| 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 | 30.2 | Very low | 48.7 | Very low | 240 Ų | 240 | 169 Ų | 169 | 100% | 1.182 | 79% | 0.791 | S | S | * | * | 0 | 129.9 | 0 | -65.4 | 152.5 | 87.5 | 0 | 0 | 108.1 | |||||
| 2 | S | 39.5 | Very low | 52.1 | Low | 118 Ų | 118 | 158.4 Ų | 158.4 | 83% | 0.825 | 74% | 0.739 | S | S | * | * | trans | 172.7 | 93.3 | 163.3 | -87.6 | 0 | 0 | 0 | 0 | 108.5 | R4 | S2-R4 VanDerWaalsContact C-N 3.33Å; S2-R4 PolarHBondContact O-N 2.74Å | ||
| 3 | H | 36.7 | Very low | 55.1 | Low | 191 Ų | 191 | 146.2 Ų | 146.2 | 88% | 0.884 | 68% | 0.682 | S | S | * | * | trans | -72.9 | 92.7 | 165.9 | -75.4 | -59 | 0 | 0 | 0 | 108.3 | N5 | H3-N5 PolarHBondContact O-N 3.23Š| ||
| 4 | R | 42 | Very low | 57.5 | Low | 231 Ų | 231 | 136.8 Ų | 136.8 | 87% | 0.872 | 64% | 0.644 | S | S | * | * | trans | -63.8 | 102 | 164.5 | -90.5 | -174.2 | 169.8 | 172.1 | -3.1 | 107.8 | S2 Y6 | S2-R4 VanDerWaalsContact C-N 3.33Å; S2-R4 PolarHBondContact O-N 2.74Å; R4-Y6 PolarHBondContact O-N 2.76Å; R4-Y6 VanDerWaalsContact O-N 3.08Å | ||
| 5 | N | 43.6 | Very low | 59.7 | Low | 144 Ų | 144 | 128.1 Ų | 128.1 | 77% | 0.77 | 60% | 0.604 | S | S | * | * | trans | -53.4 | 116 | 167.6 | -78.8 | -36.6 | 0 | 0 | 0 | 108.5 | H3 V7 | H3-N5 PolarHBondContact O-N 3.23Å; N5-V7 PolarHBondContact O-N 2.99Å | ||
| 6 | Y | 40.5 | Very low | 61.8 | Low | 220 Ų | 220 | 121.4 Ų | 121.4 | 86% | 0.863 | 57% | 0.571 | S | S | * | * | trans | -77.6 | 73.5 | 178 | -130.5 | -79.7 | 0 | 0 | 0 | 108.5 | R4 R8 | R4-Y6 PolarHBondContact O-N 2.76Å; R4-Y6 VanDerWaalsContact O-N 3.08Å; Y6-R8 PolarHBondContact O-N 3.01Å | ||
| 7 | V | 41 | Very low | 63.7 | Low | 120 Ų | 120 | 118.6 Ų | 118.6 | 73% | 0.727 | 55% | 0.554 | S | S | * | * | trans | -57.1 | 110.2 | 171.7 | -179.8 | 0 | 0 | 0 | 0 | 106.7 | N5 E9 | N5-V7 PolarHBondContact O-N 2.99Å; V7-E9 PolarHBondContact O-N 3.07Å | ||
| 8 | R | 51.2 | Low | 65.3 | Low | 220 Ų | 220 | 112.9 Ų | 112.9 | 83% | 0.83 | 53% | 0.528 | S | S | * | . | trans | -71.9 | 117.2 | 171.1 | -60.1 | -177.2 | -159.9 | 167.2 | 8.4 | 106.3 | Y6 E10 | Y6-R8 PolarHBondContact O-N 3.01Å; R8-E10 PolarHBondContact O-N 2.84Å | ||
| 9 | E | 57.7 | Low | 66.8 | Low | 178 Ų | 178 | 110.8 Ų | 110.8 | 83% | 0.832 | 52% | 0.518 | S | S | * | . | trans | -57.3 | 108.7 | 169.2 | -64.6 | -179.6 | 144.4 | 0 | 0 | 108.4 | V7 Q11 | V7-E9 PolarHBondContact O-N 3.07Å; E9-Q11 PolarHBondContact O-N 3.09Å | ||
| 10 | E | 68.8 | Low | 68 | Low | 107 Ų | 107 | 112.1 Ų | 112.1 | 50% | 0.5 | 52% | 0.522 | S | S | . | . | trans | -69.1 | 117.8 | 175.1 | -70.9 | -165.8 | 146.4 | 0 | 0 | 108 | R8 Y12 R17 | R8-E10 PolarHBondContact O-N 2.84Å; E10-Y12 HydrophobicContact CB-CD2 4.35Å; E10-Y12 HydrophobicContact CB-CE2 3.54Å; E10-Y12 WeakPolarHBondContact O-CD2 3.32Å; E10-Y12 WeakPolarHBondContact O-CE2 3.06Å; E10-Y12 PolarHBondContact OE2-OH 3.34Å; E10-R17 HydrophobicContact CB-CG 4.4Å; E10-R17 VanDerWaalsContact OE1-CD 3.31Å; E10-R17 WeakPolarHBondContact OE1-CD 3.48Å; E10-R17 IonicContact OE1-NE 3.78Å; E10-R17 IonicContact OE1-NH1 3.99Å; E10-R17 VanDerWaalsContact OE2-CD 3.32Å; E10-R17 WeakPolarHBondContact OE2-CD 2.74Å | ||
| 11 | Q | 85.1 | Confident | 69.1 | Low | 90 Ų | 90 | 110.1 Ų | 110.1 | 42% | 0.421 | 52% | 0.518 | S | S | . | . | trans | -83.8 | 126.8 | -178.6 | -165.9 | -176.9 | 22.9 | 0 | 0 | 110 | E9 L18 | E9-Q11 PolarHBondContact O-N 3.09Å; Q11-L18 HydrophobicContact CB-CB 4.38Å; Q11-L18 HydrophobicContact CB-CD1 4.25Å; Q11-L18 HydrophobicContact CG-CD1 3.92Å; Q11-L18 VanDerWaalsContact O-CB 3.27Å; Q11-L18 WeakPolarHBondContact O-CB 3.27Å; Q11-L18 WeakPolarHBondContact O-CG 3.06Å; Q11-L18 PolarHBondContact O-N 2.77Å | ||
| 12 | Y | 89.4 | Confident | 71.9 | Confident | 42 Ų | 42 | 100.7 Ų | 100.7 | 17% | 0.165 | 47% | 0.472 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.1 | 153.4 | 179.8 | -71.3 | -95.6 | 0 | 0 | 0 | 112.2 | E10 Y16 R17 C36 | E10-Y12 HydrophobicContact CB-CD2 4.35Å; E10-Y12 HydrophobicContact CB-CE2 3.54Å; E10-Y12 WeakPolarHBondContact O-CD2 3.32Å; E10-Y12 WeakPolarHBondContact O-CE2 3.06Å; E10-Y12 PolarHBondContact OE2-OH 3.34Å; Y12-Y16 WeakPolarHBondContact CA-O 3.42Å; Y12-R17 HydrophobicContact CD1-CB 4.1Å; Y12-R17 HydrophobicContact CE1-CB 3.68Å; Y12-R17 HydrophobicContact CE1-CG 4.09Å; Y12-C36 VanDerWaalsContact CE1-SG 3.55Å |
| 13 | V | 91.1 | Very high | 73.7 | Confident | 0 Ų | 0 | 95.6 Ų | 95.6 | 0% | 0 | 44% | 0.438 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.5 | 103.1 | 167.5 | 175.9 | 0 | 0 | 0 | 0 | 105.9 | Y16 L18 Y82 Y89 I91 P361 | V13-Y16 PolarHBondContact N-O 2.76Å; V13-Y16 WeakPolarHBondContact O-CB 3.4Å; V13-Y16 WeakPolarHBondContact O-CD2 3.38Å; V13-Y16 PolarHBondContact O-N 3.36Å; V13-L18 HydrophobicContact CG2-CD1 3.72Å; V13-L18 HydrophobicContact CG2-CD2 4.05Å; V13-L18 HydrophobicContact CG2-CG 4.04Å; V13-Y82 HydrophobicContact CG1-CD1 4.14Å; V13-Y82 HydrophobicContact CG1-CD2 4.1Å; V13-Y82 HydrophobicContact CG1-CG 3.76Å; V13-Y89 HydrophobicContact CG1-CD1 4.22Å; V13-Y89 HydrophobicContact CG1-CG 4.08Å; V13-Y89 HydrophobicContact CG2-CD1 3.5Å; V13-Y89 VanDerWaalsContact CG2-CD1 3.5Å; V13-Y89 HydrophobicContact CG2-CE1 3.71Å; V13-Y89 HydrophobicContact CG2-CG 4.17Å; V13-I91 HydrophobicContact CG1-CD1 4.13Å; V13-P361 HydrophobicContact CG1-CB 4.12Å; V13-P361 HydrophobicContact CG2-CG 4.32Å |
| 14 | G | 88.3 | Confident | 75.5 | Confident | 14 Ų | 14 | 93.8 Ų | 93.8 | 14% | 0.144 | 43% | 0.427 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 48.4 | -127.7 | -167.3 | 0 | 0 | 0 | 0 | 0 | 111.5 | Y16 I351 | G14-Y16 PolarHBondContact O-N 3.28Å; G14-I351 VanDerWaalsContact C-CG2 3.46Å |
| 15 | P | 90 | Very high | 76.6 | Confident | 7 Ų | 7 | 84.2 Ų | 84.2 | 5% | 0.045 | 40% | 0.4 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -80.3 | 6.8 | 179.9 | 36.4 | -38.3 | 0 | 0 | 0 | 114.3 | H35 C36 Y82 D347 I351 | P15-H35 WeakPolarHBondContact CB-NE2 3.08Å; P15-H35 VanDerWaalsContact CG-CD2 3.48Å; P15-H35 WeakPolarHBondContact CG-CD2 3.39Å; P15-H35 WeakPolarHBondContact CG-NE2 3.4Å; P15-H35 CarbonylContact O-C 3.6Å; P15-H35 WeakPolarHBondContact O-CA 3.21Å; P15-C36 PolarHBondContact O-N 2.92Å; P15-C36 PolarHBondContact O-SG 2.76Å; P15-Y82 WeakPolarHBondContact CD-OH 3.24Å; P15-D347 WeakPolarHBondContact CD-OD2 3.4Å; P15-I351 HydrophobicContact CB-CD1 4.04Å; P15-I351 HydrophobicContact CB-CG2 3.96Å |
| 16 | Y | 93.7 | Very high | 77.4 | Confident | 21 Ų | 21 | 85.7 Ų | 85.7 | 8% | 0.082 | 40% | 0.403 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105 | 114.7 | -177.4 | -55 | -80 | 0 | 0 | 0 | 111.7 | Y12 V13 G14 H35 V42 Y82 I91 | Y12-Y16 WeakPolarHBondContact CA-O 3.42Å; V13-Y16 PolarHBondContact N-O 2.76Å; V13-Y16 WeakPolarHBondContact O-CB 3.4Å; V13-Y16 WeakPolarHBondContact O-CD2 3.38Å; V13-Y16 PolarHBondContact O-N 3.36Å; G14-Y16 PolarHBondContact O-N 3.28Å; Y16-H35 HydrophobicContact CD1-CB 3.84Å; Y16-H35 AromaticContact CD1-CD2 3.98Å; Y16-H35 HydrophobicContact CE1-CB 3.73Å; Y16-H35 AromaticContact CE1-CD2 3.55Å; Y16-H35 AromaticContact CZ-CD2 3.81Å; Y16-V42 HydrophobicContact CD1-CB 4.5Å; Y16-V42 HydrophobicContact CD1-CG1 4.27Å; Y16-V42 HydrophobicContact CD1-CG2 3.42Å; Y16-V42 VanDerWaalsContact CD1-CG2 3.42Å; Y16-V42 HydrophobicContact CE1-CB 4.36Å; Y16-V42 HydrophobicContact CE1-CG1 3.71Å; Y16-V42 HydrophobicContact CE1-CG2 3.72Å; Y16-V42 HydrophobicContact CG-CG2 4.07Å; Y16-Y82 HydrophobicContact CE2-CE2 4.3Å; Y16-I91 HydrophobicContact CD2-CD1 4.01Å; Y16-I91 HydrophobicContact CD2-CG1 4.35Å; Y16-I91 HydrophobicContact CD2-CG2 4.29Å; Y16-I91 HydrophobicContact CE1-CG2 4.15Å; Y16-I91 HydrophobicContact CE2-CD1 4.26Å; Y16-I91 HydrophobicContact CE2-CG1 4.09Å; Y16-I91 HydrophobicContact CE2-CG2 3.74Å |
| 17 | R | 93.5 | Very high | 78.4 | Confident | 74 Ų | 74 | 77.8 Ų | 77.8 | 28% | 0.279 | 38% | 0.378 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.4 | 126.9 | 166.4 | -174.8 | -176.7 | 60.4 | -141.1 | -2.3 | 109.3 | E10 Y12 E19 G33 V34 | E10-R17 HydrophobicContact CB-CG 4.4Å; E10-R17 VanDerWaalsContact OE1-CD 3.31Å; E10-R17 WeakPolarHBondContact OE1-CD 3.48Å; E10-R17 IonicContact OE1-NE 3.78Å; E10-R17 IonicContact OE1-NH1 3.99Å; E10-R17 VanDerWaalsContact OE2-CD 3.32Å; E10-R17 WeakPolarHBondContact OE2-CD 2.74Å; Y12-R17 HydrophobicContact CD1-CB 4.1Å; Y12-R17 HydrophobicContact CE1-CB 3.68Å; Y12-R17 HydrophobicContact CE1-CG 4.09Å; R17-E19 IonicContact CZ-OE1 3.37Å; R17-E19 IonicContact NE-OE1 2.67Å; R17-E19 IonicContact NH2-OE1 3.98Å; R17-E19 PolarHBondContact NH2-OE1 3.15Å; R17-G33 CarbonylContact O-C 3.52Å; R17-G33 WeakPolarHBondContact O-CA 3.32Å; R17-V34 PolarHBondContact N-O 3.46Å; R17-V34 PolarHBondContact O-N 3.44Å |
| 18 | L | 93.5 | Very high | 79.8 | Confident | 15 Ų | 15 | 73 Ų | 73 | 8% | 0.079 | 35% | 0.352 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.9 | 123.6 | 178.2 | -59.4 | -178.7 | 0 | 0 | 0 | 111.3 | Q11 V13 K31 V44 I46 | Q11-L18 HydrophobicContact CB-CB 4.38Å; Q11-L18 HydrophobicContact CB-CD1 4.25Å; Q11-L18 HydrophobicContact CG-CD1 3.92Å; Q11-L18 VanDerWaalsContact O-CB 3.27Å; Q11-L18 WeakPolarHBondContact O-CB 3.27Å; Q11-L18 WeakPolarHBondContact O-CG 3.06Å; Q11-L18 PolarHBondContact O-N 2.77Å; V13-L18 HydrophobicContact CG2-CD1 3.72Å; V13-L18 HydrophobicContact CG2-CD2 4.05Å; V13-L18 HydrophobicContact CG2-CG 4.04Å; L18-K31 HydrophobicContact CB-CD 3.88Å; L18-K31 HydrophobicContact CD1-CD 4.1Å; L18-K31 HydrophobicContact CG-CD 4.44Å; L18-V44 HydrophobicContact CD2-CB 3.92Å; L18-V44 HydrophobicContact CD2-CG1 4.01Å; L18-V44 HydrophobicContact CD2-CG2 3.74Å; L18-I46 HydrophobicContact CD1-CD1 4.15Å |
| 19 | E | 92.7 | Very high | 81.5 | Confident | 74 Ų | 74 | 64.9 Ų | 64.9 | 35% | 0.346 | 33% | 0.325 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.9 | -140.8 | 179.8 | -56.3 | -169.8 | 163.3 | 0 | 0 | 110.9 | R17 M32 V34 | R17-E19 IonicContact CZ-OE1 3.37Å; R17-E19 IonicContact NE-OE1 2.67Å; R17-E19 IonicContact NH2-OE1 3.98Å; R17-E19 PolarHBondContact NH2-OE1 3.15Å; E19-M32 HydrophobicContact CB-CB 4.23Å; E19-M32 HydrophobicContact CB-CG 4.24Å; E19-M32 PolarHBondContact N-O 2.84Å; E19-V34 VanDerWaalsContact CD-CG2 3.46Å; E19-V34 HydrophobicContact CG-CG2 4.21Å; E19-V34 WeakPolarHBondContact OE1-CG2 3.43Å |
| 20 | K | 92.1 | Very high | 83.1 | Confident | 135 Ų | 135 | 58 Ų | 58 | 59% | 0.587 | 30% | 0.295 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -58.7 | 147.3 | -178 | 65.9 | -165.8 | 174.3 | -164.8 | 0 | 113.1 | M32 | K20-M32 HydrophobicContact CG-CB 4.19Å; K20-M32 PolarHBondContact O-N 3.31Å |
| 21 | T | 91.3 | Very high | 84.3 | Confident | 71 Ų | 71 | 54.4 Ų | 54.4 | 44% | 0.436 | 28% | 0.278 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -62.9 | 133.2 | 165.2 | -60.8 | 0 | 0 | 0 | 0 | 110.1 | G23 K24 L29 | T21-G23 WeakPolarHBondContact CG2-O 3.32Å; T21-K24 HydrophobicContact CG2-CG 4.26Å; T21-L29 HydrophobicContact CG2-CD1 3.55Å |
| 22 | L | 87.5 | Confident | 84.7 | Confident | 43 Ų | 43 | 50.5 Ų | 50.5 | 23% | 0.225 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.4 | -39 | 171.7 | -63.9 | 173.7 | 0 | 0 | 0 | 110.9 | V30 M32 A43 | L22-V30 HydrophobicContact CB-CG1 4.22Å; L22-V30 HydrophobicContact CD1-CG1 4.37Å; L22-V30 PolarHBondContact N-O 3.41Å; L22-M32 HydrophobicContact CD1-CB 4.2Å; L22-M32 HydrophobicContact CD2-CB 4.34Å; L22-M32 HydrophobicContact CD2-CE 4.46Å; L22-M32 HydrophobicContact CG-CB 4.21Å; L22-A43 HydrophobicContact CD1-CB 4.22Å |
| 23 | G | 78.8 | Confident | 85 | Confident | 10 Ų | 10 | 48.5 Ų | 48.5 | 10% | 0.103 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -163.4 | 169.8 | -179.7 | 0 | 0 | 0 | 0 | 0 | 113.7 | T21 V30 | T21-G23 WeakPolarHBondContact CG2-O 3.32Å; G23-V30 PolarHBondContact N-O 3.49Å; G23-V30 PolarHBondContact O-N 3.34Å |
| 24 | K | 74.7 | Confident | 85.1 | Confident | 153 Ų | 153 | 49.4 Ų | 49.4 | 67% | 0.665 | 26% | 0.257 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -139.2 | 120.1 | 174.7 | -72.9 | -178.7 | 177.9 | -176.6 | 0 | 108.1 | T21 L29 | T21-K24 HydrophobicContact CG2-CG 4.26Å; K24-L29 HydrophobicContact CD-CD1 4.29Å; K24-L29 HydrophobicContact CG-CD1 3.6Å |
| 25 | G | 63.9 | Low | 85.3 | Confident | 30 Ų | 30 | 50.4 Ų | 50.4 | 31% | 0.309 | 26% | 0.258 | S | S | . | . | trans | -120 | -177.6 | 178.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | T27 G28 | G25-T27 VanDerWaalsContact C-N 3.29Å; G25-T27 PolarHBondContact O-N 2.84Å; G25-G28 PolarHBondContact N-O 2.82Å; G25-G28 PolarHBondContact O-N 3.43Å | ||
| 26 | Q | 61.5 | Low | 85.3 | Confident | 175 Ų | 175 | 52.6 Ų | 52.6 | 82% | 0.818 | 27% | 0.273 | S | S | * | . | S | Bend | trans | -64.1 | -34 | 177.9 | -175.5 | 179.9 | 0.7 | 0 | 0 | 112.5 | ||
| 27 | T | 60.1 | Low | 85 | Confident | 55 Ų | 55 | 57 Ų | 57 | 34% | 0.337 | 30% | 0.302 | S | S | . | . | S | Bend | trans | -85.3 | -18.1 | -178.1 | 49.5 | 0 | 0 | 0 | 0 | 113.9 | G25 | G25-T27 VanDerWaalsContact C-N 3.29Å; G25-T27 PolarHBondContact O-N 2.84Å |
| 28 | G | 71.2 | Confident | 84.9 | Confident | 19 Ų | 19 | 57.9 Ų | 57.9 | 20% | 0.196 | 32% | 0.316 | C | S | . | . | trans | 167.6 | -171.8 | -176 | 0 | 0 | 0 | 0 | 0 | 117.4 | G25 I46 | G25-G28 PolarHBondContact N-O 2.82Å; G25-G28 PolarHBondContact O-N 3.43Å; G28-I46 CarbonylContact C-O 3.59Å; G28-I46 WeakPolarHBondContact CA-O 3.42Å | ||
| 29 | L | 87 | Confident | 84.8 | Confident | 49 Ų | 49 | 59.3 Ų | 59.3 | 26% | 0.257 | 33% | 0.334 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.4 | 121.9 | 179.4 | 171.2 | 68.5 | 0 | 0 | 0 | 109.5 | T21 K24 K31 I46 | T21-L29 HydrophobicContact CG2-CD1 3.55Å; K24-L29 HydrophobicContact CD-CD1 4.29Å; K24-L29 HydrophobicContact CG-CD1 3.6Å; L29-K31 HydrophobicContact CD2-CG 4.32Å; L29-K31 HydrophobicContact CG-CG 4.29Å; L29-I46 HydrophobicContact CB-CB 4.42Å; L29-I46 HydrophobicContact CD2-CD1 4.42Å; L29-I46 PolarHBondContact N-O 3.34Å; L29-I46 WeakPolarHBondContact O-CB 3.25Å; L29-I46 PolarHBondContact O-N 2.78Å |
| 30 | V | 90.6 | Very high | 84.8 | Confident | 34 Ų | 34 | 60.4 Ų | 60.4 | 21% | 0.206 | 34% | 0.338 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.2 | 118.2 | 174.4 | -171.7 | 0 | 0 | 0 | 0 | 109.5 | L22 G23 A43 V44 K45 | L22-V30 HydrophobicContact CB-CG1 4.22Å; L22-V30 HydrophobicContact CD1-CG1 4.37Å; L22-V30 PolarHBondContact N-O 3.41Å; G23-V30 PolarHBondContact N-O 3.49Å; G23-V30 PolarHBondContact O-N 3.34Å; V30-A43 HydrophobicContact CG1-CB 4.11Å; V30-V44 WeakPolarHBondContact CA-O 3.27Å; V30-K45 HydrophobicContact CG2-CB 4.31Å; V30-K45 HydrophobicContact CG2-CG 4.38Å |
| 31 | K | 93.9 | Very high | 84.9 | Confident | 32 Ų | 32 | 59.8 Ų | 59.8 | 14% | 0.139 | 34% | 0.335 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.2 | 157.7 | 171.2 | -69.7 | -170.2 | -176.1 | -177.1 | 0 | 111.3 | L18 L29 V44 I46 | L18-K31 HydrophobicContact CB-CD 3.88Å; L18-K31 HydrophobicContact CD1-CD 4.1Å; L18-K31 HydrophobicContact CG-CD 4.44Å; L29-K31 HydrophobicContact CD2-CG 4.32Å; L29-K31 HydrophobicContact CG-CG 4.29Å; K31-V44 PolarHBondContact N-O 2.95Å; K31-V44 PolarHBondContact O-N 3.34Å; K31-I46 HydrophobicContact CD-CD1 4.04Å; K31-I46 HydrophobicContact CG-CD1 4.18Å |
| 32 | M | 93.9 | Very high | 85.1 | Confident | 8 Ų | 8 | 56.4 Ų | 56.4 | 4% | 0.039 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.9 | 131.8 | 158.3 | 175.4 | 70.9 | 81.2 | 0 | 0 | 108.3 | E19 K20 L22 V34 K41 H94 | E19-M32 HydrophobicContact CB-CB 4.23Å; E19-M32 HydrophobicContact CB-CG 4.24Å; E19-M32 PolarHBondContact N-O 2.84Å; K20-M32 HydrophobicContact CG-CB 4.19Å; K20-M32 PolarHBondContact O-N 3.31Å; L22-M32 HydrophobicContact CD1-CB 4.2Å; L22-M32 HydrophobicContact CD2-CB 4.34Å; L22-M32 HydrophobicContact CD2-CE 4.46Å; L22-M32 HydrophobicContact CG-CB 4.21Å; M32-V34 HydrophobicContact CG-CG2 4.29Å; M32-K41 HydrophobicContact CE-CB 4.42Å; M32-K41 HydrophobicContact CE-CD 4.15Å; M32-K41 HydrophobicContact CE-CG 4.28Å; M32-K41 HydrophobicContact SD-CB 3.74Å; M32-K41 HydrophobicContact SD-CD 4.34Å; M32-K41 HydrophobicContact SD-CG 3.81Å; M32-H94 VanDerWaalsContact CE-CD2 3.41Å; M32-H94 WeakPolarHBondContact CE-CD2 2.89Å; M32-H94 WeakPolarHBondContact CE-NE2 3.34Å |
| 33 | G | 95.1 | Very high | 85.4 | Confident | 0 Ų | 0 | 54.9 Ų | 54.9 | 0% | 0 | 31% | 0.308 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.5 | 146.2 | 161.8 | 0 | 0 | 0 | 0 | 0 | 110.3 | R17 K41 V42 | R17-G33 CarbonylContact O-C 3.52Å; R17-G33 WeakPolarHBondContact O-CA 3.32Å; G33-K41 WeakPolarHBondContact O-CA 3.48Å; G33-V42 PolarHBondContact N-O 3.06Å; G33-V42 WeakPolarHBondContact O-CG2 3.5Å; G33-V42 PolarHBondContact O-N 3.37Å |
| 34 | V | 95 | Very high | 86.2 | Confident | 18 Ų | 18 | 54.4 Ų | 54.4 | 11% | 0.109 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.9 | 121.2 | 171.2 | 178.4 | 0 | 0 | 0 | 0 | 108.9 | R17 E19 M32 C36 K41 | R17-V34 PolarHBondContact N-O 3.46Å; R17-V34 PolarHBondContact O-N 3.44Å; E19-V34 VanDerWaalsContact CD-CG2 3.46Å; E19-V34 HydrophobicContact CG-CG2 4.21Å; E19-V34 WeakPolarHBondContact OE1-CG2 3.43Å; M32-V34 HydrophobicContact CG-CG2 4.29Å; V34-C36 PolarHBondContact O-N 2.77Å; V34-K41 HydrophobicContact CG2-CG 4.19Å |
| 35 | H | 92.3 | Very high | 87 | Confident | 35 Ų | 35 | 47.5 Ų | 47.5 | 16% | 0.162 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.3 | 118.1 | 179.2 | -171 | -105.8 | 0 | 0 | 0 | 110.5 | P15 Y16 V37 T38 G39 K40 | P15-H35 WeakPolarHBondContact CB-NE2 3.08Å; P15-H35 VanDerWaalsContact CG-CD2 3.48Å; P15-H35 WeakPolarHBondContact CG-CD2 3.39Å; P15-H35 WeakPolarHBondContact CG-NE2 3.4Å; P15-H35 CarbonylContact O-C 3.6Å; P15-H35 WeakPolarHBondContact O-CA 3.21Å; Y16-H35 HydrophobicContact CD1-CB 3.84Å; Y16-H35 AromaticContact CD1-CD2 3.98Å; Y16-H35 HydrophobicContact CE1-CB 3.73Å; Y16-H35 AromaticContact CE1-CD2 3.55Å; Y16-H35 AromaticContact CZ-CD2 3.81Å; H35-V37 VanDerWaalsContact C-N 3.26Å; H35-V37 PolarHBondContact O-N 3.08Å; H35-T38 PolarHBondContact ND1-N 2.86Å; H35-T38 PolarHBondContact ND1-OG1 3.46Å; H35-T38 PolarHBondContact O-N 3.04Å; H35-G39 WeakPolarHBondContact O-CA 3.22Å; H35-G39 PolarHBondContact O-N 3.39Å; H35-K40 HydrophobicContact CB-CB 4.27Å; H35-K40 PolarHBondContact N-O 2.86Å |
| 36 | C | 89 | Confident | 88.3 | Confident | 53 Ų | 53 | 46.9 Ų | 46.9 | 36% | 0.358 | 26% | 0.262 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -67 | -23.9 | -166.4 | -61 | 0 | 0 | 0 | 0 | 114.5 | Y12 P15 V34 | Y12-C36 VanDerWaalsContact CE1-SG 3.55Å; P15-C36 PolarHBondContact O-N 2.92Å; P15-C36 PolarHBondContact O-SG 2.76Å; V34-C36 PolarHBondContact O-N 2.77Å |
| 37 | V | 88 | Confident | 89.6 | Confident | 113 Ų | 113 | 38.5 Ų | 38.5 | 69% | 0.685 | 22% | 0.223 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -93.1 | -28.8 | -178.9 | -174.1 | 0 | 0 | 0 | 0 | 112.6 | H35 | H35-V37 VanDerWaalsContact C-N 3.26Å; H35-V37 PolarHBondContact O-N 3.08Å |
| 38 | T | 91.3 | Very high | 90.8 | Very high | 93 Ų | 93 | 37.3 Ų | 37.3 | 57% | 0.571 | 22% | 0.215 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -119.3 | -6.9 | -172.3 | 65.7 | 0 | 0 | 0 | 0 | 114.5 | H35 K40 | H35-T38 PolarHBondContact ND1-N 2.86Å; H35-T38 PolarHBondContact ND1-OG1 3.46Å; H35-T38 PolarHBondContact O-N 3.04Å; T38-K40 PolarHBondContact O-N 2.63Å; T38-K40 VanDerWaalsContact O-N 3.09Å; T38-K40 PolarHBondContact OG1-N 3.21Å |
| 39 | G | 90.6 | Very high | 91.4 | Very high | 46 Ų | 46 | 42 Ų | 42 | 47% | 0.474 | 23% | 0.227 | S | C | . | . | trans | 67 | 1.7 | -174 | 0 | 0 | 0 | 0 | 0 | 114.9 | H35 K41 | H35-G39 WeakPolarHBondContact O-CA 3.22Å; H35-G39 PolarHBondContact O-N 3.39Å; G39-K41 PolarHBondContact O-N 3.5Å | ||
| 40 | K | 93.1 | Very high | 91.3 | Very high | 97 Ų | 97 | 44.9 Ų | 44.9 | 42% | 0.422 | 24% | 0.239 | S | C | . | . | trans | -62 | 129 | -179.1 | -173.3 | 177.6 | 178.7 | -176 | 0 | 110.2 | H35 T38 Y79 | H35-K40 HydrophobicContact CB-CB 4.27Å; H35-K40 PolarHBondContact N-O 2.86Å; T38-K40 PolarHBondContact O-N 2.63Å; T38-K40 VanDerWaalsContact O-N 3.09Å; T38-K40 PolarHBondContact OG1-N 3.21Å; K40-Y79 WeakPolarHBondContact CE-OH 3.36Å; K40-Y79 PolarHBondContact NZ-OH 2.86Å | ||
| 41 | K | 95 | Very high | 90.7 | Very high | 121 Ų | 121 | 51.4 Ų | 51.4 | 53% | 0.526 | 26% | 0.264 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.4 | 138.5 | 175.1 | -72.9 | 163.7 | -174.9 | 159.2 | 0 | 110.2 | M32 G33 V34 G39 H94 | M32-K41 HydrophobicContact CE-CB 4.42Å; M32-K41 HydrophobicContact CE-CD 4.15Å; M32-K41 HydrophobicContact CE-CG 4.28Å; M32-K41 HydrophobicContact SD-CB 3.74Å; M32-K41 HydrophobicContact SD-CD 4.34Å; M32-K41 HydrophobicContact SD-CG 3.81Å; G33-K41 WeakPolarHBondContact O-CA 3.48Å; V34-K41 HydrophobicContact CG2-CG 4.19Å; G39-K41 PolarHBondContact O-N 3.5Å; K41-H94 HydrophobicContact CB-CB 4.22Å |
| 42 | V | 95 | Very high | 89.7 | Confident | 0 Ų | 0 | 52 Ų | 52 | 0% | 0 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136 | 158.1 | 177.7 | -64 | 0 | 0 | 0 | 0 | 109.9 | Y16 G33 V44 Y79 I91 L92 | Y16-V42 HydrophobicContact CD1-CB 4.5Å; Y16-V42 HydrophobicContact CD1-CG1 4.27Å; Y16-V42 HydrophobicContact CD1-CG2 3.42Å; Y16-V42 VanDerWaalsContact CD1-CG2 3.42Å; Y16-V42 HydrophobicContact CE1-CB 4.36Å; Y16-V42 HydrophobicContact CE1-CG1 3.71Å; Y16-V42 HydrophobicContact CE1-CG2 3.72Å; Y16-V42 HydrophobicContact CG-CG2 4.07Å; G33-V42 PolarHBondContact N-O 3.06Å; G33-V42 WeakPolarHBondContact O-CG2 3.5Å; G33-V42 PolarHBondContact O-N 3.37Å; V42-V44 HydrophobicContact CG2-CG2 4Å; V42-Y79 HydrophobicContact CG1-CD2 3.96Å; V42-Y79 HydrophobicContact CG1-CE2 4.04Å; V42-I91 HydrophobicContact CB-CG2 3.98Å; V42-I91 HydrophobicContact CG1-CG2 4.01Å; V42-I91 HydrophobicContact CG2-CG2 4.02Å; V42-L92 WeakPolarHBondContact CA-O 3.46Å; V42-L92 WeakPolarHBondContact CB-O 3.41Å |
| 43 | A | 94.6 | Very high | 89 | Confident | 11 Ų | 11 | 54.6 Ų | 54.6 | 9% | 0.091 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.9 | 117.1 | 169.9 | 0 | 0 | 0 | 0 | 0 | 108.8 | L22 V30 L92 | L22-A43 HydrophobicContact CD1-CB 4.22Å; V30-A43 HydrophobicContact CG1-CB 4.11Å; A43-L92 HydrophobicContact CB-CB 4.25Å; A43-L92 PolarHBondContact N-O 2.91Å; A43-L92 WeakPolarHBondContact O-CA 2.98Å; A43-L92 WeakPolarHBondContact O-CB 3.44Å; A43-L92 PolarHBondContact O-N 3.45Å |
| 44 | V | 94.5 | Very high | 88.4 | Confident | 0 Ų | 0 | 60.2 Ų | 60.2 | 0% | 0 | 32% | 0.318 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.6 | 105.8 | -179.5 | -175.4 | 0 | 0 | 0 | 0 | 108.8 | L18 V30 K31 V42 I46 Y89 L90 I91 | L18-V44 HydrophobicContact CD2-CB 3.92Å; L18-V44 HydrophobicContact CD2-CG1 4.01Å; L18-V44 HydrophobicContact CD2-CG2 3.74Å; V30-V44 WeakPolarHBondContact CA-O 3.27Å; K31-V44 PolarHBondContact N-O 2.95Å; K31-V44 PolarHBondContact O-N 3.34Å; V42-V44 HydrophobicContact CG2-CG2 4Å; V44-I46 HydrophobicContact CG1-CG1 3.95Å; V44-I46 PolarHBondContact O-N 2.97Å; V44-Y89 HydrophobicContact CG1-CD1 4.29Å; V44-L90 WeakPolarHBondContact CA-O 3.21Å; V44-I91 HydrophobicContact CG1-CD1 4.05Å; V44-I91 HydrophobicContact CG2-CD1 3.91Å |
| 45 | K | 91.4 | Very high | 87.5 | Confident | 9 Ų | 9 | 62.8 Ų | 62.8 | 4% | 0.039 | 34% | 0.336 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.9 | 102 | 177 | 177.6 | 175.1 | 174.3 | -178.2 | 0 | 108.3 | V30 V47 E63 L90 L92 D156 | V30-K45 HydrophobicContact CG2-CB 4.31Å; V30-K45 HydrophobicContact CG2-CG 4.38Å; K45-V47 HydrophobicContact CG-CG2 4.43Å; K45-E63 IonicContact NZ-OE1 3.79Å; K45-E63 PolarHBondContact NZ-OE1 3.09Å; K45-E63 IonicContact NZ-OE2 3.69Å; K45-E63 PolarHBondContact NZ-OE2 2.85Å; K45-L90 HydrophobicContact CB-CB 4.27Å; K45-L90 PolarHBondContact N-O 3.09Å; K45-L90 PolarHBondContact O-N 2.94Å; K45-L92 HydrophobicContact CB-CD1 3.88Å; K45-L92 HydrophobicContact CD-CD1 4.06Å; K45-D156 IonicContact NZ-OD1 2.72Å; K45-D156 PolarHBondContact NZ-OD1 3.38Å |
| 46 | I | 91.1 | Very high | 86.7 | Confident | 16 Ų | 16 | 63.3 Ų | 63.3 | 8% | 0.082 | 34% | 0.342 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.6 | 111.3 | -176.1 | -48.8 | 177.6 | 0 | 0 | 0 | 109.2 | L18 G28 L29 K31 V44 H87 L88 Y89 | L18-I46 HydrophobicContact CD1-CD1 4.15Å; G28-I46 CarbonylContact C-O 3.59Å; G28-I46 WeakPolarHBondContact CA-O 3.42Å; L29-I46 HydrophobicContact CB-CB 4.42Å; L29-I46 HydrophobicContact CD2-CD1 4.42Å; L29-I46 PolarHBondContact N-O 3.34Å; L29-I46 WeakPolarHBondContact O-CB 3.25Å; L29-I46 PolarHBondContact O-N 2.78Å; K31-I46 HydrophobicContact CD-CD1 4.04Å; K31-I46 HydrophobicContact CG-CD1 4.18Å; V44-I46 HydrophobicContact CG1-CG1 3.95Å; V44-I46 PolarHBondContact O-N 2.97Å; I46-H87 HydrophobicContact CG2-CB 4.36Å; I46-L88 WeakPolarHBondContact CA-O 3.34Å; I46-Y89 HydrophobicContact CB-CD1 4.38Å; I46-Y89 HydrophobicContact CD1-CD1 4.29Å; I46-Y89 HydrophobicContact CD1-CE1 4.29Å; I46-Y89 HydrophobicContact CG1-CD1 3.87Å; I46-Y89 HydrophobicContact CG1-CE1 4.26Å; I46-Y89 HydrophobicContact CG2-CD1 3.95Å; I46-Y89 HydrophobicContact CG2-CE1 3.81Å |
| 47 | V | 88.8 | Confident | 86.4 | Confident | 0 Ų | 0 | 62 Ų | 62 | 0% | 0 | 33% | 0.331 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.7 | 132 | 179.8 | 179.5 | 0 | 0 | 0 | 0 | 108.3 | K45 L52 V60 H87 L88 L90 | K45-V47 HydrophobicContact CG-CG2 4.43Å; V47-L52 HydrophobicContact CG1-CD1 3.56Å; V47-V60 HydrophobicContact CG1-CG2 4.34Å; V47-H87 CarbonylContact O-C 3.58Å; V47-H87 WeakPolarHBondContact O-CA 3.26Å; V47-H87 WeakPolarHBondContact O-CB 3.26Å; V47-L88 HydrophobicContact CB-CB 4.32Å; V47-L88 PolarHBondContact N-O 3.44Å; V47-L88 PolarHBondContact O-N 3.15Å; V47-L90 HydrophobicContact CG2-CD1 4.48Å |
| 48 | N | 85.7 | Confident | 86 | Confident | 29 Ų | 29 | 61.1 Ų | 61.1 | 16% | 0.155 | 32% | 0.32 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.6 | 113.4 | 175.4 | 179.7 | -89 | 0 | 0 | 0 | 110 | E50 K51 L52 R86 H87 | N48-E50 PolarHBondContact OD1-N 2.83Å; N48-K51 VanDerWaalsContact OD1-CB 3.26Å; N48-K51 WeakPolarHBondContact OD1-CB 3.45Å; N48-K51 VanDerWaalsContact OD1-CD 3.32Å; N48-K51 WeakPolarHBondContact OD1-CD 3.43Å; N48-K51 WeakPolarHBondContact OD1-CG 3.34Å; N48-K51 PolarHBondContact OD1-N 3.08Å; N48-K51 VanDerWaalsContact OD1-N 3.08Å; N48-L52 WeakPolarHBondContact O-CG 3.28Å; N48-R86 CarbonylContact C-O 3.55Å; N48-R86 PolarHBondContact ND2-O 3.09Å; N48-H87 PolarHBondContact ND2-NE2 2.82Å |
| 49 | R | 84 | Confident | 85.4 | Confident | 119 Ų | 119 | 60.9 Ų | 60.9 | 45% | 0.449 | 31% | 0.311 | S | S | . | . | G | 310 helix | trans | -69.1 | -40.9 | -174.9 | -174.1 | 174.3 | 177.4 | -92.3 | -2.1 | 112.1 | K51 L52 L57 R86 | R49-K51 PolarHBondContact O-N 3.36Å; R49-K51 VanDerWaalsContact O-N 3.15Å; R49-L52 PolarHBondContact O-N 3.03Å; R49-L57 HydrophobicContact CG-CD1 4.2Å; R49-L57 HydrophobicContact CG-CD2 4.25Å; R49-R86 PolarHBondContact N-O 3.37Å |
| 50 | E | 84.4 | Confident | 85 | Confident | 108 Ų | 108 | 58.9 Ų | 58.9 | 51% | 0.505 | 29% | 0.29 | S | S | . | . | G | 310 helix | trans | -62.7 | -18.4 | -178.6 | -64.5 | 165.3 | 135.1 | 0 | 0 | 114.3 | N48 R86 | N48-E50 PolarHBondContact OD1-N 2.83Å; E50-R86 VanDerWaalsContact CD-CG 3.5Å; E50-R86 WeakPolarHBondContact OE1-CD 3.43Å; E50-R86 WeakPolarHBondContact OE1-CG 3.43Å; E50-R86 IonicContact OE1-CZ 3.69Å; E50-R86 IonicContact OE1-NE 3.56Å; E50-R86 PolarHBondContact OE1-NE 2.93Å; E50-R86 WeakPolarHBondContact OE2-CB 3.3Å; E50-R86 VanDerWaalsContact OE2-CD 3.26Å; E50-R86 WeakPolarHBondContact OE2-CD 3.49Å; E50-R86 WeakPolarHBondContact OE2-CG 3.38Å; E50-R86 IonicContact OE2-NE 3.64Å; E50-R86 PolarHBondContact OE2-NE 2.79Å |
| 51 | K | 78 | Confident | 84.7 | Confident | 172 Ų | 172 | 56 Ų | 56 | 75% | 0.748 | 28% | 0.277 | S | S | * | . | G | 310 helix | trans | -105.7 | 3.6 | -175.9 | -72.1 | 171.3 | -171.9 | 175.5 | 0 | 114.5 | N48 R49 | N48-K51 VanDerWaalsContact OD1-CB 3.26Å; N48-K51 WeakPolarHBondContact OD1-CB 3.45Å; N48-K51 VanDerWaalsContact OD1-CD 3.32Å; N48-K51 WeakPolarHBondContact OD1-CD 3.43Å; N48-K51 WeakPolarHBondContact OD1-CG 3.34Å; N48-K51 PolarHBondContact OD1-N 3.08Å; N48-K51 VanDerWaalsContact OD1-N 3.08Å; R49-K51 PolarHBondContact O-N 3.36Å; R49-K51 VanDerWaalsContact O-N 3.15Å |
| 52 | L | 73.2 | Confident | 84.1 | Confident | 45 Ų | 45 | 51.5 Ų | 51.5 | 24% | 0.236 | 26% | 0.257 | C | S | . | . | S | Bend | trans | -105.8 | 139.5 | 178.4 | -61.9 | -178.4 | 0 | 0 | 0 | 109.9 | V47 N48 R49 V56 V60 | V47-L52 HydrophobicContact CG1-CD1 3.56Å; N48-L52 WeakPolarHBondContact O-CG 3.28Å; R49-L52 PolarHBondContact O-N 3.03Å; L52-V56 HydrophobicContact CB-CB 4.32Å; L52-V56 HydrophobicContact CD1-CG1 4.22Å; L52-V56 HydrophobicContact CD2-CB 4.35Å; L52-V56 HydrophobicContact CD2-CG1 3.84Å; L52-V56 HydrophobicContact CG-CG1 4.42Å; L52-V60 HydrophobicContact CD1-CG2 4.29Å |
| 53 | S | 79.6 | Confident | 83.6 | Confident | 62 Ų | 62 | 51.9 Ų | 51.9 | 43% | 0.434 | 26% | 0.259 | S | S | . | . | trans | -68.7 | 156.6 | 163.2 | 56.7 | 0 | 0 | 0 | 0 | 110 | S55 V56 L57 | S53-S55 PolarHBondContact O-N 3.37Å; S53-S55 VanDerWaalsContact O-N 3.14Å; S53-S55 PolarHBondContact OG-OG 3.29Å; S53-V56 WeakPolarHBondContact O-CA 3.44Å; S53-V56 PolarHBondContact O-N 2.85Å; S53-L57 PolarHBondContact O-N 3.41Å | ||
| 54 | D | 81.6 | Confident | 83.2 | Confident | 118 Ų | 118 | 51.7 Ų | 51.7 | 63% | 0.631 | 26% | 0.256 | S | S | * | . | H | α-helix | trans | -56.4 | -34.9 | 179.3 | -52.7 | -74.8 | 0 | 0 | 0 | 112 | V56 L57 Q58 | D54-V56 PolarHBondContact O-N 3.45Å; D54-L57 PolarHBondContact O-N 2.74Å; D54-Q58 VanDerWaalsContact O-CB 3.25Å; D54-Q58 WeakPolarHBondContact O-CB 3.4Å; D54-Q58 WeakPolarHBondContact O-CG 3.42Å; D54-Q58 PolarHBondContact O-N 2.68Å |
| 55 | S | 76.4 | Confident | 82.8 | Confident | 71 Ų | 71 | 51.8 Ų | 51.8 | 50% | 0.497 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -63.4 | -17.8 | 173.8 | 57.4 | 0 | 0 | 0 | 0 | 115.3 | S53 K59 | S53-S55 PolarHBondContact O-N 3.37Å; S53-S55 VanDerWaalsContact O-N 3.14Å; S53-S55 PolarHBondContact OG-OG 3.29Å; S55-K59 WeakPolarHBondContact O-CG 3.36Å |
| 56 | V | 76.3 | Confident | 82.5 | Confident | 47 Ų | 47 | 51.4 Ų | 51.4 | 29% | 0.285 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -102 | -33.6 | 171.8 | -174.7 | 0 | 0 | 0 | 0 | 110.9 | L52 S53 D54 Q58 K59 V60 | L52-V56 HydrophobicContact CB-CB 4.32Å; L52-V56 HydrophobicContact CD1-CG1 4.22Å; L52-V56 HydrophobicContact CD2-CB 4.35Å; L52-V56 HydrophobicContact CD2-CG1 3.84Å; L52-V56 HydrophobicContact CG-CG1 4.42Å; S53-V56 WeakPolarHBondContact O-CA 3.44Å; S53-V56 PolarHBondContact O-N 2.85Å; D54-V56 PolarHBondContact O-N 3.45Å; V56-Q58 VanDerWaalsContact C-N 3.34Å; V56-Q58 PolarHBondContact O-N 2.95Å; V56-K59 WeakPolarHBondContact O-CB 3.4Å; V56-K59 PolarHBondContact O-N 2.86Å; V56-V60 PolarHBondContact O-N 3.22Å; V56-V60 VanDerWaalsContact O-N 3.11Å |
| 57 | L | 81.4 | Confident | 82.3 | Confident | 25 Ų | 25 | 51.2 Ų | 51.2 | 13% | 0.131 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -60.4 | -44.3 | 170.4 | -174 | 60 | 0 | 0 | 0 | 111.1 | R49 S53 D54 K59 V60 E61 L88 | R49-L57 HydrophobicContact CG-CD1 4.2Å; R49-L57 HydrophobicContact CG-CD2 4.25Å; S53-L57 PolarHBondContact O-N 3.41Å; D54-L57 PolarHBondContact O-N 2.74Å; L57-K59 PolarHBondContact O-N 3.3Å; L57-V60 CarbonylContact O-C 3.59Å; L57-V60 WeakPolarHBondContact O-CA 3.2Å; L57-V60 WeakPolarHBondContact O-CB 3.2Å; L57-V60 PolarHBondContact O-N 2.84Å; L57-E61 PolarHBondContact O-N 3.39Å; L57-L88 HydrophobicContact CD1-CD1 4.01Å |
| 58 | Q | 79.7 | Confident | 82.2 | Confident | 94 Ų | 94 | 53.1 Ų | 53.1 | 44% | 0.439 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -59 | -23.9 | 171.7 | -73.3 | 171.5 | 16 | 0 | 0 | 113.6 | D54 V56 R62 Q308 | D54-Q58 VanDerWaalsContact O-CB 3.25Å; D54-Q58 WeakPolarHBondContact O-CB 3.4Å; D54-Q58 WeakPolarHBondContact O-CG 3.42Å; D54-Q58 PolarHBondContact O-N 2.68Å; V56-Q58 VanDerWaalsContact C-N 3.34Å; V56-Q58 PolarHBondContact O-N 2.95Å; Q58-R62 VanDerWaalsContact O-CB 3.23Å; Q58-R62 WeakPolarHBondContact O-CB 3.41Å; Q58-R62 PolarHBondContact O-N 3.33Å; Q58-R62 VanDerWaalsContact O-N 3.13Å; Q58-Q308 PolarHBondContact O-NE2 3.46Å |
| 59 | K | 78.6 | Confident | 82 | Confident | 88 Ų | 88 | 52.5 Ų | 52.5 | 38% | 0.383 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -78.7 | -35.2 | 172.4 | -70.7 | 171.6 | 168.6 | -164.2 | 0 | 111.5 | S55 V56 L57 E63 M159 | S55-K59 WeakPolarHBondContact O-CG 3.36Å; V56-K59 WeakPolarHBondContact O-CB 3.4Å; V56-K59 PolarHBondContact O-N 2.86Å; L57-K59 PolarHBondContact O-N 3.3Å; K59-E63 WeakPolarHBondContact O-CB 3.38Å; K59-E63 PolarHBondContact O-N 2.9Å; K59-M159 HydrophobicContact CD-CE 3.7Å; K59-M159 HydrophobicContact CG-CE 4.45Å |
| 60 | V | 83.3 | Confident | 82 | Confident | 5 Ų | 5 | 47.3 Ų | 47.3 | 3% | 0.03 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -71 | -41.6 | 174.4 | 178.6 | 0 | 0 | 0 | 0 | 111.1 | V47 L52 V56 L57 E63 I64 L88 | V47-V60 HydrophobicContact CG1-CG2 4.34Å; L52-V60 HydrophobicContact CD1-CG2 4.29Å; V56-V60 PolarHBondContact O-N 3.22Å; V56-V60 VanDerWaalsContact O-N 3.11Å; L57-V60 CarbonylContact O-C 3.59Å; L57-V60 WeakPolarHBondContact O-CA 3.2Å; L57-V60 WeakPolarHBondContact O-CB 3.2Å; L57-V60 PolarHBondContact O-N 2.84Å; V60-E63 WeakPolarHBondContact O-CB 3.43Å; V60-E63 PolarHBondContact O-N 2.99Å; V60-I64 HydrophobicContact CG1-CD1 4.11Å; V60-I64 WeakPolarHBondContact O-CG1 3.26Å; V60-I64 PolarHBondContact O-N 3.24Å; V60-L88 HydrophobicContact CG1-CD1 3.96Å |
| 61 | E | 86 | Confident | 82.1 | Confident | 35 Ų | 35 | 48.9 Ų | 48.9 | 16% | 0.164 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -66.9 | -36.6 | 174.2 | -61.4 | -58.5 | 165.8 | 0 | 0 | 111.9 | L57 I64 A65 R364 | L57-E61 PolarHBondContact O-N 3.39Å; E61-I64 PolarHBondContact O-N 2.95Å; E61-A65 WeakPolarHBondContact O-CB 3.48Å; E61-A65 PolarHBondContact O-N 3.26Å; E61-R364 IonicContact OE1-CZ 3.61Å; E61-R364 IonicContact OE1-NH1 3.54Å; E61-R364 PolarHBondContact OE1-NH1 2.84Å; E61-R364 IonicContact OE1-NH2 3.33Å; E61-R364 PolarHBondContact OE1-NH2 2.61Å; E61-R364 IonicContact OE2-CZ 3.27Å; E61-R364 IonicContact OE2-NH1 3.16Å; E61-R364 PolarHBondContact OE2-NH1 2.98Å; E61-R364 IonicContact OE2-NH2 3.96Å |
| 62 | R | 82.3 | Confident | 82.5 | Confident | 28 Ų | 28 | 41.7 Ų | 41.7 | 11% | 0.106 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -61.7 | -42.7 | 169 | -172.6 | -158.8 | -77.3 | -133.6 | -8.2 | 111.9 | Q58 A65 I66 A160 S161 Q308 | Q58-R62 VanDerWaalsContact O-CB 3.23Å; Q58-R62 WeakPolarHBondContact O-CB 3.41Å; Q58-R62 PolarHBondContact O-N 3.33Å; Q58-R62 VanDerWaalsContact O-N 3.13Å; R62-A65 PolarHBondContact O-N 3.26Å; R62-I66 HydrophobicContact CG-CD1 3.94Å; R62-I66 HydrophobicContact CG-CG1 4.48Å; R62-I66 WeakPolarHBondContact O-CB 3.37Å; R62-I66 WeakPolarHBondContact O-CG1 3.44Å; R62-I66 PolarHBondContact O-N 3.07Å; R62-A160 WeakPolarHBondContact CD-O 3.42Å; R62-A160 PolarHBondContact NH1-O 2.94Å; R62-S161 VanDerWaalsContact NH1-CA 3.35Å; R62-S161 PolarHBondContact NH1-OG 3.48Å; R62-Q308 VanDerWaalsContact NH2-CD 3.34Å |
| 63 | E | 84.8 | Confident | 83.3 | Confident | 7 Ų | 7 | 43.3 Ų | 43.3 | 3% | 0.033 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -58.3 | -47.8 | 175.1 | -165.6 | -172.3 | 126.8 | 0 | 0 | 110.6 | K45 K59 V60 I66 M67 F157 | K45-E63 IonicContact NZ-OE1 3.79Å; K45-E63 PolarHBondContact NZ-OE1 3.09Å; K45-E63 IonicContact NZ-OE2 3.69Å; K45-E63 PolarHBondContact NZ-OE2 2.85Å; K59-E63 WeakPolarHBondContact O-CB 3.38Å; K59-E63 PolarHBondContact O-N 2.9Å; V60-E63 WeakPolarHBondContact O-CB 3.43Å; V60-E63 PolarHBondContact O-N 2.99Å; E63-I66 PolarHBondContact O-N 3.12Å; E63-M67 HydrophobicContact CG-SD 4.15Å; E63-M67 WeakPolarHBondContact O-CB 3.28Å; E63-M67 VanDerWaalsContact O-CG 3.26Å; E63-M67 WeakPolarHBondContact O-CG 3.25Å; E63-M67 PolarHBondContact O-N 2.93Å; E63-F157 HydrophobicContact CG-CB 4.41Å |
| 64 | I | 86.7 | Confident | 83.9 | Confident | 7 Ų | 7 | 41.9 Ų | 41.9 | 4% | 0.036 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -62 | -45.5 | 177.4 | -68.7 | 163.8 | 0 | 0 | 0 | 111.5 | V60 E61 M67 K68 L78 V81 L90 | V60-I64 HydrophobicContact CG1-CD1 4.11Å; V60-I64 WeakPolarHBondContact O-CG1 3.26Å; V60-I64 PolarHBondContact O-N 3.24Å; E61-I64 PolarHBondContact O-N 2.95Å; I64-M67 PolarHBondContact O-N 3.16Å; I64-K68 WeakPolarHBondContact O-CB 3.39Å; I64-K68 PolarHBondContact O-N 3.13Å; I64-L78 HydrophobicContact CG2-CD2 4.42Å; I64-V81 HydrophobicContact CD1-CG1 4.25Å; I64-V81 HydrophobicContact CD1-CG2 4.33Å; I64-V81 HydrophobicContact CG1-CG2 4.26Å; I64-V81 HydrophobicContact CG2-CG2 3.94Å; I64-L90 HydrophobicContact CD1-CD1 4.16Å; I64-L90 HydrophobicContact CD1-CD2 4.42Å; I64-L90 HydrophobicContact CD1-CG 4.31Å; I64-L90 HydrophobicContact CG1-CD1 4.47Å; I64-L90 HydrophobicContact CG1-CD2 3.86Å; I64-L90 HydrophobicContact CG1-CG 4.11Å |
| 65 | A | 85.8 | Confident | 84.4 | Confident | 3 Ų | 3 | 36.4 Ų | 36.4 | 3% | 0.025 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -65.6 | -41.2 | -179.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | E61 R62 K68 L69 T303 L307 | E61-A65 WeakPolarHBondContact O-CB 3.48Å; E61-A65 PolarHBondContact O-N 3.26Å; R62-A65 PolarHBondContact O-N 3.26Å; A65-K68 PolarHBondContact O-N 2.98Å; A65-L69 PolarHBondContact O-N 2.89Å; A65-T303 HydrophobicContact CB-CG2 3.74Å; A65-L307 HydrophobicContact CB-CD2 3.53Å; A65-L307 HydrophobicContact CB-CG 3.96Å |
| 66 | I | 85.4 | Confident | 85.1 | Confident | 1 Ų | 1 | 33.7 Ų | 33.7 | 1% | 0.005 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -64.9 | -47.7 | 174 | -72.5 | 175.7 | 0 | 0 | 0 | 110.6 | R62 E63 K68 L69 I70 I134 F157 A160 L307 | R62-I66 HydrophobicContact CG-CD1 3.94Å; R62-I66 HydrophobicContact CG-CG1 4.48Å; R62-I66 WeakPolarHBondContact O-CB 3.37Å; R62-I66 WeakPolarHBondContact O-CG1 3.44Å; R62-I66 PolarHBondContact O-N 3.07Å; E63-I66 PolarHBondContact O-N 3.12Å; I66-K68 PolarHBondContact O-N 3.44Å; I66-L69 WeakPolarHBondContact O-CB 3.29Å; I66-L69 PolarHBondContact O-N 3.25Å; I66-I70 HydrophobicContact CG2-CD1 4.21Å; I66-I70 PolarHBondContact O-N 3.15Å; I66-I134 HydrophobicContact CG2-CD1 3.9Å; I66-I134 HydrophobicContact CG2-CG1 4.36Å; I66-I134 HydrophobicContact CG2-CG2 3.98Å; I66-F157 HydrophobicContact CG2-CB 4.04Å; I66-F157 HydrophobicContact CG2-CD1 3.92Å; I66-F157 HydrophobicContact CG2-CG 4.13Å; I66-A160 HydrophobicContact CD1-CB 3.72Å; I66-L307 HydrophobicContact CG1-CD2 3.7Å |
| 67 | M | 87.2 | Confident | 85.8 | Confident | 12 Ų | 12 | 32.6 Ų | 32.6 | 6% | 0.059 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -69.6 | -14.5 | 178.7 | -66.7 | -173.6 | 80.9 | 0 | 0 | 114.1 | E63 I64 L76 L78 L92 F157 | E63-M67 HydrophobicContact CG-SD 4.15Å; E63-M67 WeakPolarHBondContact O-CB 3.28Å; E63-M67 VanDerWaalsContact O-CG 3.26Å; E63-M67 WeakPolarHBondContact O-CG 3.25Å; E63-M67 PolarHBondContact O-N 2.93Å; I64-M67 PolarHBondContact O-N 3.16Å; M67-L76 WeakPolarHBondContact CE-O 3.16Å; M67-L78 HydrophobicContact CB-CB 3.95Å; M67-L78 HydrophobicContact CB-CD2 3.9Å; M67-L78 HydrophobicContact CE-CB 4.21Å; M67-L92 HydrophobicContact CE-CD2 3.8Å; M67-L92 HydrophobicContact SD-CD2 4.39Å; M67-F157 HydrophobicContact CG-CD2 4.37Å |
| 68 | K | 86 | Confident | 86.3 | Confident | 40 Ų | 40 | 32.9 Ų | 32.9 | 17% | 0.174 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -78.9 | -27.9 | 165 | -86.6 | -166.4 | 172.9 | -164.7 | 0 | 112.6 | I64 A65 I66 L335 R338 D366 | I64-K68 WeakPolarHBondContact O-CB 3.39Å; I64-K68 PolarHBondContact O-N 3.13Å; A65-K68 PolarHBondContact O-N 2.98Å; I66-K68 PolarHBondContact O-N 3.44Å; K68-L335 HydrophobicContact CB-CD2 4.3Å; K68-R338 WeakPolarHBondContact O-CD 3.19Å; K68-R338 WeakPolarHBondContact O-CG 3.33Å; K68-D366 IonicContact NZ-OD1 2.86Å; K68-D366 PolarHBondContact NZ-OD1 2.89Å |
| 69 | L | 82.2 | Confident | 86.8 | Confident | 15 Ų | 15 | 32.5 Ų | 32.5 | 8% | 0.079 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -80 | -32.8 | -176.6 | -164.3 | 74.3 | 0 | 0 | 0 | 112.9 | A65 I66 I134 M281 I331 L334 L335 | A65-L69 PolarHBondContact O-N 2.89Å; I66-L69 WeakPolarHBondContact O-CB 3.29Å; I66-L69 PolarHBondContact O-N 3.25Å; L69-I134 HydrophobicContact CD2-CD1 3.88Å; L69-M281 HydrophobicContact CD2-CE 4.1Å; L69-I331 HydrophobicContact CD1-CG2 4.17Å; L69-L334 HydrophobicContact CD1-CB 3.74Å; L69-L334 HydrophobicContact CD1-CD1 4.29Å; L69-L335 HydrophobicContact CB-CD2 4.25Å; L69-L335 HydrophobicContact CD1-CD1 4.48Å; L69-L335 HydrophobicContact CD1-CD2 3.67Å; L69-L335 HydrophobicContact CD1-CG 3.62Å |
| 70 | I | 84.2 | Confident | 87.3 | Confident | 11 Ų | 11 | 29.3 Ų | 29.3 | 6% | 0.056 | 15% | 0.149 | C | C | . | . | trans | -112.1 | 132.5 | -172.1 | 62.5 | -177.8 | 0 | 0 | 0 | 113.5 | I66 V75 F128 H132 I134 F157 | I66-I70 HydrophobicContact CG2-CD1 4.21Å; I66-I70 PolarHBondContact O-N 3.15Å; I70-V75 HydrophobicContact CD1-CG1 4Å; I70-V75 HydrophobicContact CG1-CG1 4.3Å; I70-F128 HydrophobicContact CB-CD1 4.45Å; I70-F128 HydrophobicContact CB-CE1 3.84Å; I70-F128 HydrophobicContact CG2-CD1 4.41Å; I70-F128 HydrophobicContact CG2-CE1 3.92Å; I70-H132 HydrophobicContact CG2-CB 4.28Å; I70-I134 HydrophobicContact CD1-CD1 4.48Å; I70-I134 HydrophobicContact CG2-CD1 3.42Å; I70-I134 VanDerWaalsContact CG2-CD1 3.42Å; I70-F157 HydrophobicContact CD1-CD1 4.26Å; I70-F157 HydrophobicContact CD1-CE1 3.74Å; I70-F157 HydrophobicContact CD1-CE2 4.28Å; I70-F157 HydrophobicContact CD1-CZ 3.76Å | ||
| 71 | E | 85.1 | Confident | 87.8 | Confident | 141 Ų | 141 | 29.4 Ų | 29.4 | 66% | 0.659 | 15% | 0.15 | S | C | * | . | trans | -134.3 | 114.1 | 168.8 | -176.7 | 170 | -163.3 | 0 | 0 | 108.8 | F128 | E71-F128 WeakPolarHBondContact O-CZ 3.39Š| ||
| 72 | H | 87.9 | Confident | 88.1 | Confident | 20 Ų | 20 | 27.8 Ų | 27.8 | 9% | 0.093 | 14% | 0.142 | C | C | . | . | trans | -149.9 | 139.4 | -174.1 | 177.4 | -97.7 | 0 | 0 | 0 | 110.4 | H74 V75 S124 A125 F128 | H72-H74 PolarHBondContact ND1-N 2.78Å; H72-H74 PolarHBondContact O-N 3.14Å; H72-V75 HydrophobicContact CB-CB 4.16Å; H72-V75 HydrophobicContact CB-CG2 3.95Å; H72-V75 PolarHBondContact O-N 3.21Å; H72-S124 PolarHBondContact CE1-OG 2.75Å; H72-S124 PolarHBondContact NE2-OG 2.72Å; H72-S124 VanDerWaalsContact NE2-OG 3.15Å; H72-A125 VanDerWaalsContact CE1-CA 3.49Å; H72-A125 WeakPolarHBondContact CE1-CA 3.36Å; H72-F128 HydrophobicContact CB-CD1 3.81Å; H72-F128 HydrophobicContact CB-CD2 4.29Å; H72-F128 HydrophobicContact CB-CE1 4.03Å; H72-F128 HydrophobicContact CB-CE2 4.48Å; H72-F128 HydrophobicContact CB-CG 3.96Å; H72-F128 HydrophobicContact CB-CZ 4.36Å; H72-F128 AromaticContact CD2-CD2 3.62Å; H72-F128 AromaticContact CD2-CG 3.65Å; H72-F128 AromaticContact CG-CG 3.9Å | ||
