3.25Å; H79-F81 PolarHBondContact O-N 2.89Å; F81-E83 PolarHBondContact O-N 2.9Å; F81-Y84 PolarHBondContact O-N 3.35Å; F81-I85 HydrophobicContact CD1-CG1 3.91Å; F81-I85 HydrophobicContact CE1-CD1 4.1Å; F81-I85 HydrophobicContact CE1-CG1 3.68Å; F81-I85 HydrophobicContact CZ-CD1 4.2Å; F81-I85 HydrophobicContact CZ-CG1 4.29Å; F81-I85 WeakPolarHBondContact O-CG1 3.49Å; F81-I85 PolarHBondContact O-N 3.44Å; F81-V93 HydrophobicContact CE1-CG1 4.22Å; F81-V93 HydrophobicContact CZ-CG1 4.11Å; F81-L97 HydrophobicContact CD1-CD1 3.92Å; F81-L97 HydrophobicContact CD1-CD2 4.11Å; F81-L97 HydrophobicContact CD1-CG 4.2Å; F81-L97 HydrophobicContact CE1-CD1 4.38Å; F81-L97 HydrophobicContact CE1-CD2 3.85Å; F81-L97 HydrophobicContact CE1-CG 4.16Å |
| 82 | Q | 98.3 | Very high | 97.9 | Very high | 65 Ų | 65 | 60.1 Ų | 60.1 | 30% | 0.304 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -60.9 | -44.3 | 179.5 | -172.1 | 64.4 | 62.4 | 0 | 0 | 112 | V78 H79 Y84 I85 D86 | V78-Q82 WeakPolarHBondContact O-CB 3.33Å; V78-Q82 PolarHBondContact O-N 3.21Å; H79-Q82 PolarHBondContact O-N 3.44Å; H79-Q82 VanDerWaalsContact O-N 3.08Å; Q82-Y84 VanDerWaalsContact C-N 3.3Å; Q82-Y84 PolarHBondContact O-N 2.85Å; Q82-I85 PolarHBondContact O-N 3.11Å; Q82-I85 VanDerWaalsContact O-N 3.16Å; Q82-D86 PolarHBondContact NE2-OD1 2.99Å; Q82-D86 WeakPolarHBondContact O-CB 3.14Å; Q82-D86 VanDerWaalsContact O-CG 3.23Å; Q82-D86 PolarHBondContact O-N 2.87Å |
| 83 | E | 98.1 | Very high | 98 | Very high | 108 Ų | 108 | 56.7 Ų | 56.7 | 51% | 0.505 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -56.2 | -43.1 | 176.5 | -74.9 | 179.9 | 128.2 | 0 | 0 | 112.2 | H79 F81 D86 A87 | H79-E83 IonicContact CE1-OE1 3.95Å; H79-E83 PolarHBondContact CE1-OE1 3.43Å; H79-E83 IonicContact CE1-OE2 3.96Å; H79-E83 PolarHBondContact CE1-OE2 2.95Å; H79-E83 IonicContact ND1-OE1 3.23Å; H79-E83 IonicContact ND1-OE2 3.17Å; H79-E83 PolarHBondContact ND1-OE2 3.5Å; H79-E83 WeakPolarHBondContact O-CG 3.31Å; H79-E83 PolarHBondContact O-N 3.1Å; F81-E83 PolarHBondContact O-N 2.9Å; E83-D86 PolarHBondContact O-N 3.47Å; E83-A87 WeakPolarHBondContact O-CB 3.49Å; E83-A87 PolarHBondContact O-N 3.33Å |
| 84 | Y | 98.5 | Very high | 98 | Very high | 7 Ų | 7 | 51 Ų | 51 | 3% | 0.027 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -66.5 | -43.1 | 177.1 | -175.8 | -99 | 0 | 0 | 0 | 112.1 | I47 E48 L53 I56 R80 F81 Q82 D86 A87 H88 T91 | I47-Y84 HydrophobicContact CB-CD1 4.29Å; I47-Y84 HydrophobicContact CB-CD2 3.56Å; I47-Y84 HydrophobicContact CB-CE2 4.11Å; I47-Y84 HydrophobicContact CB-CG 3.66Å; I47-Y84 HydrophobicContact CD1-CG 4.2Å; I47-Y84 HydrophobicContact CG2-CD1 3.57Å; I47-Y84 HydrophobicContact CG2-CD2 3.54Å; I47-Y84 HydrophobicContact CG2-CE1 3.76Å; I47-Y84 HydrophobicContact CG2-CE2 3.72Å; I47-Y84 HydrophobicContact CG2-CG 3.46Å; I47-Y84 VanDerWaalsContact CG2-CG 3.46Å; E48-Y84 VanDerWaalsContact OE1-CD2 3.3Å; E48-Y84 WeakPolarHBondContact OE1-CD2 3.41Å; L53-Y84 HydrophobicContact CD1-CE1 4Å; I56-Y84 HydrophobicContact CD1-CD1 4.03Å; I56-Y84 HydrophobicContact CD1-CE1 3.9Å; R80-Y84 PolarHBondContact O-N 2.83Å; F81-Y84 PolarHBondContact O-N 3.35Å; Q82-Y84 VanDerWaalsContact C-N 3.3Å; Q82-Y84 PolarHBondContact O-N 2.85Å; Y84-D86 VanDerWaalsContact C-N 3.32Å; Y84-D86 PolarHBondContact O-N 2.91Å; Y84-A87 PolarHBondContact O-N 2.85Å; Y84-H88 AromaticContact CD2-CD2 3.45Å; Y84-H88 VanDerWaalsContact CD2-CD2 3.45Å; Y84-H88 WeakPolarHBondContact CD2-CD2 3.06Å; Y84-H88 AromaticContact CD2-NE2 3.95Å; Y84-H88 HydrophobicContact CE1-CB 4.44Å; Y84-H88 AromaticContact CE2-CD2 3.21Å; Y84-H88 WeakPolarHBondContact CE2-CD2 3.31Å; Y84-H88 AromaticContact CE2-NE2 3.5Å; Y84-H88 AromaticContact CZ-CD2 3.63Å; Y84-H88 WeakPolarHBondContact O-CB 3.36Å; Y84-H88 PolarHBondContact O-CD2 3.15Å; Y84-H88 PolarHBondContact O-N 3.08Å; Y84-T91 HydrophobicContact CE1-CG2 4.45Å |
| 85 | I | 97.8 | Very high | 98.1 | Very high | 33 Ų | 33 | 51 Ų | 51 | 17% | 0.169 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -63.3 | -40.5 | 177.4 | -61 | -43.5 | 0 | 0 | 0 | 111.2 | I56 F81 Q82 A87 H88 V93 | I56-I85 HydrophobicContact CD1-CD1 3.85Å; F81-I85 HydrophobicContact CD1-CG1 3.91Å; F81-I85 HydrophobicContact CE1-CD1 4.1Å; F81-I85 HydrophobicContact CE1-CG1 3.68Å; F81-I85 HydrophobicContact CZ-CD1 4.2Å; F81-I85 HydrophobicContact CZ-CG1 4.29Å; F81-I85 WeakPolarHBondContact O-CG1 3.49Å; F81-I85 PolarHBondContact O-N 3.44Å; Q82-I85 PolarHBondContact O-N 3.11Å; Q82-I85 VanDerWaalsContact O-N 3.16Å; I85-A87 VanDerWaalsContact C-N 3.33Å; I85-A87 PolarHBondContact O-N 2.82Å; I85-H88 CarbonylContact O-C 3.53Å; I85-H88 PolarHBondContact O-N 2.88Å; I85-V93 HydrophobicContact CD1-CG2 3.29Å; I85-V93 HydrophobicContact CG1-CG2 3.88Å; I85-V93 HydrophobicContact CG2-CG2 4.02Å |
| 86 | D | 97.9 | Very high | 98.1 | Very high | 112 Ų | 112 | 49.7 Ų | 49.7 | 60% | 0.599 | 26% | 0.262 | S | S | * | . | H | α-helix | trans | -67.4 | -34.9 | 178.9 | -67.7 | -15 | 0 | 0 | 0 | 111.8 | Q82 E83 Y84 | Q82-D86 PolarHBondContact NE2-OD1 2.99Å; Q82-D86 WeakPolarHBondContact O-CB 3.14Å; Q82-D86 VanDerWaalsContact O-CG 3.23Å; Q82-D86 PolarHBondContact O-N 2.87Å; E83-D86 PolarHBondContact O-N 3.47Å; Y84-D86 VanDerWaalsContact C-N 3.32Å; Y84-D86 PolarHBondContact O-N 2.91Å |
| 87 | A | 98.3 | Very high | 98.1 | Very high | 61 Ų | 61 | 44.9 Ų | 44.9 | 50% | 0.504 | 24% | 0.24 | S | C | . | . | H | α-helix | trans | -76.4 | -26.6 | 176.7 | 0 | 0 | 0 | 0 | 0 | 113.7 | E83 Y84 I85 P89 | E83-A87 WeakPolarHBondContact O-CB 3.49Å; E83-A87 PolarHBondContact O-N 3.33Å; Y84-A87 PolarHBondContact O-N 2.85Å; I85-A87 VanDerWaalsContact C-N 3.33Å; I85-A87 PolarHBondContact O-N 2.82Å; A87-P89 VanDerWaalsContact C-CD 3.49Å; A87-P89 WeakPolarHBondContact O-CD 3.49Å |
| 88 | H | 97.9 | Very high | 98 | Very high | 33 Ų | 33 | 48.3 Ų | 48.3 | 15% | 0.153 | 26% | 0.263 | C | S | . | . | trans | -123.2 | 70.2 | -174.9 | -66.4 | -76.8 | 0 | 0 | 0 | 112.9 | E48 Y84 I85 E90 T91 | E48-H88 IonicContact OE1-CD2 3.97Å; E48-H88 IonicContact OE1-NE2 3.85Å; E48-H88 PolarHBondContact OE1-NE2 2.76Å; E48-H88 IonicContact OE2-CE1 3.53Å; E48-H88 IonicContact OE2-NE2 2.75Å; E48-H88 PolarHBondContact OE2-NE2 2.95Å; Y84-H88 AromaticContact CD2-CD2 3.45Å; Y84-H88 VanDerWaalsContact CD2-CD2 3.45Å; Y84-H88 WeakPolarHBondContact CD2-CD2 3.06Å; Y84-H88 AromaticContact CD2-NE2 3.95Å; Y84-H88 HydrophobicContact CE1-CB 4.44Å; Y84-H88 AromaticContact CE2-CD2 3.21Å; Y84-H88 WeakPolarHBondContact CE2-CD2 3.31Å; Y84-H88 AromaticContact CE2-NE2 3.5Å; Y84-H88 AromaticContact CZ-CD2 3.63Å; Y84-H88 WeakPolarHBondContact O-CB 3.36Å; Y84-H88 PolarHBondContact O-CD2 3.15Å; Y84-H88 PolarHBondContact O-N 3.08Å; I85-H88 CarbonylContact O-C 3.53Å; I85-H88 PolarHBondContact O-N 2.88Å; H88-E90 VanDerWaalsContact C-OE2 3.26Å; H88-E90 WeakPolarHBondContact CA-OE2 3.38Å; H88-E90 IonicContact CE1-OE1 3.33Å; H88-E90 IonicContact CG-OE1 2.69Å; H88-E90 IonicContact ND1-OE1 3.7Å; H88-E90 PolarHBondContact ND1-OE1 2.99Å; H88-E90 PolarHBondContact O-N 3.28Å; H88-E90 VanDerWaalsContact O-N 3.09Å; H88-T91 WeakPolarHBondContact O-CB 3.37Å; H88-T91 PolarHBondContact O-N 2.81Å | ||
| 89 | P | 96.8 | Very high | 98 | Very high | 107 Ų | 107 | 47.9 Ų | 47.9 | 70% | 0.695 | 26% | 0.261 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.5 | -16.4 | 178.1 | 28.3 | -36.8 | 0 | 0 | 0 | 113.6 | A87 T91 | A87-P89 VanDerWaalsContact C-CD 3.49Å; A87-P89 WeakPolarHBondContact O-CD 3.49Å; P89-T91 VanDerWaalsContact C-N 3.3Å |
| 90 | E | 96.3 | Very high | 98 | Very high | 99 Ų | 99 | 42.8 Ų | 42.8 | 46% | 0.463 | 24% | 0.238 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -72.4 | -18.1 | 170.7 | 71.3 | -82.2 | -165.9 | 0 | 0 | 113.8 | H88 I92 Q323 | H88-E90 VanDerWaalsContact C-OE2 3.26Å; H88-E90 WeakPolarHBondContact CA-OE2 3.38Å; H88-E90 IonicContact CE1-OE1 3.33Å; H88-E90 IonicContact CG-OE1 2.69Å; H88-E90 IonicContact ND1-OE1 3.7Å; H88-E90 PolarHBondContact ND1-OE1 2.99Å; H88-E90 PolarHBondContact O-N 3.28Å; H88-E90 VanDerWaalsContact O-N 3.09Å; E90-I92 PolarHBondContact O-N 2.88Å; E90-Q323 PolarHBondContact O-NE2 2.7Å |
| 91 | T | 98.3 | Very high | 97.9 | Very high | 8 Ų | 8 | 44.8 Ų | 44.8 | 5% | 0.049 | 25% | 0.245 | C | C | . | . | S | Bend | trans | -80.5 | 118.5 | 177.6 | -59.8 | 0 | 0 | 0 | 0 | 110.2 | L53 I56 Y84 H88 P89 | L53-T91 HydrophobicContact CB-CG2 4.15Å; L53-T91 PolarHBondContact O-OG1 2.84Å; L53-T91 VanDerWaalsContact O-OG1 3.09Å; I56-T91 HydrophobicContact CB-CG2 4.45Å; I56-T91 HydrophobicContact CD1-CG2 3.71Å; I56-T91 HydrophobicContact CG1-CG2 3.7Å; Y84-T91 HydrophobicContact CE1-CG2 4.45Å; H88-T91 WeakPolarHBondContact O-CB 3.37Å; H88-T91 PolarHBondContact O-N 2.81Å; P89-T91 VanDerWaalsContact C-N 3.3Å |
| 92 | I | 98.6 | Very high | 97.9 | Very high | 28 Ų | 28 | 46.6 Ų | 46.6 | 14% | 0.144 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.3 | 125.4 | 176.9 | -56.9 | 173 | 0 | 0 | 0 | 109.6 | D54 V55 I56 E90 L94 V319 L320 Q323 | D54-I92 PolarHBondContact O-N 3.39Å; V55-I92 CarbonylContact C-O 3.48Å; V55-I92 VanDerWaalsContact CA-O 3.25Å; V55-I92 WeakPolarHBondContact CA-O 3.14Å; V55-I92 HydrophobicContact CG1-CB 4.48Å; V55-I92 HydrophobicContact CG2-CB 4.28Å; I56-I92 PolarHBondContact N-O 3.21Å; E90-I92 PolarHBondContact O-N 2.88Å; I92-L94 HydrophobicContact CG2-CD2 4.04Å; I92-V319 HydrophobicContact CD1-CB 4.08Å; I92-V319 HydrophobicContact CD1-CG2 3.95Å; I92-V319 HydrophobicContact CG2-CB 4.2Å; I92-V319 HydrophobicContact CG2-CG2 4.02Å; I92-L320 HydrophobicContact CD1-CD2 4.06Å; I92-L320 HydrophobicContact CD1-CG 4.46Å; I92-Q323 HydrophobicContact CD1-CB 4.09Å |
| 93 | V | 98.8 | Very high | 97.8 | Very high | 19 Ų | 19 | 43.9 Ų | 43.9 | 12% | 0.115 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.5 | 119.9 | 179.4 | -172.2 | 0 | 0 | 0 | 0 | 110.8 | H58 F81 I85 D95 P96 | H58-V93 WeakPolarHBondContact NE2-CG1 3.38Å; F81-V93 HydrophobicContact CE1-CG1 4.22Å; F81-V93 HydrophobicContact CZ-CG1 4.11Å; I85-V93 HydrophobicContact CD1-CG2 3.29Å; I85-V93 HydrophobicContact CG1-CG2 3.88Å; I85-V93 HydrophobicContact CG2-CG2 4.02Å; V93-D95 WeakPolarHBondContact O-CA 3.33Å; V93-P96 WeakPolarHBondContact O-CD 3.44Å |
| 94 | L | 98.7 | Very high | 97.8 | Very high | 6 Ų | 6 | 39.3 Ų | 39.3 | 3% | 0.031 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.4 | 90.8 | 174.9 | -55.7 | -175.5 | 0 | 0 | 0 | 108.6 | V55 I56 I57 H58 I92 L277 I316 | V55-L94 HydrophobicContact CG1-CD1 3.84Å; V55-L94 HydrophobicContact CG1-CG 3.97Å; I56-L94 PolarHBondContact O-N 3.47Å; I57-L94 HydrophobicContact CG1-CB 4.46Å; I57-L94 HydrophobicContact CG1-CD1 4.25Å; H58-L94 PolarHBondContact CD2-O 2.86Å; H58-L94 PolarHBondContact N-O 2.94Å; I92-L94 HydrophobicContact CG2-CD2 4.04Å; L94-L277 HydrophobicContact CB-CD1 4.29Å; L94-I316 HydrophobicContact CD1-CG1 4.21Å |
| 95 | D | 98.5 | Very high | 97.7 | Very high | 5 Ų | 5 | 39.9 Ų | 39.9 | 3% | 0.027 | 23% | 0.226 | C | C | . | . | S | Bend | cis | -124.2 | 158 | 6.2 | -70.6 | -38.4 | 0 | 0 | 0 | 111.7 | H58 V93 L97 I100 V275 S276 L277 | H58-D95 PolarHBondContact CE1-O 3.48Å; H58-D95 PolarHBondContact NE2-O 2.87Å; V93-D95 WeakPolarHBondContact O-CA 3.33Å; D95-L97 PolarHBondContact O-N 3.33Å; D95-I100 HydrophobicContact CB-CD1 4.11Å; D95-V275 HydrophobicContact CB-CG1 4.44Å; D95-S276 WeakPolarHBondContact OD1-CB 3.45Å; D95-S276 PolarHBondContact OD1-N 3.32Å; D95-S276 PolarHBondContact OD1-OG 3.04Å; D95-S276 PolarHBondContact OD2-N 2.87Å; D95-L277 PolarHBondContact OD2-N 3.27Å |
| 96 | P | 98.3 | Very high | 97.7 | Very high | 52 Ų | 52 | 38.5 Ų | 38.5 | 34% | 0.338 | 22% | 0.219 | S | C | . | . | trans | -53.1 | 137.8 | -175.2 | -26.6 | 35.5 | 0 | 0 | 0 | 113.8 | V93 P98 A99 I100 G274 | V93-P96 WeakPolarHBondContact O-CD 3.44Å; P96-P98 VanDerWaalsContact C-CD 3.41Å; P96-P98 VanDerWaalsContact C-N 3.33Å; P96-A99 WeakPolarHBondContact O-CA 3.45Å; P96-A99 WeakPolarHBondContact O-CB 3.46Å; P96-A99 PolarHBondContact O-N 3.3Å; P96-I100 PolarHBondContact O-N 3.26Å; P96-G274 VanDerWaalsContact CD-O 3.28Å; P96-G274 WeakPolarHBondContact CD-O 3.32Å | ||
| 97 | L | 97.8 | Very high | 97.7 | Very high | 8 Ų | 8 | 34.2 Ų | 34.2 | 4% | 0.042 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -53.7 | -39.1 | -178.4 | -59.5 | -163.1 | 0 | 0 | 0 | 114.4 | H58 L60 I64 V78 F81 D95 A99 I100 R101 | H58-L97 VanDerWaalsContact CE1-CD2 3.46Å; H58-L97 WeakPolarHBondContact CE1-CD2 3.35Å; L60-L97 HydrophobicContact CD1-CD2 4.32Å; I64-L97 HydrophobicContact CD1-CD2 4.05Å; V78-L97 HydrophobicContact CG1-CD1 4.4Å; F81-L97 HydrophobicContact CD1-CD1 3.92Å; F81-L97 HydrophobicContact CD1-CD2 4.11Å; F81-L97 HydrophobicContact CD1-CG 4.2Å; F81-L97 HydrophobicContact CE1-CD1 4.38Å; F81-L97 HydrophobicContact CE1-CD2 3.85Å; F81-L97 HydrophobicContact CE1-CG 4.16Å; D95-L97 PolarHBondContact O-N 3.33Å; L97-A99 VanDerWaalsContact C-N 3.25Å; L97-A99 PolarHBondContact O-N 2.81Å; L97-I100 PolarHBondContact O-N 2.89Å; L97-R101 WeakPolarHBondContact O-CG 3.48Å; L97-R101 PolarHBondContact O-N 3.22Å |
| 98 | P | 97.4 | Very high | 97.7 | Very high | 91 Ų | 91 | 37.1 Ų | 37.1 | 59% | 0.591 | 20% | 0.199 | S | C | * | . | H | α-helix | trans | -58.9 | -36.8 | 175.1 | -25.8 | 36 | 0 | 0 | 0 | 113.3 | P96 R101 T102 | P96-P98 VanDerWaalsContact C-CD 3.41Å; P96-P98 VanDerWaalsContact C-N 3.33Å; P98-R101 PolarHBondContact O-N 2.58Å; P98-T102 PolarHBondContact O-N 3.17Å; P98-T102 VanDerWaalsContact O-N 3.15Å; P98-T102 PolarHBondContact O-OG1 2.96Å |
| 99 | A | 96.7 | Very high | 97.7 | Very high | 3 Ų | 3 | 35.8 Ų | 35.8 | 3% | 0.025 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -66.8 | -45.6 | 176.9 | 0 | 0 | 0 | 0 | 0 | 110.6 | P96 L97 R101 T102 L103 L273 V275 | P96-A99 WeakPolarHBondContact O-CA 3.45Å; P96-A99 WeakPolarHBondContact O-CB 3.46Å; P96-A99 PolarHBondContact O-N 3.3Å; L97-A99 VanDerWaalsContact C-N 3.25Å; L97-A99 PolarHBondContact O-N 2.81Å; A99-R101 VanDerWaalsContact C-N 3.32Å; A99-R101 PolarHBondContact O-N 2.74Å; A99-T102 WeakPolarHBondContact O-CB 3.45Å; A99-T102 PolarHBondContact O-N 2.89Å; A99-L103 PolarHBondContact O-N 3Å; A99-L273 HydrophobicContact CB-CB 4.5Å; A99-L273 WeakPolarHBondContact CB-O 3.39Å; A99-V275 HydrophobicContact CB-CG1 3.61Å |
| 100 | I | 97.8 | Very high | 97.8 | Very high | 4 Ų | 4 | 30.9 Ų | 30.9 | 2% | 0.021 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -60.1 | -41.5 | 176.2 | -56.1 | -58.2 | 0 | 0 | 0 | 111.6 | I64 D95 P96 L97 T102 L103 L104 A298 | I64-I100 HydrophobicContact CD1-CB 4.28Å; I64-I100 HydrophobicContact CD1-CG2 3.75Å; D95-I100 HydrophobicContact CB-CD1 4.11Å; P96-I100 PolarHBondContact O-N 3.26Å; L97-I100 PolarHBondContact O-N 2.89Å; I100-T102 VanDerWaalsContact C-N 3.33Å; I100-T102 PolarHBondContact O-N 3.03Å; I100-L103 CarbonylContact O-C 3.56Å; I100-L103 PolarHBondContact O-N 3.26Å; I100-L104 HydrophobicContact CG2-CD1 4.47Å; I100-L104 PolarHBondContact O-N 3.49Å; I100-L104 VanDerWaalsContact O-N 3.1Å; I100-A298 HydrophobicContact CD1-CB 3.86Å |
| 101 | R | 97.3 | Very high | 97.9 | Very high | 91 Ų | 91 | 28.8 Ų | 28.8 | 34% | 0.343 | 15% | 0.151 | S | C | . | . | H | α-helix | trans | -63.7 | -36.6 | 177.3 | -73 | -178.5 | -177.7 | -76.2 | 3.5 | 112.8 | I64 D68 L97 P98 A99 L103 L104 | I64-R101 HydrophobicContact CG2-CG 4.06Å; I64-R101 VanDerWaalsContact CG2-NH1 3.34Å; D68-R101 IonicContact OD1-CZ 3.07Å; D68-R101 IonicContact OD1-NH1 3.97Å; D68-R101 PolarHBondContact OD1-NH1 3.1Å; D68-R101 IonicContact OD1-NH2 3.88Å; D68-R101 IonicContact OD2-NH1 2.67Å; D68-R101 PolarHBondContact OD2-NH1 2.95Å; L97-R101 WeakPolarHBondContact O-CG 3.48Å; L97-R101 PolarHBondContact O-N 3.22Å; P98-R101 PolarHBondContact O-N 2.58Å; A99-R101 VanDerWaalsContact C-N 3.32Å; A99-R101 PolarHBondContact O-N 2.74Å; R101-L103 VanDerWaalsContact C-N 3.34Å; R101-L104 PolarHBondContact O-N 2.8Å |
| 102 | T | 97.1 | Very high | 97.9 | Very high | 39 Ų | 39 | 29.9 Ų | 29.9 | 24% | 0.239 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -62.1 | -44.6 | 173 | -57.7 | 0 | 0 | 0 | 0 | 110.9 | P98 A99 I100 L104 D105 K108 S109 L112 L273 | P98-T102 PolarHBondContact O-N 3.17Å; P98-T102 VanDerWaalsContact O-N 3.15Å; P98-T102 PolarHBondContact O-OG1 2.96Å; A99-T102 WeakPolarHBondContact O-CB 3.45Å; A99-T102 PolarHBondContact O-N 2.89Å; I100-T102 VanDerWaalsContact C-N 3.33Å; I100-T102 PolarHBondContact O-N 3.03Å; T102-L104 PolarHBondContact O-N 2.75Å; T102-D105 PolarHBondContact O-N 3.49Å; T102-K108 HydrophobicContact CG2-CB 4.38Å; T102-S109 PolarHBondContact O-OG 2.9Å; T102-L112 HydrophobicContact CG2-CD2 4.16Å; T102-L273 HydrophobicContact CG2-CD2 3.75Å |
| 103 | L | 97.5 | Very high | 97.9 | Very high | 8 Ų | 8 | 28.9 Ų | 28.9 | 4% | 0.042 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -73.7 | -7 | -179.8 | -61.4 | -170.9 | 0 | 0 | 0 | 114.9 | A99 I100 R101 D105 S109 A161 L273 V275 I296 A298 | A99-L103 PolarHBondContact O-N 3Å; I100-L103 CarbonylContact O-C 3.56Å; I100-L103 PolarHBondContact O-N 3.26Å; R101-L103 VanDerWaalsContact C-N 3.34Å; L103-D105 VanDerWaalsContact C-N 3.34Å; L103-S109 WeakPolarHBondContact CA-OG 3.45Å; L103-A161 WeakPolarHBondContact O-CB 3.32Å; L103-L273 HydrophobicContact CD2-CD1 3.9Å; L103-L273 HydrophobicContact CG-CD1 4.5Å; L103-V275 HydrophobicContact CD1-CG1 3.89Å; L103-I296 HydrophobicContact CD1-CG1 4.4Å; L103-I296 HydrophobicContact CD2-CB 4.38Å; L103-I296 HydrophobicContact CD2-CD1 3.74Å; L103-I296 HydrophobicContact CD2-CG1 3.78Å; L103-I296 HydrophobicContact CD2-CG2 3.77Å; L103-A298 HydrophobicContact CB-CB 4.3Å; L103-A298 HydrophobicContact CD1-CB 3.87Å |
| 104 | L | 97.1 | Very high | 97.9 | Very high | 11 Ų | 11 | 32.9 Ų | 32.9 | 6% | 0.058 | 16% | 0.164 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -83.1 | -13 | 173.4 | -84.9 | 171.3 | 0 | 0 | 0 | 113.2 | T61 I64 L65 I100 R101 T102 A161 H162 | T61-L104 HydrophobicContact CG2-CD2 3.28Å; T61-L104 HydrophobicContact CG2-CG 3.97Å; I64-L104 HydrophobicContact CB-CD1 3.99Å; I64-L104 HydrophobicContact CG2-CD1 3.6Å; L65-L104 HydrophobicContact CB-CD2 4.35Å; I100-L104 HydrophobicContact CG2-CD1 4.47Å; I100-L104 PolarHBondContact O-N 3.49Å; I100-L104 VanDerWaalsContact O-N 3.1Å; R101-L104 PolarHBondContact O-N 2.8Å; T102-L104 PolarHBondContact O-N 2.75Å; L104-A161 PolarHBondContact O-N 3.14Å; L104-H162 HydrophobicContact CD2-CB 4.09Å |
| 105 | D | 97.7 | Very high | 97.8 | Very high | 20 Ų | 20 | 37.8 Ų | 37.8 | 11% | 0.107 | 19% | 0.185 | C | C | . | . | B | Isolated β-bridge | trans | -122.3 | 114.7 | -177.1 | -173.8 | -40.6 | 0 | 0 | 0 | 109.8 | T102 L103 S107 K108 S109 | T102-D105 PolarHBondContact O-N 3.49Å; L103-D105 VanDerWaalsContact C-N 3.34Å; D105-S107 VanDerWaalsContact C-N 3.32Å; D105-S107 PolarHBondContact O-N 3.47Å; D105-S107 WeakPolarHBondContact OD1-CA 3.47Å; D105-S107 VanDerWaalsContact OD1-CB 3.26Å; D105-S107 WeakPolarHBondContact OD1-CB 3.39Å; D105-S107 PolarHBondContact OD1-N 2.9Å; D105-K108 HydrophobicContact CB-CB 4.05Å; D105-K108 HydrophobicContact CB-CD 3.87Å; D105-K108 HydrophobicContact CB-CG 3.98Å; D105-K108 PolarHBondContact O-N 3.09Å; D105-K108 PolarHBondContact OD1-N 3.3Å; D105-K108 VanDerWaalsContact OD1-N 3.13Å; D105-K108 WeakPolarHBondContact OD2-CE 3.23Å; D105-K108 IonicContact OD2-NZ 2.7Å; D105-S109 WeakPolarHBondContact O-CB 3.42Å; D105-S109 PolarHBondContact O-N 3.15Å; D105-S109 PolarHBondContact O-OG 3.03Å |
| 106 | R | 98.1 | Very high | 97.8 | Very high | 4 Ų | 4 | 38.2 Ų | 38.2 | 2% | 0.015 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -63.8 | -37.3 | -178.2 | -69.1 | -162.3 | 177.3 | 104 | 2.8 | 112.6 | S109 Y110 T158 R159 V160 A161 S166 V186 | R106-S109 PolarHBondContact O-N 3.39Å; R106-Y110 HydrophobicContact CB-CE2 4.23Å; R106-Y110 WeakPolarHBondContact O-CB 3.41Å; R106-Y110 PolarHBondContact O-N 2.95Å; R106-T158 WeakPolarHBondContact CD-O 3.35Å; R106-T158 PolarHBondContact NH1-O 2.93Å; R106-T158 PolarHBondContact NH1-OG1 3.13Å; R106-R159 PolarHBondContact N-O 2.73Å; R106-V160 PolarHBondContact NH1-O 2.94Å; R106-A161 HydrophobicContact CG-CB 3.6Å; R106-A161 PolarHBondContact NH2-O 3.05Å; R106-S166 PolarHBondContact NH1-O 3.41Å; R106-S166 PolarHBondContact NH2-O 2.78Å; R106-V186 HydrophobicContact CB-CG2 3.94Å |
| 107 | S | 97.8 | Very high | 97.7 | Very high | 21 Ų | 21 | 36.5 Ų | 36.5 | 15% | 0.147 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -62.5 | -48.5 | 179.5 | -175 | 0 | 0 | 0 | 0 | 109.7 | D105 E111 E132 | D105-S107 VanDerWaalsContact C-N 3.32Å; D105-S107 PolarHBondContact O-N 3.47Å; D105-S107 WeakPolarHBondContact OD1-CA 3.47Å; D105-S107 VanDerWaalsContact OD1-CB 3.26Å; D105-S107 WeakPolarHBondContact OD1-CB 3.39Å; D105-S107 PolarHBondContact OD1-N 2.9Å; S107-E111 WeakPolarHBondContact O-CB 3.22Å; S107-E111 PolarHBondContact O-N 3.44Å; S107-E132 WeakPolarHBondContact CB-OE2 3.11Å; S107-E132 PolarHBondContact OG-OE2 2.9Å; S107-E132 VanDerWaalsContact OG-OE2 3.06Å |
| 108 | K | 97.9 | Very high | 97.7 | Very high | 123 Ų | 123 | 39 Ų | 39 | 54% | 0.535 | 20% | 0.196 | S | C | . | . | H | α-helix | trans | -64.8 | -41.7 | 176.1 | -62.8 | -179.6 | -171.4 | 171.2 | 0 | 112.6 | T102 D105 E111 L112 | T102-K108 HydrophobicContact CG2-CB 4.38Å; D105-K108 HydrophobicContact CB-CB 4.05Å; D105-K108 HydrophobicContact CB-CD 3.87Å; D105-K108 HydrophobicContact CB-CG 3.98Å; D105-K108 PolarHBondContact O-N 3.09Å; D105-K108 PolarHBondContact OD1-N 3.3Å; D105-K108 VanDerWaalsContact OD1-N 3.13Å; D105-K108 WeakPolarHBondContact OD2-CE 3.23Å; D105-K108 IonicContact OD2-NZ 2.7Å; K108-E111 PolarHBondContact O-N 3.09Å; K108-L112 WeakPolarHBondContact O-CB 3.27Å; K108-L112 PolarHBondContact O-N 3.48Å |
| 109 | S | 98.3 | Very high | 97.7 | Very high | 4 Ų | 4 | 42.6 Ų | 42.6 | 3% | 0.028 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -62.5 | -48.4 | 179.6 | -64.6 | 0 | 0 | 0 | 0 | 111.8 | T102 L103 D105 R106 L112 I113 | T102-S109 PolarHBondContact O-OG 2.9Å; L103-S109 WeakPolarHBondContact CA-OG 3.45Å; D105-S109 WeakPolarHBondContact O-CB 3.42Å; D105-S109 PolarHBondContact O-N 3.15Å; D105-S109 PolarHBondContact O-OG 3.03Å; R106-S109 PolarHBondContact O-N 3.39Å; S109-L112 PolarHBondContact O-N 3.36Å; S109-I113 WeakPolarHBondContact O-CD1 3.32Å; S109-I113 VanDerWaalsContact O-CG1 3.32Å; S109-I113 WeakPolarHBondContact O-CG1 3.45Å; S109-I113 PolarHBondContact O-N 2.83Å |
| 110 | Y | 98.4 | Very high | 97.7 | Very high | 4 Ų | 4 | 44.4 Ų | 44.4 | 2% | 0.016 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -68.4 | -37.1 | 179.7 | -63.3 | -13.8 | 0 | 0 | 0 | 111.9 | R106 L112 I113 R114 F130 K157 V186 I294 | R106-Y110 HydrophobicContact CB-CE2 4.23Å; R106-Y110 WeakPolarHBondContact O-CB 3.41Å; R106-Y110 PolarHBondContact O-N 2.95Å; Y110-L112 VanDerWaalsContact C-N 3.32Å; Y110-L112 PolarHBondContact O-N 3.44Å; Y110-I113 HydrophobicContact CD1-CD1 4.37Å; Y110-I113 PolarHBondContact O-N 3.49Å; Y110-R114 WeakPolarHBondContact O-CB 3.28Å; Y110-R114 PolarHBondContact O-N 3.32Å; Y110-F130 VanDerWaalsContact C-CZ 3.43Å; Y110-F130 VanDerWaalsContact CB-CZ 3.49Å; Y110-F130 HydrophobicContact CD2-CB 4.44Å; Y110-F130 AromaticContact CD2-CD2 3.96Å; Y110-F130 HydrophobicContact CD2-CD2 3.96Å; Y110-F130 HydrophobicContact CD2-CE2 4.48Å; Y110-F130 HydrophobicContact CD2-CG 4.07Å; Y110-F130 HydrophobicContact CG-CD2 4.44Å; Y110-K157 HydrophobicContact CE2-CD 4.48Å; Y110-K157 VanDerWaalsContact OH-CD 3.3Å; Y110-K157 WeakPolarHBondContact OH-CD 3.44Å; Y110-K157 PolarHBondContact OH-NZ 3.35Å; Y110-V186 HydrophobicContact CD2-CG1 3.76Å; Y110-V186 HydrophobicContact CE2-CG1 3.76Å; Y110-I294 PolarHBondContact OH-O 3Å |
| 111 | E | 98.4 | Very high | 97.6 | Very high | 56 Ų | 56 | 52.5 Ų | 52.5 | 26% | 0.262 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -65.8 | -38 | 176.1 | 179.8 | 55.9 | -164.1 | 0 | 0 | 111.9 | S107 K108 R114 K115 F130 | S107-E111 WeakPolarHBondContact O-CB 3.22Å; S107-E111 PolarHBondContact O-N 3.44Å; K108-E111 PolarHBondContact O-N 3.09Å; E111-R114 PolarHBondContact O-N 3.36Å; E111-R114 IonicContact OE1-CZ 2.76Å; E111-R114 IonicContact OE1-NE 3.77Å; E111-R114 IonicContact OE1-NH2 3.81Å; E111-R114 PolarHBondContact OE1-NH2 2.96Å; E111-R114 IonicContact OE2-CZ 3.72Å; E111-R114 IonicContact OE2-NE 3.54Å; E111-R114 PolarHBondContact OE2-NE 2.96Å; E111-R114 IonicContact OE2-NH2 2.81Å; E111-R114 PolarHBondContact OE2-NH2 3.2Å; E111-K115 WeakPolarHBondContact O-CG 3.3Å; E111-K115 PolarHBondContact O-N 3.37Å; E111-K115 WeakPolarHBondContact OE1-CE 3.21Å; E111-F130 HydrophobicContact CB-CZ 3.95Å |
| 112 | L | 97.8 | Very high | 97.7 | Very high | 31 Ų | 31 | 49.1 Ų | 49.1 | 16% | 0.162 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -65.8 | -45.4 | 174.2 | -179.9 | 63.6 | 0 | 0 | 0 | 112 | T102 K108 S109 Y110 R114 K115 I116 L273 | T102-L112 HydrophobicContact CG2-CD2 4.16Å; K108-L112 WeakPolarHBondContact O-CB 3.27Å; K108-L112 PolarHBondContact O-N 3.48Å; S109-L112 PolarHBondContact O-N 3.36Å; Y110-L112 VanDerWaalsContact C-N 3.32Å; Y110-L112 PolarHBondContact O-N 3.44Å; L112-R114 VanDerWaalsContact C-N 3.33Å; L112-R114 PolarHBondContact O-N 2.98Å; L112-K115 PolarHBondContact O-N 3Å; L112-I116 HydrophobicContact CD1-CD1 4.12Å; L112-I116 HydrophobicContact CD1-CG1 4.35Å; L112-I116 HydrophobicContact CD2-CD1 4.49Å; L112-I116 HydrophobicContact CG-CD1 3.87Å; L112-I116 WeakPolarHBondContact O-CG1 3.37Å; L112-I116 PolarHBondContact O-N 3.24Å; L112-L273 HydrophobicContact CD2-CD1 3.86Å; L112-L273 HydrophobicContact CD2-CD2 3.12Å; L112-L273 HydrophobicContact CD2-CG 3.36Å |