| 73 | P | 88.7 | Confident | 88.5 | Confident | 80 Ų | 80 | 29.6 Ų | 29.6 | 52% | 0.519 | 15% | 0.152 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -60.9 | -14.6 | -174.4 | 22.8 | -36.3 | 0 | 0 | 0 | 115.7 | R153 | P73-R153 VanDerWaalsContact O-CD 3.22Å; P73-R153 WeakPolarHBondContact O-CD 3.38Å; P73-R153 VanDerWaalsContact O-CZ 3.3Å; P73-R153 PolarHBondContact O-NE 3.24Å |
| 74 | H | 92.8 | Very high | 88.8 | Confident | 31 Ų | 31 | 30.6 Ų | 30.6 | 14% | 0.144 | 16% | 0.158 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -112.2 | 14.4 | 173.6 | -60.5 | -46.3 | 0 | 0 | 0 | 114.4 | H72 Q121 A125 I152 R153 V154 | H72-H74 PolarHBondContact ND1-N 2.78Å; H72-H74 PolarHBondContact O-N 3.14Å; H74-Q121 HydrophobicContact CB-CB 4.47Å; H74-Q121 VanDerWaalsContact CE1-CD 3.48Å; H74-Q121 PolarHBondContact CE1-NE2 3.19Å; H74-Q121 VanDerWaalsContact CE1-NE2 3.33Å; H74-Q121 WeakPolarHBondContact NE2-CG 3.43Å; H74-A125 HydrophobicContact CB-CB 3.91Å; H74-I152 WeakPolarHBondContact CA-O 3.47Å; H74-I152 PolarHBondContact ND1-O 3.24Å; H74-R153 WeakPolarHBondContact O-CA 3.29Å; H74-V154 PolarHBondContact O-N 2.84Å |
| 75 | V | 91.8 | Very high | 88.7 | Confident | 4 Ų | 4 | 39.5 Ų | 39.5 | 2% | 0.024 | 19% | 0.191 | C | C | . | . | B | Isolated β-bridge | trans | -108.4 | 151.1 | 167.7 | 174.2 | 0 | 0 | 0 | 0 | 108.8 | I70 H72 A125 R153 F157 | I70-V75 HydrophobicContact CD1-CG1 4Å; I70-V75 HydrophobicContact CG1-CG1 4.3Å; H72-V75 HydrophobicContact CB-CB 4.16Å; H72-V75 HydrophobicContact CB-CG2 3.95Å; H72-V75 PolarHBondContact O-N 3.21Å; V75-A125 HydrophobicContact CG2-CB 4.17Å; V75-R153 PolarHBondContact O-NH1 2.67Å; V75-R153 VanDerWaalsContact O-NH1 3.11Å; V75-F157 HydrophobicContact CG1-CE2 3.8Å; V75-F157 HydrophobicContact CG1-CZ 3.98Å; V75-F157 HydrophobicContact CG2-CZ 4.36Å |
| 76 | L | 91.9 | Very high | 88.8 | Confident | 13 Ų | 13 | 46.1 Ų | 46.1 | 7% | 0.068 | 22% | 0.215 | C | C | . | . | P | Polyproline II helix | trans | -79.2 | 118.6 | 175.8 | -170.4 | 75.9 | 0 | 0 | 0 | 110.5 | M67 L92 E93 V95 L145 R153 V154 A155 | M67-L76 WeakPolarHBondContact CE-O 3.16Å; L76-L92 HydrophobicContact CD2-CB 4.47Å; L76-L92 HydrophobicContact CD2-CD1 4.32Å; L76-E93 HydrophobicContact CD1-CB 3.95Å; L76-E93 HydrophobicContact CD1-CG 4.46Å; L76-E93 HydrophobicContact CG-CB 4.43Å; L76-V95 HydrophobicContact CD1-CG1 3.83Å; L76-V95 HydrophobicContact CD1-CG2 4.06Å; L76-L145 HydrophobicContact CD2-CD1 4.31Å; L76-R153 HydrophobicContact CB-CB 4.43Å; L76-R153 HydrophobicContact CD1-CB 4.2Å; L76-V154 WeakPolarHBondContact CB-O 3.22Å; L76-V154 PolarHBondContact N-O 2.8Å; L76-A155 HydrophobicContact CB-CB 4.27Å; L76-A155 HydrophobicContact CD2-CB 3.95Å |
| 77 | G | 90.9 | Very high | 89.1 | Confident | 25 Ų | 25 | 48.4 Ų | 48.4 | 26% | 0.258 | 23% | 0.226 | S | C | . | . | P | Polyproline II helix | trans | -73 | 142.9 | -176.9 | 0 | 0 | 0 | 0 | 0 | 114.7 | L92 E93 | G77-L92 WeakPolarHBondContact O-CA 3.5Å; G77-E93 PolarHBondContact N-OE2 2.99Å; G77-E93 PolarHBondContact O-N 2.7Å |
| 78 | L | 91.3 | Very high | 89.3 | Confident | 30 Ų | 30 | 47.9 Ų | 47.9 | 16% | 0.157 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.1 | 123.8 | 165 | 175.1 | 66.6 | 0 | 0 | 0 | 108.9 | I64 M67 D80 V81 L90 L92 | I64-L78 HydrophobicContact CG2-CD2 4.42Å; M67-L78 HydrophobicContact CB-CB 3.95Å; M67-L78 HydrophobicContact CB-CD2 3.9Å; M67-L78 HydrophobicContact CE-CB 4.21Å; L78-D80 WeakPolarHBondContact CD1-O 3.32Å; L78-V81 HydrophobicContact CD1-CG2 4.16Å; L78-V81 HydrophobicContact CD2-CG2 4.13Å; L78-L90 HydrophobicContact CD1-CB 4.11Å; L78-L90 HydrophobicContact CD1-CG 4.5Å; L78-L92 HydrophobicContact CB-CD2 4.19Å; L78-L92 HydrophobicContact CD1-CD2 3.72Å |
| 79 | Y | 89.7 | Confident | 89.6 | Confident | 87 Ų | 87 | 46.4 Ų | 46.4 | 34% | 0.341 | 22% | 0.217 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.5 | -44.4 | 178.6 | -62.1 | -50.8 | 0 | 0 | 0 | 112.9 | K40 V42 I91 E93 | K40-Y79 WeakPolarHBondContact CE-OH 3.36Å; K40-Y79 PolarHBondContact NZ-OH 2.86Å; V42-Y79 HydrophobicContact CG1-CD2 3.96Å; V42-Y79 HydrophobicContact CG1-CE2 4.04Å; Y79-I91 HydrophobicContact CD2-CG2 4.37Å; Y79-I91 PolarHBondContact N-O 2.87Å; Y79-E93 HydrophobicContact CE2-CB 4.32Å |
| 80 | D | 90 | Very high | 90.1 | Very high | 20 Ų | 20 | 45.7 Ų | 45.7 | 11% | 0.107 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -159.8 | 162.9 | -175.3 | -92.8 | -43.8 | 0 | 0 | 0 | 110.9 | L78 Y82 I91 S344 K363 | L78-D80 WeakPolarHBondContact CD1-O 3.32Å; D80-Y82 HydrophobicContact CB-CD2 4.41Å; D80-Y82 HydrophobicContact CB-CE2 3.96Å; D80-I91 HydrophobicContact CB-CB 4.22Å; D80-I91 HydrophobicContact CB-CG1 4.1Å; D80-I91 WeakPolarHBondContact O-CB 3.31Å; D80-I91 PolarHBondContact O-N 3.07Å; D80-S344 PolarHBondContact OD1-OG 3.48Å; D80-K363 VanDerWaalsContact CG-CE 3.44Å; D80-K363 WeakPolarHBondContact OD1-CE 3.43Å; D80-K363 IonicContact OD1-NZ 3.58Å; D80-K363 PolarHBondContact OD1-NZ 2.91Å; D80-K363 VanDerWaalsContact OD1-NZ 3.08Å; D80-K363 WeakPolarHBondContact OD2-CE 3.34Å; D80-K363 IonicContact OD2-NZ 3.57Å; D80-K363 PolarHBondContact OD2-NZ 3.19Å |
| 81 | V | 92.2 | Very high | 90.6 | Very high | 7 Ų | 7 | 45.2 Ų | 45.2 | 4% | 0.042 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125 | 130.7 | 169.9 | -178.9 | 0 | 0 | 0 | 0 | 109.3 | I64 L78 L90 R364 | I64-V81 HydrophobicContact CD1-CG1 4.25Å; I64-V81 HydrophobicContact CD1-CG2 4.33Å; I64-V81 HydrophobicContact CG1-CG2 4.26Å; I64-V81 HydrophobicContact CG2-CG2 3.94Å; L78-V81 HydrophobicContact CD1-CG2 4.16Å; L78-V81 HydrophobicContact CD2-CG2 4.13Å; V81-L90 HydrophobicContact CG2-CG 4.43Å; V81-R364 HydrophobicContact CG1-CG 4.37Å; V81-R364 PolarHBondContact O-N 3.01Å |
| 82 | Y | 93.3 | Very high | 91 | Very high | 1 Ų | 1 | 39 Ų | 39 | 0% | 0.004 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.6 | 151.2 | 170.5 | -69 | -111.3 | 0 | 0 | 0 | 110 | V13 P15 Y16 D80 Y89 I91 D347 R362 K363 | V13-Y82 HydrophobicContact CG1-CD1 4.14Å; V13-Y82 HydrophobicContact CG1-CD2 4.1Å; V13-Y82 HydrophobicContact CG1-CG 3.76Å; P15-Y82 WeakPolarHBondContact CD-OH 3.24Å; Y16-Y82 HydrophobicContact CE2-CE2 4.3Å; D80-Y82 HydrophobicContact CB-CD2 4.41Å; D80-Y82 HydrophobicContact CB-CE2 3.96Å; Y82-Y89 PolarHBondContact N-O 3.47Å; Y82-Y89 PolarHBondContact O-N 3.35Å; Y82-I91 HydrophobicContact CD2-CD1 4.09Å; Y82-I91 HydrophobicContact CD2-CG1 3.73Å; Y82-I91 HydrophobicContact CE2-CD1 4.43Å; Y82-I91 HydrophobicContact CE2-CG1 3.91Å; Y82-D347 WeakPolarHBondContact CE1-OD2 3.37Å; Y82-D347 PolarHBondContact OH-OD1 3.06Å; Y82-D347 PolarHBondContact OH-OD2 2.75Å; Y82-R362 CarbonylContact C-O 3.56Å; Y82-R362 WeakPolarHBondContact CA-O 3.45Å; Y82-K363 HydrophobicContact CD1-CB 3.95Å; Y82-K363 HydrophobicContact CE1-CB 3.62Å; Y82-K363 HydrophobicContact CE1-CD 4.48Å; Y82-K363 HydrophobicContact CE1-CG 4.4Å; Y82-K363 HydrophobicContact CE2-CB 4.47Å; Y82-K363 HydrophobicContact CE2-CD 4.36Å; Y82-K363 HydrophobicContact CE2-CG 4.44Å; Y82-K363 HydrophobicContact CG-CB 4.48Å |
| 83 | E | 91.6 | Very high | 91.3 | Very high | 66 Ų | 66 | 39.5 Ų | 39.5 | 31% | 0.308 | 18% | 0.184 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.5 | 155.2 | 177.9 | 67.1 | -168.5 | 161 | 0 | 0 | 113.2 | H87 L88 P361 R362 R364 | E83-H87 WeakPolarHBondContact CA-O 3.49Å; E83-L88 HydrophobicContact CB-CD2 3.53Å; E83-L88 WeakPolarHBondContact OE2-CD2 3.19Å; E83-P361 WeakPolarHBondContact O-CA 3.49Å; E83-R362 PolarHBondContact N-O 3.33Å; E83-R362 PolarHBondContact O-N 2.98Å; E83-R364 HydrophobicContact CG-CG 4.33Å; E83-R364 WeakPolarHBondContact OE1-CG 3.39Å; E83-R364 IonicContact OE1-NE 3.43Å; E83-R364 PolarHBondContact OE1-NE 3.26Å; E83-R364 IonicContact OE2-CZ 2.68Å; E83-R364 VanDerWaalsContact OE2-CZ 3.24Å; E83-R364 IonicContact OE2-NE 3.43Å; E83-R364 PolarHBondContact OE2-NE 3.43Å; E83-R364 IonicContact OE2-NH2 2.95Å; E83-R364 PolarHBondContact OE2-NH2 2.91Å |
| 84 | N | 89.4 | Confident | 91.5 | Very high | 28 Ų | 28 | 37.1 Ų | 37.1 | 15% | 0.15 | 17% | 0.166 | C | C | . | . | trans | -140.6 | -177.1 | 161.2 | 69.7 | 9.9 | 0 | 0 | 0 | 108.8 | R86 H87 D359 | N84-R86 PolarHBondContact O-N 2.93Å; N84-R86 PolarHBondContact OD1-N 2.91Å; N84-H87 PolarHBondContact N-O 2.92Å; N84-H87 PolarHBondContact O-N 3.14Å; N84-H87 PolarHBondContact OD1-N 2.93Å; N84-D359 WeakPolarHBondContact CB-OD2 3.27Å; N84-D359 PolarHBondContact ND2-O 2.85Å | ||
| 85 | R | 86.2 | Confident | 91.4 | Very high | 194 Ų | 194 | 36.9 Ų | 36.9 | 73% | 0.732 | 17% | 0.166 | S | C | * | . | S | Bend | trans | -55.3 | -29.2 | -174 | -62.9 | 168.9 | -170.8 | -139.2 | -2.2 | 112.8 | D359 | R85-D359 VanDerWaalsContact CB-OD2 3.24Å; R85-D359 WeakPolarHBondContact CB-OD2 3.37Å; R85-D359 WeakPolarHBondContact CD-OD2 3.34Å; R85-D359 WeakPolarHBondContact CG-OD2 3.41Å; R85-D359 PolarHBondContact N-OD2 2.82Å; R85-D359 IonicContact NE-OD1 3.54Å |
| 86 | R | 87.4 | Confident | 91.2 | Very high | 142 Ų | 142 | 38.5 Ų | 38.5 | 54% | 0.536 | 18% | 0.178 | S | C | . | . | S | Bend | trans | -101.5 | -30 | -171.9 | -59.1 | -152.6 | 152.9 | 135.6 | 1.9 | 115.4 | N48 R49 E50 N84 | N48-R86 CarbonylContact C-O 3.55Å; N48-R86 PolarHBondContact ND2-O 3.09Å; R49-R86 PolarHBondContact N-O 3.37Å; E50-R86 VanDerWaalsContact CD-CG 3.5Å; E50-R86 WeakPolarHBondContact OE1-CD 3.43Å; E50-R86 WeakPolarHBondContact OE1-CG 3.43Å; E50-R86 IonicContact OE1-CZ 3.69Å; E50-R86 IonicContact OE1-NE 3.56Å; E50-R86 PolarHBondContact OE1-NE 2.93Å; E50-R86 WeakPolarHBondContact OE2-CB 3.3Å; E50-R86 VanDerWaalsContact OE2-CD 3.26Å; E50-R86 WeakPolarHBondContact OE2-CD 3.49Å; E50-R86 WeakPolarHBondContact OE2-CG 3.38Å; E50-R86 IonicContact OE2-NE 3.64Å; E50-R86 PolarHBondContact OE2-NE 2.79Å; N84-R86 PolarHBondContact O-N 2.93Å; N84-R86 PolarHBondContact OD1-N 2.91Å |
| 87 | H | 90.5 | Very high | 90.9 | Very high | 50 Ų | 50 | 39 Ų | 39 | 23% | 0.231 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.9 | 145.7 | -168 | -60.2 | 93.5 | 0 | 0 | 0 | 113.1 | I46 V47 N48 E83 N84 Y89 | I46-H87 HydrophobicContact CG2-CB 4.36Å; V47-H87 CarbonylContact O-C 3.58Å; V47-H87 WeakPolarHBondContact O-CA 3.26Å; V47-H87 WeakPolarHBondContact O-CB 3.26Å; N48-H87 PolarHBondContact ND2-NE2 2.82Å; E83-H87 WeakPolarHBondContact CA-O 3.49Å; N84-H87 PolarHBondContact N-O 2.92Å; N84-H87 PolarHBondContact O-N 3.14Å; N84-H87 PolarHBondContact OD1-N 2.93Å; H87-Y89 HydrophobicContact CB-CD2 4.17Å; H87-Y89 HydrophobicContact CB-CE1 4.48Å; H87-Y89 HydrophobicContact CB-CE2 3.49Å; H87-Y89 VanDerWaalsContact CB-CE2 3.49Å |
| 88 | L | 91.7 | Very high | 90.7 | Very high | 0 Ų | 0 | 38.9 Ų | 38.9 | 0% | 0 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.4 | 144.4 | 160.3 | -52.6 | -179 | 0 | 0 | 0 | 108.7 | I46 V47 L57 V60 E83 L90 | I46-L88 WeakPolarHBondContact CA-O 3.34Å; V47-L88 HydrophobicContact CB-CB 4.32Å; V47-L88 PolarHBondContact N-O 3.44Å; V47-L88 PolarHBondContact O-N 3.15Å; L57-L88 HydrophobicContact CD1-CD1 4.01Å; V60-L88 HydrophobicContact CG1-CD1 3.96Å; E83-L88 HydrophobicContact CB-CD2 3.53Å; E83-L88 WeakPolarHBondContact OE2-CD2 3.19Å; L88-L90 HydrophobicContact CB-CD1 4.15Å |
| 89 | Y | 93.6 | Very high | 90.7 | Very high | 10 Ų | 10 | 39 Ų | 39 | 4% | 0.039 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.9 | 99.9 | -178.3 | -55.4 | -104.6 | 0 | 0 | 0 | 108.2 | V13 V44 I46 Y82 H87 P361 | V13-Y89 HydrophobicContact CG1-CD1 4.22Å; V13-Y89 HydrophobicContact CG1-CG 4.08Å; V13-Y89 HydrophobicContact CG2-CD1 3.5Å; V13-Y89 VanDerWaalsContact CG2-CD1 3.5Å; V13-Y89 HydrophobicContact CG2-CE1 3.71Å; V13-Y89 HydrophobicContact CG2-CG 4.17Å; V44-Y89 HydrophobicContact CG1-CD1 4.29Å; I46-Y89 HydrophobicContact CB-CD1 4.38Å; I46-Y89 HydrophobicContact CD1-CD1 4.29Å; I46-Y89 HydrophobicContact CD1-CE1 4.29Å; I46-Y89 HydrophobicContact CG1-CD1 3.87Å; I46-Y89 HydrophobicContact CG1-CE1 4.26Å; I46-Y89 HydrophobicContact CG2-CD1 3.95Å; I46-Y89 HydrophobicContact CG2-CE1 3.81Å; Y82-Y89 PolarHBondContact N-O 3.47Å; Y82-Y89 PolarHBondContact O-N 3.35Å; H87-Y89 HydrophobicContact CB-CD2 4.17Å; H87-Y89 HydrophobicContact CB-CE1 4.48Å; H87-Y89 HydrophobicContact CB-CE2 3.49Å; H87-Y89 VanDerWaalsContact CB-CE2 3.49Å; Y89-P361 HydrophobicContact CD2-CB 4.02Å; Y89-P361 HydrophobicContact CD2-CG 4.25Å; Y89-P361 HydrophobicContact CE1-CG 4.39Å; Y89-P361 HydrophobicContact CE2-CB 3.84Å; Y89-P361 HydrophobicContact CE2-CG 3.63Å |
| 90 | L | 93 | Very high | 90.8 | Very high | 0 Ų | 0 | 34.9 Ų | 34.9 | 0% | 0 | 17% | 0.169 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.3 | 123.8 | 178.1 | -71.4 | 63.5 | 0 | 0 | 0 | 108.3 | V44 K45 V47 I64 L78 V81 L88 L92 | V44-L90 WeakPolarHBondContact CA-O 3.21Å; K45-L90 HydrophobicContact CB-CB 4.27Å; K45-L90 PolarHBondContact N-O 3.09Å; K45-L90 PolarHBondContact O-N 2.94Å; V47-L90 HydrophobicContact CG2-CD1 4.48Å; I64-L90 HydrophobicContact CD1-CD1 4.16Å; I64-L90 HydrophobicContact CD1-CD2 4.42Å; I64-L90 HydrophobicContact CD1-CG 4.31Å; I64-L90 HydrophobicContact CG1-CD1 4.47Å; I64-L90 HydrophobicContact CG1-CD2 3.86Å; I64-L90 HydrophobicContact CG1-CG 4.11Å; L78-L90 HydrophobicContact CD1-CB 4.11Å; L78-L90 HydrophobicContact CD1-CG 4.5Å; V81-L90 HydrophobicContact CG2-CG 4.43Å; L88-L90 HydrophobicContact CB-CD1 4.15Å; L90-L92 HydrophobicContact CB-CD2 4.43Å; L90-L92 HydrophobicContact CB-CG 4.41Å |
| 91 | I | 94.5 | Very high | 90.7 | Very high | 0 Ų | 0 | 35.1 Ų | 35.1 | 0% | 0 | 17% | 0.169 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.2 | 99.2 | -179.1 | -49.6 | -57.9 | 0 | 0 | 0 | 108.7 | V13 Y16 V42 V44 Y79 D80 Y82 | V13-I91 HydrophobicContact CG1-CD1 4.13Å; Y16-I91 HydrophobicContact CD2-CD1 4.01Å; Y16-I91 HydrophobicContact CD2-CG1 4.35Å; Y16-I91 HydrophobicContact CD2-CG2 4.29Å; Y16-I91 HydrophobicContact CE1-CG2 4.15Å; Y16-I91 HydrophobicContact CE2-CD1 4.26Å; Y16-I91 HydrophobicContact CE2-CG1 4.09Å; Y16-I91 HydrophobicContact CE2-CG2 3.74Å; V42-I91 HydrophobicContact CB-CG2 3.98Å; V42-I91 HydrophobicContact CG1-CG2 4.01Å; V42-I91 HydrophobicContact CG2-CG2 4.02Å; V44-I91 HydrophobicContact CG1-CD1 4.05Å; V44-I91 HydrophobicContact CG2-CD1 3.91Å; Y79-I91 HydrophobicContact CD2-CG2 4.37Å; Y79-I91 PolarHBondContact N-O 2.87Å; D80-I91 HydrophobicContact CB-CB 4.22Å; D80-I91 HydrophobicContact CB-CG1 4.1Å; D80-I91 WeakPolarHBondContact O-CB 3.31Å; D80-I91 PolarHBondContact O-N 3.07Å; Y82-I91 HydrophobicContact CD2-CD1 4.09Å; Y82-I91 HydrophobicContact CD2-CG1 3.73Å; Y82-I91 HydrophobicContact CE2-CD1 4.43Å; Y82-I91 HydrophobicContact CE2-CG1 3.91Å |
| 92 | L | 93.4 | Very high | 90.6 | Very high | 11 Ų | 11 | 38 Ų | 38 | 6% | 0.058 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.2 | 161.9 | -173.1 | -56.2 | 172.1 | 0 | 0 | 0 | 112.3 | V42 A43 K45 M67 L76 G77 L78 L90 H94 | V42-L92 WeakPolarHBondContact CA-O 3.46Å; V42-L92 WeakPolarHBondContact CB-O 3.41Å; A43-L92 HydrophobicContact CB-CB 4.25Å; A43-L92 PolarHBondContact N-O 2.91Å; A43-L92 WeakPolarHBondContact O-CA 2.98Å; A43-L92 WeakPolarHBondContact O-CB 3.44Å; A43-L92 PolarHBondContact O-N 3.45Å; K45-L92 HydrophobicContact CB-CD1 3.88Å; K45-L92 HydrophobicContact CD-CD1 4.06Å; M67-L92 HydrophobicContact CE-CD2 3.8Å; M67-L92 HydrophobicContact SD-CD2 4.39Å; L76-L92 HydrophobicContact CD2-CB 4.47Å; L76-L92 HydrophobicContact CD2-CD1 4.32Å; G77-L92 WeakPolarHBondContact O-CA 3.5Å; L78-L92 HydrophobicContact CB-CD2 4.19Å; L78-L92 HydrophobicContact CD1-CD2 3.72Å; L90-L92 HydrophobicContact CB-CD2 4.43Å; L90-L92 HydrophobicContact CB-CG 4.41Å; L92-H94 PolarHBondContact O-N 2.82Å |
| 93 | E | 92.6 | Very high | 90.5 | Very high | 30 Ų | 30 | 39.3 Ų | 39.3 | 14% | 0.14 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -55.6 | 134 | 166.2 | -176.7 | 172.2 | -164.3 | 0 | 0 | 111.9 | L76 G77 Y79 V95 R153 | L76-E93 HydrophobicContact CD1-CB 3.95Å; L76-E93 HydrophobicContact CD1-CG 4.46Å; L76-E93 HydrophobicContact CG-CB 4.43Å; G77-E93 PolarHBondContact N-OE2 2.99Å; G77-E93 PolarHBondContact O-N 2.7Å; Y79-E93 HydrophobicContact CE2-CB 4.32Å; E93-V95 HydrophobicContact CG-CG1 4.42Å; E93-R153 IonicContact OE1-CZ 2.95Å; E93-R153 IonicContact OE1-NE 3.29Å; E93-R153 IonicContact OE1-NH1 3.99Å; E93-R153 PolarHBondContact OE1-NH1 3.28Å; E93-R153 IonicContact OE1-NH2 3.85Å; E93-R153 PolarHBondContact OE1-NH2 2.86Å; E93-R153 IonicContact OE2-CZ 3.71Å; E93-R153 VanDerWaalsContact OE2-CZ 3.28Å; E93-R153 IonicContact OE2-NH1 3.16Å; E93-R153 PolarHBondContact OE2-NH1 3.25Å; E93-R153 IonicContact OE2-NH2 3.95Å |
| 94 | H | 93.1 | Very high | 90.5 | Very high | 31 Ų | 31 | 36.2 Ų | 36.2 | 14% | 0.144 | 18% | 0.175 | C | C | . | . | trans | -91 | 112.5 | 174.1 | 174.5 | -81.8 | 0 | 0 | 0 | 111.2 | M32 K41 L92 S96 | M32-H94 VanDerWaalsContact CE-CD2 3.41Å; M32-H94 WeakPolarHBondContact CE-CD2 2.89Å; M32-H94 WeakPolarHBondContact CE-NE2 3.34Å; K41-H94 HydrophobicContact CB-CB 4.22Å; L92-H94 PolarHBondContact O-N 2.82Å; H94-S96 PolarHBondContact CE1-OG 3.08Å | ||
| 95 | V | 91.8 | Very high | 90.5 | Very high | 25 Ų | 25 | 39.6 Ų | 39.6 | 15% | 0.152 | 20% | 0.196 | C | C | . | . | trans | -103.2 | 123.3 | 174.7 | -70.8 | 0 | 0 | 0 | 0 | 110.9 | L76 E93 L145 R153 | L76-V95 HydrophobicContact CD1-CG1 3.83Å; L76-V95 HydrophobicContact CD1-CG2 4.06Å; E93-V95 HydrophobicContact CG-CG1 4.42Å; V95-L145 HydrophobicContact CG2-CB 3.75Å; V95-L145 HydrophobicContact CG2-CD1 3.67Å; V95-L145 HydrophobicContact CG2-CG 4.33Å; V95-R153 HydrophobicContact CG1-CB 4.22Å; V95-R153 HydrophobicContact CG1-CG 3.78Å | ||
| 96 | S | 88.2 | Confident | 90.7 | Very high | 38 Ų | 38 | 37.9 Ų | 37.9 | 27% | 0.266 | 19% | 0.19 | S | C | . | . | trans | -97.1 | -15.5 | -172.2 | -19.7 | 0 | 0 | 0 | 0 | 115.5 | H94 G98 D148 R985 | H94-S96 PolarHBondContact CE1-OG 3.08Å; S96-G98 VanDerWaalsContact C-N 3.28Å; S96-G98 PolarHBondContact O-N 3.1Å; S96-D148 WeakPolarHBondContact CB-OD1 3.5Å; S96-D148 PolarHBondContact OG-OD1 3.4Å; S96-R985 PolarHBondContact O-NH1 2.81Å | ||
| 97 | G | 84.7 | Confident | 90.9 | Very high | 25 Ų | 25 | 34.8 Ų | 34.8 | 26% | 0.258 | 18% | 0.18 | S | C | . | . | S | Bend | trans | -68.8 | -20.8 | -173 | 0 | 0 | 0 | 0 | 0 | 115.1 | L146 | G97-L146 WeakPolarHBondContact CA-O 3.38Å; G97-L146 PolarHBondContact N-O 3.17Å |
| 98 | G | 87.5 | Confident | 90.9 | Very high | 22 Ų | 22 | 33.5 Ų | 33.5 | 23% | 0.227 | 18% | 0.181 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 92.8 | -151.1 | -176 | 0 | 0 | 0 | 0 | 0 | 111.8 | S96 L145 L146 | S96-G98 VanDerWaalsContact C-N 3.28Å; S96-G98 PolarHBondContact O-N 3.1Å; G98-L145 CarbonylContact O-C 3.59Å; G98-L145 WeakPolarHBondContact O-CA 3.44Å; G98-L146 PolarHBondContact O-N 3.45Å |
| 99 | E | 90.3 | Very high | 90.9 | Very high | 33 Ų | 33 | 39.6 Ų | 39.6 | 15% | 0.154 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.5 | 149.5 | 177.8 | -68.4 | 162.6 | -134.4 | 0 | 0 | 111.7 | F101 D102 Y103 L145 F983 | E99-F101 PolarHBondContact O-N 2.86Å; E99-D102 HydrophobicContact CB-CB 4.28Å; E99-D102 WeakPolarHBondContact O-CB 3.4Å; E99-D102 PolarHBondContact O-N 2.77Å; E99-D102 VanDerWaalsContact O-N 3.13Å; E99-Y103 PolarHBondContact O-N 3.19Å; E99-L145 HydrophobicContact CG-CD2 4.1Å; E99-F983 WeakPolarHBondContact OE1-CB 3.23Å; E99-F983 VanDerWaalsContact OE1-CD2 3.3Å; E99-F983 WeakPolarHBondContact OE1-CD2 3.42Å |
| 100 | L | 91.4 | Very high | 90.9 | Very high | 0 Ų | 0 | 39.3 Ų | 39.3 | 0% | 0 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -57.7 | -36.1 | 172.9 | 179.7 | 63.9 | 0 | 0 | 0 | 111.9 | Y103 L104 F118 I122 L144 L146 I152 L206 | L100-Y103 WeakPolarHBondContact O-CA 3.25Å; L100-Y103 VanDerWaalsContact O-CB 3.31Å; L100-Y103 WeakPolarHBondContact O-CB 3.38Å; L100-Y103 PolarHBondContact O-N 3.12Å; L100-Y103 VanDerWaalsContact O-N 3.13Å; L100-L104 PolarHBondContact O-N 2.76Å; L100-F118 HydrophobicContact CD1-CB 4.41Å; L100-F118 HydrophobicContact CD1-CD1 3.77Å; L100-F118 HydrophobicContact CD1-CD2 3.93Å; L100-F118 HydrophobicContact CD1-CE1 3.89Å; L100-F118 HydrophobicContact CD1-CE2 4.04Å; L100-F118 HydrophobicContact CD1-CG 3.78Å; L100-F118 HydrophobicContact CD1-CZ 4.02Å; L100-I122 HydrophobicContact CD2-CD1 4.3Å; L100-L144 HydrophobicContact CB-CB 3.89Å; L100-L144 WeakPolarHBondContact CB-O 3.25Å; L100-L144 HydrophobicContact CD2-CB 4.24Å; L100-L144 HydrophobicContact CD2-CD1 3.76Å; L100-L144 PolarHBondContact N-O 3.01Å; L100-L146 HydrophobicContact CD1-CD2 4.36Å; L100-I152 HydrophobicContact CB-CD1 4.26Å; L100-I152 HydrophobicContact CD1-CD1 4Å; L100-I152 HydrophobicContact CD2-CD1 3.74Å; L100-I152 HydrophobicContact CG-CD1 4.21Å; L100-L206 HydrophobicContact CD1-CD2 4.19Å; L100-L206 HydrophobicContact CD2-CD1 4.12Å; L100-L206 HydrophobicContact CD2-CD2 3.71Å; L100-L206 HydrophobicContact CD2-CG 4.48Å; L100-L206 HydrophobicContact CG-CD2 3.86Å |
| 101 | F | 89.3 | Confident | 90.9 | Very high | 24 Ų | 24 | 41.9 Ų | 41.9 | 11% | 0.105 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -76.7 | -25.9 | 179 | -83.9 | -114.5 | 0 | 0 | 0 | 112.9 | E99 Y103 L104 V105 P141 I202 A205 | E99-F101 PolarHBondContact O-N 2.86Å; F101-Y103 PolarHBondContact O-N 3.22Å; F101-L104 HydrophobicContact CD1-CD2 3.81Å; F101-L104 HydrophobicContact CE1-CD2 3.76Å; F101-L104 HydrophobicContact CG-CD2 4.38Å; F101-L104 HydrophobicContact CZ-CD2 4.28Å; F101-L104 PolarHBondContact O-N 2.87Å; F101-V105 WeakPolarHBondContact O-CB 3.4Å; F101-V105 VanDerWaalsContact O-CG2 3.27Å; F101-V105 WeakPolarHBondContact O-CG2 3.11Å; F101-V105 PolarHBondContact O-N 2.81Å; F101-P141 HydrophobicContact CB-CB 3.97Å; F101-P141 HydrophobicContact CD1-CB 4.02Å; F101-P141 HydrophobicContact CD1-CG 3.88Å; F101-P141 HydrophobicContact CD2-CB 3.51Å; F101-P141 HydrophobicContact CD2-CG 3.86Å; F101-P141 HydrophobicContact CE1-CB 4.41Å; F101-P141 HydrophobicContact CE1-CG 3.83Å; F101-P141 HydrophobicContact CE2-CB 3.96Å; F101-P141 HydrophobicContact CE2-CG 3.81Å; F101-P141 HydrophobicContact CG-CB 3.55Å; F101-P141 HydrophobicContact CG-CG 3.9Å; F101-P141 HydrophobicContact CZ-CB 4.39Å; F101-P141 HydrophobicContact CZ-CG 3.8Å; F101-I202 HydrophobicContact CE2-CG2 4.44Å; F101-A205 HydrophobicContact CE1-CB 3.87Å; F101-A205 HydrophobicContact CZ-CB 3.77Å |
| 102 | D | 88.7 | Confident | 90.8 | Very high | 68 Ų | 68 | 45.2 Ų | 45.2 | 36% | 0.364 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -65.5 | -28.9 | 166 | -112.4 | 3.8 | 0 | 0 | 0 | 111.1 | E99 R106 | E99-D102 HydrophobicContact CB-CB 4.28Å; E99-D102 WeakPolarHBondContact O-CB 3.4Å; E99-D102 PolarHBondContact O-N 2.77Å; E99-D102 VanDerWaalsContact O-N 3.13Å; D102-R106 WeakPolarHBondContact O-CG 3.23Å; D102-R106 PolarHBondContact O-NE 3.4Å |
| 103 | Y | 91 | Very high | 90.7 | Very high | 29 Ų | 29 | 51.5 Ų | 51.5 | 11% | 0.114 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -74.4 | -45.4 | 169.8 | -170.6 | -102.8 | 0 | 0 | 0 | 112.3 | E99 L100 F101 V105 R106 K107 L110 E114 F118 L146 L150 | E99-Y103 PolarHBondContact O-N 3.19Å; L100-Y103 WeakPolarHBondContact O-CA 3.25Å; L100-Y103 VanDerWaalsContact O-CB 3.31Å; L100-Y103 WeakPolarHBondContact O-CB 3.38Å; L100-Y103 PolarHBondContact O-N 3.12Å; L100-Y103 VanDerWaalsContact O-N 3.13Å; F101-Y103 PolarHBondContact O-N 3.22Å; Y103-V105 PolarHBondContact O-N 3.34Å; Y103-R106 WeakPolarHBondContact O-CB 2.77Å; Y103-R106 PolarHBondContact O-N 2.71Å; Y103-K107 HydrophobicContact CD1-CG 4.39Å; Y103-K107 HydrophobicContact CE1-CG 4.03Å; Y103-K107 PolarHBondContact O-N 3.14Å; Y103-K107 VanDerWaalsContact O-N 3.14Å; Y103-K107 WeakPolarHBondContact OH-CE 3.34Å; Y103-K107 PolarHBondContact OH-NZ 3.25Å; Y103-L110 HydrophobicContact CD1-CD2 3.88Å; Y103-L110 HydrophobicContact CE1-CD2 3.81Å; Y103-E114 PolarHBondContact OH-OE1 2.71Å; Y103-F118 HydrophobicContact CD1-CE2 4.14Å; Y103-F118 HydrophobicContact CD1-CZ 4.17Å; Y103-F118 HydrophobicContact CE1-CE2 4.02Å; Y103-F118 HydrophobicContact CE1-CZ 4.14Å; Y103-L146 HydrophobicContact CG-CD1 4.49Å; Y103-L150 HydrophobicContact CE2-CD1 4.15Å |
| 104 | L | 91.9 | Very high | 90.7 | Very high | 0 Ų | 0 | 52.4 Ų | 52.4 | 0% | 0 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -56.4 | -49.2 | 175.3 | -178.7 | 62.4 | 0 | 0 | 0 | 111.7 | L100 F101 R106 K107 G108 L110 A205 L206 W1033 | L100-L104 PolarHBondContact O-N 2.76Å; F101-L104 HydrophobicContact CD1-CD2 3.81Å; F101-L104 HydrophobicContact CE1-CD2 3.76Å; F101-L104 HydrophobicContact CG-CD2 4.38Å; F101-L104 HydrophobicContact CZ-CD2 4.28Å; F101-L104 PolarHBondContact O-N 2.87Å; L104-R106 VanDerWaalsContact C-N 3.25Å; L104-R106 PolarHBondContact O-N 3.46Å; L104-K107 CarbonylContact O-C 3.29Å; L104-K107 PolarHBondContact O-N 2.76Å; L104-G108 CarbonylContact O-C 3.49Å; L104-G108 WeakPolarHBondContact O-CA 3.29Å; L104-G108 PolarHBondContact O-N 3.26Å; L104-L110 HydrophobicContact CD1-CD2 4.35Å; L104-L110 HydrophobicContact CD1-CG 4.01Å; L104-A205 HydrophobicContact CD2-CB 4.49Å; L104-A205 WeakPolarHBondContact CD2-O 3.23Å; L104-L206 HydrophobicContact CD2-CD2 4.47Å; L104-W1033 HydrophobicContact CD2-CH2 4.22Å; L104-W1033 HydrophobicContact CD2-CZ3 4.04Å; L104-W1033 HydrophobicContact CG-CZ3 4.32Å |
| 105 | V | 89.7 | Confident | 90.7 | Very high | 99 Ų | 99 | 51 Ų | 51 | 60% | 0.6 | 27% | 0.27 | S | S | * | . | H | α-helix | trans | -61.2 | -32.6 | 179.5 | 168.5 | 0 | 0 | 0 | 0 | 112.1 | F101 Y103 | F101-V105 WeakPolarHBondContact O-CB 3.4Å; F101-V105 VanDerWaalsContact O-CG2 3.27Å; F101-V105 WeakPolarHBondContact O-CG2 3.11Å; F101-V105 PolarHBondContact O-N 2.81Å; Y103-V105 PolarHBondContact O-N 3.34Å |
| 106 | R | 90.3 | Very high | 90.8 | Very high | 158 Ų | 158 | 51.6 Ų | 51.6 | 60% | 0.596 | 27% | 0.27 | S | S | * | . | H | α-helix | trans | -71.4 | -29.3 | 173 | -77.5 | 177 | -75.3 | 156 | -8.1 | 113.6 | D102 Y103 L104 | D102-R106 WeakPolarHBondContact O-CG 3.23Å; D102-R106 PolarHBondContact O-NE 3.4Å; Y103-R106 WeakPolarHBondContact O-CB 2.77Å; Y103-R106 PolarHBondContact O-N 2.71Å; L104-R106 VanDerWaalsContact C-N 3.25Å; L104-R106 PolarHBondContact O-N 3.46Å |
| 107 | K | 91.4 | Very high | 91 | Very high | 77 Ų | 77 | 55.1 Ų | 55.1 | 34% | 0.335 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -92.1 | -20 | 177.6 | -68.3 | -69.6 | -165.7 | 86.3 | 0 | 113.4 | Y103 L104 R109 L110 E114 | Y103-K107 HydrophobicContact CD1-CG 4.39Å; Y103-K107 HydrophobicContact CE1-CG 4.03Å; Y103-K107 PolarHBondContact O-N 3.14Å; Y103-K107 VanDerWaalsContact O-N 3.14Å; Y103-K107 WeakPolarHBondContact OH-CE 3.34Å; Y103-K107 PolarHBondContact OH-NZ 3.25Å; L104-K107 CarbonylContact O-C 3.29Å; L104-K107 PolarHBondContact O-N 2.76Å; K107-R109 PolarHBondContact O-N 2.92Å; K107-L110 HydrophobicContact CB-CD2 3.83Å; K107-L110 HydrophobicContact CG-CD2 3.75Å; K107-E114 VanDerWaalsContact NZ-CD 3.28Å; K107-E114 IonicContact NZ-OE1 2.71Å; K107-E114 PolarHBondContact NZ-OE1 2.98Å; K107-E114 IonicContact NZ-OE2 3.03Å; K107-E114 PolarHBondContact NZ-OE2 2.96Å |
| 108 | G | 90.2 | Very high | 91.4 | Very high | 24 Ų | 24 | 54.1 Ų | 54.1 | 25% | 0.247 | 27% | 0.266 | C | S | . | . | S | Bend | trans | 76.3 | -58.8 | -164.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | L104 G209 | L104-G108 CarbonylContact O-C 3.49Å; L104-G108 WeakPolarHBondContact O-CA 3.29Å; L104-G108 PolarHBondContact O-N 3.26Å; G108-G209 WeakPolarHBondContact O-CA 3.45Å |
| 109 | R | 91.7 | Very high | 91.7 | Very high | 127 Ų | 127 | 53.1 Ų | 53.1 | 48% | 0.479 | 26% | 0.255 | S | S | . | . | S | Bend | trans | -147.1 | 155.3 | 173.1 | 65.9 | -178.7 | -178.8 | 126.6 | 4.1 | 110.3 | K107 | K107-R109 PolarHBondContact O-N 2.92Š|
| 110 | L | 93.6 | Very high | 91.8 | Very high | 5 Ų | 5 | 53.5 Ų | 53.5 | 3% | 0.026 | 26% | 0.256 | C | S | . | . | trans | -91.9 | 154.5 | 179.6 | -53.9 | -173 | 0 | 0 | 0 | 112 | Y103 L104 K107 E114 A115 F118 L206 | Y103-L110 HydrophobicContact CD1-CD2 3.88Å; Y103-L110 HydrophobicContact CE1-CD2 3.81Å; L104-L110 HydrophobicContact CD1-CD2 4.35Å; L104-L110 HydrophobicContact CD1-CG 4.01Å; K107-L110 HydrophobicContact CB-CD2 3.83Å; K107-L110 HydrophobicContact CG-CD2 3.75Å; L110-E114 HydrophobicContact CB-CB 4.46Å; L110-E114 HydrophobicContact CB-CG 4.35Å; L110-E114 HydrophobicContact CD1-CG 4.37Å; L110-A115 HydrophobicContact CB-CB 4.25Å; L110-F118 HydrophobicContact CD1-CD2 3.58Å; L110-F118 HydrophobicContact CD1-CE2 3.73Å; L110-L206 WeakPolarHBondContact CB-O 3.46Å; L110-L206 HydrophobicContact CD1-CB 4.27Å; L110-L206 HydrophobicContact CD1-CD2 3.77Å; L110-L206 PolarHBondContact N-O 3.27Å | ||
| 111 | A | 92.8 | Very high | 91.9 | Very high | 54 Ų | 54 | 54.4 Ų | 54.4 | 45% | 0.446 | 26% | 0.261 | S | S | . | . | trans | -69.5 | 146.9 | 170.2 | 0 | 0 | 0 | 0 | 0 | 110.2 | K113 E114 A115 | A111-K113 VanDerWaalsContact C-N 3.26Å; A111-K113 PolarHBondContact O-N 3.12Å; A111-K113 VanDerWaalsContact O-N 3.1Å; A111-E114 HydrophobicContact CB-CB 4.31Å; A111-E114 WeakPolarHBondContact O-CA 3.34Å; A111-E114 WeakPolarHBondContact O-CB 3.25Å; A111-E114 PolarHBondContact O-N 3.08Å; A111-A115 PolarHBondContact O-N 3.24Å | ||
| 112 | P | 92.5 | Very high | 92.1 | Very high | 69 Ų | 69 | 53.3 Ų | 53.3 | 45% | 0.448 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -55.2 | -34.8 | -176.5 | -30.2 | 36.5 | 0 | 0 | 0 | 115.1 | R116 L207 | P112-R116 WeakPolarHBondContact O-CB 3.48Å; P112-R116 PolarHBondContact O-N 2.98Å; P112-L207 HydrophobicContact CB-CD2 4.31Å; P112-L207 HydrophobicContact CG-CD2 4.44Å |
| 113 | K | 91.2 | Very high | 92.3 | Very high | 143 Ų | 143 | 50.1 Ų | 50.1 | 62% | 0.622 | 24% | 0.239 | S | C | * | . | H | α-helix | trans | -69.9 | -31.8 | 174.8 | -59.3 | -158 | -177.8 | -155.4 | 0 | 113.2 | A111 R117 D270 | A111-K113 VanDerWaalsContact C-N 3.26Å; A111-K113 PolarHBondContact O-N 3.12Å; A111-K113 VanDerWaalsContact O-N 3.1Å; K113-R117 PolarHBondContact O-N 3.12Å; K113-D270 WeakPolarHBondContact CE-OD2 3.37Å; K113-D270 IonicContact NZ-OD2 2.64Å; K113-D270 PolarHBondContact NZ-OD2 3.43Å |
| 114 | E | 92.5 | Very high | 92.3 | Very high | 50 Ų | 50 | 50 Ų | 50 | 23% | 0.234 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -76.4 | -45.2 | 177.1 | -177.7 | 175.2 | -133.5 | 0 | 0 | 110.8 | Y103 K107 L110 A111 R116 R117 F118 | Y103-E114 PolarHBondContact OH-OE1 2.71Å; K107-E114 VanDerWaalsContact NZ-CD 3.28Å; K107-E114 IonicContact NZ-OE1 2.71Å; K107-E114 PolarHBondContact NZ-OE1 2.98Å; K107-E114 IonicContact NZ-OE2 3.03Å; K107-E114 PolarHBondContact NZ-OE2 2.96Å; L110-E114 HydrophobicContact CB-CB 4.46Å; L110-E114 HydrophobicContact CB-CG 4.35Å; L110-E114 HydrophobicContact CD1-CG 4.37Å; A111-E114 HydrophobicContact CB-CB 4.31Å; A111-E114 WeakPolarHBondContact O-CA 3.34Å; A111-E114 WeakPolarHBondContact O-CB 3.25Å; A111-E114 PolarHBondContact O-N 3.08Å; E114-R116 VanDerWaalsContact C-N 3.33Å; E114-R116 PolarHBondContact O-N 2.81Å; E114-R117 PolarHBondContact O-N 3.43Å; E114-F118 HydrophobicContact CG-CD2 4.35Å; E114-F118 HydrophobicContact CG-CE2 3.87Å; E114-F118 VanDerWaalsContact O-CD2 3.28Å; E114-F118 WeakPolarHBondContact O-CD2 3.33Å; E114-F118 PolarHBondContact O-N 3.3Å |
| 115 | A | 94.2 | Very high | 92.2 | Very high | 0 Ų | 0 | 50.1 Ų | 50.1 | 0% | 0 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -58.1 | -42.7 | 170.6 | 0 | 0 | 0 | 0 | 0 | 111.9 | L110 A111 R117 F118 F119 L206 L207 | L110-A115 HydrophobicContact CB-CB 4.25Å; A111-A115 PolarHBondContact O-N 3.24Å; A115-R117 PolarHBondContact O-N 3.32Å; A115-F118 PolarHBondContact O-N 3.28Å; A115-F119 VanDerWaalsContact O-CB 3.23Å; A115-F119 WeakPolarHBondContact O-CB 3.19Å; A115-F119 PolarHBondContact O-N 3.37Å; A115-L206 HydrophobicContact CB-CB 4.27Å; A115-L207 HydrophobicContact CB-CD2 3.57Å; A115-L207 HydrophobicContact CB-CG 4.06Å |
| 116 | R | 93.4 | Very high | 92.4 | Very high | 39 Ų | 39 | 45.4 Ų | 45.4 | 15% | 0.147 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -59.6 | -39 | 174.5 | -175.1 | -172.2 | -73.7 | 163.6 | -8.3 | 112.5 | P112 E114 K120 W266 D270 | P112-R116 WeakPolarHBondContact O-CB 3.48Å; P112-R116 PolarHBondContact O-N 2.98Å; E114-R116 VanDerWaalsContact C-N 3.33Å; E114-R116 PolarHBondContact O-N 2.81Å; R116-K120 WeakPolarHBondContact O-CB 3.38Å; R116-K120 PolarHBondContact O-N 2.74Å; R116-W266 HydrophobicContact CB-CH2 3.77Å; R116-W266 HydrophobicContact CB-CZ2 4.08Å; R116-W266 HydrophobicContact CB-CZ3 4.31Å; R116-W266 HydrophobicContact CG-CH2 4.36Å; R116-W266 HydrophobicContact CG-CZ3 4.44Å; R116-W266 PolarHBondContact NE-O 2.71Å; R116-W266 PolarHBondContact NH2-O 3.08Å; R116-D270 IonicContact CZ-OD1 3.98Å; R116-D270 IonicContact NH1-OD1 2.94Å; R116-D270 PolarHBondContact NH1-OD1 3.47Å |
| 117 | R | 91.7 | Very high | 92.3 | Very high | 112 Ų | 112 | 38.7 Ų | 38.7 | 42% | 0.423 | 19% | 0.191 | S | C | . | . | H | α-helix | trans | -60.7 | -54.6 | 175 | 177.5 | -177.1 | 168.9 | -161.2 | -5.4 | 110.9 | K113 E114 A115 F119 K120 Q121 Q149 L150 N151 | K113-R117 PolarHBondContact O-N 3.12Å; E114-R117 PolarHBondContact O-N 3.43Å; A115-R117 PolarHBondContact O-N 3.32Å; R117-F119 VanDerWaalsContact C-N 3.31Å; R117-F119 PolarHBondContact O-N 2.65Å; R117-K120 PolarHBondContact O-N 3.03Å; R117-Q121 WeakPolarHBondContact O-CG 3.46Å; R117-Q121 PolarHBondContact O-N 3.38Å; R117-Q149 PolarHBondContact NH2-O 2.97Å; R117-L150 PolarHBondContact NH2-O 2.89Å; R117-N151 PolarHBondContact NH2-OD1 2.92Å |
| 118 | F | 93.9 | Very high | 92.2 | Very high | 4 Ų | 4 | 36.1 Ų | 36.1 | 2% | 0.018 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -62.1 | -40.6 | 179.6 | -67 | -61.2 | 0 | 0 | 0 | 111.7 | L100 Y103 L110 E114 A115 Q121 I122 L146 L150 I152 L206 | L100-F118 HydrophobicContact CD1-CB 4.41Å; L100-F118 HydrophobicContact CD1-CD1 3.77Å; L100-F118 HydrophobicContact CD1-CD2 3.93Å; L100-F118 HydrophobicContact CD1-CE1 3.89Å; L100-F118 HydrophobicContact CD1-CE2 4.04Å; L100-F118 HydrophobicContact CD1-CG 3.78Å; L100-F118 HydrophobicContact CD1-CZ 4.02Å; Y103-F118 HydrophobicContact CD1-CE2 4.14Å; Y103-F118 HydrophobicContact CD1-CZ 4.17Å; Y103-F118 HydrophobicContact CE1-CE2 4.02Å; Y103-F118 HydrophobicContact CE1-CZ 4.14Å; L110-F118 HydrophobicContact CD1-CD2 3.58Å; L110-F118 HydrophobicContact CD1-CE2 3.73Å; E114-F118 HydrophobicContact CG-CD2 4.35Å; E114-F118 HydrophobicContact CG-CE2 3.87Å; E114-F118 VanDerWaalsContact O-CD2 3.28Å; E114-F118 WeakPolarHBondContact O-CD2 3.33Å; E114-F118 PolarHBondContact O-N 3.3Å; A115-F118 PolarHBondContact O-N 3.28Å; F118-Q121 PolarHBondContact O-N 3.03Å; F118-I122 WeakPolarHBondContact O-CG1 3.45Å; F118-I122 PolarHBondContact O-N 3.25Å; F118-L146 HydrophobicContact CD1-CD2 4.33Å; F118-L146 HydrophobicContact CE1-CD2 3.7Å; F118-L150 VanDerWaalsContact CE1-O 3.3Å; F118-L150 WeakPolarHBondContact CE1-O 3.23Å; F118-I152 HydrophobicContact CB-CD1 4.35Å; F118-I152 HydrophobicContact CB-CG1 4.4Å; F118-I152 HydrophobicContact CD1-CD1 3.67Å; F118-I152 HydrophobicContact CD1-CG1 3.96Å; F118-I152 HydrophobicContact CE1-CD1 4.41Å; F118-I152 HydrophobicContact CG-CD1 4.38Å; F118-L206 HydrophobicContact CB-CD1 4.45Å |
| 119 | F | 94.5 | Very high | 92.1 | Very high | 1 Ų | 1 | 35 Ų | 35 | 0% | 0.004 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -62.5 | -46 | 177.8 | -171.5 | -104.8 | 0 | 0 | 0 | 112.4 | A115 R117 Q121 I122 I123 C199 L203 L243 M247 V261 W266 V267 | A115-F119 VanDerWaalsContact O-CB 3.23Å; A115-F119 WeakPolarHBondContact O-CB 3.19Å; A115-F119 PolarHBondContact O-N 3.37Å; R117-F119 VanDerWaalsContact C-N 3.31Å; R117-F119 PolarHBondContact O-N 2.65Å; F119-Q121 PolarHBondContact O-N 3.39Å; F119-I122 PolarHBondContact O-N 2.7Å; F119-I122 VanDerWaalsContact O-N 3.11Å; F119-I123 HydrophobicContact CD1-CD1 4.02Å; F119-I123 HydrophobicContact CD1-CG2 4.17Å; F119-I123 HydrophobicContact CD2-CG2 4.37Å; F119-I123 HydrophobicContact CE1-CD1 3.9Å; F119-I123 HydrophobicContact CE1-CG2 3.69Å; F119-I123 HydrophobicContact CE2-CG2 3.92Å; F119-I123 HydrophobicContact CG-CG2 4.49Å; F119-I123 HydrophobicContact CZ-CG2 3.56Å; F119-I123 WeakPolarHBondContact O-CG1 3.23Å; F119-I123 PolarHBondContact O-N 2.58Å; F119-C199 HydrophobicContact CE2-CB 4.31Å; F119-L203 HydrophobicContact CB-CD1 4.14Å; F119-L203 HydrophobicContact CD1-CD2 4.46Å; F119-L203 HydrophobicContact CD2-CB 3.82Å; F119-L203 HydrophobicContact CD2-CD1 3.87Å; F119-L203 HydrophobicContact CD2-CD2 4.04Å; F119-L203 HydrophobicContact CD2-CG 4.11Å; F119-L203 HydrophobicContact CE1-CD2 4.26Å; F119-L203 HydrophobicContact CE2-CB 3.81Å; F119-L203 HydrophobicContact CE2-CD1 4.47Å; F119-L203 HydrophobicContact CE2-CD2 3.81Å; F119-L203 HydrophobicContact CE2-CG 4.23Å; F119-L203 HydrophobicContact CG-CD1 3.98Å; F119-L203 HydrophobicContact CG-CD2 4.35Å; F119-L203 HydrophobicContact CZ-CD2 3.93Å; F119-L243 HydrophobicContact CE1-CD2 4.24Å; F119-M247 HydrophobicContact CE2-CE 3.96Å; F119-M247 HydrophobicContact CE2-SD 4.33Å; F119-M247 HydrophobicContact CZ-CE 3.65Å; F119-M247 HydrophobicContact CZ-SD 3.77Å; F119-V261 HydrophobicContact CE1-CG1 3.76Å; F119-V261 HydrophobicContact CZ-CG1 3.8Å; F119-W266 HydrophobicContact CD1-CZ3 4.14Å; F119-V267 HydrophobicContact CD1-CG2 4.11Å; F119-V267 HydrophobicContact CE1-CG2 3.72Å |
| 120 | K | 92.3 | Very high | 91.9 | Very high | 41 Ų | 41 | 30.2 Ų | 30.2 | 18% | 0.178 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -53.7 | -37.8 | 174 | -85.7 | -158.3 | -179.1 | -170.3 | 0 | 112.3 | R116 R117 I123 S124 V267 I268 L275 | R116-K120 WeakPolarHBondContact O-CB 3.38Å; R116-K120 PolarHBondContact O-N 2.74Å; R117-K120 PolarHBondContact O-N 3.03Å; K120-I123 WeakPolarHBondContact O-CG1 3.25Å; K120-S124 WeakPolarHBondContact O-CB 3.28Å; K120-S124 PolarHBondContact O-N 2.76Å; K120-S124 VanDerWaalsContact O-N 3.11Å; K120-V267 WeakPolarHBondContact CE-O 3.16Å; K120-V267 HydrophobicContact CG-CG1 4.21Å; K120-V267 PolarHBondContact NZ-O 2.86Å; K120-I268 PolarHBondContact NZ-O 2.85Å; K120-L275 HydrophobicContact CB-CD1 3.96Å; K120-L275 HydrophobicContact CD-CD1 4.03Å; K120-L275 HydrophobicContact CD-CD2 4.45Å; K120-L275 HydrophobicContact CD-CG 4.17Å; K120-L275 HydrophobicContact CG-CD1 3.88Å |
| 121 | Q | 92.2 | Very high | 91.3 | Very high | 19 Ų | 19 | 30.5 Ų | 30.5 | 9% | 0.089 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -74.1 | -37.1 | 178.7 | -63.5 | -176.9 | -27.7 | 0 | 0 | 113 | H74 R117 F118 F119 A125 N151 I152 | H74-Q121 HydrophobicContact CB-CB 4.47Å; H74-Q121 VanDerWaalsContact CE1-CD 3.48Å; H74-Q121 PolarHBondContact CE1-NE2 3.19Å; H74-Q121 VanDerWaalsContact CE1-NE2 3.33Å; H74-Q121 WeakPolarHBondContact NE2-CG 3.43Å; R117-Q121 WeakPolarHBondContact O-CG 3.46Å; R117-Q121 PolarHBondContact O-N 3.38Å; F118-Q121 PolarHBondContact O-N 3.03Å; F119-Q121 PolarHBondContact O-N 3.39Å; Q121-A125 PolarHBondContact O-N 3.09Å; Q121-A125 VanDerWaalsContact O-N 3.09Å; Q121-N151 PolarHBondContact NE2-OD1 2.79Å; Q121-N151 VanDerWaalsContact OE1-CA 3.24Å; Q121-I152 HydrophobicContact CB-CB 4.02Å; Q121-I152 HydrophobicContact CB-CG1 4.02Å |
| 122 | I | 93.7 | Very high | 90.7 | Very high | 1 Ų | 1 | 29 Ų | 29 | 1% | 0.005 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -66.5 | -48.5 | 176 | -65.8 | 162.5 | 0 | 0 | 0 | 110.7 | L100 F118 F119 A125 L126 L144 I152 I202 | L100-I122 HydrophobicContact CD2-CD1 4.3Å; F118-I122 WeakPolarHBondContact O-CG1 3.45Å; F118-I122 PolarHBondContact O-N 3.25Å; F119-I122 PolarHBondContact O-N 2.7Å; F119-I122 VanDerWaalsContact O-N 3.11Å; I122-A125 PolarHBondContact O-N 2.92Å; I122-L126 HydrophobicContact CG2-CD1 3.9Å; I122-L126 WeakPolarHBondContact O-CG 3.47Å; I122-L126 PolarHBondContact O-N 2.88Å; I122-L126 VanDerWaalsContact O-N 3.09Å; I122-L144 HydrophobicContact CD1-CD1 3.87Å; I122-L144 HydrophobicContact CD1-CD2 4.37Å; I122-L144 HydrophobicContact CG1-CD2 4.14Å; I122-I152 HydrophobicContact CG1-CG1 4.09Å; I122-I152 HydrophobicContact CG1-CG2 4.08Å; I122-I202 HydrophobicContact CD1-CG2 4.16Å |
| 123 | I | 93.3 | Very high | 90 | Very high | 0 Ų | 0 | 26.7 Ų | 26.7 | 0% | 0 | 12% | 0.122 | C | C | . | . | H | α-helix | trans | -67.5 | -36.9 | -179.7 | 64.5 | -174 | 0 | 0 | 0 | 111.9 | F119 K120 L126 D127 L258 V261 L262 V267 L275 | F119-I123 HydrophobicContact CD1-CD1 4.02Å; F119-I123 HydrophobicContact CD1-CG2 4.17Å; F119-I123 HydrophobicContact CD2-CG2 4.37Å; F119-I123 HydrophobicContact CE1-CD1 3.9Å; F119-I123 HydrophobicContact CE1-CG2 3.69Å; F119-I123 HydrophobicContact CE2-CG2 3.92Å; F119-I123 HydrophobicContact CG-CG2 4.49Å; F119-I123 HydrophobicContact CZ-CG2 3.56Å; F119-I123 WeakPolarHBondContact O-CG1 3.23Å; F119-I123 PolarHBondContact O-N 2.58Å; K120-I123 WeakPolarHBondContact O-CG1 3.25Å; I123-L126 PolarHBondContact O-N 3.03Å; I123-D127 WeakPolarHBondContact O-CB 3.47Å; I123-D127 PolarHBondContact O-N 2.7Å; I123-L258 HydrophobicContact CB-CD1 3.94Å; I123-L258 HydrophobicContact CG2-CD1 4Å; I123-V261 HydrophobicContact CD1-CG1 4.33Å; I123-V261 HydrophobicContact CG2-CG1 4.13Å; I123-L262 HydrophobicContact CB-CD2 4.36Å; I123-L262 HydrophobicContact CD1-CD2 3.54Å; I123-L262 HydrophobicContact CD1-CG 4.22Å; I123-L262 HydrophobicContact CG1-CD2 3.68Å; I123-L262 HydrophobicContact CG1-CG 4.5Å; I123-V267 HydrophobicContact CD1-CG1 3.55Å; I123-L275 HydrophobicContact CD1-CD1 4.25Å; I123-L275 HydrophobicContact CG1-CD1 4.21Å |
| 124 | S | 90.5 | Very high | 89.7 | Confident | 28 Ų | 28 | 19.9 Ų | 19.9 | 20% | 0.196 | 9% | 0.093 | C | C | . | . | H | α-helix | trans | -61.6 | -42 | 172.5 | 155.8 | 0 | 0 | 0 | 0 | 112.2 | H72 K120 L126 F128 | H72-S124 PolarHBondContact CE1-OG 2.75Å; H72-S124 PolarHBondContact NE2-OG 2.72Å; H72-S124 VanDerWaalsContact NE2-OG 3.15Å; K120-S124 WeakPolarHBondContact O-CB 3.28Å; K120-S124 PolarHBondContact O-N 2.76Å; K120-S124 VanDerWaalsContact O-N 3.11Å; S124-L126 VanDerWaalsContact C-N 3.31Å; S124-L126 PolarHBondContact O-N 3.17Å; S124-F128 PolarHBondContact O-N 3.11Å |