| 113 | I | 98.2 | Very high | 97.7 | Very high | 7 Ų | 7 | 53.5 Ų | 53.5 | 4% | 0.036 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -56.6 | -50.1 | 175.3 | -72.2 | 161.8 | 0 | 0 | 0 | 109.6 | S109 Y110 K115 I116 E117 L269 V293 I296 | S109-I113 WeakPolarHBondContact O-CD1 3.32Å; S109-I113 VanDerWaalsContact O-CG1 3.32Å; S109-I113 WeakPolarHBondContact O-CG1 3.45Å; S109-I113 PolarHBondContact O-N 2.83Å; Y110-I113 HydrophobicContact CD1-CD1 4.37Å; Y110-I113 PolarHBondContact O-N 3.49Å; I113-K115 VanDerWaalsContact C-N 3.3Å; I113-K115 PolarHBondContact O-N 3.32Å; I113-I116 WeakPolarHBondContact O-CB 3.14Å; I113-I116 PolarHBondContact O-N 3.46Å; I113-E117 HydrophobicContact CG2-CG 4.11Å; I113-E117 WeakPolarHBondContact CG2-OE1 3.34Å; I113-E117 VanDerWaalsContact O-CG 3.3Å; I113-E117 WeakPolarHBondContact O-CG 3.4Å; I113-E117 PolarHBondContact O-N 3.4Å; I113-L269 HydrophobicContact CG1-CD2 4.12Å; I113-V293 HydrophobicContact CD1-CG1 3.79Å; I113-V293 HydrophobicContact CG2-CB 4.1Å; I113-V293 HydrophobicContact CG2-CG1 4.47Å; I113-I296 HydrophobicContact CD1-CB 4.24Å; I113-I296 HydrophobicContact CD1-CG2 3.8Å |
| 114 | R | 98.3 | Very high | 97.8 | Very high | 103 Ų | 103 | 56.8 Ų | 56.8 | 39% | 0.389 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -55.5 | -42.6 | 177.7 | -170.3 | -169.2 | 72.5 | 77.4 | 0.9 | 112.5 | Y110 E111 L112 A118 F130 | Y110-R114 WeakPolarHBondContact O-CB 3.28Å; Y110-R114 PolarHBondContact O-N 3.32Å; E111-R114 PolarHBondContact O-N 3.36Å; E111-R114 IonicContact OE1-CZ 2.76Å; E111-R114 IonicContact OE1-NE 3.77Å; E111-R114 IonicContact OE1-NH2 3.81Å; E111-R114 PolarHBondContact OE1-NH2 2.96Å; E111-R114 IonicContact OE2-CZ 3.72Å; E111-R114 IonicContact OE2-NE 3.54Å; E111-R114 PolarHBondContact OE2-NE 2.96Å; E111-R114 IonicContact OE2-NH2 2.81Å; E111-R114 PolarHBondContact OE2-NH2 3.2Å; L112-R114 VanDerWaalsContact C-N 3.33Å; L112-R114 PolarHBondContact O-N 2.98Å; R114-A118 VanDerWaalsContact O-CB 3.29Å; R114-A118 WeakPolarHBondContact O-CB 3.3Å; R114-A118 PolarHBondContact O-N 3.26Å; R114-F130 HydrophobicContact CB-CE1 4.33Å |
| 115 | K | 98.3 | Very high | 97.9 | Very high | 109 Ų | 109 | 56.9 Ų | 56.9 | 47% | 0.474 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -66.5 | -39.8 | 176.2 | -73.5 | 178.7 | -176.4 | -176 | 0 | 112.4 | E111 L112 I113 Y119 | E111-K115 WeakPolarHBondContact O-CG 3.3Å; E111-K115 PolarHBondContact O-N 3.37Å; E111-K115 WeakPolarHBondContact OE1-CE 3.21Å; L112-K115 PolarHBondContact O-N 3Å; I113-K115 VanDerWaalsContact C-N 3.3Å; I113-K115 PolarHBondContact O-N 3.32Å; K115-Y119 WeakPolarHBondContact O-CB 3.32Å; K115-Y119 PolarHBondContact O-N 3.07Å |
| 116 | I | 97.3 | Very high | 97.9 | Very high | 14 Ų | 14 | 57 Ų | 57 | 7% | 0.072 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -65.5 | -47.3 | 176.9 | -72.7 | 167.7 | 0 | 0 | 0 | 110.4 | L112 I113 A118 Y119 M120 A268 L269 A272 | L112-I116 HydrophobicContact CD1-CD1 4.12Å; L112-I116 HydrophobicContact CD1-CG1 4.35Å; L112-I116 HydrophobicContact CD2-CD1 4.49Å; L112-I116 HydrophobicContact CG-CD1 3.87Å; L112-I116 WeakPolarHBondContact O-CG1 3.37Å; L112-I116 PolarHBondContact O-N 3.24Å; I113-I116 WeakPolarHBondContact O-CB 3.14Å; I113-I116 PolarHBondContact O-N 3.46Å; I116-A118 VanDerWaalsContact C-N 3.34Å; I116-A118 PolarHBondContact O-N 3.45Å; I116-Y119 WeakPolarHBondContact O-CB 3.42Å; I116-Y119 PolarHBondContact O-N 2.67Å; I116-Y119 VanDerWaalsContact O-N 3.09Å; I116-M120 HydrophobicContact CG2-CG 4.38Å; I116-M120 HydrophobicContact CG2-SD 3.74Å; I116-M120 VanDerWaalsContact O-CG 3.3Å; I116-M120 WeakPolarHBondContact O-CG 3.45Å; I116-M120 PolarHBondContact O-N 3.4Å; I116-A268 HydrophobicContact CG2-CB 3.53Å; I116-L269 HydrophobicContact CD1-CD2 3.63Å; I116-L269 HydrophobicContact CD1-CG 4.26Å; I116-A272 HydrophobicContact CD1-CB 3.73Å; I116-A272 HydrophobicContact CG1-CB 4.21Å |
| 117 | E | 97.6 | Very high | 97.9 | Very high | 15 Ų | 15 | 58.5 Ų | 58.5 | 7% | 0.07 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -62.1 | -42.3 | 178.5 | -66.8 | 177.3 | 174.6 | 0 | 0 | 111.3 | I113 Y119 M120 E121 I125 S127 L265 | I113-E117 HydrophobicContact CG2-CG 4.11Å; I113-E117 WeakPolarHBondContact CG2-OE1 3.34Å; I113-E117 VanDerWaalsContact O-CG 3.3Å; I113-E117 WeakPolarHBondContact O-CG 3.4Å; I113-E117 PolarHBondContact O-N 3.4Å; E117-Y119 VanDerWaalsContact C-N 3.28Å; E117-Y119 PolarHBondContact O-N 3.18Å; E117-M120 PolarHBondContact O-N 2.85Å; E117-E121 PolarHBondContact O-N 3.04Å; E117-I125 HydrophobicContact CB-CG2 4.32Å; E117-I125 VanDerWaalsContact CD-CG2 3.44Å; E117-I125 HydrophobicContact CG-CG2 3.68Å; E117-I125 WeakPolarHBondContact OE1-CG2 3.46Å; E117-S127 WeakPolarHBondContact OE2-CA 3.06Å; E117-S127 WeakPolarHBondContact OE2-CB 3.37Å; E117-S127 PolarHBondContact OE2-N 3.32Å; E117-L265 HydrophobicContact CG-CD2 4.33Å |
| 118 | A | 97.4 | Very high | 97.9 | Very high | 60 Ų | 60 | 57.7 Ų | 57.7 | 50% | 0.496 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -63.8 | -31.3 | 173.9 | 0 | 0 | 0 | 0 | 0 | 113.1 | R114 I116 E121 | R114-A118 VanDerWaalsContact O-CB 3.29Å; R114-A118 WeakPolarHBondContact O-CB 3.3Å; R114-A118 PolarHBondContact O-N 3.26Å; I116-A118 VanDerWaalsContact C-N 3.34Å; I116-A118 PolarHBondContact O-N 3.45Å; A118-E121 VanDerWaalsContact O-CG 3.25Å; A118-E121 WeakPolarHBondContact O-CG 3.5Å |
| 119 | Y | 96.7 | Very high | 98 | Very high | 167 Ų | 167 | 54.2 Ų | 54.2 | 66% | 0.655 | 27% | 0.267 | S | S | * | . | H | α-helix | trans | -75.5 | -32.9 | 174.2 | 173.8 | -101 | 0 | 0 | 0 | 112.6 | K115 I116 E117 L341 | K115-Y119 WeakPolarHBondContact O-CB 3.32Å; K115-Y119 PolarHBondContact O-N 3.07Å; I116-Y119 WeakPolarHBondContact O-CB 3.42Å; I116-Y119 PolarHBondContact O-N 2.67Å; I116-Y119 VanDerWaalsContact O-N 3.09Å; E117-Y119 VanDerWaalsContact C-N 3.28Å; E117-Y119 PolarHBondContact O-N 3.18Å; Y119-L341 HydrophobicContact CD2-CD2 4.24Å; Y119-L341 HydrophobicContact CE2-CD2 4.46Å; Y119-L341 HydrophobicContact CG-CD2 4.32Å |
| 120 | M | 96.3 | Very high | 98 | Very high | 41 Ų | 41 | 55.2 Ų | 55.2 | 20% | 0.202 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -72.1 | -30.5 | 177.8 | -71.3 | 171.9 | 57.1 | 0 | 0 | 112.3 | I116 E117 D122 I125 E264 L265 A268 | I116-M120 HydrophobicContact CG2-CG 4.38Å; I116-M120 HydrophobicContact CG2-SD 3.74Å; I116-M120 VanDerWaalsContact O-CG 3.3Å; I116-M120 WeakPolarHBondContact O-CG 3.45Å; I116-M120 PolarHBondContact O-N 3.4Å; E117-M120 PolarHBondContact O-N 2.85Å; M120-D122 PolarHBondContact O-N 3.48Å; M120-D122 VanDerWaalsContact O-N 3.15Å; M120-I125 HydrophobicContact CE-CD1 3.5Å; M120-I125 HydrophobicContact SD-CD1 4.49Å; M120-E264 HydrophobicContact CE-CB 3.57Å; M120-L265 HydrophobicContact CE-CD2 4.26Å; M120-L265 HydrophobicContact CE-CG 4.27Å; M120-L265 HydrophobicContact SD-CD2 4.08Å; M120-A268 HydrophobicContact SD-CB 3.93Å |
| 121 | E | 97.2 | Very high | 97.9 | Very high | 175 Ų | 175 | 56 Ų | 56 | 82% | 0.818 | 27% | 0.274 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 51 | 33.9 | -177.8 | -62.5 | -171.1 | 156.4 | 0 | 0 | 113.4 | E117 A118 | E117-E121 PolarHBondContact O-N 3.04Å; A118-E121 VanDerWaalsContact O-CG 3.25Å; A118-E121 WeakPolarHBondContact O-CG 3.5Å |
| 122 | D | 98.1 | Very high | 97.9 | Very high | 20 Ų | 20 | 55.9 Ų | 55.9 | 11% | 0.107 | 27% | 0.274 | C | S | . | . | trans | -87.1 | 115.4 | 178 | -171.4 | -23.8 | 0 | 0 | 0 | 110.1 | M120 R124 I125 | M120-D122 PolarHBondContact O-N 3.48Å; M120-D122 VanDerWaalsContact O-N 3.15Å; D122-R124 PolarHBondContact O-N 3.07Å; D122-R124 VanDerWaalsContact O-N 3.13Å; D122-R124 WeakPolarHBondContact OD1-CB 3.46Å; D122-R124 WeakPolarHBondContact OD1-CG 3.46Å; D122-R124 IonicContact OD1-CZ 3.05Å; D122-R124 PolarHBondContact OD1-N 3.27Å; D122-R124 IonicContact OD1-NE 3.62Å; D122-R124 PolarHBondContact OD1-NE 3.27Å; D122-R124 IonicContact OD1-NH2 2.69Å; D122-R124 IonicContact OD2-CZ 3.39Å; D122-R124 IonicContact OD2-NE 3.07Å; D122-R124 PolarHBondContact OD2-NE 3.34Å; D122-R124 VanDerWaalsContact OD2-NE 3.17Å; D122-R124 IonicContact OD2-NH2 3.79Å; D122-R124 PolarHBondContact OD2-NH2 2.92Å; D122-I125 HydrophobicContact CB-CD1 3.81Å; D122-I125 HydrophobicContact CB-CG1 4.02Å; D122-I125 PolarHBondContact O-N 3.43Å; D122-I125 VanDerWaalsContact O-N 3.07Å | ||
| 123 | D | 98.1 | Very high | 97.8 | Very high | 131 Ų | 131 | 54.9 Ų | 54.9 | 70% | 0.701 | 27% | 0.269 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.8 | -13.4 | -178.8 | 68.7 | -6.8 | 0 | 0 | 0 | 113.6 | I125 Q290 | D123-I125 VanDerWaalsContact C-N 3.26Å; D123-I125 PolarHBondContact O-N 3.07Å; D123-Q290 WeakPolarHBondContact O-CG 3.36Å; D123-Q290 PolarHBondContact O-NE2 3.43Å |
| 124 | R | 98.6 | Very high | 97.6 | Very high | 76 Ų | 76 | 59.2 Ų | 59.2 | 29% | 0.287 | 30% | 0.295 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -81.9 | -3.7 | 175.3 | -54.5 | 169.2 | -67.2 | -174.8 | 2.6 | 112.4 | D122 E260 V261 E264 Q290 H291 | D122-R124 PolarHBondContact O-N 3.07Å; D122-R124 VanDerWaalsContact O-N 3.13Å; D122-R124 WeakPolarHBondContact OD1-CB 3.46Å; D122-R124 WeakPolarHBondContact OD1-CG 3.46Å; D122-R124 IonicContact OD1-CZ 3.05Å; D122-R124 PolarHBondContact OD1-N 3.27Å; D122-R124 IonicContact OD1-NE 3.62Å; D122-R124 PolarHBondContact OD1-NE 3.27Å; D122-R124 IonicContact OD1-NH2 2.69Å; D122-R124 IonicContact OD2-CZ 3.39Å; D122-R124 IonicContact OD2-NE 3.07Å; D122-R124 PolarHBondContact OD2-NE 3.34Å; D122-R124 VanDerWaalsContact OD2-NE 3.17Å; D122-R124 IonicContact OD2-NH2 3.79Å; D122-R124 PolarHBondContact OD2-NH2 2.92Å; R124-E260 IonicContact CZ-OE2 3.55Å; R124-E260 IonicContact NH1-OE2 3.97Å; R124-E260 PolarHBondContact NH1-OE2 2.91Å; R124-E260 IonicContact NH2-OE2 3.55Å; R124-V261 HydrophobicContact CB-CG2 3.9Å; R124-E264 IonicContact NH2-OE2 2.71Å; R124-Q290 CarbonylContact O-C 3.58Å; R124-Q290 WeakPolarHBondContact O-CA 3.4Å; R124-Q290 WeakPolarHBondContact O-CB 3.44Å; R124-H291 PolarHBondContact O-N 3.16Å; R124-H291 PolarHBondContact O-ND1 2.88Å |
| 125 | I | 98.7 | Very high | 97.3 | Very high | 13 Ų | 13 | 58.4 Ų | 58.4 | 7% | 0.067 | 31% | 0.305 | C | S | . | . | B | Isolated β-bridge | trans | -117 | 142.7 | -177.6 | -50.2 | 176.3 | 0 | 0 | 0 | 109.5 | E117 M120 D122 D123 V261 L265 Q290 H291 | E117-I125 HydrophobicContact CB-CG2 4.32Å; E117-I125 VanDerWaalsContact CD-CG2 3.44Å; E117-I125 HydrophobicContact CG-CG2 3.68Å; E117-I125 WeakPolarHBondContact OE1-CG2 3.46Å; M120-I125 HydrophobicContact CE-CD1 3.5Å; M120-I125 HydrophobicContact SD-CD1 4.49Å; D122-I125 HydrophobicContact CB-CD1 3.81Å; D122-I125 HydrophobicContact CB-CG1 4.02Å; D122-I125 PolarHBondContact O-N 3.43Å; D122-I125 VanDerWaalsContact O-N 3.07Å; D123-I125 VanDerWaalsContact C-N 3.26Å; D123-I125 PolarHBondContact O-N 3.07Å; I125-V261 HydrophobicContact CD1-CG1 3.78Å; I125-V261 HydrophobicContact CG1-CG1 3.64Å; I125-L265 HydrophobicContact CD1-CD1 4.27Å; I125-L265 HydrophobicContact CD1-CD2 3.99Å; I125-L265 HydrophobicContact CD1-CG 3.97Å; I125-Q290 PolarHBondContact O-NE2 3.36Å; I125-H291 WeakPolarHBondContact CA-O 3.46Å |
| 126 | C | 98.3 | Very high | 97 | Very high | 23 Ų | 23 | 59.4 Ų | 59.4 | 16% | 0.155 | 32% | 0.316 | C | S | . | . | trans | -136.9 | 131.6 | 172 | 62.9 | 0 | 0 | 0 | 0 | 111.4 | P128 Q290 H291 A292 | C126-P128 VanDerWaalsContact O-CD 3.29Å; C126-P128 WeakPolarHBondContact O-CD 3.37Å; C126-Q290 HydrophobicContact CB-CB 4.06Å; C126-H291 PolarHBondContact N-O 2.88Å; C126-A292 WeakPolarHBondContact O-CA 3.22Å | ||
| 127 | S | 98.3 | Very high | 96.6 | Very high | 36 Ų | 36 | 60.6 Ų | 60.6 | 25% | 0.252 | 32% | 0.324 | S | S | . | . | trans | -82.9 | 111.8 | 166.3 | 178.6 | 0 | 0 | 0 | 0 | 108.4 | E117 | E117-S127 WeakPolarHBondContact OE2-CA 3.06Å; E117-S127 WeakPolarHBondContact OE2-CB 3.37Å; E117-S127 PolarHBondContact OE2-N 3.32Å | ||
| 128 | P | 98.3 | Very high | 96.3 | Very high | 3 Ų | 3 | 62 Ų | 62 | 2% | 0.019 | 34% | 0.343 | C | S | . | . | trans | -58.3 | 132.3 | 171.7 | -21 | 34.3 | 0 | 0 | 0 | 109.3 | C126 F130 Q188 I191 A292 I294 | C126-P128 VanDerWaalsContact O-CD 3.29Å; C126-P128 WeakPolarHBondContact O-CD 3.37Å; P128-F130 PolarHBondContact O-N 3.3Å; P128-Q188 HydrophobicContact CB-CG 3.78Å; P128-I191 HydrophobicContact CB-CD1 4.28Å; P128-I191 HydrophobicContact CB-CG1 4.08Å; P128-I191 HydrophobicContact CG-CG1 3.93Å; P128-A292 HydrophobicContact CG-CB 3.77Å; P128-I294 HydrophobicContact CG-CG2 4.47Å | ||
| 129 | P | 98.6 | Very high | 95.8 | Very high | 51 Ų | 51 | 67 Ų | 67 | 33% | 0.331 | 36% | 0.362 | S | S | . | . | trans | -51.7 | 134.1 | 174.9 | -28.8 | 35.5 | 0 | 0 | 0 | 110.7 | G149 L150 Q188 N189 | P129-G149 WeakPolarHBondContact CB-O 3.34Å; P129-L150 HydrophobicContact CB-CD2 4.24Å; P129-L150 WeakPolarHBondContact O-CD1 3.41Å; P129-Q188 CarbonylContact O-C 3.49Å; P129-Q188 WeakPolarHBondContact O-CA 3.47Å; P129-N189 WeakPolarHBondContact CG-ND2 3.45Å; P129-N189 PolarHBondContact O-N 3.22Å | ||
| 130 | F | 98.6 | Very high | 95.6 | Very high | 25 Ų | 25 | 64 Ų | 64 | 11% | 0.11 | 36% | 0.357 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.9 | 158.4 | -179.5 | 78.5 | -84.1 | 0 | 0 | 0 | 110.3 | Y110 E111 R114 P128 V186 V187 Q188 | Y110-F130 VanDerWaalsContact C-CZ 3.43Å; Y110-F130 VanDerWaalsContact CB-CZ 3.49Å; Y110-F130 HydrophobicContact CD2-CB 4.44Å; Y110-F130 AromaticContact CD2-CD2 3.96Å; Y110-F130 HydrophobicContact CD2-CD2 3.96Å; Y110-F130 HydrophobicContact CD2-CE2 4.48Å; Y110-F130 HydrophobicContact CD2-CG 4.07Å; Y110-F130 HydrophobicContact CG-CD2 4.44Å; E111-F130 HydrophobicContact CB-CZ 3.95Å; R114-F130 HydrophobicContact CB-CE1 4.33Å; P128-F130 PolarHBondContact O-N 3.3Å; F130-V186 HydrophobicContact CB-CG1 4.44Å; F130-V186 HydrophobicContact CD2-CG1 4.09Å; F130-V187 CarbonylContact C-O 3.47Å; F130-V187 WeakPolarHBondContact CA-O 3.21Å; F130-V187 VanDerWaalsContact CB-O 3.29Å; F130-V187 WeakPolarHBondContact CB-O 3.35Å; F130-Q188 HydrophobicContact CB-CB 3.9Å; F130-Q188 HydrophobicContact CB-CG 4.05Å |
| 131 | M | 97.8 | Very high | 95.5 | Very high | 20 Ų | 20 | 62.8 Ų | 62.8 | 10% | 0.099 | 35% | 0.352 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -154.4 | 159.6 | 169.9 | 63.4 | 170 | -61 | 0 | 0 | 111.5 | L133 L144 L145 N148 L150 V186 V187 | M131-L133 HydrophobicContact CE-CD2 3.5Å; M131-L133 HydrophobicContact CE-CG 4.39Å; M131-L133 HydrophobicContact SD-CD2 4.1Å; M131-L144 HydrophobicContact CE-CD1 4.17Å; M131-L144 HydrophobicContact CE-CD2 3.69Å; M131-L144 HydrophobicContact CE-CG 3.65Å; M131-L144 HydrophobicContact SD-CG 4.16Å; M131-L145 HydrophobicContact SD-CD2 4.08Å; M131-N148 HydrophobicContact CB-CB 4.41Å; M131-N148 HydrophobicContact SD-CB 3.98Å; M131-L150 HydrophobicContact CB-CD2 4.46Å; M131-L150 HydrophobicContact CG-CD2 3.97Å; M131-L150 HydrophobicContact CG-CG 4.32Å; M131-L150 HydrophobicContact SD-CD2 4.46Å; M131-V186 WeakPolarHBondContact O-CA 3.26Å; M131-V187 HydrophobicContact CG-CG2 3.43Å; M131-V187 VanDerWaalsContact CG-CG2 3.43Å; M131-V187 PolarHBondContact N-O 3.2Å; M131-V187 PolarHBondContact O-N 3.19Å; M131-V187 HydrophobicContact SD-CG2 4.45Å |
| 132 | E | 97.9 | Very high | 95.3 | Very high | 54 Ų | 54 | 56.1 Ų | 56.1 | 25% | 0.252 | 32% | 0.321 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.7 | 130.5 | 169.9 | -176.1 | 177.6 | 172.3 | 0 | 0 | 110.3 | S107 T134 R159 C185 | S107-E132 WeakPolarHBondContact CB-OE2 3.11Å; S107-E132 PolarHBondContact OG-OE2 2.9Å; S107-E132 VanDerWaalsContact OG-OE2 3.06Å; E132-T134 HydrophobicContact CG-CG2 4.09Å; E132-R159 WeakPolarHBondContact OE1-CD 3.22Å; E132-R159 IonicContact OE1-NE 3.05Å; E132-R159 IonicContact OE1-NH1 3.43Å; E132-R159 PolarHBondContact OE1-NH1 3.4Å; E132-C185 WeakPolarHBondContact CA-O 3.28Å |
| 133 | L | 95.8 | Very high | 95.1 | Very high | 10 Ų | 10 | 63.5 Ų | 63.5 | 5% | 0.052 | 35% | 0.347 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.8 | 123 | 168.8 | -65 | 176.5 | 0 | 0 | 0 | 108.7 | M131 L144 I181 P184 C185 V187 | M131-L133 HydrophobicContact CE-CD2 3.5Å; M131-L133 HydrophobicContact CE-CG 4.39Å; M131-L133 HydrophobicContact SD-CD2 4.1Å; L133-L144 HydrophobicContact CD2-CD2 4.11Å; L133-I181 HydrophobicContact CD1-CD1 3.95Å; L133-I181 HydrophobicContact CD1-CG2 3.93Å; L133-P184 WeakPolarHBondContact O-CA 3.25Å; L133-C185 PolarHBondContact N-O 2.72Å; L133-C185 PolarHBondContact O-N 2.86Å; L133-V187 HydrophobicContact CD1-CG1 3.69Å; L133-V187 HydrophobicContact CD1-CG2 4.11Å; L133-V187 HydrophobicContact CG-CG1 4.4Å; L133-V187 HydrophobicContact CG-CG2 4.22Å |
| 134 | T | 94.3 | Very high | 95 | Very high | 97 Ų | 97 | 60.9 Ų | 60.9 | 60% | 0.595 | 33% | 0.333 | S | S | * | . | trans | -105.9 | -17.8 | -177.9 | 53.2 | 0 | 0 | 0 | 0 | 113.6 | E132 | E132-T134 HydrophobicContact CG-CG2 4.09Š| ||
| 135 | S | 92.2 | Very high | 94.9 | Very high | 86 Ų | 86 | 57.5 Ų | 57.5 | 60% | 0.601 | 32% | 0.32 | S | S | * | . | S | Bend | trans | -120 | 152.7 | -177.4 | -61.3 | 0 | 0 | 0 | 0 | 111 | P183 | S135-P183 WeakPolarHBondContact O-CG 3.38Š|
| 136 | L | 90.8 | Very high | 94.7 | Very high | 131 Ų | 131 | 63.3 Ų | 63.3 | 69% | 0.686 | 35% | 0.348 | S | S | * | . | trans | -56.9 | 148 | 174.7 | -70.2 | 170.3 | 0 | 0 | 0 | 110.5 | P183 | L136-P183 HydrophobicContact CD2-CG 4.36Š| ||
| 137 | C | 89.6 | Confident | 94.7 | Very high | 38 Ų | 38 | 70.8 Ų | 70.8 | 26% | 0.257 | 38% | 0.377 | S | S | . | . | trans | -66.7 | 142.1 | -178.4 | -60.1 | 0 | 0 | 0 | 0 | 111.4 | T141 L178 | C137-T141 VanDerWaalsContact CA-OG1 3.28Å; C137-T141 WeakPolarHBondContact CA-OG1 3.4Å; C137-T141 HydrophobicContact CB-CG2 4.07Å; C137-L178 HydrophobicContact CB-CB 4.08Å; C137-L178 PolarHBondContact SG-O 3.44Å; C137-L178 VanDerWaalsContact SG-O 3.42Å | ||
| 138 | G | 90 | Very high | 94.6 | Very high | 45 Ų | 45 | 72.5 Ų | 72.5 | 46% | 0.464 | 38% | 0.384 | S | S | . | . | trans | -152.5 | -162.4 | 177.4 | 0 | 0 | 0 | 0 | 0 | 111.1 | D140 T141 | G138-D140 VanDerWaalsContact C-N 3.25Å; G138-D140 PolarHBondContact O-N 2.96Å; G138-D140 VanDerWaalsContact O-N 3.16Å; G138-T141 PolarHBondContact N-OG1 3.05Å; G138-T141 WeakPolarHBondContact O-CB 3.42Å; G138-T141 PolarHBondContact O-N 3.39Å; G138-T141 PolarHBondContact O-OG1 2.7Å | ||
| 139 | D | 87.7 | Confident | 94.6 | Very high | 165 Ų | 165 | 74.3 Ų | 74.3 | 88% | 0.882 | 40% | 0.402 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.8 | -33 | -169.9 | -63.6 | -14.9 | 0 | 0 | 0 | 114 | ||
| 140 | D | 91.9 | Very high | 94.5 | Very high | 104 Ų | 104 | 72.3 Ų | 72.3 | 56% | 0.556 | 39% | 0.389 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -88.2 | -6.6 | -179.2 | -73.5 | -43.7 | 0 | 0 | 0 | 114.1 | G138 M142 R143 L144 | G138-D140 VanDerWaalsContact C-N 3.25Å; G138-D140 PolarHBondContact O-N 2.96Å; G138-D140 VanDerWaalsContact O-N 3.16Å; D140-M142 VanDerWaalsContact C-N 3.32Å; D140-M142 PolarHBondContact O-N 3.25Å; D140-R143 PolarHBondContact O-N 2.82Å; D140-R143 IonicContact OD1-NH1 3.81Å; D140-R143 PolarHBondContact OD1-NH1 3.19Å; D140-L144 PolarHBondContact O-N 3.5Å |
| 141 | T | 94.1 | Very high | 94.4 | Very high | 16 Ų | 16 | 73.8 Ų | 73.8 | 10% | 0.098 | 41% | 0.406 | C | S | . | . | H | α-helix | trans | -59.7 | -42.4 | -175.6 | -63 | 0 | 0 | 0 | 0 | 111.9 | C137 G138 R143 L144 L145 L178 | C137-T141 VanDerWaalsContact CA-OG1 3.28Å; C137-T141 WeakPolarHBondContact CA-OG1 3.4Å; C137-T141 HydrophobicContact CB-CG2 4.07Å; G138-T141 PolarHBondContact N-OG1 3.05Å; G138-T141 WeakPolarHBondContact O-CB 3.42Å; G138-T141 PolarHBondContact O-N 3.39Å; G138-T141 PolarHBondContact O-OG1 2.7Å; T141-R143 PolarHBondContact O-N 3.36Å; T141-L144 WeakPolarHBondContact O-CB 3.35Å; T141-L144 PolarHBondContact O-N 2.99Å; T141-L145 HydrophobicContact CG2-CD1 3.99Å; T141-L145 HydrophobicContact CG2-CG 4.28Å; T141-L145 VanDerWaalsContact O-CG 3.3Å; T141-L145 WeakPolarHBondContact O-CG 3.35Å; T141-L145 PolarHBondContact O-N 2.69Å; T141-L178 HydrophobicContact CG2-CD1 4.05Å; T141-L178 HydrophobicContact CG2-CD2 4.28Å |
| 142 | M | 94.3 | Very high | 94.4 | Very high | 35 Ų | 35 | 74.1 Ų | 74.1 | 17% | 0.172 | 41% | 0.407 | C | S | . | . | H | α-helix | trans | -61.1 | -44.4 | 178.7 | -76.5 | -56.7 | -58.6 | 0 | 0 | 112.5 | D140 L144 L145 E146 F152 Q175 L178 | D140-M142 VanDerWaalsContact C-N 3.32Å; D140-M142 PolarHBondContact O-N 3.25Å; M142-L144 VanDerWaalsContact C-N 3.27Å; M142-L144 PolarHBondContact O-N 3.45Å; M142-L145 PolarHBondContact O-N 3.28Å; M142-L145 HydrophobicContact SD-CD1 4.23Å; M142-E146 PolarHBondContact O-N 3.47Å; M142-F152 HydrophobicContact CE-CE2 3.75Å; M142-F152 HydrophobicContact CE-CZ 4.12Å; M142-F152 HydrophobicContact SD-CE2 4.09Å; M142-F152 HydrophobicContact SD-CZ 3.86Å; M142-Q175 HydrophobicContact CG-CG 3.77Å; M142-Q175 HydrophobicContact SD-CB 4.13Å; M142-Q175 HydrophobicContact SD-CG 3.92Å; M142-L178 HydrophobicContact CG-CD1 3.99Å; M142-L178 HydrophobicContact SD-CD1 3.73Å; M142-L178 HydrophobicContact SD-CG 4.49Å |
| 143 | R | 94.5 | Very high | 94.4 | Very high | 175 Ų | 175 | 72 Ų | 72 | 66% | 0.66 | 40% | 0.398 | S | S | * | . | H | α-helix | trans | -62.4 | -38.4 | 177 | -67.4 | 177.8 | 178 | 155.6 | -4 | 111.6 | D140 T141 K147 | D140-R143 PolarHBondContact O-N 2.82Å; D140-R143 IonicContact OD1-NH1 3.81Å; D140-R143 PolarHBondContact OD1-NH1 3.19Å; T141-R143 PolarHBondContact O-N 3.36Å; R143-K147 VanDerWaalsContact O-CB 3.26Å; R143-K147 WeakPolarHBondContact O-CB 3.3Å; R143-K147 PolarHBondContact O-N 2.85Å |
| 144 | L | 95.4 | Very high | 94.5 | Very high | 76 Ų | 76 | 71.7 Ų | 71.7 | 40% | 0.398 | 40% | 0.396 | S | S | . | . | H | α-helix | trans | -67.1 | -42.1 | 178 | -176.5 | 62.1 | 0 | 0 | 0 | 111.7 | M131 L133 D140 T141 M142 N148 | M131-L144 HydrophobicContact CE-CD1 4.17Å; M131-L144 HydrophobicContact CE-CD2 3.69Å; M131-L144 HydrophobicContact CE-CG 3.65Å; M131-L144 HydrophobicContact SD-CG 4.16Å; L133-L144 HydrophobicContact CD2-CD2 4.11Å; D140-L144 PolarHBondContact O-N 3.5Å; T141-L144 WeakPolarHBondContact O-CB 3.35Å; T141-L144 PolarHBondContact O-N 2.99Å; M142-L144 VanDerWaalsContact C-N 3.27Å; M142-L144 PolarHBondContact O-N 3.45Å; L144-N148 PolarHBondContact O-N 2.99Å; L144-N148 PolarHBondContact O-ND2 3.23Å |
| 145 | L | 95.9 | Very high | 94.7 | Very high | 4 Ų | 4 | 67.7 Ų | 67.7 | 2% | 0.021 | 37% | 0.371 | C | S | . | . | H | α-helix | trans | -61.3 | -52.1 | 175.5 | -69.5 | 170.5 | 0 | 0 | 0 | 111 | M131 T141 M142 K147 N148 G149 L150 F154 L178 V187 | M131-L145 HydrophobicContact SD-CD2 4.08Å; T141-L145 HydrophobicContact CG2-CD1 3.99Å; T141-L145 HydrophobicContact CG2-CG 4.28Å; T141-L145 VanDerWaalsContact O-CG 3.3Å; T141-L145 WeakPolarHBondContact O-CG 3.35Å; T141-L145 PolarHBondContact O-N 2.69Å; M142-L145 PolarHBondContact O-N 3.28Å; M142-L145 HydrophobicContact SD-CD1 4.23Å; L145-K147 VanDerWaalsContact C-N 3.34Å; L145-K147 PolarHBondContact O-N 3.28Å; L145-N148 CarbonylContact O-C 3.54Å; L145-N148 PolarHBondContact O-N 3.01Å; L145-N148 VanDerWaalsContact O-N 3.08Å; L145-G149 PolarHBondContact O-N 3.47Å; L145-L150 HydrophobicContact CB-CB 3.99Å; L145-L150 HydrophobicContact CD2-CB 3.94Å; L145-L150 HydrophobicContact CD2-CG 4.06Å; L145-L150 WeakPolarHBondContact O-CB 3.34Å; L145-L150 PolarHBondContact O-N 3.43Å; L145-F154 HydrophobicContact CD1-CE1 3.89Å; L145-F154 HydrophobicContact CD1-CZ 3.96Å; L145-F154 HydrophobicContact CD2-CE1 4.49Å; L145-L178 HydrophobicContact CD1-CD2 3.76Å; L145-V187 HydrophobicContact CD2-CG2 3.89Å |
| 146 | E | 95.6 | Very high | 95 | Very high | 136 Ų | 136 | 64 Ų | 64 | 64% | 0.636 | 35% | 0.345 | S | S | * | . | H | α-helix | trans | -58.8 | -44 | 179.2 | -76.8 | -179.1 | -178.3 | 0 | 0 | 112.2 | M142 N148 G149 | M142-E146 PolarHBondContact O-N 3.47Å; E146-N148 PolarHBondContact O-N 3.06Å; E146-G149 PolarHBondContact O-N 3.06Å |
| 147 | K | 97.1 | Very high | 95.4 | Very high | 179 Ų | 179 | 58.2 Ų | 58.2 | 78% | 0.778 | 31% | 0.314 | S | S | * | . | H | α-helix | trans | -59.2 | -30 | 178.2 | -177.7 | 179.5 | 176.2 | -174.9 | 0 | 112.8 | R143 L145 | R143-K147 VanDerWaalsContact O-CB 3.26Å; R143-K147 WeakPolarHBondContact O-CB 3.3Å; R143-K147 PolarHBondContact O-N 2.85Å; L145-K147 VanDerWaalsContact C-N 3.34Å; L145-K147 PolarHBondContact O-N 3.28Å |
| 148 | N | 97 | Very high | 95.7 | Very high | 73 Ų | 73 | 58.2 Ų | 58.2 | 39% | 0.39 | 31% | 0.313 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -96 | 9.3 | 178.3 | -69.8 | -79.5 | 0 | 0 | 0 | 113 | M131 L144 L145 E146 L150 | M131-N148 HydrophobicContact CB-CB 4.41Å; M131-N148 HydrophobicContact SD-CB 3.98Å; L144-N148 PolarHBondContact O-N 2.99Å; L144-N148 PolarHBondContact O-ND2 3.23Å; L145-N148 CarbonylContact O-C 3.54Å; L145-N148 PolarHBondContact O-N 3.01Å; L145-N148 VanDerWaalsContact O-N 3.08Å; E146-N148 PolarHBondContact O-N 3.06Å; N148-L150 VanDerWaalsContact C-N 3.31Å; N148-L150 HydrophobicContact CB-CD2 3.82Å; N148-L150 WeakPolarHBondContact O-CD2 3.38Å; N148-L150 PolarHBondContact O-N 2.85Å |
| 149 | G | 97.3 | Very high | 96 | Very high | 40 Ų | 40 | 60.4 Ų | 60.4 | 41% | 0.412 | 31% | 0.307 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 74.5 | 18 | 177.8 | 0 | 0 | 0 | 0 | 0 | 114.4 | P129 L145 E146 N189 | P129-G149 WeakPolarHBondContact CB-O 3.34Å; L145-G149 PolarHBondContact O-N 3.47Å; E146-G149 PolarHBondContact O-N 3.06Å; G149-N189 PolarHBondContact O-ND2 3.5Å; G149-N189 VanDerWaalsContact O-ND2 3.07Å |
| 150 | L | 97.6 | Very high | 96.4 | Very high | 10 Ų | 10 | 55 Ų | 55 | 5% | 0.052 | 28% | 0.28 | C | S | . | . | trans | -79.1 | 136.3 | 175.3 | -78.6 | -67.8 | 0 | 0 | 0 | 109.7 | P129 M131 L145 N148 F154 V187 N189 | P129-L150 HydrophobicContact CB-CD2 4.24Å; P129-L150 WeakPolarHBondContact O-CD1 3.41Å; M131-L150 HydrophobicContact CB-CD2 4.46Å; M131-L150 HydrophobicContact CG-CD2 3.97Å; M131-L150 HydrophobicContact CG-CG 4.32Å; M131-L150 HydrophobicContact SD-CD2 4.46Å; L145-L150 HydrophobicContact CB-CB 3.99Å; L145-L150 HydrophobicContact CD2-CB 3.94Å; L145-L150 HydrophobicContact CD2-CG 4.06Å; L145-L150 WeakPolarHBondContact O-CB 3.34Å; L145-L150 PolarHBondContact O-N 3.43Å; N148-L150 VanDerWaalsContact C-N 3.31Å; N148-L150 HydrophobicContact CB-CD2 3.82Å; N148-L150 WeakPolarHBondContact O-CD2 3.38Å; N148-L150 PolarHBondContact O-N 2.85Å; L150-F154 HydrophobicContact CD1-CB 4.46Å; L150-V187 HydrophobicContact CD1-CG2 4.2Å; L150-V187 HydrophobicContact CG-CG2 4.18Å; L150-N189 VanDerWaalsContact CA-OD1 3.23Å; L150-N189 WeakPolarHBondContact CA-OD1 3.5Å; L150-N189 WeakPolarHBondContact CD1-OD1 3.49Å | ||
| 151 | A | 96.3 | Very high | 96.4 | Very high | 56 Ų | 56 | 50.3 Ų | 50.3 | 46% | 0.463 | 26% | 0.255 | S | S | . | . | trans | -137.8 | 154.2 | 179.8 | 0 | 0 | 0 | 0 | 0 | 110.6 | P153 N189 | A151-P153 CarbonylContact O-C 3.57Å; A151-P153 VanDerWaalsContact O-C 3.28Å; A151-P153 VanDerWaalsContact O-O 3.13Å; A151-N189 PolarHBondContact N-OD1 2.79Å; A151-N189 PolarHBondContact O-OD1 2.88Å | ||
| 152 | F | 97.8 | Very high | 96.2 | Very high | 27 Ų | 27 | 51.4 Ų | 51.4 | 12% | 0.118 | 26% | 0.259 | C | S | . | . | S | Bend | trans | -75.9 | 142.7 | 175.2 | -63.7 | -60.9 | 0 | 0 | 0 | 112 | M142 F154 V172 F173 N174 L178 G221 | M142-F152 HydrophobicContact CE-CE2 3.75Å; M142-F152 HydrophobicContact CE-CZ 4.12Å; M142-F152 HydrophobicContact SD-CE2 4.09Å; M142-F152 HydrophobicContact SD-CZ 3.86Å; F152-F154 AromaticContact CD1-CD1 3.74Å; F152-F154 HydrophobicContact CD1-CD1 3.74Å; F152-F154 AromaticContact CD1-CE1 3.47Å; F152-F154 HydrophobicContact CD1-CE1 3.47Å; F152-F154 VanDerWaalsContact CD1-CE1 3.47Å; F152-F154 HydrophobicContact CD1-CZ 4.29Å; F152-F154 AromaticContact CE1-CD1 3.93Å; F152-F154 HydrophobicContact CE1-CD1 3.93Å; F152-F154 AromaticContact CE1-CE1 3.15Å; F152-F154 HydrophobicContact CE1-CE1 3.15Å; F152-F154 AromaticContact CE1-CZ 3.7Å; F152-F154 HydrophobicContact CE1-CZ 3.7Å; F152-F154 HydrophobicContact CZ-CE1 4.03Å; F152-V172 HydrophobicContact CD1-CG1 4.25Å; F152-V172 HydrophobicContact CE1-CB 4.46Å; F152-V172 HydrophobicContact CE1-CG1 3.7Å; F152-F173 WeakPolarHBondContact CB-O 3.47Å; F152-N174 VanDerWaalsContact CE1-O 3.28Å; F152-N174 WeakPolarHBondContact CE1-O 3.2Å; F152-N174 VanDerWaalsContact CZ-O 3.27Å; F152-N174 WeakPolarHBondContact CZ-O 3.33Å; F152-L178 HydrophobicContact CZ-CD2 4.48Å; F152-G221 CarbonylContact O-C 3.28Å; F152-G221 WeakPolarHBondContact O-CA 3.33Å; F152-G221 PolarHBondContact O-N 2.89Å |
| 153 | P | 98.2 | Very high | 95.8 | Very high | 10 Ų | 10 | 50.5 Ų | 50.5 | 7% | 0.065 | 26% | 0.259 | C | S | . | . | S | Bend | cis | -77.1 | 152.3 | -9.9 | 27.1 | -27.5 | 0 | 0 | 0 | 113 | A151 I171 V172 F173 F190 F218 | A151-P153 CarbonylContact O-C 3.57Å; A151-P153 VanDerWaalsContact O-C 3.28Å; A151-P153 VanDerWaalsContact O-O 3.13Å; P153-I171 HydrophobicContact CB-CG2 4.01Å; P153-V172 WeakPolarHBondContact CA-O 3.26Å; P153-V172 WeakPolarHBondContact CB-O 3.4Å; P153-F173 HydrophobicContact CB-CD1 3.59Å; P153-F173 HydrophobicContact CB-CE1 3.77Å; P153-F173 HydrophobicContact CB-CG 4.36Å; P153-F173 HydrophobicContact CG-CD1 4.17Å; P153-F173 HydrophobicContact CG-CE1 4.16Å; P153-F190 HydrophobicContact CB-CB 4.21Å; P153-F190 HydrophobicContact CG-CB 4.07Å; P153-F190 HydrophobicContact CG-CD1 4.35Å; P153-F190 HydrophobicContact CG-CG 4.44Å; P153-F190 WeakPolarHBondContact O-CB 3.4Å; P153-F190 PolarHBondContact O-N 3.09Å; P153-F218 HydrophobicContact CG-CB 4.39Å |
| 154 | F | 98.1 | Very high | 95.1 | Very high | 2 Ų | 2 | 48.6 Ų | 48.6 | 1% | 0.009 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.7 | 154.5 | 168.9 | 58.9 | -106.9 | 0 | 0 | 0 | 111.2 | L145 L150 F152 I171 V172 L178 I181 V187 Q188 | L145-F154 HydrophobicContact CD1-CE1 3.89Å; L145-F154 HydrophobicContact CD1-CZ 3.96Å; L145-F154 HydrophobicContact CD2-CE1 4.49Å; L150-F154 HydrophobicContact CD1-CB 4.46Å; F152-F154 AromaticContact CD1-CD1 3.74Å; F152-F154 HydrophobicContact CD1-CD1 3.74Å; F152-F154 AromaticContact CD1-CE1 3.47Å; F152-F154 HydrophobicContact CD1-CE1 3.47Å; F152-F154 VanDerWaalsContact CD1-CE1 3.47Å; F152-F154 HydrophobicContact CD1-CZ 4.29Å; F152-F154 AromaticContact CE1-CD1 3.93Å; F152-F154 HydrophobicContact CE1-CD1 3.93Å; F152-F154 AromaticContact CE1-CE1 3.15Å; F152-F154 HydrophobicContact CE1-CE1 3.15Å; F152-F154 AromaticContact CE1-CZ 3.7Å; F152-F154 HydrophobicContact CE1-CZ 3.7Å; F152-F154 HydrophobicContact CZ-CE1 4.03Å; F154-I171 WeakPolarHBondContact O-CA 3.47Å; F154-V172 HydrophobicContact CD2-CB 4.09Å; F154-V172 HydrophobicContact CD2-CG2 4.38Å; F154-V172 HydrophobicContact CE2-CB 3.6Å; F154-V172 HydrophobicContact CE2-CG1 4.22Å; F154-V172 HydrophobicContact CE2-CG2 3.76Å; F154-V172 HydrophobicContact CZ-CB 3.86Å; F154-V172 HydrophobicContact CZ-CG1 3.99Å; F154-V172 HydrophobicContact CZ-CG2 4.34Å; F154-V172 PolarHBondContact N-O 3.14Å; F154-V172 VanDerWaalsContact N-O 3.1Å; F154-V172 PolarHBondContact O-N 3Å; F154-L178 HydrophobicContact CZ-CD2 3.82Å; F154-I181 HydrophobicContact CE2-CD1 3.88Å; F154-I181 HydrophobicContact CZ-CD1 4.08Å; F154-V187 HydrophobicContact CD2-CB 4.01Å; F154-V187 HydrophobicContact CD2-CG1 4.09Å; F154-V187 HydrophobicContact CE2-CB 4.27Å; F154-V187 HydrophobicContact CE2-CG1 3.94Å; F154-Q188 CarbonylContact C-O 3.5Å; F154-Q188 WeakPolarHBondContact CA-O 3.46Å; F154-Q188 VanDerWaalsContact CB-O 3.25Å; F154-Q188 WeakPolarHBondContact CB-O 3.35Å |
| 155 | I | 98.3 | Very high | 94.4 | Very high | 13 Ų | 13 | 51 Ų | 51 | 7% | 0.067 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.2 | 134 | 177.4 | -175.2 | 169.3 | 0 | 0 | 0 | 110.5 | K157 M169 A170 V187 Q188 L215 F230 | I155-K157 HydrophobicContact CD1-CG 4.49Å; I155-K157 HydrophobicContact CG1-CG 4.21Å; I155-M169 HydrophobicContact CD1-CB 4.45Å; I155-M169 HydrophobicContact CD1-SD 3.86Å; I155-M169 HydrophobicContact CG1-CB 4.49Å; I155-A170 CarbonylContact C-O 3.55Å; I155-A170 VanDerWaalsContact CA-O 3.3Å; I155-A170 WeakPolarHBondContact CA-O 3.23Å; I155-A170 WeakPolarHBondContact CG1-O 3.45Å; I155-V187 CarbonylContact O-C 3.51Å; I155-V187 WeakPolarHBondContact O-CA 3.32Å; I155-Q188 HydrophobicContact CG2-CB 4.13Å; I155-Q188 WeakPolarHBondContact CG2-O 3.47Å; I155-Q188 PolarHBondContact N-O 3.04Å; I155-Q188 PolarHBondContact O-N 3.23Å; I155-L215 HydrophobicContact CD1-CD1 4.26Å; I155-F230 HydrophobicContact CD1-CE1 4.31Å; I155-F230 HydrophobicContact CD1-CZ 3.77Å |
| 156 | C | 98 | Very high | 94.1 | Very high | 8 Ų | 8 | 50.9 Ų | 50.9 | 5% | 0.054 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.7 | 130.5 | 171.8 | -54.4 | 0 | 0 | 0 | 0 | 109.4 | M169 A170 V186 | C156-M169 WeakPolarHBondContact O-CA 3.38Å; C156-M169 WeakPolarHBondContact O-CB 3.42Å; C156-A170 HydrophobicContact CB-CB 4.16Å; C156-A170 PolarHBondContact N-O 2.87Å; C156-A170 PolarHBondContact O-N 2.88Å; C156-A170 VanDerWaalsContact O-N 3.09Å; C156-V186 CarbonylContact C-O 3.56Å; C156-V186 WeakPolarHBondContact CA-O 3.44Å |
| 157 | K | 97.8 | Very high | 94 | Very high | 11 Ų | 11 | 46.2 Ų | 46.2 | 5% | 0.048 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.3 | 148.3 | 177.5 | -50.9 | 178.4 | -168.2 | 169.7 | 0 | 108.6 | Y110 I155 M169 C185 V186 I294 | Y110-K157 HydrophobicContact CE2-CD 4.48Å; Y110-K157 VanDerWaalsContact OH-CD 3.3Å; Y110-K157 WeakPolarHBondContact OH-CD 3.44Å; Y110-K157 PolarHBondContact OH-NZ 3.35Å; I155-K157 HydrophobicContact CD1-CG 4.49Å; I155-K157 HydrophobicContact CG1-CG 4.21Å; K157-M169 HydrophobicContact CB-CE 4.44Å; K157-M169 HydrophobicContact CD-CE 4.15Å; K157-M169 HydrophobicContact CD-SD 4.44Å; K157-M169 HydrophobicContact CG-CE 4.05Å; K157-M169 HydrophobicContact CG-CG 4.19Å; K157-M169 HydrophobicContact CG-SD 4.01Å; K157-C185 CarbonylContact O-C 3.47Å; K157-C185 WeakPolarHBondContact O-CA 3.4Å; K157-C185 VanDerWaalsContact O-CB 3.27Å; K157-C185 WeakPolarHBondContact O-CB 3.3Å; K157-V186 PolarHBondContact N-O 3.48Å; K157-V186 PolarHBondContact O-N 2.86Å; K157-I294 PolarHBondContact NZ-O 3.28Å |
| 158 | T | 97.1 | Very high | 93.9 | Very high | 37 Ų | 37 | 42.4 Ų | 42.4 | 23% | 0.227 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -59.4 | 150.2 | 172.1 | 59.4 | 0 | 0 | 0 | 0 | 110.9 | R106 V160 N165 S166 | R106-T158 WeakPolarHBondContact CD-O 3.35Å; R106-T158 PolarHBondContact NH1-O 2.93Å; R106-T158 PolarHBondContact NH1-OG1 3.13Å; T158-V160 PolarHBondContact OG1-O 3.34Å; T158-N165 WeakPolarHBondContact CG2-O 3.16Å; T158-S166 VanDerWaalsContact OG1-CA 3.25Å; T158-S166 WeakPolarHBondContact OG1-CA 3.26Å; T158-S166 PolarHBondContact OG1-O 3.38Å |
| 159 | R | 96.3 | Very high | 93.9 | Very high | 92 Ų | 92 | 40 Ų | 40 | 35% | 0.347 | 23% | 0.23 | S | C | . | . | S | Bend | trans | -64.4 | -45.9 | 174.2 | -173.9 | -175 | 74.7 | 176.1 | 2.3 | 112 | R106 E132 A161 | R106-R159 PolarHBondContact N-O 2.73Å; E132-R159 WeakPolarHBondContact OE1-CD 3.22Å; E132-R159 IonicContact OE1-NE 3.05Å; E132-R159 IonicContact OE1-NH1 3.43Å; E132-R159 PolarHBondContact OE1-NH1 3.4Å; R159-A161 PolarHBondContact O-N 2.9Å |
| 160 | V | 95.4 | Very high | 93.9 | Very high | 52 Ų | 52 | 38.3 Ų | 38.3 | 32% | 0.315 | 21% | 0.212 | S | C | . | . | B | Isolated β-bridge | trans | -65.2 | 123.7 | 174.2 | -180 | 0 | 0 | 0 | 0 | 108.6 | L65 R106 T158 H162 S166 | L65-V160 HydrophobicContact CD1-CG1 3.59Å; L65-V160 HydrophobicContact CD1-CG2 4.47Å; L65-V160 HydrophobicContact CD2-CG1 3.69Å; L65-V160 HydrophobicContact CG-CG1 4.31Å; R106-V160 PolarHBondContact NH1-O 2.94Å; T158-V160 PolarHBondContact OG1-O 3.34Å; V160-H162 WeakPolarHBondContact CG1-O 3.48Å; V160-S166 VanDerWaalsContact O-CB 3.3Å; V160-S166 WeakPolarHBondContact O-CB 3.36Å |
| 161 | A | 92.8 | Very high | 93.9 | Very high | 4 Ų | 4 | 37.8 Ų | 37.8 | 3% | 0.033 | 21% | 0.209 | C | C | . | . | trans | -89.2 | -12 | -168.4 | 0 | 0 | 0 | 0 | 0 | 114.8 | L103 L104 R106 R159 | L103-A161 WeakPolarHBondContact O-CB 3.32Å; L104-A161 PolarHBondContact O-N 3.14Å; R106-A161 HydrophobicContact CG-CB 3.6Å; R106-A161 PolarHBondContact NH2-O 3.05Å; R159-A161 PolarHBondContact O-N 2.9Å | ||
| 162 | H | 90.2 | Very high | 94 | Very high | 39 Ų | 39 | 35.1 Ų | 35.1 | 18% | 0.181 | 19% | 0.187 | C | C | . | . | S | Bend | trans | -141.4 | 161.3 | -176.4 | -163.1 | -89.6 | 0 | 0 | 0 | 111.7 | K59 T61 D62 L65 L104 V160 S166 | K59-H162 PolarHBondContact NZ-NE2 2.69Å; T61-H162 HydrophobicContact CG2-CB 3.82Å; D62-H162 IonicContact OD1-CE1 3.73Å; D62-H162 PolarHBondContact OD1-CE1 3.27Å; D62-H162 IonicContact OD1-CG 3.71Å; D62-H162 IonicContact OD1-ND1 3.2Å; D62-H162 PolarHBondContact OD1-ND1 3.22Å; D62-H162 IonicContact OD2-CE1 2.9Å; D62-H162 PolarHBondContact OD2-CE1 3.05Å; D62-H162 IonicContact OD2-ND1 2.96Å; L65-H162 VanDerWaalsContact CD2-O 3.28Å; L65-H162 WeakPolarHBondContact CD2-O 3.39Å; L104-H162 HydrophobicContact CD2-CB 4.09Å; V160-H162 WeakPolarHBondContact CG1-O 3.48Å; H162-S166 VanDerWaalsContact C-CB 3.43Å; H162-S166 VanDerWaalsContact CA-OG 3.25Å; H162-S166 WeakPolarHBondContact CA-OG 3.41Å; H162-S166 WeakPolarHBondContact O-CB 3.35Å; H162-S166 PolarHBondContact O-OG 3Å |
| 163 | G | 86.3 | Confident | 94 | Very high | 16 Ų | 16 | 33.9 Ų | 33.9 | 17% | 0.165 | 18% | 0.182 | C | C | . | . | S | Bend | trans | 98.2 | -179.3 | 177.5 | 0 | 0 | 0 | 0 | 0 | 114.7 | N165 S166 H167 | G163-N165 VanDerWaalsContact C-N 3.27Å; G163-N165 PolarHBondContact O-N 2.97Å; G163-S166 PolarHBondContact N-OG 2.83Å; G163-S166 PolarHBondContact O-N 2.71Å; G163-S166 PolarHBondContact O-OG 3.4Å; G163-H167 PolarHBondContact O-CD2 2.89Å |
| 164 | T | 77.9 | Confident | 93.9 | Very high | 136 Ų | 136 | 34.1 Ų | 34.1 | 83% | 0.834 | 18% | 0.182 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -57 | -27 | -160.6 | -52.4 | 0 | 0 | 0 | 0 | 115.9 | ||
| 165 | N | 81.8 | Confident | 93.8 | Very high | 125 Ų | 125 | 40 Ų | 40 | 67% | 0.668 | 21% | 0.21 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -119.4 | 9.1 | 180 | -63.2 | -26.6 | 0 | 0 | 0 | 113.5 | T158 G163 H167 | T158-N165 WeakPolarHBondContact CG2-O 3.16Å; G163-N165 VanDerWaalsContact C-N 3.27Å; G163-N165 PolarHBondContact O-N 2.97Å; N165-H167 PolarHBondContact O-N 2.92Å |
| 166 | S | 90.4 | Very high | 93.6 | Very high | 3 Ų | 3 | 47.3 Ų | 47.3 | 2% | 0.021 | 24% | 0.244 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -77.2 | -1.9 | -173.9 | 65.1 | 0 | 0 | 0 | 0 | 114.4 | R106 T158 V160 H162 G163 | R106-S166 PolarHBondContact NH1-O 3.41Å; R106-S166 PolarHBondContact NH2-O 2.78Å; T158-S166 VanDerWaalsContact OG1-CA 3.25Å; T158-S166 WeakPolarHBondContact OG1-CA 3.26Å; T158-S166 PolarHBondContact OG1-O 3.38Å; V160-S166 VanDerWaalsContact O-CB 3.3Å; V160-S166 WeakPolarHBondContact O-CB 3.36Å; H162-S166 VanDerWaalsContact C-CB 3.43Å; H162-S166 VanDerWaalsContact CA-OG 3.25Å; H162-S166 WeakPolarHBondContact CA-OG 3.41Å; H162-S166 WeakPolarHBondContact O-CB 3.35Å; H162-S166 PolarHBondContact O-OG 3Å; G163-S166 PolarHBondContact N-OG 2.83Å; G163-S166 PolarHBondContact O-N 2.71Å; G163-S166 PolarHBondContact O-OG 3.4Å |
| 167 | H | 91.9 | Very high | 93.5 | Very high | 37 Ų | 37 | 47.1 Ų | 47.1 | 17% | 0.171 | 24% | 0.244 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -111.4 | -8.7 | -166.4 | -65.4 | -65.1 | 0 | 0 | 0 | 114 | G163 N165 N231 S232 H233 | G163-H167 PolarHBondContact O-CD2 2.89Å; N165-H167 PolarHBondContact O-N 2.92Å; H167-N231 WeakPolarHBondContact CB-OD1 3.33Å; H167-N231 CarbonylContact O-C 3.59Å; H167-N231 WeakPolarHBondContact O-CA 3.44Å; H167-S232 VanDerWaalsContact CB-OG 3.31Å; H167-S232 WeakPolarHBondContact CB-OG 3.33Å; H167-S232 PolarHBondContact ND1-OG 2.96Å; H167-S232 PolarHBondContact O-N 3.43Å; H167-S232 PolarHBondContact O-OG 3.32Å; H167-H233 AromaticContact CD2-CE1 3.26Å; H167-H233 PolarHBondContact CD2-CE1 3.44Å; H167-H233 AromaticContact CD2-ND1 3.58Å; H167-H233 AromaticContact CE1-CE1 3.55Å; H167-H233 AromaticContact CG-CE1 3.4Å; H167-H233 VanDerWaalsContact CG-CE1 3.4Å; H167-H233 AromaticContact CG-ND1 3.31Å; H167-H233 VanDerWaalsContact CG-ND1 3.31Å; H167-H233 AromaticContact ND1-CE1 3.58Å; H167-H233 AromaticContact ND1-ND1 3.69Å; H167-H233 AromaticContact NE2-CE1 3.32Å; H167-H233 PolarHBondContact NE2-CE1 2.97Å; H167-H233 VanDerWaalsContact NE2-CE1 3.32Å |
| 168 | E | 95.4 | Very high | 93.3 | Very high | 100 Ų | 100 | 47.2 Ų | 47.2 | 47% | 0.467 | 25% | 0.245 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -73.4 | 127.5 | 171.3 | -62.7 | -55.3 | 147.4 | 0 | 0 | 109.2 | N231 | E168-N231 PolarHBondContact OE1-ND2 2.89Å |
| 169 | M | 97.1 | Very high | 93 | Very high | 22 Ų | 22 | 51.6 Ų | 51.6 | 11% | 0.108 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.7 | 158.6 | -176.2 | -64.9 | -178 | -176.3 | 0 | 0 | 109.7 | I155 C156 K157 F229 F230 | I155-M169 HydrophobicContact CD1-CB 4.45Å; I155-M169 HydrophobicContact CD1-SD 3.86Å; I155-M169 HydrophobicContact CG1-CB 4.49Å; C156-M169 WeakPolarHBondContact O-CA 3.38Å; C156-M169 WeakPolarHBondContact O-CB 3.42Å; K157-M169 HydrophobicContact CB-CE 4.44Å; K157-M169 HydrophobicContact CD-CE 4.15Å; K157-M169 HydrophobicContact CD-SD 4.44Å; K157-M169 HydrophobicContact CG-CE 4.05Å; K157-M169 HydrophobicContact CG-CG 4.19Å; K157-M169 HydrophobicContact CG-SD 4.01Å; M169-F229 WeakPolarHBondContact O-CA 3.49Å; M169-F230 HydrophobicContact CB-CD1 4.29Å; M169-F230 HydrophobicContact CB-CE1 3.7Å; M169-F230 HydrophobicContact CB-CE2 3.97Å; M169-F230 HydrophobicContact CB-CZ 3.53Å; M169-F230 HydrophobicContact CG-CE2 4.5Å; M169-F230 HydrophobicContact CG-CZ 4.31Å; M169-F230 PolarHBondContact N-O 2.93Å; M169-F230 PolarHBondContact O-N 2.87Å; M169-F230 HydrophobicContact SD-CE2 4.07Å; M169-F230 HydrophobicContact SD-CZ 3.96Å |
| 170 | A | 97.6 | Very high | 92.5 | Very high | 4 Ų | 4 | 47.5 Ų | 47.5 | 3% | 0.033 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131 | 151.8 | 171.9 | 0 | 0 | 0 | 0 | 0 | 110.8 | I155 C156 I228 F229 | I155-A170 CarbonylContact C-O 3.55Å; I155-A170 VanDerWaalsContact CA-O 3.3Å; I155-A170 WeakPolarHBondContact CA-O 3.23Å; I155-A170 WeakPolarHBondContact CG1-O 3.45Å; C156-A170 HydrophobicContact CB-CB 4.16Å; C156-A170 PolarHBondContact N-O 2.87Å; C156-A170 PolarHBondContact O-N 2.88Å; C156-A170 VanDerWaalsContact O-N 3.09Å; A170-I228 CarbonylContact C-O 3.49Å; A170-I228 WeakPolarHBondContact CA-O 3.26Å; A170-F229 HydrophobicContact CB-CD1 3.84Å; A170-F229 HydrophobicContact CB-CE1 3.95Å |
| 171 | I | 98.2 | Very high | 92.2 | Very high | 0 Ų | 0 | 45.2 Ų | 45.2 | 0% | 0 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.1 | 122.6 | 166.9 | -45.7 | 178.8 | 0 | 0 | 0 | 107.2 | P153 F154 F173 F190 L215 F218 S227 I228 F230 | P153-I171 HydrophobicContact CB-CG2 4.01Å; F154-I171 WeakPolarHBondContact O-CA 3.47Å; I171-F173 HydrophobicContact CB-CE2 3.84Å; I171-F173 HydrophobicContact CB-CZ 3.9Å; I171-F173 HydrophobicContact CG2-CD2 4.45Å; I171-F173 HydrophobicContact CG2-CE1 3.92Å; I171-F173 HydrophobicContact CG2-CE2 3.76Å; I171-F173 HydrophobicContact CG2-CZ 3.45Å; I171-F173 VanDerWaalsContact CG2-CZ 3.45Å; I171-F173 WeakPolarHBondContact O-CE2 3.28Å; I171-F190 HydrophobicContact CD1-CD2 4.27Å; I171-F190 HydrophobicContact CD1-CE2 4.03Å; I171-F190 HydrophobicContact CG2-CD2 4.35Å; I171-L215 HydrophobicContact CD1-CD1 3.99Å; I171-F218 HydrophobicContact CD1-CD2 4.36Å; I171-F218 HydrophobicContact CD1-CE2 3.46Å; I171-F218 VanDerWaalsContact CD1-CE2 3.46Å; I171-F218 HydrophobicContact CD1-CZ 3.91Å; I171-S227 CarbonylContact O-C 3.53Å; I171-S227 WeakPolarHBondContact O-CA 3.26Å; I171-S227 WeakPolarHBondContact O-CB 3.4Å; I171-I228 HydrophobicContact CB-CB 4.43Å; I171-I228 PolarHBondContact N-O 3.2Å; I171-I228 PolarHBondContact O-N 3.47Å; I171-F230 HydrophobicContact CD1-CE1 4.13Å; I171-F230 HydrophobicContact CG1-CD1 4.44Å; I171-F230 HydrophobicContact CG1-CE1 3.76Å |
| 172 | V | 98.1 | Very high | 92.2 | Very high | 0 Ų | 0 | 51.6 Ų | 51.6 | 0% | 0 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.1 | 129.3 | -179.3 | -174.9 | 0 | 0 | 0 | 0 | 108.8 | F152 P153 F154 N174 A180 I181 | F152-V172 HydrophobicContact CD1-CG1 4.25Å; F152-V172 HydrophobicContact CE1-CB 4.46Å; F152-V172 HydrophobicContact CE1-CG1 3.7Å; P153-V172 WeakPolarHBondContact CA-O 3.26Å; P153-V172 WeakPolarHBondContact CB-O 3.4Å; F154-V172 HydrophobicContact CD2-CB 4.09Å; F154-V172 HydrophobicContact CD2-CG2 4.38Å; F154-V172 HydrophobicContact CE2-CB 3.6Å; F154-V172 HydrophobicContact CE2-CG1 4.22Å; F154-V172 HydrophobicContact CE2-CG2 3.76Å; F154-V172 HydrophobicContact CZ-CB 3.86Å; F154-V172 HydrophobicContact CZ-CG1 3.99Å; F154-V172 HydrophobicContact CZ-CG2 4.34Å; F154-V172 PolarHBondContact N-O 3.14Å; F154-V172 VanDerWaalsContact N-O 3.1Å; F154-V172 PolarHBondContact O-N 3Å; V172-N174 WeakPolarHBondContact CG1-O 3.5Å; V172-A180 HydrophobicContact CG2-CB 4.34Å; V172-I181 HydrophobicContact CG2-CG1 4.27Å |
| 173 | F | 97.9 | Very high | 92.3 | Very high | 0 Ų | 0 | 51.2 Ų | 51.2 | 0% | 0 | 27% | 0.268 | C | S | . | . | trans | -110.4 | -13.1 | -172.1 | -65.4 | -84.3 | 0 | 0 | 0 | 114.4 | F152 P153 I171 F218 T222 S223 R225 I228 | F152-F173 WeakPolarHBondContact CB-O 3.47Å; P153-F173 HydrophobicContact CB-CD1 3.59Å; P153-F173 HydrophobicContact CB-CE1 3.77Å; P153-F173 HydrophobicContact CB-CG 4.36Å; P153-F173 HydrophobicContact CG-CD1 4.17Å; P153-F173 HydrophobicContact CG-CE1 4.16Å; I171-F173 HydrophobicContact CB-CE2 3.84Å; I171-F173 HydrophobicContact CB-CZ 3.9Å; I171-F173 HydrophobicContact CG2-CD2 4.45Å; I171-F173 HydrophobicContact CG2-CE1 3.92Å; I171-F173 HydrophobicContact CG2-CE2 3.76Å; I171-F173 HydrophobicContact CG2-CZ 3.45Å; I171-F173 VanDerWaalsContact CG2-CZ 3.45Å; I171-F173 WeakPolarHBondContact O-CE2 3.28Å; F173-F218 HydrophobicContact CE1-CB 3.84Å; F173-F218 AromaticContact CE1-CD1 3.89Å; F173-F218 HydrophobicContact CE1-CD1 3.89Å; F173-F218 HydrophobicContact CE1-CD2 4.09Å; F173-F218 HydrophobicContact CE1-CE1 4.46Å; F173-F218 AromaticContact CE1-CG 3.66Å; F173-F218 HydrophobicContact CE1-CG 3.66Å; F173-F218 AromaticContact CZ-CD1 3.94Å; F173-F218 HydrophobicContact CZ-CD1 3.94Å; F173-F218 HydrophobicContact CZ-CD2 4.17Å; F173-F218 HydrophobicContact CZ-CE1 4.05Å; F173-F218 HydrophobicContact CZ-CE2 4.32Å; F173-F218 AromaticContact CZ-CG 3.99Å; F173-F218 HydrophobicContact CZ-CG 3.99Å; F173-F218 HydrophobicContact CZ-CZ 4.24Å; F173-T222 WeakPolarHBondContact O-CA 3.26Å; F173-S223 PolarHBondContact O-N 3.03Å; F173-R225 HydrophobicContact CB-CG 3.65Å; F173-R225 HydrophobicContact CD1-CG 3.96Å; F173-R225 HydrophobicContact CD2-CG 3.51Å; F173-R225 HydrophobicContact CE2-CG 4.14Å; F173-R225 HydrophobicContact CG-CG 3.41Å; F173-R225 VanDerWaalsContact CG-CG 3.41Å; F173-I228 HydrophobicContact CE2-CB 4.33Å; F173-I228 HydrophobicContact CE2-CD1 3.77Å; F173-I228 HydrophobicContact CE2-CG1 3.84Å; F173-I228 HydrophobicContact CZ-CD1 3.83Å; F173-I228 HydrophobicContact CZ-CG1 4.41Å | ||
| 174 | N | 96.6 | Very high | 92.7 | Very high | 15 Ų | 15 | 53.7 Ų | 53.7 | 8% | 0.08 | 28% | 0.282 | C | S | . | . | S | Bend | trans | -160.5 | 174.6 | -176.2 | 58.3 | 52.5 | 0 | 0 | 0 | 111 | F152 V172 E176 G177 T222 S223 R225 | F152-N174 VanDerWaalsContact CE1-O 3.28Å; F152-N174 WeakPolarHBondContact CE1-O 3.2Å; F152-N174 VanDerWaalsContact CZ-O 3.27Å; F152-N174 WeakPolarHBondContact CZ-O 3.33Å; V172-N174 WeakPolarHBondContact CG1-O 3.5Å; N174-E176 VanDerWaalsContact C-N 3.34Å; N174-E176 PolarHBondContact O-N 2.81Å; N174-E176 WeakPolarHBondContact OD1-CB 3.25Å; N174-E176 PolarHBondContact OD1-N 3.45Å; N174-E176 VanDerWaalsContact OD1-N 3.12Å; N174-G177 PolarHBondContact O-N 3.46Å; N174-G177 PolarHBondContact OD1-N 2.81Å; N174-T222 HydrophobicContact CB-CG2 3.67Å; N174-S223 PolarHBondContact ND2-O 3.01Å; N174-R225 PolarHBondContact ND2-O 3.48Å |
| 175 | Q | 95.6 | Very high | 93.6 | Very high | 125 Ų | 125 | 47.4 Ų | 47.4 | 58% | 0.584 | 24% | 0.243 | S | C | * | . | S | Bend | trans | -65.4 | -33.9 | -178.7 | -177.4 | 173.7 | -11.4 | 0 | 0 | 113.1 | M142 G177 L178 | M142-Q175 HydrophobicContact CG-CG 3.77Å; M142-Q175 HydrophobicContact SD-CB 4.13Å; M142-Q175 HydrophobicContact SD-CG 3.92Å; Q175-G177 PolarHBondContact O-N 2.83Å; Q175-L178 HydrophobicContact CG-CD1 4.11Å; Q175-L178 WeakPolarHBondContact O-CB 3.34Å; Q175-L178 VanDerWaalsContact O-CG 3.23Å; Q175-L178 WeakPolarHBondContact O-CG 3.37Å; Q175-L178 PolarHBondContact O-N 3.2Å |
| 176 | E | 94.4 | Very high | 94.4 | Very high | 167 Ų | 167 | 41.5 Ų | 41.5 | 78% | 0.78 | 21% | 0.212 | S | C | * | . | G | 310 helix | trans | -64.6 | -33.8 | 177.9 | -60.7 | -175.8 | 174.8 | 0 | 0 | 111.4 | N174 L178 N179 | N174-E176 VanDerWaalsContact C-N 3.34Å; N174-E176 PolarHBondContact O-N 2.81Å; N174-E176 WeakPolarHBondContact OD1-CB 3.25Å; N174-E176 PolarHBondContact OD1-N 3.45Å; N174-E176 VanDerWaalsContact OD1-N 3.12Å; E176-L178 PolarHBondContact O-N 3.18Å; E176-N179 VanDerWaalsContact O-CG 3.25Å; E176-N179 PolarHBondContact O-ND2 2.93Å; E176-N179 PolarHBondContact O-OD1 2.76Å |
| 177 | G | 95.5 | Very high | 94.8 | Very high | 5 Ų | 5 | 41.3 Ų | 41.3 | 5% | 0.052 | 21% | 0.211 | C | C | . | . | G | 310 helix | trans | -71.8 | -2.7 | 177.2 | 0 | 0 | 0 | 0 | 0 | 115.4 | N174 Q175 N179 A180 S227 | N174-G177 PolarHBondContact O-N 3.46Å; N174-G177 PolarHBondContact OD1-N 2.81Å; Q175-G177 PolarHBondContact O-N 2.83Å; G177-N179 PolarHBondContact O-N 3.18Å; G177-N179 PolarHBondContact O-OD1 3.22Å; G177-A180 WeakPolarHBondContact O-CB 3.32Å; G177-A180 PolarHBondContact O-N 3.41Å; G177-S227 WeakPolarHBondContact CA-OG 3.06Å; G177-S227 PolarHBondContact O-OG 2.87Å |
| 178 | L | 94.1 | Very high | 95.1 | Very high | 13 Ų | 13 | 39.8 Ų | 39.8 | 7% | 0.068 | 20% | 0.204 | C | C | . | . | G | 310 helix | trans | -61.4 | -22 | 175.4 | -70.2 | 179.3 | 0 | 0 | 0 | 113 | C137 T141 M142 L145 F152 F154 Q175 E176 A180 I181 | C137-L178 HydrophobicContact CB-CB 4.08Å; C137-L178 PolarHBondContact SG-O 3.44Å; C137-L178 VanDerWaalsContact SG-O 3.42Å; T141-L178 HydrophobicContact CG2-CD1 4.05Å; T141-L178 HydrophobicContact CG2-CD2 4.28Å; M142-L178 HydrophobicContact CG-CD1 3.99Å; M142-L178 HydrophobicContact SD-CD1 3.73Å; M142-L178 HydrophobicContact SD-CG 4.49Å; L145-L178 HydrophobicContact CD1-CD2 3.76Å; F152-L178 HydrophobicContact CZ-CD2 4.48Å; F154-L178 HydrophobicContact CZ-CD2 3.82Å; Q175-L178 HydrophobicContact CG-CD1 4.11Å; Q175-L178 WeakPolarHBondContact O-CB 3.34Å; Q175-L178 VanDerWaalsContact O-CG 3.23Å; Q175-L178 WeakPolarHBondContact O-CG 3.37Å; Q175-L178 PolarHBondContact O-N 3.2Å; E176-L178 PolarHBondContact O-N 3.18Å; L178-A180 PolarHBondContact O-N 3.48Å; L178-I181 HydrophobicContact CD2-CD1 3.74Å; L178-I181 WeakPolarHBondContact O-CB 3.3Å; L178-I181 WeakPolarHBondContact O-CG1 3.31Å; L178-I181 PolarHBondContact O-N 3.5Å |
| 179 | N | 89.6 | Confident | 95.3 | Very high | 128 Ų | 128 | 36.2 Ų | 36.2 | 68% | 0.684 | 19% | 0.187 | S | C | * | . | G | 310 helix | trans | -63.1 | -18.3 | 172.3 | 62 | 7.4 | 0 | 0 | 0 | 113.6 | E176 G177 I181 | E176-N179 VanDerWaalsContact O-CG 3.25Å; E176-N179 PolarHBondContact O-ND2 2.93Å; E176-N179 PolarHBondContact O-OD1 2.76Å; G177-N179 PolarHBondContact O-N 3.18Å; G177-N179 PolarHBondContact O-OD1 3.22Å; N179-I181 PolarHBondContact O-N 3.03Å |
| 180 | A | 86.3 | Confident | 95.3 | Very high | 7 Ų | 7 | 36.3 Ų | 36.3 | 6% | 0.058 | 19% | 0.187 | C | C | . | . | G | 310 helix | trans | -72 | -17.7 | 175.9 | 0 | 0 | 0 | 0 | 0 | 113 | V172 G177 L178 Q182 F229 | V172-A180 HydrophobicContact CG2-CB 4.34Å; G177-A180 WeakPolarHBondContact O-CB 3.32Å; G177-A180 PolarHBondContact O-N 3.41Å; L178-A180 PolarHBondContact O-N 3.48Å; A180-Q182 PolarHBondContact O-N 2.88Å; A180-F229 HydrophobicContact CB-CE1 3.84Å; A180-F229 HydrophobicContact CB-CE2 4.18Å; A180-F229 HydrophobicContact CB-CZ 3.33Å |
| 181 | I | 89.7 | Confident | 95.4 | Very high | 3 Ų | 3 | 37.4 Ų | 37.4 | 2% | 0.015 | 19% | 0.192 | C | C | . | . | trans | -75.6 | 125.1 | -175.3 | -58.5 | -174.6 | 0 | 0 | 0 | 109.5 | L133 F154 V172 L178 N179 P183 C185 V187 | L133-I181 HydrophobicContact CD1-CD1 3.95Å; L133-I181 HydrophobicContact CD1-CG2 3.93Å; F154-I181 HydrophobicContact CE2-CD1 3.88Å; F154-I181 HydrophobicContact CZ-CD1 4.08Å; V172-I181 HydrophobicContact CG2-CG1 4.27Å; L178-I181 HydrophobicContact CD2-CD1 3.74Å; L178-I181 WeakPolarHBondContact O-CB 3.3Å; L178-I181 WeakPolarHBondContact O-CG1 3.31Å; L178-I181 PolarHBondContact O-N 3.5Å; N179-I181 PolarHBondContact O-N 3.03Å; I181-P183 HydrophobicContact CG2-CG 4.44Å; I181-P183 WeakPolarHBondContact O-CD 3.25Å; I181-C185 WeakPolarHBondContact CG2-SG 3.44Å; I181-V187 HydrophobicContact CD1-CG1 4.27Å | ||