| 125 | A | 91.7 | Very high | 89.3 | Confident | 1 Ų | 1 | 17.6 Ų | 17.6 | 1% | 0.008 | 8% | 0.082 | C | C | . | . | H | α-helix | trans | -63.4 | -36.3 | 175 | 0 | 0 | 0 | 0 | 0 | 112.9 | H72 H74 V75 Q121 I122 C129 V154 | H72-A125 VanDerWaalsContact CE1-CA 3.49Å; H72-A125 WeakPolarHBondContact CE1-CA 3.36Å; H74-A125 HydrophobicContact CB-CB 3.91Å; V75-A125 HydrophobicContact CG2-CB 4.17Å; Q121-A125 PolarHBondContact O-N 3.09Å; Q121-A125 VanDerWaalsContact O-N 3.09Å; I122-A125 PolarHBondContact O-N 2.92Å; A125-C129 PolarHBondContact O-N 2.83Å; A125-C129 VanDerWaalsContact O-N 3.16Å; A125-C129 PolarHBondContact O-SG 3.42Å; A125-V154 HydrophobicContact CB-CG2 3.82Å |
| 126 | L | 92.2 | Very high | 88.9 | Confident | 1 Ų | 1 | 17.6 Ų | 17.6 | 1% | 0.005 | 8% | 0.082 | C | C | . | . | H | α-helix | trans | -82 | -32.2 | -179.1 | -69.6 | 164.4 | 0 | 0 | 0 | 113 | I122 I123 S124 F128 C129 H130 H136 L139 C199 L258 | I122-L126 HydrophobicContact CG2-CD1 3.9Å; I122-L126 WeakPolarHBondContact O-CG 3.47Å; I122-L126 PolarHBondContact O-N 2.88Å; I122-L126 VanDerWaalsContact O-N 3.09Å; I123-L126 PolarHBondContact O-N 3.03Å; S124-L126 VanDerWaalsContact C-N 3.31Å; S124-L126 PolarHBondContact O-N 3.17Å; L126-F128 VanDerWaalsContact C-N 3.34Å; L126-C129 PolarHBondContact O-N 3.13Å; L126-H130 VanDerWaalsContact O-CB 3.3Å; L126-H130 WeakPolarHBondContact O-CB 3.49Å; L126-H130 PolarHBondContact O-CD2 2.76Å; L126-H130 VanDerWaalsContact O-CD2 3.31Å; L126-H130 PolarHBondContact O-N 2.97Å; L126-H136 HydrophobicContact CD2-CB 4.24Å; L126-L139 HydrophobicContact CD1-CD2 3.75Å; L126-C199 WeakPolarHBondContact CD1-SG 3.49Å; L126-L258 HydrophobicContact CB-CD2 3.77Å |
| 127 | D | 89.9 | Confident | 88.5 | Confident | 17 Ų | 17 | 18 Ų | 18 | 9% | 0.091 | 8% | 0.084 | C | C | . | . | H | α-helix | trans | -62.7 | -46 | 174 | -165.3 | 64 | 0 | 0 | 0 | 109.5 | I123 C129 H130 S131 L258 L262 E278 | I123-D127 WeakPolarHBondContact O-CB 3.47Å; I123-D127 PolarHBondContact O-N 2.7Å; D127-C129 PolarHBondContact O-N 3.38Å; D127-H130 PolarHBondContact O-N 3.49Å; D127-S131 VanDerWaalsContact O-CB 3.31Å; D127-S131 WeakPolarHBondContact O-CB 3.37Å; D127-S131 PolarHBondContact O-N 2.91Å; D127-S131 PolarHBondContact O-OG 3.21Å; D127-L258 HydrophobicContact CB-CD2 4.13Å; D127-L262 HydrophobicContact CB-CD1 3.95Å; D127-L262 WeakPolarHBondContact OD1-CD1 3.48Å; D127-E278 PolarHBondContact OD2-N 2.93Å |
| 128 | F | 87.6 | Confident | 88 | Confident | 22 Ų | 22 | 14 Ų | 14 | 10% | 0.096 | 7% | 0.071 | C | C | . | . | H | α-helix | trans | -59 | -42.5 | 170.8 | -172.3 | -82.7 | 0 | 0 | 0 | 112.8 | I70 E71 H72 S124 L126 S131 H132 E278 | I70-F128 HydrophobicContact CB-CD1 4.45Å; I70-F128 HydrophobicContact CB-CE1 3.84Å; I70-F128 HydrophobicContact CG2-CD1 4.41Å; I70-F128 HydrophobicContact CG2-CE1 3.92Å; E71-F128 WeakPolarHBondContact O-CZ 3.39Å; H72-F128 HydrophobicContact CB-CD1 3.81Å; H72-F128 HydrophobicContact CB-CD2 4.29Å; H72-F128 HydrophobicContact CB-CE1 4.03Å; H72-F128 HydrophobicContact CB-CE2 4.48Å; H72-F128 HydrophobicContact CB-CG 3.96Å; H72-F128 HydrophobicContact CB-CZ 4.36Å; H72-F128 AromaticContact CD2-CD2 3.62Å; H72-F128 AromaticContact CD2-CG 3.65Å; H72-F128 AromaticContact CG-CG 3.9Å; S124-F128 PolarHBondContact O-N 3.11Å; L126-F128 VanDerWaalsContact C-N 3.34Å; F128-S131 PolarHBondContact O-OG 2.64Å; F128-H132 AromaticContact CD1-ND1 3.94Å; F128-H132 AromaticContact CE1-CE1 3.6Å; F128-H132 AromaticContact CE1-ND1 3.77Å; F128-H132 AromaticContact CE2-CE1 3.63Å; F128-H132 AromaticContact CZ-CE1 3.33Å; F128-H132 WeakPolarHBondContact CZ-CE1 3.19Å; F128-H132 AromaticContact CZ-ND1 3.97Å; F128-H132 AromaticContact CZ-NE2 3.75Å; F128-H132 PolarHBondContact O-N 2.96Å; F128-H132 PolarHBondContact O-ND1 3.35Å; F128-E278 HydrophobicContact CB-CG 4.34Å; F128-E278 HydrophobicContact CD2-CG 4.01Å |
| 129 | C | 88.5 | Confident | 87.7 | Confident | 2 Ų | 2 | 13.9 Ų | 13.9 | 1% | 0.014 | 7% | 0.07 | C | C | . | . | H | α-helix | trans | -66.6 | -45.2 | 176.8 | -67.9 | 0 | 0 | 0 | 0 | 111.8 | A125 L126 D127 H132 C133 I134 | A125-C129 PolarHBondContact O-N 2.83Å; A125-C129 VanDerWaalsContact O-N 3.16Å; A125-C129 PolarHBondContact O-SG 3.42Å; L126-C129 PolarHBondContact O-N 3.13Å; D127-C129 PolarHBondContact O-N 3.38Å; C129-H132 CarbonylContact O-C 3.6Å; C129-H132 VanDerWaalsContact O-C 3.25Å; C129-H132 WeakPolarHBondContact O-CA 3.47Å; C129-H132 PolarHBondContact O-N 2.67Å; C129-H132 VanDerWaalsContact O-N 3.12Å; C129-C133 PolarHBondContact O-N 3.15Å; C129-I134 CarbonylContact C-O 3.56Å; C129-I134 HydrophobicContact CB-CB 4.28Å; C129-I134 HydrophobicContact CB-CG2 4.39Å; C129-I134 WeakPolarHBondContact CB-O 3.32Å; C129-I134 WeakPolarHBondContact O-CA 3.12Å; C129-I134 WeakPolarHBondContact O-CB 3.26Å; C129-I134 PolarHBondContact O-N 2.98Å; C129-I134 VanDerWaalsContact O-O 3.13Å |
| 130 | H | 87.8 | Confident | 87.1 | Confident | 25 Ų | 25 | 15 Ų | 15 | 12% | 0.116 | 8% | 0.075 | C | C | . | . | H | α-helix | trans | -68.4 | -36.1 | -178.6 | -70.1 | -170.8 | 0 | 0 | 0 | 111.5 | L126 D127 H132 C133 I134 R192 D195 | L126-H130 VanDerWaalsContact O-CB 3.3Å; L126-H130 WeakPolarHBondContact O-CB 3.49Å; L126-H130 PolarHBondContact O-CD2 2.76Å; L126-H130 VanDerWaalsContact O-CD2 3.31Å; L126-H130 PolarHBondContact O-N 2.97Å; D127-H130 PolarHBondContact O-N 3.49Å; H130-H132 PolarHBondContact O-N 2.74Å; H130-C133 WeakPolarHBondContact O-CA 3.08Å; H130-C133 PolarHBondContact O-N 2.97Å; H130-I134 PolarHBondContact CD2-O 2.81Å; H130-R192 VanDerWaalsContact CE1-CA 3.45Å; H130-R192 WeakPolarHBondContact CE1-CA 3.26Å; H130-D195 IonicContact CD2-OD2 2.64Å; H130-D195 IonicContact CE1-OD2 3.82Å; H130-D195 IonicContact NE2-OD2 3.1Å; H130-D195 PolarHBondContact NE2-OD2 3.43Å |
| 131 | S | 81.9 | Confident | 86.7 | Confident | 12 Ų | 12 | 14 Ų | 14 | 8% | 0.084 | 7% | 0.073 | C | C | . | . | H | α-helix | trans | -64.5 | -30.4 | 171.8 | 78.4 | 0 | 0 | 0 | 0 | 111.8 | D127 F128 C133 M281 | D127-S131 VanDerWaalsContact O-CB 3.31Å; D127-S131 WeakPolarHBondContact O-CB 3.37Å; D127-S131 PolarHBondContact O-N 2.91Å; D127-S131 PolarHBondContact O-OG 3.21Å; F128-S131 PolarHBondContact O-OG 2.64Å; S131-C133 VanDerWaalsContact C-N 3.27Å; S131-C133 PolarHBondContact O-N 3.43Å; S131-M281 VanDerWaalsContact O-CG 3.29Å; S131-M281 WeakPolarHBondContact O-CG 3.31Å; S131-M281 PolarHBondContact O-N 3.25Å |
| 132 | H | 78.7 | Confident | 86 | Confident | 23 Ų | 23 | 14.7 Ų | 14.7 | 11% | 0.106 | 8% | 0.076 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -86.8 | 19 | 169.3 | -68.5 | 69.2 | 0 | 0 | 0 | 113.6 | I70 F128 C129 H130 I134 L162 M281 | I70-H132 HydrophobicContact CG2-CB 4.28Å; F128-H132 AromaticContact CD1-ND1 3.94Å; F128-H132 AromaticContact CE1-CE1 3.6Å; F128-H132 AromaticContact CE1-ND1 3.77Å; F128-H132 AromaticContact CE2-CE1 3.63Å; F128-H132 AromaticContact CZ-CE1 3.33Å; F128-H132 WeakPolarHBondContact CZ-CE1 3.19Å; F128-H132 AromaticContact CZ-ND1 3.97Å; F128-H132 AromaticContact CZ-NE2 3.75Å; F128-H132 PolarHBondContact O-N 2.96Å; F128-H132 PolarHBondContact O-ND1 3.35Å; C129-H132 CarbonylContact O-C 3.6Å; C129-H132 VanDerWaalsContact O-C 3.25Å; C129-H132 WeakPolarHBondContact O-CA 3.47Å; C129-H132 PolarHBondContact O-N 2.67Å; C129-H132 VanDerWaalsContact O-N 3.12Å; H130-H132 PolarHBondContact O-N 2.74Å; H132-I134 HydrophobicContact CB-CD1 4.21Å; H132-I134 PolarHBondContact O-N 2.84Å; H132-L162 WeakPolarHBondContact O-CD2 3.23Å; H132-M281 HydrophobicContact CB-CE 3.84Å; H132-M281 WeakPolarHBondContact O-CE 3.23Å |
| 133 | C | 78.9 | Confident | 85.7 | Confident | 20 Ų | 20 | 14.7 Ų | 14.7 | 14% | 0.135 | 8% | 0.076 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 57.4 | 11.7 | -178.4 | -57.3 | 0 | 0 | 0 | 0 | 115.6 | C129 H130 S131 L162 Q163 | C129-C133 PolarHBondContact O-N 3.15Å; H130-C133 WeakPolarHBondContact O-CA 3.08Å; H130-C133 PolarHBondContact O-N 2.97Å; S131-C133 VanDerWaalsContact C-N 3.27Å; S131-C133 PolarHBondContact O-N 3.43Å; C133-L162 HydrophobicContact CB-CD2 4.02Å; C133-L162 CarbonylContact O-C 3.48Å; C133-L162 WeakPolarHBondContact O-CA 3.38Å; C133-Q163 PolarHBondContact O-N 3.27Å |
| 134 | I | 83.8 | Confident | 85.7 | Confident | 0 Ų | 0 | 14.7 Ų | 14.7 | 0% | 0 | 8% | 0.076 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94 | 118.9 | -179.3 | -67.2 | 157 | 0 | 0 | 0 | 110.1 | I66 L69 I70 C129 H130 H132 F157 A160 S161 L162 | I66-I134 HydrophobicContact CG2-CD1 3.9Å; I66-I134 HydrophobicContact CG2-CG1 4.36Å; I66-I134 HydrophobicContact CG2-CG2 3.98Å; L69-I134 HydrophobicContact CD2-CD1 3.88Å; I70-I134 HydrophobicContact CD1-CD1 4.48Å; I70-I134 HydrophobicContact CG2-CD1 3.42Å; I70-I134 VanDerWaalsContact CG2-CD1 3.42Å; C129-I134 CarbonylContact C-O 3.56Å; C129-I134 HydrophobicContact CB-CB 4.28Å; C129-I134 HydrophobicContact CB-CG2 4.39Å; C129-I134 WeakPolarHBondContact CB-O 3.32Å; C129-I134 WeakPolarHBondContact O-CA 3.12Å; C129-I134 WeakPolarHBondContact O-CB 3.26Å; C129-I134 PolarHBondContact O-N 2.98Å; C129-I134 VanDerWaalsContact O-O 3.13Å; H130-I134 PolarHBondContact CD2-O 2.81Å; H132-I134 HydrophobicContact CB-CD1 4.21Å; H132-I134 PolarHBondContact O-N 2.84Å; I134-F157 HydrophobicContact CG2-CD1 4.23Å; I134-F157 HydrophobicContact CG2-CE1 4.38Å; I134-A160 HydrophobicContact CG2-CB 4.23Å; I134-S161 WeakPolarHBondContact CA-O 3.45Å; I134-L162 HydrophobicContact CG1-CD2 3.73Å |
| 135 | C | 85.6 | Confident | 85.8 | Confident | 1 Ų | 1 | 15.1 Ų | 15.1 | 1% | 0.007 | 8% | 0.076 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.4 | 141 | 168.7 | -56.7 | 0 | 0 | 0 | 0 | 110.3 | R137 A160 S161 Q163 R192 D195 | C135-R137 HydrophobicContact CB-CG 3.77Å; C135-A160 CarbonylContact O-C 3.53Å; C135-A160 WeakPolarHBondContact O-CA 3.5Å; C135-A160 VanDerWaalsContact O-CB 3.24Å; C135-A160 WeakPolarHBondContact O-CB 3.24Å; C135-S161 PolarHBondContact N-O 3.23Å; C135-S161 PolarHBondContact O-N 3.08Å; C135-Q163 PolarHBondContact SG-OE1 2.88Å; C135-R192 WeakPolarHBondContact SG-CG 3.5Å; C135-R192 PolarHBondContact SG-N 3.13Å; C135-D195 WeakPolarHBondContact CA-OD2 3.16Å |
| 136 | H | 85.7 | Confident | 85.8 | Confident | 1 Ų | 1 | 15 Ų | 15 | 1% | 0.005 | 8% | 0.075 | C | C | . | . | trans | -76.4 | -48.3 | -178.3 | -166.4 | -52.8 | 0 | 0 | 0 | 111.7 | L126 D138 N143 A155 D156 M159 A160 D195 | L126-H136 HydrophobicContact CD2-CB 4.24Å; H136-D138 PolarHBondContact O-N 2.96Å; H136-D138 VanDerWaalsContact O-N 3.09Å; H136-N143 PolarHBondContact CE1-ND2 2.9Å; H136-N143 PolarHBondContact NE2-ND2 3.24Å; H136-A155 PolarHBondContact NE2-O 2.67Å; H136-D156 PolarHBondContact CE1-O 3.1Å; H136-D156 VanDerWaalsContact CE1-O 3.26Å; H136-M159 CarbonylContact O-C 3.57Å; H136-A160 WeakPolarHBondContact O-CA 3.47Å; H136-A160 PolarHBondContact O-N 3.08Å; H136-D195 PolarHBondContact N-OD2 3.25Å | ||
| 137 | R | 84 | Confident | 85.8 | Confident | 47 Ų | 47 | 15.8 Ų | 15.8 | 18% | 0.177 | 8% | 0.079 | C | C | . | . | S | Bend | trans | 68.1 | -10.4 | 172.7 | -43.8 | -174.8 | -55.4 | 156.5 | -0.2 | 117.3 | C135 M159 L169 T171 D195 | C135-R137 HydrophobicContact CB-CG 3.77Å; R137-M159 VanDerWaalsContact CZ-O 3.23Å; R137-M159 PolarHBondContact NE-O 3.49Å; R137-M159 PolarHBondContact NH2-O 2.81Å; R137-L169 VanDerWaalsContact CD-CD1 3.46Å; R137-T171 PolarHBondContact NH1-OG1 3.38Å; R137-T171 VanDerWaalsContact NH1-OG1 3.12Å; R137-D195 PolarHBondContact N-OD1 3.36Å |
| 138 | D | 82.1 | Confident | 85.8 | Confident | 29 Ų | 29 | 20.3 Ų | 20.3 | 16% | 0.155 | 10% | 0.103 | C | C | . | . | trans | -135 | 45.2 | 170.1 | -169 | 38.7 | 0 | 0 | 0 | 110.5 | H136 K140 N143 M159 | H136-D138 PolarHBondContact O-N 2.96Å; H136-D138 VanDerWaalsContact O-N 3.09Å; D138-K140 WeakPolarHBondContact O-CD 3.46Å; D138-K140 WeakPolarHBondContact O-CE 3.4Å; D138-K140 VanDerWaalsContact O-CG 3.29Å; D138-K140 WeakPolarHBondContact O-CG 3.45Å; D138-K140 PolarHBondContact O-N 3Å; D138-K140 WeakPolarHBondContact OD2-CE 3.42Å; D138-K140 IonicContact OD2-NZ 2.96Å; D138-K140 PolarHBondContact OD2-NZ 2.95Å; D138-N143 PolarHBondContact O-ND2 3.22Å; D138-M159 HydrophobicContact CB-CB 3.9Å; D138-M159 HydrophobicContact CB-CG 4.04Å | ||
| 139 | L | 86.9 | Confident | 85.9 | Confident | 1 Ų | 1 | 25.1 Ų | 25.1 | 1% | 0.005 | 13% | 0.126 | C | C | . | . | trans | -71.5 | 117.9 | -179 | -171.5 | 76.4 | 0 | 0 | 0 | 111.4 | L126 L144 V154 C199 I202 | L126-L139 HydrophobicContact CD1-CD2 3.75Å; L139-L144 HydrophobicContact CD1-CD2 4.37Å; L139-V154 HydrophobicContact CD1-CG1 4.22Å; L139-C199 WeakPolarHBondContact CD2-SG 3.15Å; L139-I202 HydrophobicContact CD2-CD1 3.84Å; L139-I202 HydrophobicContact CG-CD1 3.84Å | ||
| 140 | K | 82.8 | Confident | 86 | Confident | 24 Ų | 24 | 27.8 Ų | 27.8 | 10% | 0.104 | 14% | 0.14 | C | C | . | . | trans | -156 | 166.9 | -166.2 | 62.8 | -170.8 | 165.9 | 172.5 | 0 | 111.2 | D138 E142 N143 Y178 | D138-K140 WeakPolarHBondContact O-CD 3.46Å; D138-K140 WeakPolarHBondContact O-CE 3.4Å; D138-K140 VanDerWaalsContact O-CG 3.29Å; D138-K140 WeakPolarHBondContact O-CG 3.45Å; D138-K140 PolarHBondContact O-N 3Å; D138-K140 WeakPolarHBondContact OD2-CE 3.42Å; D138-K140 IonicContact OD2-NZ 2.96Å; D138-K140 PolarHBondContact OD2-NZ 2.95Å; K140-E142 VanDerWaalsContact C-N 3.34Å; K140-E142 HydrophobicContact CD-CG 3.68Å; K140-E142 WeakPolarHBondContact CE-OE1 3.49Å; K140-E142 HydrophobicContact CG-CG 3.66Å; K140-E142 IonicContact NZ-OE1 3.21Å; K140-E142 PolarHBondContact NZ-OE1 3.22Å; K140-E142 PolarHBondContact O-N 2.91Å; K140-N143 WeakPolarHBondContact CE-OD1 3.48Å; K140-N143 VanDerWaalsContact CG-OD1 3.24Å; K140-N143 WeakPolarHBondContact CG-OD1 3.37Å; K140-N143 WeakPolarHBondContact O-CB 3.44Å; K140-N143 PolarHBondContact O-N 3.33Å; K140-N143 VanDerWaalsContact O-N 3.08Å; K140-Y178 HydrophobicContact CB-CD2 4.21Å | ||
| 141 | P | 82.3 | Confident | 86.2 | Confident | 20 Ų | 20 | 28.2 Ų | 28.2 | 13% | 0.13 | 14% | 0.143 | C | C | . | . | G | 310 helix | trans | -48.9 | -44.7 | -176.3 | -35.1 | 39.2 | 0 | 0 | 0 | 116.7 | F101 N143 L144 Y178 | F101-P141 HydrophobicContact CB-CB 3.97Å; F101-P141 HydrophobicContact CD1-CB 4.02Å; F101-P141 HydrophobicContact CD1-CG 3.88Å; F101-P141 HydrophobicContact CD2-CB 3.51Å; F101-P141 HydrophobicContact CD2-CG 3.86Å; F101-P141 HydrophobicContact CE1-CB 4.41Å; F101-P141 HydrophobicContact CE1-CG 3.83Å; F101-P141 HydrophobicContact CE2-CB 3.96Å; F101-P141 HydrophobicContact CE2-CG 3.81Å; F101-P141 HydrophobicContact CG-CB 3.55Å; F101-P141 HydrophobicContact CG-CG 3.9Å; F101-P141 HydrophobicContact CZ-CB 4.39Å; F101-P141 HydrophobicContact CZ-CG 3.8Å; P141-N143 PolarHBondContact O-N 3.08Å; P141-L144 PolarHBondContact O-N 3.28Å; P141-L144 VanDerWaalsContact O-N 3.12Å; P141-Y178 HydrophobicContact CG-CE1 4.07Å; P141-Y178 HydrophobicContact CG-CE2 4.08Å; P141-Y178 WeakPolarHBondContact CG-OH 3.32Å |
| 142 | E | 77.6 | Confident | 86.8 | Confident | 34 Ų | 34 | 27.7 Ų | 27.7 | 16% | 0.159 | 14% | 0.139 | C | C | . | . | G | 310 helix | trans | -66.5 | -18.6 | -176.4 | 49.1 | -174 | -133.1 | 0 | 0 | 113 | K140 S980 | K140-E142 VanDerWaalsContact C-N 3.34Å; K140-E142 HydrophobicContact CD-CG 3.68Å; K140-E142 WeakPolarHBondContact CE-OE1 3.49Å; K140-E142 HydrophobicContact CG-CG 3.66Å; K140-E142 IonicContact NZ-OE1 3.21Å; K140-E142 PolarHBondContact NZ-OE1 3.22Å; K140-E142 PolarHBondContact O-N 2.91Å; E142-S980 PolarHBondContact OE1-OG 3.41Å; E142-S980 WeakPolarHBondContact OE2-CB 3.33Å; E142-S980 PolarHBondContact OE2-OG 2.73Å |
| 143 | N | 87.9 | Confident | 87.5 | Confident | 1 Ų | 1 | 28.5 Ų | 28.5 | 1% | 0.005 | 14% | 0.142 | C | C | . | . | G | 310 helix | trans | -84.4 | -13.2 | 176.3 | -52.1 | 2 | 0 | 0 | 0 | 112.9 | H136 D138 K140 P141 L145 V154 A155 | H136-N143 PolarHBondContact CE1-ND2 2.9Å; H136-N143 PolarHBondContact NE2-ND2 3.24Å; D138-N143 PolarHBondContact O-ND2 3.22Å; K140-N143 WeakPolarHBondContact CE-OD1 3.48Å; K140-N143 VanDerWaalsContact CG-OD1 3.24Å; K140-N143 WeakPolarHBondContact CG-OD1 3.37Å; K140-N143 WeakPolarHBondContact O-CB 3.44Å; K140-N143 PolarHBondContact O-N 3.33Å; K140-N143 VanDerWaalsContact O-N 3.08Å; P141-N143 PolarHBondContact O-N 3.08Å; N143-L145 PolarHBondContact O-N 2.99Å; N143-V154 WeakPolarHBondContact O-CA 3.48Å; N143-A155 PolarHBondContact O-N 3.29Å |
| 144 | L | 92.5 | Very high | 88.1 | Confident | 0 Ų | 0 | 27.6 Ų | 27.6 | 0% | 0 | 14% | 0.136 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99 | 80.9 | -171.7 | -62.3 | -177.3 | 0 | 0 | 0 | 110 | L100 I122 L139 P141 I152 V154 I202 | L100-L144 HydrophobicContact CB-CB 3.89Å; L100-L144 WeakPolarHBondContact CB-O 3.25Å; L100-L144 HydrophobicContact CD2-CB 4.24Å; L100-L144 HydrophobicContact CD2-CD1 3.76Å; L100-L144 PolarHBondContact N-O 3.01Å; I122-L144 HydrophobicContact CD1-CD1 3.87Å; I122-L144 HydrophobicContact CD1-CD2 4.37Å; I122-L144 HydrophobicContact CG1-CD2 4.14Å; L139-L144 HydrophobicContact CD1-CD2 4.37Å; P141-L144 PolarHBondContact O-N 3.28Å; P141-L144 VanDerWaalsContact O-N 3.12Å; L144-I152 HydrophobicContact CD2-CG2 4.1Å; L144-V154 HydrophobicContact CD2-CG2 4.05Å; L144-I202 HydrophobicContact CD1-CD1 4.21Å; L144-I202 HydrophobicContact CD1-CG2 3.9Å |
| 145 | L | 93.1 | Very high | 88.3 | Confident | 36 Ų | 36 | 27.8 Ų | 27.8 | 19% | 0.188 | 14% | 0.137 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.8 | 156.9 | -179 | -51.7 | -179.1 | 0 | 0 | 0 | 111.2 | L76 V95 G98 E99 N143 I152 R153 A155 | L76-L145 HydrophobicContact CD2-CD1 4.31Å; V95-L145 HydrophobicContact CG2-CB 3.75Å; V95-L145 HydrophobicContact CG2-CD1 3.67Å; V95-L145 HydrophobicContact CG2-CG 4.33Å; G98-L145 CarbonylContact O-C 3.59Å; G98-L145 WeakPolarHBondContact O-CA 3.44Å; E99-L145 HydrophobicContact CG-CD2 4.1Å; N143-L145 PolarHBondContact O-N 2.99Å; L145-I152 CarbonylContact O-C 3.55Å; L145-I152 WeakPolarHBondContact O-CA 3.42Å; L145-R153 PolarHBondContact N-O 2.8Å; L145-R153 VanDerWaalsContact N-O 3.07Å; L145-R153 PolarHBondContact O-N 2.85Å; L145-A155 HydrophobicContact CD1-CB 3.83Å; L145-A155 HydrophobicContact CG-CB 4.18Å |
| 146 | L | 92.9 | Very high | 88 | Confident | 0 Ų | 0 | 30.7 Ų | 30.7 | 0% | 0 | 15% | 0.153 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.6 | 133.3 | 179.1 | -69.1 | 173.7 | 0 | 0 | 0 | 111.6 | G97 G98 L100 Y103 F118 L150 N151 I152 | G97-L146 WeakPolarHBondContact CA-O 3.38Å; G97-L146 PolarHBondContact N-O 3.17Å; G98-L146 PolarHBondContact O-N 3.45Å; L100-L146 HydrophobicContact CD1-CD2 4.36Å; Y103-L146 HydrophobicContact CG-CD1 4.49Å; F118-L146 HydrophobicContact CD1-CD2 4.33Å; F118-L146 HydrophobicContact CE1-CD2 3.7Å; L146-L150 HydrophobicContact CD1-CD2 4.22Å; L146-N151 WeakPolarHBondContact CA-O 3.32Å; L146-I152 HydrophobicContact CD2-CD1 3.94Å |
| 147 | D | 91.2 | Very high | 87.6 | Confident | 16 Ų | 16 | 30.7 Ų | 30.7 | 9% | 0.086 | 15% | 0.152 | C | C | . | . | trans | -76.2 | -173.7 | 167.6 | 71.5 | 12.8 | 0 | 0 | 0 | 112.5 | Q149 L150 N151 | D147-Q149 PolarHBondContact O-N 3.02Å; D147-Q149 VanDerWaalsContact OD1-C 3.26Å; D147-Q149 WeakPolarHBondContact OD1-CA 3.48Å; D147-Q149 WeakPolarHBondContact OD1-CB 3.3Å; D147-Q149 PolarHBondContact OD1-N 3.27Å; D147-L150 PolarHBondContact O-N 3.21Å; D147-L150 PolarHBondContact OD1-N 3.09Å; D147-N151 PolarHBondContact N-O 3.5Å; D147-N151 VanDerWaalsContact N-O 3.11Å; D147-N151 PolarHBondContact OD1-N 3.32Å; D147-N151 PolarHBondContact OD1-ND2 3.13Å; D147-N151 WeakPolarHBondContact OD2-CB 3.22Å; D147-N151 PolarHBondContact OD2-ND2 2.85Å | ||
| 148 | D | 89 | Confident | 86.4 | Confident | 112 Ų | 112 | 29 Ų | 29 | 60% | 0.599 | 15% | 0.15 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -73.3 | -16.5 | -179.2 | -66.6 | -8.5 | 0 | 0 | 0 | 112.6 | S96 | S96-D148 WeakPolarHBondContact CB-OD1 3.5Å; S96-D148 PolarHBondContact OG-OD1 3.4Å |
| 149 | Q | 89.8 | Confident | 85.2 | Confident | 124 Ų | 124 | 30.3 Ų | 30.3 | 58% | 0.579 | 16% | 0.156 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -100.3 | 4.9 | -178.9 | -63 | 79.1 | 6.4 | 0 | 0 | 112.4 | R117 D147 N151 | R117-Q149 PolarHBondContact NH2-O 2.97Å; D147-Q149 PolarHBondContact O-N 3.02Å; D147-Q149 VanDerWaalsContact OD1-C 3.26Å; D147-Q149 WeakPolarHBondContact OD1-CA 3.48Å; D147-Q149 WeakPolarHBondContact OD1-CB 3.3Å; D147-Q149 PolarHBondContact OD1-N 3.27Å; Q149-N151 WeakPolarHBondContact CB-ND2 3.36Å |
| 150 | L | 90.5 | Very high | 84 | Confident | 57 Ų | 57 | 30.3 Ų | 30.3 | 30% | 0.298 | 16% | 0.156 | S | C | . | . | S | Bend | trans | 57.6 | 45.2 | -174.4 | -53.1 | 176.1 | 0 | 0 | 0 | 112.9 | Y103 R117 F118 L146 D147 | Y103-L150 HydrophobicContact CE2-CD1 4.15Å; R117-L150 PolarHBondContact NH2-O 2.89Å; F118-L150 VanDerWaalsContact CE1-O 3.3Å; F118-L150 WeakPolarHBondContact CE1-O 3.23Å; L146-L150 HydrophobicContact CD1-CD2 4.22Å; D147-L150 PolarHBondContact O-N 3.21Å; D147-L150 PolarHBondContact OD1-N 3.09Å |
| 151 | N | 93.1 | Very high | 82.9 | Confident | 35 Ų | 35 | 29.6 Ų | 29.6 | 19% | 0.187 | 15% | 0.154 | C | C | . | . | trans | -98.8 | 151.6 | 162.8 | -48 | -63.9 | 0 | 0 | 0 | 111.3 | R117 Q121 L146 D147 Q149 | R117-N151 PolarHBondContact NH2-OD1 2.92Å; Q121-N151 PolarHBondContact NE2-OD1 2.79Å; Q121-N151 VanDerWaalsContact OE1-CA 3.24Å; L146-N151 WeakPolarHBondContact CA-O 3.32Å; D147-N151 PolarHBondContact N-O 3.5Å; D147-N151 VanDerWaalsContact N-O 3.11Å; D147-N151 PolarHBondContact OD1-N 3.32Å; D147-N151 PolarHBondContact OD1-ND2 3.13Å; D147-N151 WeakPolarHBondContact OD2-CB 3.22Å; D147-N151 PolarHBondContact OD2-ND2 2.85Å; Q149-N151 WeakPolarHBondContact CB-ND2 3.36Å | ||
| 152 | I | 93.5 | Very high | 81.7 | Confident | 0 Ų | 0 | 28.9 Ų | 28.9 | 0% | 0 | 15% | 0.149 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -69.5 | 137.1 | 173.7 | -57.2 | -62.4 | 0 | 0 | 0 | 110.8 | H74 L100 F118 Q121 I122 L144 L145 L146 V154 | H74-I152 WeakPolarHBondContact CA-O 3.47Å; H74-I152 PolarHBondContact ND1-O 3.24Å; L100-I152 HydrophobicContact CB-CD1 4.26Å; L100-I152 HydrophobicContact CD1-CD1 4Å; L100-I152 HydrophobicContact CD2-CD1 3.74Å; L100-I152 HydrophobicContact CG-CD1 4.21Å; F118-I152 HydrophobicContact CB-CD1 4.35Å; F118-I152 HydrophobicContact CB-CG1 4.4Å; F118-I152 HydrophobicContact CD1-CD1 3.67Å; F118-I152 HydrophobicContact CD1-CG1 3.96Å; F118-I152 HydrophobicContact CE1-CD1 4.41Å; F118-I152 HydrophobicContact CG-CD1 4.38Å; Q121-I152 HydrophobicContact CB-CB 4.02Å; Q121-I152 HydrophobicContact CB-CG1 4.02Å; I122-I152 HydrophobicContact CG1-CG1 4.09Å; I122-I152 HydrophobicContact CG1-CG2 4.08Å; L144-I152 HydrophobicContact CD2-CG2 4.1Å; L145-I152 CarbonylContact O-C 3.55Å; L145-I152 WeakPolarHBondContact O-CA 3.42Å; L146-I152 HydrophobicContact CD2-CD1 3.94Å; I152-V154 HydrophobicContact CG2-CG2 3.93Å |
| 153 | R | 93.5 | Very high | 81 | Confident | 41 Ų | 41 | 27.6 Ų | 27.6 | 16% | 0.155 | 14% | 0.143 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123 | 114.1 | 156.6 | -58.8 | -56.6 | -166.2 | 114.2 | 8.5 | 109 | P73 H74 V75 L76 E93 V95 L145 | P73-R153 VanDerWaalsContact O-CD 3.22Å; P73-R153 WeakPolarHBondContact O-CD 3.38Å; P73-R153 VanDerWaalsContact O-CZ 3.3Å; P73-R153 PolarHBondContact O-NE 3.24Å; H74-R153 WeakPolarHBondContact O-CA 3.29Å; V75-R153 PolarHBondContact O-NH1 2.67Å; V75-R153 VanDerWaalsContact O-NH1 3.11Å; L76-R153 HydrophobicContact CB-CB 4.43Å; L76-R153 HydrophobicContact CD1-CB 4.2Å; E93-R153 IonicContact OE1-CZ 2.95Å; E93-R153 IonicContact OE1-NE 3.29Å; E93-R153 IonicContact OE1-NH1 3.99Å; E93-R153 PolarHBondContact OE1-NH1 3.28Å; E93-R153 IonicContact OE1-NH2 3.85Å; E93-R153 PolarHBondContact OE1-NH2 2.86Å; E93-R153 IonicContact OE2-CZ 3.71Å; E93-R153 VanDerWaalsContact OE2-CZ 3.28Å; E93-R153 IonicContact OE2-NH1 3.16Å; E93-R153 PolarHBondContact OE2-NH1 3.25Å; E93-R153 IonicContact OE2-NH2 3.95Å; V95-R153 HydrophobicContact CG1-CB 4.22Å; V95-R153 HydrophobicContact CG1-CG 3.78Å; L145-R153 PolarHBondContact N-O 2.8Å; L145-R153 VanDerWaalsContact N-O 3.07Å; L145-R153 PolarHBondContact O-N 2.85Å |
| 154 | V | 92.7 | Very high | 79.7 | Confident | 1 Ų | 1 | 29.3 Ų | 29.3 | 1% | 0.006 | 15% | 0.154 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -75.6 | 130 | 176.8 | -178.4 | 0 | 0 | 0 | 0 | 109.8 | H74 L76 A125 L139 N143 L144 I152 F157 | H74-V154 PolarHBondContact O-N 2.84Å; L76-V154 WeakPolarHBondContact CB-O 3.22Å; L76-V154 PolarHBondContact N-O 2.8Å; A125-V154 HydrophobicContact CB-CG2 3.82Å; L139-V154 HydrophobicContact CD1-CG1 4.22Å; N143-V154 WeakPolarHBondContact O-CA 3.48Å; L144-V154 HydrophobicContact CD2-CG2 4.05Å; I152-V154 HydrophobicContact CG2-CG2 3.93Å; V154-F157 HydrophobicContact CG1-CE2 4.44Å; V154-F157 HydrophobicContact CG1-CZ 4.23Å |
| 155 | A | 87.8 | Confident | 78.1 | Confident | 4 Ų | 4 | 37.2 Ų | 37.2 | 3% | 0.033 | 19% | 0.191 | C | C | . | . | trans | -124.4 | 178.4 | -173.8 | 0 | 0 | 0 | 0 | 0 | 113.6 | L76 H136 N143 L145 | L76-A155 HydrophobicContact CB-CB 4.27Å; L76-A155 HydrophobicContact CD2-CB 3.95Å; H136-A155 PolarHBondContact NE2-O 2.67Å; N143-A155 PolarHBondContact O-N 3.29Å; L145-A155 HydrophobicContact CD1-CB 3.83Å; L145-A155 HydrophobicContact CG-CB 4.18Å | ||
| 156 | D | 79.3 | Confident | 76.1 | Confident | 62 Ų | 62 | 39.3 Ų | 39.3 | 33% | 0.332 | 22% | 0.221 | S | C | . | . | trans | 51.1 | 65.5 | 174.1 | -77.7 | -32.1 | 0 | 0 | 0 | 115.6 | K45 H136 G158 | K45-D156 IonicContact NZ-OD1 2.72Å; K45-D156 PolarHBondContact NZ-OD1 3.38Å; H136-D156 PolarHBondContact CE1-O 3.1Å; H136-D156 VanDerWaalsContact CE1-O 3.26Å; D156-G158 PolarHBondContact O-N 2.91Å | ||
| 157 | F | 77.9 | Confident | 74.1 | Confident | 0 Ų | 0 | 41.3 Ų | 41.3 | 0% | 0 | 24% | 0.235 | C | C | . | . | G | 310 helix | trans | -71.3 | 13.9 | 171.2 | -69.6 | -96.9 | 0 | 0 | 0 | 114 | E63 I66 M67 I70 V75 I134 V154 M159 A160 | E63-F157 HydrophobicContact CG-CB 4.41Å; I66-F157 HydrophobicContact CG2-CB 4.04Å; I66-F157 HydrophobicContact CG2-CD1 3.92Å; I66-F157 HydrophobicContact CG2-CG 4.13Å; M67-F157 HydrophobicContact CG-CD2 4.37Å; I70-F157 HydrophobicContact CD1-CD1 4.26Å; I70-F157 HydrophobicContact CD1-CE1 3.74Å; I70-F157 HydrophobicContact CD1-CE2 4.28Å; I70-F157 HydrophobicContact CD1-CZ 3.76Å; V75-F157 HydrophobicContact CG1-CE2 3.8Å; V75-F157 HydrophobicContact CG1-CZ 3.98Å; V75-F157 HydrophobicContact CG2-CZ 4.36Å; I134-F157 HydrophobicContact CG2-CD1 4.23Å; I134-F157 HydrophobicContact CG2-CE1 4.38Å; V154-F157 HydrophobicContact CG1-CE2 4.44Å; V154-F157 HydrophobicContact CG1-CZ 4.23Å; F157-M159 PolarHBondContact O-N 3.2Å; F157-A160 HydrophobicContact CB-CB 3.92Å; F157-A160 HydrophobicContact CD1-CB 3.91Å; F157-A160 HydrophobicContact CG-CB 4.41Å; F157-A160 WeakPolarHBondContact O-CB 3.35Å; F157-A160 PolarHBondContact O-N 3.3Å |
| 158 | G | 58.7 | Low | 72.5 | Confident | 12 Ų | 12 | 45.2 Ų | 45.2 | 12% | 0.124 | 26% | 0.256 | C | S | . | . | G | 310 helix | trans | -64 | -22.4 | -176.6 | 0 | 0 | 0 | 0 | 0 | 114.7 | D156 | D156-G158 PolarHBondContact O-N 2.91Š|
| 159 | M | 56.7 | Low | 70.8 | Confident | 57 Ų | 57 | 41 Ų | 41 | 28% | 0.281 | 23% | 0.233 | S | C | . | . | G | 310 helix | trans | -98.9 | 0.1 | 170.2 | -66.6 | -58.1 | 96.1 | 0 | 0 | 113.6 | K59 H136 R137 D138 F157 | K59-M159 HydrophobicContact CD-CE 3.7Å; K59-M159 HydrophobicContact CG-CE 4.45Å; H136-M159 CarbonylContact O-C 3.57Å; R137-M159 VanDerWaalsContact CZ-O 3.23Å; R137-M159 PolarHBondContact NE-O 3.49Å; R137-M159 PolarHBondContact NH2-O 2.81Å; D138-M159 HydrophobicContact CB-CB 3.9Å; D138-M159 HydrophobicContact CB-CG 4.04Å; F157-M159 PolarHBondContact O-N 3.2Å |
| 160 | A | 61.7 | Low | 69 | Low | 0 Ų | 0 | 41.3 Ų | 41.3 | 0% | 0 | 23% | 0.234 | C | C | . | . | trans | -66.3 | 165.8 | -177.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | R62 I66 I134 C135 H136 F157 | R62-A160 WeakPolarHBondContact CD-O 3.42Å; R62-A160 PolarHBondContact NH1-O 2.94Å; I66-A160 HydrophobicContact CD1-CB 3.72Å; I134-A160 HydrophobicContact CG2-CB 4.23Å; C135-A160 CarbonylContact O-C 3.53Å; C135-A160 WeakPolarHBondContact O-CA 3.5Å; C135-A160 VanDerWaalsContact O-CB 3.24Å; C135-A160 WeakPolarHBondContact O-CB 3.24Å; H136-A160 WeakPolarHBondContact O-CA 3.47Å; H136-A160 PolarHBondContact O-N 3.08Å; F157-A160 HydrophobicContact CB-CB 3.92Å; F157-A160 HydrophobicContact CD1-CB 3.91Å; F157-A160 HydrophobicContact CG-CB 4.41Å; F157-A160 WeakPolarHBondContact O-CB 3.35Å; F157-A160 PolarHBondContact O-N 3.3Å | ||
| 161 | S | 59.9 | Low | 67.6 | Low | 9 Ų | 9 | 40.6 Ų | 40.6 | 6% | 0.063 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -147.2 | 147 | 171.9 | -158.8 | 0 | 0 | 0 | 0 | 110.5 | R62 I134 C135 | R62-S161 VanDerWaalsContact NH1-CA 3.35Å; R62-S161 PolarHBondContact NH1-OG 3.48Å; I134-S161 WeakPolarHBondContact CA-O 3.45Å; C135-S161 PolarHBondContact N-O 3.23Å; C135-S161 PolarHBondContact O-N 3.08Å |
| 162 | L | 56.9 | Low | 65.3 | Low | 6 Ų | 6 | 44.5 Ų | 44.5 | 3% | 0.031 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -63.2 | 139.4 | 148.9 | -73.8 | 176.2 | 0 | 0 | 0 | 109.1 | H132 C133 I134 L307 C309 F310 I331 | H132-L162 WeakPolarHBondContact O-CD2 3.23Å; C133-L162 HydrophobicContact CB-CD2 4.02Å; C133-L162 CarbonylContact O-C 3.48Å; C133-L162 WeakPolarHBondContact O-CA 3.38Å; I134-L162 HydrophobicContact CG1-CD2 3.73Å; L162-L307 HydrophobicContact CD1-CB 4.1Å; L162-L307 HydrophobicContact CD1-CD1 3.69Å; L162-L307 HydrophobicContact CD1-CD2 4.41Å; L162-L307 HydrophobicContact CD1-CG 4.28Å; L162-C309 VanDerWaalsContact CD1-SG 3.56Å; L162-F310 HydrophobicContact CD1-CE2 4.12Å; L162-F310 HydrophobicContact CD1-CZ 4.36Å; L162-I331 HydrophobicContact CD1-CD1 3.54Å; L162-I331 HydrophobicContact CD2-CD1 4.28Å |
| 163 | Q | 62.9 | Low | 63.4 | Low | 6 Ų | 6 | 46.5 Ų | 46.5 | 3% | 0.028 | 28% | 0.276 | C | S | . | . | trans | -136.3 | 88 | 173.6 | -172.1 | -171.2 | -28.6 | 0 | 0 | 107.9 | C133 C135 S167 L169 D190 | C133-Q163 PolarHBondContact O-N 3.27Å; C135-Q163 PolarHBondContact SG-OE1 2.88Å; Q163-S167 WeakPolarHBondContact CG-O 3.33Å; Q163-S167 VanDerWaalsContact CG-OG 3.24Å; Q163-S167 WeakPolarHBondContact CG-OG 2.96Å; Q163-S167 PolarHBondContact NE2-O 3.1Å; Q163-L169 HydrophobicContact CB-CD1 4.22Å; Q163-L169 HydrophobicContact CG-CD1 4.14Å; Q163-L169 HydrophobicContact CG-CD2 4.44Å; Q163-L169 HydrophobicContact CG-CG 4.24Å; Q163-D190 VanDerWaalsContact NE2-CG 3.28Å; Q163-D190 PolarHBondContact NE2-OD1 2.94Å; Q163-D190 PolarHBondContact OE1-OD1 2.96Å | ||
| 164 | P | 59.7 | Low | 61.6 | Low | 37 Ų | 37 | 46.7 Ų | 46.7 | 24% | 0.24 | 29% | 0.291 | C | S | . | . | trans | -55.5 | 154.3 | 168.4 | -23.7 | 34.9 | 0 | 0 | 0 | 111.2 | S167 | P164-S167 WeakPolarHBondContact O-CB 3.37Å; P164-S167 PolarHBondContact O-N 2.64Å; P164-S167 VanDerWaalsContact O-N 3.1Å; P164-S167 PolarHBondContact O-OG 2.97Å | ||
| 165 | E | 59.3 | Low | 60.6 | Low | 167 Ų | 167 | 47.3 Ų | 47.3 | 78% | 0.78 | 30% | 0.295 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.7 | 143.4 | -175.4 | -56.8 | -157.7 | 126.3 | 0 | 0 | 112.3 | S167 R192 | E165-S167 PolarHBondContact O-N 3.02Å; E165-R192 IonicContact OE1-NH1 3.86Å |
| 166 | G | 51.5 | Low | 60.3 | Low | 80 Ų | 80 | 47.8 Ų | 47.8 | 83% | 0.825 | 30% | 0.297 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 75.8 | -12.4 | -173.6 | 0 | 0 | 0 | 0 | 0 | 115.6 | ||
| 167 | S | 50.9 | Low | 60.6 | Low | 41 Ų | 41 | 47.3 Ų | 47.3 | 29% | 0.287 | 29% | 0.293 | S | S | . | . | trans | -78.4 | 138.8 | 174.7 | 72.6 | 0 | 0 | 0 | 0 | 112.5 | Q163 P164 E165 | Q163-S167 WeakPolarHBondContact CG-O 3.33Å; Q163-S167 VanDerWaalsContact CG-OG 3.24Å; Q163-S167 WeakPolarHBondContact CG-OG 2.96Å; Q163-S167 PolarHBondContact NE2-O 3.1Å; P164-S167 WeakPolarHBondContact O-CB 3.37Å; P164-S167 PolarHBondContact O-N 2.64Å; P164-S167 VanDerWaalsContact O-N 3.1Å; P164-S167 PolarHBondContact O-OG 2.97Å; E165-S167 PolarHBondContact O-N 3.02Å | ||
| 168 | L | 57.6 | Low | 61.2 | Low | 99 Ų | 99 | 48.7 Ų | 48.7 | 52% | 0.518 | 30% | 0.299 | S | S | . | . | trans | -117.4 | 148.4 | 174.7 | -61.1 | 175.3 | 0 | 0 | 0 | 110.2 | K188 D190 | L168-K188 HydrophobicContact CB-CB 3.89Å; L168-K188 HydrophobicContact CD1-CB 4.06Å; L168-D190 HydrophobicContact CD2-CB 4.44Å | ||
| 169 | L | 53.4 | Low | 62.6 | Low | 23 Ų | 23 | 48.9 Ų | 48.9 | 12% | 0.12 | 30% | 0.299 | C | S | . | . | B | Isolated β-bridge | trans | -114.8 | 160 | -168.6 | -55.3 | 177.7 | 0 | 0 | 0 | 112.3 | R137 Q163 K188 Y189 | R137-L169 VanDerWaalsContact CD-CD1 3.46Å; Q163-L169 HydrophobicContact CB-CD1 4.22Å; Q163-L169 HydrophobicContact CG-CD1 4.14Å; Q163-L169 HydrophobicContact CG-CD2 4.44Å; Q163-L169 HydrophobicContact CG-CG 4.24Å; L169-K188 WeakPolarHBondContact O-CA 3.34Å; L169-Y189 HydrophobicContact CB-CD1 4.41Å; L169-Y189 HydrophobicContact CB-CE1 4.01Å; L169-Y189 PolarHBondContact N-O 3.15Å; L169-Y189 WeakPolarHBondContact O-CD1 3.32Å; L169-Y189 WeakPolarHBondContact O-CE1 3.31Å; L169-Y189 PolarHBondContact O-N 2.97Å |
| 170 | E | 52.4 | Low | 64.3 | Low | 131 Ų | 131 | 46.2 Ų | 46.2 | 61% | 0.612 | 29% | 0.286 | S | S | * | . | trans | -132.1 | 131.6 | 172.3 | -65.5 | 176.5 | -169.5 | 0 | 0 | 109.2 | K188 | E170-K188 HydrophobicContact CG-CG 3.79Å; E170-K188 WeakPolarHBondContact OE1-CE 3.42Å; E170-K188 VanDerWaalsContact OE1-CG 3.29Å; E170-K188 WeakPolarHBondContact OE1-CG 3.45Å; E170-K188 IonicContact OE1-NZ 3.17Å | ||
| 171 | T | 59.3 | Low | 65.7 | Low | 42 Ų | 42 | 46.2 Ų | 46.2 | 26% | 0.258 | 29% | 0.286 | S | S | . | . | trans | -153.7 | 141.5 | -179.4 | -48.2 | 0 | 0 | 0 | 0 | 110.8 | R137 V183 Y189 | R137-T171 PolarHBondContact NH1-OG1 3.38Å; R137-T171 VanDerWaalsContact NH1-OG1 3.12Å; T171-V183 WeakPolarHBondContact O-CG1 3.22Å; T171-Y189 WeakPolarHBondContact CB-OH 3.35Å; T171-Y189 PolarHBondContact OG1-OH 3.39Å | ||
| 172 | S | 46.1 | Very low | 67.1 | Low | 116 Ų | 116 | 46 Ų | 46 | 81% | 0.811 | 28% | 0.284 | S | S | * | . | trans | -79.5 | 126.9 | 170.4 | -45.6 | 0 | 0 | 0 | 0 | 111.6 | G174 | S172-G174 PolarHBondContact O-N 2.82Š| ||
| 173 | C | 52.9 | Low | 68.5 | Low | 43 Ų | 43 | 46.5 Ų | 46.5 | 29% | 0.291 | 29% | 0.288 | S | S | . | . | trans | -64.2 | 125.7 | -178 | -49 | 0 | 0 | 0 | 0 | 113.2 | A179 V183 | C173-A179 HydrophobicContact CB-CB 4.25Å; C173-V183 VanDerWaalsContact SG-CG1 3.56Å | ||
| 174 | G | 56.3 | Low | 69.5 | Low | 45 Ų | 45 | 47.2 Ų | 47.2 | 46% | 0.464 | 29% | 0.291 | S | S | . | . | S | Bend | trans | -80.4 | -43 | 164.9 | 0 | 0 | 0 | 0 | 0 | 112.9 | S172 P176 | S172-G174 PolarHBondContact O-N 2.82Å; G174-P176 WeakPolarHBondContact O-CD 3.41Å |
| 175 | S | 72.4 | Confident | 70.8 | Confident | 14 Ų | 14 | 50.4 Ų | 50.4 | 10% | 0.098 | 30% | 0.298 | C | S | . | . | trans | -120.7 | 80.7 | -172 | -56.9 | 0 | 0 | 0 | 0 | 112.7 | H177 Y178 A179 | S175-H177 PolarHBondContact O-N 3.43Å; S175-Y178 PolarHBondContact O-N 3.5Å; S175-A179 PolarHBondContact O-N 2.88Å | ||
| 176 | P | 81.5 | Confident | 71.7 | Confident | 13 Ų | 13 | 45.2 Ų | 45.2 | 8% | 0.084 | 29% | 0.29 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -66.7 | -5.7 | -169.7 | 25.9 | -35.6 | 0 | 0 | 0 | 116.2 | G174 L218 L221 L222 | G174-P176 WeakPolarHBondContact O-CD 3.41Å; P176-L218 HydrophobicContact CB-CD1 3.8Å; P176-L218 HydrophobicContact CG-CD1 3.44Å; P176-L218 VanDerWaalsContact CG-CD1 3.44Å; P176-L218 HydrophobicContact CG-CD2 4.43Å; P176-L221 HydrophobicContact CB-CD2 4.4Å; P176-L221 HydrophobicContact CG-CD2 4.3Å; P176-L222 HydrophobicContact CB-CD2 3.82Å |
| 177 | H | 85 | Confident | 73.2 | Confident | 53 Ų | 53 | 45.3 Ų | 45.3 | 25% | 0.245 | 27% | 0.269 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -77.2 | -27.1 | 171.2 | -60.4 | 92.4 | 0 | 0 | 0 | 112.9 | S175 L211 D214 L221 | S175-H177 PolarHBondContact O-N 3.43Å; H177-L211 HydrophobicContact CB-CD1 4.23Å; H177-D214 IonicContact NE2-OD1 2.96Å; H177-L221 VanDerWaalsContact CD2-CD2 3.46Å; H177-L221 WeakPolarHBondContact CD2-CD2 3.39Å; H177-L221 VanDerWaalsContact NE2-CD2 3.32Å; H177-L221 WeakPolarHBondContact NE2-CD2 3.43Å |
| 178 | Y | 89.2 | Confident | 74.6 | Confident | 28 Ų | 28 | 49.8 Ų | 49.8 | 11% | 0.11 | 28% | 0.283 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -110 | -17.6 | -174.6 | -54.6 | -82.4 | 0 | 0 | 0 | 112.9 | K140 P141 S175 S198 V201 I202 L211 | K140-Y178 HydrophobicContact CB-CD2 4.21Å; P141-Y178 HydrophobicContact CG-CE1 4.07Å; P141-Y178 HydrophobicContact CG-CE2 4.08Å; P141-Y178 WeakPolarHBondContact CG-OH 3.32Å; S175-Y178 PolarHBondContact O-N 3.5Å; Y178-S198 PolarHBondContact O-OG 3.19Å; Y178-V201 HydrophobicContact CD1-CB 4.17Å; Y178-V201 HydrophobicContact CD1-CG1 3.47Å; Y178-V201 VanDerWaalsContact CD1-CG1 3.47Å; Y178-V201 HydrophobicContact CE1-CG1 3.78Å; Y178-V201 HydrophobicContact CG-CG1 4.38Å; Y178-I202 HydrophobicContact CD1-CG1 4.22Å; Y178-I202 HydrophobicContact CE1-CG1 4.4Å; Y178-L211 HydrophobicContact CE1-CD2 3.91Å |
| 179 | A | 89.1 | Confident | 75.7 | Confident | 17 Ų | 17 | 45.4 Ų | 45.4 | 14% | 0.14 | 26% | 0.26 | C | S | . | . | S | Bend | trans | -68.7 | 147.8 | 174 | 0 | 0 | 0 | 0 | 0 | 111.7 | C173 S175 I184 W197 | C173-A179 HydrophobicContact CB-CB 4.25Å; S175-A179 PolarHBondContact O-N 2.88Å; A179-I184 HydrophobicContact CB-CD1 3.95Å; A179-I184 HydrophobicContact CB-CG1 4.06Å; A179-W197 PolarHBondContact O-NE1 2.92Å |
| 180 | C | 91.4 | Very high | 77.3 | Confident | 0 Ų | 0 | 45.7 Ų | 45.7 | 0% | 0 | 26% | 0.261 | C | S | . | . | trans | -83.2 | 161.4 | 177.8 | 55.8 | 0 | 0 | 0 | 0 | 112.7 | E182 V183 I184 A194 W197 | C180-E182 VanDerWaalsContact C-N 3.29Å; C180-E182 WeakPolarHBondContact CB-OE2 3.37Å; C180-E182 PolarHBondContact O-N 3.36Å; C180-E182 VanDerWaalsContact SG-CD 3.51Å; C180-V183 PolarHBondContact O-N 3.46Å; C180-V183 WeakPolarHBondContact SG-CG2 3.34Å; C180-I184 WeakPolarHBondContact O-CB 3.32Å; C180-I184 PolarHBondContact O-N 2.96Å; C180-I184 VanDerWaalsContact O-N 3.13Å; C180-A194 VanDerWaalsContact SG-CB 3.5Å; C180-W197 HydrophobicContact CB-CB 3.73Å; C180-W197 HydrophobicContact CB-CD2 3.83Å; C180-W197 HydrophobicContact CB-CE3 4.46Å; C180-W197 HydrophobicContact CB-CG 3.45Å; C180-W197 VanDerWaalsContact CB-CG 3.45Å | ||
| 181 | P | 91.5 | Very high | 78.9 | Confident | 0 Ų | 0 | 39.4 Ų | 39.4 | 0% | 0 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -53.3 | -40.6 | -175.3 | -30.1 | 38 | 0 | 0 | 0 | 114.5 | I184 R185 W197 V225 V250 | P181-I184 CarbonylContact O-C 3.54Å; P181-I184 WeakPolarHBondContact O-CB 3.43Å; P181-I184 PolarHBondContact O-N 2.87Å; P181-R185 VanDerWaalsContact O-CG 3.22Å; P181-R185 WeakPolarHBondContact O-CG 3.33Å; P181-R185 PolarHBondContact O-N 3.04Å; P181-W197 HydrophobicContact CG-CH2 3.71Å; P181-W197 HydrophobicContact CG-CZ2 4.15Å; P181-W197 HydrophobicContact CG-CZ3 3.93Å; P181-V225 HydrophobicContact CG-CG1 4.33Å; P181-V250 HydrophobicContact CB-CG1 4.25Å; P181-V250 HydrophobicContact CG-CG1 4.14Å; P181-V250 HydrophobicContact CG-CG2 4.32Å |
| 182 | E | 89.7 | Confident | 80.3 | Confident | 5 Ų | 5 | 41 Ų | 41 | 2% | 0.023 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -65.7 | -46.7 | -177.5 | 55.3 | -89.5 | -132.8 | 0 | 0 | 112.4 | C180 I184 R185 G186 E187 T252 R255 | C180-E182 VanDerWaalsContact C-N 3.29Å; C180-E182 WeakPolarHBondContact CB-OE2 3.37Å; C180-E182 PolarHBondContact O-N 3.36Å; C180-E182 VanDerWaalsContact SG-CD 3.51Å; E182-I184 VanDerWaalsContact C-N 3.27Å; E182-I184 PolarHBondContact O-N 3Å; E182-R185 WeakPolarHBondContact O-CB 3.31Å; E182-R185 PolarHBondContact O-N 3.46Å; E182-G186 PolarHBondContact O-N 2.8Å; E182-G186 VanDerWaalsContact O-N 3.11Å; E182-E187 WeakPolarHBondContact CA-OE2 3.46Å; E182-E187 HydrophobicContact CB-CB 4.25Å; E182-E187 PolarHBondContact O-N 2.88Å; E182-T252 WeakPolarHBondContact OE1-CG2 3.37Å; E182-T252 PolarHBondContact OE1-OG1 3.36Å; E182-R255 IonicContact OE1-CZ 2.79Å; E182-R255 VanDerWaalsContact OE1-CZ 3.29Å; E182-R255 IonicContact OE1-NH1 3.21Å; E182-R255 PolarHBondContact OE1-NH1 3.46Å; E182-R255 IonicContact OE1-NH2 2.62Å; E182-R255 PolarHBondContact OE1-NH2 2.9Å; E182-R255 IonicContact OE2-CZ 3.96Å; E182-R255 IonicContact OE2-NH1 2.91Å; E182-R255 IonicContact OE2-NH2 3.22Å; E182-R255 PolarHBondContact OE2-NH2 2.98Å |
| 183 | V | 85.9 | Confident | 82.5 | Confident | 17 Ų | 17 | 36.5 Ų | 36.5 | 10% | 0.103 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -63.8 | -37.1 | 174.8 | -169 | 0 | 0 | 0 | 0 | 110.4 | T171 C173 C180 R185 G186 Y189 A194 | T171-V183 WeakPolarHBondContact O-CG1 3.22Å; C173-V183 VanDerWaalsContact SG-CG1 3.56Å; C180-V183 PolarHBondContact O-N 3.46Å; C180-V183 WeakPolarHBondContact SG-CG2 3.34Å; V183-R185 PolarHBondContact O-N 3.01Å; V183-G186 PolarHBondContact O-N 3.12Å; V183-G186 VanDerWaalsContact O-N 3.08Å; V183-Y189 HydrophobicContact CG1-CE1 4.16Å; V183-Y189 HydrophobicContact CG2-CD1 3.68Å; V183-Y189 HydrophobicContact CG2-CD2 3.59Å; V183-Y189 HydrophobicContact CG2-CE1 3.76Å; V183-Y189 HydrophobicContact CG2-CE2 3.64Å; V183-Y189 HydrophobicContact CG2-CG 3.61Å; V183-A194 HydrophobicContact CG2-CB 4.4Å |
| 184 | I | 85.3 | Confident | 84.4 | Confident | 20 Ų | 20 | 34.7 Ų | 34.7 | 10% | 0.103 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -68.7 | -18.5 | 175.3 | -85.5 | 166.3 | 0 | 0 | 0 | 113.5 | A179 C180 P181 E182 L222 V225 K226 | A179-I184 HydrophobicContact CB-CD1 3.95Å; A179-I184 HydrophobicContact CB-CG1 4.06Å; C180-I184 WeakPolarHBondContact O-CB 3.32Å; C180-I184 PolarHBondContact O-N 2.96Å; C180-I184 VanDerWaalsContact O-N 3.13Å; P181-I184 CarbonylContact O-C 3.54Å; P181-I184 WeakPolarHBondContact O-CB 3.43Å; P181-I184 PolarHBondContact O-N 2.87Å; E182-I184 VanDerWaalsContact C-N 3.27Å; E182-I184 PolarHBondContact O-N 3Å; I184-L222 HydrophobicContact CB-CD2 4.31Å; I184-L222 HydrophobicContact CD1-CD2 3.92Å; I184-L222 HydrophobicContact CG1-CD2 3.76Å; I184-L222 HydrophobicContact CG2-CB 4.34Å; I184-L222 HydrophobicContact CG2-CD2 3.73Å; I184-V225 HydrophobicContact CD1-CB 4.02Å; I184-V225 HydrophobicContact CD1-CG1 3.45Å; I184-V225 VanDerWaalsContact CD1-CG1 3.45Å; I184-V225 HydrophobicContact CD1-CG2 4.41Å; I184-K226 HydrophobicContact CG2-CD 4.21Å; I184-K226 VanDerWaalsContact CG2-CE 3.46Å; I184-K226 HydrophobicContact CG2-CG 3.74Å |