| 182 | Q | 91.5 | Very high | 95.4 | Very high | 139 Ų | 139 | 38.2 Ų | 38.2 | 65% | 0.65 | 20% | 0.197 | S | C | * | . | trans | -115.7 | 95.1 | 176.8 | -65.5 | -64.6 | -21.3 | 0 | 0 | 110.1 | A180 C185 | A180-Q182 PolarHBondContact O-N 2.88Å; Q182-C185 WeakPolarHBondContact O-CB 3.36Å | ||
| 183 | P | 93.4 | Very high | 95.4 | Very high | 30 Ų | 30 | 38.7 Ų | 38.7 | 20% | 0.195 | 20% | 0.199 | C | C | . | . | S | Bend | trans | -68.5 | 152.9 | 177.2 | -16.9 | 30.5 | 0 | 0 | 0 | 112.9 | S135 L136 I181 | S135-P183 WeakPolarHBondContact O-CG 3.38Å; L136-P183 HydrophobicContact CD2-CG 4.36Å; I181-P183 HydrophobicContact CG2-CG 4.44Å; I181-P183 WeakPolarHBondContact O-CD 3.25Å |
| 184 | P | 94.8 | Very high | 95.5 | Very high | 69 Ų | 69 | 38.8 Ų | 38.8 | 45% | 0.448 | 20% | 0.199 | S | C | . | . | S | Bend | cis | -74.4 | 129 | -4.7 | 30 | -34 | 0 | 0 | 0 | 112 | L133 | L133-P184 WeakPolarHBondContact O-CA 3.25Š|
| 185 | C | 96.8 | Very high | 95.6 | Very high | 4 Ų | 4 | 38.6 Ų | 38.6 | 3% | 0.027 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142 | 162.8 | -180 | 71.9 | 0 | 0 | 0 | 0 | 111.5 | E132 L133 K157 I181 Q182 | E132-C185 WeakPolarHBondContact CA-O 3.28Å; L133-C185 PolarHBondContact N-O 2.72Å; L133-C185 PolarHBondContact O-N 2.86Å; K157-C185 CarbonylContact O-C 3.47Å; K157-C185 WeakPolarHBondContact O-CA 3.4Å; K157-C185 VanDerWaalsContact O-CB 3.27Å; K157-C185 WeakPolarHBondContact O-CB 3.3Å; I181-C185 WeakPolarHBondContact CG2-SG 3.44Å; Q182-C185 WeakPolarHBondContact O-CB 3.36Å |
| 186 | V | 98.2 | Very high | 95.7 | Very high | 0 Ų | 0 | 33.8 Ų | 33.8 | 0% | 0 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.3 | 126.4 | 169.1 | 176.6 | 0 | 0 | 0 | 0 | 107.8 | R106 Y110 F130 M131 C156 K157 | R106-V186 HydrophobicContact CB-CG2 3.94Å; Y110-V186 HydrophobicContact CD2-CG1 3.76Å; Y110-V186 HydrophobicContact CE2-CG1 3.76Å; F130-V186 HydrophobicContact CB-CG1 4.44Å; F130-V186 HydrophobicContact CD2-CG1 4.09Å; M131-V186 WeakPolarHBondContact O-CA 3.26Å; C156-V186 CarbonylContact C-O 3.56Å; C156-V186 WeakPolarHBondContact CA-O 3.44Å; K157-V186 PolarHBondContact N-O 3.48Å; K157-V186 PolarHBondContact O-N 2.86Å |
| 187 | V | 98.3 | Very high | 95.9 | Very high | 0 Ų | 0 | 26 Ų | 26 | 0% | 0 | 14% | 0.143 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.6 | 137.7 | 168.3 | -63.9 | 0 | 0 | 0 | 0 | 108.9 | F130 M131 L133 L145 L150 F154 I155 I181 | F130-V187 CarbonylContact C-O 3.47Å; F130-V187 WeakPolarHBondContact CA-O 3.21Å; F130-V187 VanDerWaalsContact CB-O 3.29Å; F130-V187 WeakPolarHBondContact CB-O 3.35Å; M131-V187 HydrophobicContact CG-CG2 3.43Å; M131-V187 VanDerWaalsContact CG-CG2 3.43Å; M131-V187 PolarHBondContact N-O 3.2Å; M131-V187 PolarHBondContact O-N 3.19Å; M131-V187 HydrophobicContact SD-CG2 4.45Å; L133-V187 HydrophobicContact CD1-CG1 3.69Å; L133-V187 HydrophobicContact CD1-CG2 4.11Å; L133-V187 HydrophobicContact CG-CG1 4.4Å; L133-V187 HydrophobicContact CG-CG2 4.22Å; L145-V187 HydrophobicContact CD2-CG2 3.89Å; L150-V187 HydrophobicContact CD1-CG2 4.2Å; L150-V187 HydrophobicContact CG-CG2 4.18Å; F154-V187 HydrophobicContact CD2-CB 4.01Å; F154-V187 HydrophobicContact CD2-CG1 4.09Å; F154-V187 HydrophobicContact CE2-CB 4.27Å; F154-V187 HydrophobicContact CE2-CG1 3.94Å; I155-V187 CarbonylContact O-C 3.51Å; I155-V187 WeakPolarHBondContact O-CA 3.32Å; I181-V187 HydrophobicContact CD1-CG1 4.27Å |
| 188 | Q | 98.6 | Very high | 96.1 | Very high | 5 Ų | 5 | 26.2 Ų | 26.2 | 2% | 0.023 | 14% | 0.142 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.9 | 136.7 | -178.6 | 178.6 | 178.5 | 64.4 | 0 | 0 | 109.2 | P128 P129 F130 F154 I155 F190 | P128-Q188 HydrophobicContact CB-CG 3.78Å; P129-Q188 CarbonylContact O-C 3.49Å; P129-Q188 WeakPolarHBondContact O-CA 3.47Å; F130-Q188 HydrophobicContact CB-CB 3.9Å; F130-Q188 HydrophobicContact CB-CG 4.05Å; F154-Q188 CarbonylContact C-O 3.5Å; F154-Q188 WeakPolarHBondContact CA-O 3.46Å; F154-Q188 VanDerWaalsContact CB-O 3.25Å; F154-Q188 WeakPolarHBondContact CB-O 3.35Å; I155-Q188 HydrophobicContact CG2-CB 4.13Å; I155-Q188 WeakPolarHBondContact CG2-O 3.47Å; I155-Q188 PolarHBondContact N-O 3.04Å; I155-Q188 PolarHBondContact O-N 3.23Å; Q188-F190 PolarHBondContact O-N 3.08Å |
| 189 | N | 98.6 | Very high | 96.3 | Very high | 24 Ų | 24 | 26.7 Ų | 26.7 | 13% | 0.128 | 14% | 0.144 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -53.2 | 134.3 | 177 | -79.3 | -2.7 | 0 | 0 | 0 | 111.2 | P129 G149 L150 A151 | P129-N189 WeakPolarHBondContact CG-ND2 3.45Å; P129-N189 PolarHBondContact O-N 3.22Å; G149-N189 PolarHBondContact O-ND2 3.5Å; G149-N189 VanDerWaalsContact O-ND2 3.07Å; L150-N189 VanDerWaalsContact CA-OD1 3.23Å; L150-N189 WeakPolarHBondContact CA-OD1 3.5Å; L150-N189 WeakPolarHBondContact CD1-OD1 3.49Å; A151-N189 PolarHBondContact N-OD1 2.79Å; A151-N189 PolarHBondContact O-OD1 2.88Å |
| 190 | F | 98.6 | Very high | 96.7 | Very high | 24 Ų | 24 | 20.6 Ų | 20.6 | 11% | 0.105 | 11% | 0.111 | C | C | . | . | trans | -77.5 | 127.9 | 174.5 | -174.8 | -84 | 0 | 0 | 0 | 108.6 | P153 I171 Q188 N192 L215 K216 F218 | P153-F190 HydrophobicContact CB-CB 4.21Å; P153-F190 HydrophobicContact CG-CB 4.07Å; P153-F190 HydrophobicContact CG-CD1 4.35Å; P153-F190 HydrophobicContact CG-CG 4.44Å; P153-F190 WeakPolarHBondContact O-CB 3.4Å; P153-F190 PolarHBondContact O-N 3.09Å; I171-F190 HydrophobicContact CD1-CD2 4.27Å; I171-F190 HydrophobicContact CD1-CE2 4.03Å; I171-F190 HydrophobicContact CG2-CD2 4.35Å; Q188-F190 PolarHBondContact O-N 3.08Å; F190-N192 VanDerWaalsContact CE1-OD1 3.32Å; F190-N192 WeakPolarHBondContact CE1-OD1 3.29Å; F190-L215 HydrophobicContact CE2-CB 3.91Å; F190-L215 HydrophobicContact CE2-CD1 3.77Å; F190-L215 HydrophobicContact CE2-CG 4.48Å; F190-L215 HydrophobicContact CZ-CB 3.94Å; F190-K216 WeakPolarHBondContact CZ-O 3.18Å; F190-F218 HydrophobicContact CD1-CD2 4.1Å; F190-F218 HydrophobicContact CD2-CD2 4.49Å; F190-F218 AromaticContact CE1-CD2 3.56Å; F190-F218 HydrophobicContact CE1-CD2 3.56Å; F190-F218 HydrophobicContact CE1-CE2 4.2Å; F190-F218 AromaticContact CE2-CD2 3.99Å; F190-F218 HydrophobicContact CE2-CD2 3.99Å; F190-F218 AromaticContact CE2-CE2 3.89Å; F190-F218 HydrophobicContact CE2-CE2 3.89Å; F190-F218 AromaticContact CZ-CD2 3.5Å; F190-F218 HydrophobicContact CZ-CD2 3.5Å; F190-F218 VanDerWaalsContact CZ-CD2 3.5Å; F190-F218 AromaticContact CZ-CE2 3.65Å; F190-F218 HydrophobicContact CZ-CE2 3.65Å | ||
| 191 | I | 98.5 | Very high | 97.3 | Very high | 27 Ų | 27 | 20.7 Ų | 20.7 | 14% | 0.138 | 11% | 0.11 | C | C | . | . | trans | -108.5 | 120.9 | 179.1 | -55.3 | -57.6 | 0 | 0 | 0 | 108 | P128 H193 I283 N285 | P128-I191 HydrophobicContact CB-CD1 4.28Å; P128-I191 HydrophobicContact CB-CG1 4.08Å; P128-I191 HydrophobicContact CG-CG1 3.93Å; I191-H193 PolarHBondContact O-N 2.86Å; I191-H193 PolarHBondContact O-ND1 3.39Å; I191-I283 HydrophobicContact CB-CD1 3.77Å; I191-I283 HydrophobicContact CG2-CD1 4.18Å; I191-N285 HydrophobicContact CG2-CB 3.62Å | ||
| 192 | N | 98.7 | Very high | 97.8 | Very high | 18 Ų | 18 | 20.5 Ų | 20.5 | 10% | 0.096 | 11% | 0.109 | C | C | . | . | trans | -65.2 | 130.2 | 170.4 | -77.3 | -23.3 | 0 | 0 | 0 | 109.7 | F190 N217 F218 N286 | F190-N192 VanDerWaalsContact CE1-OD1 3.32Å; F190-N192 WeakPolarHBondContact CE1-OD1 3.29Å; N192-N217 HydrophobicContact CB-CB 4.34Å; N192-N217 VanDerWaalsContact OD1-CA 3.26Å; N192-N217 WeakPolarHBondContact OD1-CA 3.32Å; N192-F218 PolarHBondContact ND2-O 2.96Å; N192-F218 PolarHBondContact OD1-N 2.92Å; N192-F218 PolarHBondContact OD1-O 3.16Å; N192-N286 VanDerWaalsContact CB-OD1 3.29Å; N192-N286 WeakPolarHBondContact CB-OD1 3.47Å; N192-N286 PolarHBondContact O-N 2.88Å; N192-N286 PolarHBondContact O-OD1 3.36Å | ||
| 193 | H | 98.7 | Very high | 98.1 | Very high | 9 Ų | 9 | 14 Ų | 14 | 4% | 0.042 | 8% | 0.079 | C | C | . | . | trans | -147.3 | 23.8 | -170.7 | 60.1 | -83.3 | 0 | 0 | 0 | 113.1 | I191 A195 V196 S214 L215 N217 I283 I284 | I191-H193 PolarHBondContact O-N 2.86Å; I191-H193 PolarHBondContact O-ND1 3.39Å; H193-A195 PolarHBondContact O-N 3.06Å; H193-V196 PolarHBondContact CD2-O 2.87Å; H193-V196 PolarHBondContact O-N 3.05Å; H193-S214 WeakPolarHBondContact NE2-CB 3.49Å; H193-S214 PolarHBondContact NE2-OG 3.21Å; H193-L215 PolarHBondContact CE1-O 2.92Å; H193-L215 PolarHBondContact NE2-O 3.29Å; H193-N217 PolarHBondContact N-OD1 3.29Å; H193-I283 HydrophobicContact CB-CB 3.69Å; H193-I283 HydrophobicContact CB-CD1 4.13Å; H193-I283 HydrophobicContact CB-CG1 4.29Å; H193-I283 HydrophobicContact CB-CG2 4.35Å; H193-I283 VanDerWaalsContact CD2-CG2 3.49Å; H193-I283 WeakPolarHBondContact CD2-CG2 3.35Å; H193-I284 VanDerWaalsContact CA-O 3.25Å; H193-I284 WeakPolarHBondContact CA-O 3.4Å; H193-I284 WeakPolarHBondContact CB-O 3.19Å | ||
| 194 | N | 98.6 | Very high | 98.3 | Very high | 2 Ų | 2 | 12.6 Ų | 12.6 | 1% | 0.011 | 7% | 0.07 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 54.9 | 38.4 | 175.4 | -64.7 | -45.6 | 0 | 0 | 0 | 113.4 | V196 N217 L247 E251 V253 F254 N286 | N194-V196 PolarHBondContact O-N 2.85Å; N194-N217 WeakPolarHBondContact CA-OD1 3.33Å; N194-N217 PolarHBondContact N-OD1 3.33Å; N194-N217 PolarHBondContact OD1-ND2 3.49Å; N194-L247 HydrophobicContact CB-CD2 4.03Å; N194-E251 PolarHBondContact ND2-O 3.4Å; N194-E251 PolarHBondContact OD1-N 3.15Å; N194-E251 PolarHBondContact OD1-O 3.45Å; N194-V253 PolarHBondContact ND2-O 2.96Å; N194-F254 HydrophobicContact CB-CD2 3.46Å; N194-F254 VanDerWaalsContact CB-CD2 3.46Å; N194-F254 HydrophobicContact CB-CE2 3.7Å; N194-F254 HydrophobicContact CB-CG 4.34Å; N194-N286 WeakPolarHBondContact ND2-CB 3.47Å |
| 195 | A | 98.4 | Very high | 98.4 | Very high | 11 Ų | 11 | 13.5 Ų | 13.5 | 9% | 0.091 | 7% | 0.068 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 57.8 | 17.3 | 173.4 | 0 | 0 | 0 | 0 | 0 | 116.7 | H193 S214 L215 L247 | H193-A195 PolarHBondContact O-N 3.06Å; A195-S214 WeakPolarHBondContact O-CB 3.37Å; A195-S214 PolarHBondContact O-N 3.41Å; A195-L215 WeakPolarHBondContact CA-O 3.25Å; A195-L247 HydrophobicContact CB-CB 3.88Å; A195-L247 HydrophobicContact CB-CD1 4.18Å; A195-L247 HydrophobicContact CB-CG 4.47Å |
| 196 | V | 98.7 | Very high | 98.5 | Very high | 25 Ų | 25 | 15.4 Ų | 15.4 | 15% | 0.152 | 8% | 0.081 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113 | 121.4 | 177.7 | -179.1 | 0 | 0 | 0 | 0 | 110.7 | H193 N194 Y198 Q211 F254 | H193-V196 PolarHBondContact CD2-O 2.87Å; H193-V196 PolarHBondContact O-N 3.05Å; N194-V196 PolarHBondContact O-N 2.85Å; V196-Y198 HydrophobicContact CB-CE2 4.38Å; V196-Y198 HydrophobicContact CG1-CD2 4.29Å; V196-Y198 HydrophobicContact CG1-CE1 4.11Å; V196-Y198 HydrophobicContact CG1-CE2 3.76Å; V196-Q211 HydrophobicContact CG1-CB 4.49Å; V196-Q211 HydrophobicContact CG1-CG 4.1Å; V196-F254 HydrophobicContact CB-CE2 4.29Å; V196-F254 HydrophobicContact CG2-CE2 3.76Å; V196-F254 HydrophobicContact CG2-CZ 3.88Å |
| 197 | L | 98.8 | Very high | 98.5 | Very high | 3 Ų | 3 | 17.7 Ų | 17.7 | 2% | 0.016 | 9% | 0.09 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.9 | 131.4 | 172.5 | 170.7 | 62.3 | 0 | 0 | 0 | 110.5 | K199 Q211 R212 D281 I282 I283 I294 | L197-K199 HydrophobicContact CD2-CG 4.34Å; L197-K199 HydrophobicContact CG-CG 4.26Å; L197-Q211 CarbonylContact O-C 3.38Å; L197-Q211 WeakPolarHBondContact O-CA 3.41Å; L197-R212 HydrophobicContact CB-CB 4.33Å; L197-R212 HydrophobicContact CD2-CB 4.46Å; L197-R212 PolarHBondContact N-O 3.05Å; L197-R212 PolarHBondContact O-N 2.77Å; L197-D281 HydrophobicContact CD1-CB 3.67Å; L197-I282 WeakPolarHBondContact CD1-O 3.26Å; L197-I283 HydrophobicContact CD1-CG2 3.85Å; L197-I294 HydrophobicContact CD1-CD1 4.32Å |
| 198 | Y | 98.8 | Very high | 98.5 | Very high | 9 Ų | 9 | 19.8 Ų | 19.8 | 4% | 0.035 | 10% | 0.103 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.1 | 99.2 | 175.7 | -61.8 | -86.2 | 0 | 0 | 0 | 109.5 | V196 V200 V209 Q211 E255 R256 P257 I282 I284 | V196-Y198 HydrophobicContact CB-CE2 4.38Å; V196-Y198 HydrophobicContact CG1-CD2 4.29Å; V196-Y198 HydrophobicContact CG1-CE1 4.11Å; V196-Y198 HydrophobicContact CG1-CE2 3.76Å; Y198-V200 PolarHBondContact O-N 3.42Å; Y198-V209 HydrophobicContact CD1-CG1 3.88Å; Y198-V209 HydrophobicContact CG-CG1 4.42Å; Y198-Q211 HydrophobicContact CD1-CG 3.81Å; Y198-Q211 HydrophobicContact CE1-CG 3.68Å; Y198-E255 PolarHBondContact OH-O 2.8Å; Y198-E255 VanDerWaalsContact OH-O 3.06Å; Y198-R256 HydrophobicContact CE1-CB 4.42Å; Y198-R256 HydrophobicContact CE1-CG 4.19Å; Y198-P257 HydrophobicContact CD1-CG 3.72Å; Y198-P257 HydrophobicContact CD2-CG 4.26Å; Y198-P257 HydrophobicContact CE1-CG 4.21Å; Y198-P257 HydrophobicContact CG-CG 3.74Å; Y198-I282 WeakPolarHBondContact CA-O 3.3Å; Y198-I282 WeakPolarHBondContact CB-O 3.42Å; Y198-I282 PolarHBondContact N-O 3.2Å; Y198-I282 PolarHBondContact O-N 3.48Å; Y198-I284 HydrophobicContact CD2-CG1 4.22Å; Y198-I284 HydrophobicContact CE2-CG1 3.87Å |
| 199 | K | 98.7 | Very high | 98.5 | Very high | 23 Ų | 23 | 22 Ų | 22 | 10% | 0.1 | 12% | 0.117 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -78.5 | 108.1 | 172.5 | -68.3 | -160.2 | 145.6 | 48 | 0 | 109.4 | L197 F201 V209 V210 R212 D281 | L197-K199 HydrophobicContact CD2-CG 4.34Å; L197-K199 HydrophobicContact CG-CG 4.26Å; K199-F201 HydrophobicContact CB-CD2 4.46Å; K199-F201 HydrophobicContact CB-CE1 4.48Å; K199-F201 HydrophobicContact CB-CE2 3.99Å; K199-F201 HydrophobicContact CB-CZ 4Å; K199-F201 HydrophobicContact CD-CE1 4.36Å; K199-F201 HydrophobicContact CD-CE2 4.44Å; K199-F201 HydrophobicContact CD-CZ 3.79Å; K199-F201 PolarHBondContact O-N 2.9Å; K199-V209 CarbonylContact O-C 3.5Å; K199-V209 WeakPolarHBondContact O-CA 3.08Å; K199-V210 WeakPolarHBondContact CB-O 3.49Å; K199-V210 PolarHBondContact N-O 2.76Å; K199-V210 PolarHBondContact O-N 3.48Å; K199-R212 HydrophobicContact CD-CG 3.83Å; K199-R212 HydrophobicContact CG-CG 3.9Å; K199-D281 VanDerWaalsContact CE-OD1 3.3Å; K199-D281 WeakPolarHBondContact CE-OD1 3.35Å; K199-D281 VanDerWaalsContact CE-OD2 3.32Å; K199-D281 WeakPolarHBondContact CE-OD2 3.44Å; K199-D281 WeakPolarHBondContact CG-OD1 3.4Å; K199-D281 IonicContact NZ-OD1 3.47Å; K199-D281 IonicContact NZ-OD2 2.87Å; K199-D281 PolarHBondContact NZ-OD2 3.47Å |
| 200 | V | 98.8 | Very high | 98.5 | Very high | 0 Ų | 0 | 21.9 Ų | 21.9 | 0% | 0 | 12% | 0.117 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.9 | 105.5 | 170.8 | -176.9 | 0 | 0 | 0 | 0 | 107.6 | Y198 V202 Y207 V209 I262 G279 I280 I282 | Y198-V200 PolarHBondContact O-N 3.42Å; V200-V202 HydrophobicContact CG1-CG2 4Å; V200-Y207 HydrophobicContact CG1-CD2 3.81Å; V200-Y207 HydrophobicContact CG1-CG 4.06Å; V200-V209 HydrophobicContact CG2-CG2 4.27Å; V200-I262 HydrophobicContact CB-CG2 4.43Å; V200-I262 HydrophobicContact CG1-CG2 3.49Å; V200-I262 VanDerWaalsContact CG1-CG2 3.49Å; V200-I262 HydrophobicContact CG2-CD1 3.93Å; V200-I262 HydrophobicContact CG2-CG1 4.08Å; V200-I262 HydrophobicContact CG2-CG2 4.12Å; V200-G279 CarbonylContact O-C 3.49Å; V200-G279 VanDerWaalsContact O-CA 3.23Å; V200-G279 WeakPolarHBondContact O-CA 3.38Å; V200-I280 HydrophobicContact CB-CD1 4.27Å; V200-I280 HydrophobicContact CB-CG1 3.59Å; V200-I280 HydrophobicContact CG1-CD1 4.46Å; V200-I280 HydrophobicContact CG1-CG1 4.17Å; V200-I280 HydrophobicContact CG2-CG1 4.09Å; V200-I280 PolarHBondContact N-O 3.27Å; V200-I280 PolarHBondContact O-N 2.87Å; V200-I282 HydrophobicContact CG2-CD1 3.71Å; V200-I282 HydrophobicContact CG2-CG1 4.21Å |
| 201 | F | 98.8 | Very high | 98.5 | Very high | 9 Ų | 9 | 25.4 Ų | 25.4 | 4% | 0.039 | 13% | 0.134 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.5 | 113.5 | 174.2 | -70.3 | -56.6 | 0 | 0 | 0 | 109.7 | K199 Y207 T208 V210 P300 Y302 V305 | K199-F201 HydrophobicContact CB-CD2 4.46Å; K199-F201 HydrophobicContact CB-CE1 4.48Å; K199-F201 HydrophobicContact CB-CE2 3.99Å; K199-F201 HydrophobicContact CB-CZ 4Å; K199-F201 HydrophobicContact CD-CE1 4.36Å; K199-F201 HydrophobicContact CD-CE2 4.44Å; K199-F201 HydrophobicContact CD-CZ 3.79Å; K199-F201 PolarHBondContact O-N 2.9Å; F201-Y207 CarbonylContact O-C 3.6Å; F201-Y207 WeakPolarHBondContact O-CA 3.36Å; F201-Y207 WeakPolarHBondContact O-CB 3.25Å; F201-T208 PolarHBondContact N-O 3.29Å; F201-T208 PolarHBondContact O-N 3.44Å; F201-V210 HydrophobicContact CD2-CB 4.23Å; F201-V210 HydrophobicContact CD2-CG2 3.78Å; F201-V210 HydrophobicContact CE2-CB 3.95Å; F201-V210 HydrophobicContact CE2-CG2 3.84Å; F201-P300 HydrophobicContact CD1-CB 4.18Å; F201-P300 HydrophobicContact CD1-CG 3.54Å; F201-P300 HydrophobicContact CE1-CB 3.84Å; F201-P300 HydrophobicContact CE1-CG 3.74Å; F201-Y302 HydrophobicContact CB-CD1 3.59Å; F201-Y302 HydrophobicContact CB-CE1 3.77Å; F201-Y302 HydrophobicContact CD1-CD1 4.02Å; F201-Y302 HydrophobicContact CD1-CE1 4.3Å; F201-Y302 AromaticContact CG-CD1 3.9Å; F201-Y302 HydrophobicContact CG-CD1 3.9Å; F201-Y302 HydrophobicContact CG-CE1 4.35Å; F201-V305 HydrophobicContact CB-CG2 3.86Å; F201-V305 HydrophobicContact CD2-CG2 3.36Å; F201-V305 HydrophobicContact CE2-CG2 4.19Å; F201-V305 HydrophobicContact CG-CG2 3.9Å |
| 202 | V | 98.9 | Very high | 98.5 | Very high | 0 Ų | 0 | 24.9 Ų | 24.9 | 0% | 0 | 13% | 0.13 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.8 | 130.2 | -177.3 | -176.3 | 0 | 0 | 0 | 0 | 109.9 | V200 G204 S266 F278 Y302 | V200-V202 HydrophobicContact CG1-CG2 4Å; V202-G204 WeakPolarHBondContact CG1-O 3.32Å; V202-S266 WeakPolarHBondContact CG1-OG 3.46Å; V202-F278 WeakPolarHBondContact CA-O 3.36Å; V202-F278 HydrophobicContact CB-CD1 3.95Å; V202-F278 HydrophobicContact CB-CE1 3.61Å; V202-F278 HydrophobicContact CB-CE2 4.25Å; V202-F278 HydrophobicContact CB-CG 4.38Å; V202-F278 HydrophobicContact CB-CZ 3.79Å; V202-F278 HydrophobicContact CG1-CD1 4.11Å; V202-F278 HydrophobicContact CG1-CE1 3.41Å; V202-F278 VanDerWaalsContact CG1-CE1 3.41Å; V202-F278 HydrophobicContact CG1-CZ 3.76Å; V202-F278 HydrophobicContact CG2-CD2 4.47Å; V202-F278 HydrophobicContact CG2-CE1 4.12Å; V202-F278 HydrophobicContact CG2-CE2 3.94Å; V202-F278 HydrophobicContact CG2-CZ 3.75Å; V202-F278 PolarHBondContact N-O 3.33Å; V202-F278 PolarHBondContact O-N 2.99Å; V202-F278 VanDerWaalsContact O-O 3.11Å; V202-Y302 PolarHBondContact O-OH 2.9Å |
| 203 | V | 98.8 | Very high | 98.5 | Very high | 2 Ų | 2 | 25.7 Ų | 25.7 | 1% | 0.012 | 14% | 0.136 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.4 | 86.2 | 172.8 | -174.1 | 0 | 0 | 0 | 0 | 107.2 | E205 S206 L277 Y302 F308 D311 L312 H315 | V203-E205 PolarHBondContact O-N 3.4Å; V203-E205 VanDerWaalsContact O-N 3.15Å; V203-S206 CarbonylContact C-O 3.51Å; V203-S206 PolarHBondContact N-O 3.15Å; V203-S206 PolarHBondContact O-N 3.05Å; V203-S206 VanDerWaalsContact O-N 3.08Å; V203-L277 HydrophobicContact CG1-CD2 3.85Å; V203-Y302 HydrophobicContact CG2-CD1 4.13Å; V203-Y302 HydrophobicContact CG2-CE1 3.48Å; V203-Y302 VanDerWaalsContact CG2-CE1 3.48Å; V203-F308 HydrophobicContact CG2-CD2 3.8Å; V203-F308 HydrophobicContact CG2-CE2 4Å; V203-D311 HydrophobicContact CB-CB 3.94Å; V203-D311 HydrophobicContact CG1-CB 3.86Å; V203-D311 HydrophobicContact CG2-CB 4.4Å; V203-L312 HydrophobicContact CG1-CB 4.12Å; V203-L312 HydrophobicContact CG1-CD1 4.44Å; V203-H315 HydrophobicContact CG1-CB 4.37Å |
| 204 | G | 97.8 | Very high | 98.5 | Very high | 0 Ų | 0 | 25.5 Ų | 25.5 | 0% | 0 | 14% | 0.136 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 60.9 | -116.1 | -176.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | V202 S206 R270 S276 H315 | V202-G204 WeakPolarHBondContact CG1-O 3.32Å; G204-S206 VanDerWaalsContact C-N 3.3Å; G204-R270 WeakPolarHBondContact O-CD 3.35Å; G204-R270 PolarHBondContact O-NE 3.05Å; G204-R270 VanDerWaalsContact O-NE 3.11Å; G204-S276 PolarHBondContact N-O 3.07Å; G204-H315 VanDerWaalsContact CA-ND1 3.31Å; G204-H315 WeakPolarHBondContact CA-ND1 3.44Å |
| 205 | E | 96.3 | Very high | 98.5 | Very high | 89 Ų | 89 | 26 Ų | 26 | 42% | 0.416 | 14% | 0.138 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -78.4 | -15.3 | -178.6 | -61.6 | 69.5 | -146.5 | 0 | 0 | 113.2 | V203 H315 T318 | V203-E205 PolarHBondContact O-N 3.4Å; V203-E205 VanDerWaalsContact O-N 3.15Å; E205-H315 IonicContact OE1-CE1 2.74Å; E205-H315 IonicContact OE1-ND1 3.8Å; E205-H315 PolarHBondContact OE1-ND1 3.39Å; E205-H315 IonicContact OE2-CE1 2.69Å; E205-H315 IonicContact OE2-CG 3.64Å; E205-H315 IonicContact OE2-ND1 2.62Å; E205-H315 PolarHBondContact OE2-ND1 3.12Å; E205-T318 HydrophobicContact CG-CG2 4.36Å; E205-T318 WeakPolarHBondContact OE1-CG2 3.36Å |
| 206 | S | 98.3 | Very high | 98.5 | Very high | 43 Ų | 43 | 26.8 Ų | 26.8 | 30% | 0.301 | 14% | 0.14 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.1 | 154.5 | -178.6 | -56.5 | 0 | 0 | 0 | 0 | 111.1 | V203 G204 | V203-S206 CarbonylContact C-O 3.51Å; V203-S206 PolarHBondContact N-O 3.15Å; V203-S206 PolarHBondContact O-N 3.05Å; V203-S206 VanDerWaalsContact O-N 3.08Å; G204-S206 VanDerWaalsContact C-N 3.3Å |
| 207 | Y | 98.7 | Very high | 98.4 | Very high | 49 Ų | 49 | 26.1 Ų | 26.1 | 19% | 0.192 | 14% | 0.135 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.7 | 157.3 | 169.2 | 68.8 | -87.9 | 0 | 0 | 0 | 111 | V200 F201 V209 D259 I262 R263 | V200-Y207 HydrophobicContact CG1-CD2 3.81Å; V200-Y207 HydrophobicContact CG1-CG 4.06Å; F201-Y207 CarbonylContact O-C 3.6Å; F201-Y207 WeakPolarHBondContact O-CA 3.36Å; F201-Y207 WeakPolarHBondContact O-CB 3.25Å; Y207-V209 HydrophobicContact CD2-CG2 4.05Å; Y207-V209 HydrophobicContact CE2-CG2 3.93Å; Y207-D259 WeakPolarHBondContact OH-CB 3.3Å; Y207-D259 PolarHBondContact OH-O 2.92Å; Y207-D259 PolarHBondContact OH-OD1 2.91Å; Y207-I262 HydrophobicContact CD1-CG2 4.15Å; Y207-I262 HydrophobicContact CD2-CG2 3.6Å; Y207-I262 HydrophobicContact CE1-CG2 4.06Å; Y207-I262 HydrophobicContact CE2-CB 4.19Å; Y207-I262 HydrophobicContact CE2-CD1 4.34Å; Y207-I262 HydrophobicContact CE2-CG2 3.48Å; Y207-I262 VanDerWaalsContact CE2-CG2 3.48Å; Y207-I262 HydrophobicContact CG-CG2 3.94Å; Y207-R263 HydrophobicContact CE1-CG 3.58Å |
| 208 | T | 98.8 | Very high | 98.4 | Very high | 44 Ų | 44 | 26.6 Ų | 26.6 | 27% | 0.27 | 14% | 0.137 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.9 | 133.6 | 171.4 | -65.1 | 0 | 0 | 0 | 0 | 109.5 | F201 V210 V305 | F201-T208 PolarHBondContact N-O 3.29Å; F201-T208 PolarHBondContact O-N 3.44Å; T208-V210 HydrophobicContact CG2-CG2 4.19Å; T208-V305 HydrophobicContact CG2-CG1 4.28Å; T208-V305 HydrophobicContact CG2-CG2 4.06Å |
| 209 | V | 98.8 | Very high | 98 | Very high | 51 Ų | 51 | 29.6 Ų | 29.6 | 31% | 0.309 | 16% | 0.16 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.6 | 123.7 | 175.6 | -171.4 | 0 | 0 | 0 | 0 | 109.5 | Y198 K199 V200 Y207 P257 I262 | Y198-V209 HydrophobicContact CD1-CG1 3.88Å; Y198-V209 HydrophobicContact CG-CG1 4.42Å; K199-V209 CarbonylContact O-C 3.5Å; K199-V209 WeakPolarHBondContact O-CA 3.08Å; V200-V209 HydrophobicContact CG2-CG2 4.27Å; Y207-V209 HydrophobicContact CD2-CG2 4.05Å; Y207-V209 HydrophobicContact CE2-CG2 3.93Å; V209-P257 HydrophobicContact CG1-CG 4.36Å; V209-I262 HydrophobicContact CG2-CD1 3.75Å |
| 210 | V | 98.6 | Very high | 97.4 | Very high | 21 Ų | 21 | 32 Ų | 32 | 13% | 0.127 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.1 | 119.3 | 175.7 | -179.9 | 0 | 0 | 0 | 0 | 108.7 | K199 F201 T208 V305 | K199-V210 WeakPolarHBondContact CB-O 3.49Å; K199-V210 PolarHBondContact N-O 2.76Å; K199-V210 PolarHBondContact O-N 3.48Å; F201-V210 HydrophobicContact CD2-CB 4.23Å; F201-V210 HydrophobicContact CD2-CG2 3.78Å; F201-V210 HydrophobicContact CE2-CB 3.95Å; F201-V210 HydrophobicContact CE2-CG2 3.84Å; T208-V210 HydrophobicContact CG2-CG2 4.19Å; V210-V305 HydrophobicContact CG2-CG2 4.09Å |
| 211 | Q | 98.4 | Very high | 96.8 | Very high | 99 Ų | 99 | 33.6 Ų | 33.6 | 46% | 0.463 | 20% | 0.2 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -69.6 | 142 | 172.5 | -74.1 | -174.6 | -24.2 | 0 | 0 | 110.7 | V196 L197 Y198 | V196-Q211 HydrophobicContact CG1-CB 4.49Å; V196-Q211 HydrophobicContact CG1-CG 4.1Å; L197-Q211 CarbonylContact O-C 3.38Å; L197-Q211 WeakPolarHBondContact O-CA 3.41Å; Y198-Q211 HydrophobicContact CD1-CG 3.81Å; Y198-Q211 HydrophobicContact CE1-CG 3.68Å |
| 212 | R | 98.1 | Very high | 96.3 | Very high | 15 Ų | 15 | 37.9 Ų | 37.9 | 6% | 0.057 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.9 | 154.7 | 174.7 | -64.3 | -61.5 | 180 | 82.2 | -1.4 | 110.8 | L197 K199 S236 E303 | L197-R212 HydrophobicContact CB-CB 4.33Å; L197-R212 HydrophobicContact CD2-CB 4.46Å; L197-R212 PolarHBondContact N-O 3.05Å; L197-R212 PolarHBondContact O-N 2.77Å; K199-R212 HydrophobicContact CD-CG 3.83Å; K199-R212 HydrophobicContact CG-CG 3.9Å; R212-S236 PolarHBondContact NH1-O 2.87Å; R212-E303 PolarHBondContact NH2-O 3.02Å |
| 213 | P | 98.2 | Very high | 96 | Very high | 35 Ų | 35 | 39 Ų | 39 | 23% | 0.227 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -53.7 | 145.3 | 163.2 | -20.9 | 32.7 | 0 | 0 | 0 | 110.8 | V235 S236 K237 S240 T245 | P213-V235 CarbonylContact C-O 3.51Å; P213-V235 WeakPolarHBondContact CB-O 3.42Å; P213-S236 VanDerWaalsContact O-CA 3.28Å; P213-S236 WeakPolarHBondContact O-CA 3.47Å; P213-S236 VanDerWaalsContact O-CB 3.32Å; P213-S236 WeakPolarHBondContact O-CB 3.1Å; P213-S236 PolarHBondContact O-OG 3.29Å; P213-K237 WeakPolarHBondContact CD-O 3.34Å; P213-S240 VanDerWaalsContact CG-O 3.25Å; P213-S240 WeakPolarHBondContact CG-O 3.4Å; P213-T245 HydrophobicContact CB-CG2 4.23Å |
| 214 | S | 98.6 | Very high | 95.7 | Very high | 5 Ų | 5 | 46.5 Ų | 46.5 | 4% | 0.035 | 28% | 0.275 | C | S | . | . | trans | -146.6 | 171.2 | 179.2 | -159.6 | 0 | 0 | 0 | 0 | 110.6 | H193 A195 K216 T245 | H193-S214 WeakPolarHBondContact NE2-CB 3.49Å; H193-S214 PolarHBondContact NE2-OG 3.21Å; A195-S214 WeakPolarHBondContact O-CB 3.37Å; A195-S214 PolarHBondContact O-N 3.41Å; S214-K216 PolarHBondContact O-N 3.02Å; S214-T245 VanDerWaalsContact O-CA 3.25Å; S214-T245 WeakPolarHBondContact O-CA 3.33Å; S214-T245 WeakPolarHBondContact O-CB 3.21Å | ||