| 185 | R | 85.7 | Confident | 86.1 | Confident | 104 Ų | 104 | 32.5 Ų | 32.5 | 39% | 0.392 | 17% | 0.166 | S | C | . | . | H | α-helix | trans | -90.2 | -16.6 | 170.4 | -66.8 | 164.8 | -163.9 | 169.9 | 2.3 | 112.5 | P181 E182 V183 E187 K226 | P181-R185 VanDerWaalsContact O-CG 3.22Å; P181-R185 WeakPolarHBondContact O-CG 3.33Å; P181-R185 PolarHBondContact O-N 3.04Å; E182-R185 WeakPolarHBondContact O-CB 3.31Å; E182-R185 PolarHBondContact O-N 3.46Å; V183-R185 PolarHBondContact O-N 3.01Å; R185-E187 HydrophobicContact CB-CG 3.79Å; R185-E187 WeakPolarHBondContact CD-OE1 3.43Å; R185-E187 VanDerWaalsContact CD-OE2 3.22Å; R185-E187 WeakPolarHBondContact CD-OE2 3.37Å; R185-E187 IonicContact CZ-OE2 2.75Å; R185-E187 IonicContact NE-OE2 3.59Å; R185-E187 IonicContact NH1-OE1 3.98Å; R185-E187 PolarHBondContact NH1-OE1 2.75Å; R185-E187 IonicContact NH1-OE2 2.71Å; R185-E187 PolarHBondContact NH1-OE2 2.84Å; R185-K226 HydrophobicContact CG-CD 4.16Å; R185-K226 HydrophobicContact CG-CG 4.36Å |
| 186 | G | 79.4 | Confident | 87.2 | Confident | 58 Ų | 58 | 31.9 Ų | 31.9 | 60% | 0.598 | 16% | 0.161 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 78.6 | 21.6 | -169.9 | 0 | 0 | 0 | 0 | 0 | 112.8 | E182 V183 | E182-G186 PolarHBondContact O-N 2.8Å; E182-G186 VanDerWaalsContact O-N 3.11Å; V183-G186 PolarHBondContact O-N 3.12Å; V183-G186 VanDerWaalsContact O-N 3.08Å |
| 187 | E | 82.3 | Confident | 87.9 | Confident | 83 Ų | 83 | 31.3 Ų | 31.3 | 39% | 0.388 | 16% | 0.157 | S | C | . | . | trans | -77.2 | 151 | 177.3 | -69.8 | 165.8 | 174.6 | 0 | 0 | 110.6 | E182 R185 Y189 | E182-E187 WeakPolarHBondContact CA-OE2 3.46Å; E182-E187 HydrophobicContact CB-CB 4.25Å; E182-E187 PolarHBondContact O-N 2.88Å; R185-E187 HydrophobicContact CB-CG 3.79Å; R185-E187 WeakPolarHBondContact CD-OE1 3.43Å; R185-E187 VanDerWaalsContact CD-OE2 3.22Å; R185-E187 WeakPolarHBondContact CD-OE2 3.37Å; R185-E187 IonicContact CZ-OE2 2.75Å; R185-E187 IonicContact NE-OE2 3.59Å; R185-E187 IonicContact NH1-OE1 3.98Å; R185-E187 PolarHBondContact NH1-OE1 2.75Å; R185-E187 IonicContact NH1-OE2 2.71Å; R185-E187 PolarHBondContact NH1-OE2 2.84Å; E187-Y189 PolarHBondContact O-N 2.79Å | ||
| 188 | K | 79.8 | Confident | 88.3 | Confident | 135 Ų | 135 | 29 Ų | 29 | 59% | 0.587 | 15% | 0.147 | S | C | * | . | trans | -64.2 | 120.2 | 170.2 | -78.3 | -173.7 | 177.9 | -177.8 | 0 | 109.8 | L168 L169 E170 | L168-K188 HydrophobicContact CB-CB 3.89Å; L168-K188 HydrophobicContact CD1-CB 4.06Å; L169-K188 WeakPolarHBondContact O-CA 3.34Å; E170-K188 HydrophobicContact CG-CG 3.79Å; E170-K188 WeakPolarHBondContact OE1-CE 3.42Å; E170-K188 VanDerWaalsContact OE1-CG 3.29Å; E170-K188 WeakPolarHBondContact OE1-CG 3.45Å; E170-K188 IonicContact OE1-NZ 3.17Å | ||
| 189 | Y | 81.8 | Confident | 88.5 | Confident | 7 Ų | 7 | 27.8 Ų | 27.8 | 3% | 0.027 | 14% | 0.143 | C | C | . | . | B | Isolated β-bridge | trans | -126 | 155.5 | -168.5 | 70.3 | -82.1 | 0 | 0 | 0 | 113.8 | L169 T171 V183 E187 A194 | L169-Y189 HydrophobicContact CB-CD1 4.41Å; L169-Y189 HydrophobicContact CB-CE1 4.01Å; L169-Y189 PolarHBondContact N-O 3.15Å; L169-Y189 WeakPolarHBondContact O-CD1 3.32Å; L169-Y189 WeakPolarHBondContact O-CE1 3.31Å; L169-Y189 PolarHBondContact O-N 2.97Å; T171-Y189 WeakPolarHBondContact CB-OH 3.35Å; T171-Y189 PolarHBondContact OG1-OH 3.39Å; V183-Y189 HydrophobicContact CG1-CE1 4.16Å; V183-Y189 HydrophobicContact CG2-CD1 3.68Å; V183-Y189 HydrophobicContact CG2-CD2 3.59Å; V183-Y189 HydrophobicContact CG2-CE1 3.76Å; V183-Y189 HydrophobicContact CG2-CE2 3.64Å; V183-Y189 HydrophobicContact CG2-CG 3.61Å; E187-Y189 PolarHBondContact O-N 2.79Å; Y189-A194 HydrophobicContact CD2-CB 3.8Å; Y189-A194 HydrophobicContact CE2-CB 3.85Å |
| 190 | D | 85.4 | Confident | 88.9 | Confident | 28 Ų | 28 | 27 Ų | 27 | 15% | 0.15 | 14% | 0.136 | C | C | . | . | trans | -82.2 | 117.9 | 165.6 | -171.2 | -26.4 | 0 | 0 | 0 | 109.1 | Q163 L168 R192 M193 A194 | Q163-D190 VanDerWaalsContact NE2-CG 3.28Å; Q163-D190 PolarHBondContact NE2-OD1 2.94Å; Q163-D190 PolarHBondContact OE1-OD1 2.96Å; L168-D190 HydrophobicContact CD2-CB 4.44Å; D190-R192 PolarHBondContact O-N 2.92Å; D190-R192 WeakPolarHBondContact OD1-CB 2.98Å; D190-R192 WeakPolarHBondContact OD1-CG 2.97Å; D190-R192 PolarHBondContact OD1-N 3.02Å; D190-R192 IonicContact OD1-NE 3.6Å; D190-R192 PolarHBondContact OD1-NE 3.3Å; D190-R192 VanDerWaalsContact OD1-NE 3.16Å; D190-R192 IonicContact OD1-NH2 3.99Å; D190-R192 IonicContact OD2-CZ 3.59Å; D190-R192 IonicContact OD2-NE 2.7Å; D190-R192 PolarHBondContact OD2-NE 2.9Å; D190-R192 IonicContact OD2-NH2 2.73Å; D190-R192 PolarHBondContact OD2-NH2 3.36Å; D190-M193 HydrophobicContact CB-CB 4.33Å; D190-M193 HydrophobicContact CB-CG 4Å; D190-M193 PolarHBondContact O-N 2.87Å; D190-A194 PolarHBondContact O-N 2.86Å; D190-A194 VanDerWaalsContact O-N 3.11Å | ||
| 191 | G | 86.2 | Confident | 89.1 | Confident | 0 Ų | 0 | 27 Ų | 27 | 0% | 0 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -61.2 | -30.9 | -180 | 0 | 0 | 0 | 0 | 0 | 113.4 | A194 D195 | G191-A194 PolarHBondContact O-N 2.95Å; G191-D195 PolarHBondContact O-N 2.93Å |
| 192 | R | 90.2 | Very high | 89.2 | Confident | 75 Ų | 75 | 27 Ų | 27 | 28% | 0.283 | 14% | 0.136 | S | C | . | . | H | α-helix | trans | -65.2 | -44.4 | 177.9 | -58 | 172.6 | -67.7 | -173 | 5.1 | 110.6 | H130 C135 E165 D190 A194 D195 V196 | H130-R192 VanDerWaalsContact CE1-CA 3.45Å; H130-R192 WeakPolarHBondContact CE1-CA 3.26Å; C135-R192 WeakPolarHBondContact SG-CG 3.5Å; C135-R192 PolarHBondContact SG-N 3.13Å; E165-R192 IonicContact OE1-NH1 3.86Å; D190-R192 PolarHBondContact O-N 2.92Å; D190-R192 WeakPolarHBondContact OD1-CB 2.98Å; D190-R192 WeakPolarHBondContact OD1-CG 2.97Å; D190-R192 PolarHBondContact OD1-N 3.02Å; D190-R192 IonicContact OD1-NE 3.6Å; D190-R192 PolarHBondContact OD1-NE 3.3Å; D190-R192 VanDerWaalsContact OD1-NE 3.16Å; D190-R192 IonicContact OD1-NH2 3.99Å; D190-R192 IonicContact OD2-CZ 3.59Å; D190-R192 IonicContact OD2-NE 2.7Å; D190-R192 PolarHBondContact OD2-NE 2.9Å; D190-R192 IonicContact OD2-NH2 2.73Å; D190-R192 PolarHBondContact OD2-NH2 3.36Å; R192-A194 VanDerWaalsContact C-N 3.31Å; R192-A194 PolarHBondContact O-N 2.91Å; R192-D195 PolarHBondContact O-N 3.19Å; R192-V196 WeakPolarHBondContact O-CG2 3.24Å; R192-V196 PolarHBondContact O-N 3.38Å; R192-V196 VanDerWaalsContact O-N 3.08Å |
| 193 | M | 91.9 | Very high | 89.5 | Confident | 21 Ų | 21 | 26.8 Ų | 26.8 | 10% | 0.103 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -72.7 | -25.7 | 178.8 | -54.5 | -50.8 | -70.1 | 0 | 0 | 112.4 | D190 W197 T252 R255 I256 | D190-M193 HydrophobicContact CB-CB 4.33Å; D190-M193 HydrophobicContact CB-CG 4Å; D190-M193 PolarHBondContact O-N 2.87Å; M193-W197 PolarHBondContact O-N 2.85Å; M193-T252 HydrophobicContact CB-CG2 3.6Å; M193-T252 HydrophobicContact CG-CG2 3.93Å; M193-R255 HydrophobicContact CE-CB 3.89Å; M193-R255 HydrophobicContact CE-CG 4.2Å; M193-R255 WeakPolarHBondContact CE-O 3.08Å; M193-R255 WeakPolarHBondContact O-CD 3.49Å; M193-R255 PolarHBondContact O-NH1 3.03Å; M193-I256 WeakPolarHBondContact CE-O 3.41Å |
| 194 | A | 91.5 | Very high | 90.1 | Very high | 5 Ų | 5 | 26.5 Ų | 26.5 | 4% | 0.041 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -70.1 | -44 | 170.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | C180 V183 Y189 D190 G191 R192 V196 W197 S198 | C180-A194 VanDerWaalsContact SG-CB 3.5Å; V183-A194 HydrophobicContact CG2-CB 4.4Å; Y189-A194 HydrophobicContact CD2-CB 3.8Å; Y189-A194 HydrophobicContact CE2-CB 3.85Å; D190-A194 PolarHBondContact O-N 2.86Å; D190-A194 VanDerWaalsContact O-N 3.11Å; G191-A194 PolarHBondContact O-N 2.95Å; R192-A194 VanDerWaalsContact C-N 3.31Å; R192-A194 PolarHBondContact O-N 2.91Å; A194-V196 VanDerWaalsContact C-N 3.34Å; A194-V196 PolarHBondContact O-N 2.88Å; A194-W197 PolarHBondContact O-N 2.77Å; A194-S198 PolarHBondContact O-N 3.09Å; A194-S198 PolarHBondContact O-OG 3.16Å |
| 195 | D | 93 | Very high | 90.5 | Very high | 0 Ų | 0 | 25.6 Ų | 25.6 | 0% | 0 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -60.1 | -42.1 | 174.7 | -72.7 | -18.9 | 0 | 0 | 0 | 111.4 | H130 C135 H136 R137 G191 R192 W197 S198 C199 | H130-D195 IonicContact CD2-OD2 2.64Å; H130-D195 IonicContact CE1-OD2 3.82Å; H130-D195 IonicContact NE2-OD2 3.1Å; H130-D195 PolarHBondContact NE2-OD2 3.43Å; C135-D195 WeakPolarHBondContact CA-OD2 3.16Å; H136-D195 PolarHBondContact N-OD2 3.25Å; R137-D195 PolarHBondContact N-OD1 3.36Å; G191-D195 PolarHBondContact O-N 2.93Å; R192-D195 PolarHBondContact O-N 3.19Å; D195-W197 PolarHBondContact O-N 2.9Å; D195-S198 PolarHBondContact O-N 3.37Å; D195-C199 PolarHBondContact O-N 3.23Å; D195-C199 PolarHBondContact O-SG 2.89Å; D195-C199 VanDerWaalsContact O-SG 3.4Å |
| 196 | V | 95 | Very high | 91 | Very high | 1 Ų | 1 | 20.6 Ų | 20.6 | 1% | 0.006 | 11% | 0.109 | C | C | . | . | H | α-helix | trans | -59.5 | -44.3 | 175.7 | 173 | 0 | 0 | 0 | 0 | 112.1 | R192 A194 S198 C199 G200 M247 R255 I256 L258 | R192-V196 WeakPolarHBondContact O-CG2 3.24Å; R192-V196 PolarHBondContact O-N 3.38Å; R192-V196 VanDerWaalsContact O-N 3.08Å; A194-V196 VanDerWaalsContact C-N 3.34Å; A194-V196 PolarHBondContact O-N 2.88Å; V196-S198 PolarHBondContact O-N 3.47Å; V196-C199 WeakPolarHBondContact O-CB 3.18Å; V196-C199 PolarHBondContact O-N 3.32Å; V196-G200 PolarHBondContact O-N 2.98Å; V196-M247 HydrophobicContact CG1-CB 4.25Å; V196-M247 HydrophobicContact CG1-CE 4.03Å; V196-M247 HydrophobicContact CG1-CG 4.13Å; V196-M247 WeakPolarHBondContact O-CE 3.49Å; V196-R255 HydrophobicContact CG1-CG 4.46Å; V196-I256 HydrophobicContact CG1-CG2 4.13Å; V196-I256 WeakPolarHBondContact CG1-O 3.13Å; V196-L258 HydrophobicContact CG2-CB 4.15Å |
| 197 | W | 95.5 | Very high | 91.7 | Very high | 0 Ų | 0 | 18.2 Ų | 18.2 | 0% | 0 | 8% | 0.082 | C | C | . | . | H | α-helix | trans | -60.4 | -46.3 | 175.5 | 171.2 | -78.1 | 0 | 0 | 0 | 111.1 | A179 C180 P181 M193 A194 D195 C199 G200 V201 F213 V225 I248 E249 V250 | A179-W197 PolarHBondContact O-NE1 2.92Å; C180-W197 HydrophobicContact CB-CB 3.73Å; C180-W197 HydrophobicContact CB-CD2 3.83Å; C180-W197 HydrophobicContact CB-CE3 4.46Å; C180-W197 HydrophobicContact CB-CG 3.45Å; C180-W197 VanDerWaalsContact CB-CG 3.45Å; P181-W197 HydrophobicContact CG-CH2 3.71Å; P181-W197 HydrophobicContact CG-CZ2 4.15Å; P181-W197 HydrophobicContact CG-CZ3 3.93Å; M193-W197 PolarHBondContact O-N 2.85Å; A194-W197 PolarHBondContact O-N 2.77Å; D195-W197 PolarHBondContact O-N 2.9Å; W197-C199 VanDerWaalsContact C-N 3.31Å; W197-C199 PolarHBondContact O-N 2.77Å; W197-G200 WeakPolarHBondContact O-CA 3.44Å; W197-G200 PolarHBondContact O-N 2.94Å; W197-V201 PolarHBondContact O-N 2.73Å; W197-F213 AromaticContact CH2-CE2 3.94Å; W197-F213 HydrophobicContact CH2-CE2 3.94Å; W197-F213 AromaticContact CH2-CZ 3.96Å; W197-F213 HydrophobicContact CH2-CZ 3.96Å; W197-F213 HydrophobicContact CZ2-CD2 4.27Å; W197-F213 AromaticContact CZ2-CE2 3.43Å; W197-F213 HydrophobicContact CZ2-CE2 3.43Å; W197-F213 VanDerWaalsContact CZ2-CE2 3.43Å; W197-F213 AromaticContact CZ2-CZ 3.94Å; W197-F213 HydrophobicContact CZ2-CZ 3.94Å; W197-V225 HydrophobicContact CZ2-CG1 3.91Å; W197-I248 HydrophobicContact CD2-CG2 4.2Å; W197-I248 HydrophobicContact CE3-CB 4.41Å; W197-I248 HydrophobicContact CE3-CG2 3.96Å; W197-I248 HydrophobicContact CH2-CG2 3.49Å; W197-I248 VanDerWaalsContact CH2-CG2 3.49Å; W197-I248 HydrophobicContact CZ2-CG2 3.72Å; W197-I248 VanDerWaalsContact CZ3-C 3.41Å; W197-I248 HydrophobicContact CZ3-CB 4.34Å; W197-I248 HydrophobicContact CZ3-CG2 3.62Å; W197-E249 WeakPolarHBondContact CZ3-O 3.26Å; W197-V250 HydrophobicContact CZ3-CG2 4.41Å |
| 198 | S | 94.2 | Very high | 92.3 | Very high | 6 Ų | 6 | 15.2 Ų | 15.2 | 4% | 0.042 | 7% | 0.069 | C | C | . | . | H | α-helix | trans | -59.8 | -40.7 | 177.1 | -58 | 0 | 0 | 0 | 0 | 111.8 | Y178 A194 D195 V196 G200 V201 I202 | Y178-S198 PolarHBondContact O-OG 3.19Å; A194-S198 PolarHBondContact O-N 3.09Å; A194-S198 PolarHBondContact O-OG 3.16Å; D195-S198 PolarHBondContact O-N 3.37Å; V196-S198 PolarHBondContact O-N 3.47Å; S198-G200 VanDerWaalsContact C-N 3.34Å; S198-G200 PolarHBondContact O-N 2.94Å; S198-V201 PolarHBondContact O-N 3.09Å; S198-I202 WeakPolarHBondContact O-CD1 3.44Å; S198-I202 VanDerWaalsContact O-CG1 3.28Å; S198-I202 WeakPolarHBondContact O-CG1 3.39Å; S198-I202 PolarHBondContact O-N 3.12Å |
| 199 | C | 94.5 | Very high | 92.9 | Very high | 1 Ų | 1 | 9.6 Ų | 9.6 | 1% | 0.007 | 5% | 0.05 | C | C | . | . | H | α-helix | trans | -60.8 | -38.8 | 171.3 | -73.9 | 0 | 0 | 0 | 0 | 113.3 | F119 L126 L139 D195 V196 W197 I202 L203 M247 | F119-C199 HydrophobicContact CE2-CB 4.31Å; L126-C199 WeakPolarHBondContact CD1-SG 3.49Å; L139-C199 WeakPolarHBondContact CD2-SG 3.15Å; D195-C199 PolarHBondContact O-N 3.23Å; D195-C199 PolarHBondContact O-SG 2.89Å; D195-C199 VanDerWaalsContact O-SG 3.4Å; V196-C199 WeakPolarHBondContact O-CB 3.18Å; V196-C199 PolarHBondContact O-N 3.32Å; W197-C199 VanDerWaalsContact C-N 3.31Å; W197-C199 PolarHBondContact O-N 2.77Å; C199-I202 PolarHBondContact O-N 3.27Å; C199-L203 WeakPolarHBondContact O-CB 3.32Å; C199-L203 PolarHBondContact O-N 3.31Å; C199-M247 HydrophobicContact CB-CE 3.54Å |
| 200 | G | 96.2 | Very high | 93.4 | Very high | 0 Ų | 0 | 10.5 Ų | 10.5 | 0% | 0 | 6% | 0.059 | C | C | . | . | H | α-helix | trans | -61.5 | -47.5 | 174.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | V196 W197 S198 I202 L203 Y204 L244 | V196-G200 PolarHBondContact O-N 2.98Å; W197-G200 WeakPolarHBondContact O-CA 3.44Å; W197-G200 PolarHBondContact O-N 2.94Å; S198-G200 VanDerWaalsContact C-N 3.34Å; S198-G200 PolarHBondContact O-N 2.94Å; G200-I202 VanDerWaalsContact C-N 3.33Å; G200-I202 PolarHBondContact O-N 3.25Å; G200-L203 PolarHBondContact O-N 3.02Å; G200-Y204 PolarHBondContact O-N 3.36Å; G200-L244 WeakPolarHBondContact O-CD2 3.41Å |
| 201 | V | 95.9 | Very high | 93.8 | Very high | 0 Ų | 0 | 10.6 Ų | 10.6 | 0% | 0 | 6% | 0.059 | C | C | . | . | H | α-helix | trans | -60.4 | -41.8 | 175.6 | 176.5 | 0 | 0 | 0 | 0 | 111.5 | Y178 W197 S198 A205 L211 P212 I248 | Y178-V201 HydrophobicContact CD1-CB 4.17Å; Y178-V201 HydrophobicContact CD1-CG1 3.47Å; Y178-V201 VanDerWaalsContact CD1-CG1 3.47Å; Y178-V201 HydrophobicContact CE1-CG1 3.78Å; Y178-V201 HydrophobicContact CG-CG1 4.38Å; W197-V201 PolarHBondContact O-N 2.73Å; S198-V201 PolarHBondContact O-N 3.09Å; V201-A205 PolarHBondContact O-N 3.19Å; V201-L211 HydrophobicContact CG1-CD2 4.24Å; V201-P212 HydrophobicContact CB-CG 4.3Å; V201-P212 HydrophobicContact CG1-CG 3.92Å; V201-P212 HydrophobicContact CG2-CG 4.06Å; V201-I248 HydrophobicContact CG2-CD1 4.47Å |
| 202 | I | 94.8 | Very high | 94.1 | Very high | 1 Ų | 1 | 11.2 Ų | 11.2 | 1% | 0.005 | 6% | 0.063 | C | C | . | . | H | α-helix | trans | -65.5 | -45.5 | 176.6 | -70.2 | 159.3 | 0 | 0 | 0 | 111.1 | F101 I122 L139 L144 Y178 S198 C199 G200 Y204 A205 L206 | F101-I202 HydrophobicContact CE2-CG2 4.44Å; I122-I202 HydrophobicContact CD1-CG2 4.16Å; L139-I202 HydrophobicContact CD2-CD1 3.84Å; L139-I202 HydrophobicContact CG-CD1 3.84Å; L144-I202 HydrophobicContact CD1-CD1 4.21Å; L144-I202 HydrophobicContact CD1-CG2 3.9Å; Y178-I202 HydrophobicContact CD1-CG1 4.22Å; Y178-I202 HydrophobicContact CE1-CG1 4.4Å; S198-I202 WeakPolarHBondContact O-CD1 3.44Å; S198-I202 VanDerWaalsContact O-CG1 3.28Å; S198-I202 WeakPolarHBondContact O-CG1 3.39Å; S198-I202 PolarHBondContact O-N 3.12Å; C199-I202 PolarHBondContact O-N 3.27Å; G200-I202 VanDerWaalsContact C-N 3.33Å; G200-I202 PolarHBondContact O-N 3.25Å; I202-Y204 PolarHBondContact O-N 3.49Å; I202-A205 WeakPolarHBondContact O-CB 3.5Å; I202-A205 PolarHBondContact O-N 3.08Å; I202-A205 VanDerWaalsContact O-N 3.16Å; I202-L206 HydrophobicContact CG2-CD1 4.11Å; I202-L206 HydrophobicContact CG2-CG 4.45Å; I202-L206 WeakPolarHBondContact O-CG 3.38Å; I202-L206 PolarHBondContact O-N 2.98Å |
| 203 | L | 96 | Very high | 94.3 | Very high | 0 Ų | 0 | 7.8 Ų | 7.8 | 0% | 0 | 5% | 0.051 | C | C | . | . | H | α-helix | trans | -60.7 | -44.1 | 177.4 | 178.1 | 58.6 | 0 | 0 | 0 | 111.7 | F119 C199 G200 A205 L206 L207 L243 L244 M247 W266 | F119-L203 HydrophobicContact CB-CD1 4.14Å; F119-L203 HydrophobicContact CD1-CD2 4.46Å; F119-L203 HydrophobicContact CD2-CB 3.82Å; F119-L203 HydrophobicContact CD2-CD1 3.87Å; F119-L203 HydrophobicContact CD2-CD2 4.04Å; F119-L203 HydrophobicContact CD2-CG 4.11Å; F119-L203 HydrophobicContact CE1-CD2 4.26Å; F119-L203 HydrophobicContact CE2-CB 3.81Å; F119-L203 HydrophobicContact CE2-CD1 4.47Å; F119-L203 HydrophobicContact CE2-CD2 3.81Å; F119-L203 HydrophobicContact CE2-CG 4.23Å; F119-L203 HydrophobicContact CG-CD1 3.98Å; F119-L203 HydrophobicContact CG-CD2 4.35Å; F119-L203 HydrophobicContact CZ-CD2 3.93Å; C199-L203 WeakPolarHBondContact O-CB 3.32Å; C199-L203 PolarHBondContact O-N 3.31Å; G200-L203 PolarHBondContact O-N 3.02Å; L203-A205 VanDerWaalsContact C-N 3.32Å; L203-A205 PolarHBondContact O-N 3.14Å; L203-L206 PolarHBondContact O-N 3.18Å; L203-L207 HydrophobicContact CD1-CD1 3.72Å; L203-L207 HydrophobicContact CD1-CG 4.13Å; L203-L207 HydrophobicContact CG-CD1 3.84Å; L203-L207 WeakPolarHBondContact O-CD1 3.39Å; L203-L207 WeakPolarHBondContact O-CG 3.48Å; L203-L207 PolarHBondContact O-N 3.3Å; L203-L207 VanDerWaalsContact O-N 3.14Å; L203-L243 HydrophobicContact CD2-CD2 3.88Å; L203-L243 HydrophobicContact CD2-CG 4.42Å; L203-L244 HydrophobicContact CB-CD2 4.04Å; L203-L244 HydrophobicContact CD2-CD2 3.95Å; L203-L244 HydrophobicContact CD2-CG 4.43Å; L203-L244 HydrophobicContact CG-CD2 3.9Å; L203-M247 HydrophobicContact CD2-SD 4.49Å; L203-W266 HydrophobicContact CD1-CH2 3.78Å; L203-W266 HydrophobicContact CD1-CZ3 3.9Å; L203-W266 HydrophobicContact CD2-CZ3 4.07Å |
| 204 | Y | 96.7 | Very high | 94.2 | Very high | 12 Ų | 12 | 10.7 Ų | 10.7 | 5% | 0.047 | 7% | 0.067 | C | C | . | . | H | α-helix | trans | -56.1 | -47.9 | 173.5 | 179.9 | -79.9 | 0 | 0 | 0 | 110.8 | G200 I202 L206 L207 V208 A210 L211 P212 F230 H231 L244 | G200-Y204 PolarHBondContact O-N 3.36Å; I202-Y204 PolarHBondContact O-N 3.49Å; Y204-L206 PolarHBondContact O-N 3.14Å; Y204-L207 PolarHBondContact O-N 3.3Å; Y204-V208 HydrophobicContact CD1-CB 4.32Å; Y204-V208 HydrophobicContact CD1-CG2 4.22Å; Y204-V208 HydrophobicContact CD2-CG2 4.14Å; Y204-V208 HydrophobicContact CE1-CB 3.98Å; Y204-V208 HydrophobicContact CE1-CG1 4.2Å; Y204-V208 HydrophobicContact CE1-CG2 3.99Å; Y204-V208 HydrophobicContact CE2-CG2 3.9Å; Y204-V208 HydrophobicContact CG-CG2 4.29Å; Y204-V208 WeakPolarHBondContact O-CB 3.21Å; Y204-V208 WeakPolarHBondContact O-CG2 3.35Å; Y204-V208 PolarHBondContact O-N 3.47Å; Y204-A210 VanDerWaalsContact CD1-O 3.26Å; Y204-A210 WeakPolarHBondContact CD1-O 3.32Å; Y204-A210 HydrophobicContact CE1-CB 4.12Å; Y204-A210 VanDerWaalsContact CE1-O 3.27Å; Y204-A210 WeakPolarHBondContact CE1-O 3.35Å; Y204-L211 WeakPolarHBondContact CE1-O 3.22Å; Y204-P212 HydrophobicContact CD1-CB 3.89Å; Y204-P212 VanDerWaalsContact CD1-CD 3.48Å; Y204-P212 HydrophobicContact CD1-CG 4.08Å; Y204-P212 HydrophobicContact CD2-CB 4.11Å; Y204-P212 HydrophobicContact CE1-CB 4.01Å; Y204-P212 VanDerWaalsContact CE1-N 3.3Å; Y204-P212 HydrophobicContact CE2-CB 4.22Å; Y204-P212 HydrophobicContact CG-CB 3.95Å; Y204-P212 HydrophobicContact CG-CG 4.21Å; Y204-F230 HydrophobicContact CD2-CD2 4.03Å; Y204-F230 HydrophobicContact CD2-CE2 4.16Å; Y204-F230 AromaticContact CE2-CD2 3.91Å; Y204-F230 HydrophobicContact CE2-CD2 3.91Å; Y204-F230 HydrophobicContact CE2-CE2 4.41Å; Y204-H231 WeakPolarHBondContact CE2-O 3.5Å; Y204-H231 PolarHBondContact OH-O 2.97Å; Y204-L244 HydrophobicContact CD2-CD1 4.39Å |
| 205 | A | 95 | Very high | 94.1 | Very high | 0 Ų | 0 | 12.3 Ų | 12.3 | 0% | 0 | 7% | 0.074 | C | C | . | . | H | α-helix | trans | -61.2 | -43.2 | -179.6 | 0 | 0 | 0 | 0 | 0 | 113 | F101 L104 V201 I202 L203 L207 G209 A210 L211 | F101-A205 HydrophobicContact CE1-CB 3.87Å; F101-A205 HydrophobicContact CZ-CB 3.77Å; L104-A205 HydrophobicContact CD2-CB 4.49Å; L104-A205 WeakPolarHBondContact CD2-O 3.23Å; V201-A205 PolarHBondContact O-N 3.19Å; I202-A205 WeakPolarHBondContact O-CB 3.5Å; I202-A205 PolarHBondContact O-N 3.08Å; I202-A205 VanDerWaalsContact O-N 3.16Å; L203-A205 VanDerWaalsContact C-N 3.32Å; L203-A205 PolarHBondContact O-N 3.14Å; A205-L207 VanDerWaalsContact C-N 3.34Å; A205-L207 PolarHBondContact O-N 3.48Å; A205-G209 PolarHBondContact O-N 2.82Å; A205-A210 VanDerWaalsContact CA-O 3.31Å; A205-A210 WeakPolarHBondContact CA-O 3.49Å; A205-L211 HydrophobicContact CB-CD2 4.3Å |
| 206 | L | 94.8 | Very high | 93.8 | Very high | 0 Ų | 0 | 19.2 Ų | 19.2 | 0% | 0 | 11% | 0.111 | C | C | . | . | H | α-helix | trans | -62.3 | -38.8 | 177.7 | -66.1 | 171.6 | 0 | 0 | 0 | 112.8 | L100 L104 L110 A115 F118 I202 L203 Y204 | L100-L206 HydrophobicContact CD1-CD2 4.19Å; L100-L206 HydrophobicContact CD2-CD1 4.12Å; L100-L206 HydrophobicContact CD2-CD2 3.71Å; L100-L206 HydrophobicContact CD2-CG 4.48Å; L100-L206 HydrophobicContact CG-CD2 3.86Å; L104-L206 HydrophobicContact CD2-CD2 4.47Å; L110-L206 WeakPolarHBondContact CB-O 3.46Å; L110-L206 HydrophobicContact CD1-CB 4.27Å; L110-L206 HydrophobicContact CD1-CD2 3.77Å; L110-L206 PolarHBondContact N-O 3.27Å; A115-L206 HydrophobicContact CB-CB 4.27Å; F118-L206 HydrophobicContact CB-CD1 4.45Å; I202-L206 HydrophobicContact CG2-CD1 4.11Å; I202-L206 HydrophobicContact CG2-CG 4.45Å; I202-L206 WeakPolarHBondContact O-CG 3.38Å; I202-L206 PolarHBondContact O-N 2.98Å; L203-L206 PolarHBondContact O-N 3.18Å; Y204-L206 PolarHBondContact O-N 3.14Å |
| 207 | L | 95.2 | Very high | 93.3 | Very high | 7 Ų | 7 | 21.4 Ų | 21.4 | 4% | 0.037 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -81.5 | -40.6 | -176.9 | -70.4 | 165.6 | 0 | 0 | 0 | 113.5 | P112 A115 L203 Y204 A205 C240 L244 W266 | P112-L207 HydrophobicContact CB-CD2 4.31Å; P112-L207 HydrophobicContact CG-CD2 4.44Å; A115-L207 HydrophobicContact CB-CD2 3.57Å; A115-L207 HydrophobicContact CB-CG 4.06Å; L203-L207 HydrophobicContact CD1-CD1 3.72Å; L203-L207 HydrophobicContact CD1-CG 4.13Å; L203-L207 HydrophobicContact CG-CD1 3.84Å; L203-L207 WeakPolarHBondContact O-CD1 3.39Å; L203-L207 WeakPolarHBondContact O-CG 3.48Å; L203-L207 PolarHBondContact O-N 3.3Å; L203-L207 VanDerWaalsContact O-N 3.14Å; Y204-L207 PolarHBondContact O-N 3.3Å; A205-L207 VanDerWaalsContact C-N 3.34Å; A205-L207 PolarHBondContact O-N 3.48Å; L207-C240 WeakPolarHBondContact CD1-SG 3.49Å; L207-L244 HydrophobicContact CD1-CD1 4.26Å; L207-W266 HydrophobicContact CD2-CZ2 4.33Å |
| 208 | V | 94.8 | Very high | 92.6 | Very high | 20 Ų | 20 | 22.3 Ų | 22.3 | 12% | 0.121 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -91.4 | -39.4 | -171 | 179.4 | 0 | 0 | 0 | 0 | 112.1 | Y204 A210 P233 F235 V236 | Y204-V208 HydrophobicContact CD1-CB 4.32Å; Y204-V208 HydrophobicContact CD1-CG2 4.22Å; Y204-V208 HydrophobicContact CD2-CG2 4.14Å; Y204-V208 HydrophobicContact CE1-CB 3.98Å; Y204-V208 HydrophobicContact CE1-CG1 4.2Å; Y204-V208 HydrophobicContact CE1-CG2 3.99Å; Y204-V208 HydrophobicContact CE2-CG2 3.9Å; Y204-V208 HydrophobicContact CG-CG2 4.29Å; Y204-V208 WeakPolarHBondContact O-CB 3.21Å; Y204-V208 WeakPolarHBondContact O-CG2 3.35Å; Y204-V208 PolarHBondContact O-N 3.47Å; V208-A210 HydrophobicContact CB-CB 4.38Å; V208-A210 HydrophobicContact CG1-CB 3.6Å; V208-P233 HydrophobicContact CG1-CG 3.88Å; V208-P233 HydrophobicContact CG2-CG 4.15Å; V208-F235 HydrophobicContact CG1-CZ 4.3Å; V208-V236 HydrophobicContact CG2-CG2 4.31Å |
| 209 | G | 92.3 | Very high | 92.2 | Very high | 17 Ų | 17 | 28.9 Ų | 28.9 | 18% | 0.175 | 15% | 0.152 | C | C | . | . | S | Bend | trans | 70.7 | 39.2 | -160 | 0 | 0 | 0 | 0 | 0 | 111.9 | G108 A205 W1033 | G108-G209 WeakPolarHBondContact O-CA 3.45Å; A205-G209 PolarHBondContact O-N 2.82Å; G209-W1033 VanDerWaalsContact C-CH2 3.41Å; G209-W1033 VanDerWaalsContact C-CZ3 3.41Å; G209-W1033 VanDerWaalsContact CA-CZ3 3.46Å |
| 210 | A | 92.5 | Very high | 92 | Very high | 27 Ų | 27 | 32.4 Ų | 32.4 | 22% | 0.223 | 17% | 0.17 | C | C | . | . | S | Bend | trans | -150.2 | 162.6 | 171 | 0 | 0 | 0 | 0 | 0 | 108.8 | Y204 A205 V208 W1033 | Y204-A210 VanDerWaalsContact CD1-O 3.26Å; Y204-A210 WeakPolarHBondContact CD1-O 3.32Å; Y204-A210 HydrophobicContact CE1-CB 4.12Å; Y204-A210 VanDerWaalsContact CE1-O 3.27Å; Y204-A210 WeakPolarHBondContact CE1-O 3.35Å; A205-A210 VanDerWaalsContact CA-O 3.31Å; A205-A210 WeakPolarHBondContact CA-O 3.49Å; V208-A210 HydrophobicContact CB-CB 4.38Å; V208-A210 HydrophobicContact CG1-CB 3.6Å; A210-W1033 VanDerWaalsContact C-CZ2 3.5Å |
| 211 | L | 92.8 | Very high | 91.7 | Very high | 30 Ų | 30 | 32.4 Ų | 32.4 | 16% | 0.157 | 17% | 0.171 | C | C | . | . | trans | -87.4 | 151.7 | 162.3 | -72.3 | 173.2 | 0 | 0 | 0 | 110.1 | H177 Y178 V201 Y204 A205 F213 D214 | H177-L211 HydrophobicContact CB-CD1 4.23Å; Y178-L211 HydrophobicContact CE1-CD2 3.91Å; V201-L211 HydrophobicContact CG1-CD2 4.24Å; Y204-L211 WeakPolarHBondContact CE1-O 3.22Å; A205-L211 HydrophobicContact CB-CD2 4.3Å; L211-F213 VanDerWaalsContact C-N 3.32Å; L211-D214 HydrophobicContact CB-CB 4.38Å | ||
| 212 | P | 94 | Very high | 91.4 | Very high | 13 Ų | 13 | 34.3 Ų | 34.3 | 8% | 0.084 | 18% | 0.181 | C | C | . | . | S | Bend | trans | -73.6 | -29.7 | 176.7 | 28.7 | -31 | 0 | 0 | 0 | 111.4 | V201 Y204 F230 I248 | V201-P212 HydrophobicContact CB-CG 4.3Å; V201-P212 HydrophobicContact CG1-CG 3.92Å; V201-P212 HydrophobicContact CG2-CG 4.06Å; Y204-P212 HydrophobicContact CD1-CB 3.89Å; Y204-P212 VanDerWaalsContact CD1-CD 3.48Å; Y204-P212 HydrophobicContact CD1-CG 4.08Å; Y204-P212 HydrophobicContact CD2-CB 4.11Å; Y204-P212 HydrophobicContact CE1-CB 4.01Å; Y204-P212 VanDerWaalsContact CE1-N 3.3Å; Y204-P212 HydrophobicContact CE2-CB 4.22Å; Y204-P212 HydrophobicContact CG-CB 3.95Å; Y204-P212 HydrophobicContact CG-CG 4.21Å; P212-F230 HydrophobicContact CB-CB 3.77Å; P212-F230 HydrophobicContact CB-CD2 3.92Å; P212-F230 HydrophobicContact CB-CG 3.94Å; P212-F230 WeakPolarHBondContact O-CB 3.49Å; P212-I248 HydrophobicContact CG-CD1 4.37Å |
| 213 | F | 93.7 | Very high | 91.1 | Very high | 3 Ų | 3 | 37.1 Ų | 37.1 | 1% | 0.013 | 19% | 0.193 | C | C | . | . | S | Bend | trans | -128.8 | 123.4 | 174.9 | -43.7 | -71.7 | 0 | 0 | 0 | 108.8 | W197 L211 L221 K224 V225 F230 I248 | W197-F213 AromaticContact CH2-CE2 3.94Å; W197-F213 HydrophobicContact CH2-CE2 3.94Å; W197-F213 AromaticContact CH2-CZ 3.96Å; W197-F213 HydrophobicContact CH2-CZ 3.96Å; W197-F213 HydrophobicContact CZ2-CD2 4.27Å; W197-F213 AromaticContact CZ2-CE2 3.43Å; W197-F213 HydrophobicContact CZ2-CE2 3.43Å; W197-F213 VanDerWaalsContact CZ2-CE2 3.43Å; W197-F213 AromaticContact CZ2-CZ 3.94Å; W197-F213 HydrophobicContact CZ2-CZ 3.94Å; L211-F213 VanDerWaalsContact C-N 3.32Å; F213-L221 HydrophobicContact CB-CD1 3.94Å; F213-K224 HydrophobicContact CD1-CB 4.36Å; F213-V225 HydrophobicContact CB-CG2 3.66Å; F213-V225 HydrophobicContact CD2-CG2 3.86Å; F213-V225 HydrophobicContact CG-CG2 3.75Å; F213-F230 HydrophobicContact CD1-CB 4.39Å; F213-F230 HydrophobicContact CE1-CB 3.84Å; F213-F230 HydrophobicContact CE1-CD1 4.13Å; F213-F230 HydrophobicContact CE1-CG 4.4Å; F213-F230 HydrophobicContact CZ-CB 4.18Å; F213-F230 AromaticContact CZ-CD1 3.8Å; F213-F230 HydrophobicContact CZ-CD1 3.8Å; F213-F230 HydrophobicContact CZ-CG 4.29Å; F213-I248 HydrophobicContact CE2-CG2 3.61Å; F213-I248 HydrophobicContact CZ-CG2 3.66Å |
| 214 | D | 89.8 | Confident | 91 | Very high | 82 Ų | 82 | 41.1 Ų | 41.1 | 44% | 0.439 | 21% | 0.211 | S | C | . | . | trans | -151.6 | 139.8 | -179.7 | -163.5 | -7.6 | 0 | 0 | 0 | 109.1 | H177 L211 K224 | H177-D214 IonicContact NE2-OD1 2.96Å; L211-D214 HydrophobicContact CB-CB 4.38Å; D214-K224 PolarHBondContact O-NZ 2.78Å | ||
| 215 | D | 89.6 | Confident | 90.8 | Very high | 38 Ų | 38 | 40.5 Ų | 40.5 | 20% | 0.203 | 21% | 0.209 | C | C | . | . | trans | -169.1 | 132.5 | 175.8 | -154.3 | -76 | 0 | 0 | 0 | 111.8 | N217 N220 L221 K224 | D215-N217 PolarHBondContact O-N 3.27Å; D215-N217 PolarHBondContact OD1-N 2.95Å; D215-N220 HydrophobicContact CB-CB 4.01Å; D215-N220 WeakPolarHBondContact OD1-CB 3.37Å; D215-N220 PolarHBondContact OD1-ND2 2.7Å; D215-N220 VanDerWaalsContact OD2-CB 3.29Å; D215-N220 WeakPolarHBondContact OD2-CB 3.25Å; D215-L221 HydrophobicContact CB-CB 4.04Å; D215-K224 HydrophobicContact CB-CD 4.21Å; D215-K224 WeakPolarHBondContact OD2-CE 3.44Å; D215-K224 IonicContact OD2-NZ 2.68Å; D215-K224 PolarHBondContact OD2-NZ 3.5Å | ||
| 216 | D | 86 | Confident | 90.6 | Very high | 145 Ų | 145 | 43.4 Ų | 43.4 | 78% | 0.775 | 22% | 0.221 | S | C | * | . | S | Bend | trans | -57.2 | -34.3 | 175 | -68.2 | -62.5 | 0 | 0 | 0 | 112.8 | L218 | D216-L218 PolarHBondContact O-N 3.29Š|
| 217 | N | 84.8 | Confident | 90.5 | Very high | 48 Ų | 48 | 50.4 Ų | 50.4 | 26% | 0.257 | 25% | 0.252 | S | S | . | . | S | Bend | trans | -90.6 | 104.7 | 172.4 | 174.9 | 24.3 | 0 | 0 | 0 | 109.9 | D215 R219 N220 L221 | D215-N217 PolarHBondContact O-N 3.27Å; D215-N217 PolarHBondContact OD1-N 2.95Å; N217-R219 PolarHBondContact O-N 3.47Å; N217-R219 PolarHBondContact OD1-N 2.86Å; N217-N220 HydrophobicContact CB-CB 4.3Å; N217-N220 VanDerWaalsContact ND2-CG 3.29Å; N217-N220 PolarHBondContact ND2-OD1 3.09Å; N217-N220 WeakPolarHBondContact O-CA 3.46Å; N217-N220 VanDerWaalsContact O-CB 3.31Å; N217-N220 WeakPolarHBondContact O-CB 3.27Å; N217-N220 PolarHBondContact O-N 2.97Å; N217-L221 PolarHBondContact O-N 3.35Å |
| 218 | L | 81.1 | Confident | 90.4 | Very high | 19 Ų | 19 | 50.7 Ų | 50.7 | 10% | 0.099 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -52.2 | -24.7 | 175.7 | 172.5 | 60.7 | 0 | 0 | 0 | 114.4 | P176 D216 L221 L222 K974 L978 | P176-L218 HydrophobicContact CB-CD1 3.8Å; P176-L218 HydrophobicContact CG-CD1 3.44Å; P176-L218 VanDerWaalsContact CG-CD1 3.44Å; P176-L218 HydrophobicContact CG-CD2 4.43Å; D216-L218 PolarHBondContact O-N 3.29Å; L218-L221 HydrophobicContact CD1-CB 4.26Å; L218-L221 HydrophobicContact CD1-CD2 3.77Å; L218-L221 HydrophobicContact CD1-CG 4.42Å; L218-L221 PolarHBondContact O-N 3.46Å; L218-L222 HydrophobicContact CD1-CD1 4.08Å; L218-L222 HydrophobicContact CD1-CD2 4.11Å; L218-L222 HydrophobicContact CD1-CG 3.77Å; L218-L222 HydrophobicContact CG-CD1 4.12Å; L218-L222 HydrophobicContact CG-CG 4.31Å; L218-L222 WeakPolarHBondContact O-CG 3.18Å; L218-L222 PolarHBondContact O-N 2.82Å; L218-K974 HydrophobicContact CB-CD 4.46Å; L218-K974 HydrophobicContact CD2-CD 3.64Å; L218-K974 HydrophobicContact CD2-CG 3.81Å; L218-K974 HydrophobicContact CG-CD 4.19Å; L218-L978 HydrophobicContact CD2-CD1 3.27Å |
| 219 | R | 86.2 | Confident | 90.2 | Very high | 143 Ų | 143 | 55.4 Ų | 55.4 | 54% | 0.54 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -67.2 | -43.9 | 171.5 | -173.4 | 64.1 | -166.9 | -131.6 | 4.3 | 111.4 | N217 L221 L222 E223 | N217-R219 PolarHBondContact O-N 3.47Å; N217-R219 PolarHBondContact OD1-N 2.86Å; R219-L221 VanDerWaalsContact C-N 3.33Å; R219-L221 PolarHBondContact O-N 2.82Å; R219-L222 PolarHBondContact O-N 2.93Å; R219-E223 IonicContact CZ-OE1 3.92Å; R219-E223 IonicContact NE-OE1 2.74Å; R219-E223 PolarHBondContact NE-OE1 3.41Å; R219-E223 IonicContact NH2-OE1 2.65Å; R219-E223 PolarHBondContact NH2-OE1 2.87Å; R219-E223 WeakPolarHBondContact O-CG 3.47Å; R219-E223 PolarHBondContact O-N 2.9Å |
| 220 | N | 89.9 | Confident | 90.3 | Very high | 75 Ų | 75 | 56.4 Ų | 56.4 | 40% | 0.401 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -62.1 | -39.4 | 174.2 | -61.8 | -6.7 | 0 | 0 | 0 | 111.7 | D215 N217 E223 K224 | D215-N220 HydrophobicContact CB-CB 4.01Å; D215-N220 WeakPolarHBondContact OD1-CB 3.37Å; D215-N220 PolarHBondContact OD1-ND2 2.7Å; D215-N220 VanDerWaalsContact OD2-CB 3.29Å; D215-N220 WeakPolarHBondContact OD2-CB 3.25Å; N217-N220 HydrophobicContact CB-CB 4.3Å; N217-N220 VanDerWaalsContact ND2-CG 3.29Å; N217-N220 PolarHBondContact ND2-OD1 3.09Å; N217-N220 WeakPolarHBondContact O-CA 3.46Å; N217-N220 VanDerWaalsContact O-CB 3.31Å; N217-N220 WeakPolarHBondContact O-CB 3.27Å; N217-N220 PolarHBondContact O-N 2.97Å; N220-E223 PolarHBondContact O-N 3.25Å; N220-K224 WeakPolarHBondContact O-CB 3.39Å; N220-K224 WeakPolarHBondContact O-CG 3.35Å; N220-K224 PolarHBondContact O-N 2.99Å |
| 221 | L | 89.4 | Confident | 90.4 | Very high | 1 Ų | 1 | 61.7 Ų | 61.7 | 1% | 0.005 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -58.7 | -49.3 | 174.1 | 177.6 | 67.1 | 0 | 0 | 0 | 111.1 | P176 H177 F213 D215 N217 L218 R219 E223 K224 V225 | P176-L221 HydrophobicContact CB-CD2 4.4Å; P176-L221 HydrophobicContact CG-CD2 4.3Å; H177-L221 VanDerWaalsContact CD2-CD2 3.46Å; H177-L221 WeakPolarHBondContact CD2-CD2 3.39Å; H177-L221 VanDerWaalsContact NE2-CD2 3.32Å; H177-L221 WeakPolarHBondContact NE2-CD2 3.43Å; F213-L221 HydrophobicContact CB-CD1 3.94Å; D215-L221 HydrophobicContact CB-CB 4.04Å; N217-L221 PolarHBondContact O-N 3.35Å; L218-L221 HydrophobicContact CD1-CB 4.26Å; L218-L221 HydrophobicContact CD1-CD2 3.77Å; L218-L221 HydrophobicContact CD1-CG 4.42Å; L218-L221 PolarHBondContact O-N 3.46Å; R219-L221 VanDerWaalsContact C-N 3.33Å; R219-L221 PolarHBondContact O-N 2.82Å; L221-E223 VanDerWaalsContact C-N 3.29Å; L221-E223 PolarHBondContact O-N 2.9Å; L221-K224 WeakPolarHBondContact O-CB 3.29Å; L221-K224 PolarHBondContact O-N 3.47Å; L221-K224 VanDerWaalsContact O-N 3.12Å; L221-V225 HydrophobicContact CD1-CG2 4.31Å; L221-V225 WeakPolarHBondContact O-CG2 3.42Å; L221-V225 PolarHBondContact O-N 2.87Å |
| 222 | L | 88.9 | Confident | 90.5 | Very high | 40 Ų | 40 | 61.1 Ų | 61.1 | 21% | 0.209 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -62.4 | -36.2 | 178.2 | -64.4 | 167.4 | 0 | 0 | 0 | 111.4 | P176 I184 L218 R219 K226 | P176-L222 HydrophobicContact CB-CD2 3.82Å; I184-L222 HydrophobicContact CB-CD2 4.31Å; I184-L222 HydrophobicContact CD1-CD2 3.92Å; I184-L222 HydrophobicContact CG1-CD2 3.76Å; I184-L222 HydrophobicContact CG2-CB 4.34Å; I184-L222 HydrophobicContact CG2-CD2 3.73Å; L218-L222 HydrophobicContact CD1-CD1 4.08Å; L218-L222 HydrophobicContact CD1-CD2 4.11Å; L218-L222 HydrophobicContact CD1-CG 3.77Å; L218-L222 HydrophobicContact CG-CD1 4.12Å; L218-L222 HydrophobicContact CG-CG 4.31Å; L218-L222 WeakPolarHBondContact O-CG 3.18Å; L218-L222 PolarHBondContact O-N 2.82Å; R219-L222 PolarHBondContact O-N 2.93Å; L222-K226 VanDerWaalsContact O-CB 3.26Å; L222-K226 WeakPolarHBondContact O-CB 3.38Å; L222-K226 WeakPolarHBondContact O-CG 3.48Å; L222-K226 PolarHBondContact O-N 2.87Å |
| 223 | E | 90.4 | Very high | 90.5 | Very high | 59 Ų | 59 | 61.3 Ų | 61.3 | 28% | 0.276 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -69.2 | -37 | 172.2 | -62.3 | -48.4 | 147.4 | 0 | 0 | 113.2 | R219 N220 L221 K227 | R219-E223 IonicContact CZ-OE1 3.92Å; R219-E223 IonicContact NE-OE1 2.74Å; R219-E223 PolarHBondContact NE-OE1 3.41Å; R219-E223 IonicContact NH2-OE1 2.65Å; R219-E223 PolarHBondContact NH2-OE1 2.87Å; R219-E223 WeakPolarHBondContact O-CG 3.47Å; R219-E223 PolarHBondContact O-N 2.9Å; N220-E223 PolarHBondContact O-N 3.25Å; L221-E223 VanDerWaalsContact C-N 3.29Å; L221-E223 PolarHBondContact O-N 2.9Å; E223-K227 WeakPolarHBondContact O-CB 3.22Å; E223-K227 WeakPolarHBondContact O-CD 3.39Å; E223-K227 WeakPolarHBondContact O-CG 3.02Å; E223-K227 PolarHBondContact O-N 2.71Å |
| 224 | K | 92.3 | Very high | 90.4 | Very high | 84 Ų | 84 | 65.9 Ų | 65.9 | 37% | 0.365 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -61.7 | -48.9 | 174.2 | -81.8 | 166.7 | 164.3 | 169.6 | 0 | 110.7 | F213 D214 D215 N220 L221 K227 G228 | F213-K224 HydrophobicContact CD1-CB 4.36Å; D214-K224 PolarHBondContact O-NZ 2.78Å; D215-K224 HydrophobicContact CB-CD 4.21Å; D215-K224 WeakPolarHBondContact OD2-CE 3.44Å; D215-K224 IonicContact OD2-NZ 2.68Å; D215-K224 PolarHBondContact OD2-NZ 3.5Å; N220-K224 WeakPolarHBondContact O-CB 3.39Å; N220-K224 WeakPolarHBondContact O-CG 3.35Å; N220-K224 PolarHBondContact O-N 2.99Å; L221-K224 WeakPolarHBondContact O-CB 3.29Å; L221-K224 PolarHBondContact O-N 3.47Å; L221-K224 VanDerWaalsContact O-N 3.12Å; K224-K227 PolarHBondContact O-N 2.97Å; K224-G228 PolarHBondContact O-N 3.34Å; K224-G228 VanDerWaalsContact O-N 3.08Å |
| 225 | V | 92.6 | Very high | 90.6 | Very high | 0 Ų | 0 | 67 Ų | 67 | 0% | 0 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -63.3 | -48 | 176.7 | 175.3 | 0 | 0 | 0 | 0 | 110.8 | P181 I184 W197 F213 L221 K227 G228 | P181-V225 HydrophobicContact CG-CG1 4.33Å; I184-V225 HydrophobicContact CD1-CB 4.02Å; I184-V225 HydrophobicContact CD1-CG1 3.45Å; I184-V225 VanDerWaalsContact CD1-CG1 3.45Å; I184-V225 HydrophobicContact CD1-CG2 4.41Å; W197-V225 HydrophobicContact CZ2-CG1 3.91Å; F213-V225 HydrophobicContact CB-CG2 3.66Å; F213-V225 HydrophobicContact CD2-CG2 3.86Å; F213-V225 HydrophobicContact CG-CG2 3.75Å; L221-V225 HydrophobicContact CD1-CG2 4.31Å; L221-V225 WeakPolarHBondContact O-CG2 3.42Å; L221-V225 PolarHBondContact O-N 2.87Å; V225-K227 PolarHBondContact O-N 2.8Å; V225-K227 VanDerWaalsContact O-N 3.14Å; V225-G228 PolarHBondContact O-N 2.89Å |
| 226 | K | 91.8 | Very high | 90.8 | Very high | 61 Ų | 61 | 65.6 Ų | 65.6 | 27% | 0.265 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -58.4 | -27.4 | 177.2 | -78.5 | -178.9 | -177.1 | -162.8 | 0 | 114.1 | I184 R185 L222 | I184-K226 HydrophobicContact CG2-CD 4.21Å; I184-K226 VanDerWaalsContact CG2-CE 3.46Å; I184-K226 HydrophobicContact CG2-CG 3.74Å; R185-K226 HydrophobicContact CG-CD 4.16Å; R185-K226 HydrophobicContact CG-CG 4.36Å; L222-K226 VanDerWaalsContact O-CB 3.26Å; L222-K226 WeakPolarHBondContact O-CB 3.38Å; L222-K226 WeakPolarHBondContact O-CG 3.48Å; L222-K226 PolarHBondContact O-N 2.87Å |
| 227 | K | 93 | Very high | 91.1 | Very high | 147 Ų | 147 | 61.3 Ų | 61.3 | 64% | 0.639 | 32% | 0.316 | S | S | * | . | H | α-helix | trans | -84.7 | -22.4 | 174.5 | -72.7 | 172.2 | -178 | -175.8 | 0 | 113.7 | E223 K224 V225 V229 | E223-K227 WeakPolarHBondContact O-CB 3.22Å; E223-K227 WeakPolarHBondContact O-CD 3.39Å; E223-K227 WeakPolarHBondContact O-CG 3.02Å; E223-K227 PolarHBondContact O-N 2.71Å; K224-K227 PolarHBondContact O-N 2.97Å; V225-K227 PolarHBondContact O-N 2.8Å; V225-K227 VanDerWaalsContact O-N 3.14Å; K227-V229 HydrophobicContact CB-CG2 4.4Å; K227-V229 PolarHBondContact O-N 3.18Å; K227-V229 VanDerWaalsContact O-N 3.12Å |
| 228 | G | 91.8 | Very high | 91.5 | Very high | 13 Ų | 13 | 64.2 Ų | 64.2 | 13% | 0.134 | 34% | 0.335 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 62.4 | 12.9 | -178.2 | 0 | 0 | 0 | 0 | 0 | 115.9 | K224 V225 F230 | K224-G228 PolarHBondContact O-N 3.34Å; K224-G228 VanDerWaalsContact O-N 3.08Å; V225-G228 PolarHBondContact O-N 2.89Å; G228-F230 WeakPolarHBondContact O-CD1 3.45Å; G228-F230 PolarHBondContact O-N 3.08Å |
| 229 | V | 92.1 | Very high | 92.1 | Very high | 119 Ų | 119 | 67 Ų | 67 | 72% | 0.721 | 35% | 0.35 | S | S | * | . | trans | -87.7 | 110.1 | -178.5 | -178.6 | 0 | 0 | 0 | 0 | 110.1 | K227 | K227-V229 HydrophobicContact CB-CG2 4.4Å; K227-V229 PolarHBondContact O-N 3.18Å; K227-V229 VanDerWaalsContact O-N 3.12Å | ||
| 230 | F | 94.3 | Very high | 92.6 | Very high | 37 Ų | 37 | 60.2 Ų | 60.2 | 16% | 0.162 | 33% | 0.325 | C | S | . | . | trans | -128.4 | 153.7 | 174.5 | 64.2 | -75.5 | 0 | 0 | 0 | 111.3 | Y204 P212 F213 G228 I232 I248 | Y204-F230 HydrophobicContact CD2-CD2 4.03Å; Y204-F230 HydrophobicContact CD2-CE2 4.16Å; Y204-F230 AromaticContact CE2-CD2 3.91Å; Y204-F230 HydrophobicContact CE2-CD2 3.91Å; Y204-F230 HydrophobicContact CE2-CE2 4.41Å; P212-F230 HydrophobicContact CB-CB 3.77Å; P212-F230 HydrophobicContact CB-CD2 3.92Å; P212-F230 HydrophobicContact CB-CG 3.94Å; P212-F230 WeakPolarHBondContact O-CB 3.49Å; F213-F230 HydrophobicContact CD1-CB 4.39Å; F213-F230 HydrophobicContact CE1-CB 3.84Å; F213-F230 HydrophobicContact CE1-CD1 4.13Å; F213-F230 HydrophobicContact CE1-CG 4.4Å; F213-F230 HydrophobicContact CZ-CB 4.18Å; F213-F230 AromaticContact CZ-CD1 3.8Å; F213-F230 HydrophobicContact CZ-CD1 3.8Å; F213-F230 HydrophobicContact CZ-CG 4.29Å; G228-F230 WeakPolarHBondContact O-CD1 3.45Å; G228-F230 PolarHBondContact O-N 3.08Å; F230-I232 HydrophobicContact CD2-CD1 4.43Å; F230-I232 HydrophobicContact CD2-CG1 3.8Å; F230-I232 HydrophobicContact CE2-CD1 3.6Å; F230-I232 HydrophobicContact CE2-CG1 3.45Å; F230-I232 VanDerWaalsContact CE2-CG1 3.45Å; F230-I232 HydrophobicContact CZ-CD1 4.11Å; F230-I232 HydrophobicContact CZ-CG1 4.37Å; F230-I248 HydrophobicContact CD1-CG2 4.06Å; F230-I248 HydrophobicContact CE1-CB 3.66Å; F230-I248 HydrophobicContact CE1-CD1 4.3Å; F230-I248 HydrophobicContact CE1-CG2 3.64Å; F230-I248 HydrophobicContact CE2-CD1 3.95Å; F230-I248 HydrophobicContact CZ-CB 3.77Å; F230-I248 HydrophobicContact CZ-CD1 3.82Å; F230-I248 HydrophobicContact CZ-CG1 4.26Å; F230-I248 HydrophobicContact CZ-CG2 4.17Å | ||
| 231 | H | 93.5 | Very high | 92.8 | Very high | 139 Ų | 139 | 58.1 Ų | 58.1 | 64% | 0.644 | 31% | 0.313 | S | S | * | . | P | Polyproline II helix | trans | -94.1 | 129 | 176.5 | 171.6 | 77 | 0 | 0 | 0 | 110.2 | Y204 | Y204-H231 WeakPolarHBondContact CE2-O 3.5Å; Y204-H231 PolarHBondContact OH-O 2.97Å |
| 232 | I | 94.2 | Very high | 93.1 | Very high | 17 Ų | 17 | 60.9 Ų | 60.9 | 9% | 0.087 | 33% | 0.332 | C | S | . | . | P | Polyproline II helix | trans | -102.9 | 118.6 | 172.6 | -50.4 | 178 | 0 | 0 | 0 | 109.1 | F230 V236 Q241 L244 R245 | F230-I232 HydrophobicContact CD2-CD1 4.43Å; F230-I232 HydrophobicContact CD2-CG1 3.8Å; F230-I232 HydrophobicContact CE2-CD1 3.6Å; F230-I232 HydrophobicContact CE2-CG1 3.45Å; F230-I232 VanDerWaalsContact CE2-CG1 3.45Å; F230-I232 HydrophobicContact CZ-CD1 4.11Å; F230-I232 HydrophobicContact CZ-CG1 4.37Å; I232-V236 HydrophobicContact CG2-CB 3.88Å; I232-V236 HydrophobicContact CG2-CG1 4.06Å; I232-V236 HydrophobicContact CG2-CG2 4.07Å; I232-Q241 HydrophobicContact CD1-CB 4.09Å; I232-Q241 HydrophobicContact CG2-CB 4.38Å; I232-Q241 HydrophobicContact CG2-CG 3.86Å; I232-L244 HydrophobicContact CD1-CB 4.1Å; I232-L244 HydrophobicContact CG2-CD1 4.44Å; I232-R245 HydrophobicContact CD1-CG 3.92Å |
| 233 | P | 94.1 | Very high | 93.4 | Very high | 18 Ų | 18 | 59 Ų | 59 | 12% | 0.117 | 32% | 0.322 | C | S | . | . | P | Polyproline II helix | trans | -63.2 | 141.9 | 179.2 | -25.7 | 36 | 0 | 0 | 0 | 113.4 | V208 F235 V236 | V208-P233 HydrophobicContact CG1-CG 3.88Å; V208-P233 HydrophobicContact CG2-CG 4.15Å; P233-F235 HydrophobicContact CB-CD1 3.72Å; P233-F235 HydrophobicContact CB-CE1 3.41Å; P233-F235 VanDerWaalsContact CB-CE1 3.41Å; P233-F235 HydrophobicContact CB-CE2 4.37Å; P233-F235 HydrophobicContact CB-CG 4.34Å; P233-F235 HydrophobicContact CB-CZ 3.77Å; P233-F235 HydrophobicContact CG-CE1 4.05Å; P233-F235 HydrophobicContact CG-CZ 4.06Å; P233-F235 PolarHBondContact O-N 3.47Å; P233-V236 WeakPolarHBondContact O-CB 3.41Å; P233-V236 PolarHBondContact O-N 3.31Å |
| 234 | A | 92.3 | Very high | 93.8 | Very high | 99 Ų | 99 | 56.2 Ų | 56.2 | 82% | 0.818 | 31% | 0.309 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.9 | -11.6 | -175.5 | 0 | 0 | 0 | 0 | 0 | 115.7 | V236 | A234-V236 VanDerWaalsContact C-N 3.27Š|
| 235 | F | 93.7 | Very high | 94 | Very high | 106 Ų | 106 | 58 Ų | 58 | 47% | 0.465 | 31% | 0.314 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -77.9 | -9.6 | 172.5 | 63.8 | -111 | 0 | 0 | 0 | 113.8 | V208 P233 | V208-F235 HydrophobicContact CG1-CZ 4.3Å; P233-F235 HydrophobicContact CB-CD1 3.72Å; P233-F235 HydrophobicContact CB-CE1 3.41Å; P233-F235 VanDerWaalsContact CB-CE1 3.41Å; P233-F235 HydrophobicContact CB-CE2 4.37Å; P233-F235 HydrophobicContact CB-CG 4.34Å; P233-F235 HydrophobicContact CB-CZ 3.77Å; P233-F235 HydrophobicContact CG-CE1 4.05Å; P233-F235 HydrophobicContact CG-CZ 4.06Å; P233-F235 PolarHBondContact O-N 3.47Å |
| 236 | V | 93.4 | Very high | 94.1 | Very high | 7 Ų | 7 | 59.7 Ų | 59.7 | 4% | 0.042 | 33% | 0.326 | C | S | . | . | S | Bend | trans | -83.4 | 123.8 | 173.3 | 179.6 | 0 | 0 | 0 | 0 | 108.2 | V208 I232 P233 A234 C240 Q241 L244 | V208-V236 HydrophobicContact CG2-CG2 4.31Å; I232-V236 HydrophobicContact CG2-CB 3.88Å; I232-V236 HydrophobicContact CG2-CG1 4.06Å; I232-V236 HydrophobicContact CG2-CG2 4.07Å; P233-V236 WeakPolarHBondContact O-CB 3.41Å; P233-V236 PolarHBondContact O-N 3.31Å; A234-V236 VanDerWaalsContact C-N 3.27Å; V236-C240 HydrophobicContact CG1-CB 3.68Å; V236-Q241 HydrophobicContact CB-CG 4.2Å; V236-Q241 HydrophobicContact CG1-CG 3.96Å; V236-Q241 WeakPolarHBondContact O-CG 3.46Å; V236-Q241 PolarHBondContact O-NE2 3.46Å; V236-L244 HydrophobicContact CG1-CD1 4.21Å |
| 237 | S | 93.8 | Very high | 94.3 | Very high | 55 Ų | 55 | 56.8 Ų | 56.8 | 39% | 0.385 | 31% | 0.313 | S | S | . | . | trans | -63.2 | 148.9 | -175.3 | 71.3 | 0 | 0 | 0 | 0 | 112.2 | D239 C240 Q241 | S237-D239 VanDerWaalsContact C-N 3.3Å; S237-D239 PolarHBondContact O-N 2.95Å; S237-C240 CarbonylContact O-C 3.56Å; S237-C240 WeakPolarHBondContact O-CA 3.4Å; S237-C240 VanDerWaalsContact O-CB 3.25Å; S237-C240 WeakPolarHBondContact O-CB 3.27Å; S237-C240 PolarHBondContact O-N 3.25Å; S237-Q241 WeakPolarHBondContact O-CG 3.4Å; S237-Q241 PolarHBondContact O-N 3.45Å | ||
| 238 | T | 93.5 | Very high | 94.5 | Very high | 109 Ų | 109 | 50 Ų | 50 | 67% | 0.669 | 28% | 0.284 | S | S | * | . | H | α-helix | trans | -52.6 | -43.2 | -171.4 | -45.6 | 0 | 0 | 0 | 0 | 113.3 | C240 Q241 S242 | T238-C240 VanDerWaalsContact C-N 3.3Å; T238-C240 PolarHBondContact O-N 2.85Å; T238-Q241 WeakPolarHBondContact O-CB 3.4Å; T238-Q241 PolarHBondContact O-N 2.95Å; T238-S242 PolarHBondContact O-N 2.85Å |
| 239 | D | 93.7 | Very high | 94.7 | Very high | 77 Ų | 77 | 52.4 Ų | 52.4 | 41% | 0.412 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -61.8 | -39.4 | 176.4 | -38.7 | -86 | 0 | 0 | 0 | 111.7 | S237 S242 L243 H264 W266 | S237-D239 VanDerWaalsContact C-N 3.3Å; S237-D239 PolarHBondContact O-N 2.95Å; D239-S242 WeakPolarHBondContact O-CB 3.24Å; D239-S242 PolarHBondContact O-N 2.95Å; D239-L243 PolarHBondContact O-N 3.27Å; D239-H264 PolarHBondContact O-CE1 3Å; D239-W266 HydrophobicContact CB-CB 3.91Å |
| 240 | C | 95.1 | Very high | 94.8 | Very high | 2 Ų | 2 | 48.5 Ų | 48.5 | 1% | 0.014 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -69.9 | -36.5 | 177.4 | -163.7 | 0 | 0 | 0 | 0 | 111.4 | L207 V236 S237 T238 S242 L243 L244 W266 | L207-C240 WeakPolarHBondContact CD1-SG 3.49Å; V236-C240 HydrophobicContact CG1-CB 3.68Å; S237-C240 CarbonylContact O-C 3.56Å; S237-C240 WeakPolarHBondContact O-CA 3.4Å; S237-C240 VanDerWaalsContact O-CB 3.25Å; S237-C240 WeakPolarHBondContact O-CB 3.27Å; S237-C240 PolarHBondContact O-N 3.25Å; T238-C240 VanDerWaalsContact C-N 3.3Å; T238-C240 PolarHBondContact O-N 2.85Å; C240-S242 VanDerWaalsContact C-N 3.31Å; C240-L243 PolarHBondContact O-N 3.45Å; C240-L244 WeakPolarHBondContact O-CB 3.43Å; C240-L244 VanDerWaalsContact O-CG 3.29Å; C240-L244 WeakPolarHBondContact O-CG 3.22Å; C240-L244 PolarHBondContact O-N 2.84Å; C240-W266 HydrophobicContact CB-CD2 4.05Å; C240-W266 HydrophobicContact CB-CG 3.87Å; C240-W266 VanDerWaalsContact SG-CE2 3.54Å |
| 241 | Q | 95.5 | Very high | 94.7 | Very high | 31 Ų | 31 | 48.5 Ų | 48.5 | 15% | 0.145 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -64.8 | -37 | 171 | -48.5 | -170.6 | 12.7 | 0 | 0 | 111.8 | I232 V236 S237 T238 R245 | I232-Q241 HydrophobicContact CD1-CB 4.09Å; I232-Q241 HydrophobicContact CG2-CB 4.38Å; I232-Q241 HydrophobicContact CG2-CG 3.86Å; V236-Q241 HydrophobicContact CB-CG 4.2Å; V236-Q241 HydrophobicContact CG1-CG 3.96Å; V236-Q241 WeakPolarHBondContact O-CG 3.46Å; V236-Q241 PolarHBondContact O-NE2 3.46Å; S237-Q241 WeakPolarHBondContact O-CG 3.4Å; S237-Q241 PolarHBondContact O-N 3.45Å; T238-Q241 WeakPolarHBondContact O-CB 3.4Å; T238-Q241 PolarHBondContact O-N 2.95Å; Q241-R245 VanDerWaalsContact CB-NH1 3.3Å; Q241-R245 WeakPolarHBondContact O-CG 3.36Å; Q241-R245 PolarHBondContact O-N 2.91Å |
| 242 | S | 95.1 | Very high | 94.6 | Very high | 59 Ų | 59 | 44 Ų | 44 | 41% | 0.413 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -62.4 | -49 | 175.6 | -161 | 0 | 0 | 0 | 0 | 110.9 | T238 D239 C240 R245 S246 | T238-S242 PolarHBondContact O-N 2.85Å; D239-S242 WeakPolarHBondContact O-CB 3.24Å; D239-S242 PolarHBondContact O-N 2.95Å; C240-S242 VanDerWaalsContact C-N 3.31Å; S242-R245 PolarHBondContact O-N 3.29Å; S242-S246 WeakPolarHBondContact O-CB 3.41Å; S242-S246 PolarHBondContact O-N 3.31Å; S242-S246 PolarHBondContact O-OG 2.91Å |
| 243 | L | 96.3 | Very high | 94.5 | Very high | 0 Ų | 0 | 53.4 Ų | 53.4 | 0% | 0 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -58 | -50.1 | 174.7 | -179.1 | 60.8 | 0 | 0 | 0 | 111.7 | F119 L203 D239 C240 R245 S246 M247 I256 V261 H264 W266 V267 | F119-L243 HydrophobicContact CE1-CD2 4.24Å; L203-L243 HydrophobicContact CD2-CD2 3.88Å; L203-L243 HydrophobicContact CD2-CG 4.42Å; D239-L243 PolarHBondContact O-N 3.27Å; C240-L243 PolarHBondContact O-N 3.45Å; L243-R245 PolarHBondContact O-N 2.8Å; L243-S246 PolarHBondContact O-N 3.01Å; L243-S246 VanDerWaalsContact O-N 3.12Å; L243-M247 HydrophobicContact CD1-CG 3.99Å; L243-M247 HydrophobicContact CD1-SD 3.78Å; L243-M247 HydrophobicContact CD2-SD 4.44Å; L243-M247 HydrophobicContact CG-CG 4.37Å; L243-M247 HydrophobicContact CG-SD 3.81Å; L243-M247 WeakPolarHBondContact O-CG 3.38Å; L243-M247 PolarHBondContact O-N 3.43Å; L243-I256 HydrophobicContact CD1-CD1 4.32Å; L243-V261 HydrophobicContact CD1-CG1 4.27Å; L243-V261 HydrophobicContact CD1-CG2 4.11Å; L243-H264 HydrophobicContact CD1-CB 4.12Å; L243-W266 HydrophobicContact CD2-CD2 4.48Å; L243-W266 HydrophobicContact CD2-CE3 3.66Å; L243-W266 HydrophobicContact CD2-CZ3 4.33Å; L243-V267 HydrophobicContact CD2-CG2 3.66Å |
| 244 | L | 97.1 | Very high | 94.5 | Very high | 0 Ų | 0 | 59.5 Ų | 59.5 | 0% | 0 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -60.5 | -40.5 | -179.7 | -76.5 | 171.8 | 0 | 0 | 0 | 112.9 | G200 L203 Y204 L207 I232 V236 C240 I248 | G200-L244 WeakPolarHBondContact O-CD2 3.41Å; L203-L244 HydrophobicContact CB-CD2 4.04Å; L203-L244 HydrophobicContact CD2-CD2 3.95Å; L203-L244 HydrophobicContact CD2-CG 4.43Å; L203-L244 HydrophobicContact CG-CD2 3.9Å; Y204-L244 HydrophobicContact CD2-CD1 4.39Å; L207-L244 HydrophobicContact CD1-CD1 4.26Å; I232-L244 HydrophobicContact CD1-CB 4.1Å; I232-L244 HydrophobicContact CG2-CD1 4.44Å; V236-L244 HydrophobicContact CG1-CD1 4.21Å; C240-L244 WeakPolarHBondContact O-CB 3.43Å; C240-L244 VanDerWaalsContact O-CG 3.29Å; C240-L244 WeakPolarHBondContact O-CG 3.22Å; C240-L244 PolarHBondContact O-N 2.84Å; L244-I248 HydrophobicContact CD2-CD1 4.41Å; L244-I248 WeakPolarHBondContact O-CB 3.14Å; L244-I248 WeakPolarHBondContact O-CG1 3.15Å; L244-I248 PolarHBondContact O-N 2.81Å |
| 245 | R | 96.3 | Very high | 94.7 | Very high | 121 Ų | 121 | 55.1 Ų | 55.1 | 46% | 0.457 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -65.7 | -39.6 | 174 | -71.4 | 178.6 | -168.5 | 105.8 | 7.2 | 111.9 | I232 Q241 S242 L243 I248 E249 | I232-R245 HydrophobicContact CD1-CG 3.92Å; Q241-R245 VanDerWaalsContact CB-NH1 3.3Å; Q241-R245 WeakPolarHBondContact O-CG 3.36Å; Q241-R245 PolarHBondContact O-N 2.91Å; S242-R245 PolarHBondContact O-N 3.29Å; L243-R245 PolarHBondContact O-N 2.8Å; R245-I248 CarbonylContact O-C 3.56Å; R245-E249 PolarHBondContact O-N 3.1Å |
| 246 | S | 95.6 | Very high | 94.8 | Very high | 37 Ų | 37 | 50.9 Ų | 50.9 | 26% | 0.259 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -71.9 | -31.2 | -178.5 | -47.2 | 0 | 0 | 0 | 0 | 112.6 | S242 L243 R255 I256 | S242-S246 WeakPolarHBondContact O-CB 3.41Å; S242-S246 PolarHBondContact O-N 3.31Å; S242-S246 PolarHBondContact O-OG 2.91Å; L243-S246 PolarHBondContact O-N 3.01Å; L243-S246 VanDerWaalsContact O-N 3.12Å; S246-R255 WeakPolarHBondContact O-CA 3.39Å; S246-I256 WeakPolarHBondContact O-CG2 3.13Å; S246-I256 PolarHBondContact O-N 3.41Å |
| 247 | M | 96.6 | Very high | 94.8 | Very high | 0 Ų | 0 | 53.3 Ų | 53.3 | 0% | 0 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -81 | -40.5 | 175.5 | -65.9 | 179.7 | 80.4 | 0 | 0 | 113 | F119 V196 C199 L203 L243 E249 R255 I256 V261 | F119-M247 HydrophobicContact CE2-CE 3.96Å; F119-M247 HydrophobicContact CE2-SD 4.33Å; F119-M247 HydrophobicContact CZ-CE 3.65Å; F119-M247 HydrophobicContact CZ-SD 3.77Å; V196-M247 HydrophobicContact CG1-CB 4.25Å; V196-M247 HydrophobicContact CG1-CE 4.03Å; V196-M247 HydrophobicContact CG1-CG 4.13Å; V196-M247 WeakPolarHBondContact O-CE 3.49Å; C199-M247 HydrophobicContact CB-CE 3.54Å; L203-M247 HydrophobicContact CD2-SD 4.49Å; L243-M247 HydrophobicContact CD1-CG 3.99Å; L243-M247 HydrophobicContact CD1-SD 3.78Å; L243-M247 HydrophobicContact CD2-SD 4.44Å; L243-M247 HydrophobicContact CG-CG 4.37Å; L243-M247 HydrophobicContact CG-SD 3.81Å; L243-M247 WeakPolarHBondContact O-CG 3.38Å; L243-M247 PolarHBondContact O-N 3.43Å; M247-E249 PolarHBondContact O-N 3.32Å; M247-R255 WeakPolarHBondContact O-CD 3.26Å; M247-R255 WeakPolarHBondContact O-CG 3.17Å; M247-I256 HydrophobicContact CB-CG2 4.24Å; M247-I256 HydrophobicContact CG-CG2 3.54Å; M247-V261 HydrophobicContact CE-CG1 4.41Å; M247-V261 HydrophobicContact CE-CG2 4.23Å; M247-V261 HydrophobicContact CG-CG2 4Å; M247-V261 HydrophobicContact SD-CG1 4.44Å; M247-V261 HydrophobicContact SD-CG2 4.2Å |
| 248 | I | 96.2 | Very high | 94.6 | Very high | 5 Ų | 5 | 51.2 Ų | 51.2 | 3% | 0.026 | 26% | 0.255 | C | S | . | . | S | Bend | trans | -95.4 | 48.1 | 179.6 | -45.8 | 176 | 0 | 0 | 0 | 109.3 | W197 V201 P212 F213 F230 L244 R245 | W197-I248 HydrophobicContact CD2-CG2 4.2Å; W197-I248 HydrophobicContact CE3-CB 4.41Å; W197-I248 HydrophobicContact CE3-CG2 3.96Å; W197-I248 HydrophobicContact CH2-CG2 3.49Å; W197-I248 VanDerWaalsContact CH2-CG2 3.49Å; W197-I248 HydrophobicContact CZ2-CG2 3.72Å; W197-I248 VanDerWaalsContact CZ3-C 3.41Å; W197-I248 HydrophobicContact CZ3-CB 4.34Å; W197-I248 HydrophobicContact CZ3-CG2 3.62Å; V201-I248 HydrophobicContact CG2-CD1 4.47Å; P212-I248 HydrophobicContact CG-CD1 4.37Å; F213-I248 HydrophobicContact CE2-CG2 3.61Å; F213-I248 HydrophobicContact CZ-CG2 3.66Å; F230-I248 HydrophobicContact CD1-CG2 4.06Å; F230-I248 HydrophobicContact CE1-CB 3.66Å; F230-I248 HydrophobicContact CE1-CD1 4.3Å; F230-I248 HydrophobicContact CE1-CG2 3.64Å; F230-I248 HydrophobicContact CE2-CD1 3.95Å; F230-I248 HydrophobicContact CZ-CB 3.77Å; F230-I248 HydrophobicContact CZ-CD1 3.82Å; F230-I248 HydrophobicContact CZ-CG1 4.26Å; F230-I248 HydrophobicContact CZ-CG2 4.17Å; L244-I248 HydrophobicContact CD2-CD1 4.41Å; L244-I248 WeakPolarHBondContact O-CB 3.14Å; L244-I248 WeakPolarHBondContact O-CG1 3.15Å; L244-I248 PolarHBondContact O-N 2.81Å; R245-I248 CarbonylContact O-C 3.56Å |
| 249 | E | 96 | Very high | 94.4 | Very high | 63 Ų | 63 | 51.5 Ų | 51.5 | 29% | 0.294 | 25% | 0.247 | S | C | . | . | trans | -96.8 | 138.5 | 177.6 | 173.8 | 48.4 | -120.8 | 0 | 0 | 110.6 | W197 R245 M247 D251 K254 R255 | W197-E249 WeakPolarHBondContact CZ3-O 3.26Å; R245-E249 PolarHBondContact O-N 3.1Å; M247-E249 PolarHBondContact O-N 3.32Å; E249-D251 PolarHBondContact OE1-N 3.11Å; E249-K254 HydrophobicContact CG-CB 3.76Å; E249-R255 HydrophobicContact CB-CB 4.13Å; E249-R255 HydrophobicContact CB-CG 4.38Å; E249-R255 HydrophobicContact CG-CB 4.49Å; E249-R255 PolarHBondContact O-NE 3.09Å; E249-R255 PolarHBondContact O-NH2 2.9Å | ||
| 250 | V | 95.1 | Very high | 94.3 | Very high | 36 Ų | 36 | 52.4 Ų | 52.4 | 22% | 0.218 | 25% | 0.248 | C | C | . | . | S | Bend | trans | -81.7 | -36.8 | -172.4 | 179.2 | 0 | 0 | 0 | 0 | 112.1 | P181 W197 T252 | P181-V250 HydrophobicContact CB-CG1 4.25Å; P181-V250 HydrophobicContact CG-CG1 4.14Å; P181-V250 HydrophobicContact CG-CG2 4.32Å; W197-V250 HydrophobicContact CZ3-CG2 4.41Å; V250-T252 PolarHBondContact O-N 3.35Å |
| 251 | D | 92.4 | Very high | 94.2 | Very high | 37 Ų | 37 | 52.3 Ų | 52.3 | 20% | 0.198 | 25% | 0.248 | C | C | . | . | S | Bend | trans | -77.6 | 106.4 | 172 | -171.6 | -19.7 | 0 | 0 | 0 | 109 | E249 R253 K254 R255 | E249-D251 PolarHBondContact OE1-N 3.11Å; D251-R253 PolarHBondContact O-N 3.13Å; D251-R253 WeakPolarHBondContact OD1-CB 3.35Å; D251-R253 IonicContact OD1-CZ 3.24Å; D251-R253 PolarHBondContact OD1-N 2.98Å; D251-R253 VanDerWaalsContact OD1-N 3.12Å; D251-R253 IonicContact OD1-NE 3.43Å; D251-R253 PolarHBondContact OD1-NE 3.33Å; D251-R253 IonicContact OD1-NH2 2.74Å; D251-R253 PolarHBondContact OD1-NH2 3.34Å; D251-R253 IonicContact OD2-CZ 2.7Å; D251-R253 IonicContact OD2-NE 2.76Å; D251-R253 IonicContact OD2-NH2 3.54Å; D251-R253 PolarHBondContact OD2-NH2 2.91Å; D251-K254 HydrophobicContact CB-CB 4.2Å; D251-K254 HydrophobicContact CB-CD 3.92Å; D251-K254 HydrophobicContact CB-CG 4.01Å; D251-K254 PolarHBondContact O-N 3.08Å; D251-K254 VanDerWaalsContact OD2-CE 3.27Å; D251-K254 WeakPolarHBondContact OD2-CE 3.44Å; D251-K254 IonicContact OD2-NZ 3.78Å; D251-R255 PolarHBondContact O-N 3.03Å |
| 252 | T | 91 | Very high | 93.8 | Very high | 44 Ų | 44 | 51.2 Ų | 51.2 | 27% | 0.27 | 24% | 0.243 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -53.5 | -22.5 | -179 | -44.5 | 0 | 0 | 0 | 0 | 113.2 | E182 M193 V250 | E182-T252 WeakPolarHBondContact OE1-CG2 3.37Å; E182-T252 PolarHBondContact OE1-OG1 3.36Å; M193-T252 HydrophobicContact CB-CG2 3.6Å; M193-T252 HydrophobicContact CG-CG2 3.93Å; V250-T252 PolarHBondContact O-N 3.35Å |
| 253 | R | 91.6 | Very high | 93.4 | Very high | 215 Ų | 215 | 53.3 Ų | 53.3 | 81% | 0.811 | 25% | 0.246 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -85.2 | -13.5 | 177.4 | -52.5 | 166.3 | -61.7 | 169 | 8.4 | 114.1 | D251 | D251-R253 PolarHBondContact O-N 3.13Å; D251-R253 WeakPolarHBondContact OD1-CB 3.35Å; D251-R253 IonicContact OD1-CZ 3.24Å; D251-R253 PolarHBondContact OD1-N 2.98Å; D251-R253 VanDerWaalsContact OD1-N 3.12Å; D251-R253 IonicContact OD1-NE 3.43Å; D251-R253 PolarHBondContact OD1-NE 3.33Å; D251-R253 IonicContact OD1-NH2 2.74Å; D251-R253 PolarHBondContact OD1-NH2 3.34Å; D251-R253 IonicContact OD2-CZ 2.7Å; D251-R253 IonicContact OD2-NE 2.76Å; D251-R253 IonicContact OD2-NH2 3.54Å; D251-R253 PolarHBondContact OD2-NH2 2.91Å |
| 254 | K | 93.8 | Very high | 93.2 | Very high | 146 Ų | 146 | 54.9 Ų | 54.9 | 64% | 0.635 | 25% | 0.253 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -105.1 | -17.2 | 174.7 | -60.3 | 179.2 | -168.8 | 163.2 | 0 | 112.3 | E249 D251 I256 | E249-K254 HydrophobicContact CG-CB 3.76Å; D251-K254 HydrophobicContact CB-CB 4.2Å; D251-K254 HydrophobicContact CB-CD 3.92Å; D251-K254 HydrophobicContact CB-CG 4.01Å; D251-K254 PolarHBondContact O-N 3.08Å; D251-K254 VanDerWaalsContact OD2-CE 3.27Å; D251-K254 WeakPolarHBondContact OD2-CE 3.44Å; D251-K254 IonicContact OD2-NZ 3.78Å; K254-I256 PolarHBondContact O-N 3.29Å |
| 255 | R | 96.6 | Very high | 92.9 | Very high | 7 Ų | 7 | 62.6 Ų | 62.6 | 3% | 0.026 | 29% | 0.287 | C | S | . | . | S | Bend | trans | -61.1 | 131.5 | 172.5 | -166.3 | -178.8 | -57.4 | 147.8 | 10.4 | 109 | E182 M193 V196 S246 M247 E249 D251 | E182-R255 IonicContact OE1-CZ 2.79Å; E182-R255 VanDerWaalsContact OE1-CZ 3.29Å; E182-R255 IonicContact OE1-NH1 3.21Å; E182-R255 PolarHBondContact OE1-NH1 3.46Å; E182-R255 IonicContact OE1-NH2 2.62Å; E182-R255 PolarHBondContact OE1-NH2 2.9Å; E182-R255 IonicContact OE2-CZ 3.96Å; E182-R255 IonicContact OE2-NH1 2.91Å; E182-R255 IonicContact OE2-NH2 3.22Å; E182-R255 PolarHBondContact OE2-NH2 2.98Å; M193-R255 HydrophobicContact CE-CB 3.89Å; M193-R255 HydrophobicContact CE-CG 4.2Å; M193-R255 WeakPolarHBondContact CE-O 3.08Å; M193-R255 WeakPolarHBondContact O-CD 3.49Å; M193-R255 PolarHBondContact O-NH1 3.03Å; V196-R255 HydrophobicContact CG1-CG 4.46Å; S246-R255 WeakPolarHBondContact O-CA 3.39Å; M247-R255 WeakPolarHBondContact O-CD 3.26Å; M247-R255 WeakPolarHBondContact O-CG 3.17Å; E249-R255 HydrophobicContact CB-CB 4.13Å; E249-R255 HydrophobicContact CB-CG 4.38Å; E249-R255 HydrophobicContact CG-CB 4.49Å; E249-R255 PolarHBondContact O-NE 3.09Å; E249-R255 PolarHBondContact O-NH2 2.9Å; D251-R255 PolarHBondContact O-N 3.03Å |
| 256 | I | 95.1 | Very high | 92.7 | Very high | 18 Ų | 18 | 57.2 Ų | 57.2 | 9% | 0.092 | 27% | 0.267 | C | S | . | . | P | Polyproline II helix | trans | -59.4 | 142.9 | 179.9 | -166.3 | 169.2 | 0 | 0 | 0 | 111.3 | M193 V196 L243 S246 M247 K254 E260 V261 | M193-I256 WeakPolarHBondContact CE-O 3.41Å; V196-I256 HydrophobicContact CG1-CG2 4.13Å; V196-I256 WeakPolarHBondContact CG1-O 3.13Å; L243-I256 HydrophobicContact CD1-CD1 4.32Å; S246-I256 WeakPolarHBondContact O-CG2 3.13Å; S246-I256 PolarHBondContact O-N 3.41Å; M247-I256 HydrophobicContact CB-CG2 4.24Å; M247-I256 HydrophobicContact CG-CG2 3.54Å; K254-I256 PolarHBondContact O-N 3.29Å; I256-E260 HydrophobicContact CD1-CB 3.87Å; I256-E260 HydrophobicContact CG1-CB 3.4Å; I256-E260 HydrophobicContact CG1-CG 4.48Å; I256-V261 HydrophobicContact CB-CG2 4.41Å; I256-V261 HydrophobicContact CD1-CG2 4Å; I256-V261 HydrophobicContact CG1-CG2 4.04Å; I256-V261 HydrophobicContact CG2-CG2 3.54Å |
| 257 | T | 93.4 | Very high | 92.4 | Very high | 57 Ų | 57 | 55.5 Ų | 55.5 | 35% | 0.35 | 26% | 0.255 | S | S | . | . | P | Polyproline II helix | trans | -80.4 | 160.6 | 172.9 | 65.4 | 0 | 0 | 0 | 0 | 111.5 | K259 E260 V261 | T257-K259 VanDerWaalsContact C-N 3.26Å; T257-K259 PolarHBondContact O-N 2.92Å; T257-E260 VanDerWaalsContact CB-OE2 3.31Å; T257-E260 WeakPolarHBondContact CB-OE2 3.18Å; T257-E260 WeakPolarHBondContact CG2-OE2 3.41Å; T257-E260 PolarHBondContact N-OE2 3.19Å; T257-E260 PolarHBondContact O-N 2.91Å; T257-E260 VanDerWaalsContact OG1-CD 3.3Å; T257-E260 WeakPolarHBondContact OG1-CG 3.44Å; T257-E260 PolarHBondContact OG1-N 2.92Å; T257-E260 PolarHBondContact OG1-OE2 3.26Å; T257-V261 WeakPolarHBondContact O-CG2 3.43Å; T257-V261 PolarHBondContact O-N 3.38Å |
| 258 | L | 90.6 | Very high | 92 | Very high | 12 Ų | 12 | 57.6 Ų | 57.6 | 6% | 0.063 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -63.4 | -32.8 | -178.9 | -170.2 | 55.3 | 0 | 0 | 0 | 112.8 | I123 L126 D127 V196 V261 L262 | I123-L258 HydrophobicContact CB-CD1 3.94Å; I123-L258 HydrophobicContact CG2-CD1 4Å; L126-L258 HydrophobicContact CB-CD2 3.77Å; D127-L258 HydrophobicContact CB-CD2 4.13Å; V196-L258 HydrophobicContact CG2-CB 4.15Å; L258-V261 HydrophobicContact CD1-CB 4.43Å; L258-V261 WeakPolarHBondContact O-CB 3.39Å; L258-V261 PolarHBondContact O-N 2.97Å; L258-L262 WeakPolarHBondContact O-CG 3.48Å; L258-L262 PolarHBondContact O-N 3.46Å |
| 259 | K | 88.2 | Confident | 91.2 | Very high | 115 Ų | 115 | 58.2 Ų | 58.2 | 50% | 0.5 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -59.6 | -51.5 | 171.2 | 176.2 | 175.2 | 175.3 | -179.1 | 0 | 112 | T257 V261 L262 E263 L277 | T257-K259 VanDerWaalsContact C-N 3.26Å; T257-K259 PolarHBondContact O-N 2.92Å; K259-V261 PolarHBondContact O-N 2.68Å; K259-L262 WeakPolarHBondContact O-CB 3.38Å; K259-L262 PolarHBondContact O-N 3.24Å; K259-L262 VanDerWaalsContact O-N 3.08Å; K259-E263 WeakPolarHBondContact CE-OE1 3.27Å; K259-E263 WeakPolarHBondContact CG-OE1 3.43Å; K259-E263 IonicContact NZ-OE1 3.95Å; K259-E263 PolarHBondContact O-N 3.38Å; K259-L277 HydrophobicContact CB-CD2 4.15Å; K259-L277 HydrophobicContact CD-CD1 4.26Å; K259-L277 HydrophobicContact CG-CD1 3.98Å; K259-L277 HydrophobicContact CG-CD2 3.94Å |
| 260 | E | 92 | Very high | 89.8 | Confident | 96 Ų | 96 | 60.6 Ų | 60.6 | 45% | 0.449 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -65.1 | -28.9 | 178.2 | -67.5 | 163.9 | 124.5 | 0 | 0 | 112.1 | I256 T257 H264 | I256-E260 HydrophobicContact CD1-CB 3.87Å; I256-E260 HydrophobicContact CG1-CB 3.4Å; I256-E260 HydrophobicContact CG1-CG 4.48Å; T257-E260 VanDerWaalsContact CB-OE2 3.31Å; T257-E260 WeakPolarHBondContact CB-OE2 3.18Å; T257-E260 WeakPolarHBondContact CG2-OE2 3.41Å; T257-E260 PolarHBondContact N-OE2 3.19Å; T257-E260 PolarHBondContact O-N 2.91Å; T257-E260 VanDerWaalsContact OG1-CD 3.3Å; T257-E260 WeakPolarHBondContact OG1-CG 3.44Å; T257-E260 PolarHBondContact OG1-N 2.92Å; T257-E260 PolarHBondContact OG1-OE2 3.26Å; E260-H264 WeakPolarHBondContact O-CB 3.36Å; E260-H264 PolarHBondContact O-N 3.39Å |
| 261 | V | 92.9 | Very high | 88.1 | Confident | 0 Ų | 0 | 65.6 Ų | 65.6 | 0% | 0 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -64.2 | -43.3 | 170.2 | 169.8 | 0 | 0 | 0 | 0 | 111.3 | F119 I123 L243 M247 I256 T257 L258 K259 E263 H264 V267 | F119-V261 HydrophobicContact CE1-CG1 3.76Å; F119-V261 HydrophobicContact CZ-CG1 3.8Å; I123-V261 HydrophobicContact CD1-CG1 4.33Å; I123-V261 HydrophobicContact CG2-CG1 4.13Å; L243-V261 HydrophobicContact CD1-CG1 4.27Å; L243-V261 HydrophobicContact CD1-CG2 4.11Å; M247-V261 HydrophobicContact CE-CG1 4.41Å; M247-V261 HydrophobicContact CE-CG2 4.23Å; M247-V261 HydrophobicContact CG-CG2 4Å; M247-V261 HydrophobicContact SD-CG1 4.44Å; M247-V261 HydrophobicContact SD-CG2 4.2Å; I256-V261 HydrophobicContact CB-CG2 4.41Å; I256-V261 HydrophobicContact CD1-CG2 4Å; I256-V261 HydrophobicContact CG1-CG2 4.04Å; I256-V261 HydrophobicContact CG2-CG2 3.54Å; T257-V261 WeakPolarHBondContact O-CG2 3.43Å; T257-V261 PolarHBondContact O-N 3.38Å; L258-V261 HydrophobicContact CD1-CB 4.43Å; L258-V261 WeakPolarHBondContact O-CB 3.39Å; L258-V261 PolarHBondContact O-N 2.97Å; K259-V261 PolarHBondContact O-N 2.68Å; V261-E263 VanDerWaalsContact C-N 3.35Å; V261-H264 WeakPolarHBondContact O-CB 3.12Å; V261-H264 PolarHBondContact O-N 2.9Å; V261-V267 HydrophobicContact CG1-CG2 4.35Å; V261-V267 WeakPolarHBondContact O-CB 3.45Å; V261-V267 WeakPolarHBondContact O-CG2 3.45Å |
| 262 | L | 87.7 | Confident | 86 | Confident | 7 Ų | 7 | 71.3 Ų | 71.3 | 4% | 0.037 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -64.9 | -38.8 | 177.7 | -72.7 | 158.7 | 0 | 0 | 0 | 111.9 | I123 D127 L258 K259 H264 L275 L277 | I123-L262 HydrophobicContact CB-CD2 4.36Å; I123-L262 HydrophobicContact CD1-CD2 3.54Å; I123-L262 HydrophobicContact CD1-CG 4.22Å; I123-L262 HydrophobicContact CG1-CD2 3.68Å; I123-L262 HydrophobicContact CG1-CG 4.5Å; D127-L262 HydrophobicContact CB-CD1 3.95Å; D127-L262 WeakPolarHBondContact OD1-CD1 3.48Å; L258-L262 WeakPolarHBondContact O-CG 3.48Å; L258-L262 PolarHBondContact O-N 3.46Å; K259-L262 WeakPolarHBondContact O-CB 3.38Å; K259-L262 PolarHBondContact O-N 3.24Å; K259-L262 VanDerWaalsContact O-N 3.08Å; L262-H264 VanDerWaalsContact C-N 3.31Å; L262-L275 HydrophobicContact CD2-CB 3.94Å; L262-L275 HydrophobicContact CD2-CD1 3.57Å; L262-L275 HydrophobicContact CD2-CG 4.38Å; L262-L277 HydrophobicContact CB-CD2 4.33Å; L262-L277 HydrophobicContact CD1-CD2 3.47Å; L262-L277 VanDerWaalsContact CD1-CD2 3.47Å |
| 263 | E | 87.5 | Confident | 84.2 | Confident | 103 Ų | 103 | 73.4 Ų | 73.4 | 48% | 0.481 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -76.3 | -12.5 | 175.6 | -66.3 | 173.8 | -168.3 | 0 | 0 | 113.5 | K259 V261 K265 I268 | K259-E263 WeakPolarHBondContact CE-OE1 3.27Å; K259-E263 WeakPolarHBondContact CG-OE1 3.43Å; K259-E263 IonicContact NZ-OE1 3.95Å; K259-E263 PolarHBondContact O-N 3.38Å; V261-E263 VanDerWaalsContact C-N 3.35Å; E263-K265 PolarHBondContact O-N 2.74Å; E263-I268 VanDerWaalsContact O-CD1 3.29Å; E263-I268 WeakPolarHBondContact O-CD1 3.42Å |
| 264 | H | 91.1 | Very high | 82.4 | Confident | 33 Ų | 33 | 67.1 Ų | 67.1 | 15% | 0.153 | 34% | 0.339 | C | S | . | . | S | Bend | trans | -66.6 | 133 | -173.8 | -172.1 | -87.4 | 0 | 0 | 0 | 112.5 | D239 L243 E260 V261 L262 W266 V267 I268 | D239-H264 PolarHBondContact O-CE1 3Å; L243-H264 HydrophobicContact CD1-CB 4.12Å; E260-H264 WeakPolarHBondContact O-CB 3.36Å; E260-H264 PolarHBondContact O-N 3.39Å; V261-H264 WeakPolarHBondContact O-CB 3.12Å; V261-H264 PolarHBondContact O-N 2.9Å; L262-H264 VanDerWaalsContact C-N 3.31Å; H264-W266 VanDerWaalsContact C-N 3.25Å; H264-W266 PolarHBondContact ND1-N 3.05Å; H264-W266 PolarHBondContact O-N 2.87Å; H264-V267 HydrophobicContact CB-CG2 4.4Å; H264-V267 WeakPolarHBondContact O-CA 3.42Å; H264-V267 WeakPolarHBondContact O-CB 3.41Å; H264-V267 PolarHBondContact O-N 3.18Å; H264-I268 PolarHBondContact O-N 3.45Å |
| 265 | K | 91.2 | Very high | 80.8 | Confident | 163 Ų | 163 | 62.5 Ų | 62.5 | 71% | 0.709 | 32% | 0.321 | S | S | * | . | H | α-helix | trans | -44.7 | -44.2 | -176.9 | -63.1 | -178.6 | -179 | 179.4 | 0 | 114.3 | E263 V267 G269 | E263-K265 PolarHBondContact O-N 2.74Å; K265-V267 VanDerWaalsContact C-N 3.33Å; K265-V267 PolarHBondContact O-N 2.61Å; K265-G269 PolarHBondContact O-N 2.71Å |
| 266 | W | 92.7 | Very high | 79.1 | Confident | 7 Ų | 7 | 66.4 Ų | 66.4 | 3% | 0.027 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -67.3 | -30.1 | 179.1 | -173.4 | 81.8 | 0 | 0 | 0 | 114 | R116 F119 L203 L207 D239 C240 L243 H264 | R116-W266 HydrophobicContact CB-CH2 3.77Å; R116-W266 HydrophobicContact CB-CZ2 4.08Å; R116-W266 HydrophobicContact CB-CZ3 4.31Å; R116-W266 HydrophobicContact CG-CH2 4.36Å; R116-W266 HydrophobicContact CG-CZ3 4.44Å; R116-W266 PolarHBondContact NE-O 2.71Å; R116-W266 PolarHBondContact NH2-O 3.08Å; F119-W266 HydrophobicContact CD1-CZ3 4.14Å; L203-W266 HydrophobicContact CD1-CH2 3.78Å; L203-W266 HydrophobicContact CD1-CZ3 3.9Å; L203-W266 HydrophobicContact CD2-CZ3 4.07Å; L207-W266 HydrophobicContact CD2-CZ2 4.33Å; D239-W266 HydrophobicContact CB-CB 3.91Å; C240-W266 HydrophobicContact CB-CD2 4.05Å; C240-W266 HydrophobicContact CB-CG 3.87Å; C240-W266 VanDerWaalsContact SG-CE2 3.54Å; L243-W266 HydrophobicContact CD2-CD2 4.48Å; L243-W266 HydrophobicContact CD2-CE3 3.66Å; L243-W266 HydrophobicContact CD2-CZ3 4.33Å; H264-W266 VanDerWaalsContact C-N 3.25Å; H264-W266 PolarHBondContact ND1-N 3.05Å; H264-W266 PolarHBondContact O-N 2.87Å |
| 267 | V | 89.5 | Confident | 77.5 | Confident | 2 Ų | 2 | 68.6 Ų | 68.6 | 1% | 0.012 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -77.1 | -52.3 | -179.5 | 175.3 | 0 | 0 | 0 | 0 | 109.9 | F119 K120 I123 L243 V261 H264 K265 G269 | F119-V267 HydrophobicContact CD1-CG2 4.11Å; F119-V267 HydrophobicContact CE1-CG2 3.72Å; K120-V267 WeakPolarHBondContact CE-O 3.16Å; K120-V267 HydrophobicContact CG-CG1 4.21Å; K120-V267 PolarHBondContact NZ-O 2.86Å; I123-V267 HydrophobicContact CD1-CG1 3.55Å; L243-V267 HydrophobicContact CD2-CG2 3.66Å; V261-V267 HydrophobicContact CG1-CG2 4.35Å; V261-V267 WeakPolarHBondContact O-CB 3.45Å; V261-V267 WeakPolarHBondContact O-CG2 3.45Å; H264-V267 HydrophobicContact CB-CG2 4.4Å; H264-V267 WeakPolarHBondContact O-CA 3.42Å; H264-V267 WeakPolarHBondContact O-CB 3.41Å; H264-V267 PolarHBondContact O-N 3.18Å; K265-V267 VanDerWaalsContact C-N 3.33Å; K265-V267 PolarHBondContact O-N 2.61Å; V267-G269 PolarHBondContact O-N 3.33Å |
| 268 | I | 86.5 | Confident | 76.2 | Confident | 43 Ų | 43 | 69.7 Ų | 69.7 | 22% | 0.221 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -50.4 | -60 | 172.9 | -59.9 | 173 | 0 | 0 | 0 | 109 | K120 E263 H264 Q271 | K120-I268 PolarHBondContact NZ-O 2.85Å; E263-I268 VanDerWaalsContact O-CD1 3.29Å; E263-I268 WeakPolarHBondContact O-CD1 3.42Å; H264-I268 PolarHBondContact O-N 3.45Å; I268-Q271 WeakPolarHBondContact CG2-O 3.34Å |
| 269 | G | 80.5 | Confident | 74.7 | Confident | 18 Ų | 18 | 73.5 Ų | 73.5 | 19% | 0.186 | 38% | 0.38 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 68.6 | -155.7 | 179.8 | 0 | 0 | 0 | 0 | 0 | 113.3 | K265 V267 Q271 | K265-G269 PolarHBondContact O-N 2.71Å; V267-G269 PolarHBondContact O-N 3.33Å; G269-Q271 PolarHBondContact O-N 2.95Å |
| 270 | D | 65.8 | Low | 73.4 | Confident | 114 Ų | 114 | 70.6 Ų | 70.6 | 61% | 0.61 | 37% | 0.373 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.7 | 11.5 | -172.8 | 2.4 | -33.2 | 0 | 0 | 0 | 114.4 | K113 R116 | K113-D270 WeakPolarHBondContact CE-OD2 3.37Å; K113-D270 IonicContact NZ-OD2 2.64Å; K113-D270 PolarHBondContact NZ-OD2 3.43Å; R116-D270 IonicContact CZ-OD1 3.98Å; R116-D270 IonicContact NH1-OD1 2.94Å; R116-D270 PolarHBondContact NH1-OD1 3.47Å |
| 271 | Q | 60.7 | Low | 72.2 | Confident | 140 Ų | 140 | 66.1 Ų | 66.1 | 65% | 0.654 | 35% | 0.352 | S | S | * | . | S | Bend | trans | -128 | 120.2 | 174.5 | -65.9 | -172 | 33 | 0 | 0 | 110.1 | I268 G269 T273 | I268-Q271 WeakPolarHBondContact CG2-O 3.34Å; G269-Q271 PolarHBondContact O-N 2.95Å; Q271-T273 PolarHBondContact O-N 3.01Å |
| 272 | N | 48.7 | Very low | 70.8 | Confident | 158 Ų | 158 | 68.8 Ų | 68.8 | 85% | 0.845 | 37% | 0.368 | S | S | * | . | S | Bend | trans | -72.7 | 25.5 | -179.5 | -83.4 | 6.6 | 0 | 0 | 0 | 114.5 | P274 | N272-P274 WeakPolarHBondContact O-CD 3.33Š|
| 273 | T | 52 | Low | 69.8 | Low | 88 Ų | 88 | 75 Ų | 75 | 54% | 0.54 | 40% | 0.397 | S | S | . | . | trans | -95.4 | 94 | 163 | 35.8 | 0 | 0 | 0 | 0 | 108.6 | Q271 | Q271-T273 PolarHBondContact O-N 3.01Š| ||
| 274 | P | 55 | Low | 69 | Low | 83 Ų | 83 | 73.4 Ų | 73.4 | 54% | 0.539 | 40% | 0.401 | S | S | . | . | P | Polyproline II helix | trans | -56.3 | 150 | 159.5 | 28.2 | -34.5 | 0 | 0 | 0 | 108.5 | N272 | N272-P274 WeakPolarHBondContact O-CD 3.33Š|
| 275 | L | 59.7 | Low | 68.1 | Low | 49 Ų | 49 | 73 Ų | 73 | 26% | 0.257 | 40% | 0.402 | S | S | . | . | P | Polyproline II helix | trans | -66.3 | 133.9 | 164.9 | -72.1 | 168.2 | 0 | 0 | 0 | 107 | K120 I123 L262 L277 | K120-L275 HydrophobicContact CB-CD1 3.96Å; K120-L275 HydrophobicContact CD-CD1 4.03Å; K120-L275 HydrophobicContact CD-CD2 4.45Å; K120-L275 HydrophobicContact CD-CG 4.17Å; K120-L275 HydrophobicContact CG-CD1 3.88Å; I123-L275 HydrophobicContact CD1-CD1 4.25Å; I123-L275 HydrophobicContact CG1-CD1 4.21Å; L262-L275 HydrophobicContact CD2-CB 3.94Å; L262-L275 HydrophobicContact CD2-CD1 3.57Å; L262-L275 HydrophobicContact CD2-CG 4.38Å; L275-L277 PolarHBondContact O-N 3.25Å |
| 276 | P | 60.4 | Low | 67.3 | Low | 88 Ų | 88 | 71.3 Ų | 71.3 | 57% | 0.571 | 40% | 0.396 | S | S | * | . | P | Polyproline II helix | trans | -60.3 | 131.1 | 170.1 | 27.1 | -32.7 | 0 | 0 | 0 | 108.3 | ||
| 277 | L | 62.6 | Low | 66.8 | Low | 65 Ų | 65 | 71.8 Ų | 71.8 | 34% | 0.34 | 40% | 0.4 | S | S | . | . | P | Polyproline II helix | trans | -71.8 | 132.3 | 169.1 | -74.4 | 156.9 | 0 | 0 | 0 | 108 | K259 L262 L275 | K259-L277 HydrophobicContact CB-CD2 4.15Å; K259-L277 HydrophobicContact CD-CD1 4.26Å; K259-L277 HydrophobicContact CG-CD1 3.98Å; K259-L277 HydrophobicContact CG-CD2 3.94Å; L262-L277 HydrophobicContact CB-CD2 4.33Å; L262-L277 HydrophobicContact CD1-CD2 3.47Å; L262-L277 VanDerWaalsContact CD1-CD2 3.47Å; L275-L277 PolarHBondContact O-N 3.25Å |
| 278 | E | 64.1 | Low | 66.5 | Low | 79 Ų | 79 | 73.6 Ų | 73.6 | 37% | 0.369 | 42% | 0.415 | S | S | . | . | P | Polyproline II helix | trans | -72.7 | 134.7 | 172 | -71.2 | -70 | 179 | 0 | 0 | 109.5 | D127 F128 | D127-E278 PolarHBondContact OD2-N 2.93Å; F128-E278 HydrophobicContact CB-CG 4.34Å; F128-E278 HydrophobicContact CD2-CG 4.01Å |
| 279 | L | 59.5 | Low | 66.4 | Low | 93 Ų | 93 | 77 Ų | 77 | 49% | 0.487 | 43% | 0.432 | S | S | . | . | P | Polyproline II helix | trans | -68 | 144.4 | 174.1 | -85.5 | 79.8 | 0 | 0 | 0 | 109.6 | Q283 A284 | L279-Q283 HydrophobicContact CD2-CB 4.29Å; L279-A284 HydrophobicContact CB-CB 4.28Å |
| 280 | P | 61.9 | Low | 66.8 | Low | 54 Ų | 54 | 76.5 Ų | 76.5 | 35% | 0.351 | 43% | 0.425 | S | S | . | . | P | Polyproline II helix | trans | -51.7 | 142.7 | 170.7 | -25.8 | 34.5 | 0 | 0 | 0 | 111.4 | T282 Q283 A284 | P280-T282 PolarHBondContact O-N 3.08Å; P280-T282 VanDerWaalsContact O-N 3.08Å; P280-Q283 HydrophobicContact CB-CG 4.45Å; P280-Q283 WeakPolarHBondContact O-CA 3.48Å; P280-Q283 PolarHBondContact O-N 3.41Å; P280-A284 PolarHBondContact O-N 3.15Å |
| 281 | M | 65.7 | Low | 67.7 | Low | 2 Ų | 2 | 75.4 Ų | 75.4 | 1% | 0.01 | 43% | 0.425 | C | S | . | . | H | α-helix | trans | -56.1 | -31.3 | -178.2 | 58.1 | 152.9 | 46.1 | 0 | 0 | 112.9 | L69 S131 H132 Q283 A284 V285 T327 V330 I331 L334 | L69-M281 HydrophobicContact CD2-CE 4.1Å; S131-M281 VanDerWaalsContact O-CG 3.29Å; S131-M281 WeakPolarHBondContact O-CG 3.31Å; S131-M281 PolarHBondContact O-N 3.25Å; H132-M281 HydrophobicContact CB-CE 3.84Å; H132-M281 WeakPolarHBondContact O-CE 3.23Å; M281-Q283 PolarHBondContact O-N 2.91Å; M281-A284 PolarHBondContact O-N 2.82Å; M281-V285 VanDerWaalsContact O-CB 3.27Å; M281-V285 WeakPolarHBondContact O-CB 3.15Å; M281-V285 WeakPolarHBondContact O-CG2 3.28Å; M281-V285 PolarHBondContact O-N 3.41Å; M281-T327 HydrophobicContact SD-CG2 4.33Å; M281-V330 HydrophobicContact CB-CG1 3.64Å; M281-V330 HydrophobicContact CE-CG1 4.19Å; M281-V330 HydrophobicContact CG-CG1 3.71Å; M281-V330 HydrophobicContact SD-CB 4.24Å; M281-V330 HydrophobicContact SD-CG1 3.39Å; M281-V330 WeakPolarHBondContact SD-CG1 3.37Å; M281-I331 HydrophobicContact CE-CG1 3.97Å; M281-I331 HydrophobicContact SD-CG1 3.99Å; M281-L334 HydrophobicContact CB-CD1 4.28Å; M281-L334 HydrophobicContact CE-CD1 3.34Å; M281-L334 HydrophobicContact SD-CD1 4.41Å |
| 282 | T | 63.3 | Low | 69 | Low | 55 Ų | 55 | 71.9 Ų | 71.9 | 34% | 0.337 | 41% | 0.413 | S | S | . | . | H | α-helix | trans | -71.1 | -8.2 | 175 | 49.8 | 0 | 0 | 0 | 0 | 114.7 | P280 H325 V330 | P280-T282 PolarHBondContact O-N 3.08Å; P280-T282 VanDerWaalsContact O-N 3.08Å; T282-H325 PolarHBondContact O-NE2 3.42Å; T282-V330 HydrophobicContact CG2-CG2 4.28Å |
| 283 | Q | 68.3 | Low | 70.9 | Confident | 138 Ų | 138 | 71.6 Ų | 71.6 | 65% | 0.645 | 40% | 0.4 | S | S | * | . | H | α-helix | trans | -112.4 | -29.7 | 173.8 | -61.6 | -178.7 | -0.5 | 0 | 0 | 111.7 | L279 P280 M281 | L279-Q283 HydrophobicContact CD2-CB 4.29Å; P280-Q283 HydrophobicContact CB-CG 4.45Å; P280-Q283 WeakPolarHBondContact O-CA 3.48Å; P280-Q283 PolarHBondContact O-N 3.41Å; M281-Q283 PolarHBondContact O-N 2.91Å |
| 284 | A | 69.5 | Low | 72.6 | Confident | 69 Ų | 69 | 71.1 Ų | 71.1 | 57% | 0.57 | 41% | 0.405 | S | S | * | . | H | α-helix | trans | -83 | -27.9 | 179.1 | 0 | 0 | 0 | 0 | 0 | 114 | L279 P280 M281 | L279-A284 HydrophobicContact CB-CB 4.28Å; P280-A284 PolarHBondContact O-N 3.15Å; M281-A284 PolarHBondContact O-N 2.82Å |
| 285 | V | 71.5 | Confident | 74.2 | Confident | 26 Ų | 26 | 68.5 Ų | 68.5 | 16% | 0.158 | 39% | 0.387 | C | S | . | . | trans | -112.2 | 107.7 | -172 | -175.5 | 0 | 0 | 0 | 0 | 110.9 | M281 H325 V330 F333 L334 | M281-V285 VanDerWaalsContact O-CB 3.27Å; M281-V285 WeakPolarHBondContact O-CB 3.15Å; M281-V285 WeakPolarHBondContact O-CG2 3.28Å; M281-V285 PolarHBondContact O-N 3.41Å; V285-H325 PolarHBondContact O-CE1 2.91Å; V285-V330 HydrophobicContact CB-CG1 3.94Å; V285-V330 HydrophobicContact CG1-CG1 4.29Å; V285-V330 HydrophobicContact CG2-CG1 4.15Å; V285-F333 HydrophobicContact CG1-CB 4.3Å; V285-L334 HydrophobicContact CG1-CG 4.34Å; V285-L334 HydrophobicContact CG2-CD1 4.13Å; V285-L334 HydrophobicContact CG2-CD2 3.74Å; V285-L334 HydrophobicContact CG2-CG 3.86Å | ||
| 286 | Q | 75.1 | Confident | 75.7 | Confident | 126 Ų | 126 | 67.1 Ų | 67.1 | 59% | 0.589 | 38% | 0.379 | S | S | * | . | trans | -70.8 | 138.5 | 167.3 | -168.9 | 76.5 | 35.5 | 0 | 0 | 110.3 | L383 | Q286-L383 HydrophobicContact CB-CD1 3.82Å; Q286-L383 HydrophobicContact CB-CD2 3.26Å; Q286-L383 HydrophobicContact CB-CG 4.18Å; Q286-L383 HydrophobicContact CG-CD1 4.19Å; Q286-L383 HydrophobicContact CG-CD2 3.75Å | ||
| 287 | T | 81.7 | Confident | 77 | Confident | 17 Ų | 17 | 63.4 Ų | 63.4 | 10% | 0.104 | 35% | 0.354 | C | S | . | . | trans | -106.5 | 138.7 | 176 | 57.5 | 0 | 0 | 0 | 0 | 110.4 | H325 K329 V330 F333 | T287-H325 WeakPolarHBondContact CG2-ND1 3.2Å; T287-H325 PolarHBondContact OG1-ND1 3.27Å; T287-K329 HydrophobicContact CG2-CB 3.49Å; T287-K329 VanDerWaalsContact CG2-CB 3.49Å; T287-V330 HydrophobicContact CG2-CB 4.5Å; T287-V330 HydrophobicContact CG2-CG2 3.78Å; T287-F333 HydrophobicContact CG2-CD2 3.88Å | ||
| 288 | A | 83 | Confident | 78.3 | Confident | 40 Ų | 40 | 63.9 Ų | 63.9 | 33% | 0.331 | 36% | 0.362 | S | S | . | . | trans | -86.9 | 160.9 | 166.1 | 0 | 0 | 0 | 0 | 0 | 111 | F333 | A288-F333 HydrophobicContact CB-CE1 4.02Å; A288-F333 HydrophobicContact CB-CE2 4.45Å; A288-F333 HydrophobicContact CB-CZ 3.68Å; A288-F333 VanDerWaalsContact O-CE2 3.23Å; A288-F333 WeakPolarHBondContact O-CE2 3.46Å; A288-F333 WeakPolarHBondContact O-CZ 3.36Å | ||
| 289 | I | 86.2 | Confident | 79.3 | Confident | 114 Ų | 114 | 62.1 Ų | 62.1 | 59% | 0.585 | 36% | 0.355 | S | S | * | . | trans | -75.4 | 133.5 | 169.8 | -59.3 | 174.8 | 0 | 0 | 0 | 108.2 | P323 | I289-P323 HydrophobicContact CD1-CB 4.49Š| ||
| 290 | I | 88.1 | Confident | 80.8 | Confident | 8 Ų | 8 | 57.8 Ų | 57.8 | 4% | 0.041 | 33% | 0.332 | C | S | . | . | trans | -97.2 | 111.3 | 176.2 | -56.3 | 175.9 | 0 | 0 | 0 | 107.2 | D295 I296 L320 L321 Y332 F333 | I290-D295 HydrophobicContact CG2-CB 3.77Å; I290-I296 HydrophobicContact CG2-CG1 3.91Å; I290-L320 HydrophobicContact CD1-CB 4.28Å; I290-L320 HydrophobicContact CD1-CD2 4.32Å; I290-L321 HydrophobicContact CB-CD2 4.28Å; I290-L321 HydrophobicContact CG2-CD2 3.95Å; I290-L321 WeakPolarHBondContact O-CD2 3.42Å; I290-Y332 HydrophobicContact CD1-CD1 3.71Å; I290-Y332 HydrophobicContact CD1-CE1 3.52Å; I290-Y332 HydrophobicContact CD1-CG 4.28Å; I290-Y332 HydrophobicContact CG1-CE1 4.4Å; I290-F333 HydrophobicContact CD1-CE2 4.4Å; I290-F333 HydrophobicContact CD1-CZ 4.46Å; I290-F333 HydrophobicContact CG1-CE2 4.37Å; I290-F333 HydrophobicContact CG1-CZ 4.14Å | ||
| 291 | P | 84.9 | Confident | 82.2 | Confident | 92 Ų | 92 | 56.6 Ų | 56.6 | 60% | 0.597 | 32% | 0.321 | S | S | * | . | trans | -69.3 | -38.7 | -167.4 | -23.4 | 35 | 0 | 0 | 0 | 115 | ||||
| 292 | T | 87.4 | Confident | 83.2 | Confident | 66 Ų | 66 | 59.8 Ų | 59.8 | 41% | 0.405 | 34% | 0.344 | S | S | . | . | S | Bend | trans | -141.7 | 163 | -175.8 | 77.2 | 0 | 0 | 0 | 0 | 112.3 | A294 D295 L321 | T292-A294 PolarHBondContact O-N 3.17Å; T292-A294 VanDerWaalsContact O-N 3.09Å; T292-A294 PolarHBondContact OG1-N 3.47Å; T292-D295 WeakPolarHBondContact CA-OD2 3.45Å; T292-D295 WeakPolarHBondContact CB-OD2 3.47Å; T292-D295 PolarHBondContact N-OD2 3.46Å; T292-D295 WeakPolarHBondContact O-CB 3.4Å; T292-D295 PolarHBondContact O-N 2.93Å; T292-D295 PolarHBondContact OG1-OD2 2.91Å; T292-L321 WeakPolarHBondContact O-CD2 3.29Å |
| 293 | R | 88.6 | Confident | 84.2 | Confident | 151 Ų | 151 | 58.1 Ų | 58.1 | 57% | 0.57 | 33% | 0.334 | S | S | * | . | G | 310 helix | trans | -59.1 | -20.2 | 173.1 | -165.5 | 177.8 | -174.8 | 169 | 6.4 | 113 | I296 V317 L321 | R293-I296 HydrophobicContact CG-CD1 4.35Å; R293-V317 HydrophobicContact CG-CG1 4.04Å; R293-L321 HydrophobicContact CB-CD1 4.37Å |
| 294 | A | 87.5 | Confident | 85.1 | Confident | 79 Ų | 79 | 51.6 Ų | 51.6 | 65% | 0.653 | 30% | 0.303 | S | S | * | . | G | 310 helix | trans | -80.6 | -15.8 | 176.5 | 0 | 0 | 0 | 0 | 0 | 113.6 | T292 I296 | T292-A294 PolarHBondContact O-N 3.17Å; T292-A294 VanDerWaalsContact O-N 3.09Å; T292-A294 PolarHBondContact OG1-N 3.47Å; A294-I296 VanDerWaalsContact C-N 3.34Å |
| 295 | D | 88.5 | Confident | 86 | Confident | 28 Ų | 28 | 49.7 Ų | 49.7 | 15% | 0.15 | 28% | 0.284 | C | S | . | . | G | 310 helix | trans | -86.8 | -6 | 174.9 | -56.2 | -69.5 | 0 | 0 | 0 | 112.6 | I290 T292 Y332 L372 | I290-D295 HydrophobicContact CG2-CB 3.77Å; T292-D295 WeakPolarHBondContact CA-OD2 3.45Å; T292-D295 WeakPolarHBondContact CB-OD2 3.47Å; T292-D295 PolarHBondContact N-OD2 3.46Å; T292-D295 WeakPolarHBondContact O-CB 3.4Å; T292-D295 PolarHBondContact O-N 2.93Å; T292-D295 PolarHBondContact OG1-OD2 2.91Å; D295-Y332 PolarHBondContact O-OH 2.82Å; D295-L372 HydrophobicContact CB-CD1 3.77Å; D295-L372 VanDerWaalsContact OD1-CD1 3.25Å; D295-L372 WeakPolarHBondContact OD1-CD1 3.49Å |
| 296 | I | 90.8 | Very high | 86.5 | Confident | 19 Ų | 19 | 50 Ų | 50 | 10% | 0.097 | 29% | 0.288 | C | S | . | . | S | Bend | trans | -80 | 119.8 | 176 | -59 | 177.3 | 0 | 0 | 0 | 109.4 | I290 R293 A294 F301 V317 L320 L321 Y332 | I290-I296 HydrophobicContact CG2-CG1 3.91Å; R293-I296 HydrophobicContact CG-CD1 4.35Å; A294-I296 VanDerWaalsContact C-N 3.34Å; I296-F301 HydrophobicContact CG2-CB 4.06Å; I296-F301 HydrophobicContact CG2-CD2 3.87Å; I296-F301 HydrophobicContact CG2-CG 4.3Å; I296-V317 HydrophobicContact CD1-CG1 4.2Å; I296-V317 HydrophobicContact CD1-CG2 4.29Å; I296-L320 HydrophobicContact CD1-CB 4.3Å; I296-L320 HydrophobicContact CD1-CD1 4.41Å; I296-L320 HydrophobicContact CG2-CD1 4.33Å; I296-L321 HydrophobicContact CD1-CD2 4.14Å; I296-L321 HydrophobicContact CD1-CG 4.33Å; I296-L321 HydrophobicContact CG1-CD2 4.42Å; I296-Y332 HydrophobicContact CG2-CE2 4.01Å |
| 297 | D | 89.2 | Confident | 86.7 | Confident | 10 Ų | 10 | 44 Ų | 44 | 5% | 0.053 | 26% | 0.26 | C | S | . | . | trans | -68.1 | 123.4 | 178 | -173.5 | -61.6 | 0 | 0 | 0 | 111.2 | D299 I300 F301 Y332 K339 | D297-D299 VanDerWaalsContact C-N 3.35Å; D297-D299 PolarHBondContact O-N 2.94Å; D297-D299 PolarHBondContact OD1-N 3.28Å; D297-I300 HydrophobicContact CB-CB 4.05Å; D297-I300 HydrophobicContact CB-CG1 3.65Å; D297-I300 PolarHBondContact O-N 2.85Å; D297-I300 PolarHBondContact OD1-N 2.85Å; D297-F301 PolarHBondContact O-N 3.36Å; D297-Y332 HydrophobicContact CB-CE2 4.39Å; D297-Y332 PolarHBondContact N-OH 2.98Å; D297-K339 IonicContact OD1-NZ 2.76Å; D297-K339 PolarHBondContact OD1-NZ 2.95Å; D297-K339 IonicContact OD2-NZ 3.45Å; D297-K339 PolarHBondContact OD2-NZ 3.18Å | ||