| 215 | L | 98.6 | Very high | 95.6 | Very high | 12 Ų | 12 | 50.7 Ų | 50.7 | 6% | 0.063 | 29% | 0.291 | C | S | . | . | P | Polyproline II helix | trans | -59.8 | 135.3 | -180 | -63.9 | 167.2 | 0 | 0 | 0 | 111.1 | I155 I171 F190 H193 A195 F230 V235 L244 | I155-L215 HydrophobicContact CD1-CD1 4.26Å; I171-L215 HydrophobicContact CD1-CD1 3.99Å; F190-L215 HydrophobicContact CE2-CB 3.91Å; F190-L215 HydrophobicContact CE2-CD1 3.77Å; F190-L215 HydrophobicContact CE2-CG 4.48Å; F190-L215 HydrophobicContact CZ-CB 3.94Å; H193-L215 PolarHBondContact CE1-O 2.92Å; H193-L215 PolarHBondContact NE2-O 3.29Å; A195-L215 WeakPolarHBondContact CA-O 3.25Å; L215-F230 HydrophobicContact CD1-CE1 4.18Å; L215-F230 HydrophobicContact CD1-CE2 4.21Å; L215-F230 HydrophobicContact CD1-CZ 3.62Å; L215-F230 HydrophobicContact CD2-CE1 4.49Å; L215-F230 HydrophobicContact CD2-CE2 4.26Å; L215-F230 HydrophobicContact CD2-CZ 4.21Å; L215-F230 HydrophobicContact CG-CZ 4.45Å; L215-V235 HydrophobicContact CD2-CG1 3.72Å; L215-V235 HydrophobicContact CD2-CG2 4.04Å; L215-V235 HydrophobicContact CG-CG1 3.81Å; L215-L244 CarbonylContact C-O 3.46Å; L215-L244 WeakPolarHBondContact CA-O 3.13Å; L215-L244 HydrophobicContact CD2-CB 4.09Å |
| 216 | K | 98.3 | Very high | 95.6 | Very high | 29 Ų | 29 | 54.7 Ų | 54.7 | 13% | 0.126 | 31% | 0.31 | C | S | . | . | P | Polyproline II helix | trans | -62.3 | 167.6 | 174.9 | 68.5 | -178 | -71.9 | 156 | 0 | 112.2 | F190 S214 F218 V243 L244 E246 D248 | F190-K216 WeakPolarHBondContact CZ-O 3.18Å; S214-K216 PolarHBondContact O-N 3.02Å; K216-F218 HydrophobicContact CD-CE1 4.47Å; K216-F218 HydrophobicContact CG-CE1 4.08Å; K216-F218 HydrophobicContact CG-CZ 4.04Å; K216-V243 WeakPolarHBondContact CD-O 3.46Å; K216-L244 PolarHBondContact N-O 3.28Å; K216-E246 WeakPolarHBondContact CE-O 3.32Å; K216-E246 PolarHBondContact NZ-O 3.17Å; K216-E246 VanDerWaalsContact NZ-O 3.14Å; K216-D248 WeakPolarHBondContact CE-OD2 3.33Å; K216-D248 IonicContact NZ-OD1 2.85Å; K216-D248 PolarHBondContact NZ-OD1 3.47Å; K216-D248 IonicContact NZ-OD2 2.81Å; K216-D248 PolarHBondContact NZ-OD2 3.2Å |
| 217 | N | 98.5 | Very high | 95.6 | Very high | 10 Ų | 10 | 53.5 Ų | 53.5 | 5% | 0.053 | 30% | 0.302 | C | S | . | . | P | Polyproline II helix | trans | -67.6 | 148.6 | 172 | -62.3 | -13.2 | 0 | 0 | 0 | 111 | N192 H193 N194 L247 E251 N286 | N192-N217 HydrophobicContact CB-CB 4.34Å; N192-N217 VanDerWaalsContact OD1-CA 3.26Å; N192-N217 WeakPolarHBondContact OD1-CA 3.32Å; H193-N217 PolarHBondContact N-OD1 3.29Å; N194-N217 WeakPolarHBondContact CA-OD1 3.33Å; N194-N217 PolarHBondContact N-OD1 3.33Å; N194-N217 PolarHBondContact OD1-ND2 3.49Å; N217-L247 HydrophobicContact CB-CD1 4.38Å; N217-E251 PolarHBondContact ND2-OE2 3.33Å; N217-E251 VanDerWaalsContact ND2-OE2 3.16Å; N217-N286 PolarHBondContact ND2-ND2 2.86Å |
| 218 | F | 97.1 | Very high | 95.5 | Very high | 13 Ų | 13 | 53 Ų | 53 | 6% | 0.057 | 30% | 0.302 | C | S | . | . | trans | -123.2 | 157.1 | 169.8 | -62.6 | -67.4 | 0 | 0 | 0 | 110.5 | P153 I171 F173 F190 N192 K216 A220 R225 I228 | P153-F218 HydrophobicContact CG-CB 4.39Å; I171-F218 HydrophobicContact CD1-CD2 4.36Å; I171-F218 HydrophobicContact CD1-CE2 3.46Å; I171-F218 VanDerWaalsContact CD1-CE2 3.46Å; I171-F218 HydrophobicContact CD1-CZ 3.91Å; F173-F218 HydrophobicContact CE1-CB 3.84Å; F173-F218 AromaticContact CE1-CD1 3.89Å; F173-F218 HydrophobicContact CE1-CD1 3.89Å; F173-F218 HydrophobicContact CE1-CD2 4.09Å; F173-F218 HydrophobicContact CE1-CE1 4.46Å; F173-F218 AromaticContact CE1-CG 3.66Å; F173-F218 HydrophobicContact CE1-CG 3.66Å; F173-F218 AromaticContact CZ-CD1 3.94Å; F173-F218 HydrophobicContact CZ-CD1 3.94Å; F173-F218 HydrophobicContact CZ-CD2 4.17Å; F173-F218 HydrophobicContact CZ-CE1 4.05Å; F173-F218 HydrophobicContact CZ-CE2 4.32Å; F173-F218 AromaticContact CZ-CG 3.99Å; F173-F218 HydrophobicContact CZ-CG 3.99Å; F173-F218 HydrophobicContact CZ-CZ 4.24Å; F190-F218 HydrophobicContact CD1-CD2 4.1Å; F190-F218 HydrophobicContact CD2-CD2 4.49Å; F190-F218 AromaticContact CE1-CD2 3.56Å; F190-F218 HydrophobicContact CE1-CD2 3.56Å; F190-F218 HydrophobicContact CE1-CE2 4.2Å; F190-F218 AromaticContact CE2-CD2 3.99Å; F190-F218 HydrophobicContact CE2-CD2 3.99Å; F190-F218 AromaticContact CE2-CE2 3.89Å; F190-F218 HydrophobicContact CE2-CE2 3.89Å; F190-F218 AromaticContact CZ-CD2 3.5Å; F190-F218 HydrophobicContact CZ-CD2 3.5Å; F190-F218 VanDerWaalsContact CZ-CD2 3.5Å; F190-F218 AromaticContact CZ-CE2 3.65Å; F190-F218 HydrophobicContact CZ-CE2 3.65Å; N192-F218 PolarHBondContact ND2-O 2.96Å; N192-F218 PolarHBondContact OD1-N 2.92Å; N192-F218 PolarHBondContact OD1-O 3.16Å; K216-F218 HydrophobicContact CD-CE1 4.47Å; K216-F218 HydrophobicContact CG-CE1 4.08Å; K216-F218 HydrophobicContact CG-CZ 4.04Å; F218-A220 PolarHBondContact O-N 3.21Å; F218-R225 VanDerWaalsContact CD1-NH1 3.26Å; F218-I228 HydrophobicContact CE1-CD1 3.86Å; F218-I228 HydrophobicContact CZ-CD1 3.91Å | ||
| 219 | S | 91.6 | Very high | 95.4 | Very high | 73 Ų | 73 | 57.2 Ų | 57.2 | 51% | 0.51 | 32% | 0.317 | S | S | . | . | trans | -54.9 | 131.3 | 172.2 | -55.3 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 220 | A | 85.4 | Confident | 95.3 | Very high | 74 Ų | 74 | 55.6 Ų | 55.6 | 61% | 0.612 | 31% | 0.305 | S | S | * | . | S | Bend | trans | -68 | 144.8 | 176 | 0 | 0 | 0 | 0 | 0 | 110.6 | F218 | F218-A220 PolarHBondContact O-N 3.21Š|
| 221 | G | 86.7 | Confident | 95.2 | Very high | 33 Ų | 33 | 56.2 Ų | 56.2 | 34% | 0.34 | 31% | 0.308 | S | S | . | . | S | Bend | trans | 81.5 | -169.2 | -179.7 | 0 | 0 | 0 | 0 | 0 | 113.7 | F152 | F152-G221 CarbonylContact O-C 3.28Å; F152-G221 WeakPolarHBondContact O-CA 3.33Å; F152-G221 PolarHBondContact O-N 2.89Å |
| 222 | T | 88.4 | Confident | 94.9 | Very high | 99 Ų | 99 | 52.7 Ų | 52.7 | 61% | 0.607 | 29% | 0.294 | S | S | * | . | trans | -64.1 | 134.6 | -179.4 | -51.1 | 0 | 0 | 0 | 0 | 111 | F173 N174 | F173-T222 WeakPolarHBondContact O-CA 3.26Å; N174-T222 HydrophobicContact CB-CG2 3.67Å | ||
| 223 | S | 92.8 | Very high | 94.5 | Very high | 24 Ų | 24 | 55.6 Ų | 55.6 | 17% | 0.168 | 31% | 0.308 | C | S | . | . | trans | -133 | 135.7 | 174.2 | 174.9 | 0 | 0 | 0 | 0 | 109.4 | F173 N174 R225 | F173-S223 PolarHBondContact O-N 3.03Å; N174-S223 PolarHBondContact ND2-O 3.01Å; S223-R225 PolarHBondContact O-N 2.86Å; S223-R225 PolarHBondContact OG-NE 3.18Å | ||
| 224 | D | 92.6 | Very high | 94.2 | Very high | 159 Ų | 159 | 59 Ų | 59 | 85% | 0.85 | 33% | 0.325 | S | S | * | . | S | Bend | trans | -69.4 | 12.6 | -179.6 | -57.3 | -22.4 | 0 | 0 | 0 | 114.3 | ||
| 225 | R | 94.7 | Very high | 94 | Very high | 87 Ų | 87 | 59 Ų | 59 | 33% | 0.328 | 32% | 0.324 | S | S | . | . | S | Bend | trans | -78.5 | 154.9 | 177.6 | 71.4 | 179.2 | 73.1 | -168.1 | -2.3 | 111.3 | F173 N174 F218 S223 | F173-R225 HydrophobicContact CB-CG 3.65Å; F173-R225 HydrophobicContact CD1-CG 3.96Å; F173-R225 HydrophobicContact CD2-CG 3.51Å; F173-R225 HydrophobicContact CE2-CG 4.14Å; F173-R225 HydrophobicContact CG-CG 3.41Å; F173-R225 VanDerWaalsContact CG-CG 3.41Å; N174-R225 PolarHBondContact ND2-O 3.48Å; F218-R225 VanDerWaalsContact CD1-NH1 3.26Å; S223-R225 PolarHBondContact O-N 2.86Å; S223-R225 PolarHBondContact OG-NE 3.18Å |
| 226 | E | 96.7 | Very high | 93.9 | Very high | 174 Ų | 174 | 59.3 Ų | 59.3 | 81% | 0.813 | 33% | 0.328 | S | S | * | . | P | Polyproline II helix | trans | -66.5 | 153.5 | 171.6 | -64.6 | -178 | -178 | 0 | 0 | 112.1 | ||
| 227 | S | 97.6 | Very high | 93.6 | Very high | 18 Ų | 18 | 61.5 Ų | 61.5 | 13% | 0.126 | 34% | 0.337 | C | S | . | . | P | Polyproline II helix | trans | -61.1 | 139.4 | 171.6 | -63.8 | 0 | 0 | 0 | 0 | 110.9 | I171 G177 | I171-S227 CarbonylContact O-C 3.53Å; I171-S227 WeakPolarHBondContact O-CA 3.26Å; I171-S227 WeakPolarHBondContact O-CB 3.4Å; G177-S227 WeakPolarHBondContact CA-OG 3.06Å; G177-S227 PolarHBondContact O-OG 2.87Å |
| 228 | I | 97.6 | Very high | 93 | Very high | 39 Ų | 39 | 63.5 Ų | 63.5 | 20% | 0.2 | 35% | 0.351 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.2 | 126.8 | 178.9 | -67 | 170.7 | 0 | 0 | 0 | 108.8 | A170 I171 F173 F218 F230 L244 | A170-I228 CarbonylContact C-O 3.49Å; A170-I228 WeakPolarHBondContact CA-O 3.26Å; I171-I228 HydrophobicContact CB-CB 4.43Å; I171-I228 PolarHBondContact N-O 3.2Å; I171-I228 PolarHBondContact O-N 3.47Å; F173-I228 HydrophobicContact CE2-CB 4.33Å; F173-I228 HydrophobicContact CE2-CD1 3.77Å; F173-I228 HydrophobicContact CE2-CG1 3.84Å; F173-I228 HydrophobicContact CZ-CD1 3.83Å; F173-I228 HydrophobicContact CZ-CG1 4.41Å; F218-I228 HydrophobicContact CE1-CD1 3.86Å; F218-I228 HydrophobicContact CZ-CD1 3.91Å; I228-F230 HydrophobicContact CG2-CD1 4.32Å; I228-L244 HydrophobicContact CD1-CD2 4.17Å; I228-L244 HydrophobicContact CG2-CD1 4.13Å; I228-L244 HydrophobicContact CG2-CD2 3.8Å |
| 229 | F | 97.1 | Very high | 92.7 | Very high | 132 Ų | 132 | 71.2 Ų | 71.2 | 58% | 0.579 | 39% | 0.387 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -104.7 | 136.7 | 171.8 | -61.8 | -93.5 | 0 | 0 | 0 | 110.3 | M169 A170 A180 | M169-F229 WeakPolarHBondContact O-CA 3.49Å; A170-F229 HydrophobicContact CB-CD1 3.84Å; A170-F229 HydrophobicContact CB-CE1 3.95Å; A180-F229 HydrophobicContact CB-CE1 3.84Å; A180-F229 HydrophobicContact CB-CE2 4.18Å; A180-F229 HydrophobicContact CB-CZ 3.33Å |
| 230 | F | 96.5 | Very high | 92.8 | Very high | 16 Ų | 16 | 68.5 Ų | 68.5 | 7% | 0.07 | 37% | 0.368 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -156.9 | 155.8 | 179.7 | 69.3 | -81.3 | 0 | 0 | 0 | 112 | I155 M169 I171 L215 I228 V235 L244 | I155-F230 HydrophobicContact CD1-CE1 4.31Å; I155-F230 HydrophobicContact CD1-CZ 3.77Å; M169-F230 HydrophobicContact CB-CD1 4.29Å; M169-F230 HydrophobicContact CB-CE1 3.7Å; M169-F230 HydrophobicContact CB-CE2 3.97Å; M169-F230 HydrophobicContact CB-CZ 3.53Å; M169-F230 HydrophobicContact CG-CE2 4.5Å; M169-F230 HydrophobicContact CG-CZ 4.31Å; M169-F230 PolarHBondContact N-O 2.93Å; M169-F230 PolarHBondContact O-N 2.87Å; M169-F230 HydrophobicContact SD-CE2 4.07Å; M169-F230 HydrophobicContact SD-CZ 3.96Å; I171-F230 HydrophobicContact CD1-CE1 4.13Å; I171-F230 HydrophobicContact CG1-CD1 4.44Å; I171-F230 HydrophobicContact CG1-CE1 3.76Å; L215-F230 HydrophobicContact CD1-CE1 4.18Å; L215-F230 HydrophobicContact CD1-CE2 4.21Å; L215-F230 HydrophobicContact CD1-CZ 3.62Å; L215-F230 HydrophobicContact CD2-CE1 4.49Å; L215-F230 HydrophobicContact CD2-CE2 4.26Å; L215-F230 HydrophobicContact CD2-CZ 4.21Å; L215-F230 HydrophobicContact CG-CZ 4.45Å; I228-F230 HydrophobicContact CG2-CD1 4.32Å; F230-V235 HydrophobicContact CD2-CG2 3.4Å; F230-V235 HydrophobicContact CE2-CG2 3.79Å; F230-V235 HydrophobicContact CG-CG2 4.29Å; F230-L244 HydrophobicContact CB-CD1 3.72Å; F230-L244 HydrophobicContact CG-CD1 4.2Å |
| 231 | N | 95.4 | Very high | 93.2 | Very high | 34 Ų | 34 | 69.7 Ų | 69.7 | 18% | 0.182 | 37% | 0.372 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.3 | 124 | 167.6 | -169.3 | -57 | 0 | 0 | 0 | 110.1 | H167 E168 H233 N234 | H167-N231 WeakPolarHBondContact CB-OD1 3.33Å; H167-N231 CarbonylContact O-C 3.59Å; H167-N231 WeakPolarHBondContact O-CA 3.44Å; E168-N231 PolarHBondContact OE1-ND2 2.89Å; N231-H233 PolarHBondContact O-N 3.44Å; N231-H233 VanDerWaalsContact OD1-CB 3.26Å; N231-H233 WeakPolarHBondContact OD1-CB 3.18Å; N231-H233 PolarHBondContact OD1-N 2.87Å; N231-H233 PolarHBondContact OD1-ND1 3.33Å; N231-N234 PolarHBondContact O-N 2.81Å |
| 232 | S | 93.2 | Very high | 93.6 | Very high | 25 Ų | 25 | 69.8 Ų | 69.8 | 18% | 0.175 | 37% | 0.367 | C | S | . | . | G | 310 helix | trans | -54.3 | -24.9 | 179.6 | 55 | 0 | 0 | 0 | 0 | 114.6 | H167 N234 V235 S236 | H167-S232 VanDerWaalsContact CB-OG 3.31Å; H167-S232 WeakPolarHBondContact CB-OG 3.33Å; H167-S232 PolarHBondContact ND1-OG 2.96Å; H167-S232 PolarHBondContact O-N 3.43Å; H167-S232 PolarHBondContact O-OG 3.32Å; S232-N234 PolarHBondContact O-N 3.34Å; S232-V235 PolarHBondContact O-N 2.71Å; S232-V235 VanDerWaalsContact O-N 3.15Å; S232-S236 PolarHBondContact O-N 2.75Å |
| 233 | H | 88.8 | Confident | 93.9 | Very high | 76 Ų | 76 | 70 Ų | 70 | 35% | 0.352 | 37% | 0.368 | S | S | . | . | G | 310 helix | trans | -64.4 | -26.8 | 173.7 | -80 | 90 | 0 | 0 | 0 | 113.6 | H167 N231 V235 K237 S240 | H167-H233 AromaticContact CD2-CE1 3.26Å; H167-H233 PolarHBondContact CD2-CE1 3.44Å; H167-H233 AromaticContact CD2-ND1 3.58Å; H167-H233 AromaticContact CE1-CE1 3.55Å; H167-H233 AromaticContact CG-CE1 3.4Å; H167-H233 VanDerWaalsContact CG-CE1 3.4Å; H167-H233 AromaticContact CG-ND1 3.31Å; H167-H233 VanDerWaalsContact CG-ND1 3.31Å; H167-H233 AromaticContact ND1-CE1 3.58Å; H167-H233 AromaticContact ND1-ND1 3.69Å; H167-H233 AromaticContact NE2-CE1 3.32Å; H167-H233 PolarHBondContact NE2-CE1 2.97Å; H167-H233 VanDerWaalsContact NE2-CE1 3.32Å; N231-H233 PolarHBondContact O-N 3.44Å; N231-H233 VanDerWaalsContact OD1-CB 3.26Å; N231-H233 WeakPolarHBondContact OD1-CB 3.18Å; N231-H233 PolarHBondContact OD1-N 2.87Å; N231-H233 PolarHBondContact OD1-ND1 3.33Å; H233-V235 VanDerWaalsContact C-N 3.31Å; H233-K237 WeakPolarHBondContact CD2-CE 3.44Å; H233-K237 PolarHBondContact CD2-NZ 3.02Å; H233-K237 PolarHBondContact NE2-NZ 2.92Å; H233-K237 WeakPolarHBondContact O-CG 3.3Å; H233-S240 PolarHBondContact O-OG 2.85Å |
| 234 | N | 91.9 | Very high | 94 | Very high | 107 Ų | 107 | 70.5 Ų | 70.5 | 57% | 0.572 | 37% | 0.369 | S | S | * | . | G | 310 helix | trans | -83.7 | -10.3 | 176.8 | -60.1 | 117.9 | 0 | 0 | 0 | 112.7 | N231 S232 S240 | N231-N234 PolarHBondContact O-N 2.81Å; S232-N234 PolarHBondContact O-N 3.34Å; N234-S240 VanDerWaalsContact C-OG 3.28Å; N234-S240 VanDerWaalsContact O-CB 3.27Å; N234-S240 WeakPolarHBondContact O-CB 3.49Å; N234-S240 PolarHBondContact O-OG 2.84Å; N234-S240 VanDerWaalsContact O-OG 3.09Å |
| 235 | V | 95.6 | Very high | 94.3 | Very high | 4 Ų | 4 | 63.8 Ų | 63.8 | 2% | 0.024 | 33% | 0.333 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -101.4 | -44.5 | -173.5 | 178 | 0 | 0 | 0 | 0 | 112.9 | P213 L215 F230 S232 H233 S240 T245 | P213-V235 CarbonylContact C-O 3.51Å; P213-V235 WeakPolarHBondContact CB-O 3.42Å; L215-V235 HydrophobicContact CD2-CG1 3.72Å; L215-V235 HydrophobicContact CD2-CG2 4.04Å; L215-V235 HydrophobicContact CG-CG1 3.81Å; F230-V235 HydrophobicContact CD2-CG2 3.4Å; F230-V235 HydrophobicContact CE2-CG2 3.79Å; F230-V235 HydrophobicContact CG-CG2 4.29Å; S232-V235 PolarHBondContact O-N 2.71Å; S232-V235 VanDerWaalsContact O-N 3.15Å; H233-V235 VanDerWaalsContact C-N 3.31Å; V235-S240 VanDerWaalsContact C-CB 3.47Å; V235-S240 VanDerWaalsContact O-CB 3.22Å; V235-S240 WeakPolarHBondContact O-CB 3.49Å; V235-T245 HydrophobicContact CB-CG2 4.39Å; V235-T245 HydrophobicContact CG1-CG2 3.84Å; V235-T245 WeakPolarHBondContact O-CG2 3.44Å |
| 236 | S | 94.8 | Very high | 94.3 | Very high | 20 Ų | 20 | 64.6 Ų | 64.6 | 14% | 0.14 | 34% | 0.341 | C | S | . | . | S | Bend | trans | -127.8 | 30.2 | -166.3 | -63 | 0 | 0 | 0 | 0 | 115.8 | R212 P213 S232 S240 | R212-S236 PolarHBondContact NH1-O 2.87Å; P213-S236 VanDerWaalsContact O-CA 3.28Å; P213-S236 WeakPolarHBondContact O-CA 3.47Å; P213-S236 VanDerWaalsContact O-CB 3.32Å; P213-S236 WeakPolarHBondContact O-CB 3.1Å; P213-S236 PolarHBondContact O-OG 3.29Å; S232-S236 PolarHBondContact O-N 2.75Å; S236-S240 PolarHBondContact N-OG 3.43Å |
| 237 | K | 91.8 | Very high | 94.3 | Very high | 75 Ų | 75 | 58.8 Ų | 58.8 | 33% | 0.326 | 32% | 0.315 | S | S | . | . | S | Bend | trans | -88.5 | 163.3 | 165.6 | -64.2 | -59 | -171.2 | -161.9 | 0 | 110.5 | P213 H233 E239 S240 | P213-K237 WeakPolarHBondContact CD-O 3.34Å; H233-K237 WeakPolarHBondContact CD2-CE 3.44Å; H233-K237 PolarHBondContact CD2-NZ 3.02Å; H233-K237 PolarHBondContact NE2-NZ 2.92Å; H233-K237 WeakPolarHBondContact O-CG 3.3Å; K237-E239 VanDerWaalsContact C-N 3.28Å; K237-E239 PolarHBondContact O-N 3.4Å; K237-S240 WeakPolarHBondContact CB-OG 3.21Å; K237-S240 PolarHBondContact N-OG 3.44Å; K237-S240 VanDerWaalsContact O-CB 3.31Å; K237-S240 WeakPolarHBondContact O-CB 3.46Å; K237-S240 PolarHBondContact O-N 2.87Å; K237-S240 VanDerWaalsContact O-N 3.1Å; K237-S240 PolarHBondContact O-OG 2.92Å |
| 238 | P | 86.9 | Confident | 94.2 | Very high | 51 Ų | 51 | 64 Ų | 64 | 33% | 0.331 | 34% | 0.342 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -52.4 | -44.7 | -175.6 | -28 | 36.4 | 0 | 0 | 0 | 113.6 | E303 | P238-E303 WeakPolarHBondContact CG-OE2 3.37Š|
| 239 | E | 91.2 | Very high | 94.2 | Very high | 176 Ų | 176 | 68.6 Ų | 68.6 | 82% | 0.822 | 36% | 0.36 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -97.7 | 15.1 | -177.6 | -48.8 | -52 | 131.5 | 0 | 0 | 113.2 | K237 S241 | K237-E239 VanDerWaalsContact C-N 3.28Å; K237-E239 PolarHBondContact O-N 3.4Å; E239-S241 PolarHBondContact O-N 2.87Å |
| 240 | S | 92.8 | Very high | 94.2 | Very high | 15 Ų | 15 | 67.1 Ų | 67.1 | 11% | 0.105 | 36% | 0.357 | C | S | . | . | trans | -65.2 | 122.1 | 178.2 | -78.4 | 0 | 0 | 0 | 0 | 110.2 | P213 H233 N234 V235 S236 K237 | P213-S240 VanDerWaalsContact CG-O 3.25Å; P213-S240 WeakPolarHBondContact CG-O 3.4Å; H233-S240 PolarHBondContact O-OG 2.85Å; N234-S240 VanDerWaalsContact C-OG 3.28Å; N234-S240 VanDerWaalsContact O-CB 3.27Å; N234-S240 WeakPolarHBondContact O-CB 3.49Å; N234-S240 PolarHBondContact O-OG 2.84Å; N234-S240 VanDerWaalsContact O-OG 3.09Å; V235-S240 VanDerWaalsContact C-CB 3.47Å; V235-S240 VanDerWaalsContact O-CB 3.22Å; V235-S240 WeakPolarHBondContact O-CB 3.49Å; S236-S240 PolarHBondContact N-OG 3.43Å; K237-S240 WeakPolarHBondContact CB-OG 3.21Å; K237-S240 PolarHBondContact N-OG 3.44Å; K237-S240 VanDerWaalsContact O-CB 3.31Å; K237-S240 WeakPolarHBondContact O-CB 3.46Å; K237-S240 PolarHBondContact O-N 2.87Å; K237-S240 VanDerWaalsContact O-N 3.1Å; K237-S240 PolarHBondContact O-OG 2.92Å | ||
| 241 | S | 93.6 | Very high | 94.3 | Very high | 99 Ų | 99 | 69.8 Ų | 69.8 | 69% | 0.692 | 37% | 0.37 | S | S | * | . | trans | -144.3 | 120.7 | 176.1 | 176.7 | 0 | 0 | 0 | 0 | 108.5 | E239 | E239-S241 PolarHBondContact O-N 2.87Š| ||
| 242 | S | 95 | Very high | 94.4 | Very high | 35 Ų | 35 | 71.5 Ų | 71.5 | 25% | 0.245 | 40% | 0.396 | C | S | . | . | S | Bend | trans | -159.8 | 167.7 | 175.6 | 69.2 | 0 | 0 | 0 | 0 | 109.9 | L244 T245 E246 | S242-L244 PolarHBondContact O-N 2.76Å; S242-L244 PolarHBondContact OG-N 2.83Å; S242-T245 PolarHBondContact N-OG1 3.36Å; S242-T245 VanDerWaalsContact N-OG1 3.17Å; S242-T245 PolarHBondContact O-N 2.96Å; S242-T245 PolarHBondContact O-OG1 3.1Å; S242-E246 WeakPolarHBondContact O-CG 3.33Å; S242-E246 PolarHBondContact O-N 3.19Å; S242-E246 VanDerWaalsContact O-N 3.1Å |
| 243 | V | 94.9 | Very high | 94.6 | Very high | 104 Ų | 104 | 72.7 Ų | 72.7 | 63% | 0.63 | 40% | 0.402 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.9 | -22.9 | 172.5 | -60.2 | 0 | 0 | 0 | 0 | 113.6 | K216 T245 | K216-V243 WeakPolarHBondContact CD-O 3.46Å; V243-T245 VanDerWaalsContact C-N 3.31Å |
| 244 | L | 96.3 | Very high | 95.1 | Very high | 34 Ų | 34 | 73.1 Ų | 73.1 | 18% | 0.178 | 40% | 0.403 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -75.2 | -20.5 | 176.7 | -64.3 | -178.6 | 0 | 0 | 0 | 112.9 | L215 K216 I228 F230 S242 | L215-L244 CarbonylContact C-O 3.46Å; L215-L244 WeakPolarHBondContact CA-O 3.13Å; L215-L244 HydrophobicContact CD2-CB 4.09Å; K216-L244 PolarHBondContact N-O 3.28Å; I228-L244 HydrophobicContact CD1-CD2 4.17Å; I228-L244 HydrophobicContact CG2-CD1 4.13Å; I228-L244 HydrophobicContact CG2-CD2 3.8Å; F230-L244 HydrophobicContact CB-CD1 3.72Å; F230-L244 HydrophobicContact CG-CD1 4.2Å; S242-L244 PolarHBondContact O-N 2.76Å; S242-L244 PolarHBondContact OG-N 2.83Å |
| 245 | T | 97.1 | Very high | 95.3 | Very high | 18 Ų | 18 | 74.1 Ų | 74.1 | 11% | 0.11 | 40% | 0.404 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -109.5 | -7.9 | -179.5 | 61.4 | 0 | 0 | 0 | 0 | 113.1 | P213 S214 V235 S242 V243 L247 | P213-T245 HydrophobicContact CB-CG2 4.23Å; S214-T245 VanDerWaalsContact O-CA 3.25Å; S214-T245 WeakPolarHBondContact O-CA 3.33Å; S214-T245 WeakPolarHBondContact O-CB 3.21Å; V235-T245 HydrophobicContact CB-CG2 4.39Å; V235-T245 HydrophobicContact CG1-CG2 3.84Å; V235-T245 WeakPolarHBondContact O-CG2 3.44Å; S242-T245 PolarHBondContact N-OG1 3.36Å; S242-T245 VanDerWaalsContact N-OG1 3.17Å; S242-T245 PolarHBondContact O-N 2.96Å; S242-T245 PolarHBondContact O-OG1 3.1Å; V243-T245 VanDerWaalsContact C-N 3.31Å; T245-L247 PolarHBondContact O-N 3.28Å |
| 246 | E | 96.1 | Very high | 95.4 | Very high | 104 Ų | 104 | 82.9 Ų | 82.9 | 49% | 0.486 | 44% | 0.437 | S | S | . | . | trans | -77.8 | 105.8 | 175.8 | -75.4 | 168.8 | -156.4 | 0 | 0 | 109.9 | K216 S242 | K216-E246 WeakPolarHBondContact CE-O 3.32Å; K216-E246 PolarHBondContact NZ-O 3.17Å; K216-E246 VanDerWaalsContact NZ-O 3.14Å; S242-E246 WeakPolarHBondContact O-CG 3.33Å; S242-E246 PolarHBondContact O-N 3.19Å; S242-E246 VanDerWaalsContact O-N 3.1Å | ||
| 247 | L | 96.8 | Very high | 95.6 | Very high | 52 Ų | 52 | 82.7 Ų | 82.7 | 27% | 0.272 | 44% | 0.435 | S | S | . | . | trans | -72 | 125.8 | 176.4 | -172.8 | 67 | 0 | 0 | 0 | 110.2 | N194 A195 N217 T245 K249 I250 | N194-L247 HydrophobicContact CB-CD2 4.03Å; A195-L247 HydrophobicContact CB-CB 3.88Å; A195-L247 HydrophobicContact CB-CD1 4.18Å; A195-L247 HydrophobicContact CB-CG 4.47Å; N217-L247 HydrophobicContact CB-CD1 4.38Å; T245-L247 PolarHBondContact O-N 3.28Å; L247-K249 WeakPolarHBondContact CD1-O 3.36Å; L247-K249 WeakPolarHBondContact CG-O 3.41Å; L247-I250 HydrophobicContact CD2-CG1 3.81Å | ||
| 248 | D | 96.1 | Very high | 95.9 | Very high | 128 Ų | 128 | 81 Ų | 81 | 68% | 0.684 | 43% | 0.432 | S | S | * | . | S | Bend | trans | -67.6 | -46.7 | 178.1 | -59.2 | -46.3 | 0 | 0 | 0 | 111.5 | K216 | K216-D248 WeakPolarHBondContact CE-OD2 3.33Å; K216-D248 IonicContact NZ-OD1 2.85Å; K216-D248 PolarHBondContact NZ-OD1 3.47Å; K216-D248 IonicContact NZ-OD2 2.81Å; K216-D248 PolarHBondContact NZ-OD2 3.2Å |
| 249 | K | 96.4 | Very high | 96.5 | Very high | 136 Ų | 136 | 82.5 Ų | 82.5 | 59% | 0.591 | 44% | 0.438 | S | S | * | . | S | Bend | trans | -161.4 | 155.7 | 176.6 | 60.5 | -179.2 | -177.6 | 177 | 0 | 109.5 | L247 E251 | L247-K249 WeakPolarHBondContact CD1-O 3.36Å; L247-K249 WeakPolarHBondContact CG-O 3.41Å; K249-E251 WeakPolarHBondContact CE-OE1 3.2Å; K249-E251 HydrophobicContact CG-CG 4.08Å; K249-E251 IonicContact NZ-OE1 3.45Å |
| 250 | I | 98.1 | Very high | 96.8 | Very high | 100 Ų | 100 | 78.3 Ų | 78.3 | 51% | 0.513 | 42% | 0.418 | S | S | . | . | trans | -72.4 | 134.5 | 171.6 | -62.5 | 167.2 | 0 | 0 | 0 | 108.7 | L247 F254 | L247-I250 HydrophobicContact CD2-CG1 3.81Å; I250-F254 HydrophobicContact CD1-CD1 3.82Å; I250-F254 HydrophobicContact CD1-CE1 3.88Å; I250-F254 HydrophobicContact CG1-CD1 4.41Å; I250-F254 HydrophobicContact CG2-CB 3.66Å; I250-F254 HydrophobicContact CG2-CD1 4.15Å; I250-F254 HydrophobicContact CG2-CG 3.93Å | ||
| 251 | E | 97.6 | Very high | 97.1 | Very high | 73 Ų | 73 | 77.6 Ų | 77.6 | 34% | 0.341 | 41% | 0.413 | S | S | . | . | trans | -130.6 | 141.7 | 178.3 | -61.2 | 176 | 140.8 | 0 | 0 | 109.8 | N194 N217 K249 N286 | N194-E251 PolarHBondContact ND2-O 3.4Å; N194-E251 PolarHBondContact OD1-N 3.15Å; N194-E251 PolarHBondContact OD1-O 3.45Å; N217-E251 PolarHBondContact ND2-OE2 3.33Å; N217-E251 VanDerWaalsContact ND2-OE2 3.16Å; K249-E251 WeakPolarHBondContact CE-OE1 3.2Å; K249-E251 HydrophobicContact CG-CG 4.08Å; K249-E251 IonicContact NZ-OE1 3.45Å; E251-N286 WeakPolarHBondContact O-CB 3.49Å; E251-N286 PolarHBondContact O-ND2 2.92Å | ||
| 252 | G | 97.7 | Very high | 97.4 | Very high | 70 Ų | 70 | 72.9 Ų | 72.9 | 72% | 0.722 | 38% | 0.38 | S | S | * | . | S | Bend | trans | 63 | -146.5 | 177.4 | 0 | 0 | 0 | 0 | 0 | 113.9 | N286 | G252-N286 CarbonylContact C-O 3.59Å; G252-N286 WeakPolarHBondContact CA-O 3.29Å |
| 253 | V | 97.7 | Very high | 97.5 | Very high | 50 Ų | 50 | 77.1 Ų | 77.1 | 30% | 0.303 | 39% | 0.391 | S | S | . | . | trans | -69.1 | 134.8 | 177.3 | -176.5 | 0 | 0 | 0 | 0 | 110.2 | N194 E255 N286 | N194-V253 PolarHBondContact ND2-O 2.96Å; V253-E255 HydrophobicContact CG1-CB 4.39Å; V253-E255 HydrophobicContact CG1-CG 3.78Å; V253-N286 PolarHBondContact N-O 3.18Å; V253-N286 WeakPolarHBondContact O-CA 3.48Å; V253-N286 WeakPolarHBondContact O-CB 3.48Å | ||
| 254 | F | 98.3 | Very high | 97.7 | Very high | 84 Ų | 84 | 74.8 Ų | 74.8 | 37% | 0.368 | 37% | 0.373 | S | S | . | . | trans | -141.1 | 79.7 | 176.1 | -175.5 | -123.7 | 0 | 0 | 0 | 110.7 | N194 V196 I250 | N194-F254 HydrophobicContact CB-CD2 3.46Å; N194-F254 VanDerWaalsContact CB-CD2 3.46Å; N194-F254 HydrophobicContact CB-CE2 3.7Å; N194-F254 HydrophobicContact CB-CG 4.34Å; V196-F254 HydrophobicContact CB-CE2 4.29Å; V196-F254 HydrophobicContact CG2-CE2 3.76Å; V196-F254 HydrophobicContact CG2-CZ 3.88Å; I250-F254 HydrophobicContact CD1-CD1 3.82Å; I250-F254 HydrophobicContact CD1-CE1 3.88Å; I250-F254 HydrophobicContact CG1-CD1 4.41Å; I250-F254 HydrophobicContact CG2-CB 3.66Å; I250-F254 HydrophobicContact CG2-CD1 4.15Å; I250-F254 HydrophobicContact CG2-CG 3.93Å | ||
| 255 | E | 97.1 | Very high | 97.8 | Very high | 129 Ų | 129 | 73.2 Ų | 73.2 | 60% | 0.603 | 37% | 0.365 | S | S | * | . | trans | -113.5 | 166.3 | -177.2 | -64.1 | -60.5 | 156.7 | 0 | 0 | 111.5 | Y198 V253 | Y198-E255 PolarHBondContact OH-O 2.8Å; Y198-E255 VanDerWaalsContact OH-O 3.06Å; V253-E255 HydrophobicContact CG1-CB 4.39Å; V253-E255 HydrophobicContact CG1-CG 3.78Å | ||
| 256 | R | 98.4 | Very high | 97.8 | Very high | 188 Ų | 188 | 72.5 Ų | 72.5 | 71% | 0.709 | 36% | 0.361 | S | S | * | . | P | Polyproline II helix | trans | -83.1 | 153.7 | 165.9 | -69.1 | -175.6 | 180 | -177.2 | 0.3 | 109.8 | Y198 | Y198-R256 HydrophobicContact CE1-CB 4.42Å; Y198-R256 HydrophobicContact CE1-CG 4.19Å |
| 257 | P | 98.3 | Very high | 97.9 | Very high | 15 Ų | 15 | 73 Ų | 73 | 10% | 0.097 | 36% | 0.358 | C | S | . | . | P | Polyproline II helix | trans | -63.5 | 144.4 | 175.9 | 28.8 | -36.6 | 0 | 0 | 0 | 110.9 | Y198 V209 D259 I262 I284 H291 | Y198-P257 HydrophobicContact CD1-CG 3.72Å; Y198-P257 HydrophobicContact CD2-CG 4.26Å; Y198-P257 HydrophobicContact CE1-CG 4.21Å; Y198-P257 HydrophobicContact CG-CG 3.74Å; V209-P257 HydrophobicContact CG1-CG 4.36Å; P257-D259 PolarHBondContact O-N 3.27Å; P257-I262 HydrophobicContact CB-CD1 3.76Å; P257-I262 HydrophobicContact CB-CG1 4.34Å; P257-I262 HydrophobicContact CG-CD1 3.84Å; P257-I284 HydrophobicContact CB-CD1 4.06Å; P257-H291 VanDerWaalsContact CA-NE2 3.26Å; P257-H291 WeakPolarHBondContact CA-NE2 3.18Å |
| 258 | S | 98.7 | Very high | 98 | Very high | 39 Ų | 39 | 71.4 Ų | 71.4 | 27% | 0.273 | 35% | 0.352 | S | S | . | . | P | Polyproline II helix | trans | -69.3 | 124.6 | 172.2 | 173 | 0 | 0 | 0 | 0 | 110.1 | E260 V261 I262 H291 | S258-E260 PolarHBondContact O-N 3.24Å; S258-E260 PolarHBondContact OG-N 2.73Å; S258-V261 PolarHBondContact O-N 2.78Å; S258-V261 PolarHBondContact OG-N 2.73Å; S258-I262 WeakPolarHBondContact O-CG1 3.2Å; S258-I262 PolarHBondContact O-N 2.73Å; S258-H291 PolarHBondContact N-NE2 3.09Å |
| 259 | D | 98.5 | Very high | 98.1 | Very high | 83 Ų | 83 | 65.5 Ų | 65.5 | 44% | 0.444 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -60.6 | -29.7 | 173.1 | -82.2 | -47.6 | 0 | 0 | 0 | 112.8 | Y207 P257 R263 | Y207-D259 WeakPolarHBondContact OH-CB 3.3Å; Y207-D259 PolarHBondContact OH-O 2.92Å; Y207-D259 PolarHBondContact OH-OD1 2.91Å; P257-D259 PolarHBondContact O-N 3.27Å; D259-R263 WeakPolarHBondContact O-CB 3.29Å; D259-R263 VanDerWaalsContact O-CG 3.32Å; D259-R263 WeakPolarHBondContact O-CG 3.4Å; D259-R263 PolarHBondContact O-N 3.34Å |
| 260 | E | 98.6 | Very high | 98.1 | Very high | 89 Ų | 89 | 61.8 Ų | 61.8 | 42% | 0.416 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -64.9 | -52.7 | 174.7 | -173.8 | 178.3 | -152.5 | 0 | 0 | 110.4 | R124 S258 I262 R263 E264 | R124-E260 IonicContact CZ-OE2 3.55Å; R124-E260 IonicContact NH1-OE2 3.97Å; R124-E260 PolarHBondContact NH1-OE2 2.91Å; R124-E260 IonicContact NH2-OE2 3.55Å; S258-E260 PolarHBondContact O-N 3.24Å; S258-E260 PolarHBondContact OG-N 2.73Å; E260-I262 VanDerWaalsContact C-N 3.27Å; E260-I262 PolarHBondContact O-N 3.17Å; E260-R263 WeakPolarHBondContact O-CB 3.3Å; E260-R263 PolarHBondContact O-N 3.27Å; E260-E264 WeakPolarHBondContact O-CG 3.46Å; E260-E264 PolarHBondContact O-N 3.48Å |
| 261 | V | 98.6 | Very high | 98 | Very high | 0 Ų | 0 | 63.7 Ų | 63.7 | 0% | 0 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -55.8 | -44.5 | 177.3 | 172.7 | 0 | 0 | 0 | 0 | 110.9 | R124 I125 S258 R263 E264 L265 H291 | R124-V261 HydrophobicContact CB-CG2 3.9Å; I125-V261 HydrophobicContact CD1-CG1 3.78Å; I125-V261 HydrophobicContact CG1-CG1 3.64Å; S258-V261 PolarHBondContact O-N 2.78Å; S258-V261 PolarHBondContact OG-N 2.73Å; V261-R263 PolarHBondContact O-N 3.41Å; V261-E264 PolarHBondContact O-N 3.22Å; V261-L265 HydrophobicContact CG1-CD1 3.86Å; V261-L265 HydrophobicContact CG1-CG 4.4Å; V261-L265 WeakPolarHBondContact O-CB 3.29Å; V261-L265 WeakPolarHBondContact O-CG 3.48Å; V261-L265 PolarHBondContact O-N 2.69Å; V261-H291 HydrophobicContact CG1-CB 4.13Å |
| 262 | I | 98.8 | Very high | 97.9 | Very high | 0 Ų | 0 | 61.6 Ų | 61.6 | 0% | 0 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -61.4 | -44.4 | 177.5 | -68.1 | 167.1 | 0 | 0 | 0 | 111.7 | V200 Y207 V209 P257 S258 E260 E264 S266 I282 | V200-I262 HydrophobicContact CB-CG2 4.43Å; V200-I262 HydrophobicContact CG1-CG2 3.49Å; V200-I262 VanDerWaalsContact CG1-CG2 3.49Å; V200-I262 HydrophobicContact CG2-CD1 3.93Å; V200-I262 HydrophobicContact CG2-CG1 4.08Å; V200-I262 HydrophobicContact CG2-CG2 4.12Å; Y207-I262 HydrophobicContact CD1-CG2 4.15Å; Y207-I262 HydrophobicContact CD2-CG2 3.6Å; Y207-I262 HydrophobicContact CE1-CG2 4.06Å; Y207-I262 HydrophobicContact CE2-CB 4.19Å; Y207-I262 HydrophobicContact CE2-CD1 4.34Å; Y207-I262 HydrophobicContact CE2-CG2 3.48Å; Y207-I262 VanDerWaalsContact CE2-CG2 3.48Å; Y207-I262 HydrophobicContact CG-CG2 3.94Å; V209-I262 HydrophobicContact CG2-CD1 3.75Å; P257-I262 HydrophobicContact CB-CD1 3.76Å; P257-I262 HydrophobicContact CB-CG1 4.34Å; P257-I262 HydrophobicContact CG-CD1 3.84Å; S258-I262 WeakPolarHBondContact O-CG1 3.2Å; S258-I262 PolarHBondContact O-N 2.73Å; E260-I262 VanDerWaalsContact C-N 3.27Å; E260-I262 PolarHBondContact O-N 3.17Å; I262-E264 VanDerWaalsContact C-N 3.3Å; I262-E264 PolarHBondContact O-N 2.85Å; I262-S266 WeakPolarHBondContact O-CB 3.11Å; I262-S266 PolarHBondContact O-N 3.34Å; I262-I282 HydrophobicContact CG1-CD1 3.96Å |
| 263 | R | 98.6 | Very high | 97.7 | Very high | 124 Ų | 124 | 59.4 Ų | 59.4 | 47% | 0.468 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -60.5 | -41.7 | 177.8 | -81.2 | -174.9 | -64.7 | -92.5 | 2.4 | 111.7 | Y207 D259 E260 V261 R267 | Y207-R263 HydrophobicContact CE1-CG 3.58Å; D259-R263 WeakPolarHBondContact O-CB 3.29Å; D259-R263 VanDerWaalsContact O-CG 3.32Å; D259-R263 WeakPolarHBondContact O-CG 3.4Å; D259-R263 PolarHBondContact O-N 3.34Å; E260-R263 WeakPolarHBondContact O-CB 3.3Å; E260-R263 PolarHBondContact O-N 3.27Å; V261-R263 PolarHBondContact O-N 3.41Å; R263-R267 VanDerWaalsContact O-CB 3.25Å; R263-R267 WeakPolarHBondContact O-CB 3.48Å; R263-R267 PolarHBondContact O-N 2.75Å |
| 264 | E | 98.3 | Very high | 97.6 | Very high | 54 Ų | 54 | 58.8 Ų | 58.8 | 25% | 0.252 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -69.4 | -47.1 | -179.5 | -59.5 | -161 | 142.3 | 0 | 0 | 111.9 | M120 R124 E260 V261 I262 S266 R267 A268 | M120-E264 HydrophobicContact CE-CB 3.57Å; R124-E264 IonicContact NH2-OE2 2.71Å; E260-E264 WeakPolarHBondContact O-CG 3.46Å; E260-E264 PolarHBondContact O-N 3.48Å; V261-E264 PolarHBondContact O-N 3.22Å; I262-E264 VanDerWaalsContact C-N 3.3Å; I262-E264 PolarHBondContact O-N 2.85Å; E264-S266 PolarHBondContact O-N 2.88Å; E264-R267 PolarHBondContact O-N 3.44Å; E264-R267 IonicContact OE1-NH2 3.58Å; E264-A268 WeakPolarHBondContact O-CB 3.32Å; E264-A268 PolarHBondContact O-N 3.48Å |
| 265 | L | 98.3 | Very high | 97.6 | Very high | 2 Ų | 2 | 55 Ų | 55 | 1% | 0.01 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -57.3 | -49.8 | 173.3 | -78.8 | 170.8 | 0 | 0 | 0 | 111.7 | E117 M120 I125 V261 R267 A268 L269 I280 I282 V293 | E117-L265 HydrophobicContact CG-CD2 4.33Å; M120-L265 HydrophobicContact CE-CD2 4.26Å; M120-L265 HydrophobicContact CE-CG 4.27Å; M120-L265 HydrophobicContact SD-CD2 4.08Å; I125-L265 HydrophobicContact CD1-CD1 4.27Å; I125-L265 HydrophobicContact CD1-CD2 3.99Å; I125-L265 HydrophobicContact CD1-CG 3.97Å; V261-L265 HydrophobicContact CG1-CD1 3.86Å; V261-L265 HydrophobicContact CG1-CG 4.4Å; V261-L265 WeakPolarHBondContact O-CB 3.29Å; V261-L265 WeakPolarHBondContact O-CG 3.48Å; V261-L265 PolarHBondContact O-N 2.69Å; L265-R267 PolarHBondContact O-N 3.07Å; L265-A268 PolarHBondContact O-N 2.78Å; L265-L269 WeakPolarHBondContact O-CB 3.14Å; L265-L269 WeakPolarHBondContact O-CG 3.49Å; L265-L269 PolarHBondContact O-N 3.13Å; L265-I280 HydrophobicContact CB-CD1 4.3Å; L265-I282 HydrophobicContact CD1-CD1 4.22Å; L265-V293 HydrophobicContact CD1-CG2 3.96Å; L265-V293 HydrophobicContact CD2-CG2 4.42Å |
| 266 | S | 98.2 | Very high | 97.6 | Very high | 3 Ų | 3 | 49.3 Ų | 49.3 | 2% | 0.021 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -57.3 | -48.9 | 177.6 | 169 | 0 | 0 | 0 | 0 | 110.9 | V202 I262 E264 R270 | V202-S266 WeakPolarHBondContact CG1-OG 3.46Å; I262-S266 WeakPolarHBondContact O-CB 3.11Å; I262-S266 PolarHBondContact O-N 3.34Å; E264-S266 PolarHBondContact O-N 2.88Å; S266-R270 WeakPolarHBondContact O-CB 3.25Å; S266-R270 WeakPolarHBondContact O-CG 3.33Å; S266-R270 PolarHBondContact O-N 2.91Å; S266-R270 PolarHBondContact O-NE 2.9Å; S266-R270 PolarHBondContact OG-NE 2.89Å |
| 267 | R | 98.1 | Very high | 97.7 | Very high | 115 Ų | 115 | 40.3 Ų | 40.3 | 43% | 0.434 | 21% | 0.205 | S | C | . | . | H | α-helix | trans | -60.7 | -47.7 | 178.3 | 174.3 | 172.5 | 51.6 | -161.8 | -2.1 | 112 | R263 E264 L265 R270 Q271 | R263-R267 VanDerWaalsContact O-CB 3.25Å; R263-R267 WeakPolarHBondContact O-CB 3.48Å; R263-R267 PolarHBondContact O-N 2.75Å; E264-R267 PolarHBondContact O-N 3.44Å; E264-R267 IonicContact OE1-NH2 3.58Å; L265-R267 PolarHBondContact O-N 3.07Å; R267-R270 PolarHBondContact O-N 3.24Å; R267-Q271 WeakPolarHBondContact O-CB 3.35Å; R267-Q271 VanDerWaalsContact O-CG 3.26Å; R267-Q271 WeakPolarHBondContact O-CG 3.32Å; R267-Q271 PolarHBondContact O-N 2.9Å |
| 268 | A | 97.9 | Very high | 97.7 | Very high | 18 Ų | 18 | 39.6 Ų | 39.6 | 15% | 0.149 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -65.4 | -44 | -177.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | I116 M120 E264 L265 Q271 A272 | I116-A268 HydrophobicContact CG2-CB 3.53Å; M120-A268 HydrophobicContact SD-CB 3.93Å; E264-A268 WeakPolarHBondContact O-CB 3.32Å; E264-A268 PolarHBondContact O-N 3.48Å; L265-A268 PolarHBondContact O-N 2.78Å; A268-Q271 PolarHBondContact O-N 3.04Å; A268-A272 VanDerWaalsContact O-CB 3.26Å; A268-A272 WeakPolarHBondContact O-CB 3.49Å; A268-A272 PolarHBondContact O-N 3.26Å |
| 269 | L | 97.3 | Very high | 97.7 | Very high | 3 Ų | 3 | 37.8 Ų | 37.8 | 2% | 0.016 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -61.9 | -45.8 | 175.6 | -74.6 | 164.9 | 0 | 0 | 0 | 112 | I113 I116 L265 Q271 A272 L273 F278 I280 I296 | I113-L269 HydrophobicContact CG1-CD2 4.12Å; I116-L269 HydrophobicContact CD1-CD2 3.63Å; I116-L269 HydrophobicContact CD1-CG 4.26Å; L265-L269 WeakPolarHBondContact O-CB 3.14Å; L265-L269 WeakPolarHBondContact O-CG 3.49Å; L265-L269 PolarHBondContact O-N 3.13Å; L269-Q271 VanDerWaalsContact C-N 3.33Å; L269-Q271 PolarHBondContact O-N 3.49Å; L269-A272 PolarHBondContact O-N 3.42Å; L269-L273 HydrophobicContact CD2-CD1 4.33Å; L269-L273 WeakPolarHBondContact O-CB 3.18Å; L269-L273 PolarHBondContact O-N 3.36Å; L269-F278 HydrophobicContact CB-CE2 4.16Å; L269-F278 HydrophobicContact CB-CZ 4.11Å; L269-F278 HydrophobicContact CD1-CE2 3.99Å; L269-I280 HydrophobicContact CD1-CD1 4.37Å; L269-I280 HydrophobicContact CD1-CG2 3.72Å; L269-I296 HydrophobicContact CD1-CD1 4.17Å; L269-I296 HydrophobicContact CD2-CD1 3.97Å |
| 270 | R | 98 | Very high | 97.7 | Very high | 58 Ų | 58 | 33.9 Ų | 33.9 | 22% | 0.219 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -60.1 | -43.5 | 176.1 | -71.1 | -175.7 | -67.3 | 118.5 | -5.2 | 111.9 | G204 S266 R267 G274 V275 F278 | G204-R270 WeakPolarHBondContact O-CD 3.35Å; G204-R270 PolarHBondContact O-NE 3.05Å; G204-R270 VanDerWaalsContact O-NE 3.11Å; S266-R270 WeakPolarHBondContact O-CB 3.25Å; S266-R270 WeakPolarHBondContact O-CG 3.33Å; S266-R270 PolarHBondContact O-N 2.91Å; S266-R270 PolarHBondContact O-NE 2.9Å; S266-R270 PolarHBondContact OG-NE 2.89Å; R267-R270 PolarHBondContact O-N 3.24Å; R270-G274 WeakPolarHBondContact O-CA 3.43Å; R270-G274 PolarHBondContact O-N 2.79Å; R270-V275 VanDerWaalsContact CG-O 3.26Å; R270-V275 WeakPolarHBondContact CG-O 3.34Å; R270-F278 HydrophobicContact CG-CE1 3.53Å; R270-F278 HydrophobicContact CG-CZ 3.92Å |
| 271 | Q | 96.1 | Very high | 97.7 | Very high | 141 Ų | 141 | 30.3 Ų | 30.3 | 66% | 0.659 | 15% | 0.15 | S | C | * | . | H | α-helix | trans | -70.2 | -37.3 | -180 | -73.7 | 175.7 | -13.8 | 0 | 0 | 113.1 | R267 A268 L269 | R267-Q271 WeakPolarHBondContact O-CB 3.35Å; R267-Q271 VanDerWaalsContact O-CG 3.26Å; R267-Q271 WeakPolarHBondContact O-CG 3.32Å; R267-Q271 PolarHBondContact O-N 2.9Å; A268-Q271 PolarHBondContact O-N 3.04Å; L269-Q271 VanDerWaalsContact C-N 3.33Å; L269-Q271 PolarHBondContact O-N 3.49Å |
| 272 | A | 94.5 | Very high | 97.7 | Very high | 29 Ų | 29 | 30.3 Ų | 30.3 | 24% | 0.24 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -79 | -40.9 | -177.5 | 0 | 0 | 0 | 0 | 0 | 112.9 | I116 A268 L269 | I116-A272 HydrophobicContact CD1-CB 3.73Å; I116-A272 HydrophobicContact CG1-CB 4.21Å; A268-A272 VanDerWaalsContact O-CB 3.26Å; A268-A272 WeakPolarHBondContact O-CB 3.49Å; A268-A272 PolarHBondContact O-N 3.26Å; L269-A272 PolarHBondContact O-N 3.42Å |
| 273 | L | 92.9 | Very high | 97.7 | Very high | 23 Ų | 23 | 30.5 Ų | 30.5 | 12% | 0.12 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -94 | -26.6 | -178 | -75.5 | 170.1 | 0 | 0 | 0 | 113.8 | A99 T102 L103 L112 L269 V275 I296 | A99-L273 HydrophobicContact CB-CB 4.5Å; A99-L273 WeakPolarHBondContact CB-O 3.39Å; T102-L273 HydrophobicContact CG2-CD2 3.75Å; L103-L273 HydrophobicContact CD2-CD1 3.9Å; L103-L273 HydrophobicContact CG-CD1 4.5Å; L112-L273 HydrophobicContact CD2-CD1 3.86Å; L112-L273 HydrophobicContact CD2-CD2 3.12Å; L112-L273 HydrophobicContact CD2-CG 3.36Å; L269-L273 HydrophobicContact CD2-CD1 4.33Å; L269-L273 WeakPolarHBondContact O-CB 3.18Å; L269-L273 PolarHBondContact O-N 3.36Å; L273-V275 VanDerWaalsContact C-N 3.25Å; L273-V275 HydrophobicContact CB-CB 4.44Å; L273-V275 HydrophobicContact CB-CG1 4.05Å; L273-V275 HydrophobicContact CB-CG2 3.94Å; L273-V275 HydrophobicContact CD1-CG1 4.45Å; L273-V275 HydrophobicContact CD1-CG2 4.08Å; L273-I296 HydrophobicContact CD1-CD1 4.28Å |
| 274 | G | 96 | Very high | 97.7 | Very high | 38 Ų | 38 | 25 Ų | 25 | 39% | 0.392 | 13% | 0.131 | S | C | . | . | trans | 72.8 | 15.5 | -166.3 | 0 | 0 | 0 | 0 | 0 | 113.9 | P96 R270 | P96-G274 VanDerWaalsContact CD-O 3.28Å; P96-G274 WeakPolarHBondContact CD-O 3.32Å; R270-G274 WeakPolarHBondContact O-CA 3.43Å; R270-G274 PolarHBondContact O-N 2.79Å | ||
| 275 | V | 97.9 | Very high | 97.7 | Very high | 5 Ų | 5 | 23.1 Ų | 23.1 | 3% | 0.03 | 12% | 0.123 | C | C | . | . | trans | -77.6 | 158.1 | 171.1 | -66.2 | 0 | 0 | 0 | 0 | 111.3 | D95 A99 L103 R270 L273 F278 | D95-V275 HydrophobicContact CB-CG1 4.44Å; A99-V275 HydrophobicContact CB-CG1 3.61Å; L103-V275 HydrophobicContact CD1-CG1 3.89Å; R270-V275 VanDerWaalsContact CG-O 3.26Å; R270-V275 WeakPolarHBondContact CG-O 3.34Å; L273-V275 VanDerWaalsContact C-N 3.25Å; L273-V275 HydrophobicContact CB-CB 4.44Å; L273-V275 HydrophobicContact CB-CG1 4.05Å; L273-V275 HydrophobicContact CB-CG2 3.94Å; L273-V275 HydrophobicContact CD1-CG1 4.45Å; L273-V275 HydrophobicContact CD1-CG2 4.08Å; V275-F278 HydrophobicContact CB-CD1 4.01Å; V275-F278 HydrophobicContact CB-CG 4.46Å; V275-F278 HydrophobicContact CG2-CB 4.44Å; V275-F278 HydrophobicContact CG2-CD1 3.48Å; V275-F278 VanDerWaalsContact CG2-CD1 3.48Å; V275-F278 HydrophobicContact CG2-CD2 4.41Å; V275-F278 HydrophobicContact CG2-CE1 3.72Å; V275-F278 HydrophobicContact CG2-CG 3.87Å; V275-F278 HydrophobicContact CG2-CZ 4.27Å | ||
| 276 | S | 98.6 | Very high | 97.7 | Very high | 8 Ų | 8 | 23.4 Ų | 23.4 | 6% | 0.056 | 12% | 0.124 | C | C | . | . | trans | -140.2 | -30.2 | 174.9 | 70 | 0 | 0 | 0 | 0 | 112.7 | D95 G204 H315 | D95-S276 WeakPolarHBondContact OD1-CB 3.45Å; D95-S276 PolarHBondContact OD1-N 3.32Å; D95-S276 PolarHBondContact OD1-OG 3.04Å; D95-S276 PolarHBondContact OD2-N 2.87Å; G204-S276 PolarHBondContact N-O 3.07Å; S276-H315 WeakPolarHBondContact CB-NE2 3.43Å; S276-H315 PolarHBondContact OG-NE2 3.47Å | ||
| 277 | L | 98.8 | Very high | 97.7 | Very high | 0 Ų | 0 | 29.8 Ų | 29.8 | 0% | 0 | 15% | 0.154 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.2 | 87.3 | 179.1 | -56.6 | -176.4 | 0 | 0 | 0 | 108.6 | I57 L94 D95 V203 F299 Y302 L312 | I57-L277 HydrophobicContact CG2-CD1 4.19Å; L94-L277 HydrophobicContact CB-CD1 4.29Å; D95-L277 PolarHBondContact OD2-N 3.27Å; V203-L277 HydrophobicContact CG1-CD2 3.85Å; L277-F299 HydrophobicContact CB-CB 4.41Å; L277-F299 HydrophobicContact CB-CD2 4.43Å; L277-F299 HydrophobicContact CB-CG 4.28Å; L277-F299 HydrophobicContact CD1-CD2 3.92Å; L277-F299 HydrophobicContact CD1-CE2 3.78Å; L277-F299 HydrophobicContact CD1-CG 4.49Å; L277-F299 HydrophobicContact CD1-CZ 4.2Å; L277-F299 WeakPolarHBondContact O-CA 3.35Å; L277-F299 PolarHBondContact O-N 3.43Å; L277-Y302 WeakPolarHBondContact CA-OH 3.37Å; L277-L312 HydrophobicContact CD1-CD1 3.94Å; L277-L312 HydrophobicContact CD2-CD1 3.67Å; L277-L312 HydrophobicContact CG-CD1 4.45Å |
| 278 | F | 98.8 | Very high | 97.7 | Very high | 0 Ų | 0 | 27.8 Ų | 27.8 | 0% | 0 | 15% | 0.154 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -147.6 | 167.4 | -177.2 | 68.6 | -74.7 | 0 | 0 | 0 | 111.8 | V202 L269 R270 V275 I280 I296 N297 Y302 | V202-F278 WeakPolarHBondContact CA-O 3.36Å; V202-F278 HydrophobicContact CB-CD1 3.95Å; V202-F278 HydrophobicContact CB-CE1 3.61Å; V202-F278 HydrophobicContact CB-CE2 4.25Å; V202-F278 HydrophobicContact CB-CG 4.38Å; V202-F278 HydrophobicContact CB-CZ 3.79Å; V202-F278 HydrophobicContact CG1-CD1 4.11Å; V202-F278 HydrophobicContact CG1-CE1 3.41Å; V202-F278 VanDerWaalsContact CG1-CE1 3.41Å; V202-F278 HydrophobicContact CG1-CZ 3.76Å; V202-F278 HydrophobicContact CG2-CD2 4.47Å; V202-F278 HydrophobicContact CG2-CE1 4.12Å; V202-F278 HydrophobicContact CG2-CE2 3.94Å; V202-F278 HydrophobicContact CG2-CZ 3.75Å; V202-F278 PolarHBondContact N-O 3.33Å; V202-F278 PolarHBondContact O-N 2.99Å; V202-F278 VanDerWaalsContact O-O 3.11Å; L269-F278 HydrophobicContact CB-CE2 4.16Å; L269-F278 HydrophobicContact CB-CZ 4.11Å; L269-F278 HydrophobicContact CD1-CE2 3.99Å; R270-F278 HydrophobicContact CG-CE1 3.53Å; R270-F278 HydrophobicContact CG-CZ 3.92Å; V275-F278 HydrophobicContact CB-CD1 4.01Å; V275-F278 HydrophobicContact CB-CG 4.46Å; V275-F278 HydrophobicContact CG2-CB 4.44Å; V275-F278 HydrophobicContact CG2-CD1 3.48Å; V275-F278 VanDerWaalsContact CG2-CD1 3.48Å; V275-F278 HydrophobicContact CG2-CD2 4.41Å; V275-F278 HydrophobicContact CG2-CE1 3.72Å; V275-F278 HydrophobicContact CG2-CG 3.87Å; V275-F278 HydrophobicContact CG2-CZ 4.27Å; F278-I280 HydrophobicContact CD2-CG2 3.99Å; F278-I280 HydrophobicContact CE2-CG2 3.84Å; F278-I296 HydrophobicContact CD2-CD1 3.98Å; F278-I296 HydrophobicContact CD2-CG1 4.14Å; F278-I296 HydrophobicContact CE2-CD1 4.35Å; F278-N297 CarbonylContact C-O 3.47Å; F278-N297 WeakPolarHBondContact CA-O 3.3Å; F278-N297 VanDerWaalsContact CB-O 3.3Å; F278-N297 WeakPolarHBondContact CB-O 3.23Å; F278-Y302 PolarHBondContact N-OH 3.38Å |
| 279 | G | 98.6 | Very high | 97.8 | Very high | 1 Ų | 1 | 28 Ų | 28 | 1% | 0.01 | 16% | 0.159 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.4 | 143.8 | 169.6 | 0 | 0 | 0 | 0 | 0 | 110.5 | V200 I296 N297 | V200-G279 CarbonylContact O-C 3.49Å; V200-G279 VanDerWaalsContact O-CA 3.23Å; V200-G279 WeakPolarHBondContact O-CA 3.38Å; G279-I296 CarbonylContact O-C 3.49Å; G279-I296 VanDerWaalsContact O-CA 3.32Å; G279-I296 WeakPolarHBondContact O-CA 3.45Å; G279-N297 PolarHBondContact N-O 2.93Å; G279-N297 PolarHBondContact O-N 2.99Å |
| 280 | I | 98.4 | Very high | 97.8 | Very high | 0 Ų | 0 | 30.2 Ų | 30.2 | 0% | 0 | 17% | 0.169 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.1 | 133.2 | 166.4 | 57 | -177.5 | 0 | 0 | 0 | 109.2 | V200 L265 L269 F278 I282 V293 D295 I296 | V200-I280 HydrophobicContact CB-CD1 4.27Å; V200-I280 HydrophobicContact CB-CG1 3.59Å; V200-I280 HydrophobicContact CG1-CD1 4.46Å; V200-I280 HydrophobicContact CG1-CG1 4.17Å; V200-I280 HydrophobicContact CG2-CG1 4.09Å; V200-I280 PolarHBondContact N-O 3.27Å; V200-I280 PolarHBondContact O-N 2.87Å; L265-I280 HydrophobicContact CB-CD1 4.3Å; L269-I280 HydrophobicContact CD1-CD1 4.37Å; L269-I280 HydrophobicContact CD1-CG2 3.72Å; F278-I280 HydrophobicContact CD2-CG2 3.99Å; F278-I280 HydrophobicContact CE2-CG2 3.84Å; I280-I282 HydrophobicContact CD1-CD1 3.96Å; I280-I282 HydrophobicContact CD1-CG1 4.36Å; I280-I282 HydrophobicContact CG1-CD1 4.27Å; I280-I282 HydrophobicContact CG1-CG1 4.25Å; I280-V293 HydrophobicContact CB-CG1 4.17Å; I280-V293 HydrophobicContact CG2-CG1 4.32Å; I280-D295 WeakPolarHBondContact CA-O 3.48Å; I280-I296 HydrophobicContact CG2-CB 4.17Å; I280-I296 HydrophobicContact CG2-CD1 3.93Å; I280-I296 HydrophobicContact CG2-CG1 3.89Å |
| 281 | D | 98.7 | Very high | 97.9 | Very high | 14 Ų | 14 | 27.9 Ų | 27.9 | 8% | 0.075 | 16% | 0.161 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96 | 108.2 | 177.8 | -81 | 17.6 | 0 | 0 | 0 | 107.4 | L197 K199 I294 D295 | L197-D281 HydrophobicContact CD1-CB 3.67Å; K199-D281 VanDerWaalsContact CE-OD1 3.3Å; K199-D281 WeakPolarHBondContact CE-OD1 3.35Å; K199-D281 VanDerWaalsContact CE-OD2 3.32Å; K199-D281 WeakPolarHBondContact CE-OD2 3.44Å; K199-D281 WeakPolarHBondContact CG-OD1 3.4Å; K199-D281 IonicContact NZ-OD1 3.47Å; K199-D281 IonicContact NZ-OD2 2.87Å; K199-D281 PolarHBondContact NZ-OD2 3.47Å; D281-I294 HydrophobicContact CB-CG1 4.19Å; D281-I294 WeakPolarHBondContact O-CG1 3.34Å; D281-I294 PolarHBondContact O-N 3.13Å; D281-D295 HydrophobicContact CB-CB 3.81Å; D281-D295 PolarHBondContact N-O 3.24Å |
| 282 | I | 98.9 | Very high | 98 | Very high | 0 Ų | 0 | 21.2 Ų | 21.2 | 0% | 0 | 13% | 0.129 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105 | 133.7 | -178.8 | -61.6 | -178.4 | 0 | 0 | 0 | 109.7 | L197 Y198 V200 I262 L265 I280 I284 H291 A292 V293 | L197-I282 WeakPolarHBondContact CD1-O 3.26Å; Y198-I282 WeakPolarHBondContact CA-O 3.3Å; Y198-I282 WeakPolarHBondContact CB-O 3.42Å; Y198-I282 PolarHBondContact N-O 3.2Å; Y198-I282 PolarHBondContact O-N 3.48Å; V200-I282 HydrophobicContact CG2-CD1 3.71Å; V200-I282 HydrophobicContact CG2-CG1 4.21Å; I262-I282 HydrophobicContact CG1-CD1 3.96Å; L265-I282 HydrophobicContact CD1-CD1 4.22Å; I280-I282 HydrophobicContact CD1-CD1 3.96Å; I280-I282 HydrophobicContact CD1-CG1 4.36Å; I280-I282 HydrophobicContact CG1-CD1 4.27Å; I280-I282 HydrophobicContact CG1-CG1 4.25Å; I282-I284 HydrophobicContact CG2-CD1 4.31Å; I282-H291 HydrophobicContact CG2-CB 4.07Å; I282-A292 WeakPolarHBondContact CA-O 3.21Å; I282-V293 HydrophobicContact CG1-CG2 4.3Å |
| 283 | I | 98.9 | Very high | 98.2 | Very high | 5 Ų | 5 | 20 Ų | 20 | 3% | 0.026 | 12% | 0.119 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.8 | 152.7 | 165.7 | 60.9 | 172.1 | 0 | 0 | 0 | 109.7 | I191 H193 L197 A292 I294 | I191-I283 HydrophobicContact CB-CD1 3.77Å; I191-I283 HydrophobicContact CG2-CD1 4.18Å; H193-I283 HydrophobicContact CB-CB 3.69Å; H193-I283 HydrophobicContact CB-CD1 4.13Å; H193-I283 HydrophobicContact CB-CG1 4.29Å; H193-I283 HydrophobicContact CB-CG2 4.35Å; H193-I283 VanDerWaalsContact CD2-CG2 3.49Å; H193-I283 WeakPolarHBondContact CD2-CG2 3.35Å; L197-I283 HydrophobicContact CD1-CG2 3.85Å; I283-A292 HydrophobicContact CD1-CB 4.46Å; I283-A292 HydrophobicContact CG1-CB 3.9Å; I283-A292 PolarHBondContact N-O 3.39Å; I283-A292 PolarHBondContact O-N 2.93Å; I283-I294 HydrophobicContact CD1-CD1 4.26Å; I283-I294 HydrophobicContact CD1-CG2 3.64Å; I283-I294 HydrophobicContact CG1-CD1 4.42Å; I283-I294 HydrophobicContact CG1-CG1 4.48Å; I283-I294 HydrophobicContact CG1-CG2 3.83Å; I283-I294 HydrophobicContact CG2-CD1 3.7Å; I283-I294 HydrophobicContact CG2-CG1 4.28Å |
| 284 | I | 98.9 | Very high | 98.5 | Very high | 7 Ų | 7 | 20.3 Ų | 20.3 | 4% | 0.036 | 12% | 0.12 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.1 | 115.6 | 176.2 | -58.2 | -54.8 | 0 | 0 | 0 | 108.3 | H193 Y198 P257 I282 N286 | H193-I284 VanDerWaalsContact CA-O 3.25Å; H193-I284 WeakPolarHBondContact CA-O 3.4Å; H193-I284 WeakPolarHBondContact CB-O 3.19Å; Y198-I284 HydrophobicContact CD2-CG1 4.22Å; Y198-I284 HydrophobicContact CE2-CG1 3.87Å; P257-I284 HydrophobicContact CB-CD1 4.06Å; I282-I284 HydrophobicContact CG2-CD1 4.31Å; I284-N286 PolarHBondContact O-N 3.33Å |
| 285 | N | 98.7 | Very high | 98.6 | Very high | 15 Ų | 15 | 19.7 Ų | 19.7 | 8% | 0.08 | 11% | 0.108 | C | C | . | . | trans | -61.7 | 117.2 | 178.1 | -176.9 | -24.4 | 0 | 0 | 0 | 109.4 | I191 Q287 T288 G289 Q290 | I191-N285 HydrophobicContact CG2-CB 3.62Å; N285-Q287 PolarHBondContact O-N 3Å; N285-Q287 WeakPolarHBondContact OD1-CB 3.27Å; N285-Q287 PolarHBondContact OD1-N 3.5Å; N285-T288 WeakPolarHBondContact CB-OG1 3.32Å; N285-T288 PolarHBondContact ND2-OG1 2.88Å; N285-T288 PolarHBondContact O-N 3Å; N285-G289 VanDerWaalsContact O-CA 3.29Å; N285-G289 WeakPolarHBondContact O-CA 3.03Å; N285-G289 PolarHBondContact O-N 2.92Å; N285-Q290 PolarHBondContact N-O 2.79Å | ||
| 286 | N | 98.4 | Very high | 98.6 | Very high | 8 Ų | 8 | 19.6 Ų | 19.6 | 4% | 0.043 | 11% | 0.107 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -74.1 | -9.7 | -175.5 | 79.5 | -13.6 | 0 | 0 | 0 | 114 | N192 N194 N217 E251 G252 V253 I284 | N192-N286 VanDerWaalsContact CB-OD1 3.29Å; N192-N286 WeakPolarHBondContact CB-OD1 3.47Å; N192-N286 PolarHBondContact O-N 2.88Å; N192-N286 PolarHBondContact O-OD1 3.36Å; N194-N286 WeakPolarHBondContact ND2-CB 3.47Å; N217-N286 PolarHBondContact ND2-ND2 2.86Å; E251-N286 WeakPolarHBondContact O-CB 3.49Å; E251-N286 PolarHBondContact O-ND2 2.92Å; G252-N286 CarbonylContact C-O 3.59Å; G252-N286 WeakPolarHBondContact CA-O 3.29Å; V253-N286 PolarHBondContact N-O 3.18Å; V253-N286 WeakPolarHBondContact O-CA 3.48Å; V253-N286 WeakPolarHBondContact O-CB 3.48Å; I284-N286 PolarHBondContact O-N 3.33Å |
| 287 | Q | 98.1 | Very high | 98.6 | Very high | 138 Ų | 138 | 20.8 Ų | 20.8 | 65% | 0.645 | 11% | 0.113 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -86.1 | -34.5 | 174.3 | -60.3 | -176.8 | -5.5 | 0 | 0 | 112 | N285 | N285-Q287 PolarHBondContact O-N 3Å; N285-Q287 WeakPolarHBondContact OD1-CB 3.27Å; N285-Q287 PolarHBondContact OD1-N 3.5Å |
| 288 | T | 98.3 | Very high | 98.6 | Very high | 72 Ų | 72 | 21.2 Ų | 21.2 | 44% | 0.442 | 12% | 0.117 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -120.1 | -17.7 | -170 | 64.3 | 0 | 0 | 0 | 0 | 114.4 | N285 Q290 | N285-T288 WeakPolarHBondContact CB-OG1 3.32Å; N285-T288 PolarHBondContact ND2-OG1 2.88Å; N285-T288 PolarHBondContact O-N 3Å; T288-Q290 PolarHBondContact O-N 2.83Å; T288-Q290 WeakPolarHBondContact OG1-CB 3.43Å; T288-Q290 WeakPolarHBondContact OG1-CG 3.36Å; T288-Q290 PolarHBondContact OG1-N 2.93Å; T288-Q290 PolarHBondContact OG1-OE1 2.74Å |
| 289 | G | 98.5 | Very high | 98.6 | Very high | 24 Ų | 24 | 21.5 Ų | 21.5 | 25% | 0.247 | 12% | 0.118 | C | C | . | . | trans | 75.1 | 2.4 | -170 | 0 | 0 | 0 | 0 | 0 | 114.4 | N285 | N285-G289 VanDerWaalsContact O-CA 3.29Å; N285-G289 WeakPolarHBondContact O-CA 3.03Å; N285-G289 PolarHBondContact O-N 2.92Å | ||