| 298 | P | 88.9 | Confident | 86.4 | Confident | 76 Ų | 76 | 44.7 Ų | 44.7 | 49% | 0.494 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -68.7 | -30.4 | -171 | 27.3 | -35.3 | 0 | 0 | 0 | 113.4 | S302 | P298-S302 VanDerWaalsContact O-CB 3.29Å; P298-S302 WeakPolarHBondContact O-CB 3.48Å; P298-S302 PolarHBondContact O-N 2.78Å |
| 299 | D | 86.6 | Confident | 85.7 | Confident | 42 Ų | 42 | 45.1 Ų | 45.1 | 23% | 0.225 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -76.4 | -35.2 | 179.5 | -51.2 | -48.1 | 0 | 0 | 0 | 110.6 | D297 T303 K339 S367 | D297-D299 VanDerWaalsContact C-N 3.35Å; D297-D299 PolarHBondContact O-N 2.94Å; D297-D299 PolarHBondContact OD1-N 3.28Å; D299-T303 WeakPolarHBondContact O-CB 3.4Å; D299-T303 PolarHBondContact O-N 3.2Å; D299-T303 PolarHBondContact O-OG1 2.57Å; D299-K339 WeakPolarHBondContact OD2-CE 3.44Å; D299-K339 IonicContact OD2-NZ 2.74Å; D299-K339 PolarHBondContact OD2-NZ 3.26Å; D299-S367 WeakPolarHBondContact OD2-CA 3.43Å; D299-S367 WeakPolarHBondContact OD2-CB 3.49Å; D299-S367 PolarHBondContact OD2-N 2.83Å; D299-S367 PolarHBondContact OD2-OG 2.83Å |
| 300 | I | 89.6 | Confident | 85.3 | Confident | 2 Ų | 2 | 40.4 Ų | 40.4 | 1% | 0.01 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -65.6 | -47.4 | 173.5 | -53.9 | -56.7 | 0 | 0 | 0 | 109.6 | D297 S302 T303 M304 Y332 L335 L336 K339 | D297-I300 HydrophobicContact CB-CB 4.05Å; D297-I300 HydrophobicContact CB-CG1 3.65Å; D297-I300 PolarHBondContact O-N 2.85Å; D297-I300 PolarHBondContact OD1-N 2.85Å; I300-S302 PolarHBondContact O-N 2.81Å; I300-T303 CarbonylContact O-C 3.52Å; I300-T303 WeakPolarHBondContact O-CB 3.33Å; I300-T303 PolarHBondContact O-N 3.26Å; I300-T303 VanDerWaalsContact O-N 3.12Å; I300-M304 HydrophobicContact CG2-CG 4.35Å; I300-M304 HydrophobicContact CG2-SD 4.19Å; I300-M304 WeakPolarHBondContact O-CG 3.5Å; I300-M304 PolarHBondContact O-N 3.35Å; I300-Y332 HydrophobicContact CB-CD2 4.1Å; I300-Y332 HydrophobicContact CB-CE2 3.95Å; I300-Y332 HydrophobicContact CG2-CD2 3.37Å; I300-Y332 HydrophobicContact CG2-CE2 3.74Å; I300-Y332 HydrophobicContact CG2-CG 4.04Å; I300-L335 VanDerWaalsContact CD1-C 3.47Å; I300-L335 HydrophobicContact CD1-CB 3.83Å; I300-L335 WeakPolarHBondContact CD1-O 3.35Å; I300-L335 HydrophobicContact CG2-CB 3.83Å; I300-L335 HydrophobicContact CG2-CD1 4.2Å; I300-L336 HydrophobicContact CG1-CB 4.49Å; I300-K339 HydrophobicContact CD1-CB 4.13Å; I300-K339 HydrophobicContact CD1-CD 3.86Å; I300-K339 HydrophobicContact CG1-CD 4.34Å |
| 301 | F | 91 | Very high | 84.6 | Confident | 29 Ų | 29 | 48.3 Ų | 48.3 | 13% | 0.127 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -60.3 | -42.5 | 177.4 | -167.8 | -95.1 | 0 | 0 | 0 | 112.7 | I296 D297 M304 T305 Q313 L316 V317 L320 | I296-F301 HydrophobicContact CG2-CB 4.06Å; I296-F301 HydrophobicContact CG2-CD2 3.87Å; I296-F301 HydrophobicContact CG2-CG 4.3Å; D297-F301 PolarHBondContact O-N 3.36Å; F301-M304 PolarHBondContact O-N 3.48Å; F301-T305 HydrophobicContact CD1-CG2 4.29Å; F301-T305 HydrophobicContact CE1-CG2 3.98Å; F301-T305 HydrophobicContact CZ-CG2 4.34Å; F301-T305 WeakPolarHBondContact O-CG2 3.45Å; F301-T305 PolarHBondContact O-N 3.13Å; F301-T305 PolarHBondContact O-OG1 2.81Å; F301-Q313 HydrophobicContact CE1-CB 4.37Å; F301-Q313 HydrophobicContact CZ-CB 4.09Å; F301-L316 HydrophobicContact CD2-CD2 3.81Å; F301-L316 HydrophobicContact CD2-CG 4.27Å; F301-L316 HydrophobicContact CE2-CB 4.2Å; F301-L316 HydrophobicContact CE2-CD2 3.48Å; F301-L316 VanDerWaalsContact CE2-CD2 3.48Å; F301-L316 HydrophobicContact CE2-CG 3.7Å; F301-L316 HydrophobicContact CZ-CD2 3.97Å; F301-L316 HydrophobicContact CZ-CG 4.39Å; F301-V317 HydrophobicContact CE2-CG2 3.57Å; F301-V317 HydrophobicContact CZ-CG2 3.75Å; F301-L320 HydrophobicContact CD2-CD1 4.09Å; F301-L320 HydrophobicContact CE2-CD1 4.39Å |
| 302 | S | 86.8 | Confident | 84.5 | Confident | 68 Ų | 68 | 48 Ų | 48 | 48% | 0.476 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -62.6 | -40.2 | 172.8 | -175.8 | 0 | 0 | 0 | 0 | 112.6 | P298 I300 T305 S306 | P298-S302 VanDerWaalsContact O-CB 3.29Å; P298-S302 WeakPolarHBondContact O-CB 3.48Å; P298-S302 PolarHBondContact O-N 2.78Å; I300-S302 PolarHBondContact O-N 2.81Å; S302-T305 PolarHBondContact O-OG1 2.81Å; S302-T305 VanDerWaalsContact O-OG1 3.13Å; S302-S306 WeakPolarHBondContact O-CB 3.3Å; S302-S306 PolarHBondContact O-N 3.27Å; S302-S306 PolarHBondContact O-OG 3Å |
| 303 | T | 85.7 | Confident | 84.6 | Confident | 21 Ų | 21 | 49.2 Ų | 49.2 | 13% | 0.129 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -67.4 | -38.4 | 175.3 | -55.5 | 0 | 0 | 0 | 0 | 111.6 | A65 D299 I300 S306 L335 | A65-T303 HydrophobicContact CB-CG2 3.74Å; D299-T303 WeakPolarHBondContact O-CB 3.4Å; D299-T303 PolarHBondContact O-N 3.2Å; D299-T303 PolarHBondContact O-OG1 2.57Å; I300-T303 CarbonylContact O-C 3.52Å; I300-T303 WeakPolarHBondContact O-CB 3.33Å; I300-T303 PolarHBondContact O-N 3.26Å; I300-T303 VanDerWaalsContact O-N 3.12Å; T303-S306 WeakPolarHBondContact O-CB 3.39Å; T303-L335 HydrophobicContact CG2-CD1 3.87Å; T303-L335 HydrophobicContact CG2-CD2 3.99Å |
| 304 | M | 87.2 | Confident | 84.7 | Confident | 0 Ų | 0 | 47.4 Ų | 47.4 | 0% | 0 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -68.2 | -49.5 | 178.8 | -74.4 | -176.9 | 77.3 | 0 | 0 | 112.6 | I300 F301 S306 L307 F310 L316 L320 E328 I331 Y332 L335 | I300-M304 HydrophobicContact CG2-CG 4.35Å; I300-M304 HydrophobicContact CG2-SD 4.19Å; I300-M304 WeakPolarHBondContact O-CG 3.5Å; I300-M304 PolarHBondContact O-N 3.35Å; F301-M304 PolarHBondContact O-N 3.48Å; M304-S306 PolarHBondContact O-N 2.97Å; M304-L307 VanDerWaalsContact O-CB 3.25Å; M304-L307 WeakPolarHBondContact O-CB 3.39Å; M304-L307 PolarHBondContact O-N 3.28Å; M304-F310 HydrophobicContact CB-CD2 4.11Å; M304-F310 HydrophobicContact CE-CD2 4.06Å; M304-F310 HydrophobicContact CE-CE2 3.87Å; M304-F310 HydrophobicContact CE-CZ 4.5Å; M304-L316 HydrophobicContact CB-CD2 4.07Å; M304-L316 HydrophobicContact CE-CD1 3.69Å; M304-L320 HydrophobicContact CE-CD2 4.36Å; M304-L320 HydrophobicContact SD-CD1 4.4Å; M304-E328 HydrophobicContact CE-CB 4.49Å; M304-E328 WeakPolarHBondContact CE-O 3.32Å; M304-I331 HydrophobicContact CE-CB 4.17Å; M304-I331 HydrophobicContact CE-CG2 4.03Å; M304-I331 HydrophobicContact CG-CG2 4.1Å; M304-Y332 HydrophobicContact SD-CD2 3.99Å; M304-Y332 HydrophobicContact SD-CG 4.38Å; M304-L335 HydrophobicContact CG-CD1 3.69Å |
| 305 | T | 86.8 | Confident | 84.8 | Confident | 29 Ų | 29 | 50.1 Ų | 50.1 | 18% | 0.178 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -59.4 | -33.1 | 177.4 | 49.5 | 0 | 0 | 0 | 0 | 112 | F301 S302 L307 Q308 Q313 L316 | F301-T305 HydrophobicContact CD1-CG2 4.29Å; F301-T305 HydrophobicContact CE1-CG2 3.98Å; F301-T305 HydrophobicContact CZ-CG2 4.34Å; F301-T305 WeakPolarHBondContact O-CG2 3.45Å; F301-T305 PolarHBondContact O-N 3.13Å; F301-T305 PolarHBondContact O-OG1 2.81Å; S302-T305 PolarHBondContact O-OG1 2.81Å; S302-T305 VanDerWaalsContact O-OG1 3.13Å; T305-L307 PolarHBondContact O-N 3.43Å; T305-Q308 PolarHBondContact O-N 3.31Å; T305-Q308 VanDerWaalsContact O-N 3.09Å; T305-Q313 HydrophobicContact CG2-CG 4.03Å; T305-L316 HydrophobicContact CG2-CD2 3.81Å |
| 306 | S | 83.4 | Confident | 84.9 | Confident | 33 Ų | 33 | 49 Ų | 49 | 23% | 0.231 | 25% | 0.246 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -62.7 | -17.6 | 173.3 | -61.5 | 0 | 0 | 0 | 0 | 114.9 | S302 T303 M304 Q308 | S302-S306 WeakPolarHBondContact O-CB 3.3Å; S302-S306 PolarHBondContact O-N 3.27Å; S302-S306 PolarHBondContact O-OG 3Å; T303-S306 WeakPolarHBondContact O-CB 3.39Å; M304-S306 PolarHBondContact O-N 2.97Å; S306-Q308 PolarHBondContact O-N 3.4Å |
| 307 | L | 78.7 | Confident | 84.9 | Confident | 1 Ų | 1 | 48.7 Ų | 48.7 | 1% | 0.005 | 25% | 0.245 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -73.9 | -13.1 | 174.8 | -61.1 | 161.6 | 0 | 0 | 0 | 112.7 | A65 I66 L162 M304 T305 C309 F310 I331 | A65-L307 HydrophobicContact CB-CD2 3.53Å; A65-L307 HydrophobicContact CB-CG 3.96Å; I66-L307 HydrophobicContact CG1-CD2 3.7Å; L162-L307 HydrophobicContact CD1-CB 4.1Å; L162-L307 HydrophobicContact CD1-CD1 3.69Å; L162-L307 HydrophobicContact CD1-CD2 4.41Å; L162-L307 HydrophobicContact CD1-CG 4.28Å; M304-L307 VanDerWaalsContact O-CB 3.25Å; M304-L307 WeakPolarHBondContact O-CB 3.39Å; M304-L307 PolarHBondContact O-N 3.28Å; T305-L307 PolarHBondContact O-N 3.43Å; L307-C309 PolarHBondContact O-N 3.2Å; L307-C309 VanDerWaalsContact O-N 3.08Å; L307-F310 HydrophobicContact CD1-CE2 4.31Å; L307-I331 HydrophobicContact CD1-CG2 4Å |
| 308 | Q | 75 | Confident | 85 | Confident | 30 Ų | 30 | 54.6 Ų | 54.6 | 14% | 0.14 | 27% | 0.272 | C | S | . | . | S | Bend | trans | 60.9 | 5.6 | 176 | -41.6 | 172.1 | 18 | 0 | 0 | 117.6 | Q58 R62 T305 S306 R311 | Q58-Q308 PolarHBondContact O-NE2 3.46Å; R62-Q308 VanDerWaalsContact NH2-CD 3.34Å; T305-Q308 PolarHBondContact O-N 3.31Å; T305-Q308 VanDerWaalsContact O-N 3.09Å; S306-Q308 PolarHBondContact O-N 3.4Å; Q308-R311 VanDerWaalsContact O-CG 3.29Å; Q308-R311 WeakPolarHBondContact O-CG 3.31Å; Q308-R311 PolarHBondContact O-NE 2.89Å; Q308-R311 VanDerWaalsContact O-NE 3.12Å |
| 309 | C | 68.6 | Low | 85.1 | Confident | 50 Ų | 50 | 53.1 Ų | 53.1 | 34% | 0.338 | 26% | 0.259 | S | S | . | . | S | Bend | trans | -77.8 | -41.9 | 158.9 | 40 | 0 | 0 | 0 | 0 | 109.5 | L162 L307 R311 | L162-C309 VanDerWaalsContact CD1-SG 3.56Å; L307-C309 PolarHBondContact O-N 3.2Å; L307-C309 VanDerWaalsContact O-N 3.08Å; C309-R311 VanDerWaalsContact C-N 3.34Å; C309-R311 PolarHBondContact O-N 3.43Å; C309-R311 VanDerWaalsContact O-N 3.16Å |
| 310 | F | 78 | Confident | 85.4 | Confident | 15 Ų | 15 | 51.1 Ų | 51.1 | 7% | 0.066 | 25% | 0.249 | C | C | . | . | trans | -89.7 | 63.7 | 177 | -41.3 | -53.6 | 0 | 0 | 0 | 111.4 | L162 M304 L307 L316 E328 I331 | L162-F310 HydrophobicContact CD1-CE2 4.12Å; L162-F310 HydrophobicContact CD1-CZ 4.36Å; M304-F310 HydrophobicContact CB-CD2 4.11Å; M304-F310 HydrophobicContact CE-CD2 4.06Å; M304-F310 HydrophobicContact CE-CE2 3.87Å; M304-F310 HydrophobicContact CE-CZ 4.5Å; L307-F310 HydrophobicContact CD1-CE2 4.31Å; F310-L316 HydrophobicContact CB-CB 4.3Å; F310-L316 HydrophobicContact CB-CD1 4.04Å; F310-L316 HydrophobicContact CB-CD2 3.84Å; F310-L316 HydrophobicContact CB-CG 4.26Å; F310-L316 HydrophobicContact CD1-CD1 4.23Å; F310-L316 HydrophobicContact CD2-CD1 4.36Å; F310-L316 HydrophobicContact CG-CD1 3.94Å; F310-L316 HydrophobicContact CG-CD2 4.46Å; F310-E328 HydrophobicContact CD1-CG 4.11Å; F310-E328 HydrophobicContact CE1-CG 3.68Å; F310-E328 WeakPolarHBondContact CE1-OE1 3.13Å; F310-E328 HydrophobicContact CZ-CG 4.26Å; F310-I331 HydrophobicContact CE2-CD1 3.93Å; F310-I331 HydrophobicContact CE2-CG2 4.47Å; F310-I331 HydrophobicContact CZ-CD1 3.68Å | ||
| 311 | R | 73.7 | Confident | 85.5 | Confident | 173 Ų | 173 | 53.7 Ų | 53.7 | 65% | 0.653 | 26% | 0.262 | S | S | * | . | trans | -78.1 | -35.4 | 176.9 | -64.4 | -177.9 | 176.8 | -146.6 | -10.2 | 112.6 | Q308 C309 Q313 | Q308-R311 VanDerWaalsContact O-CG 3.29Å; Q308-R311 WeakPolarHBondContact O-CG 3.31Å; Q308-R311 PolarHBondContact O-NE 2.89Å; Q308-R311 VanDerWaalsContact O-NE 3.12Å; C309-R311 VanDerWaalsContact C-N 3.34Å; C309-R311 PolarHBondContact O-N 3.43Å; C309-R311 VanDerWaalsContact O-N 3.16Å; R311-Q313 PolarHBondContact O-N 2.81Å | ||
| 312 | D | 82.8 | Confident | 85.4 | Confident | 87 Ų | 87 | 53.7 Ų | 53.7 | 47% | 0.465 | 27% | 0.266 | S | S | . | . | trans | -75.6 | 106.6 | 173.3 | -171.7 | -27.9 | 0 | 0 | 0 | 107.6 | E314 R315 L316 | D312-E314 PolarHBondContact OD1-N 3.38Å; D312-R315 HydrophobicContact CB-CB 3.99Å; D312-R315 VanDerWaalsContact OD1-CB 3.28Å; D312-R315 WeakPolarHBondContact OD1-CB 3.33Å; D312-R315 PolarHBondContact OD1-N 2.86Å; D312-L316 WeakPolarHBondContact O-CB 3.48Å; D312-L316 PolarHBondContact O-N 3.01Å; D312-L316 VanDerWaalsContact O-N 3.12Å | ||
| 313 | Q | 89.5 | Confident | 85.4 | Confident | 90 Ų | 90 | 55.3 Ų | 55.3 | 42% | 0.421 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -79 | -36 | -173.6 | -63.6 | -165.1 | -5.8 | 0 | 0 | 111 | F301 T305 R311 L316 V317 | F301-Q313 HydrophobicContact CE1-CB 4.37Å; F301-Q313 HydrophobicContact CZ-CB 4.09Å; T305-Q313 HydrophobicContact CG2-CG 4.03Å; R311-Q313 PolarHBondContact O-N 2.81Å; Q313-L316 PolarHBondContact O-N 2.85Å; Q313-V317 WeakPolarHBondContact O-CG2 3.36Å; Q313-V317 PolarHBondContact O-N 2.95Å |
| 314 | E | 90.3 | Very high | 85.5 | Confident | 113 Ų | 113 | 58.7 Ų | 58.7 | 53% | 0.528 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -62 | -53.5 | 176.1 | -72.6 | 52.7 | -125.6 | 0 | 0 | 109.4 | D312 L316 V317 E318 | D312-E314 PolarHBondContact OD1-N 3.38Å; E314-L316 VanDerWaalsContact C-N 3.32Å; E314-L316 PolarHBondContact O-N 3.42Å; E314-V317 WeakPolarHBondContact O-CB 3.36Å; E314-V317 PolarHBondContact O-N 2.83Å; E314-E318 WeakPolarHBondContact O-CG 3.34Å; E314-E318 PolarHBondContact O-N 3.48Å |
| 315 | R | 89 | Confident | 85.3 | Confident | 137 Ų | 137 | 62.2 Ų | 62.2 | 52% | 0.517 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -62.1 | -36.7 | 174.5 | -174 | 177.8 | 171.9 | -178 | -2.1 | 112.6 | D312 V317 E318 E319 | D312-R315 HydrophobicContact CB-CB 3.99Å; D312-R315 VanDerWaalsContact OD1-CB 3.28Å; D312-R315 WeakPolarHBondContact OD1-CB 3.33Å; D312-R315 PolarHBondContact OD1-N 2.86Å; R315-V317 VanDerWaalsContact C-N 3.3Å; R315-V317 PolarHBondContact O-N 2.98Å; R315-E318 PolarHBondContact O-N 2.94Å; R315-E319 HydrophobicContact CG-CG 4.06Å; R315-E319 IonicContact CZ-OE1 2.71Å; R315-E319 IonicContact NE-OE1 3.08Å; R315-E319 PolarHBondContact NE-OE1 3.08Å; R315-E319 IonicContact NH2-OE1 2.71Å; R315-E319 PolarHBondContact NH2-OE1 2.78Å; R315-E319 WeakPolarHBondContact O-CB 3.2Å; R315-E319 VanDerWaalsContact O-CG 3.26Å; R315-E319 WeakPolarHBondContact O-CG 3.26Å; R315-E319 PolarHBondContact O-N 2.87Å |
| 316 | L | 90.7 | Very high | 85.2 | Confident | 3 Ų | 3 | 61.8 Ų | 61.8 | 2% | 0.016 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -61.7 | -39.5 | 174 | 177.2 | 61.8 | 0 | 0 | 0 | 111.4 | F301 M304 T305 F310 D312 Q313 E314 L320 E328 | F301-L316 HydrophobicContact CD2-CD2 3.81Å; F301-L316 HydrophobicContact CD2-CG 4.27Å; F301-L316 HydrophobicContact CE2-CB 4.2Å; F301-L316 HydrophobicContact CE2-CD2 3.48Å; F301-L316 VanDerWaalsContact CE2-CD2 3.48Å; F301-L316 HydrophobicContact CE2-CG 3.7Å; F301-L316 HydrophobicContact CZ-CD2 3.97Å; F301-L316 HydrophobicContact CZ-CG 4.39Å; M304-L316 HydrophobicContact CB-CD2 4.07Å; M304-L316 HydrophobicContact CE-CD1 3.69Å; T305-L316 HydrophobicContact CG2-CD2 3.81Å; F310-L316 HydrophobicContact CB-CB 4.3Å; F310-L316 HydrophobicContact CB-CD1 4.04Å; F310-L316 HydrophobicContact CB-CD2 3.84Å; F310-L316 HydrophobicContact CB-CG 4.26Å; F310-L316 HydrophobicContact CD1-CD1 4.23Å; F310-L316 HydrophobicContact CD2-CD1 4.36Å; F310-L316 HydrophobicContact CG-CD1 3.94Å; F310-L316 HydrophobicContact CG-CD2 4.46Å; D312-L316 WeakPolarHBondContact O-CB 3.48Å; D312-L316 PolarHBondContact O-N 3.01Å; D312-L316 VanDerWaalsContact O-N 3.12Å; Q313-L316 PolarHBondContact O-N 2.85Å; E314-L316 VanDerWaalsContact C-N 3.32Å; E314-L316 PolarHBondContact O-N 3.42Å; L316-L320 HydrophobicContact CD1-CD1 3.99Å; L316-L320 HydrophobicContact CD1-CG 4.06Å; L316-L320 HydrophobicContact CG-CD1 3.99Å; L316-L320 HydrophobicContact CG-CG 4.46Å; L316-L320 WeakPolarHBondContact O-CB 3.5Å; L316-L320 WeakPolarHBondContact O-CG 3.45Å; L316-L320 PolarHBondContact O-N 3.45Å; L316-E328 HydrophobicContact CD1-CB 4.28Å; L316-E328 HydrophobicContact CD1-CG 4.17Å |
| 317 | V | 92.3 | Very high | 85.2 | Confident | 13 Ų | 13 | 61.6 Ų | 61.6 | 8% | 0.079 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -65 | -43.9 | 173.9 | 171.1 | 0 | 0 | 0 | 0 | 110.9 | R293 I296 F301 Q313 E314 R315 L320 L321 | R293-V317 HydrophobicContact CG-CG1 4.04Å; I296-V317 HydrophobicContact CD1-CG1 4.2Å; I296-V317 HydrophobicContact CD1-CG2 4.29Å; F301-V317 HydrophobicContact CE2-CG2 3.57Å; F301-V317 HydrophobicContact CZ-CG2 3.75Å; Q313-V317 WeakPolarHBondContact O-CG2 3.36Å; Q313-V317 PolarHBondContact O-N 2.95Å; E314-V317 WeakPolarHBondContact O-CB 3.36Å; E314-V317 PolarHBondContact O-N 2.83Å; R315-V317 VanDerWaalsContact C-N 3.3Å; R315-V317 PolarHBondContact O-N 2.98Å; V317-L320 PolarHBondContact O-N 2.9Å; V317-L321 HydrophobicContact CG1-CD1 3.63Å; V317-L321 HydrophobicContact CG1-CG 4.17Å; V317-L321 WeakPolarHBondContact O-CB 3.48Å; V317-L321 VanDerWaalsContact O-CG 3.28Å; V317-L321 WeakPolarHBondContact O-CG 3.48Å; V317-L321 PolarHBondContact O-N 2.87Å |
| 318 | E | 91 | Very high | 85.6 | Confident | 134 Ų | 134 | 63 Ų | 63 | 63% | 0.626 | 31% | 0.312 | S | S | * | . | H | α-helix | trans | -59.8 | -48.1 | 176.5 | -68.6 | 173.4 | 174.1 | 0 | 0 | 112.3 | E314 R315 L320 L321 S322 | E314-E318 WeakPolarHBondContact O-CG 3.34Å; E314-E318 PolarHBondContact O-N 3.48Å; R315-E318 PolarHBondContact O-N 2.94Å; E318-L320 VanDerWaalsContact C-N 3.3Å; E318-L320 PolarHBondContact O-N 2.82Å; E318-L321 PolarHBondContact O-N 2.99Å; E318-S322 WeakPolarHBondContact O-CB 3.49Å; E318-S322 PolarHBondContact O-N 3.08Å |
| 319 | E | 90.7 | Very high | 86.3 | Confident | 46 Ų | 46 | 61.7 Ų | 61.7 | 22% | 0.215 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -65.9 | -30.6 | 177.8 | -66.2 | -78.7 | -168.2 | 0 | 0 | 111.7 | R315 N326 E328 K329 | R315-E319 HydrophobicContact CG-CG 4.06Å; R315-E319 IonicContact CZ-OE1 2.71Å; R315-E319 IonicContact NE-OE1 3.08Å; R315-E319 PolarHBondContact NE-OE1 3.08Å; R315-E319 IonicContact NH2-OE1 2.71Å; R315-E319 PolarHBondContact NH2-OE1 2.78Å; R315-E319 WeakPolarHBondContact O-CB 3.2Å; R315-E319 VanDerWaalsContact O-CG 3.26Å; R315-E319 WeakPolarHBondContact O-CG 3.26Å; R315-E319 PolarHBondContact O-N 2.87Å; E319-N326 PolarHBondContact O-ND2 3.41Å; E319-N326 PolarHBondContact O-OD1 3.12Å; E319-N326 PolarHBondContact OE2-ND2 3.21Å; E319-E328 HydrophobicContact CB-CB 4.06Å; E319-E328 HydrophobicContact CB-CG 3.78Å; E319-E328 HydrophobicContact CG-CG 4.32Å; E319-K329 PolarHBondContact O-NZ 2.63Å |
| 320 | L | 91.8 | Very high | 87 | Confident | 0 Ų | 0 | 59.3 Ų | 59.3 | 0% | 0 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -76.4 | -34.9 | 174.2 | -73.4 | 174.9 | 0 | 0 | 0 | 113.4 | I290 I296 F301 M304 L316 V317 E318 E328 K329 Y332 | I290-L320 HydrophobicContact CD1-CB 4.28Å; I290-L320 HydrophobicContact CD1-CD2 4.32Å; I296-L320 HydrophobicContact CD1-CB 4.3Å; I296-L320 HydrophobicContact CD1-CD1 4.41Å; I296-L320 HydrophobicContact CG2-CD1 4.33Å; F301-L320 HydrophobicContact CD2-CD1 4.09Å; F301-L320 HydrophobicContact CE2-CD1 4.39Å; M304-L320 HydrophobicContact CE-CD2 4.36Å; M304-L320 HydrophobicContact SD-CD1 4.4Å; L316-L320 HydrophobicContact CD1-CD1 3.99Å; L316-L320 HydrophobicContact CD1-CG 4.06Å; L316-L320 HydrophobicContact CG-CD1 3.99Å; L316-L320 HydrophobicContact CG-CG 4.46Å; L316-L320 WeakPolarHBondContact O-CB 3.5Å; L316-L320 WeakPolarHBondContact O-CG 3.45Å; L316-L320 PolarHBondContact O-N 3.45Å; V317-L320 PolarHBondContact O-N 2.9Å; E318-L320 VanDerWaalsContact C-N 3.3Å; E318-L320 PolarHBondContact O-N 2.82Å; L320-E328 HydrophobicContact CD2-CB 4.41Å; L320-K329 HydrophobicContact CD2-CG 4.17Å; L320-K329 VanDerWaalsContact O-CE 3.23Å; L320-K329 WeakPolarHBondContact O-CE 3.43Å; L320-Y332 HydrophobicContact CD1-CD2 4.2Å; L320-Y332 HydrophobicContact CD2-CD2 4.15Å; L320-Y332 HydrophobicContact CD2-CG 3.94Å |
| 321 | L | 92.6 | Very high | 87.4 | Confident | 55 Ų | 55 | 58.6 Ų | 58.6 | 29% | 0.288 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -85.6 | -19.1 | 179 | -63.5 | 179.5 | 0 | 0 | 0 | 113.9 | I290 T292 R293 I296 V317 E318 | I290-L321 HydrophobicContact CB-CD2 4.28Å; I290-L321 HydrophobicContact CG2-CD2 3.95Å; I290-L321 WeakPolarHBondContact O-CD2 3.42Å; T292-L321 WeakPolarHBondContact O-CD2 3.29Å; R293-L321 HydrophobicContact CB-CD1 4.37Å; I296-L321 HydrophobicContact CD1-CD2 4.14Å; I296-L321 HydrophobicContact CD1-CG 4.33Å; I296-L321 HydrophobicContact CG1-CD2 4.42Å; V317-L321 HydrophobicContact CG1-CD1 3.63Å; V317-L321 HydrophobicContact CG1-CG 4.17Å; V317-L321 WeakPolarHBondContact O-CB 3.48Å; V317-L321 VanDerWaalsContact O-CG 3.28Å; V317-L321 WeakPolarHBondContact O-CG 3.48Å; V317-L321 PolarHBondContact O-N 2.87Å; E318-L321 PolarHBondContact O-N 2.99Å |
| 322 | S | 89.5 | Confident | 88.2 | Confident | 30 Ų | 30 | 50.7 Ų | 50.7 | 21% | 0.21 | 26% | 0.257 | C | S | . | . | S | Bend | trans | -50.2 | 142.2 | 173.3 | 165.6 | 0 | 0 | 0 | 0 | 111.6 | E318 V324 K329 | E318-S322 WeakPolarHBondContact O-CB 3.49Å; E318-S322 PolarHBondContact O-N 3.08Å; S322-V324 PolarHBondContact O-N 3.28Å; S322-V324 PolarHBondContact OG-N 3.12Å; S322-K329 WeakPolarHBondContact O-CE 3.47Å; S322-K329 PolarHBondContact O-NZ 3.37Å |
| 323 | P | 87 | Confident | 88.5 | Confident | 102 Ų | 102 | 48.1 Ų | 48.1 | 66% | 0.662 | 24% | 0.241 | S | C | * | . | S | Bend | trans | -71.2 | -11.6 | 175.3 | 30.6 | -35.9 | 0 | 0 | 0 | 113.3 | I289 | I289-P323 HydrophobicContact CD1-CB 4.49Š|
| 324 | V | 87.2 | Confident | 88.3 | Confident | 91 Ų | 91 | 45.3 Ų | 45.3 | 55% | 0.552 | 23% | 0.229 | S | C | * | . | S | Bend | trans | -82.7 | 141.1 | -173.4 | -173.5 | 0 | 0 | 0 | 0 | 111.3 | S322 N326 K329 | S322-V324 PolarHBondContact O-N 3.28Å; S322-V324 PolarHBondContact OG-N 3.12Å; V324-N326 PolarHBondContact O-N 2.95Å; V324-K329 WeakPolarHBondContact O-CE 3.06Å; V324-K329 PolarHBondContact O-NZ 2.76Å |
| 325 | H | 83.4 | Confident | 88.1 | Confident | 74 Ų | 74 | 40 Ų | 40 | 34% | 0.343 | 20% | 0.204 | S | C | . | . | trans | -69.3 | 119.9 | 168.8 | 175.6 | 86.9 | 0 | 0 | 0 | 110.5 | T282 V285 T287 V330 | T282-H325 PolarHBondContact O-NE2 3.42Å; V285-H325 PolarHBondContact O-CE1 2.91Å; T287-H325 WeakPolarHBondContact CG2-ND1 3.2Å; T287-H325 PolarHBondContact OG1-ND1 3.27Å; H325-V330 WeakPolarHBondContact CE1-CG2 3.35Å | ||
| 326 | N | 84.4 | Confident | 88.1 | Confident | 20 Ų | 20 | 34.3 Ų | 34.3 | 11% | 0.107 | 18% | 0.184 | C | C | . | . | trans | -140.9 | 166.3 | -178.8 | 58.9 | 4.1 | 0 | 0 | 0 | 111.5 | E319 V324 E328 K329 V330 | E319-N326 PolarHBondContact O-ND2 3.41Å; E319-N326 PolarHBondContact O-OD1 3.12Å; E319-N326 PolarHBondContact OE2-ND2 3.21Å; V324-N326 PolarHBondContact O-N 2.95Å; N326-E328 WeakPolarHBondContact CB-OE2 3.1Å; N326-E328 PolarHBondContact O-N 3.47Å; N326-K329 PolarHBondContact O-N 3.16Å; N326-K329 WeakPolarHBondContact OD1-CB 3.24Å; N326-K329 VanDerWaalsContact OD1-CG 3.25Å; N326-K329 WeakPolarHBondContact OD1-CG 3.33Å; N326-K329 PolarHBondContact OD1-N 3Å; N326-K329 VanDerWaalsContact OD1-N 3.14Å; N326-K329 PolarHBondContact OD1-NZ 2.71Å; N326-V330 WeakPolarHBondContact O-CG2 2.91Å; N326-V330 PolarHBondContact O-N 2.8Å; N326-V330 VanDerWaalsContact O-N 3.08Å | ||
| 327 | T | 83.1 | Confident | 87.8 | Confident | 29 Ų | 29 | 36.5 Ų | 36.5 | 18% | 0.178 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -61.6 | -33.1 | -176.4 | -53.5 | 0 | 0 | 0 | 0 | 112.1 | M281 V330 I331 | M281-T327 HydrophobicContact SD-CG2 4.33Å; T327-V330 PolarHBondContact O-N 2.84Å; T327-I331 HydrophobicContact CG2-CD1 3.86Å; T327-I331 WeakPolarHBondContact O-CD1 3.42Å; T327-I331 WeakPolarHBondContact O-CG1 3.44Å; T327-I331 PolarHBondContact O-N 3.38Å |
| 328 | E | 87.8 | Confident | 87.4 | Confident | 31 Ų | 31 | 37.5 Ų | 37.5 | 15% | 0.145 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -58 | -53 | 175.1 | -68.5 | 65.9 | -150.4 | 0 | 0 | 110.7 | M304 F310 L316 E319 L320 N326 V330 I331 Y332 | M304-E328 HydrophobicContact CE-CB 4.49Å; M304-E328 WeakPolarHBondContact CE-O 3.32Å; F310-E328 HydrophobicContact CD1-CG 4.11Å; F310-E328 HydrophobicContact CE1-CG 3.68Å; F310-E328 WeakPolarHBondContact CE1-OE1 3.13Å; F310-E328 HydrophobicContact CZ-CG 4.26Å; L316-E328 HydrophobicContact CD1-CB 4.28Å; L316-E328 HydrophobicContact CD1-CG 4.17Å; E319-E328 HydrophobicContact CB-CB 4.06Å; E319-E328 HydrophobicContact CB-CG 3.78Å; E319-E328 HydrophobicContact CG-CG 4.32Å; L320-E328 HydrophobicContact CD2-CB 4.41Å; N326-E328 WeakPolarHBondContact CB-OE2 3.1Å; N326-E328 PolarHBondContact O-N 3.47Å; E328-V330 PolarHBondContact O-N 2.75Å; E328-I331 PolarHBondContact O-N 3.04Å; E328-Y332 PolarHBondContact O-N 3.3Å |
| 329 | K | 88.5 | Confident | 87 | Confident | 2 Ų | 2 | 31.4 Ų | 31.4 | 1% | 0.009 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -63.1 | -40.6 | 174.5 | -75.7 | -179 | -167.1 | 70.7 | 0 | 112.3 | T287 E319 L320 S322 V324 N326 I331 Y332 F333 | T287-K329 HydrophobicContact CG2-CB 3.49Å; T287-K329 VanDerWaalsContact CG2-CB 3.49Å; E319-K329 PolarHBondContact O-NZ 2.63Å; L320-K329 HydrophobicContact CD2-CG 4.17Å; L320-K329 VanDerWaalsContact O-CE 3.23Å; L320-K329 WeakPolarHBondContact O-CE 3.43Å; S322-K329 WeakPolarHBondContact O-CE 3.47Å; S322-K329 PolarHBondContact O-NZ 3.37Å; V324-K329 WeakPolarHBondContact O-CE 3.06Å; V324-K329 PolarHBondContact O-NZ 2.76Å; N326-K329 PolarHBondContact O-N 3.16Å; N326-K329 WeakPolarHBondContact OD1-CB 3.24Å; N326-K329 VanDerWaalsContact OD1-CG 3.25Å; N326-K329 WeakPolarHBondContact OD1-CG 3.33Å; N326-K329 PolarHBondContact OD1-N 3Å; N326-K329 VanDerWaalsContact OD1-N 3.14Å; N326-K329 PolarHBondContact OD1-NZ 2.71Å; K329-I331 VanDerWaalsContact C-N 3.3Å; K329-I331 PolarHBondContact O-N 3.11Å; K329-Y332 WeakPolarHBondContact O-CB 3.22Å; K329-Y332 PolarHBondContact O-N 3.26Å; K329-Y332 VanDerWaalsContact O-N 3.15Å; K329-F333 HydrophobicContact CB-CD2 4.24Å; K329-F333 HydrophobicContact CB-CE2 4.37Å; K329-F333 WeakPolarHBondContact O-CD2 3.41Å; K329-F333 PolarHBondContact O-N 3.43Å |
| 330 | V | 84.3 | Confident | 86.7 | Confident | 0 Ų | 0 | 33.5 Ų | 33.5 | 0% | 0 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -57.3 | -46.4 | 178.8 | 169.8 | 0 | 0 | 0 | 0 | 111 | M281 T282 V285 T287 H325 N326 T327 E328 F333 L334 | M281-V330 HydrophobicContact CB-CG1 3.64Å; M281-V330 HydrophobicContact CE-CG1 4.19Å; M281-V330 HydrophobicContact CG-CG1 3.71Å; M281-V330 HydrophobicContact SD-CB 4.24Å; M281-V330 HydrophobicContact SD-CG1 3.39Å; M281-V330 WeakPolarHBondContact SD-CG1 3.37Å; T282-V330 HydrophobicContact CG2-CG2 4.28Å; V285-V330 HydrophobicContact CB-CG1 3.94Å; V285-V330 HydrophobicContact CG1-CG1 4.29Å; V285-V330 HydrophobicContact CG2-CG1 4.15Å; T287-V330 HydrophobicContact CG2-CB 4.5Å; T287-V330 HydrophobicContact CG2-CG2 3.78Å; H325-V330 WeakPolarHBondContact CE1-CG2 3.35Å; N326-V330 WeakPolarHBondContact O-CG2 2.91Å; N326-V330 PolarHBondContact O-N 2.8Å; N326-V330 VanDerWaalsContact O-N 3.08Å; T327-V330 PolarHBondContact O-N 2.84Å; E328-V330 PolarHBondContact O-N 2.75Å; V330-F333 PolarHBondContact O-N 2.86Å; V330-L334 HydrophobicContact CG1-CD1 3.98Å; V330-L334 WeakPolarHBondContact O-CB 3.35Å; V330-L334 WeakPolarHBondContact O-CG 3.44Å; V330-L334 PolarHBondContact O-N 2.95Å |
| 331 | I | 86.2 | Confident | 86.2 | Confident | 1 Ų | 1 | 40.5 Ų | 40.5 | 1% | 0.005 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -65.5 | -40.7 | 176.6 | -68.7 | 159 | 0 | 0 | 0 | 111.1 | L69 L162 M281 M304 L307 F310 T327 E328 K329 L334 L335 | L69-I331 HydrophobicContact CD1-CG2 4.17Å; L162-I331 HydrophobicContact CD1-CD1 3.54Å; L162-I331 HydrophobicContact CD2-CD1 4.28Å; M281-I331 HydrophobicContact CE-CG1 3.97Å; M281-I331 HydrophobicContact SD-CG1 3.99Å; M304-I331 HydrophobicContact CE-CB 4.17Å; M304-I331 HydrophobicContact CE-CG2 4.03Å; M304-I331 HydrophobicContact CG-CG2 4.1Å; L307-I331 HydrophobicContact CD1-CG2 4Å; F310-I331 HydrophobicContact CE2-CD1 3.93Å; F310-I331 HydrophobicContact CE2-CG2 4.47Å; F310-I331 HydrophobicContact CZ-CD1 3.68Å; T327-I331 HydrophobicContact CG2-CD1 3.86Å; T327-I331 WeakPolarHBondContact O-CD1 3.42Å; T327-I331 WeakPolarHBondContact O-CG1 3.44Å; T327-I331 PolarHBondContact O-N 3.38Å; E328-I331 PolarHBondContact O-N 3.04Å; K329-I331 VanDerWaalsContact C-N 3.3Å; K329-I331 PolarHBondContact O-N 3.11Å; I331-L334 PolarHBondContact O-N 3.31Å; I331-L335 HydrophobicContact CG2-CD1 3.92Å; I331-L335 HydrophobicContact CG2-CG 4.42Å; I331-L335 WeakPolarHBondContact O-CB 3.47Å; I331-L335 VanDerWaalsContact O-CG 3.31Å; I331-L335 WeakPolarHBondContact O-CG 3.32Å; I331-L335 PolarHBondContact O-N 3.47Å |
| 332 | Y | 90.1 | Very high | 85.5 | Confident | 7 Ų | 7 | 42.5 Ų | 42.5 | 3% | 0.027 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -58 | -51.1 | 174.2 | 179.1 | -92 | 0 | 0 | 0 | 112 | I290 D295 I296 D297 I300 M304 L320 E328 K329 L334 L335 L336 | I290-Y332 HydrophobicContact CD1-CD1 3.71Å; I290-Y332 HydrophobicContact CD1-CE1 3.52Å; I290-Y332 HydrophobicContact CD1-CG 4.28Å; I290-Y332 HydrophobicContact CG1-CE1 4.4Å; D295-Y332 PolarHBondContact O-OH 2.82Å; I296-Y332 HydrophobicContact CG2-CE2 4.01Å; D297-Y332 HydrophobicContact CB-CE2 4.39Å; D297-Y332 PolarHBondContact N-OH 2.98Å; I300-Y332 HydrophobicContact CB-CD2 4.1Å; I300-Y332 HydrophobicContact CB-CE2 3.95Å; I300-Y332 HydrophobicContact CG2-CD2 3.37Å; I300-Y332 HydrophobicContact CG2-CE2 3.74Å; I300-Y332 HydrophobicContact CG2-CG 4.04Å; M304-Y332 HydrophobicContact SD-CD2 3.99Å; M304-Y332 HydrophobicContact SD-CG 4.38Å; L320-Y332 HydrophobicContact CD1-CD2 4.2Å; L320-Y332 HydrophobicContact CD2-CD2 4.15Å; L320-Y332 HydrophobicContact CD2-CG 3.94Å; E328-Y332 PolarHBondContact O-N 3.3Å; K329-Y332 WeakPolarHBondContact O-CB 3.22Å; K329-Y332 PolarHBondContact O-N 3.26Å; K329-Y332 VanDerWaalsContact O-N 3.15Å; Y332-L334 PolarHBondContact O-N 3.33Å; Y332-L335 PolarHBondContact O-N 3.08Å; Y332-L336 HydrophobicContact CE1-CD2 3.99Å; Y332-L336 VanDerWaalsContact O-CB 3.23Å; Y332-L336 WeakPolarHBondContact O-CB 3.49Å; Y332-L336 PolarHBondContact O-N 3.33Å |
| 333 | F | 88.4 | Confident | 84.9 | Confident | 32 Ų | 32 | 43.8 Ų | 43.8 | 14% | 0.14 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -69.3 | -32.2 | -178.7 | -78.2 | -73.6 | 0 | 0 | 0 | 112.8 | V285 T287 A288 I290 K329 V330 L336 D337 | V285-F333 HydrophobicContact CG1-CB 4.3Å; T287-F333 HydrophobicContact CG2-CD2 3.88Å; A288-F333 HydrophobicContact CB-CE1 4.02Å; A288-F333 HydrophobicContact CB-CE2 4.45Å; A288-F333 HydrophobicContact CB-CZ 3.68Å; A288-F333 VanDerWaalsContact O-CE2 3.23Å; A288-F333 WeakPolarHBondContact O-CE2 3.46Å; A288-F333 WeakPolarHBondContact O-CZ 3.36Å; I290-F333 HydrophobicContact CD1-CE2 4.4Å; I290-F333 HydrophobicContact CD1-CZ 4.46Å; I290-F333 HydrophobicContact CG1-CE2 4.37Å; I290-F333 HydrophobicContact CG1-CZ 4.14Å; K329-F333 HydrophobicContact CB-CD2 4.24Å; K329-F333 HydrophobicContact CB-CE2 4.37Å; K329-F333 WeakPolarHBondContact O-CD2 3.41Å; K329-F333 PolarHBondContact O-N 3.43Å; V330-F333 PolarHBondContact O-N 2.86Å; F333-L336 HydrophobicContact CD1-CD2 4.13Å; F333-L336 HydrophobicContact CE1-CD2 4.23Å; F333-D337 WeakPolarHBondContact O-CB 3.49Å; F333-D337 PolarHBondContact O-N 3.37Å |
| 334 | L | 85.6 | Confident | 84.6 | Confident | 31 Ų | 31 | 39.5 Ų | 39.5 | 16% | 0.162 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -65 | -47.5 | 170.6 | -79.7 | 168 | 0 | 0 | 0 | 112.6 | L69 M281 V285 V330 I331 Y332 L336 D337 R338 | L69-L334 HydrophobicContact CD1-CB 3.74Å; L69-L334 HydrophobicContact CD1-CD1 4.29Å; M281-L334 HydrophobicContact CB-CD1 4.28Å; M281-L334 HydrophobicContact CE-CD1 3.34Å; M281-L334 HydrophobicContact SD-CD1 4.41Å; V285-L334 HydrophobicContact CG1-CG 4.34Å; V285-L334 HydrophobicContact CG2-CD1 4.13Å; V285-L334 HydrophobicContact CG2-CD2 3.74Å; V285-L334 HydrophobicContact CG2-CG 3.86Å; V330-L334 HydrophobicContact CG1-CD1 3.98Å; V330-L334 WeakPolarHBondContact O-CB 3.35Å; V330-L334 WeakPolarHBondContact O-CG 3.44Å; V330-L334 PolarHBondContact O-N 2.95Å; I331-L334 PolarHBondContact O-N 3.31Å; Y332-L334 PolarHBondContact O-N 3.33Å; L334-L336 VanDerWaalsContact C-N 3.29Å; L334-L336 PolarHBondContact O-N 3.24Å; L334-D337 PolarHBondContact O-N 2.76Å; L334-R338 WeakPolarHBondContact O-CB 3.47Å; L334-R338 PolarHBondContact O-N 3.3Å |
| 335 | L | 87.2 | Confident | 84 | Confident | 2 Ų | 2 | 38.7 Ų | 38.7 | 1% | 0.01 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -66.3 | -34.5 | 177.8 | -69.9 | 172.4 | 0 | 0 | 0 | 111.7 | K68 L69 I300 T303 M304 I331 Y332 K339 | K68-L335 HydrophobicContact CB-CD2 4.3Å; L69-L335 HydrophobicContact CB-CD2 4.25Å; L69-L335 HydrophobicContact CD1-CD1 4.48Å; L69-L335 HydrophobicContact CD1-CD2 3.67Å; L69-L335 HydrophobicContact CD1-CG 3.62Å; I300-L335 VanDerWaalsContact CD1-C 3.47Å; I300-L335 HydrophobicContact CD1-CB 3.83Å; I300-L335 WeakPolarHBondContact CD1-O 3.35Å; I300-L335 HydrophobicContact CG2-CB 3.83Å; I300-L335 HydrophobicContact CG2-CD1 4.2Å; T303-L335 HydrophobicContact CG2-CD1 3.87Å; T303-L335 HydrophobicContact CG2-CD2 3.99Å; M304-L335 HydrophobicContact CG-CD1 3.69Å; I331-L335 HydrophobicContact CG2-CD1 3.92Å; I331-L335 HydrophobicContact CG2-CG 4.42Å; I331-L335 WeakPolarHBondContact O-CB 3.47Å; I331-L335 VanDerWaalsContact O-CG 3.31Å; I331-L335 WeakPolarHBondContact O-CG 3.32Å; I331-L335 PolarHBondContact O-N 3.47Å; Y332-L335 PolarHBondContact O-N 3.08Å; L335-K339 WeakPolarHBondContact O-CB 3.31Å; L335-K339 PolarHBondContact O-N 2.81Å |
| 336 | L | 88.5 | Confident | 83.7 | Confident | 17 Ų | 17 | 38.2 Ų | 38.2 | 9% | 0.089 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -68 | -46.9 | 174.6 | -178.6 | 61.7 | 0 | 0 | 0 | 111.4 | I300 Y332 F333 L334 R338 K339 L340 L370 | I300-L336 HydrophobicContact CG1-CB 4.49Å; Y332-L336 HydrophobicContact CE1-CD2 3.99Å; Y332-L336 VanDerWaalsContact O-CB 3.23Å; Y332-L336 WeakPolarHBondContact O-CB 3.49Å; Y332-L336 PolarHBondContact O-N 3.33Å; F333-L336 HydrophobicContact CD1-CD2 4.13Å; F333-L336 HydrophobicContact CE1-CD2 4.23Å; L334-L336 VanDerWaalsContact C-N 3.29Å; L334-L336 PolarHBondContact O-N 3.24Å; L336-R338 VanDerWaalsContact C-N 3.34Å; L336-R338 PolarHBondContact O-N 2.84Å; L336-K339 CarbonylContact O-C 3.51Å; L336-K339 WeakPolarHBondContact O-CA 3.31Å; L336-K339 WeakPolarHBondContact O-CB 3.23Å; L336-K339 PolarHBondContact O-N 2.79Å; L336-L340 HydrophobicContact CG-CD1 4.21Å; L336-L340 VanDerWaalsContact O-CG 3.32Å; L336-L340 WeakPolarHBondContact O-CG 3.39Å; L336-L340 PolarHBondContact O-N 3.27Å; L336-L370 HydrophobicContact CD1-CD2 4.26Å |
| 337 | D | 83.9 | Confident | 83.4 | Confident | 50 Ų | 50 | 38.2 Ų | 38.2 | 27% | 0.267 | 20% | 0.198 | S | C | . | . | H | α-helix | trans | -63.1 | -40.9 | 175.1 | -173.6 | 46.7 | 0 | 0 | 0 | 111.1 | F333 L334 K339 L340 R341 | F333-D337 WeakPolarHBondContact O-CB 3.49Å; F333-D337 PolarHBondContact O-N 3.37Å; L334-D337 PolarHBondContact O-N 2.76Å; D337-K339 VanDerWaalsContact C-N 3.29Å; D337-K339 PolarHBondContact O-N 3.38Å; D337-L340 PolarHBondContact O-N 2.91Å; D337-L340 VanDerWaalsContact O-N 3.1Å; D337-R341 WeakPolarHBondContact O-CB 3.41Å; D337-R341 VanDerWaalsContact O-CG 3.27Å; D337-R341 WeakPolarHBondContact O-CG 3.32Å; D337-R341 PolarHBondContact O-N 3.29Å; D337-R341 WeakPolarHBondContact OD2-CD 3.4Å; D337-R341 IonicContact OD2-CZ 3.66Å; D337-R341 VanDerWaalsContact OD2-CZ 3.23Å; D337-R341 IonicContact OD2-NE 2.78Å; D337-R341 PolarHBondContact OD2-NE 2.99Å; D337-R341 IonicContact OD2-NH1 2.84Å; D337-R341 PolarHBondContact OD2-NH1 3.37Å |
| 338 | R | 83.4 | Confident | 82.9 | Confident | 33 Ų | 33 | 40.7 Ų | 40.7 | 13% | 0.125 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -55.3 | -42.9 | 169 | 179.7 | -122.2 | 58 | 101.7 | -19.1 | 112.3 | K68 L334 L336 L340 N342 D366 | K68-R338 WeakPolarHBondContact O-CD 3.19Å; K68-R338 WeakPolarHBondContact O-CG 3.33Å; L334-R338 WeakPolarHBondContact O-CB 3.47Å; L334-R338 PolarHBondContact O-N 3.3Å; L336-R338 VanDerWaalsContact C-N 3.34Å; L336-R338 PolarHBondContact O-N 2.84Å; R338-L340 VanDerWaalsContact C-N 3.34Å; R338-N342 PolarHBondContact NH1-O 2.81Å; R338-N342 CarbonylContact O-C 3.56Å; R338-N342 PolarHBondContact O-N 3.01Å; R338-D366 IonicContact CZ-OD1 3.47Å; R338-D366 IonicContact CZ-OD2 3.96Å; R338-D366 IonicContact NH1-OD2 3.04Å; R338-D366 PolarHBondContact NH1-OD2 2.89Å; R338-D366 IonicContact NH2-OD1 3.57Å; R338-D366 PolarHBondContact NH2-OD1 3.4Å; R338-D366 IonicContact NH2-OD2 2.7Å; R338-D366 PolarHBondContact NH2-OD2 2.99Å |
| 339 | K | 84.3 | Confident | 81.8 | Confident | 7 Ų | 7 | 44.5 Ų | 44.5 | 3% | 0.03 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -66.2 | -33.7 | 177 | -167.7 | -179.6 | -177.5 | -172.6 | 0 | 112.4 | D297 D299 I300 L335 L336 D337 P343 D366 S367 | D297-K339 IonicContact OD1-NZ 2.76Å; D297-K339 PolarHBondContact OD1-NZ 2.95Å; D297-K339 IonicContact OD2-NZ 3.45Å; D297-K339 PolarHBondContact OD2-NZ 3.18Å; D299-K339 WeakPolarHBondContact OD2-CE 3.44Å; D299-K339 IonicContact OD2-NZ 2.74Å; D299-K339 PolarHBondContact OD2-NZ 3.26Å; I300-K339 HydrophobicContact CD1-CB 4.13Å; I300-K339 HydrophobicContact CD1-CD 3.86Å; I300-K339 HydrophobicContact CG1-CD 4.34Å; L335-K339 WeakPolarHBondContact O-CB 3.31Å; L335-K339 PolarHBondContact O-N 2.81Å; L336-K339 CarbonylContact O-C 3.51Å; L336-K339 WeakPolarHBondContact O-CA 3.31Å; L336-K339 WeakPolarHBondContact O-CB 3.23Å; L336-K339 PolarHBondContact O-N 2.79Å; D337-K339 VanDerWaalsContact C-N 3.29Å; D337-K339 PolarHBondContact O-N 3.38Å; K339-P343 VanDerWaalsContact O-CA 3.31Å; K339-P343 WeakPolarHBondContact O-CA 3.12Å; K339-P343 WeakPolarHBondContact O-CB 3.46Å; K339-D366 HydrophobicContact CD-CB 4.35Å; K339-D366 HydrophobicContact CG-CB 3.91Å; K339-S367 VanDerWaalsContact CE-O 3.23Å; K339-S367 WeakPolarHBondContact CE-O 3.21Å; K339-S367 PolarHBondContact NZ-O 3.39Å |
| 340 | L | 83.9 | Confident | 80.6 | Confident | 90 Ų | 90 | 51.9 Ų | 51.9 | 47% | 0.471 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -77.8 | -40.5 | 177.8 | -68.7 | 169.8 | 0 | 0 | 0 | 112.6 | L336 D337 R338 L370 | L336-L340 HydrophobicContact CG-CD1 4.21Å; L336-L340 VanDerWaalsContact O-CG 3.32Å; L336-L340 WeakPolarHBondContact O-CG 3.39Å; L336-L340 PolarHBondContact O-N 3.27Å; D337-L340 PolarHBondContact O-N 2.91Å; D337-L340 VanDerWaalsContact O-N 3.1Å; R338-L340 VanDerWaalsContact C-N 3.34Å; L340-L370 HydrophobicContact CD2-CD1 3.68Å |
| 341 | R | 80.8 | Confident | 79.8 | Confident | 146 Ų | 146 | 53.1 Ų | 53.1 | 55% | 0.551 | 28% | 0.276 | S | S | * | . | H | α-helix | trans | -72.9 | -45.7 | 179.6 | -64.7 | -174.9 | -42.9 | -154 | 13.6 | 112 | D337 | D337-R341 WeakPolarHBondContact O-CB 3.41Å; D337-R341 VanDerWaalsContact O-CG 3.27Å; D337-R341 WeakPolarHBondContact O-CG 3.32Å; D337-R341 PolarHBondContact O-N 3.29Å; D337-R341 WeakPolarHBondContact OD2-CD 3.4Å; D337-R341 IonicContact OD2-CZ 3.66Å; D337-R341 VanDerWaalsContact OD2-CZ 3.23Å; D337-R341 IonicContact OD2-NE 2.78Å; D337-R341 PolarHBondContact OD2-NE 2.99Å; D337-R341 IonicContact OD2-NH1 2.84Å; D337-R341 PolarHBondContact OD2-NH1 3.37Å |
| 342 | N | 76.9 | Confident | 78.6 | Confident | 98 Ų | 98 | 57.1 Ų | 57.1 | 52% | 0.524 | 29% | 0.291 | S | S | . | . | S | Bend | trans | -131.4 | 72.2 | -177.3 | -72.1 | -41 | 0 | 0 | 0 | 110.8 | R338 S344 | R338-N342 PolarHBondContact NH1-O 2.81Å; R338-N342 CarbonylContact O-C 3.56Å; R338-N342 PolarHBondContact O-N 3.01Å; N342-S344 PolarHBondContact O-N 2.81Å |
| 343 | P | 78.7 | Confident | 77.1 | Confident | 57 Ų | 57 | 61.3 Ų | 61.3 | 37% | 0.37 | 32% | 0.322 | S | S | . | . | trans | -68 | 123.4 | 175.5 | 26.3 | -33 | 0 | 0 | 0 | 110.7 | K339 S345 L368 | K339-P343 VanDerWaalsContact O-CA 3.31Å; K339-P343 WeakPolarHBondContact O-CA 3.12Å; K339-P343 WeakPolarHBondContact O-CB 3.46Å; P343-S345 VanDerWaalsContact C-N 3.31Å; P343-S345 PolarHBondContact O-N 2.93Å; P343-L368 HydrophobicContact CB-CD2 4.26Å | ||
| 344 | S | 79.8 | Confident | 75.9 | Confident | 12 Ų | 12 | 66.1 Ų | 66.1 | 8% | 0.084 | 34% | 0.339 | C | S | . | . | trans | -70.9 | 87.4 | 170.1 | -72 | 0 | 0 | 0 | 0 | 109.6 | D80 N342 R364 I365 D366 | D80-S344 PolarHBondContact OD1-OG 3.48Å; N342-S344 PolarHBondContact O-N 2.81Å; S344-R364 WeakPolarHBondContact CB-O 3.39Å; S344-I365 CarbonylContact O-C 3.57Å; S344-I365 VanDerWaalsContact O-CA 3.28Å; S344-I365 WeakPolarHBondContact O-CA 3.41Å; S344-D366 PolarHBondContact N-OD2 2.86Å; S344-D366 PolarHBondContact O-N 2.86Å | ||
| 345 | S | 74 | Confident | 74.7 | Confident | 73 Ų | 73 | 66.2 Ų | 66.2 | 51% | 0.51 | 34% | 0.342 | S | S | . | . | P | Polyproline II helix | trans | -71.3 | 164.5 | 172 | 71.5 | 0 | 0 | 0 | 0 | 112.1 | P343 K363 | P343-S345 VanDerWaalsContact C-N 3.31Å; P343-S345 PolarHBondContact O-N 2.93Å; S345-K363 VanDerWaalsContact O-CD 3.26Å; S345-K363 WeakPolarHBondContact O-CD 3.47Å; S345-K363 WeakPolarHBondContact O-CE 3.42Å; S345-K363 PolarHBondContact O-NZ 3.07Å |
| 346 | D | 77 | Confident | 73.2 | Confident | 64 Ų | 64 | 71.5 Ų | 71.5 | 34% | 0.342 | 38% | 0.379 | S | S | . | . | P | Polyproline II helix | trans | -64.7 | 157.6 | 170.9 | -154.1 | -1.5 | 0 | 0 | 0 | 112.4 | R352 I365 | D346-R352 VanDerWaalsContact CG-CZ 3.49Å; D346-R352 IonicContact OD1-CZ 2.71Å; D346-R352 IonicContact OD1-NE 3.29Å; D346-R352 IonicContact OD1-NH1 2.95Å; D346-R352 IonicContact OD1-NH2 3.8Å; D346-R352 PolarHBondContact OD1-NH2 3.48Å; D346-R352 IonicContact OD2-CZ 3.23Å; D346-R352 IonicContact OD2-NH1 3.7Å; D346-R352 PolarHBondContact OD2-NH1 2.98Å; D346-R352 IonicContact OD2-NH2 2.63Å; D346-R352 PolarHBondContact OD2-NH2 2.71Å; D346-I365 HydrophobicContact CB-CD1 3.71Å; D346-I365 HydrophobicContact CB-CG1 4.25Å |
| 347 | D | 78 | Confident | 72.2 | Confident | 21 Ų | 21 | 73.9 Ų | 73.9 | 11% | 0.112 | 40% | 0.395 | C | S | . | . | P | Polyproline II helix | trans | -83.2 | 140.5 | 173.4 | -78.1 | -26.9 | 0 | 0 | 0 | 110.6 | P15 Y82 | P15-D347 WeakPolarHBondContact CD-OD2 3.4Å; Y82-D347 WeakPolarHBondContact CE1-OD2 3.37Å; Y82-D347 PolarHBondContact OH-OD1 3.06Å; Y82-D347 PolarHBondContact OH-OD2 2.75Å |
| 348 | P | 72.9 | Confident | 71.5 | Confident | 80 Ų | 80 | 78 Ų | 78 | 52% | 0.519 | 43% | 0.425 | S | S | . | . | P | Polyproline II helix | trans | -65 | 145.1 | 176.8 | 27.3 | -34.2 | 0 | 0 | 0 | 112 | E350 I351 | P348-E350 PolarHBondContact O-N 2.91Å; P348-E350 VanDerWaalsContact O-N 3.09Å; P348-I351 HydrophobicContact CG-CD1 3.76Å; P348-I351 HydrophobicContact CG-CG1 4.1Å; P348-I351 WeakPolarHBondContact O-CB 3.48Å; P348-I351 PolarHBondContact O-N 2.82Å |