| 290 | Q | 98.8 | Very high | 98.5 | Very high | 48 Ų | 48 | 22.1 Ų | 22.1 | 22% | 0.224 | 12% | 0.122 | C | C | . | . | trans | -74.7 | 152.9 | -177.5 | -65.5 | 171.3 | -59.9 | 0 | 0 | 112.4 | D123 R124 I125 C126 N285 T288 | D123-Q290 WeakPolarHBondContact O-CG 3.36Å; D123-Q290 PolarHBondContact O-NE2 3.43Å; R124-Q290 CarbonylContact O-C 3.58Å; R124-Q290 WeakPolarHBondContact O-CA 3.4Å; R124-Q290 WeakPolarHBondContact O-CB 3.44Å; I125-Q290 PolarHBondContact O-NE2 3.36Å; C126-Q290 HydrophobicContact CB-CB 4.06Å; N285-Q290 PolarHBondContact N-O 2.79Å; T288-Q290 PolarHBondContact O-N 2.83Å; T288-Q290 WeakPolarHBondContact OG1-CB 3.43Å; T288-Q290 WeakPolarHBondContact OG1-CG 3.36Å; T288-Q290 PolarHBondContact OG1-N 2.93Å; T288-Q290 PolarHBondContact OG1-OE1 2.74Å | ||
| 291 | H | 98.8 | Very high | 98.4 | Very high | 10 Ų | 10 | 23.3 Ų | 23.3 | 5% | 0.046 | 13% | 0.134 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.4 | 122.8 | 175.1 | -55.8 | 70.2 | 0 | 0 | 0 | 108.6 | R124 I125 C126 P257 S258 V261 I282 | R124-H291 PolarHBondContact O-N 3.16Å; R124-H291 PolarHBondContact O-ND1 2.88Å; I125-H291 WeakPolarHBondContact CA-O 3.46Å; C126-H291 PolarHBondContact N-O 2.88Å; P257-H291 VanDerWaalsContact CA-NE2 3.26Å; P257-H291 WeakPolarHBondContact CA-NE2 3.18Å; S258-H291 PolarHBondContact N-NE2 3.09Å; V261-H291 HydrophobicContact CG1-CB 4.13Å; I282-H291 HydrophobicContact CG2-CB 4.07Å |
| 292 | A | 98.8 | Very high | 98.4 | Very high | 0 Ų | 0 | 23 Ų | 23 | 0% | 0 | 13% | 0.131 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.1 | 119.7 | 169.7 | 0 | 0 | 0 | 0 | 0 | 109.5 | C126 P128 I282 I283 I294 | C126-A292 WeakPolarHBondContact O-CA 3.22Å; P128-A292 HydrophobicContact CG-CB 3.77Å; I282-A292 WeakPolarHBondContact CA-O 3.21Å; I283-A292 HydrophobicContact CD1-CB 4.46Å; I283-A292 HydrophobicContact CG1-CB 3.9Å; I283-A292 PolarHBondContact N-O 3.39Å; I283-A292 PolarHBondContact O-N 2.93Å; A292-I294 HydrophobicContact CB-CG2 4.32Å; A292-I294 PolarHBondContact O-N 2.9Å |
| 293 | V | 98.8 | Very high | 98.2 | Very high | 4 Ų | 4 | 26 Ų | 26 | 2% | 0.024 | 15% | 0.146 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -80.7 | 111.9 | 169.6 | -176.2 | 0 | 0 | 0 | 0 | 108.2 | I113 L265 I280 I282 | I113-V293 HydrophobicContact CD1-CG1 3.79Å; I113-V293 HydrophobicContact CG2-CB 4.1Å; I113-V293 HydrophobicContact CG2-CG1 4.47Å; L265-V293 HydrophobicContact CD1-CG2 3.96Å; L265-V293 HydrophobicContact CD2-CG2 4.42Å; I280-V293 HydrophobicContact CB-CG1 4.17Å; I280-V293 HydrophobicContact CG2-CG1 4.32Å; I282-V293 HydrophobicContact CG1-CG2 4.3Å |
| 294 | I | 98.5 | Very high | 98.1 | Very high | 30 Ų | 30 | 28.9 Ų | 28.9 | 15% | 0.154 | 18% | 0.177 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.6 | -11.7 | -174.1 | 57.6 | 159.5 | 0 | 0 | 0 | 114 | Y110 P128 K157 L197 D281 I283 A292 | Y110-I294 PolarHBondContact OH-O 3Å; P128-I294 HydrophobicContact CG-CG2 4.47Å; K157-I294 PolarHBondContact NZ-O 3.28Å; L197-I294 HydrophobicContact CD1-CD1 4.32Å; D281-I294 HydrophobicContact CB-CG1 4.19Å; D281-I294 WeakPolarHBondContact O-CG1 3.34Å; D281-I294 PolarHBondContact O-N 3.13Å; I283-I294 HydrophobicContact CD1-CD1 4.26Å; I283-I294 HydrophobicContact CD1-CG2 3.64Å; I283-I294 HydrophobicContact CG1-CD1 4.42Å; I283-I294 HydrophobicContact CG1-CG1 4.48Å; I283-I294 HydrophobicContact CG1-CG2 3.83Å; I283-I294 HydrophobicContact CG2-CD1 3.7Å; I283-I294 HydrophobicContact CG2-CG1 4.28Å; A292-I294 HydrophobicContact CB-CG2 4.32Å; A292-I294 PolarHBondContact O-N 2.9Å |
| 295 | D | 98.4 | Very high | 98 | Very high | 25 Ų | 25 | 29.1 Ų | 29.1 | 13% | 0.134 | 18% | 0.178 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -156.5 | 151.5 | 173.1 | -158.1 | 35 | 0 | 0 | 0 | 110.7 | I280 D281 N297 | I280-D295 WeakPolarHBondContact CA-O 3.48Å; D281-D295 HydrophobicContact CB-CB 3.81Å; D281-D295 PolarHBondContact N-O 3.24Å; D295-N297 PolarHBondContact OD2-ND2 2.78Å; D295-N297 PolarHBondContact OD2-OD1 3.47Å |
| 296 | I | 98.4 | Very high | 97.9 | Very high | 3 Ų | 3 | 33.5 Ų | 33.5 | 2% | 0.015 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.6 | 132.9 | 173.6 | -179 | 167 | 0 | 0 | 0 | 109 | L103 I113 L269 L273 F278 G279 I280 | L103-I296 HydrophobicContact CD1-CG1 4.4Å; L103-I296 HydrophobicContact CD2-CB 4.38Å; L103-I296 HydrophobicContact CD2-CD1 3.74Å; L103-I296 HydrophobicContact CD2-CG1 3.78Å; L103-I296 HydrophobicContact CD2-CG2 3.77Å; I113-I296 HydrophobicContact CD1-CB 4.24Å; I113-I296 HydrophobicContact CD1-CG2 3.8Å; L269-I296 HydrophobicContact CD1-CD1 4.17Å; L269-I296 HydrophobicContact CD2-CD1 3.97Å; L273-I296 HydrophobicContact CD1-CD1 4.28Å; F278-I296 HydrophobicContact CD2-CD1 3.98Å; F278-I296 HydrophobicContact CD2-CG1 4.14Å; F278-I296 HydrophobicContact CE2-CD1 4.35Å; G279-I296 CarbonylContact O-C 3.49Å; G279-I296 VanDerWaalsContact O-CA 3.32Å; G279-I296 WeakPolarHBondContact O-CA 3.45Å; I280-I296 HydrophobicContact CG2-CB 4.17Å; I280-I296 HydrophobicContact CG2-CD1 3.93Å; I280-I296 HydrophobicContact CG2-CG1 3.89Å |
| 297 | N | 98 | Very high | 97.9 | Very high | 33 Ų | 33 | 37.6 Ų | 37.6 | 18% | 0.176 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.7 | 124.8 | -167.4 | -74.4 | -64.8 | 0 | 0 | 0 | 111.7 | F278 G279 D295 F299 P300 | F278-N297 CarbonylContact C-O 3.47Å; F278-N297 WeakPolarHBondContact CA-O 3.3Å; F278-N297 VanDerWaalsContact CB-O 3.3Å; F278-N297 WeakPolarHBondContact CB-O 3.23Å; G279-N297 PolarHBondContact N-O 2.93Å; G279-N297 PolarHBondContact O-N 2.99Å; D295-N297 PolarHBondContact OD2-ND2 2.78Å; D295-N297 PolarHBondContact OD2-OD1 3.47Å; N297-F299 PolarHBondContact O-N 3.15Å; N297-P300 HydrophobicContact CB-CB 4.34Å |
| 298 | A | 98.3 | Very high | 97.9 | Very high | 9 Ų | 9 | 31.5 Ų | 31.5 | 7% | 0.074 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -69.5 | 128.7 | 170.2 | 0 | 0 | 0 | 0 | 0 | 111.2 | K59 I100 L103 | K59-A298 VanDerWaalsContact CE-O 3.3Å; K59-A298 WeakPolarHBondContact CE-O 3.22Å; K59-A298 PolarHBondContact NZ-O 2.78Å; I100-A298 HydrophobicContact CD1-CB 3.86Å; L103-A298 HydrophobicContact CB-CB 4.3Å; L103-A298 HydrophobicContact CD1-CB 3.87Å |
| 299 | F | 98.5 | Very high | 97.9 | Very high | 5 Ų | 5 | 30.2 Ų | 30.2 | 2% | 0.022 | 19% | 0.189 | C | C | . | . | S | Bend | trans | 37.1 | 72.6 | 177.8 | -160.2 | -19.9 | 0 | 0 | 0 | 112.3 | L14 K18 L22 I57 H58 K59 L277 N297 Y302 F308 | L14-F299 HydrophobicContact CD2-CD2 4.27Å; L14-F299 HydrophobicContact CD2-CE2 3.81Å; L14-F299 HydrophobicContact CD2-CZ 4.34Å; K18-F299 PolarHBondContact NZ-O 3.44Å; L22-F299 HydrophobicContact CD1-CE1 3.7Å; L22-F299 HydrophobicContact CD1-CZ 3.99Å; I57-F299 HydrophobicContact CG2-CE2 3.63Å; I57-F299 HydrophobicContact CG2-CZ 4.29Å; H58-F299 WeakPolarHBondContact O-CD2 3.1Å; K59-F299 HydrophobicContact CB-CB 4.22Å; K59-F299 HydrophobicContact CB-CD2 4.08Å; K59-F299 HydrophobicContact CB-CG 4.34Å; K59-F299 HydrophobicContact CD-CB 4.07Å; K59-F299 WeakPolarHBondContact CD-O 3.29Å; K59-F299 HydrophobicContact CG-CB 4.12Å; K59-F299 PolarHBondContact NZ-O 3.06Å; L277-F299 HydrophobicContact CB-CB 4.41Å; L277-F299 HydrophobicContact CB-CD2 4.43Å; L277-F299 HydrophobicContact CB-CG 4.28Å; L277-F299 HydrophobicContact CD1-CD2 3.92Å; L277-F299 HydrophobicContact CD1-CE2 3.78Å; L277-F299 HydrophobicContact CD1-CG 4.49Å; L277-F299 HydrophobicContact CD1-CZ 4.2Å; L277-F299 WeakPolarHBondContact O-CA 3.35Å; L277-F299 PolarHBondContact O-N 3.43Å; N297-F299 PolarHBondContact O-N 3.15Å; F299-Y302 HydrophobicContact CD1-CD2 4.23Å; F299-Y302 AromaticContact CD1-CE2 3.54Å; F299-Y302 HydrophobicContact CD1-CE2 3.54Å; F299-Y302 HydrophobicContact CE1-CD2 4.16Å; F299-Y302 AromaticContact CE1-CE2 3.69Å; F299-Y302 HydrophobicContact CE1-CE2 3.69Å; F299-F308 HydrophobicContact CE1-CE2 4.44Å; F299-F308 AromaticContact CE1-CZ 3.77Å; F299-F308 HydrophobicContact CE1-CZ 3.77Å; F299-F308 HydrophobicContact CZ-CZ 4.14Å |
| 300 | P | 97.3 | Very high | 97.9 | Very high | 15 Ų | 15 | 31.9 Ų | 31.9 | 10% | 0.097 | 19% | 0.194 | C | C | . | . | trans | -71.5 | -166.8 | -176.5 | 33.3 | -39 | 0 | 0 | 0 | 112.2 | K18 F201 N297 Y302 | K18-P300 PolarHBondContact NZ-O 3.2Å; F201-P300 HydrophobicContact CD1-CB 4.18Å; F201-P300 HydrophobicContact CD1-CG 3.54Å; F201-P300 HydrophobicContact CE1-CB 3.84Å; F201-P300 HydrophobicContact CE1-CG 3.74Å; N297-P300 HydrophobicContact CB-CB 4.34Å; P300-Y302 HydrophobicContact CG-CD2 4.41Å; P300-Y302 HydrophobicContact CG-CE1 4.29Å; P300-Y302 HydrophobicContact CG-CE2 4.07Å; P300-Y302 WeakPolarHBondContact O-CD2 3.41Å | ||
| 301 | G | 96.2 | Very high | 97.8 | Very high | 24 Ų | 24 | 30.6 Ų | 30.6 | 25% | 0.247 | 19% | 0.189 | C | C | . | . | trans | -80.4 | -17.5 | -176.4 | 0 | 0 | 0 | 0 | 0 | 115.6 | L22 E303 | L22-G301 WeakPolarHBondContact CD2-O 3.42Å; G301-E303 PolarHBondContact O-N 3.09Å | ||
| 302 | Y | 98 | Very high | 97.8 | Very high | 7 Ų | 7 | 30.1 Ų | 30.1 | 3% | 0.027 | 19% | 0.187 | C | C | . | . | trans | 50.9 | 22.6 | -176.2 | -60.7 | -83.1 | 0 | 0 | 0 | 114.9 | F201 V202 V203 L277 F278 F299 P300 G304 V305 F308 | F201-Y302 HydrophobicContact CB-CD1 3.59Å; F201-Y302 HydrophobicContact CB-CE1 3.77Å; F201-Y302 HydrophobicContact CD1-CD1 4.02Å; F201-Y302 HydrophobicContact CD1-CE1 4.3Å; F201-Y302 AromaticContact CG-CD1 3.9Å; F201-Y302 HydrophobicContact CG-CD1 3.9Å; F201-Y302 HydrophobicContact CG-CE1 4.35Å; V202-Y302 PolarHBondContact O-OH 2.9Å; V203-Y302 HydrophobicContact CG2-CD1 4.13Å; V203-Y302 HydrophobicContact CG2-CE1 3.48Å; V203-Y302 VanDerWaalsContact CG2-CE1 3.48Å; L277-Y302 WeakPolarHBondContact CA-OH 3.37Å; F278-Y302 PolarHBondContact N-OH 3.38Å; F299-Y302 HydrophobicContact CD1-CD2 4.23Å; F299-Y302 AromaticContact CD1-CE2 3.54Å; F299-Y302 HydrophobicContact CD1-CE2 3.54Å; F299-Y302 HydrophobicContact CE1-CD2 4.16Å; F299-Y302 AromaticContact CE1-CE2 3.69Å; F299-Y302 HydrophobicContact CE1-CE2 3.69Å; P300-Y302 HydrophobicContact CG-CD2 4.41Å; P300-Y302 HydrophobicContact CG-CE1 4.29Å; P300-Y302 HydrophobicContact CG-CE2 4.07Å; P300-Y302 WeakPolarHBondContact O-CD2 3.41Å; Y302-G304 PolarHBondContact O-N 2.98Å; Y302-V305 HydrophobicContact CD1-CG2 4.42Å; Y302-V305 WeakPolarHBondContact O-CB 3.28Å; Y302-V305 PolarHBondContact O-N 2.83Å; Y302-F308 AromaticContact CD1-CD2 3.58Å; Y302-F308 HydrophobicContact CD1-CD2 3.58Å; Y302-F308 AromaticContact CD1-CE2 3.92Å; Y302-F308 HydrophobicContact CD1-CE2 3.92Å; Y302-F308 HydrophobicContact CD1-CG 4.45Å; Y302-F308 AromaticContact CD2-CD2 3.68Å; Y302-F308 HydrophobicContact CD2-CD2 3.68Å; Y302-F308 HydrophobicContact CD2-CE1 4.42Å; Y302-F308 AromaticContact CD2-CE2 3.34Å; Y302-F308 HydrophobicContact CD2-CE2 3.34Å; Y302-F308 HydrophobicContact CD2-CG 4.38Å; Y302-F308 AromaticContact CD2-CZ 3.76Å; Y302-F308 HydrophobicContact CD2-CZ 3.76Å; Y302-F308 AromaticContact CE1-CD2 4Å; Y302-F308 HydrophobicContact CE1-CD2 4Å; Y302-F308 AromaticContact CE1-CE2 3.99Å; Y302-F308 HydrophobicContact CE1-CE2 3.99Å; Y302-F308 HydrophobicContact CE2-CD2 4.02Å; Y302-F308 AromaticContact CE2-CE2 3.34Å; Y302-F308 HydrophobicContact CE2-CE2 3.34Å; Y302-F308 AromaticContact CE2-CZ 3.89Å; Y302-F308 HydrophobicContact CE2-CZ 3.89Å; Y302-F308 AromaticContact CG-CD2 3.43Å; Y302-F308 HydrophobicContact CG-CD2 3.43Å; Y302-F308 VanDerWaalsContact CG-CD2 3.43Å; Y302-F308 AromaticContact CG-CE2 3.64Å; Y302-F308 HydrophobicContact CG-CE2 3.64Å; Y302-F308 HydrophobicContact CG-CG 4.04Å; Y302-F308 HydrophobicContact CG-CZ 4.36Å; Y302-F308 AromaticContact CZ-CE2 3.7Å | ||
| 303 | E | 96.2 | Very high | 97.8 | Very high | 63 Ų | 63 | 30.3 Ų | 30.3 | 29% | 0.294 | 19% | 0.188 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -63.3 | 121.7 | 176.6 | -72.1 | 169.6 | -118.1 | 0 | 0 | 110 | K21 R212 P238 G301 | K21-E303 WeakPolarHBondContact CE-OE1 3.44Å; K21-E303 IonicContact NZ-OE1 2.73Å; K21-E303 PolarHBondContact NZ-OE1 3.46Å; R212-E303 PolarHBondContact NH2-O 3.02Å; P238-E303 WeakPolarHBondContact CG-OE2 3.37Å; G301-E303 PolarHBondContact O-N 3.09Å |
| 304 | G | 96 | Very high | 97.7 | Very high | 66 Ų | 66 | 32.8 Ų | 32.8 | 68% | 0.68 | 20% | 0.201 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 96.7 | 1.3 | -174 | 0 | 0 | 0 | 0 | 0 | 114.5 | Y302 | Y302-G304 PolarHBondContact O-N 2.98Š|
| 305 | V | 97.9 | Very high | 97.7 | Very high | 12 Ų | 12 | 31.7 Ų | 31.7 | 7% | 0.073 | 20% | 0.195 | C | C | . | . | trans | -105.2 | 94.7 | 176 | -171.8 | 0 | 0 | 0 | 0 | 109.4 | F201 T208 V210 Y302 E307 F308 | F201-V305 HydrophobicContact CB-CG2 3.86Å; F201-V305 HydrophobicContact CD2-CG2 3.36Å; F201-V305 HydrophobicContact CE2-CG2 4.19Å; F201-V305 HydrophobicContact CG-CG2 3.9Å; T208-V305 HydrophobicContact CG2-CG1 4.28Å; T208-V305 HydrophobicContact CG2-CG2 4.06Å; V210-V305 HydrophobicContact CG2-CG2 4.09Å; Y302-V305 HydrophobicContact CD1-CG2 4.42Å; Y302-V305 WeakPolarHBondContact O-CB 3.28Å; Y302-V305 PolarHBondContact O-N 2.83Å; V305-E307 VanDerWaalsContact C-N 3.28Å; V305-E307 PolarHBondContact O-N 2.85Å; V305-F308 HydrophobicContact CB-CB 4.32Å; V305-F308 HydrophobicContact CG1-CB 4.09Å; V305-F308 PolarHBondContact O-N 3.12Å | ||
| 306 | S | 96.6 | Very high | 97.7 | Very high | 107 Ų | 107 | 30.5 Ų | 30.5 | 75% | 0.748 | 19% | 0.189 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -63.7 | -34.7 | -179.3 | 59.9 | 0 | 0 | 0 | 0 | 112.7 | F308 | S306-F308 VanDerWaalsContact C-N 3.29Å; S306-F308 PolarHBondContact O-N 3.24Å |
| 307 | E | 96.9 | Very high | 97.6 | Very high | 95 Ų | 95 | 30.6 Ų | 30.6 | 44% | 0.444 | 19% | 0.19 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -85.2 | 4.4 | -174.9 | -57.6 | -47.2 | 113.4 | 0 | 0 | 114 | V305 F309 T310 D311 | V305-E307 VanDerWaalsContact C-N 3.28Å; V305-E307 PolarHBondContact O-N 2.85Å; E307-F309 VanDerWaalsContact C-N 3.27Å; E307-F309 PolarHBondContact O-N 3.48Å; E307-T310 WeakPolarHBondContact O-CA 3.42Å; E307-T310 WeakPolarHBondContact O-CB 3.43Å; E307-T310 PolarHBondContact O-N 3.02Å; E307-D311 PolarHBondContact O-N 3.23Å |
| 308 | F | 98.4 | Very high | 97.5 | Very high | 10 Ų | 10 | 31.3 Ų | 31.3 | 4% | 0.044 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -49 | -44.4 | -171.8 | 171 | -113.9 | 0 | 0 | 0 | 113.6 | L22 V203 F299 Y302 V305 S306 L312 | L22-F308 HydrophobicContact CD1-CE1 4.36Å; L22-F308 HydrophobicContact CD2-CE1 4.13Å; V203-F308 HydrophobicContact CG2-CD2 3.8Å; V203-F308 HydrophobicContact CG2-CE2 4Å; F299-F308 HydrophobicContact CE1-CE2 4.44Å; F299-F308 AromaticContact CE1-CZ 3.77Å; F299-F308 HydrophobicContact CE1-CZ 3.77Å; F299-F308 HydrophobicContact CZ-CZ 4.14Å; Y302-F308 AromaticContact CD1-CD2 3.58Å; Y302-F308 HydrophobicContact CD1-CD2 3.58Å; Y302-F308 AromaticContact CD1-CE2 3.92Å; Y302-F308 HydrophobicContact CD1-CE2 3.92Å; Y302-F308 HydrophobicContact CD1-CG 4.45Å; Y302-F308 AromaticContact CD2-CD2 3.68Å; Y302-F308 HydrophobicContact CD2-CD2 3.68Å; Y302-F308 HydrophobicContact CD2-CE1 4.42Å; Y302-F308 AromaticContact CD2-CE2 3.34Å; Y302-F308 HydrophobicContact CD2-CE2 3.34Å; Y302-F308 HydrophobicContact CD2-CG 4.38Å; Y302-F308 AromaticContact CD2-CZ 3.76Å; Y302-F308 HydrophobicContact CD2-CZ 3.76Å; Y302-F308 AromaticContact CE1-CD2 4Å; Y302-F308 HydrophobicContact CE1-CD2 4Å; Y302-F308 AromaticContact CE1-CE2 3.99Å; Y302-F308 HydrophobicContact CE1-CE2 3.99Å; Y302-F308 HydrophobicContact CE2-CD2 4.02Å; Y302-F308 AromaticContact CE2-CE2 3.34Å; Y302-F308 HydrophobicContact CE2-CE2 3.34Å; Y302-F308 AromaticContact CE2-CZ 3.89Å; Y302-F308 HydrophobicContact CE2-CZ 3.89Å; Y302-F308 AromaticContact CG-CD2 3.43Å; Y302-F308 HydrophobicContact CG-CD2 3.43Å; Y302-F308 VanDerWaalsContact CG-CD2 3.43Å; Y302-F308 AromaticContact CG-CE2 3.64Å; Y302-F308 HydrophobicContact CG-CE2 3.64Å; Y302-F308 HydrophobicContact CG-CG 4.04Å; Y302-F308 HydrophobicContact CG-CZ 4.36Å; Y302-F308 AromaticContact CZ-CE2 3.7Å; V305-F308 HydrophobicContact CB-CB 4.32Å; V305-F308 HydrophobicContact CG1-CB 4.09Å; V305-F308 PolarHBondContact O-N 3.12Å; S306-F308 VanDerWaalsContact C-N 3.29Å; S306-F308 PolarHBondContact O-N 3.24Å; F308-L312 HydrophobicContact CE1-CD2 4.32Å; F308-L312 HydrophobicContact CZ-CD2 3.94Å; F308-L312 VanDerWaalsContact O-CB 3.24Å; F308-L312 WeakPolarHBondContact O-CB 3.26Å; F308-L312 PolarHBondContact O-N 3.07Å |
| 309 | F | 98.4 | Very high | 97.4 | Very high | 44 Ų | 44 | 32.3 Ų | 32.3 | 19% | 0.193 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -72.5 | -35.7 | 180 | -67.7 | -26.1 | 0 | 0 | 0 | 114 | L22 N23 F24 A26 F27 L30 E307 L313 | L22-F309 WeakPolarHBondContact O-CZ 3.48Å; N23-F309 WeakPolarHBondContact O-CZ 3.33Å; F24-F309 HydrophobicContact CD2-CE1 4.47Å; A26-F309 HydrophobicContact CB-CD2 4.45Å; A26-F309 HydrophobicContact CB-CE2 3.76Å; A26-F309 HydrophobicContact CB-CZ 4.48Å; F27-F309 HydrophobicContact CB-CD1 3.59Å; F27-F309 HydrophobicContact CB-CD2 4.37Å; F27-F309 HydrophobicContact CB-CE1 3.59Å; F27-F309 HydrophobicContact CB-CE2 4.38Å; F27-F309 HydrophobicContact CB-CG 3.97Å; F27-F309 HydrophobicContact CB-CZ 3.96Å; F27-F309 HydrophobicContact CD2-CB 3.95Å; F27-F309 AromaticContact CD2-CD1 3.85Å; F27-F309 HydrophobicContact CD2-CD1 3.85Å; F27-F309 HydrophobicContact CD2-CG 4.09Å; F27-F309 HydrophobicContact CG-CD1 4.02Å; F27-F309 HydrophobicContact CG-CE1 4.37Å; F27-F309 HydrophobicContact CG-CG 4.49Å; L30-F309 HydrophobicContact CD2-CB 3.94Å; E307-F309 VanDerWaalsContact C-N 3.27Å; E307-F309 PolarHBondContact O-N 3.48Å; F309-L313 WeakPolarHBondContact O-CB 3.4Å; F309-L313 PolarHBondContact O-N 2.89Å |
| 310 | T | 97.9 | Very high | 97.2 | Very high | 59 Ų | 59 | 32.4 Ų | 32.4 | 36% | 0.362 | 20% | 0.202 | S | C | . | . | H | α-helix | trans | -65.1 | -45.9 | 174.1 | -58.5 | 0 | 0 | 0 | 0 | 109.7 | E307 L313 N314 | E307-T310 WeakPolarHBondContact O-CA 3.42Å; E307-T310 WeakPolarHBondContact O-CB 3.43Å; E307-T310 PolarHBondContact O-N 3.02Å; T310-L313 PolarHBondContact O-N 3.32Å; T310-N314 WeakPolarHBondContact O-CB 3.14Å; T310-N314 PolarHBondContact O-N 3.34Å; T310-N314 PolarHBondContact O-ND2 3.1Å |
| 311 | D | 98.4 | Very high | 97 | Very high | 22 Ų | 22 | 34.7 Ų | 34.7 | 12% | 0.118 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -65.1 | -42 | 179.1 | -66 | -16.8 | 0 | 0 | 0 | 111.6 | V203 E307 L313 N314 H315 | V203-D311 HydrophobicContact CB-CB 3.94Å; V203-D311 HydrophobicContact CG1-CB 3.86Å; V203-D311 HydrophobicContact CG2-CB 4.4Å; E307-D311 PolarHBondContact O-N 3.23Å; D311-L313 PolarHBondContact O-N 3.46Å; D311-N314 PolarHBondContact O-N 2.89Å; D311-H315 WeakPolarHBondContact O-CB 3.39Å; D311-H315 PolarHBondContact O-N 2.87Å |
| 312 | L | 98.7 | Very high | 96.6 | Very high | 0 Ų | 0 | 35.3 Ų | 35.3 | 0% | 0 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -63.5 | -43.1 | 177.3 | -179.9 | 60.5 | 0 | 0 | 0 | 111.4 | F24 F27 I57 V203 L277 F308 H315 I316 | F24-L312 HydrophobicContact CE2-CD2 3.99Å; F24-L312 HydrophobicContact CZ-CD2 4.46Å; F27-L312 HydrophobicContact CD1-CD2 4.15Å; F27-L312 HydrophobicContact CD2-CD2 4.02Å; F27-L312 HydrophobicContact CD2-CG 4.48Å; F27-L312 HydrophobicContact CE1-CD2 3.8Å; F27-L312 HydrophobicContact CE1-CG 4.32Å; F27-L312 HydrophobicContact CE2-CB 3.91Å; F27-L312 HydrophobicContact CE2-CD2 3.66Å; F27-L312 HydrophobicContact CE2-CG 3.7Å; F27-L312 HydrophobicContact CG-CD2 4.25Å; F27-L312 HydrophobicContact CZ-CB 4.33Å; F27-L312 HydrophobicContact CZ-CD2 3.54Å; F27-L312 HydrophobicContact CZ-CG 3.61Å; I57-L312 HydrophobicContact CD1-CD1 4.41Å; I57-L312 HydrophobicContact CD1-CD2 4.38Å; V203-L312 HydrophobicContact CG1-CB 4.12Å; V203-L312 HydrophobicContact CG1-CD1 4.44Å; L277-L312 HydrophobicContact CD1-CD1 3.94Å; L277-L312 HydrophobicContact CD2-CD1 3.67Å; L277-L312 HydrophobicContact CG-CD1 4.45Å; F308-L312 HydrophobicContact CE1-CD2 4.32Å; F308-L312 HydrophobicContact CZ-CD2 3.94Å; F308-L312 VanDerWaalsContact O-CB 3.24Å; F308-L312 WeakPolarHBondContact O-CB 3.26Å; F308-L312 PolarHBondContact O-N 3.07Å; L312-H315 PolarHBondContact O-N 2.92Å; L312-I316 HydrophobicContact CG-CD1 4.36Å; L312-I316 VanDerWaalsContact O-CG1 3.3Å; L312-I316 WeakPolarHBondContact O-CG1 3.29Å; L312-I316 PolarHBondContact O-N 3.23Å |
| 313 | L | 98.1 | Very high | 96.2 | Very high | 3 Ų | 3 | 37.5 Ų | 37.5 | 2% | 0.016 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -63.8 | -42.1 | 175.3 | 176.2 | 64.9 | 0 | 0 | 0 | 111.6 | L5 F27 L30 R34 I36 F309 T310 D311 H315 I316 A317 | L5-L313 HydrophobicContact CD1-CD1 4.21Å; F27-L313 HydrophobicContact CE2-CB 4.18Å; L30-L313 HydrophobicContact CD2-CB 4.45Å; L30-L313 HydrophobicContact CD2-CD2 4.09Å; L30-L313 HydrophobicContact CG-CD2 4.03Å; R34-L313 HydrophobicContact CG-CD2 3.84Å; I36-L313 HydrophobicContact CD1-CD1 3.55Å; F309-L313 WeakPolarHBondContact O-CB 3.4Å; F309-L313 PolarHBondContact O-N 2.89Å; T310-L313 PolarHBondContact O-N 3.32Å; D311-L313 PolarHBondContact O-N 3.46Å; L313-H315 VanDerWaalsContact C-N 3.33Å; L313-I316 PolarHBondContact O-N 3.02Å; L313-A317 PolarHBondContact O-N 3.25Å |
| 314 | N | 97.6 | Very high | 95.6 | Very high | 56 Ų | 56 | 37.7 Ų | 37.7 | 30% | 0.299 | 24% | 0.236 | S | C | . | . | H | α-helix | trans | -63.5 | -41.6 | 176.5 | -72.6 | -25.3 | 0 | 0 | 0 | 111 | Q2 T310 D311 A317 T318 | Q2-N314 PolarHBondContact NE2-OD1 2.93Å; T310-N314 WeakPolarHBondContact O-CB 3.14Å; T310-N314 PolarHBondContact O-N 3.34Å; T310-N314 PolarHBondContact O-ND2 3.1Å; D311-N314 PolarHBondContact O-N 2.89Å; N314-A317 WeakPolarHBondContact O-CB 3.41Å; N314-A317 PolarHBondContact O-N 2.77Å; N314-A317 VanDerWaalsContact O-N 3.16Å; N314-T318 PolarHBondContact O-N 3.03Å; N314-T318 PolarHBondContact O-OG1 3.46Å; N314-T318 VanDerWaalsContact O-OG1 3.1Å |
| 315 | H | 98.3 | Very high | 95 | Very high | 8 Ų | 8 | 38 Ų | 38 | 4% | 0.037 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -63.8 | -43.5 | 177.2 | -175.5 | 51 | 0 | 0 | 0 | 112.1 | V203 G204 E205 S276 D311 L312 L313 A317 T318 V319 | V203-H315 HydrophobicContact CG1-CB 4.37Å; G204-H315 VanDerWaalsContact CA-ND1 3.31Å; G204-H315 WeakPolarHBondContact CA-ND1 3.44Å; E205-H315 IonicContact OE1-CE1 2.74Å; E205-H315 IonicContact OE1-ND1 3.8Å; E205-H315 PolarHBondContact OE1-ND1 3.39Å; E205-H315 IonicContact OE2-CE1 2.69Å; E205-H315 IonicContact OE2-CG 3.64Å; E205-H315 IonicContact OE2-ND1 2.62Å; E205-H315 PolarHBondContact OE2-ND1 3.12Å; S276-H315 WeakPolarHBondContact CB-NE2 3.43Å; S276-H315 PolarHBondContact OG-NE2 3.47Å; D311-H315 WeakPolarHBondContact O-CB 3.39Å; D311-H315 PolarHBondContact O-N 2.87Å; L312-H315 PolarHBondContact O-N 2.92Å; L313-H315 VanDerWaalsContact C-N 3.33Å; H315-A317 VanDerWaalsContact C-N 3.25Å; H315-A317 PolarHBondContact O-N 3.06Å; H315-T318 WeakPolarHBondContact O-CB 3.36Å; H315-T318 PolarHBondContact O-N 2.88Å; H315-V319 WeakPolarHBondContact CE1-CG1 3.4Å; H315-V319 PolarHBondContact O-N 3.29Å |
| 316 | I | 97.8 | Very high | 93.8 | Very high | 0 Ų | 0 | 39.9 Ų | 39.9 | 0% | 0 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -55.6 | -43.3 | 172.2 | -70.2 | 165.4 | 0 | 0 | 0 | 110.8 | V10 F27 V55 I57 L94 L312 L313 T318 V319 L320 | V10-I316 HydrophobicContact CG2-CG2 4.48Å; F27-I316 HydrophobicContact CE1-CD1 4.29Å; F27-I316 HydrophobicContact CZ-CD1 3.59Å; V55-I316 HydrophobicContact CG2-CG2 4.3Å; I57-I316 HydrophobicContact CD1-CD1 3.69Å; I57-I316 HydrophobicContact CD1-CG1 4.45Å; L94-I316 HydrophobicContact CD1-CG1 4.21Å; L312-I316 HydrophobicContact CG-CD1 4.36Å; L312-I316 VanDerWaalsContact O-CG1 3.3Å; L312-I316 WeakPolarHBondContact O-CG1 3.29Å; L312-I316 PolarHBondContact O-N 3.23Å; L313-I316 PolarHBondContact O-N 3.02Å; I316-T318 VanDerWaalsContact C-N 3.35Å; I316-T318 PolarHBondContact O-N 3Å; I316-V319 VanDerWaalsContact O-CG2 3.29Å; I316-V319 WeakPolarHBondContact O-CG2 3.33Å; I316-L320 HydrophobicContact CG2-CD1 3.73Å; I316-L320 HydrophobicContact CG2-CG 4.47Å; I316-L320 WeakPolarHBondContact O-CB 3.37Å; I316-L320 WeakPolarHBondContact O-CD1 3.25Å; I316-L320 VanDerWaalsContact O-CG 3.24Å; I316-L320 WeakPolarHBondContact O-CG 3.1Å; I316-L320 PolarHBondContact O-N 3.24Å; I316-L320 VanDerWaalsContact O-N 3.11Å |
| 317 | A | 96.4 | Very high | 92.2 | Very high | 4 Ų | 4 | 39 Ų | 39 | 3% | 0.033 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -62.7 | -41.4 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | F4 L5 L313 N314 H315 Q321 | F4-A317 HydrophobicContact CE2-CB 4.09Å; F4-A317 VanDerWaalsContact CE2-O 3.27Å; F4-A317 WeakPolarHBondContact CE2-O 3.48Å; F4-A317 HydrophobicContact CZ-CB 4.09Å; F4-A317 VanDerWaalsContact CZ-O 3.29Å; F4-A317 WeakPolarHBondContact CZ-O 3.42Å; L5-A317 HydrophobicContact CD1-CB 4.09Å; L5-A317 HydrophobicContact CD2-CB 3.86Å; L5-A317 HydrophobicContact CG-CB 4.3Å; L313-A317 PolarHBondContact O-N 3.25Å; N314-A317 WeakPolarHBondContact O-CB 3.41Å; N314-A317 PolarHBondContact O-N 2.77Å; N314-A317 VanDerWaalsContact O-N 3.16Å; H315-A317 VanDerWaalsContact C-N 3.25Å; H315-A317 PolarHBondContact O-N 3.06Å; A317-Q321 WeakPolarHBondContact O-CB 3.05Å; A317-Q321 PolarHBondContact O-N 3.23Å |
| 318 | T | 96 | Very high | 90.3 | Very high | 48 Ų | 48 | 38.1 Ų | 38.1 | 29% | 0.294 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -62.2 | -48.5 | 178.1 | -57.4 | 0 | 0 | 0 | 0 | 112 | E205 N314 H315 I316 L320 Q321 G322 | E205-T318 HydrophobicContact CG-CG2 4.36Å; E205-T318 WeakPolarHBondContact OE1-CG2 3.36Å; N314-T318 PolarHBondContact O-N 3.03Å; N314-T318 PolarHBondContact O-OG1 3.46Å; N314-T318 VanDerWaalsContact O-OG1 3.1Å; H315-T318 WeakPolarHBondContact O-CB 3.36Å; H315-T318 PolarHBondContact O-N 2.88Å; I316-T318 VanDerWaalsContact C-N 3.35Å; I316-T318 PolarHBondContact O-N 3Å; T318-L320 PolarHBondContact O-N 3.35Å; T318-Q321 PolarHBondContact O-N 3.17Å; T318-G322 PolarHBondContact O-N 3.19Å |
| 319 | V | 96.3 | Very high | 87.9 | Confident | 31 Ų | 31 | 40.8 Ų | 40.8 | 19% | 0.188 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -67.7 | -37.8 | -177.8 | -60.7 | 0 | 0 | 0 | 0 | 112 | I92 H315 I316 G322 Q323 | I92-V319 HydrophobicContact CD1-CB 4.08Å; I92-V319 HydrophobicContact CD1-CG2 3.95Å; I92-V319 HydrophobicContact CG2-CB 4.2Å; I92-V319 HydrophobicContact CG2-CG2 4.02Å; H315-V319 WeakPolarHBondContact CE1-CG1 3.4Å; H315-V319 PolarHBondContact O-N 3.29Å; I316-V319 VanDerWaalsContact O-CG2 3.29Å; I316-V319 WeakPolarHBondContact O-CG2 3.33Å; V319-G322 PolarHBondContact O-N 2.85Å; V319-Q323 PolarHBondContact O-N 3.23Å |