| 349 | D | 65.6 | Low | 71.4 | Confident | 111 Ų | 111 | 78.7 Ų | 78.7 | 59% | 0.594 | 43% | 0.43 | S | S | * | . | H | α-helix | trans | -65.7 | -21.3 | -165.4 | -57.3 | -59.3 | 0 | 0 | 0 | 114.8 | I351 R352 S353 | D349-I351 PolarHBondContact O-N 3.5Å; D349-I351 VanDerWaalsContact O-N 3.14Å; D349-R352 PolarHBondContact O-N 3.49Å; D349-R352 WeakPolarHBondContact OD1-CD 3.21Å; D349-R352 IonicContact OD1-CZ 3.93Å; D349-R352 IonicContact OD1-NE 2.82Å; D349-R352 IonicContact OD1-NH1 2.93Å; D349-R352 PolarHBondContact OD1-NH1 2.81Å; D349-S353 PolarHBondContact O-N 2.81Å; D349-S353 VanDerWaalsContact O-N 3.08Å; D349-S353 PolarHBondContact O-OG 3.33Å |
| 350 | E | 63.9 | Low | 71.2 | Confident | 157 Ų | 157 | 80 Ų | 80 | 73% | 0.734 | 44% | 0.44 | S | S | * | . | H | α-helix | trans | -59.7 | -17.7 | 169.3 | -63.8 | -174.1 | -178.8 | 0 | 0 | 114.4 | P348 S353 R354 | P348-E350 PolarHBondContact O-N 2.91Å; P348-E350 VanDerWaalsContact O-N 3.09Å; E350-S353 PolarHBondContact O-OG 2.86Å; E350-R354 PolarHBondContact O-NE 2.95Å |
| 351 | I | 67 | Low | 71.3 | Confident | 26 Ų | 26 | 76.6 Ų | 76.6 | 13% | 0.133 | 42% | 0.423 | C | S | . | . | H | α-helix | trans | -96.8 | -38 | 178.1 | -56.6 | -173.7 | 0 | 0 | 0 | 109.7 | G14 P15 P348 D349 S353 R354 | G14-I351 VanDerWaalsContact C-CG2 3.46Å; P15-I351 HydrophobicContact CB-CD1 4.04Å; P15-I351 HydrophobicContact CB-CG2 3.96Å; P348-I351 HydrophobicContact CG-CD1 3.76Å; P348-I351 HydrophobicContact CG-CG1 4.1Å; P348-I351 WeakPolarHBondContact O-CB 3.48Å; P348-I351 PolarHBondContact O-N 2.82Å; D349-I351 PolarHBondContact O-N 3.5Å; D349-I351 VanDerWaalsContact O-N 3.14Å; I351-S353 PolarHBondContact O-N 2.89Å; I351-R354 WeakPolarHBondContact O-CB 3.34Å; I351-R354 WeakPolarHBondContact O-CG 3.42Å; I351-R354 PolarHBondContact O-N 2.81Å |
| 352 | R | 61.4 | Low | 71.5 | Confident | 85 Ų | 85 | 76.8 Ų | 76.8 | 32% | 0.321 | 42% | 0.424 | S | S | . | . | H | α-helix | trans | -63.1 | -40.8 | 178.1 | -63.7 | 171.3 | 127.4 | 164.3 | 5.3 | 112.5 | D346 D349 R354 S355 | D346-R352 VanDerWaalsContact CG-CZ 3.49Å; D346-R352 IonicContact OD1-CZ 2.71Å; D346-R352 IonicContact OD1-NE 3.29Å; D346-R352 IonicContact OD1-NH1 2.95Å; D346-R352 IonicContact OD1-NH2 3.8Å; D346-R352 PolarHBondContact OD1-NH2 3.48Å; D346-R352 IonicContact OD2-CZ 3.23Å; D346-R352 IonicContact OD2-NH1 3.7Å; D346-R352 PolarHBondContact OD2-NH1 2.98Å; D346-R352 IonicContact OD2-NH2 2.63Å; D346-R352 PolarHBondContact OD2-NH2 2.71Å; D349-R352 PolarHBondContact O-N 3.49Å; D349-R352 WeakPolarHBondContact OD1-CD 3.21Å; D349-R352 IonicContact OD1-CZ 3.93Å; D349-R352 IonicContact OD1-NE 2.82Å; D349-R352 IonicContact OD1-NH1 2.93Å; D349-R352 PolarHBondContact OD1-NH1 2.81Å; R352-R354 PolarHBondContact O-N 2.7Å; R352-R354 VanDerWaalsContact O-N 3.09Å; R352-S355 PolarHBondContact O-N 3.32Å |
| 353 | S | 57.8 | Low | 72.1 | Confident | 96 Ų | 96 | 73.4 Ų | 73.4 | 67% | 0.671 | 40% | 0.404 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.1 | -10.6 | 179.4 | 59.9 | 0 | 0 | 0 | 0 | 114.8 | D349 E350 I351 S355 | D349-S353 PolarHBondContact O-N 2.81Å; D349-S353 VanDerWaalsContact O-N 3.08Å; D349-S353 PolarHBondContact O-OG 3.33Å; E350-S353 PolarHBondContact O-OG 2.86Å; I351-S353 PolarHBondContact O-N 2.89Å; S353-S355 VanDerWaalsContact C-N 3.31Å; S353-S355 PolarHBondContact O-N 3.17Å |
| 354 | R | 62.7 | Low | 72.4 | Confident | 133 Ų | 133 | 73.3 Ų | 73.3 | 50% | 0.502 | 40% | 0.396 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -78.1 | -11.8 | 179.4 | -58.5 | -179.5 | 179.8 | -133.2 | -3 | 114.2 | E350 I351 R352 | E350-R354 PolarHBondContact O-NE 2.95Å; I351-R354 WeakPolarHBondContact O-CB 3.34Å; I351-R354 WeakPolarHBondContact O-CG 3.42Å; I351-R354 PolarHBondContact O-N 2.81Å; R352-R354 PolarHBondContact O-N 2.7Å; R352-R354 VanDerWaalsContact O-N 3.09Å |
| 355 | S | 60.8 | Low | 72.6 | Confident | 32 Ų | 32 | 76.7 Ų | 76.7 | 22% | 0.224 | 41% | 0.413 | C | S | . | . | trans | -101.8 | 109.7 | 179.4 | -169.7 | 0 | 0 | 0 | 0 | 111.1 | R352 S353 T357 | R352-S355 PolarHBondContact O-N 3.32Å; S353-S355 VanDerWaalsContact C-N 3.31Å; S353-S355 PolarHBondContact O-N 3.17Å; S355-T357 PolarHBondContact O-N 2.78Å; S355-T357 PolarHBondContact OG-OG1 2.91Å | ||
| 356 | S | 56.4 | Low | 72.9 | Confident | 113 Ų | 113 | 73.6 Ų | 73.6 | 79% | 0.79 | 39% | 0.39 | S | S | * | . | trans | -74.2 | 1.7 | 175.1 | 54.4 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 357 | T | 66.8 | Low | 72.7 | Confident | 67 Ų | 67 | 72.4 Ų | 72.4 | 41% | 0.411 | 39% | 0.387 | S | S | . | . | S | Bend | trans | -80.3 | 139.8 | -177.1 | 63 | 0 | 0 | 0 | 0 | 112 | S355 D359 P360 | S355-T357 PolarHBondContact O-N 2.78Å; S355-T357 PolarHBondContact OG-OG1 2.91Å; T357-D359 PolarHBondContact O-N 2.92Å; T357-D359 VanDerWaalsContact O-N 3.14Å; T357-P360 WeakPolarHBondContact O-CD 3.41Å; T357-P360 WeakPolarHBondContact OG1-CA 3.13Å |
| 358 | P | 70.2 | Confident | 72 | Confident | 138 Ų | 138 | 77.9 Ų | 77.9 | 90% | 0.896 | 42% | 0.416 | S | S | * | . | S | Bend | trans | -62.4 | -18.5 | 179.4 | -26.7 | 35.5 | 0 | 0 | 0 | 116.2 | ||
| 359 | D | 80.5 | Confident | 71 | Confident | 46 Ų | 46 | 81.1 Ų | 81.1 | 25% | 0.246 | 42% | 0.422 | C | S | . | . | S | Bend | trans | -135 | 71.6 | -179.2 | -169.7 | 47.1 | 0 | 0 | 0 | 109 | N84 R85 T357 | N84-D359 WeakPolarHBondContact CB-OD2 3.27Å; N84-D359 PolarHBondContact ND2-O 2.85Å; R85-D359 VanDerWaalsContact CB-OD2 3.24Å; R85-D359 WeakPolarHBondContact CB-OD2 3.37Å; R85-D359 WeakPolarHBondContact CD-OD2 3.34Å; R85-D359 WeakPolarHBondContact CG-OD2 3.41Å; R85-D359 PolarHBondContact N-OD2 2.82Å; R85-D359 IonicContact NE-OD1 3.54Å; T357-D359 PolarHBondContact O-N 2.92Å; T357-D359 VanDerWaalsContact O-N 3.14Å |
| 360 | P | 80.8 | Confident | 70.3 | Confident | 36 Ų | 36 | 80.9 Ų | 80.9 | 23% | 0.234 | 42% | 0.42 | C | S | . | . | P | Polyproline II helix | trans | -70.3 | 145 | -173.4 | 30.5 | -35.1 | 0 | 0 | 0 | 110.6 | T357 R362 | T357-P360 WeakPolarHBondContact O-CD 3.41Å; T357-P360 WeakPolarHBondContact OG1-CA 3.13Å; P360-R362 PolarHBondContact O-N 2.96Å; P360-R362 VanDerWaalsContact O-N 3.13Å |
| 361 | P | 85.5 | Confident | 69.1 | Low | 17 Ų | 17 | 77.5 Ų | 77.5 | 11% | 0.11 | 41% | 0.41 | C | S | . | . | P | Polyproline II helix | trans | -58 | 117.8 | 176.3 | -24.4 | 35 | 0 | 0 | 0 | 111.5 | V13 E83 Y89 | V13-P361 HydrophobicContact CG1-CB 4.12Å; V13-P361 HydrophobicContact CG2-CG 4.32Å; E83-P361 WeakPolarHBondContact O-CA 3.49Å; Y89-P361 HydrophobicContact CD2-CB 4.02Å; Y89-P361 HydrophobicContact CD2-CG 4.25Å; Y89-P361 HydrophobicContact CE1-CG 4.39Å; Y89-P361 HydrophobicContact CE2-CB 3.84Å; Y89-P361 HydrophobicContact CE2-CG 3.63Å |
| 362 | R | 85 | Confident | 68 | Low | 150 Ų | 150 | 79.4 Ų | 79.4 | 57% | 0.566 | 42% | 0.42 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -96.6 | 140.3 | 176.8 | -66.4 | 179.2 | 179.6 | -95.1 | -1.2 | 109.6 | Y82 E83 P360 | Y82-R362 CarbonylContact C-O 3.56Å; Y82-R362 WeakPolarHBondContact CA-O 3.45Å; E83-R362 PolarHBondContact N-O 3.33Å; E83-R362 PolarHBondContact O-N 2.98Å; P360-R362 PolarHBondContact O-N 2.96Å; P360-R362 VanDerWaalsContact O-N 3.13Å |
| 363 | K | 88.8 | Confident | 66.8 | Low | 28 Ų | 28 | 82.8 Ų | 82.8 | 12% | 0.122 | 45% | 0.445 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.1 | 139.8 | 172.7 | -177.1 | 158.2 | 166.2 | 163.1 | 0 | 110 | D80 Y82 S345 I365 | D80-K363 VanDerWaalsContact CG-CE 3.44Å; D80-K363 WeakPolarHBondContact OD1-CE 3.43Å; D80-K363 IonicContact OD1-NZ 3.58Å; D80-K363 PolarHBondContact OD1-NZ 2.91Å; D80-K363 VanDerWaalsContact OD1-NZ 3.08Å; D80-K363 WeakPolarHBondContact OD2-CE 3.34Å; D80-K363 IonicContact OD2-NZ 3.57Å; D80-K363 PolarHBondContact OD2-NZ 3.19Å; Y82-K363 HydrophobicContact CD1-CB 3.95Å; Y82-K363 HydrophobicContact CE1-CB 3.62Å; Y82-K363 HydrophobicContact CE1-CD 4.48Å; Y82-K363 HydrophobicContact CE1-CG 4.4Å; Y82-K363 HydrophobicContact CE2-CB 4.47Å; Y82-K363 HydrophobicContact CE2-CD 4.36Å; Y82-K363 HydrophobicContact CE2-CG 4.44Å; Y82-K363 HydrophobicContact CG-CB 4.48Å; S345-K363 VanDerWaalsContact O-CD 3.26Å; S345-K363 WeakPolarHBondContact O-CD 3.47Å; S345-K363 WeakPolarHBondContact O-CE 3.42Å; S345-K363 PolarHBondContact O-NZ 3.07Å; K363-I365 PolarHBondContact O-N 2.83Å |
| 364 | R | 86.6 | Confident | 65.8 | Low | 54 Ų | 54 | 82.5 Ų | 82.5 | 20% | 0.204 | 46% | 0.457 | C | S | . | . | trans | -72.9 | 115.8 | 165.6 | -74.2 | -171.3 | 176.7 | 171.3 | 1.9 | 108.4 | E61 V81 E83 S344 | E61-R364 IonicContact OE1-CZ 3.61Å; E61-R364 IonicContact OE1-NH1 3.54Å; E61-R364 PolarHBondContact OE1-NH1 2.84Å; E61-R364 IonicContact OE1-NH2 3.33Å; E61-R364 PolarHBondContact OE1-NH2 2.61Å; E61-R364 IonicContact OE2-CZ 3.27Å; E61-R364 IonicContact OE2-NH1 3.16Å; E61-R364 PolarHBondContact OE2-NH1 2.98Å; E61-R364 IonicContact OE2-NH2 3.96Å; V81-R364 HydrophobicContact CG1-CG 4.37Å; V81-R364 PolarHBondContact O-N 3.01Å; E83-R364 HydrophobicContact CG-CG 4.33Å; E83-R364 WeakPolarHBondContact OE1-CG 3.39Å; E83-R364 IonicContact OE1-NE 3.43Å; E83-R364 PolarHBondContact OE1-NE 3.26Å; E83-R364 IonicContact OE2-CZ 2.68Å; E83-R364 VanDerWaalsContact OE2-CZ 3.24Å; E83-R364 IonicContact OE2-NE 3.43Å; E83-R364 PolarHBondContact OE2-NE 3.43Å; E83-R364 IonicContact OE2-NH2 2.95Å; E83-R364 PolarHBondContact OE2-NH2 2.91Å; S344-R364 WeakPolarHBondContact CB-O 3.39Å | ||
| 365 | I | 83.9 | Confident | 64.4 | Low | 83 Ų | 83 | 79.6 Ų | 79.6 | 43% | 0.426 | 46% | 0.457 | S | S | . | . | P | Polyproline II helix | trans | -94.3 | 135.6 | -174 | -62 | 163 | 0 | 0 | 0 | 109.6 | S344 D346 K363 | S344-I365 CarbonylContact O-C 3.57Å; S344-I365 VanDerWaalsContact O-CA 3.28Å; S344-I365 WeakPolarHBondContact O-CA 3.41Å; D346-I365 HydrophobicContact CB-CD1 3.71Å; D346-I365 HydrophobicContact CB-CG1 4.25Å; K363-I365 PolarHBondContact O-N 2.83Å |
| 366 | D | 79.8 | Confident | 63.3 | Low | 8 Ų | 8 | 84.7 Ų | 84.7 | 4% | 0.043 | 49% | 0.493 | C | S | . | . | P | Polyproline II helix | trans | -81.1 | 119.6 | 170.1 | -76.5 | -36.3 | 0 | 0 | 0 | 109.1 | K68 R338 K339 S344 L368 | K68-D366 IonicContact NZ-OD1 2.86Å; K68-D366 PolarHBondContact NZ-OD1 2.89Å; R338-D366 IonicContact CZ-OD1 3.47Å; R338-D366 IonicContact CZ-OD2 3.96Å; R338-D366 IonicContact NH1-OD2 3.04Å; R338-D366 PolarHBondContact NH1-OD2 2.89Å; R338-D366 IonicContact NH2-OD1 3.57Å; R338-D366 PolarHBondContact NH2-OD1 3.4Å; R338-D366 IonicContact NH2-OD2 2.7Å; R338-D366 PolarHBondContact NH2-OD2 2.99Å; K339-D366 HydrophobicContact CD-CB 4.35Å; K339-D366 HydrophobicContact CG-CB 3.91Å; S344-D366 PolarHBondContact N-OD2 2.86Å; S344-D366 PolarHBondContact O-N 2.86Å; D366-L368 PolarHBondContact O-N 2.92Å |
| 367 | S | 73.4 | Confident | 62.1 | Low | 40 Ų | 40 | 88.8 Ų | 88.8 | 28% | 0.28 | 49% | 0.491 | S | S | . | . | P | Polyproline II helix | trans | -74.6 | 122.1 | -175.9 | 75.3 | 0 | 0 | 0 | 0 | 112.1 | D299 K339 K369 | D299-S367 WeakPolarHBondContact OD2-CA 3.43Å; D299-S367 WeakPolarHBondContact OD2-CB 3.49Å; D299-S367 PolarHBondContact OD2-N 2.83Å; D299-S367 PolarHBondContact OD2-OG 2.83Å; K339-S367 VanDerWaalsContact CE-O 3.23Å; K339-S367 WeakPolarHBondContact CE-O 3.21Å; K339-S367 PolarHBondContact NZ-O 3.39Å; S367-K369 PolarHBondContact O-N 2.97Å |
| 368 | L | 61.5 | Low | 60.7 | Low | 135 Ų | 135 | 90.1 Ų | 90.1 | 71% | 0.707 | 50% | 0.495 | S | S | * | . | trans | -86 | 46.8 | -175.7 | -63.4 | 176.4 | 0 | 0 | 0 | 112.7 | P343 D366 L370 | P343-L368 HydrophobicContact CB-CD2 4.26Å; D366-L368 PolarHBondContact O-N 2.92Å; L368-L370 PolarHBondContact O-N 2.98Å | ||
| 369 | K | 52 | Low | 58.8 | Low | 148 Ų | 148 | 87.9 Ų | 87.9 | 64% | 0.643 | 48% | 0.483 | S | S | * | . | trans | -97.5 | 59.7 | -179.5 | -160.7 | -177.2 | 176.4 | -172.8 | 0 | 112.4 | S367 T371 | S367-K369 PolarHBondContact O-N 2.97Å; K369-T371 VanDerWaalsContact C-N 3.25Å; K369-T371 HydrophobicContact CG-CG2 3.9Å; K369-T371 PolarHBondContact O-N 3.23Å | ||
| 370 | L | 50.7 | Low | 57 | Low | 106 Ų | 106 | 89.3 Ų | 89.3 | 56% | 0.555 | 49% | 0.49 | S | S | * | . | trans | -76.8 | 69.6 | 175.7 | -64.6 | 169.5 | 0 | 0 | 0 | 111.3 | L336 L340 L368 L372 | L336-L370 HydrophobicContact CD1-CD2 4.26Å; L340-L370 HydrophobicContact CD2-CD1 3.68Å; L368-L370 PolarHBondContact O-N 2.98Å; L370-L372 VanDerWaalsContact C-N 3.29Å; L370-L372 PolarHBondContact O-N 3.09Å; L370-L372 VanDerWaalsContact O-N 3.15Å | ||
| 371 | T | 39.9 | Very low | 54.7 | Low | 87 Ų | 87 | 89.9 Ų | 89.9 | 53% | 0.534 | 50% | 0.502 | S | S | . | . | trans | -87.4 | 50 | -176.5 | 45.5 | 0 | 0 | 0 | 0 | 114.1 | K369 N373 | K369-T371 VanDerWaalsContact C-N 3.25Å; K369-T371 HydrophobicContact CG-CG2 3.9Å; K369-T371 PolarHBondContact O-N 3.23Å; T371-N373 PolarHBondContact O-N 3.37Å | ||
| 372 | L | 44.1 | Very low | 52.3 | Low | 65 Ų | 65 | 96.5 Ų | 96.5 | 34% | 0.34 | 54% | 0.536 | S | S | . | . | S | Bend | trans | -83.6 | 90.3 | 170.6 | -136 | 84.6 | 0 | 0 | 0 | 110.1 | D295 L370 G374 S375 L378 | D295-L372 HydrophobicContact CB-CD1 3.77Å; D295-L372 VanDerWaalsContact OD1-CD1 3.25Å; D295-L372 WeakPolarHBondContact OD1-CD1 3.49Å; L370-L372 VanDerWaalsContact C-N 3.29Å; L370-L372 PolarHBondContact O-N 3.09Å; L370-L372 VanDerWaalsContact O-N 3.15Å; L372-G374 PolarHBondContact O-N 2.94Å; L372-S375 PolarHBondContact O-N 3.08Å; L372-L378 HydrophobicContact CD2-CD1 4.13Å; L372-L378 HydrophobicContact CD2-CD2 3.86Å; L372-L378 HydrophobicContact CD2-CG 3.8Å |
| 373 | N | 36.4 | Very low | 50 | Low | 157 Ų | 157 | 93.7 Ų | 93.7 | 84% | 0.84 | 53% | 0.532 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 43.4 | 37 | 173.5 | -74.1 | -8.3 | 0 | 0 | 0 | 116.9 | T371 S375 | T371-N373 PolarHBondContact O-N 3.37Å; N373-S375 PolarHBondContact O-N 2.96Å; N373-S375 VanDerWaalsContact O-N 3.07Å |
| 374 | G | 36.2 | Very low | 47.5 | Very low | 89 Ų | 89 | 96.8 Ų | 96.8 | 92% | 0.918 | 56% | 0.557 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 64.4 | 13 | 173.4 | 0 | 0 | 0 | 0 | 0 | 115.6 | L372 | L372-G374 PolarHBondContact O-N 2.94Š|
| 375 | S | 34.1 | Very low | 45 | Very low | 73 Ų | 73 | 103 Ų | 103 | 51% | 0.51 | 59% | 0.589 | S | S | . | * | trans | -125.7 | 120.3 | -177.2 | -149.4 | 0 | 0 | 0 | 0 | 110.4 | L372 N373 R377 | L372-S375 PolarHBondContact O-N 3.08Å; N373-S375 PolarHBondContact O-N 2.96Å; N373-S375 VanDerWaalsContact O-N 3.07Å; S375-R377 PolarHBondContact O-N 2.78Å | ||
| 376 | S | 36.1 | Very low | 42.6 | Very low | 139 Ų | 139 | 102.2 Ų | 102.2 | 97% | 0.972 | 60% | 0.601 | S | S | * | * | trans | -71.6 | 43.5 | 175.4 | -49.4 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 377 | R | 31.7 | Very low | 40.3 | Very low | 199 Ų | 199 | 106 Ų | 106 | 75% | 0.751 | 63% | 0.628 | S | S | * | * | trans | -134.1 | 34.3 | -159 | -148.1 | -175.1 | 177.9 | -148.3 | -5 | 114.1 | S375 S379 | S375-R377 PolarHBondContact O-N 2.78Å; R377-S379 PolarHBondContact O-N 2.91Å | ||
| 378 | L | 36.8 | Very low | 38.3 | Very low | 95 Ų | 95 | 108 Ų | 108 | 50% | 0.497 | 64% | 0.641 | S | S | . | * | trans | -60.7 | 95.7 | 138.1 | -74.4 | -177 | 0 | 0 | 0 | 106.6 | L372 L380 | L372-L378 HydrophobicContact CD2-CD1 4.13Å; L372-L378 HydrophobicContact CD2-CD2 3.86Å; L372-L378 HydrophobicContact CD2-CG 3.8Å; L378-L380 HydrophobicContact CB-CD1 4.07Å; L378-L380 PolarHBondContact O-N 3.46Å | ||
| 379 | S | 31.2 | Very low | 37.2 | Very low | 91 Ų | 91 | 106.4 Ų | 106.4 | 64% | 0.636 | 63% | 0.632 | S | S | * | * | trans | -76.6 | 80.4 | 179.8 | -157.6 | 0 | 0 | 0 | 0 | 108.5 | R377 G381 | R377-S379 PolarHBondContact O-N 2.91Å; S379-G381 PolarHBondContact O-N 3.48Å | ||
| 380 | L | 42.2 | Very low | 36.8 | Very low | 76 Ų | 76 | 105.4 Ų | 105.4 | 40% | 0.398 | 64% | 0.644 | S | S | . | * | G | 310 helix | trans | -63.9 | 7.7 | 177.7 | -112.7 | 72.6 | 0 | 0 | 0 | 114.1 | L378 N382 L383 S384 | L378-L380 HydrophobicContact CB-CD1 4.07Å; L378-L380 PolarHBondContact O-N 3.46Å; L380-N382 PolarHBondContact O-N 3.14Å; L380-N382 VanDerWaalsContact O-N 3.08Å; L380-L383 HydrophobicContact CG-CB 4.41Å; L380-L383 HydrophobicContact CG-CD1 4.47Å; L380-L383 PolarHBondContact O-N 2.99Å; L380-S384 PolarHBondContact O-N 3.29Å; L380-S384 VanDerWaalsContact O-N 3.08Å; L380-S384 PolarHBondContact O-OG 3.08Å |
| 381 | G | 32.3 | Very low | 36 | Very low | 47 Ų | 47 | 104.1 Ų | 104.1 | 49% | 0.485 | 66% | 0.656 | S | S | . | * | G | 310 helix | trans | -63.9 | -11.2 | -178.4 | 0 | 0 | 0 | 0 | 0 | 114.9 | S379 | S379-G381 PolarHBondContact O-N 3.48Š|
| 382 | N | 35 | Very low | 35.6 | Very low | 157 Ų | 157 | 111.8 Ų | 111.8 | 84% | 0.84 | 68% | 0.675 | S | S | * | * | G | 310 helix | trans | -95.9 | -3.4 | 171.2 | -71.4 | 54.1 | 0 | 0 | 0 | 113.2 | L380 | L380-N382 PolarHBondContact O-N 3.14Å; L380-N382 VanDerWaalsContact O-N 3.08Å |
| 383 | L | 36.7 | Very low | 35.1 | Very low | 91 Ų | 91 | 120.8 Ų | 120.8 | 48% | 0.476 | 70% | 0.704 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -123.5 | -9.9 | -175.2 | -58.5 | -177.9 | 0 | 0 | 0 | 113.7 | Q286 L380 | Q286-L383 HydrophobicContact CB-CD1 3.82Å; Q286-L383 HydrophobicContact CB-CD2 3.26Å; Q286-L383 HydrophobicContact CB-CG 4.18Å; Q286-L383 HydrophobicContact CG-CD1 4.19Å; Q286-L383 HydrophobicContact CG-CD2 3.75Å; L380-L383 HydrophobicContact CG-CB 4.41Å; L380-L383 HydrophobicContact CG-CD1 4.47Å; L380-L383 PolarHBondContact O-N 2.99Å |
| 384 | S | 36.6 | Very low | 35 | Very low | 93 Ų | 93 | 116.4 Ų | 116.4 | 65% | 0.65 | 70% | 0.697 | S | S | * | * | S | Bend | trans | -94.8 | 17.5 | -172.4 | 64.1 | 0 | 0 | 0 | 0 | 115.2 | L380 | L380-S384 PolarHBondContact O-N 3.29Å; L380-S384 VanDerWaalsContact O-N 3.08Å; L380-S384 PolarHBondContact O-OG 3.08Å |
| 385 | E | 35.2 | Very low | 34.9 | Very low | 184 Ų | 184 | 120.9 Ų | 120.9 | 86% | 0.86 | 70% | 0.698 | S | S | * | * | S | Bend | trans | -115.7 | 0.2 | -171 | -151.2 | 159.2 | -136.9 | 0 | 0 | 114.2 | ||
| 386 | G | 32.5 | Very low | 34.7 | Very low | 67 Ų | 67 | 121.7 Ų | 121.7 | 69% | 0.691 | 71% | 0.71 | S | S | * | * | S | Bend | trans | -93.4 | 1.6 | -173.3 | 0 | 0 | 0 | 0 | 0 | 117.9 | ||
| 387 | S | 32.8 | Very low | 34.7 | Very low | 88 Ų | 88 | 121.6 Ų | 121.6 | 62% | 0.615 | 70% | 0.703 | S | S | * | * | trans | -154.5 | 98.1 | -175.8 | -76.2 | 0 | 0 | 0 | 0 | 113.7 | L389 | S387-L389 PolarHBondContact O-N 3.44Š| ||
| 388 | P | 30.3 | Very low | 35 | Very low | 82 Ų | 82 | 121.5 Ų | 121.5 | 53% | 0.532 | 71% | 0.711 | S | S | . | * | trans | -95.6 | 90.5 | -169.7 | 34.7 | -35.5 | 0 | 0 | 0 | 115 | F540 | P388-F540 HydrophobicContact CG-CB 4.35Š| ||
| 389 | L | 38.8 | Very low | 34.8 | Very low | 100 Ų | 100 | 127 Ų | 127 | 52% | 0.524 | 73% | 0.731 | S | S | . | * | trans | -140.1 | 74.5 | 162.8 | -77.7 | -171.6 | 0 | 0 | 0 | 115 | S387 F540 S542 | S387-L389 PolarHBondContact O-N 3.44Å; L389-F540 HydrophobicContact CD1-CB 4.28Å; L389-F540 HydrophobicContact CD1-CD1 3.37Å; L389-F540 HydrophobicContact CD1-CE1 3.98Å; L389-F540 HydrophobicContact CD1-CG 4.13Å; L389-F540 HydrophobicContact CD2-CB 4.12Å; L389-F540 HydrophobicContact CG-CB 3.73Å; L389-F540 HydrophobicContact CG-CD1 3.66Å; L389-F540 HydrophobicContact CG-CE1 4.5Å; L389-F540 HydrophobicContact CG-CG 3.89Å; L389-S542 WeakPolarHBondContact CD2-OG 3.4Å | ||
| 390 | S | 43.7 | Very low | 34.8 | Very low | 128 Ų | 128 | 130.3 Ų | 130.3 | 90% | 0.895 | 74% | 0.74 | S | S | * | * | -178.8 | 123.3 | 130 | -86.4 | 0 | 0 | 0 | 0 | 112.1 | |||||
| 391 | G | 33.7 | Very low | 34.4 | Very low | 78 Ų | 78 | 138.8 Ų | 138.8 | 80% | 0.804 | 77% | 0.767 | S | S | * | * | trans | -77.7 | 128.5 | -176.5 | 0 | 0 | 0 | 0 | 0 | 114.4 | R393 | G391-R393 PolarHBondContact O-N 2.63Š| ||
| 392 | R | 32.1 | Very low | 34.4 | Very low | 249 Ų | 249 | 146.3 Ų | 146.3 | 94% | 0.94 | 79% | 0.787 | S | S | * | * | S | Bend | trans | 26.1 | 89.3 | 153.6 | -68.7 | -174.7 | 172.8 | -167.4 | -1.8 | 117.7 | ||
| 393 | R | 33.7 | Very low | 34.3 | Very low | 253 Ų | 253 | 148.3 Ų | 148.3 | 96% | 0.955 | 79% | 0.788 | S | S | * | * | trans | -151.1 | 42.3 | 139.7 | -123.4 | 175.2 | -168.4 | -169.3 | 2.7 | 114.9 | G391 | G391-R393 PolarHBondContact O-N 2.63Š| ||
| 394 | G | 33.5 | Very low | 34.1 | Very low | 66 Ų | 66 | 148.5 Ų | 148.5 | 68% | 0.68 | 80% | 0.797 | S | S | * | * | trans | -69.8 | 150.3 | 172.4 | 0 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 395 | L | 33.4 | Very low | 34 | Very low | 182 Ų | 182 | 153.3 Ų | 153.3 | 95% | 0.953 | 81% | 0.806 | S | S | * | * | trans | 62.3 | 69.7 | 152.1 | -53 | 177.6 | 0 | 0 | 0 | 118.1 | ||||
| 396 | A | 31 | Very low | 34 | Very low | 91 Ų | 91 | 149.4 Ų | 149.4 | 75% | 0.752 | 80% | 0.799 | S | S | * | * | S | Bend | trans | -136.6 | 0.1 | 166.6 | 0 | 0 | 0 | 0 | 0 | 116.5 | ||
| 397 | V | 35.4 | Very low | 34.3 | Very low | 137 Ų | 137 | 152.2 Ų | 152.2 | 83% | 0.83 | 81% | 0.808 | S | S | * | * | S | Bend | trans | -135.4 | 50 | -175.9 | -158.2 | 0 | 0 | 0 | 0 | 113.8 | ||
| 398 | Q | 38.8 | Very low | 34.3 | Very low | 197 Ų | 197 | 151.2 Ų | 151.2 | 92% | 0.921 | 81% | 0.812 | S | S | * | * | S | Bend | trans | -138.2 | 7.9 | 164 | -108.3 | -178.6 | 6.2 | 0 | 0 | 114.8 | ||
| 399 | K | 33 | Very low | 34.6 | Very low | 211 Ų | 211 | 154.7 Ų | 154.7 | 92% | 0.917 | 83% | 0.825 | S | S | * | * | S | Bend | trans | -122.4 | 44 | 172.2 | -80.2 | -170.6 | 173.4 | -179.6 | 0 | 112.6 | ||
| 400 | L | 30.5 | Very low | 34.5 | Very low | 159 Ų | 159 | 156.5 Ų | 156.5 | 83% | 0.832 | 84% | 0.835 | S | S | * | * | S | Bend | trans | -154.3 | 42.2 | 178.7 | -117.9 | 172.2 | 0 | 0 | 0 | 115.9 | ||
| 401 | R | 33.7 | Very low | 34.1 | Very low | 254 Ų | 254 | 154.9 Ų | 154.9 | 96% | 0.958 | 82% | 0.824 | S | S | * | * | trans | -151.1 | 58.1 | 166.7 | -137.5 | 169 | -170 | 151.3 | 2.4 | 114.7 | ||||
| 402 | K | 32 | Very low | 34.3 | Very low | 205 Ų | 205 | 160.1 Ų | 160.1 | 89% | 0.891 | 83% | 0.828 | S | S | * | * | trans | -137 | 71.6 | 173.4 | -159.7 | 173.2 | -172.4 | 178 | 0 | 111.3 | ||||
| 403 | K | 32 | Very low | 34.5 | Very low | 200 Ų | 200 | 153 Ų | 153 | 87% | 0.87 | 82% | 0.817 | S | S | * | * | trans | -169.7 | 118.5 | 168.5 | -108.1 | 162.9 | -175.9 | -179 | 0 | 111 | ||||
| 404 | S | 34 | Very low | 34.8 | Very low | 94 Ų | 94 | 146 Ų | 146 | 66% | 0.657 | 81% | 0.806 | S | S | * | * | trans | 61.1 | 146.3 | 161.9 | -39 | 0 | 0 | 0 | 0 | 117.5 | ||||
| 405 | F | 34 | Very low | 35.1 | Very low | 195 Ų | 195 | 149.3 Ų | 149.3 | 86% | 0.855 | 81% | 0.813 | S | S | * | * | cis | -142.4 | 176.1 | 7.1 | -72.3 | -93.6 | 0 | 0 | 0 | 108.9 | ||||
| 406 | S | 34.8 | Very low | 35.2 | Very low | 101 Ų | 101 | 146.6 Ų | 146.6 | 71% | 0.706 | 81% | 0.806 | S | S | * | * | 177 | 116.2 | -59.3 | 54.8 | 0 | 0 | 0 | 0 | 109.5 | |||||
| 407 | S | 38.5 | Very low | 35.4 | Very low | 126 Ų | 126 | 146.9 Ų | 146.9 | 88% | 0.881 | 81% | 0.809 | S | S | * | * | trans | -170.2 | 127.3 | 169.2 | 54.3 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 408 | G | 32.5 | Very low | 35.7 | Very low | 68 Ų | 68 | 147 Ų | 147 | 70% | 0.701 | 81% | 0.81 | S | S | * | * | cis | -173.3 | -169.9 | -8.6 | 0 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 409 | L | 37 | Very low | 35.5 | Very low | 155 Ų | 155 | 142.7 Ų | 142.7 | 81% | 0.812 | 80% | 0.801 | S | S | * | * | trans | 73.4 | 98.4 | 170.6 | -56 | 176.8 | 0 | 0 | 0 | 118.1 | ||||
| 410 | D | 36.5 | Very low | 36 | Very low | 137 Ų | 137 | 138.2 Ų | 138.2 | 73% | 0.733 | 79% | 0.794 | S | S | * | * | 106.3 | 128.8 | 116 | -61.7 | -11.4 | 0 | 0 | 0 | 123.6 | |||||
| 411 | S | 37 | Very low | 36.1 | Very low | 95 Ų | 95 | 138.5 Ų | 138.5 | 66% | 0.664 | 80% | 0.795 | S | S | * | * | trans | 81.7 | 99.7 | 148.9 | -66.5 | 0 | 0 | 0 | 0 | 122.1 | ||||
| 412 | Q | 37.5 | Very low | 36.2 | Very low | 188 Ų | 188 | 129.7 Ų | 129.7 | 88% | 0.879 | 78% | 0.784 | S | S | * | * | trans | 65.9 | 129.8 | 133.2 | -57.6 | -176.3 | 68.6 | 0 | 0 | 118 | ||||
| 413 | S | 36 | Very low | 36.4 | Very low | 100 Ų | 100 | 125.1 Ų | 125.1 | 70% | 0.699 | 78% | 0.777 | S | S | * | * | cis | -167.9 | 163.6 | 14.5 | 52.6 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 414 | S | 40 | Very low | 36.7 | Very low | 106 Ų | 106 | 121.1 Ų | 121.1 | 74% | 0.741 | 77% | 0.772 | S | S | * | * | trans | 59.9 | 132.1 | 151.4 | -54.5 | 0 | 0 | 0 | 0 | 120.5 | ||||
| 415 | T | 39 | Very low | 36.7 | Very low | 134 Ų | 134 | 124.4 Ų | 124.4 | 82% | 0.822 | 78% | 0.781 | S | S | * | * | cis | -161.4 | 158.7 | -14.7 | 0.2 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 416 | P | 36.4 | Very low | 36.8 | Very low | 125 Ų | 125 | 120.7 Ų | 120.7 | 81% | 0.812 | 78% | 0.779 | S | S | * | * | trans | -121.4 | 155.4 | -165.5 | 41.1 | -30.3 | 0 | 0 | 0 | 117.7 | ||||
| 417 | A | 35.3 | Very low | 36.6 | Very low | 97 Ų | 97 | 123.5 Ų | 123.5 | 80% | 0.802 | 79% | 0.786 | S | S | * | * | trans | -171.2 | 153 | 152.6 | 0 | 0 | 0 | 0 | 0 | 108 | ||||
| 418 | V | 40.8 | Very low | 36.5 | Very low | 140 Ų | 140 | 126.7 Ų | 126.7 | 85% | 0.848 | 79% | 0.786 | S | S | * | * | cis | -132.2 | 160.3 | 10.5 | 175.4 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 419 | S | 34.3 | Very low | 36.3 | Very low | 106 Ų | 106 | 133.6 Ų | 133.6 | 74% | 0.741 | 79% | 0.791 | S | S | * | * | trans | -139 | -174.2 | -172.5 | -75.2 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 420 | P | 43.2 | Very low | 35.9 | Very low | 118 Ų | 118 | 132 Ų | 132 | 77% | 0.766 | 79% | 0.788 | S | S | * | * | cis | -134.3 | -133.2 | -45.9 | 38.8 | -18.7 | 0 | 0 | 0 | 110.7 | ||||
| 421 | L | 34.2 | Very low | 35.7 | Very low | 165 Ų | 165 | 133.3 Ų | 133.3 | 86% | 0.864 | 79% | 0.789 | S | S | * | * | trans | 89.4 | 127.2 | 157.9 | -141.3 | 72 | 0 | 0 | 0 | 116.6 | ||||
| 422 | G | 35.9 | Very low | 35.2 | Very low | 69 Ų | 69 | 139 Ų | 139 | 71% | 0.711 | 80% | 0.798 | S | S | * | * | cis | -169.3 | -179.3 | -4.9 | 0 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 423 | S | 35.4 | Very low | 34.8 | Very low | 108 Ų | 108 | 141.8 Ų | 141.8 | 76% | 0.755 | 80% | 0.8 | S | S | * | * | cis | -156.7 | 154.2 | -4.1 | -71.9 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 424 | P | 37.4 | Very low | 34.6 | Very low | 116 Ų | 116 | 141.8 Ų | 141.8 | 75% | 0.753 | 80% | 0.798 | S | S | * | * | trans | -106.4 | -148.3 | -178.9 | 42.4 | -36 | 0 | 0 | 0 | 113.4 | ||||
| 425 | L | 34.5 | Very low | 34.1 | Very low | 163 Ų | 163 | 143.9 Ų | 143.9 | 85% | 0.853 | 81% | 0.806 | S | S | * | * | trans | 92.1 | 148.3 | -179.8 | -50.5 | 175.5 | 0 | 0 | 0 | 114.1 | ||||
| 426 | S | 36.9 | Very low | 33.5 | Very low | 117 Ų | 117 | 140.9 Ų | 140.9 | 82% | 0.818 | 80% | 0.802 | S | S | * | * | cis | -134.4 | 169.9 | 14.3 | -74.1 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 427 | L | 30.8 | Very low | 33 | Very low | 161 Ų | 161 | 140.9 Ų | 140.9 | 84% | 0.843 | 80% | 0.803 | S | S | * | * | trans | -113.5 | 140 | -177.4 | -76.6 | 163.4 | 0 | 0 | 0 | 113.9 | ||||
| 428 | Q | 35.1 | Very low | 32.6 | Very low | 192 Ų | 192 | 144 Ų | 144 | 90% | 0.897 | 80% | 0.801 | S | S | * | * | trans | -157.5 | 112.5 | 149 | -104.9 | 167.8 | -26.7 | 0 | 0 | 106.2 | ||||
| 429 | R | 28.5 | Very low | 31.9 | Very low | 213 Ų | 213 | 143.6 Ų | 143.6 | 80% | 0.804 | 79% | 0.794 | S | S | * | * | cis | 75.5 | 141.3 | 45.9 | -169.1 | -178.5 | -75.4 | 173.1 | -2.2 | 112.5 | ||||
| 430 | V | 30.1 | Very low | 31.6 | Very low | 123 Ų | 123 | 146 Ų | 146 | 75% | 0.745 | 80% | 0.798 | S | S | * | * | trans | 99 | 122.6 | -178.3 | 175.9 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 431 | H | 31 | Very low | 30.9 | Very low | 164 Ų | 164 | 148.1 Ų | 148.1 | 76% | 0.759 | 80% | 0.798 | S | S | * | * | cis | -154.3 | 163.4 | -22.8 | -110.7 | -53.9 | 0 | 0 | 0 | 110.8 | ||||
| 432 | Y | 26.5 | Very low | 30.6 | Very low | 214 Ų | 214 | 146.2 Ų | 146.2 | 84% | 0.839 | 79% | 0.788 | S | S | * | * | trans | -75.4 | 158.8 | 166.3 | -86.2 | -118.7 | 0 | 0 | 0 | 111.7 | ||||
| 433 | R | 28.7 | Very low | 30.5 | Very low | 247 Ų | 247 | 147.3 Ų | 147.3 | 93% | 0.932 | 79% | 0.785 | S | S | * | * | -161.4 | 137 | 125.1 | -116.8 | -177.1 | -170.6 | -153.2 | 2 | 114.2 | |||||
| 434 | P | 33.7 | Very low | 30.4 | Very low | 100 Ų | 100 | 150.1 Ų | 150.1 | 65% | 0.649 | 79% | 0.786 | S | S | * | * | trans | -108.4 | -169.1 | 163.5 | 43.1 | -34.1 | 0 | 0 | 0 | 111.3 | ||||
| 435 | V | 27.8 | Very low | 30.3 | Very low | 149 Ų | 149 | 149 Ų | 149 | 90% | 0.903 | 78% | 0.779 | S | S | * | * | trans | 5.8 | 137.7 | 166.7 | -150.7 | 0 | 0 | 0 | 0 | 119.7 | ||||
| 436 | G | 27.1 | Very low | 30 | Very low | 72 Ų | 72 | 147.8 Ų | 147.8 | 74% | 0.742 | 77% | 0.772 | S | S | * | * | trans | 135.6 | 153.2 | 146.5 | 0 | 0 | 0 | 0 | 0 | 116 | ||||
| 437 | C | 26 | Very low | 29.5 | Very low | 124 Ų | 124 | 149.4 Ų | 149.4 | 84% | 0.838 | 77% | 0.766 | S | S | * | * | trans | -104.7 | 177.7 | 179.7 | -66.3 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 438 | E | 26.3 | Very low | 29.3 | Very low | 164 Ų | 164 | 146.9 Ų | 146.9 | 77% | 0.766 | 76% | 0.757 | S | S | * | * | trans | 91.3 | 141.9 | 155.2 | -56.9 | -163.2 | -167.8 | 0 | 0 | 120.9 | ||||
| 439 | N | 26.6 | Very low | 28.9 | Very low | 130 Ų | 130 | 142.4 Ų | 142.4 | 70% | 0.695 | 75% | 0.747 | S | S | * | * | trans | 60.3 | 110.1 | 161.1 | -55.5 | -38.7 | 0 | 0 | 0 | 117.6 | ||||
| 440 | L | 27.3 | Very low | 28.8 | Very low | 157 Ų | 157 | 138.9 Ų | 138.9 | 82% | 0.822 | 74% | 0.743 | S | S | * | * | 79.7 | 97.5 | 60.3 | -173.1 | 101.8 | 0 | 0 | 0 | 111.7 | |||||
| 441 | E | 28.9 | Very low | 28.8 | Very low | 163 Ų | 163 | 137.9 Ų | 137.9 | 76% | 0.762 | 74% | 0.741 | S | S | * | * | -166.8 | 145.3 | 124.6 | -106.2 | -163.4 | 111.4 | 0 | 0 | 112.1 | |||||
| 442 | N | 28.3 | Very low | 28.9 | Very low | 124 Ų | 124 | 136.2 Ų | 136.2 | 66% | 0.663 | 74% | 0.742 | S | S | * | * | trans | 29.9 | 134.7 | 135.7 | -64.3 | -27.8 | 0 | 0 | 0 | 120.8 | ||||
| 443 | S | 33.2 | Very low | 29.6 | Very low | 92 Ų | 92 | 131.6 Ų | 131.6 | 64% | 0.643 | 74% | 0.739 | S | S | * | * | cis | -170.7 | 143.7 | 3.9 | 50.7 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 444 | H | 32.9 | Very low | 30 | Very low | 167 Ų | 167 | 125.8 Ų | 125.8 | 77% | 0.773 | 73% | 0.733 | S | S | * | * | trans | 78.1 | 152.5 | 135.3 | -71.2 | -22.4 | 0 | 0 | 0 | 120.2 | ||||
| 445 | P | 35.8 | Very low | 29.8 | Very low | 93 Ų | 93 | 126.5 Ų | 126.5 | 60% | 0.604 | 74% | 0.74 | S | S | * | * | -140.3 | -149.9 | -75.7 | 30.9 | -6.1 | 0 | 0 | 0 | 110.8 | |||||
| 446 | I | 28.4 | Very low | 29.9 | Very low | 137 Ų | 137 | 124 Ų | 124 | 70% | 0.703 | 74% | 0.735 | S | S | * | * | trans | 73 | 122.7 | 148.4 | -78.1 | 171.7 | 0 | 0 | 0 | 114.9 | ||||
| 447 | Q | 27.4 | Very low | 30.1 | Very low | 152 Ų | 152 | 130.9 Ų | 130.9 | 71% | 0.71 | 74% | 0.739 | S | S | * | * | cis | -170 | 166.4 | 2.1 | -138.8 | 177.9 | -0.1 | 0 | 0 | 114 | ||||
| 448 | V | 26.3 | Very low | 30.3 | Very low | 107 Ų | 107 | 128.8 Ų | 128.8 | 65% | 0.648 | 73% | 0.725 | S | S | * | * | trans | 37 | 124.5 | 151.8 | -79.6 | 0 | 0 | 0 | 0 | 123 | ||||
| 449 | S | 27.1 | Very low | 30.6 | Very low | 98 Ų | 98 | 128.5 Ų | 128.5 | 69% | 0.685 | 72% | 0.724 | S | S | * | * | 78.7 | 163.5 | 122.7 | -65.7 | 0 | 0 | 0 | 0 | 120.4 | |||||
| 450 | I | 26 | Very low | 30.7 | Very low | 140 Ų | 140 | 128.1 Ų | 128.1 | 72% | 0.718 | 73% | 0.727 | S | S | * | * | cis | -164.5 | 174.4 | -19.9 | -99.5 | 163 | 0 | 0 | 0 | 104.9 | ||||
| 451 | S | 29 | Very low | 30.9 | Very low | 101 Ų | 101 | 126.6 Ų | 126.6 | 71% | 0.706 | 72% | 0.724 | S | S | * | * | trans | 66.6 | 133.6 | 163.5 | 40.1 | 0 | 0 | 0 | 0 | 118 | ||||
| 452 | V | 33 | Very low | 31 | Very low | 130 Ų | 130 | 123.5 Ų | 123.5 | 79% | 0.788 | 72% | 0.72 | S | S | * | * | cis | 61 | 127.6 | 11 | -168.6 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 453 | P | 41.2 | Very low | 31 | Very low | 117 Ų | 117 | 123.8 Ų | 123.8 | 76% | 0.76 | 73% | 0.726 | S | S | * | * | cis | -112.5 | -129.3 | 1.4 | 29.8 | -4.9 | 0 | 0 | 0 | 108.7 | ||||
| 454 | P | 37.4 | Very low | 30.9 | Very low | 124 Ų | 124 | 125 Ų | 125 | 81% | 0.805 | 73% | 0.73 | S | S | * | * | cis | -134.2 | -159.6 | -8.5 | 42 | -19.4 | 0 | 0 | 0 | 116.4 | ||||
| 455 | S | 30.3 | Very low | 30.7 | Very low | 116 Ų | 116 | 122 Ų | 122 | 81% | 0.811 | 73% | 0.728 | S | S | * | * | trans | -111.5 | -178.7 | -163.8 | -41.8 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 456 | A | 30.5 | Very low | 30.4 | Very low | 95 Ų | 95 | 122.4 Ų | 122.4 | 79% | 0.785 | 73% | 0.733 | S | S | * | * | trans | 74.1 | 162.6 | 168.8 | 0 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 457 | R | 29.8 | Very low | 30.4 | Very low | 218 Ų | 218 | 121.1 Ų | 121.1 | 82% | 0.823 | 73% | 0.731 | S | S | * | * | cis | -162.9 | 154.2 | 21.3 | 173.5 | 96.5 | 175.4 | -143.1 | -3.6 | 108.6 | ||||
| 458 | S | 31.2 | Very low | 30.3 | Very low | 80 Ų | 80 | 120.6 Ų | 120.6 | 56% | 0.559 | 73% | 0.733 | S | S | * | * | cis | -173.6 | 174.2 | -31.6 | -75.9 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 459 | Q | 32.8 | Very low | 30.4 | Very low | 157 Ų | 157 | 121.3 Ų | 121.3 | 73% | 0.734 | 74% | 0.738 | S | S | * | * | trans | 74.5 | 117.2 | 160.9 | -74.7 | 158.1 | 1.5 | 0 | 0 | 117.2 | ||||
| 460 | T | 27.6 | Very low | 30.4 | Very low | 123 Ų | 123 | 121.1 Ų | 121.1 | 76% | 0.755 | 74% | 0.737 | S | S | * | * | 56 | 128 | 86.5 | 65.2 | 0 | 0 | 0 | 0 | 113.6 | |||||
| 461 | T | 32.4 | Very low | 30.4 | Very low | 125 Ų | 125 | 122.8 Ų | 122.8 | 77% | 0.767 | 74% | 0.742 | S | S | * | * | cis | -154.6 | 137.6 | 47.2 | 41.4 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 462 | S | 29.6 | Very low | 30.4 | Very low | 98 Ų | 98 | 123 Ų | 123 | 69% | 0.685 | 74% | 0.743 | S | S | * | * | 93.5 | 127.2 | 74.2 | 90.9 | 0 | 0 | 0 | 0 | 117 | |||||
| 463 | T | 28.6 | Very low | 30.2 | Very low | 129 Ų | 129 | 127.8 Ų | 127.8 | 79% | 0.791 | 75% | 0.747 | S | S | * | * | trans | 81.7 | 150.9 | 145 | -19.9 | 0 | 0 | 0 | 0 | 121.5 | ||||
| 464 | V | 31 | Very low | 29.6 | Very low | 119 Ų | 119 | 126.3 Ų | 126.3 | 72% | 0.721 | 74% | 0.739 | S | S | * | * | trans | 75.2 | 85.8 | 162.6 | -164.3 | 0 | 0 | 0 | 0 | 119.6 | ||||
| 465 | S | 29.8 | Very low | 29.4 | Very low | 104 Ų | 104 | 127.5 Ų | 127.5 | 73% | 0.727 | 74% | 0.739 | S | S | * | * | 53.6 | 154.4 | 113 | -45.4 | 0 | 0 | 0 | 0 | 124.5 | |||||
| 466 | S | 29.1 | Very low | 29.4 | Very low | 101 Ų | 101 | 127.7 Ų | 127.7 | 71% | 0.706 | 74% | 0.736 | S | S | * | * | trans | 105.1 | 114.7 | 138.9 | -60.5 | 0 | 0 | 0 | 0 | 120.8 | ||||
| 467 | T | 27.7 | Very low | 29.6 | Very low | 110 Ų | 110 | 127.1 Ų | 127.1 | 68% | 0.675 | 72% | 0.722 | S | S | * | * | trans | 69 | 111.8 | 131.9 | 58.2 | 0 | 0 | 0 | 0 | 122.9 | ||||
| 468 | N | 26 | Very low | 29.7 | Very low | 140 Ų | 140 | 121.6 Ų | 121.6 | 75% | 0.749 | 71% | 0.712 | S | S | * | * | 74.4 | 167.3 | 120.1 | -60.8 | -4.8 | 0 | 0 | 0 | 121.5 | |||||
| 469 | T | 28.3 | Very low | 29.8 | Very low | 123 Ų | 123 | 122.2 Ų | 122.2 | 76% | 0.755 | 71% | 0.708 | S | S | * | * | trans | 68.1 | 104.8 | 158.6 | 31.3 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 470 | S | 27.9 | Very low | 29.8 | Very low | 94 Ų | 94 | 119.6 Ų | 119.6 | 66% | 0.657 | 70% | 0.704 | S | S | * | * | 64.9 | 129.6 | 93.5 | 69.8 | 0 | 0 | 0 | 0 | 111.5 | |||||
| 471 | E | 26.4 | Very low | 30.1 | Very low | 175 Ų | 175 | 118.6 Ų | 118.6 | 82% | 0.818 | 70% | 0.702 | S | S | * | * | cis | 176.5 | -168.2 | 27.7 | -120.6 | 177.1 | 144.5 | 0 | 0 | 104.7 | ||||
| 472 | S | 28.1 | Very low | 30.1 | Very low | 105 Ų | 105 | 118.1 Ų | 118.1 | 73% | 0.734 | 70% | 0.703 | S | S | * | * | trans | 70.3 | 131.1 | 169 | -59.2 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 473 | R | 28 | Very low | 30.3 | Very low | 231 Ų | 231 | 120.1 Ų | 120.1 | 87% | 0.872 | 71% | 0.706 | S | S | * | * | 67.2 | 137.3 | 58.7 | -69.9 | 178.1 | 159 | -173.1 | -4.7 | 113.6 | |||||
| 474 | S | 29.2 | Very low | 30.7 | Very low | 85 Ų | 85 | 120.1 Ų | 120.1 | 59% | 0.594 | 70% | 0.701 | S | S | * | * | cis | -172 | 142.6 | -14.5 | -106.9 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 475 | N | 32.5 | Very low | 30.6 | Very low | 150 Ų | 150 | 118.9 Ų | 118.9 | 80% | 0.802 | 70% | 0.697 | S | S | * | * | trans | 61.6 | -174.4 | 157.9 | -48.6 | -8.5 | 0 | 0 | 0 | 114.6 | ||||
| 476 | T | 30.9 | Very low | 30.7 | Very low | 120 Ų | 120 | 120.6 Ų | 120.6 | 74% | 0.736 | 70% | 0.698 | S | S | * | * | cis | -158.6 | 164.8 | 11.5 | -20 | 0 | 0 | 0 | 0 | 106.7 | ||||
| 477 | V | 33.8 | Very low | 30.6 | Very low | 82 Ų | 82 | 122.3 Ų | 122.3 | 50% | 0.497 | 70% | 0.698 | S | S | . | * | cis | -122 | -109.6 | 8.2 | -159.3 | 0 | 0 | 0 | 0 | 111.3 | I479 P562 | V477-I479 HydrophobicContact CB-CG1 4.46Å; V477-I479 HydrophobicContact CG1-CD1 3.92Å; V477-I479 HydrophobicContact CG1-CG1 3.68Å; V477-P562 HydrophobicContact CG1-CG 3.77Å | ||
| 478 | T | 32.1 | Very low | 30.7 | Very low | 102 Ų | 102 | 122.3 Ų | 122.3 | 63% | 0.626 | 70% | 0.698 | S | S | * | * | cis | -155.4 | 162.9 | -9.2 | -141.9 | 0 | 0 | 0 | 0 | 110.7 | I561 | T478-I561 VanDerWaalsContact O-CG2 3.28Å; T478-I561 WeakPolarHBondContact O-CG2 3.45Å | ||
| 479 | I | 33.3 | Very low | 30.8 | Very low | 93 Ų | 93 | 120 Ų | 120 | 48% | 0.477 | 69% | 0.693 | S | S | . | * | -131.2 | 154.4 | -100.4 | -42.4 | -179.6 | 0 | 0 | 0 | 111.2 | V477 I561 | V477-I479 HydrophobicContact CB-CG1 4.46Å; V477-I479 HydrophobicContact CG1-CD1 3.92Å; V477-I479 HydrophobicContact CG1-CG1 3.68Å; I479-I561 CarbonylContact C-O 3.53Å; I479-I561 VanDerWaalsContact C-O 3.29Å; I479-I561 WeakPolarHBondContact CA-O 3.47Å | |||
| 480 | T | 32.8 | Very low | 30.7 | Very low | 103 Ų | 103 | 121.1 Ų | 121.1 | 63% | 0.632 | 70% | 0.695 | S | S | * | * | trans | 129.8 | 147 | 136.3 | 61 | 0 | 0 | 0 | 0 | 114.7 | I561 | T480-I561 PolarHBondContact N-O 3.03Š| ||
| 481 | S | 34.7 | Very low | 30.7 | Very low | 102 Ų | 102 | 123.7 Ų | 123.7 | 71% | 0.713 | 70% | 0.699 | S | S | * | * | cis | -135.7 | 169.2 | 5.7 | -61.9 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 482 | S | 31.4 | Very low | 30.8 | Very low | 114 Ų | 114 | 119.7 Ų | 119.7 | 80% | 0.797 | 69% | 0.691 | S | S | * | * | trans | -159.8 | 154.5 | 171.8 | -69.6 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 483 | D | 35.1 | Very low | 30.7 | Very low | 140 Ų | 140 | 120.1 Ų | 120.1 | 75% | 0.749 | 69% | 0.689 | S | S | * | * | trans | -154.6 | 166.5 | -173.5 | -77.5 | -80.2 | 0 | 0 | 0 | 110.9 | ||||
| 484 | N | 35.8 | Very low | 30.7 | Very low | 129 Ų | 129 | 115.6 Ų | 115.6 | 69% | 0.69 | 68% | 0.683 | S | S | * | * | cis | 177.8 | 149.7 | -41.6 | -101.4 | -39.3 | 0 | 0 | 0 | 107.2 | ||||
| 485 | C | 29.2 | Very low | 30.6 | Very low | 94 Ų | 94 | 118.9 Ų | 118.9 | 64% | 0.635 | 69% | 0.688 | S | S | * | * | cis | -170.8 | 174.2 | -30.8 | -120.7 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 486 | N | 31.4 | Very low | 30.3 | Very low | 140 Ų | 140 | 116.4 Ų | 116.4 | 75% | 0.749 | 68% | 0.678 | S | S | * | * | trans | 67.8 | 156.8 | 156.7 | -70.4 | -9.1 | 0 | 0 | 0 | 119.5 | ||||
| 487 | L | 28.9 | Very low | 30.2 | Very low | 136 Ų | 136 | 115.5 Ų | 115.5 | 71% | 0.712 | 68% | 0.677 | S | S | * | * | cis | -166.6 | 173.3 | -29.4 | -155.3 | 70.9 | 0 | 0 | 0 | 110.1 | ||||
| 488 | T | 28.3 | Very low | 29.8 | Very low | 110 Ų | 110 | 117.4 Ų | 117.4 | 68% | 0.675 | 69% | 0.689 | S | S | * | * | trans | 58.9 | 98.7 | 152 | 38.1 | 0 | 0 | 0 | 0 | 121.6 | ||||
| 489 | S | 28.3 | Very low | 29.5 | Very low | 91 Ų | 91 | 116.7 Ų | 116.7 | 64% | 0.636 | 69% | 0.688 | S | S | * | * | 49.1 | 141.9 | 110.7 | 70 | 0 | 0 | 0 | 0 | 123.9 | |||||
| 490 | N | 26 | Very low | 29.2 | Very low | 148 Ų | 148 | 118.1 Ų | 118.1 | 79% | 0.791 | 70% | 0.701 | S | S | * | * | trans | 89.5 | 144.4 | 137.4 | -78.6 | 0.6 | 0 | 0 | 0 | 122.1 | ||||
| 491 | I | 29.7 | Very low | 28.9 | Very low | 147 Ų | 147 | 118.4 Ų | 118.4 | 75% | 0.754 | 70% | 0.703 | S | S | * | * | trans | 76.9 | 87.6 | 154.6 | -65.1 | 157.2 | 0 | 0 | 0 | 117.8 | ||||
| 492 | S | 26.7 | Very low | 28.5 | Very low | 92 Ų | 92 | 120.1 Ų | 120.1 | 64% | 0.643 | 70% | 0.704 | S | S | * | * | 66 | 137 | 112.8 | -51 | 0 | 0 | 0 | 0 | 123.3 | |||||
| 493 | T | 27 | Very low | 28.5 | Very low | 113 Ų | 113 | 122.2 Ų | 122.2 | 69% | 0.693 | 71% | 0.706 | S | S | * | * | trans | 64.9 | 123 | 135.9 | 51 | 0 | 0 | 0 | 0 | 121.4 | ||||
| 494 | N | 26.8 | Very low | 28.2 | Very low | 137 Ų | 137 | 120.6 Ų | 120.6 | 73% | 0.733 | 71% | 0.705 | S | S | * | * | trans | 72.6 | 151.6 | 136.1 | -57.7 | -6.4 | 0 | 0 | 0 | 116.9 | ||||
| 495 | H | 28.6 | Very low | 28.2 | Very low | 153 Ų | 153 | 119.7 Ų | 119.7 | 71% | 0.708 | 71% | 0.709 | S | S | * | * | cis | -149.7 | 144.5 | 0.1 | -139.7 | -143.2 | 0 | 0 | 0 | 111.1 | ||||
| 496 | V | 26.6 | Very low | 28.3 | Very low | 98 Ų | 98 | 121.4 Ų | 121.4 | 59% | 0.594 | 71% | 0.712 | S | S | * | * | 41.2 | 103 | 129.6 | 177.8 | 0 | 0 | 0 | 0 | 118.4 | |||||
| 497 | S | 26.9 | Very low | 28.6 | Very low | 102 Ų | 102 | 122 Ų | 122 | 71% | 0.713 | 71% | 0.714 | S | S | * | * | trans | 68.3 | 170.1 | 132.4 | -47.7 | 0 | 0 | 0 | 0 | 118.2 | ||||
| 498 | T | 26.7 | Very low | 28.9 | Very low | 121 Ų | 121 | 120.7 Ų | 120.7 | 74% | 0.742 | 71% | 0.714 | S | S | * | * | cis | -150.6 | 164.8 | 7.2 | -27.5 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 499 | S | 26.4 | Very low | 29.2 | Very low | 87 Ų | 87 | 122.2 Ų | 122.2 | 61% | 0.608 | 72% | 0.716 | S | S | * | * | trans | 62.5 | 118.8 | 141 | 62.2 | 0 | 0 | 0 | 0 | 122.3 | ||||
| 500 | T | 25.9 | Very low | 29.7 | Very low | 123 Ų | 123 | 125.1 Ų | 125.1 | 76% | 0.755 | 72% | 0.72 | S | S | * | * | 81.2 | 158 | 127.2 | 59.5 | 0 | 0 | 0 | 0 | 122.3 | |||||
| 501 | T | 27.3 | Very low | 30 | Very low | 110 Ų | 110 | 120.8 Ų | 120.8 | 68% | 0.675 | 71% | 0.71 | S | S | * | * | trans | 88.2 | 98.8 | 163 | 66.1 | 0 | 0 | 0 | 0 | 120.1 | ||||
| 502 | N | 26.4 | Very low | 30.3 | Very low | 137 Ų | 137 | 120.1 Ų | 120.1 | 73% | 0.733 | 71% | 0.707 | S | S | * | * | 81 | 151 | 115.5 | -60.9 | -10.1 | 0 | 0 | 0 | 122.3 | |||||