| 320 | L | 94.5 | Very high | 85.4 | Confident | 7 Ų | 7 | 41.9 Ų | 41.9 | 4% | 0.037 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -64.5 | -41.3 | 174 | -73.2 | 169.6 | 0 | 0 | 0 | 112 | F4 L5 K8 D54 V55 I92 I316 T318 S324 | F4-L320 HydrophobicContact CE2-CB 4.26Å; L5-L320 HydrophobicContact CD2-CD1 3.84Å; K8-L320 HydrophobicContact CB-CD1 4.32Å; K8-L320 HydrophobicContact CD-CD1 4.33Å; K8-L320 HydrophobicContact CD-CD2 4.2Å; K8-L320 HydrophobicContact CG-CD1 4Å; D54-L320 HydrophobicContact CB-CD2 3.91Å; V55-L320 HydrophobicContact CG2-CD1 4.33Å; V55-L320 HydrophobicContact CG2-CD2 3.85Å; V55-L320 HydrophobicContact CG2-CG 4.05Å; I92-L320 HydrophobicContact CD1-CD2 4.06Å; I92-L320 HydrophobicContact CD1-CG 4.46Å; I316-L320 HydrophobicContact CG2-CD1 3.73Å; I316-L320 HydrophobicContact CG2-CG 4.47Å; I316-L320 WeakPolarHBondContact O-CB 3.37Å; I316-L320 WeakPolarHBondContact O-CD1 3.25Å; I316-L320 VanDerWaalsContact O-CG 3.24Å; I316-L320 WeakPolarHBondContact O-CG 3.1Å; I316-L320 PolarHBondContact O-N 3.24Å; I316-L320 VanDerWaalsContact O-N 3.11Å; T318-L320 PolarHBondContact O-N 3.35Å; L320-S324 WeakPolarHBondContact O-CB 3.32Å; L320-S324 PolarHBondContact O-N 3.42Å |
| 321 | Q | 91.6 | Very high | 82.7 | Confident | 63 Ų | 63 | 42.1 Ų | 42.1 | 29% | 0.294 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -63.5 | -45.4 | 174.3 | -177.1 | 64.3 | 46.9 | 0 | 0 | 111.1 | M1 F4 A317 T318 Q323 S324 T325 | M1-Q321 HydrophobicContact CE-CB 4.31Å; M1-Q321 HydrophobicContact CE-CG 4.2Å; F4-Q321 HydrophobicContact CE1-CB 4.21Å; F4-Q321 HydrophobicContact CE1-CG 4.45Å; F4-Q321 HydrophobicContact CE2-CB 4.31Å; F4-Q321 HydrophobicContact CZ-CB 3.75Å; F4-Q321 HydrophobicContact CZ-CG 4.45Å; A317-Q321 WeakPolarHBondContact O-CB 3.05Å; A317-Q321 PolarHBondContact O-N 3.23Å; T318-Q321 PolarHBondContact O-N 3.17Å; Q321-Q323 VanDerWaalsContact C-N 3.35Å; Q321-Q323 PolarHBondContact O-N 3.24Å; Q321-S324 PolarHBondContact O-N 3.42Å; Q321-T325 HydrophobicContact CG-CG2 4.49Å; Q321-T325 VanDerWaalsContact NE2-CG2 3.28Å; Q321-T325 WeakPolarHBondContact O-CG2 3.47Å; Q321-T325 PolarHBondContact O-N 2.96Å; Q321-T325 PolarHBondContact O-OG1 3.24Å; Q321-T325 VanDerWaalsContact O-OG1 3.08Å |
| 322 | G | 89.6 | Confident | 79.9 | Confident | 36 Ų | 36 | 47.9 Ų | 47.9 | 37% | 0.371 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -56.8 | -47.6 | 178.8 | 0 | 0 | 0 | 0 | 0 | 112 | T318 V319 T325 A326 | T318-G322 PolarHBondContact O-N 3.19Å; V319-G322 PolarHBondContact O-N 2.85Å; G322-T325 PolarHBondContact O-N 3.46Å; G322-T325 PolarHBondContact O-OG1 3.38Å; G322-A326 WeakPolarHBondContact O-CB 3.27Å; G322-A326 PolarHBondContact O-N 2.93Å |
| 323 | Q | 89.3 | Confident | 76.8 | Confident | 53 Ų | 53 | 54 Ų | 54 | 25% | 0.248 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -63.2 | -42.7 | 176 | -170.7 | -171.5 | 52.4 | 0 | 0 | 112.3 | E90 I92 V319 Q321 T325 A326 T327 | E90-Q323 PolarHBondContact O-NE2 2.7Å; I92-Q323 HydrophobicContact CD1-CB 4.09Å; V319-Q323 PolarHBondContact O-N 3.23Å; Q321-Q323 VanDerWaalsContact C-N 3.35Å; Q321-Q323 PolarHBondContact O-N 3.24Å; Q323-T325 VanDerWaalsContact C-N 3.33Å; Q323-T325 PolarHBondContact O-N 2.97Å; Q323-A326 PolarHBondContact O-N 3.2Å; Q323-T327 WeakPolarHBondContact O-CB 3.23Å; Q323-T327 WeakPolarHBondContact O-CG2 3.33Å; Q323-T327 PolarHBondContact O-N 2.81Å; Q323-T327 PolarHBondContact O-OG1 3.3Å |
| 324 | S | 83.9 | Confident | 73.6 | Confident | 67 Ų | 67 | 57.7 Ų | 57.7 | 47% | 0.469 | 39% | 0.388 | S | S | . | . | H | α-helix | trans | -64.3 | -37.1 | 177.7 | -175 | 0 | 0 | 0 | 0 | 112.5 | L320 Q321 T327 A328 | L320-S324 WeakPolarHBondContact O-CB 3.32Å; L320-S324 PolarHBondContact O-N 3.42Å; Q321-S324 PolarHBondContact O-N 3.42Å; S324-T327 WeakPolarHBondContact CA-OG1 3.28Å; S324-T327 PolarHBondContact O-OG1 3.43Å; S324-A328 WeakPolarHBondContact O-CB 3.26Å; S324-A328 PolarHBondContact O-N 3.08Å; S324-A328 VanDerWaalsContact O-N 3.1Å |
| 325 | T | 81.8 | Confident | 70.6 | Confident | 72 Ų | 72 | 60 Ų | 60 | 44% | 0.442 | 41% | 0.407 | S | S | . | . | H | α-helix | trans | -75.1 | -35.1 | 176.8 | 50.6 | 0 | 0 | 0 | 0 | 112.6 | Q321 G322 Q323 A328 A329 | Q321-T325 HydrophobicContact CG-CG2 4.49Å; Q321-T325 VanDerWaalsContact NE2-CG2 3.28Å; Q321-T325 WeakPolarHBondContact O-CG2 3.47Å; Q321-T325 PolarHBondContact O-N 2.96Å; Q321-T325 PolarHBondContact O-OG1 3.24Å; Q321-T325 VanDerWaalsContact O-OG1 3.08Å; G322-T325 PolarHBondContact O-N 3.46Å; G322-T325 PolarHBondContact O-OG1 3.38Å; Q323-T325 VanDerWaalsContact C-N 3.33Å; Q323-T325 PolarHBondContact O-N 2.97Å; T325-A328 PolarHBondContact O-N 2.97Å; T325-A329 WeakPolarHBondContact O-CB 3.48Å; T325-A329 PolarHBondContact O-N 3.01Å |
| 326 | A | 74.1 | Confident | 67.6 | Low | 53 Ų | 53 | 68.1 Ų | 68.1 | 44% | 0.438 | 45% | 0.449 | S | S | . | . | H | α-helix | trans | -66.6 | -43.9 | 176.1 | 0 | 0 | 0 | 0 | 0 | 111.1 | G322 Q323 A328 A329 T330 | G322-A326 WeakPolarHBondContact O-CB 3.27Å; G322-A326 PolarHBondContact O-N 2.93Å; Q323-A326 PolarHBondContact O-N 3.2Å; A326-A328 VanDerWaalsContact C-N 3.35Å; A326-A328 PolarHBondContact O-N 3.17Å; A326-A329 PolarHBondContact O-N 2.98Å; A326-T330 WeakPolarHBondContact O-CG2 3.3Å; A326-T330 PolarHBondContact O-N 3.27Å; A326-T330 PolarHBondContact O-OG1 3.19Å; A326-T330 VanDerWaalsContact O-OG1 3.05Å |
| 327 | T | 62.8 | Low | 64.7 | Low | 88 Ų | 88 | 79.6 Ų | 79.6 | 54% | 0.54 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -64 | -37.7 | 174.8 | 45.7 | 0 | 0 | 0 | 0 | 112.4 | Q323 S324 T330 | Q323-T327 WeakPolarHBondContact O-CB 3.23Å; Q323-T327 WeakPolarHBondContact O-CG2 3.33Å; Q323-T327 PolarHBondContact O-N 2.81Å; Q323-T327 PolarHBondContact O-OG1 3.3Å; S324-T327 WeakPolarHBondContact CA-OG1 3.28Å; S324-T327 PolarHBondContact O-OG1 3.43Å; T327-T330 WeakPolarHBondContact CA-OG1 3.36Å; T327-T330 PolarHBondContact O-OG1 2.93Å |
| 328 | A | 56.2 | Low | 61.9 | Low | 77 Ų | 77 | 88.5 Ų | 88.5 | 64% | 0.636 | 53% | 0.533 | S | S | * | . | H | α-helix | trans | -67.5 | -36.4 | 172.5 | 0 | 0 | 0 | 0 | 0 | 113.1 | S324 T325 A326 | S324-A328 WeakPolarHBondContact O-CB 3.26Å; S324-A328 PolarHBondContact O-N 3.08Å; S324-A328 VanDerWaalsContact O-N 3.1Å; T325-A328 PolarHBondContact O-N 2.97Å; A326-A328 VanDerWaalsContact C-N 3.35Å; A326-A328 PolarHBondContact O-N 3.17Å |
| 329 | A | 48.3 | Very low | 59.2 | Low | 65 Ų | 65 | 90.1 Ų | 90.1 | 54% | 0.537 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -72.1 | -36.4 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | T325 A326 G331 D332 | T325-A329 WeakPolarHBondContact O-CB 3.48Å; T325-A329 PolarHBondContact O-N 3.01Å; A326-A329 PolarHBondContact O-N 2.98Å; A329-G331 PolarHBondContact O-N 3.38Å; A329-G331 VanDerWaalsContact O-N 3.14Å; A329-D332 CarbonylContact O-C 3.54Å; A329-D332 PolarHBondContact O-N 2.8Å; A329-D332 VanDerWaalsContact O-N 3.13Å |
| 330 | T | 46.3 | Very low | 56.3 | Low | 67 Ų | 67 | 98.1 Ų | 98.1 | 41% | 0.411 | 58% | 0.578 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -71.3 | -1.8 | 176.5 | 50.3 | 0 | 0 | 0 | 0 | 114.5 | A326 T327 D332 P335 | A326-T330 WeakPolarHBondContact O-CG2 3.3Å; A326-T330 PolarHBondContact O-N 3.27Å; A326-T330 PolarHBondContact O-OG1 3.19Å; A326-T330 VanDerWaalsContact O-OG1 3.05Å; T327-T330 WeakPolarHBondContact CA-OG1 3.36Å; T327-T330 PolarHBondContact O-OG1 2.93Å; T330-D332 PolarHBondContact O-N 3.32Å; T330-P335 HydrophobicContact CG2-CG 4.31Å |
| 331 | G | 40.8 | Very low | 53.7 | Low | 65 Ų | 65 | 102.3 Ų | 102.3 | 67% | 0.67 | 60% | 0.6 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -62.7 | -18.9 | 164.1 | 0 | 0 | 0 | 0 | 0 | 113.1 | A329 | A329-G331 PolarHBondContact O-N 3.38Å; A329-G331 VanDerWaalsContact O-N 3.14Å |
| 332 | D | 40 | Very low | 51.2 | Low | 142 Ų | 142 | 106.2 Ų | 106.2 | 76% | 0.759 | 62% | 0.622 | S | S | * | * | S | Bend | trans | -138.9 | 108.5 | 165.6 | -91.5 | -35.3 | 0 | 0 | 0 | 108.9 | A329 T330 | A329-D332 CarbonylContact O-C 3.54Å; A329-D332 PolarHBondContact O-N 2.8Å; A329-D332 VanDerWaalsContact O-N 3.13Å; T330-D332 PolarHBondContact O-N 3.32Å |
| 333 | V | 32.9 | Very low | 48.5 | Very low | 129 Ų | 129 | 108.6 Ų | 108.6 | 78% | 0.782 | 64% | 0.638 | S | S | * | * | S | Bend | trans | 85.6 | 134 | 172.5 | -163.3 | 0 | 0 | 0 | 0 | 116.7 | ||
| 334 | A | 30.9 | Very low | 45.9 | Very low | 81 Ų | 81 | 114.1 Ų | 114.1 | 67% | 0.669 | 66% | 0.664 | S | S | * | * | P | Polyproline II helix | trans | -58.3 | 159.2 | -171.7 | 0 | 0 | 0 | 0 | 0 | 115.8 | ||
| 335 | P | 35.4 | Very low | 43.4 | Very low | 105 Ų | 105 | 117 Ų | 117 | 68% | 0.682 | 68% | 0.681 | S | S | * | * | P | Polyproline II helix | trans | -71.5 | 135.6 | -171.6 | -10.5 | 26.5 | 0 | 0 | 0 | 112.6 | T330 R337 | T330-P335 HydrophobicContact CG2-CG 4.31Å; P335-R337 PolarHBondContact O-N 3.2Å |
| 336 | L | 34.2 | Very low | 41 | Very low | 178 Ų | 178 | 118.6 Ų | 118.6 | 93% | 0.932 | 70% | 0.702 | S | S | * | * | P | Polyproline II helix | trans | -64.2 | 124.5 | 169.9 | -81.3 | 150.4 | 0 | 0 | 0 | 110.4 | ||
| 337 | R | 37.7 | Very low | 38.7 | Very low | 240 Ų | 240 | 119.5 Ų | 119.5 | 91% | 0.906 | 72% | 0.717 | S | S | * | * | P | Polyproline II helix | trans | -66.7 | 157.2 | -177.5 | -73.8 | -177.8 | 171.8 | -173.4 | -2.8 | 113.5 | P335 | P335-R337 PolarHBondContact O-N 3.2Š|
| 338 | H | 37.6 | Very low | 37 | Very low | 192 Ų | 192 | 119 Ų | 119 | 89% | 0.889 | 73% | 0.728 | S | S | * | * | trans | -39.6 | 145.8 | 169.4 | -71.9 | -43.5 | 0 | 0 | 0 | 115.5 | ||||
| 339 | S | 38.6 | Very low | 35.6 | Very low | 81 Ų | 81 | 123.6 Ų | 123.6 | 57% | 0.566 | 74% | 0.742 | S | S | * | * | trans | -51.4 | 136.8 | 178.8 | -176.8 | 0 | 0 | 0 | 0 | 113.5 | L341 | S339-L341 PolarHBondContact O-N 3.45Å; S339-L341 VanDerWaalsContact O-N 3.12Å; S339-L341 PolarHBondContact OG-N 3.04Å | ||
| 340 | K | 36.3 | Very low | 34.7 | Very low | 200 Ų | 200 | 127.5 Ų | 127.5 | 87% | 0.87 | 76% | 0.759 | S | S | * | * | G | 310 helix | trans | -65.5 | -2.2 | 175.1 | -89.4 | -179.1 | 175.1 | 178.9 | 0 | 114.7 | L342 | K340-L342 PolarHBondContact O-N 3.21Š|
| 341 | L | 39.5 | Very low | 33.7 | Very low | 94 Ų | 94 | 127.8 Ų | 127.8 | 49% | 0.492 | 78% | 0.775 | S | S | . | * | G | 310 helix | trans | -70 | -11.5 | -174.2 | -83.2 | 161.5 | 0 | 0 | 0 | 114.8 | Y119 S339 | Y119-L341 HydrophobicContact CD2-CD2 4.24Å; Y119-L341 HydrophobicContact CE2-CD2 4.46Å; Y119-L341 HydrophobicContact CG-CD2 4.32Å; S339-L341 PolarHBondContact O-N 3.45Å; S339-L341 VanDerWaalsContact O-N 3.12Å; S339-L341 PolarHBondContact OG-N 3.04Å |
| 342 | L | 39 | Very low | 33.1 | Very low | 145 Ų | 145 | 133.7 Ų | 133.7 | 76% | 0.759 | 79% | 0.785 | S | S | * | * | G | 310 helix | trans | -119.7 | 12.4 | -175.6 | -70.3 | 171.3 | 0 | 0 | 0 | 115.2 | K340 E344 | K340-L342 PolarHBondContact O-N 3.21Å; L342-E344 PolarHBondContact O-N 3.04Å |
| 343 | A | 33.5 | Very low | 32.5 | Very low | 86 Ų | 86 | 138.8 Ų | 138.8 | 71% | 0.711 | 79% | 0.794 | S | S | * | * | trans | -83.3 | 99.6 | 176.1 | 0 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 344 | E | 33.8 | Very low | 32.1 | Very low | 170 Ų | 170 | 138.7 Ų | 138.7 | 79% | 0.794 | 79% | 0.794 | S | S | * | * | trans | -70.5 | 136.6 | 162.8 | -69 | -145.3 | 143.6 | 0 | 0 | 110.4 | L342 A346 | L342-E344 PolarHBondContact O-N 3.04Å; E344-A346 PolarHBondContact O-N 3.27Å | ||
| 345 | P | 31.3 | Very low | 31.8 | Very low | 126 Ų | 126 | 140.4 Ų | 140.4 | 82% | 0.818 | 80% | 0.799 | S | S | * | * | trans | -77.9 | 103.3 | 172.7 | 29.5 | -29 | 0 | 0 | 0 | 109.9 | G347 | P345-G347 VanDerWaalsContact C-N 3.29Å; P345-G347 PolarHBondContact O-N 3.16Å | ||
| 346 | A | 31.4 | Very low | 31.3 | Very low | 106 Ų | 106 | 140.8 Ų | 140.8 | 88% | 0.876 | 81% | 0.805 | S | S | * | * | trans | -69.6 | 87.3 | 160.7 | 0 | 0 | 0 | 0 | 0 | 109.2 | E344 G348 | E344-A346 PolarHBondContact O-N 3.27Å; A346-G348 PolarHBondContact O-N 3.05Å | ||
| 347 | G | 26.7 | Very low | 30.9 | Very low | 73 Ų | 73 | 137.3 Ų | 137.3 | 75% | 0.753 | 80% | 0.801 | S | S | * | * | trans | -83.7 | 84.8 | 172.3 | 0 | 0 | 0 | 0 | 0 | 111.4 | P345 | P345-G347 VanDerWaalsContact C-N 3.29Å; P345-G347 PolarHBondContact O-N 3.16Å | ||
| 348 | G | 25.7 | Very low | 30.2 | Very low | 76 Ų | 76 | 131.5 Ų | 131.5 | 78% | 0.784 | 80% | 0.798 | S | S | * | * | trans | -79.1 | 120.8 | 160.6 | 0 | 0 | 0 | 0 | 0 | 109.8 | A346 | A346-G348 PolarHBondContact O-N 3.05Š| ||
| 349 | L | 28.4 | Very low | 30.5 | Very low | 175 Ų | 175 | 128.6 Ų | 128.6 | 92% | 0.916 | 80% | 0.796 | S | S | * | * | trans | -115.2 | 104.5 | 169.1 | -80.4 | 166.6 | 0 | 0 | 0 | 108.6 | ||||
| 350 | T | 28.7 | Very low | 29.9 | Very low | 146 Ų | 146 | 128.3 Ų | 128.3 | 90% | 0.896 | 81% | 0.806 | S | S | * | * | trans | -130 | 126.3 | 160 | 46.8 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 351 | G | 25.6 | Very low | 29.3 | Very low | 73 Ų | 73 | 124.6 Ų | 124.6 | 75% | 0.753 | 80% | 0.804 | S | S | * | * | trans | 99.4 | 134.7 | 160.9 | 0 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 352 | E | 27.5 | Very low | 28.6 | Very low | 189 Ų | 189 | 126.4 Ų | 126.4 | 88% | 0.883 | 82% | 0.823 | S | S | * | * | cis | -162.8 | 149.4 | 0.3 | -80.7 | 175.7 | 127.5 | 0 | 0 | 105.8 | ||||
| 353 | R | 27.8 | Very low | 27.9 | Very low | 249 Ų | 249 | 123.4 Ų | 123.4 | 94% | 0.94 | 83% | 0.827 | S | S | * | * | trans | -154.7 | 115.7 | 148.9 | -110.1 | 172.4 | -167.4 | -166.6 | 3.7 | 110.2 | ||||
| 354 | T | 25.5 | Very low | 27.6 | Very low | 127 Ų | 127 | 124.7 Ų | 124.7 | 78% | 0.779 | 83% | 0.831 | S | S | * | * | trans | -56.1 | 149.2 | 174.8 | 42.1 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 355 | C | 24.7 | Very low | 27.3 | Very low | 117 Ų | 117 | 125.9 Ų | 125.9 | 79% | 0.791 | 84% | 0.839 | S | S | * | * | 179 | 114.3 | 118.4 | -89.4 | 0 | 0 | 0 | 0 | 113 | |||||
| 356 | S | 24.4 | Very low | 27.2 | Very low | 114 Ų | 114 | 128.1 Ų | 128.1 | 80% | 0.797 | 84% | 0.84 | S | S | * | * | trans | 20.6 | 124.4 | 143.5 | 57.7 | 0 | 0 | 0 | 0 | 122.5 | ||||
| 357 | A | 25 | Very low | 26.9 | Very low | 104 Ų | 104 | 126.2 Ų | 126.2 | 86% | 0.86 | 83% | 0.831 | S | S | * | * | 174.9 | 134.8 | 112.2 | 0 | 0 | 0 | 0 | 0 | 111.7 | |||||
| 358 | S | 24.1 | Very low | 27 | Very low | 119 Ų | 119 | 130.6 Ų | 130.6 | 83% | 0.832 | 83% | 0.832 | S | S | * | * | trans | -113.6 | 179.5 | 164.5 | -52.1 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 359 | P | 43.6 | Very low | 27 | Very low | 131 Ų | 131 | 133.9 Ų | 133.9 | 85% | 0.851 | 83% | 0.831 | S | S | * | * | cis | -137.9 | 176 | -0.3 | 37.7 | -17.6 | 0 | 0 | 0 | 115.3 | ||||
| 360 | G | 25 | Very low | 26.9 | Very low | 75 Ų | 75 | 129.7 Ų | 129.7 | 77% | 0.773 | 82% | 0.822 | S | S | * | * | trans | -176 | 98.8 | 167.4 | 0 | 0 | 0 | 0 | 0 | 117.8 | ||||
| 361 | C | 24.3 | Very low | 27.5 | Very low | 121 Ų | 121 | 127.9 Ų | 127.9 | 82% | 0.818 | 81% | 0.812 | S | S | * | * | trans | 53.6 | 114.6 | 142.6 | -80.1 | 0 | 0 | 0 | 0 | 124.6 | ||||
| 362 | C | 24.2 | Very low | 27.5 | Very low | 132 Ų | 132 | 135.9 Ų | 135.9 | 89% | 0.892 | 82% | 0.82 | S | S | * | * | 55 | 127.8 | 118.9 | -60.4 | 0 | 0 | 0 | 0 | 122.6 | |||||
| 363 | G | 25.9 | Very low | 27.3 | Very low | 83 Ų | 83 | 136.8 Ų | 136.8 | 86% | 0.856 | 82% | 0.821 | S | S | * | * | trans | 160.9 | 88.2 | 150.9 | 0 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 364 | S | 26 | Very low | 27.3 | Very low | 112 Ų | 112 | 129.3 Ų | 129.3 | 78% | 0.783 | 81% | 0.813 | S | S | * | * | trans | -78.6 | 145.2 | 172 | 177.8 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 365 | M | 27.2 | Very low | 27.3 | Very low | 196 Ų | 196 | 133 Ų | 133 | 97% | 0.966 | 82% | 0.821 | S | S | * | * | trans | -163.2 | 140.8 | 133.1 | -109.6 | -173.5 | 155.7 | 0 | 0 | 113.7 | ||||
| 366 | M | 29.1 | Very low | 27.4 | Very low | 173 Ų | 173 | 132 Ų | 132 | 85% | 0.852 | 82% | 0.821 | S | S | * | * | trans | -83.1 | 164.8 | -171.9 | -80 | -166.8 | 161.1 | 0 | 0 | 115.6 | ||||
| 367 | G | 26.4 | Very low | 27.5 | Very low | 65 Ų | 65 | 134.8 Ų | 134.8 | 67% | 0.67 | 83% | 0.827 | S | S | * | * | trans | 150.1 | 99.6 | 141.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 368 | Q | 27.4 | Very low | 27.6 | Very low | 166 Ų | 166 | 134.2 Ų | 134.2 | 78% | 0.776 | 82% | 0.823 | S | S | * | * | 61.7 | 131 | 86.8 | -76.3 | -177.5 | 6.6 | 0 | 0 | 112.1 | |||||
| 369 | D | 26.5 | Very low | 27.7 | Very low | 144 Ų | 144 | 132.6 Ų | 132.6 | 77% | 0.77 | 82% | 0.824 | S | S | * | * | cis | -161.1 | 166.9 | 20.1 | -95.5 | -35.7 | 0 | 0 | 0 | 111.8 | ||||
| 370 | A | 26.7 | Very low | 26.8 | Very low | 88 Ų | 88 | 130.2 Ų | 130.2 | 73% | 0.727 | 82% | 0.824 | S | S | * | * | trans | -78.3 | -154.5 | -178.7 | 0 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 371 | P | 41.4 | Very low | 26.9 | Very low | 107 Ų | 107 | 133.6 Ų | 133.6 | 70% | 0.695 | 83% | 0.83 | S | S | * | * | cis | -143.7 | 174.7 | -9.2 | 32.3 | -8 | 0 | 0 | 0 | 117.4 | ||||
| 372 | W | 24.1 | Very low | 27.2 | Very low | 241 Ų | 241 | 132.9 Ų | 132.9 | 91% | 0.913 | 83% | 0.832 | S | S | * | * | trans | 12.6 | 142.1 | 151.3 | -77.4 | -60.3 | 0 | 0 | 0 | 123.4 | ||||
| 373 | K | 24.8 | Very low | 27.3 | Very low | 209 Ų | 209 | 136.5 Ų | 136.5 | 91% | 0.909 | 83% | 0.833 | S | S | * | * | -169.4 | 142.7 | 110.1 | -102.9 | -175 | -175.2 | -167.4 | 0 | 113.5 | |||||
| 374 | A | 27.1 | Very low | 27.4 | Very low | 92 Ų | 92 | 139.6 Ų | 139.6 | 76% | 0.76 | 83% | 0.829 | S | S | * | * | trans | -110.9 | 147 | 162.4 | 0 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 375 | E | 26.1 | Very low | 27.6 | Very low | 205 Ų | 205 | 140 Ų | 140 | 96% | 0.958 | 83% | 0.829 | S | S | * | * | trans | -169.5 | 157.3 | 140 | -113 | 177.3 | 173.3 | 0 | 0 | 111.9 | ||||
| 376 | A | 26.7 | Very low | 27.6 | Very low | 96 Ų | 96 | 138.8 Ų | 138.8 | 79% | 0.793 | 82% | 0.821 | S | S | * | * | trans | -86.7 | 170.8 | -162.9 | 0 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 377 | D | 25.9 | Very low | 27.6 | Very low | 171 Ų | 171 | 139.3 Ų | 139.3 | 91% | 0.914 | 82% | 0.821 | S | S | * | * | trans | -148 | 153.1 | 141 | -140.3 | -11.6 | 0 | 0 | 0 | 112.5 | ||||
| 378 | A | 27.9 | Very low | 27.6 | Very low | 93 Ų | 93 | 148 Ų | 148 | 77% | 0.769 | 83% | 0.834 | S | S | * | * | trans | -104.8 | 161 | -160.3 | 0 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 379 | G | 25.6 | Very low | 27.8 | Very low | 84 Ų | 84 | 148.3 Ų | 148.3 | 87% | 0.866 | 84% | 0.84 | S | S | * | * | trans | 112.4 | 124.8 | 139 | 0 | 0 | 0 | 0 | 0 | 117.9 | ||||
| 380 | G | 25.3 | Very low | 27.7 | Very low | 82 Ų | 82 | 144.7 Ų | 144.7 | 85% | 0.845 | 84% | 0.836 | S | S | * | * | trans | 148.8 | 82.9 | 156.7 | 0 | 0 | 0 | 0 | 0 | 116.6 | ||||
| 381 | T | 27.1 | Very low | 27.7 | Very low | 145 Ų | 145 | 146.5 Ų | 146.5 | 89% | 0.89 | 84% | 0.842 | S | S | * | * | trans | -65.2 | 133.4 | 166 | 43.1 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 382 | A | 29 | Very low | 27 | Very low | 106 Ų | 106 | 149.1 Ų | 149.1 | 88% | 0.876 | 85% | 0.85 | S | S | * | * | trans | -163.1 | 151.6 | 147.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 383 | K | 28.3 | Very low | 27.3 | Very low | 208 Ų | 208 | 144.1 Ų | 144.1 | 90% | 0.904 | 85% | 0.847 | S | S | * | * | trans | -80.9 | 154.1 | -161.8 | -64.1 | 168.6 | 171.6 | 174.4 | 0 | 114.6 | ||||
| 384 | L | 25.9 | Very low | 27.4 | Very low | 149 Ų | 149 | 139.7 Ų | 139.7 | 78% | 0.78 | 84% | 0.842 | S | S | * | * | trans | -32.1 | 151.6 | 154.5 | -86.1 | 156 | 0 | 0 | 0 | 114.6 | ||||
| 385 | P | 31.6 | Very low | 27.6 | Very low | 120 Ų | 120 | 144.5 Ų | 144.5 | 78% | 0.779 | 85% | 0.851 | S | S | * | * | -146.6 | 160.1 | 76.2 | 36.5 | -16.7 | 0 | 0 | 0 | 118.2 | |||||
| 386 | H | 27.6 | Very low | 27.6 | Very low | 171 Ų | 171 | 140.2 Ų | 140.2 | 79% | 0.792 | 84% | 0.844 | S | S | * | * | trans | -29.6 | 133.9 | 162.1 | -72.9 | -78.6 | 0 | 0 | 0 | 116.2 | ||||
| 387 | Q | 28.4 | Very low | 27.8 | Very low | 183 Ų | 183 | 141.7 Ų | 141.7 | 86% | 0.855 | 85% | 0.846 | S | S | * | * | trans | -131 | 119 | 147 | -104.8 | -178.3 | 2.1 | 0 | 0 | 110.7 | ||||
| 388 | R | 27.2 | Very low | 28.1 | Very low | 247 Ų | 247 | 138.5 Ų | 138.5 | 93% | 0.932 | 84% | 0.837 | S | S | * | * | trans | -57.2 | 134.1 | 160.1 | -72.9 | 175.7 | 175.1 | -175.2 | -2.7 | 108.7 | ||||
| 389 | L | 30.4 | Very low | 28.1 | Very low | 174 Ų | 174 | 144 Ų | 144 | 91% | 0.911 | 84% | 0.843 | S | S | * | * | trans | -113.1 | 119.9 | 159.7 | -87.7 | 156.6 | 0 | 0 | 0 | 108.5 | ||||
| 390 | G | 25.7 | Very low | 28.3 | Very low | 67 Ų | 67 | 149 Ų | 149 | 69% | 0.691 | 85% | 0.845 | S | S | * | * | trans | -83.5 | 173.6 | -172.2 | 0 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 391 | C | 25 | Very low | 28.6 | Very low | 127 Ų | 127 | 153.5 Ų | 153.5 | 86% | 0.858 | 84% | 0.843 | S | S | * | * | trans | -54.5 | 130.8 | 176.4 | -54 | 0 | 0 | 0 | 0 | 112 | ||||
| 392 | N | 26.6 | Very low | 28.8 | Very low | 161 Ų | 161 | 154.8 Ų | 154.8 | 86% | 0.861 | 84% | 0.839 | S | S | * | * | trans | -113.1 | 112.7 | 157.5 | -89.3 | -15.8 | 0 | 0 | 0 | 109.3 | ||||
| 393 | T | 30.5 | Very low | 28.7 | Very low | 137 Ų | 137 | 156.2 Ų | 156.2 | 84% | 0.84 | 84% | 0.841 | S | S | * | * | trans | -68.6 | 123 | 162 | 40.6 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 394 | S | 28.1 | Very low | 28.8 | Very low | 116 Ų | 116 | 152.8 Ų | 152.8 | 81% | 0.811 | 84% | 0.837 | S | S | * | * | trans | -142 | 90.4 | 159.7 | 60.9 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 395 | M | 29.8 | Very low | 28.9 | Very low | 192 Ų | 192 | 149.9 Ų | 149.9 | 95% | 0.946 | 83% | 0.834 | S | S | * | * | P | Polyproline II helix | trans | -91.3 | 132.3 | 162.6 | -76.6 | -74.4 | -177.9 | 0 | 0 | 108.2 | ||
| 396 | S | 26.9 | Very low | 28.9 | Very low | 116 Ų | 116 | 150.2 Ų | 150.2 | 81% | 0.811 | 84% | 0.84 | S | S | * | * | P | Polyproline II helix | trans | -97.2 | 149.6 | 168.7 | -63.4 | 0 | 0 | 0 | 0 | 110.5 | ||
| 397 | P | 30.8 | Very low | 29 | Very low | 127 Ų | 127 | 149.9 Ų | 149.9 | 83% | 0.825 | 84% | 0.843 | S | S | * | * | P | Polyproline II helix | trans | -96.4 | 124.5 | -162.6 | 35.3 | -28.8 | 0 | 0 | 0 | 112 | ||
| 398 | S | 31.7 | Very low | 29.1 | Very low | 104 Ų | 104 | 146 Ų | 146 | 73% | 0.727 | 84% | 0.842 | S | S | * | * | trans | -162.5 | 143.5 | 153.8 | 43.6 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 399 | F | 29.2 | Very low | 29.2 | Very low | 207 Ų | 207 | 141 Ų | 141 | 91% | 0.908 | 84% | 0.839 | S | S | * | * | trans | 83.5 | 67.1 | -177.4 | -67 | -90.8 | 0 | 0 | 0 | 117.4 | ||||
| 400 | Q | 29 | Very low | 29.3 | Very low | 191 Ų | 191 | 142.5 Ų | 142.5 | 89% | 0.893 | 84% | 0.838 | S | S | * | * | trans | -97.6 | 112.8 | 140.2 | -88.8 | -176.6 | -28.4 | 0 | 0 | 108.4 | ||||
| 401 | Q | 31.9 | Very low | 29.5 | Very low | 175 Ų | 175 | 144.2 Ų | 144.2 | 82% | 0.818 | 85% | 0.846 | S | S | * | * | trans | -179.3 | 139.9 | 137.3 | -100.1 | 167.3 | 6.7 | 0 | 0 | 110 | ||||
| 402 | H | 31.1 | Very low | 29.7 | Very low | 173 Ų | 173 | 143.4 Ų | 143.4 | 80% | 0.801 | 84% | 0.842 | S | S | * | * | trans | 88.5 | 71 | 179.6 | -57.1 | -74 | 0 | 0 | 0 | 118.1 | ||||
| 403 | C | 26.3 | Very low | 30 | Very low | 135 Ų | 135 | 141 Ų | 141 | 91% | 0.912 | 84% | 0.838 | S | S | * | * | trans | -117.4 | 109.4 | 142.8 | -80.3 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 404 | V | 31.1 | Very low | 30.3 | Very low | 136 Ų | 136 | 147.3 Ų | 147.3 | 82% | 0.824 | 86% | 0.858 | S | S | * | * | trans | -89.5 | 124.5 | 163.7 | 176.2 | 0 | 0 | 0 | 0 | 107.1 | ||||
| 405 | A | 28.7 | Very low | 30.4 | Very low | 88 Ų | 88 | 148.9 Ų | 148.9 | 73% | 0.727 | 86% | 0.86 | S | S | * | * | trans | -71.4 | 128.9 | 179.6 | 0 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 406 | S | 29.8 | Very low | 30.5 | Very low | 128 Ų | 128 | 146.6 Ų | 146.6 | 90% | 0.895 | 86% | 0.856 | S | S | * | * | trans | -94.1 | 115.1 | 161.2 | -88.1 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 407 | L | 30.8 | Very low | 30.7 | Very low | 163 Ų | 163 | 148.3 Ų | 148.3 | 85% | 0.853 | 86% | 0.858 | S | S | * | * | trans | -64.7 | 135.5 | 177.1 | -79 | 151.9 | 0 | 0 | 0 | 111.6 | ||||
| 408 | A | 29.6 | Very low | 30.7 | Very low | 101 Ų | 101 | 149.6 Ų | 149.6 | 84% | 0.835 | 86% | 0.86 | S | S | * | * | trans | -67.5 | 134.1 | 164.2 | 0 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 409 | T | 29.7 | Very low | 30.6 | Very low | 143 Ų | 143 | 152.4 Ų | 152.4 | 88% | 0.877 | 87% | 0.868 | S | S | * | * | trans | -119.9 | 113.7 | 164.8 | -0.5 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 410 | K | 32.7 | Very low | 30.7 | Very low | 205 Ų | 205 | 148.8 Ų | 148.8 | 89% | 0.891 | 87% | 0.866 | S | S | * | * | trans | -85.1 | 135.7 | 157.9 | -85.3 | -178.3 | 172.8 | 179.1 | 0 | 108.6 | ||||
| 411 | A | 29.3 | Very low | 30.8 | Very low | 103 Ų | 103 | 145.8 Ų | 145.8 | 85% | 0.851 | 86% | 0.864 | S | S | * | * | trans | 173.3 | 151.2 | 146.9 | 0 | 0 | 0 | 0 | 0 | 107 | ||||
| 412 | S | 29.8 | Very low | 30.7 | Very low | 111 Ų | 111 | 143.5 Ų | 143.5 | 78% | 0.776 | 87% | 0.867 | S | S | * | * | cis | -170.8 | 155 | -19.9 | 178.7 | 0 | 0 | 0 | 0 | 103.7 | ||||
| 413 | S | 33.2 | Very low | 30.7 | Very low | 110 Ų | 110 | 141.1 Ų | 141.1 | 77% | 0.769 | 87% | 0.873 | S | S | * | * | trans | -49.3 | 136.9 | 172.8 | -40.1 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 414 | Q | 37.3 | Very low | 31.1 | Very low | 270 Ų | 270 | 141.6 Ų | 141.6 | 100% | 1.262 | 87% | 0.869 | S | S | * | * | -166.3 | 0 | 122.6 | -105.6 | -179.6 | 11.8 | 0 | 0 | 109.8 |
Retrieved 414 of 414 residues in 565.8 ms
(Link to these results)