| 503 | L | 30.7 | Very low | 30.5 | Very low | 159 Ų | 159 | 121.2 Ų | 121.2 | 83% | 0.832 | 71% | 0.71 | S | S | * | * | trans | 67.1 | 113.5 | 161.1 | -62.5 | 147.8 | 0 | 0 | 0 | 115.4 | ||||
| 504 | S | 28.5 | Very low | 30.7 | Very low | 105 Ų | 105 | 120.4 Ų | 120.4 | 73% | 0.734 | 71% | 0.708 | S | S | * | * | cis | 69.3 | 105.6 | 37.1 | -45.9 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 505 | S | 35.4 | Very low | 30.9 | Very low | 110 Ų | 110 | 121.1 Ų | 121.1 | 77% | 0.769 | 71% | 0.713 | S | S | * | * | trans | -175 | 152.9 | 141.4 | 46.3 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 506 | N | 32.9 | Very low | 31.1 | Very low | 131 Ų | 131 | 119.5 Ų | 119.5 | 70% | 0.701 | 72% | 0.718 | S | S | * | * | cis | -158 | 133.3 | -27.1 | -98 | -19.4 | 0 | 0 | 0 | 106.1 | ||||
| 507 | L | 36 | Very low | 31.3 | Very low | 151 Ų | 151 | 119.8 Ų | 119.8 | 79% | 0.791 | 73% | 0.725 | S | S | * | * | 61.5 | 154.2 | 89.6 | -89.8 | 130.4 | 0 | 0 | 0 | 115.7 | |||||
| 508 | P | 35.7 | Very low | 31.4 | Very low | 109 Ų | 109 | 123.1 Ų | 123.1 | 71% | 0.708 | 73% | 0.733 | S | S | * | * | cis | -112 | -163.6 | -5.6 | 44.1 | -32.3 | 0 | 0 | 0 | 111.6 | ||||
| 509 | I | 35.6 | Very low | 31.6 | Very low | 142 Ų | 142 | 120.9 Ų | 120.9 | 73% | 0.728 | 73% | 0.734 | S | S | * | * | cis | -154.4 | 165 | 4.6 | -148.7 | 154.7 | 0 | 0 | 0 | 107.2 | ||||
| 510 | H | 37.5 | Very low | 31.7 | Very low | 152 Ų | 152 | 120 Ų | 120 | 70% | 0.704 | 74% | 0.738 | S | S | * | * | cis | -122.8 | -125.6 | 4.2 | -151.9 | -27.3 | 0 | 0 | 0 | 110.5 | ||||
| 511 | G | 32.9 | Very low | 31.9 | Very low | 58 Ų | 58 | 120.4 Ų | 120.4 | 60% | 0.598 | 74% | 0.741 | S | S | * | * | cis | 86.6 | 151.9 | 3.3 | 0 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 512 | I | 35.3 | Very low | 32.1 | Very low | 133 Ų | 133 | 123.9 Ų | 123.9 | 68% | 0.682 | 75% | 0.749 | S | S | * | * | cis | -154.5 | 134.8 | -6.4 | -94.6 | 170.3 | 0 | 0 | 0 | 104.7 | ||||
| 513 | T | 31.1 | Very low | 32.3 | Very low | 115 Ų | 115 | 126 Ų | 126 | 71% | 0.706 | 76% | 0.755 | S | S | * | * | cis | 86.2 | 137.7 | 32.9 | 66.5 | 0 | 0 | 0 | 0 | 115 | ||||
| 514 | S | 32.5 | Very low | 32.3 | Very low | 95 Ų | 95 | 123.4 Ų | 123.4 | 66% | 0.664 | 75% | 0.75 | S | S | * | * | cis | -175.2 | 159.6 | -8.2 | 45.8 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 515 | N | 30.7 | Very low | 32.4 | Very low | 153 Ų | 153 | 126.4 Ų | 126.4 | 82% | 0.818 | 75% | 0.752 | S | S | * | * | trans | 30.7 | 134.9 | 149.8 | -54.8 | -4.1 | 0 | 0 | 0 | 122 | ||||
| 516 | S | 31.6 | Very low | 32.1 | Very low | 119 Ų | 119 | 127.8 Ų | 127.8 | 83% | 0.832 | 75% | 0.749 | S | S | * | * | 176.5 | 138.6 | 106 | -74.7 | 0 | 0 | 0 | 0 | 116.1 | |||||
| 517 | S | 30.6 | Very low | 32.1 | Very low | 104 Ų | 104 | 127.2 Ų | 127.2 | 73% | 0.727 | 75% | 0.753 | S | S | * | * | trans | -34.8 | 166.5 | 171.2 | 56.2 | 0 | 0 | 0 | 0 | 123.7 | ||||
| 518 | I | 29.7 | Very low | 31.6 | Very low | 171 Ų | 171 | 128.1 Ų | 128.1 | 88% | 0.877 | 75% | 0.753 | S | S | * | * | trans | 107 | 120.9 | 153.8 | -58 | 173.1 | 0 | 0 | 0 | 116.7 | ||||
| 519 | G | 31.6 | Very low | 31 | Very low | 75 Ų | 75 | 130.2 Ų | 130.2 | 77% | 0.773 | 76% | 0.758 | S | S | * | * | trans | 121.7 | 110.8 | 144.6 | 0 | 0 | 0 | 0 | 0 | 119.3 | ||||
| 520 | G | 28.4 | Very low | 30.7 | Very low | 67 Ų | 67 | 130.6 Ų | 130.6 | 69% | 0.691 | 76% | 0.756 | S | S | * | * | trans | 86.4 | 97.8 | 135.7 | 0 | 0 | 0 | 0 | 0 | 122.2 | ||||
| 521 | T | 28.9 | Very low | 30.1 | Very low | 133 Ų | 133 | 131.7 Ų | 131.7 | 82% | 0.816 | 76% | 0.762 | S | S | * | * | trans | 63.4 | 138.6 | 134.8 | 54.1 | 0 | 0 | 0 | 0 | 123.3 | ||||
| 522 | Q | 31.9 | Very low | 30 | Very low | 182 Ų | 182 | 136.3 Ų | 136.3 | 85% | 0.85 | 77% | 0.767 | S | S | * | * | trans | 68.7 | 118.7 | 170.5 | -51.9 | -166.5 | 87.4 | 0 | 0 | 114.9 | ||||
| 523 | Q | 30.2 | Very low | 29.7 | Very low | 183 Ų | 183 | 135 Ų | 135 | 86% | 0.855 | 77% | 0.768 | S | S | * | * | cis | 61.8 | 132.4 | 45.6 | -64.8 | -174.1 | -27.7 | 0 | 0 | 113.8 | ||||
| 524 | S | 31.5 | Very low | 29.7 | Very low | 104 Ų | 104 | 136.9 Ų | 136.9 | 73% | 0.727 | 77% | 0.773 | S | S | * | * | cis | -164.2 | 177.3 | -13.7 | 67.1 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 525 | H | 30.8 | Very low | 29.5 | Very low | 167 Ų | 167 | 140.8 Ų | 140.8 | 77% | 0.773 | 79% | 0.786 | S | S | * | * | cis | -151.5 | 167.8 | 2.4 | -150.7 | -75.8 | 0 | 0 | 0 | 109.7 | ||||
| 526 | I | 28.2 | Very low | 29.5 | Very low | 139 Ų | 139 | 138.9 Ų | 138.9 | 71% | 0.713 | 78% | 0.776 | S | S | * | * | trans | -130.9 | 139 | 169.5 | -63.5 | 177 | 0 | 0 | 0 | 109.3 | ||||
| 527 | P | 32.5 | Very low | 29.2 | Very low | 119 Ų | 119 | 139.8 Ų | 139.8 | 77% | 0.773 | 77% | 0.77 | S | S | * | * | trans | -80.4 | 144.8 | 170.8 | 31.8 | -33.3 | 0 | 0 | 0 | 112.3 | ||||
| 528 | Q | 25.6 | Very low | 29.2 | Very low | 171 Ų | 171 | 142.1 Ų | 142.1 | 80% | 0.799 | 76% | 0.763 | S | S | * | * | trans | -98.8 | 178.8 | 177.1 | -65.5 | -177.1 | -14.2 | 0 | 0 | 112.1 | ||||
| 529 | L | 24.9 | Very low | 29.1 | Very low | 153 Ų | 153 | 143.6 Ų | 143.6 | 80% | 0.801 | 76% | 0.76 | S | S | * | * | trans | 76.1 | 152.1 | 167.6 | -61.2 | 139.1 | 0 | 0 | 0 | 114.1 | ||||
| 530 | Q | 27.9 | Very low | 29.1 | Very low | 149 Ų | 149 | 144.4 Ų | 144.4 | 70% | 0.696 | 74% | 0.742 | S | S | * | * | cis | -133.7 | 144.4 | 19.6 | -170.5 | 163.3 | -70.4 | 0 | 0 | 113.6 | H532 | Q530-H532 PolarHBondContact NE2-NE2 2.84Š| ||
| 531 | Q | 25.9 | Very low | 29.1 | Very low | 176 Ų | 176 | 144.4 Ų | 144.4 | 82% | 0.822 | 74% | 0.742 | S | S | * | * | trans | -78.2 | 138.7 | 171.4 | -65.7 | 177.6 | -6.9 | 0 | 0 | 110.8 | ||||
| 532 | H | 29.3 | Very low | 29.2 | Very low | 154 Ų | 154 | 142.5 Ų | 142.5 | 71% | 0.713 | 73% | 0.734 | S | S | * | * | trans | -133.3 | 110.8 | 163.2 | -81 | -81.8 | 0 | 0 | 0 | 110.4 | Q530 | Q530-H532 PolarHBondContact NE2-NE2 2.84Š| ||
| 533 | P | 30.5 | Very low | 29.3 | Very low | 107 Ų | 107 | 141.2 Ų | 141.2 | 70% | 0.695 | 73% | 0.732 | S | S | * | * | trans | -80.2 | 141.4 | 167.4 | 33.2 | -32.2 | 0 | 0 | 0 | 110.3 | ||||
| 534 | N | 31.7 | Very low | 29.3 | Very low | 154 Ų | 154 | 137.9 Ų | 137.9 | 82% | 0.824 | 73% | 0.726 | S | S | * | * | trans | 171.3 | 76.4 | 143.7 | -87.6 | -23.9 | 0 | 0 | 0 | 110.4 | N536 | N534-N536 PolarHBondContact O-N 2.9Š| ||
| 535 | L | 26.7 | Very low | 29.4 | Very low | 176 Ų | 176 | 142.1 Ų | 142.1 | 92% | 0.921 | 73% | 0.734 | S | S | * | * | trans | -71.5 | 102 | 163.3 | -81.6 | 165.2 | 0 | 0 | 0 | 108.5 | ||||
| 536 | N | 30.8 | Very low | 29.7 | Very low | 114 Ų | 114 | 141.4 Ų | 141.4 | 61% | 0.61 | 73% | 0.734 | S | S | * | * | trans | -113.4 | 93.9 | -179.6 | -136.8 | 5 | 0 | 0 | 0 | 110.6 | N534 Y538 | N534-N536 PolarHBondContact O-N 2.9Å; N536-Y538 HydrophobicContact CB-CE2 4Å; N536-Y538 PolarHBondContact ND2-OH 3.32Å | ||
| 537 | I | 26.5 | Very low | 29.9 | Very low | 138 Ų | 138 | 137.9 Ų | 137.9 | 71% | 0.708 | 73% | 0.732 | S | S | * | * | trans | -74.7 | 122.2 | -177.6 | -61.1 | 163.3 | 0 | 0 | 0 | 109.1 | ||||
| 538 | Y | 30.7 | Very low | 30.1 | Very low | 152 Ų | 152 | 140.8 Ų | 140.8 | 60% | 0.596 | 74% | 0.735 | S | S | * | * | trans | -118.7 | 136.9 | 173.3 | -78.1 | -74.4 | 0 | 0 | 0 | 113.5 | N536 | N536-Y538 HydrophobicContact CB-CE2 4Å; N536-Y538 PolarHBondContact ND2-OH 3.32Å | ||
| 539 | Y | 27.2 | Very low | 30.4 | Very low | 203 Ų | 203 | 142.1 Ų | 142.1 | 80% | 0.796 | 73% | 0.733 | S | S | * | * | trans | -86.8 | 124.5 | -170.7 | -86.9 | -113.5 | 0 | 0 | 0 | 111.8 | G541 | Y539-G541 PolarHBondContact O-N 3.43Å; Y539-G541 VanDerWaalsContact O-N 3.08Å | ||
| 540 | F | 30.8 | Very low | 30.8 | Very low | 91 Ų | 91 | 140.6 Ų | 140.6 | 40% | 0.399 | 73% | 0.732 | S | S | . | * | trans | -67.4 | 101.9 | 150.5 | -97.3 | -92.4 | 0 | 0 | 0 | 109.1 | P388 L389 S542 | P388-F540 HydrophobicContact CG-CB 4.35Å; L389-F540 HydrophobicContact CD1-CB 4.28Å; L389-F540 HydrophobicContact CD1-CD1 3.37Å; L389-F540 HydrophobicContact CD1-CE1 3.98Å; L389-F540 HydrophobicContact CD1-CG 4.13Å; L389-F540 HydrophobicContact CD2-CB 4.12Å; L389-F540 HydrophobicContact CG-CB 3.73Å; L389-F540 HydrophobicContact CG-CD1 3.66Å; L389-F540 HydrophobicContact CG-CE1 4.5Å; L389-F540 HydrophobicContact CG-CG 3.89Å; F540-S542 PolarHBondContact O-N 3.44Å | ||
| 541 | G | 29.4 | Very low | 31 | Very low | 68 Ų | 68 | 139.4 Ų | 139.4 | 70% | 0.701 | 73% | 0.727 | S | S | * | * | trans | -70.6 | 82.6 | -172.1 | 0 | 0 | 0 | 0 | 0 | 114.7 | Y539 I543 | Y539-G541 PolarHBondContact O-N 3.43Å; Y539-G541 VanDerWaalsContact O-N 3.08Å; G541-I543 PolarHBondContact O-N 2.96Å | ||
| 542 | S | 30 | Very low | 31.3 | Very low | 93 Ų | 93 | 138.4 Ų | 138.4 | 65% | 0.65 | 72% | 0.722 | S | S | * | * | trans | -66.9 | 111.3 | 169.1 | -71.3 | 0 | 0 | 0 | 0 | 111.8 | L389 F540 | L389-S542 WeakPolarHBondContact CD2-OG 3.4Å; F540-S542 PolarHBondContact O-N 3.44Å | ||
| 543 | I | 34.6 | Very low | 31.4 | Very low | 155 Ų | 155 | 139.4 Ų | 139.4 | 80% | 0.795 | 72% | 0.724 | S | S | * | * | P | Polyproline II helix | trans | -84.7 | 130.2 | 162.2 | -61.3 | 179.8 | 0 | 0 | 0 | 107.7 | G541 H545 | G541-I543 PolarHBondContact O-N 2.96Å; I543-H545 PolarHBondContact O-N 3.29Å |
| 544 | P | 30.1 | Very low | 31.5 | Very low | 113 Ų | 113 | 142 Ų | 142 | 73% | 0.734 | 73% | 0.731 | S | S | * | * | P | Polyproline II helix | trans | -68.9 | 133.1 | -168.8 | 25.7 | -35 | 0 | 0 | 0 | 113.3 | I546 | P544-I546 PolarHBondContact O-N 2.86Š|
| 545 | H | 34.4 | Very low | 31.6 | Very low | 192 Ų | 192 | 141.5 Ų | 141.5 | 89% | 0.889 | 72% | 0.723 | S | S | * | * | P | Polyproline II helix | trans | -65.6 | 116 | 168.4 | -97.1 | -71.5 | 0 | 0 | 0 | 110.9 | I543 G547 | I543-H545 PolarHBondContact O-N 3.29Å; H545-G547 PolarHBondContact O-N 3.45Å |
| 546 | I | 36.5 | Very low | 32.3 | Very low | 152 Ų | 152 | 138.4 Ų | 138.4 | 78% | 0.779 | 71% | 0.714 | S | S | * | * | trans | -69.7 | 115.9 | 158 | -64 | 176.7 | 0 | 0 | 0 | 107.2 | P544 | P544-I546 PolarHBondContact O-N 2.86Š| ||
| 547 | G | 31.8 | Very low | 32.3 | Very low | 65 Ų | 65 | 137.1 Ų | 137.1 | 67% | 0.67 | 71% | 0.714 | S | S | * | * | trans | -85.2 | 132.7 | -174.3 | 0 | 0 | 0 | 0 | 0 | 113.4 | H545 | H545-G547 PolarHBondContact O-N 3.45Š| ||
| 548 | H | 37.1 | Very low | 32.5 | Very low | 181 Ų | 181 | 137.4 Ų | 137.4 | 84% | 0.838 | 71% | 0.714 | S | S | * | * | trans | -106.8 | 123.9 | 159.4 | -76.5 | -67.3 | 0 | 0 | 0 | 109.8 | ||||
| 549 | R | 32.4 | Very low | 32.4 | Very low | 198 Ų | 198 | 136 Ų | 136 | 75% | 0.747 | 72% | 0.721 | S | S | * | * | trans | -95.9 | 117.9 | -168.3 | -179.2 | -169.9 | -169.9 | -140.6 | 2.5 | 110.8 | Q551 | R549-Q551 HydrophobicContact CG-CG 3.97Å; R549-Q551 VanDerWaalsContact CZ-CG 3.46Å; R549-Q551 VanDerWaalsContact NH2-CD 3.25Å | ||
| 550 | P | 32.4 | Very low | 32.9 | Very low | 121 Ų | 121 | 130 Ų | 130 | 79% | 0.786 | 71% | 0.707 | S | S | * | * | trans | -77.2 | 130.7 | 163.7 | 31.3 | -31.3 | 0 | 0 | 0 | 109.9 | ||||
| 551 | Q | 32.6 | Very low | 33.1 | Very low | 125 Ų | 125 | 130.7 Ų | 130.7 | 58% | 0.584 | 71% | 0.714 | S | S | * | * | trans | -136.5 | 130.2 | 171.4 | -80.3 | -96 | -93.1 | 0 | 0 | 108.2 | R549 | R549-Q551 HydrophobicContact CG-CG 3.97Å; R549-Q551 VanDerWaalsContact CZ-CG 3.46Å; R549-Q551 VanDerWaalsContact NH2-CD 3.25Å | ||
| 552 | H | 32.9 | Very low | 33.6 | Very low | 155 Ų | 155 | 130.4 Ų | 130.4 | 72% | 0.718 | 70% | 0.7 | S | S | * | * | trans | -153.8 | 130.4 | 175.7 | -104.6 | -82.6 | 0 | 0 | 0 | 109.7 | ||||
| 553 | F | 30.4 | Very low | 33.9 | Very low | 175 Ų | 175 | 131.9 Ų | 131.9 | 77% | 0.768 | 71% | 0.705 | S | S | * | * | trans | 68.2 | 136.7 | 165.9 | -54.5 | -55.1 | 0 | 0 | 0 | 116.7 | ||||
| 554 | L | 31.9 | Very low | 33.8 | Very low | 160 Ų | 160 | 128.3 Ų | 128.3 | 84% | 0.838 | 70% | 0.698 | S | S | * | * | cis | -146.7 | 175.2 | 3.9 | -117.1 | 163.5 | 0 | 0 | 0 | 113.1 | ||||
| 555 | H | 35.1 | Very low | 34.1 | Very low | 144 Ų | 144 | 128.5 Ų | 128.5 | 67% | 0.667 | 70% | 0.698 | S | S | * | * | trans | -75.3 | 178.5 | -172.6 | -145.1 | -138.3 | 0 | 0 | 0 | 112.8 | ||||
| 556 | P | 39.9 | Very low | 33.9 | Very low | 112 Ų | 112 | 125.1 Ų | 125.1 | 73% | 0.727 | 69% | 0.691 | S | S | * | * | cis | -131.5 | -167.3 | 8.5 | 48.9 | -31.5 | 0 | 0 | 0 | 114.3 | ||||
| 557 | S | 30.9 | Very low | 33.8 | Very low | 86 Ų | 86 | 126.3 Ų | 126.3 | 60% | 0.601 | 70% | 0.697 | S | S | * | * | cis | -158 | 156.4 | 9.5 | 59.3 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 558 | M | 30.8 | Very low | 33.9 | Very low | 145 Ų | 145 | 127.4 Ų | 127.4 | 71% | 0.714 | 70% | 0.7 | S | S | * | * | trans | 40.4 | 142.3 | 148.9 | -54.5 | -59.5 | 97.4 | 0 | 0 | 120.7 | ||||
| 559 | T | 30.3 | Very low | 33.8 | Very low | 121 Ų | 121 | 124.2 Ų | 124.2 | 74% | 0.742 | 70% | 0.696 | S | S | * | * | cis | -163.8 | 172.5 | 2.9 | 14.2 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 560 | P | 36.5 | Very low | 34.4 | Very low | 78 Ų | 78 | 120.7 Ų | 120.7 | 51% | 0.506 | 70% | 0.699 | S | S | . | * | trans | -139.1 | -178.9 | -136 | 47.1 | -32.3 | 0 | 0 | 0 | 121.2 | ||||
| 561 | I | 35.6 | Very low | 34.7 | Very low | 106 Ų | 106 | 120.8 Ų | 120.8 | 54% | 0.544 | 70% | 0.699 | S | S | . | * | trans | 76.8 | 169.7 | 147.5 | -79.6 | 158.4 | 0 | 0 | 0 | 117.2 | T478 I479 T480 | T478-I561 VanDerWaalsContact O-CG2 3.28Å; T478-I561 WeakPolarHBondContact O-CG2 3.45Å; I479-I561 CarbonylContact C-O 3.53Å; I479-I561 VanDerWaalsContact C-O 3.29Å; I479-I561 WeakPolarHBondContact CA-O 3.47Å; T480-I561 PolarHBondContact N-O 3.03Å | ||
| 562 | P | 38.6 | Very low | 34.8 | Very low | 62 Ų | 62 | 123.3 Ų | 123.3 | 40% | 0.403 | 71% | 0.71 | S | S | . | * | cis | -83 | -125.7 | -37.2 | 5.6 | 11.9 | 0 | 0 | 0 | 113 | V477 | V477-P562 HydrophobicContact CG1-CG 3.77Š| ||
| 563 | V | 36.3 | Very low | 35.1 | Very low | 123 Ų | 123 | 125.2 Ų | 125.2 | 75% | 0.745 | 72% | 0.717 | S | S | * | * | cis | -146.3 | -148.2 | 3.6 | -147.9 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 564 | A | 33.4 | Very low | 35.5 | Very low | 80 Ų | 80 | 122.9 Ų | 122.9 | 66% | 0.661 | 72% | 0.717 | S | S | * | * | trans | -156.4 | 177.8 | -160 | 0 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 565 | T | 35.5 | Very low | 36 | Very low | 118 Ų | 118 | 120.1 Ų | 120.1 | 72% | 0.724 | 71% | 0.709 | S | S | * | * | cis | -163.5 | 145.7 | 29.9 | -30.2 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 566 | T | 32 | Very low | 36.3 | Very low | 121 Ų | 121 | 119 Ų | 119 | 74% | 0.742 | 71% | 0.714 | S | S | * | * | trans | 57.5 | 135.9 | 153.9 | 37.2 | 0 | 0 | 0 | 0 | 120.1 | ||||
| 567 | L | 33.1 | Very low | 36 | Very low | 176 Ų | 176 | 118.9 Ų | 118.9 | 92% | 0.921 | 71% | 0.713 | S | S | * | * | -138.4 | 169.5 | 57.6 | -99.6 | 137.2 | 0 | 0 | 0 | 114.5 | |||||
| 568 | A | 34.1 | Very low | 36.3 | Very low | 88 Ų | 88 | 124.7 Ų | 124.7 | 73% | 0.727 | 73% | 0.728 | S | S | * | * | trans | -104.3 | 157.7 | -148.3 | 0 | 0 | 0 | 0 | 0 | 118.2 | ||||
| 569 | P | 34.7 | Very low | 36.4 | Very low | 115 Ų | 115 | 125.1 Ų | 125.1 | 75% | 0.747 | 73% | 0.728 | S | S | * | * | trans | -104.8 | 166.5 | 151.7 | 38.2 | -30.3 | 0 | 0 | 0 | 112.9 | ||||
| 570 | P | 45.9 | Very low | 36.5 | Very low | 124 Ų | 124 | 126.7 Ų | 126.7 | 81% | 0.805 | 73% | 0.726 | S | S | * | * | trans | -85.1 | 163 | -173.3 | 33.5 | -36.5 | 0 | 0 | 0 | 115.9 | ||||
| 571 | P | 37.6 | Very low | 36.1 | Very low | 123 Ų | 123 | 129.6 Ų | 129.6 | 80% | 0.799 | 74% | 0.737 | S | S | * | * | trans | -106.8 | -178.3 | -163.4 | 41.8 | -37.3 | 0 | 0 | 0 | 117.3 | ||||
| 572 | H | 35.6 | Very low | 36 | Very low | 177 Ų | 177 | 131.9 Ų | 131.9 | 82% | 0.819 | 75% | 0.75 | S | S | * | * | trans | -70.3 | 169.4 | -176 | -62.7 | -107.8 | 0 | 0 | 0 | 116.2 | ||||
| 573 | F | 38.1 | Very low | 36.1 | Very low | 196 Ų | 196 | 132.9 Ų | 132.9 | 86% | 0.86 | 76% | 0.756 | S | S | * | * | trans | -137.2 | 125.5 | 150.2 | -136.2 | -90.3 | 0 | 0 | 0 | 112.9 | P575 | F573-P575 HydrophobicContact CD1-CG 4.49Å; F573-P575 HydrophobicContact CE1-CG 4.45Å | ||
| 574 | V | 39.4 | Very low | 36 | Very low | 126 Ų | 126 | 135 Ų | 135 | 76% | 0.764 | 76% | 0.758 | S | S | * | * | trans | -149.8 | 126.9 | 171 | 177.7 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 575 | P | 42.8 | Very low | 36 | Very low | 102 Ų | 102 | 138.1 Ų | 138.1 | 66% | 0.662 | 76% | 0.762 | S | S | * | * | trans | -96.3 | 154.7 | 171.2 | -8.1 | 28 | 0 | 0 | 0 | 114 | F573 | F573-P575 HydrophobicContact CD1-CG 4.49Å; F573-P575 HydrophobicContact CE1-CG 4.45Å | ||
| 576 | P | 40.5 | Very low | 36 | Very low | 120 Ų | 120 | 140.7 Ų | 140.7 | 78% | 0.779 | 77% | 0.766 | S | S | * | * | trans | -115 | 177.1 | -168.7 | 42.9 | -33.8 | 0 | 0 | 0 | 115.1 | ||||
| 577 | P | 34.7 | Very low | 36.7 | Very low | 109 Ų | 109 | 139.7 Ų | 139.7 | 71% | 0.708 | 76% | 0.762 | S | S | * | * | trans | -92.8 | 150.5 | 166.4 | 36.2 | -33.1 | 0 | 0 | 0 | 113.2 | ||||
| 578 | F | 37 | Very low | 37 | Very low | 208 Ų | 208 | 140.8 Ų | 140.8 | 91% | 0.912 | 76% | 0.762 | S | S | * | * | trans | -177.3 | -167.1 | 141.9 | -101.2 | -60.4 | 0 | 0 | 0 | 112.4 | ||||
| 579 | H | 32.1 | Very low | 37 | Very low | 155 Ų | 155 | 141.3 Ų | 141.3 | 72% | 0.718 | 76% | 0.76 | S | S | * | * | trans | -120.8 | 166.1 | -152.4 | -93.3 | -136.4 | 0 | 0 | 0 | 117.3 | ||||
| 580 | H | 32.1 | Very low | 37.1 | Very low | 153 Ų | 153 | 145.4 Ų | 145.4 | 71% | 0.708 | 77% | 0.766 | S | S | * | * | trans | 90.2 | 117.8 | 146 | -76.8 | -59.8 | 0 | 0 | 0 | 124.2 | ||||
| 581 | L | 29.5 | Very low | 36.6 | Very low | 140 Ų | 140 | 145.2 Ų | 145.2 | 73% | 0.733 | 76% | 0.763 | S | S | * | * | 85.1 | 109.4 | 128.4 | -68.3 | 167.9 | 0 | 0 | 0 | 125.1 | |||||
| 582 | L | 32.2 | Very low | 37.1 | Very low | 154 Ų | 154 | 145.3 Ų | 145.3 | 81% | 0.806 | 76% | 0.763 | S | S | * | * | 85.5 | 169.6 | 128.2 | -116.4 | 72.9 | 0 | 0 | 0 | 120.5 | |||||
| 583 | P | 41.4 | Very low | 37.2 | Very low | 83 Ų | 83 | 140.3 Ų | 140.3 | 54% | 0.539 | 76% | 0.76 | S | S | . | * | -140.6 | -178.4 | -94.1 | 48.1 | -32.7 | 0 | 0 | 0 | 120.5 | |||||
| 584 | H | 34 | Very low | 37.7 | Very low | 167 Ų | 167 | 135.6 Ų | 135.6 | 77% | 0.773 | 75% | 0.749 | S | S | * | * | trans | 75.3 | 160.6 | 157.8 | -51.2 | -43.9 | 0 | 0 | 0 | 119 | ||||
| 585 | L | 32.7 | Very low | 37.7 | Very low | 146 Ų | 146 | 139.2 Ų | 139.2 | 76% | 0.764 | 75% | 0.75 | S | S | * | * | cis | -142.5 | 139.3 | 5 | -95.8 | 103.1 | 0 | 0 | 0 | 114 | ||||
| 586 | H | 36.8 | Very low | 37.4 | Very low | 171 Ų | 171 | 143 Ų | 143 | 79% | 0.792 | 76% | 0.756 | S | S | * | * | trans | 68.1 | 157 | 136.1 | -71.7 | 75.9 | 0 | 0 | 0 | 127.3 | ||||
| 587 | P | 46.2 | Very low | 37.1 | Very low | 101 Ų | 101 | 145 Ų | 145 | 66% | 0.656 | 76% | 0.758 | S | S | * | * | trans | -137.7 | -173.8 | -160.6 | 46.1 | -27.7 | 0 | 0 | 0 | 117.6 | ||||
| 588 | H | 40.3 | Very low | 37.1 | Very low | 199 Ų | 199 | 144.6 Ų | 144.6 | 92% | 0.921 | 76% | 0.755 | S | S | * | * | trans | -150.9 | 174.9 | 157.4 | -89.3 | -64.4 | 0 | 0 | 0 | 112.8 | ||||
| 589 | S | 33.9 | Very low | 37.5 | Very low | 98 Ų | 98 | 139.2 Ų | 139.2 | 69% | 0.685 | 74% | 0.741 | S | S | * | * | trans | -150.4 | 156.5 | -157.8 | 58.1 | 0 | 0 | 0 | 0 | 116 | ||||
| 590 | F | 36.8 | Very low | 37.5 | Very low | 201 Ų | 201 | 141.7 Ų | 141.7 | 88% | 0.882 | 75% | 0.75 | S | S | * | * | trans | -168.4 | -177.4 | 142.5 | -105.9 | -65 | 0 | 0 | 0 | 113.9 | ||||
| 591 | T | 36.1 | Very low | 37.6 | Very low | 120 Ų | 120 | 139.4 Ų | 139.4 | 74% | 0.736 | 76% | 0.758 | S | S | * | * | trans | -140.5 | -162.2 | -152.1 | 49.4 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 592 | P | 46.7 | Very low | 37.7 | Very low | 125 Ų | 125 | 139 Ų | 139 | 81% | 0.812 | 77% | 0.767 | S | S | * | * | -129.5 | -179.6 | -63.9 | 36.9 | -20.2 | 0 | 0 | 0 | 115.2 | |||||
| 593 | G | 38.7 | Very low | 37.7 | Very low | 73 Ų | 73 | 135.5 Ų | 135.5 | 75% | 0.753 | 77% | 0.768 | S | S | * | * | trans | -172.5 | 131.8 | 164.6 | 0 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 594 | P | 48 | Very low | 37.3 | Very low | 96 Ų | 96 | 138.6 Ų | 138.6 | 62% | 0.623 | 78% | 0.78 | S | S | * | * | trans | -137.2 | -169.7 | -152.4 | 21 | 7.4 | 0 | 0 | 0 | 119.4 | ||||
| 595 | Y | 40 | Very low | 37.4 | Very low | 203 Ų | 203 | 136.6 Ų | 136.6 | 80% | 0.796 | 78% | 0.775 | S | S | * | * | trans | 98.7 | 151.6 | 159.8 | -58.9 | -79.5 | 0 | 0 | 0 | 120 | ||||
| 596 | F | 36.6 | Very low | 37.3 | Very low | 180 Ų | 180 | 136.2 Ų | 136.2 | 79% | 0.789 | 77% | 0.773 | S | S | * | * | -177.3 | -166.2 | -50.7 | -108.8 | -53.7 | 0 | 0 | 0 | 107.4 | |||||
| 597 | M | 33.9 | Very low | 37.1 | Very low | 163 Ų | 163 | 133.3 Ų | 133.3 | 80% | 0.803 | 77% | 0.772 | S | S | * | * | cis | -157.3 | 147.8 | 4.8 | -162.9 | -175.2 | 166 | 0 | 0 | 111.2 | ||||
| 598 | P | 33.9 | Very low | 36.5 | Very low | 100 Ų | 100 | 133.5 Ų | 133.5 | 65% | 0.649 | 78% | 0.776 | S | S | * | * | trans | -130.3 | 176.7 | 149.2 | 40.7 | -30.5 | 0 | 0 | 0 | 112.5 | ||||
| 599 | P | 45.9 | Very low | 36.1 | Very low | 96 Ų | 96 | 132.6 Ų | 132.6 | 62% | 0.623 | 77% | 0.774 | S | S | * | * | cis | -130.2 | -177.1 | -44.2 | 32.7 | -13 | 0 | 0 | 0 | 113.3 | ||||
| 600 | F | 31.8 | Very low | 36.1 | Very low | 206 Ų | 206 | 135.3 Ų | 135.3 | 90% | 0.904 | 78% | 0.781 | S | S | * | * | trans | 65.5 | 117.5 | 167.9 | -61.2 | -74.2 | 0 | 0 | 0 | 120.9 | ||||
| 601 | A | 34.7 | Very low | 36.3 | Very low | 106 Ų | 106 | 131.5 Ų | 131.5 | 88% | 0.876 | 78% | 0.776 | S | S | * | * | trans | -173.9 | 162.1 | 130.6 | 0 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 602 | S | 31.4 | Very low | 36.5 | Very low | 131 Ų | 131 | 130 Ų | 130 | 92% | 0.916 | 78% | 0.776 | S | S | * | * | trans | -76.5 | 155.8 | 180 | -47.5 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 603 | G | 33 | Very low | 36.2 | Very low | 80 Ų | 80 | 129.5 Ų | 129.5 | 83% | 0.825 | 77% | 0.772 | S | S | * | * | trans | 169.6 | 114.5 | 164.8 | 0 | 0 | 0 | 0 | 0 | 116.1 | ||||
| 604 | N | 33 | Very low | 36.1 | Very low | 149 Ų | 149 | 131.8 Ų | 131.8 | 80% | 0.797 | 78% | 0.777 | S | S | * | * | trans | -63.9 | 153.7 | -176.2 | -100.7 | 9.3 | 0 | 0 | 0 | 117.6 | ||||
| 605 | N | 34.2 | Very low | 35.5 | Very low | 124 Ų | 124 | 130.7 Ų | 130.7 | 66% | 0.663 | 78% | 0.783 | S | S | * | * | trans | 82.8 | 118.1 | 138.1 | -66.7 | 1.3 | 0 | 0 | 0 | 123.9 | ||||
| 606 | N | 31.8 | Very low | 35.6 | Very low | 138 Ų | 138 | 127.5 Ų | 127.5 | 74% | 0.738 | 79% | 0.787 | S | S | * | * | trans | 88.1 | 148.6 | 131.7 | -63.5 | -3.9 | 0 | 0 | 0 | 122.6 | ||||
| 607 | S | 33 | Very low | 35.5 | Very low | 110 Ų | 110 | 122.5 Ų | 122.5 | 77% | 0.769 | 79% | 0.786 | S | S | * | * | trans | 73 | 112.1 | 168.3 | -51.3 | 0 | 0 | 0 | 0 | 116.3 | ||||
| 608 | S | 33.4 | Very low | 35.7 | Very low | 106 Ų | 106 | 121 Ų | 121 | 74% | 0.741 | 79% | 0.786 | S | S | * | * | 74.8 | 131 | 55.1 | 83.3 | 0 | 0 | 0 | 0 | 113.2 | |||||
| 609 | M | 32.3 | Very low | 35.7 | Very low | 179 Ų | 179 | 121.7 Ų | 121.7 | 88% | 0.882 | 79% | 0.788 | S | S | * | * | cis | -147.8 | 177.9 | 25.3 | -68 | -172.7 | 80.9 | 0 | 0 | 115.8 | ||||
| 610 | L | 33.7 | Very low | 35.2 | Very low | 156 Ų | 156 | 124.1 Ų | 124.1 | 82% | 0.817 | 80% | 0.795 | S | S | * | * | trans | -67.1 | -169.7 | 168.6 | -63.8 | 158.9 | 0 | 0 | 0 | 114.5 | ||||
| 611 | P | 40.9 | Very low | 35.5 | Very low | 120 Ų | 120 | 119.6 Ų | 119.6 | 78% | 0.779 | 79% | 0.786 | S | S | * | * | cis | -134.5 | -166.2 | -23.2 | 24.5 | 1.2 | 0 | 0 | 0 | 114.9 | ||||
| 612 | A | 39 | Very low | 35.4 | Very low | 89 Ų | 89 | 119.1 Ų | 119.1 | 74% | 0.736 | 78% | 0.776 | S | S | * | * | trans | -87 | 178.8 | 164.9 | 0 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 613 | P | 40.8 | Very low | 35.5 | Very low | 114 Ų | 114 | 120.3 Ų | 120.3 | 74% | 0.74 | 77% | 0.772 | S | S | * | * | -162.2 | -178.9 | 82 | 41.9 | -20.1 | 0 | 0 | 0 | 119.4 | |||||
| 614 | S | 36.4 | Very low | 35.5 | Very low | 122 Ų | 122 | 120.8 Ų | 120.8 | 85% | 0.853 | 76% | 0.762 | S | S | * | * | trans | 58.2 | 154.4 | 153.5 | 53 | 0 | 0 | 0 | 0 | 121 | ||||
| 615 | G | 35.8 | Very low | 35.6 | Very low | 73 Ų | 73 | 119.3 Ų | 119.3 | 75% | 0.753 | 76% | 0.759 | S | S | * | * | cis | 137.6 | 173.4 | 9.9 | 0 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 616 | P | 42.8 | Very low | 35.5 | Very low | 136 Ų | 136 | 119.8 Ų | 119.8 | 88% | 0.883 | 77% | 0.766 | S | S | * | * | cis | -136.4 | -171.9 | -19.9 | 44.3 | -26.6 | 0 | 0 | 0 | 115.2 | ||||
| 617 | G | 34 | Very low | 35.3 | Very low | 74 Ų | 74 | 119.4 Ų | 119.4 | 76% | 0.763 | 77% | 0.769 | S | S | * | * | trans | 91.8 | 160.9 | 160.4 | 0 | 0 | 0 | 0 | 0 | 117.6 | ||||
| 618 | V | 37.5 | Very low | 35.5 | Very low | 132 Ų | 132 | 117.7 Ų | 117.7 | 80% | 0.8 | 76% | 0.756 | S | S | * | * | cis | -154.7 | 134.3 | 10 | 170.2 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 619 | T | 35.2 | Very low | 35.3 | Very low | 114 Ų | 114 | 116.7 Ų | 116.7 | 70% | 0.699 | 75% | 0.745 | S | S | * | * | trans | 51.4 | 121.8 | 151.9 | -49.2 | 0 | 0 | 0 | 0 | 120.3 | ||||
| 620 | I | 35.6 | Very low | 35.2 | Very low | 148 Ų | 148 | 112.8 Ų | 112.8 | 76% | 0.759 | 73% | 0.731 | S | S | * | * | 72 | 149 | 55.9 | -61.3 | 172.3 | 0 | 0 | 0 | 111.9 | |||||
| 621 | P | 37.8 | Very low | 35 | Very low | 111 Ų | 111 | 111.8 Ų | 111.8 | 72% | 0.721 | 73% | 0.727 | S | S | * | * | cis | -110.1 | 174.8 | 3.9 | 16.3 | 9.2 | 0 | 0 | 0 | 113.9 | ||||
| 622 | S | 31.7 | Very low | 34.5 | Very low | 96 Ų | 96 | 110 Ų | 110 | 67% | 0.671 | 71% | 0.711 | S | S | * | * | cis | 99.3 | 119.9 | 18.9 | 100.4 | 0 | 0 | 0 | 0 | 116.8 | ||||
| 623 | L | 34.7 | Very low | 34.1 | Very low | 156 Ų | 156 | 112 Ų | 112 | 82% | 0.817 | 70% | 0.7 | S | S | * | * | trans | -176.5 | 117 | 143.7 | -117.3 | 70.8 | 0 | 0 | 0 | 106.1 | ||||
| 624 | S | 33.1 | Very low | 33.5 | Very low | 89 Ų | 89 | 113.2 Ų | 113.2 | 62% | 0.622 | 70% | 0.701 | S | S | * | * | 71.6 | 137.7 | 88.4 | 90.6 | 0 | 0 | 0 | 0 | 114.2 | |||||
| 625 | T | 33.4 | Very low | 33.1 | Very low | 119 Ų | 119 | 114.6 Ų | 114.6 | 73% | 0.73 | 70% | 0.698 | S | S | * | * | cis | -161.4 | 173.1 | 7.5 | -5 | 0 | 0 | 0 | 0 | 113 | ||||
| 626 | T | 33.3 | Very low | 32.8 | Very low | 134 Ų | 134 | 116.1 Ų | 116.1 | 82% | 0.822 | 70% | 0.698 | S | S | * | * | trans | 69.6 | 127.7 | 152.4 | 43.9 | 0 | 0 | 0 | 0 | 123 | ||||
| 627 | T | 27.9 | Very low | 32.2 | Very low | 130 Ų | 130 | 117.8 Ų | 117.8 | 80% | 0.798 | 70% | 0.697 | S | S | * | * | trans | -97 | -160.5 | 160 | 54.1 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 628 | P | 35.4 | Very low | 32 | Very low | 74 Ų | 74 | 117.1 Ų | 117.1 | 48% | 0.481 | 69% | 0.691 | S | S | . | * | cis | -90.8 | -104.5 | -27.9 | 2.7 | 17.9 | 0 | 0 | 0 | 114.3 | K906 | P628-K906 HydrophobicContact CB-CD 4.31Å; P628-K906 PolarHBondContact O-NZ 3.16Å | ||
| 629 | T | 30.6 | Very low | 31.6 | Very low | 84 Ų | 84 | 118.7 Ų | 118.7 | 52% | 0.515 | 69% | 0.694 | S | S | . | * | cis | -139.5 | -159.5 | -23.7 | -23.4 | 0 | 0 | 0 | 0 | 111.9 | K906 | T629-K906 VanDerWaalsContact N-NZ 3.11Å; T629-K906 VanDerWaalsContact O-CD 3.26Å; T629-K906 WeakPolarHBondContact O-CD 3.17Å; T629-K906 PolarHBondContact O-NZ 3.26Å | ||
| 630 | T | 30.5 | Very low | 31.3 | Very low | 98 Ų | 98 | 120.9 Ų | 120.9 | 60% | 0.601 | 70% | 0.7 | S | S | * | * | trans | -70.2 | 162.3 | -168 | 41.7 | 0 | 0 | 0 | 0 | 121.5 | ||||
| 631 | N | 29.4 | Very low | 31 | Very low | 135 Ų | 135 | 119 Ų | 119 | 72% | 0.722 | 70% | 0.698 | S | S | * | * | trans | 76.8 | 127.9 | 141.7 | -67.7 | 9.5 | 0 | 0 | 0 | 123.7 | ||||
| 632 | N | 29.7 | Very low | 30.6 | Very low | 83 Ų | 83 | 119.3 Ų | 119.3 | 44% | 0.444 | 70% | 0.697 | S | S | . | * | trans | 61.5 | 118 | 132 | -70.2 | 22.4 | 0 | 0 | 0 | 123.6 | E901 N902 | N632-E901 PolarHBondContact ND2-OE1 3.43Å; N632-E901 VanDerWaalsContact ND2-OE1 3.11Å; N632-N902 PolarHBondContact OD1-ND2 3.45Å | ||
| 633 | Y | 29.6 | Very low | 30.5 | Very low | 130 Ų | 130 | 121.8 Ų | 121.8 | 51% | 0.51 | 70% | 0.702 | S | S | . | * | trans | 68.3 | 131.7 | 134.6 | -83.1 | -85.8 | 0 | 0 | 0 | 123.2 | L900 E901 | Y633-L900 HydrophobicContact CE2-CD2 4.42Å; Y633-L900 VanDerWaalsContact OH-CG 3.31Å; Y633-L900 WeakPolarHBondContact OH-CG 3.49Å; Y633-E901 HydrophobicContact CE2-CG 3.93Å; Y633-E901 WeakPolarHBondContact CE2-OE1 3.42Å | ||
| 634 | N | 29.2 | Very low | 30.5 | Very low | 140 Ų | 140 | 119 Ų | 119 | 75% | 0.749 | 69% | 0.692 | S | S | * | * | trans | 76 | 144.4 | 149.9 | -67.7 | -25.3 | 0 | 0 | 0 | 121.2 | ||||
| 635 | N | 28.7 | Very low | 30.3 | Very low | 151 Ų | 151 | 122.5 Ų | 122.5 | 81% | 0.807 | 70% | 0.698 | S | S | * | * | trans | -35.7 | 130.4 | 167.6 | -49.9 | -19.2 | 0 | 0 | 0 | 116.1 | ||||
| 636 | S | 29.4 | Very low | 30.4 | Very low | 105 Ų | 105 | 123 Ų | 123 | 73% | 0.734 | 70% | 0.7 | S | S | * | * | -178.8 | 125.3 | 125.1 | -82.8 | 0 | 0 | 0 | 0 | 108.7 | |||||
| 637 | I | 30.4 | Very low | 30.4 | Very low | 170 Ų | 170 | 122 Ų | 122 | 87% | 0.872 | 70% | 0.696 | S | S | * | * | 72.2 | 131.7 | 79.8 | -65.3 | 172 | 0 | 0 | 0 | 113 | |||||
| 638 | G | 28.1 | Very low | 30.7 | Very low | 61 Ų | 61 | 121 Ų | 121 | 63% | 0.629 | 70% | 0.695 | S | S | * | * | trans | 112 | 128.5 | -172.5 | 0 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 639 | L | 29.1 | Very low | 30.2 | Very low | 165 Ų | 165 | 123.2 Ų | 123.2 | 86% | 0.864 | 71% | 0.707 | S | S | * | * | S | Bend | cis | -144.2 | 156.5 | 2.7 | -60.2 | 166.1 | 0 | 0 | 0 | 106.2 | ||
| 640 | L | 28.7 | Very low | 30.1 | Very low | 159 Ų | 159 | 128.2 Ų | 128.2 | 83% | 0.832 | 72% | 0.722 | S | S | * | * | cis | -138.7 | 175.7 | 13.9 | -100.9 | 115.9 | 0 | 0 | 0 | 109.7 | ||||
| 641 | P | 29.6 | Very low | 30.1 | Very low | 109 Ų | 109 | 128.6 Ų | 128.6 | 71% | 0.708 | 72% | 0.72 | S | S | * | * | trans | -124.1 | -140.3 | -144.9 | 42.4 | -27.9 | 0 | 0 | 0 | 114.1 | ||||
| 642 | V | 30.7 | Very low | 29.9 | Very low | 118 Ų | 118 | 129 Ų | 129 | 72% | 0.715 | 72% | 0.718 | S | S | * | * | trans | 90.2 | 95.3 | 169.1 | -173.6 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 643 | L | 29.6 | Very low | 29.8 | Very low | 148 Ų | 148 | 130.1 Ų | 130.1 | 78% | 0.775 | 73% | 0.727 | S | S | * | * | 73.1 | 144.4 | 95 | -63.7 | -170.2 | 0 | 0 | 0 | 112.7 | |||||
| 644 | T | 33.4 | Very low | 29.8 | Very low | 97 Ų | 97 | 130.2 Ų | 130.2 | 60% | 0.595 | 74% | 0.737 | S | S | * | * | cis | -155 | 158.9 | 10.7 | -7.9 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 645 | E | 29.4 | Very low | 29.9 | Very low | 163 Ų | 163 | 131.8 Ų | 131.8 | 76% | 0.762 | 74% | 0.739 | S | S | * | * | 26.9 | 156.4 | 127.5 | -71.4 | 161.2 | -143 | 0 | 0 | 121.9 | |||||
| 646 | V | 34.7 | Very low | 30.3 | Very low | 128 Ų | 128 | 129.3 Ų | 129.3 | 78% | 0.776 | 73% | 0.731 | S | S | * | * | cis | -150.9 | 173.3 | 17.5 | -119.6 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 647 | P | 34.9 | Very low | 30.4 | Very low | 113 Ų | 113 | 129.7 Ų | 129.7 | 73% | 0.734 | 73% | 0.734 | S | S | * | * | trans | -109.7 | -146.2 | -169.7 | 43.9 | -35.2 | 0 | 0 | 0 | 114.9 | ||||
| 648 | S | 32.8 | Very low | 30.3 | Very low | 109 Ų | 109 | 127.4 Ų | 127.4 | 76% | 0.762 | 73% | 0.729 | S | S | * | * | trans | 83.9 | 137 | -172.7 | 74.2 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 649 | V | 26.2 | Very low | 30.5 | Very low | 122 Ų | 122 | 130.7 Ų | 130.7 | 74% | 0.739 | 74% | 0.736 | S | S | * | * | cis | 81.4 | 137 | 18.8 | -166.1 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 650 | F | 28.9 | Very low | 30.6 | Very low | 188 Ų | 188 | 129.7 Ų | 129.7 | 83% | 0.825 | 73% | 0.731 | S | S | * | * | trans | 70.1 | 142.8 | -164.8 | -76.1 | -99.2 | 0 | 0 | 0 | 114 | ||||
| 651 | D | 28.5 | Very low | 30.9 | Very low | 107 Ų | 107 | 127.5 Ų | 127.5 | 57% | 0.572 | 73% | 0.727 | S | S | * | * | cis | -162.4 | 171.4 | -21.1 | -152.1 | -5.9 | 0 | 0 | 0 | 112 | ||||
| 652 | Q | 26.6 | Very low | 31 | Very low | 144 Ų | 144 | 129.8 Ų | 129.8 | 67% | 0.673 | 73% | 0.733 | S | S | * | * | trans | 35.9 | 129.6 | 144.3 | -87.4 | 175.2 | 87.3 | 0 | 0 | 123.5 | ||||
| 653 | T | 27.5 | Very low | 31.1 | Very low | 105 Ų | 105 | 130.7 Ų | 130.7 | 64% | 0.644 | 74% | 0.739 | S | S | * | * | trans | 88.3 | 135.3 | 133.8 | 59.7 | 0 | 0 | 0 | 0 | 123.1 | ||||
| 654 | N | 29.8 | Very low | 31.1 | Very low | 132 Ų | 132 | 128.9 Ų | 128.9 | 71% | 0.706 | 73% | 0.734 | S | S | * | * | trans | 63.6 | 142.7 | 146.3 | -57.1 | -14.8 | 0 | 0 | 0 | 119.7 | ||||
| 655 | H | 30.9 | Very low | 30.9 | Very low | 173 Ų | 173 | 129.6 Ų | 129.6 | 80% | 0.801 | 74% | 0.743 | S | S | * | * | cis | -165.2 | 170.6 | -25.4 | -116.2 | -55.5 | 0 | 0 | 0 | 106.5 | ||||
| 656 | P | 36.3 | Very low | 30.9 | Very low | 99 Ų | 99 | 126.4 Ų | 126.4 | 64% | 0.643 | 74% | 0.738 | S | S | * | * | trans | -106.2 | 167.5 | -156.2 | 40.4 | -39.8 | 0 | 0 | 0 | 117.5 | ||||
| 657 | S | 31.5 | Very low | 30.7 | Very low | 114 Ų | 114 | 126 Ų | 126 | 80% | 0.797 | 74% | 0.736 | S | S | * | * | trans | -163.7 | 121.1 | 143.8 | -76.6 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 658 | T | 29.2 | Very low | 30.4 | Very low | 122 Ų | 122 | 125.9 Ų | 125.9 | 75% | 0.748 | 74% | 0.738 | S | S | * | * | 75.2 | 113.4 | 56.7 | -52.4 | 0 | 0 | 0 | 0 | 113.4 | |||||
| 659 | V | 32.9 | Very low | 30.3 | Very low | 129 Ų | 129 | 126 Ų | 126 | 78% | 0.782 | 74% | 0.738 | S | S | * | * | 174.1 | 124.4 | 128.2 | 153.8 | 0 | 0 | 0 | 0 | 112.5 | |||||
| 660 | N | 30.1 | Very low | 30.3 | Very low | 144 Ų | 144 | 127.8 Ų | 127.8 | 77% | 0.77 | 74% | 0.743 | S | S | * | * | trans | 7.3 | 140.1 | 161.3 | -59.6 | -17.5 | 0 | 0 | 0 | 124.6 | ||||
| 661 | P | 35.8 | Very low | 30.2 | Very low | 114 Ų | 114 | 124.1 Ų | 124.1 | 74% | 0.74 | 74% | 0.74 | S | S | * | * | trans | -98 | 158.4 | 147.6 | 38.4 | -31.5 | 0 | 0 | 0 | 112.9 | ||||
| 662 | N | 31.4 | Very low | 30.3 | Very low | 156 Ų | 156 | 126 Ų | 126 | 83% | 0.834 | 75% | 0.749 | S | S | * | * | trans | -177.9 | 175.9 | 147.9 | -112.4 | -50.4 | 0 | 0 | 0 | 113.6 | ||||
| 663 | V | 31.9 | Very low | 30.6 | Very low | 137 Ų | 137 | 126 Ų | 126 | 83% | 0.83 | 75% | 0.752 | S | S | * | * | trans | 79.6 | 137.4 | 172.3 | -171.1 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 664 | V | 29.8 | Very low | 30.9 | Very low | 111 Ų | 111 | 126.2 Ų | 126.2 | 67% | 0.673 | 76% | 0.755 | S | S | * | * | cis | 173.9 | 145.1 | -44.5 | 142.7 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 665 | S | 28.9 | Very low | 31.1 | Very low | 112 Ų | 112 | 125.9 Ų | 125.9 | 78% | 0.783 | 76% | 0.763 | S | S | * | * | trans | 64.8 | 147.4 | 166.6 | -71.9 | 0 | 0 | 0 | 0 | 117.5 | ||||
| 666 | S | 29.9 | Very low | 30.9 | Very low | 96 Ų | 96 | 129 Ų | 129 | 67% | 0.671 | 77% | 0.768 | S | S | * | * | cis | 178.7 | 168.5 | 6.5 | 43.6 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 667 | T | 30.5 | Very low | 30.7 | Very low | 120 Ų | 120 | 129.2 Ų | 129.2 | 74% | 0.736 | 77% | 0.772 | S | S | * | * | trans | 65.9 | 103.5 | 154.6 | 46 | 0 | 0 | 0 | 0 | 122.3 | ||||
| 668 | S | 28.5 | Very low | 30.5 | Very low | 109 Ų | 109 | 129.7 Ų | 129.7 | 76% | 0.762 | 77% | 0.77 | S | S | * | * | 46.4 | 121.7 | 118.4 | -44.6 | 0 | 0 | 0 | 0 | 119.9 | |||||
| 669 | S | 31.1 | Very low | 30.6 | Very low | 111 Ų | 111 | 129 Ų | 129 | 78% | 0.776 | 77% | 0.771 | S | S | * | * | -180 | 142.7 | 77.7 | -66.6 | 0 | 0 | 0 | 0 | 114.5 | |||||
| 670 | L | 26.6 | Very low | 30.2 | Very low | 160 Ų | 160 | 128.1 Ų | 128.1 | 84% | 0.838 | 77% | 0.77 | S | S | * | * | trans | 24.3 | 144.7 | 145.4 | -69.2 | 164.6 | 0 | 0 | 0 | 123.8 | ||||
| 671 | C | 26.6 | Very low | 30.2 | Very low | 111 Ų | 111 | 129 Ų | 129 | 75% | 0.75 | 77% | 0.773 | S | S | * | * | trans | 73.9 | 148.5 | 157.2 | -66.7 | 0 | 0 | 0 | 0 | 117.7 | ||||
| 672 | L | 30.7 | Very low | 29.7 | Very low | 146 Ų | 146 | 129.7 Ų | 129.7 | 76% | 0.764 | 78% | 0.775 | S | S | * | * | cis | -153.9 | 156.2 | -3.4 | -113.7 | 162.4 | 0 | 0 | 0 | 112.4 | ||||
| 673 | I | 31.8 | Very low | 29.7 | Very low | 145 Ų | 145 | 128.7 Ų | 128.7 | 74% | 0.744 | 77% | 0.774 | S | S | * | * | trans | -39.8 | 157 | 166.1 | -57 | 161.7 | 0 | 0 | 0 | 114.9 | ||||
| 674 | P | 35.2 | Very low | 29.6 | Very low | 109 Ų | 109 | 127.1 Ų | 127.1 | 71% | 0.708 | 77% | 0.765 | S | S | * | * | cis | -134.4 | -173.6 | -25.8 | 40.5 | -23.7 | 0 | 0 | 0 | 114.4 | ||||
| 675 | S | 34 | Very low | 29.6 | Very low | 125 Ų | 125 | 128.2 Ų | 128.2 | 87% | 0.874 | 77% | 0.767 | S | S | * | * | -176.4 | 167.2 | 128.5 | -88.6 | 0 | 0 | 0 | 0 | 115.2 | |||||
| 676 | R | 27 | Very low | 29.7 | Very low | 238 Ų | 238 | 126.9 Ų | 126.9 | 90% | 0.898 | 76% | 0.758 | S | S | * | * | trans | -93.9 | 145.7 | 175.4 | -71.1 | 170.4 | 160.4 | -176 | -6.2 | 112 | ||||
| 677 | S | 31.8 | Very low | 29.6 | Very low | 105 Ų | 105 | 129.2 Ų | 129.2 | 73% | 0.734 | 76% | 0.763 | S | S | * | * | trans | 165 | 111.2 | 140.4 | -76.8 | 0 | 0 | 0 | 0 | 107.7 | ||||
| 678 | T | 27.1 | Very low | 29.4 | Very low | 123 Ų | 123 | 128.8 Ų | 128.8 | 76% | 0.755 | 77% | 0.765 | S | S | * | * | 65.8 | 140.2 | 84.3 | 58.1 | 0 | 0 | 0 | 0 | 115.3 | |||||
| 679 | S | 30.2 | Very low | 29.3 | Very low | 109 Ų | 109 | 130.7 Ų | 130.7 | 76% | 0.762 | 77% | 0.765 | S | S | * | * | trans | 61.8 | 127.7 | -162.5 | 66.5 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 680 | S | 25.3 | Very low | 29.2 | Very low | 109 Ų | 109 | 131.9 Ų | 131.9 | 76% | 0.762 | 76% | 0.762 | S | S | * | * | cis | 78.6 | 94.9 | 29.4 | 86.8 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 681 | I | 30 | Very low | 29.4 | Very low | 164 Ų | 164 | 129.6 Ų | 129.6 | 84% | 0.841 | 76% | 0.755 | S | S | * | * | trans | -149.7 | 143.9 | 133.2 | -103.4 | 152.6 | 0 | 0 | 0 | 107.2 | ||||
| 682 | V | 26.3 | Very low | 29.6 | Very low | 128 Ų | 128 | 130.5 Ų | 130.5 | 78% | 0.776 | 75% | 0.752 | S | S | * | * | trans | -96.2 | 134.2 | 173.6 | 173.1 | 0 | 0 | 0 | 0 | 107.8 | T684 | V682-T684 HydrophobicContact CG1-CG2 4.33Š| ||
| 683 | T | 31.4 | Very low | 29.7 | Very low | 134 Ų | 134 | 129 Ų | 129 | 82% | 0.822 | 75% | 0.754 | S | S | * | * | trans | -140.3 | 140.4 | 150 | 4.8 | 0 | 0 | 0 | 0 | 107.6 | ||||
| 684 | T | 28.1 | Very low | 29.8 | Very low | 104 Ų | 104 | 126.9 Ų | 126.9 | 64% | 0.638 | 75% | 0.748 | S | S | * | * | trans | -94.4 | -176 | -171.3 | 39.7 | 0 | 0 | 0 | 0 | 111.4 | V682 | V682-T684 HydrophobicContact CG1-CG2 4.33Š| ||
| 685 | D | 30.9 | Very low | 29.8 | Very low | 135 Ų | 135 | 128.1 Ų | 128.1 | 72% | 0.722 | 75% | 0.754 | S | S | * | * | trans | 87.6 | 144.3 | 153 | -60.9 | -61.4 | 0 | 0 | 0 | 119.7 | ||||
| 686 | S | 29.8 | Very low | 29.6 | Very low | 84 Ų | 84 | 127 Ų | 127 | 59% | 0.587 | 75% | 0.745 | S | S | * | * | cis | -171 | 130.7 | -30.5 | -108.8 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 687 | N | 27.8 | Very low | 29.8 | Very low | 144 Ų | 144 | 122.3 Ų | 122.3 | 77% | 0.77 | 74% | 0.737 | S | S | * | * | trans | 53.2 | 145.4 | 157.3 | -62.9 | -34.2 | 0 | 0 | 0 | 121.4 | ||||
| 688 | S | 27 | Very low | 29.9 | Very low | 111 Ų | 111 | 125.4 Ų | 125.4 | 78% | 0.776 | 74% | 0.74 | S | S | * | * | trans | 73.5 | 154.9 | 148.8 | 86.5 | 0 | 0 | 0 | 0 | 117.9 | ||||
| 689 | I | 27 | Very low | 30.2 | Very low | 150 Ų | 150 | 123.8 Ų | 123.8 | 77% | 0.769 | 73% | 0.734 | S | S | * | * | cis | -150.4 | 171.4 | -18.2 | -120 | 168.9 | 0 | 0 | 0 | 110.4 | ||||
| 690 | L | 27.9 | Very low | 30.4 | Very low | 136 Ų | 136 | 125.6 Ų | 125.6 | 71% | 0.712 | 74% | 0.735 | S | S | * | * | trans | -42.8 | 159.9 | -175.8 | -74.9 | 74.3 | 0 | 0 | 0 | 120.5 | ||||
| 691 | T | 32.2 | Very low | 30.7 | Very low | 112 Ų | 112 | 128.5 Ų | 128.5 | 69% | 0.687 | 73% | 0.734 | S | S | * | * | trans | 93.3 | 154.3 | 130.5 | 42 | 0 | 0 | 0 | 0 | 124.7 | ||||
| 692 | N | 30.8 | Very low | 30.9 | Very low | 130 Ų | 130 | 126.8 Ų | 126.8 | 70% | 0.695 | 73% | 0.725 | S | S | * | * | trans | 89.4 | 144.1 | 161.7 | -54 | -47.1 | 0 | 0 | 0 | 115.9 | ||||
| 693 | S | 31.9 | Very low | 31.2 | Very low | 114 Ų | 114 | 127.5 Ų | 127.5 | 80% | 0.797 | 72% | 0.721 | S | S | * | * | cis | -146.9 | 176.3 | 28.2 | -60.2 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 694 | T | 34.4 | Very low | 31.4 | Very low | 100 Ų | 100 | 127 Ų | 127 | 61% | 0.613 | 71% | 0.714 | S | S | * | * | cis | 172.2 | 142.7 | -34.3 | -75.7 | 0 | 0 | 0 | 0 | 107.2 | ||||
| 695 | T | 34 | Very low | 31.7 | Very low | 136 Ų | 136 | 128.7 Ų | 128.7 | 83% | 0.834 | 72% | 0.724 | S | S | * | * | trans | 148.1 | 142.8 | 144.2 | 42.1 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 696 | S | 30.1 | Very low | 31.8 | Very low | 100 Ų | 100 | 125.5 Ų | 125.5 | 70% | 0.699 | 72% | 0.723 | S | S | * | * | cis | -158.9 | 149.1 | -19.1 | -171.3 | 0 | 0 | 0 | 0 | 105.7 | ||||
| 697 | I | 32.6 | Very low | 32 | Very low | 141 Ų | 141 | 127.8 Ų | 127.8 | 72% | 0.723 | 73% | 0.727 | S | S | * | * | -176.4 | 127.8 | 87.6 | -86 | 171.5 | 0 | 0 | 0 | 109.3 | |||||
| 698 | Q | 33.3 | Very low | 32.2 | Very low | 169 Ų | 169 | 125.4 Ų | 125.4 | 79% | 0.79 | 72% | 0.718 | S | S | * | * | trans | 28.7 | 119 | 145.7 | -80.3 | 173.9 | -40.3 | 0 | 0 | 122.4 | ||||
| 699 | S | 34.2 | Very low | 32.6 | Very low | 90 Ų | 90 | 125 Ų | 125 | 63% | 0.629 | 71% | 0.711 | S | S | * | * | 150.2 | 123.7 | 89.4 | -93.7 | 0 | 0 | 0 | 0 | 116.9 | |||||
| 700 | N | 32.5 | Very low | 32.8 | Very low | 147 Ų | 147 | 125.3 Ų | 125.3 | 79% | 0.786 | 71% | 0.714 | S | S | * | * | trans | 62.4 | 147.9 | 141 | -66.3 | -28.3 | 0 | 0 | 0 | 122.2 | ||||
| 701 | K | 33.3 | Very low | 33 | Very low | 170 Ų | 170 | 124.9 Ų | 124.9 | 74% | 0.739 | 72% | 0.717 | S | S | * | * | cis | -175 | 165.1 | -20.9 | -160.4 | -177.5 | 178.1 | -178.5 | 0 | 109.5 | ||||
| 702 | I | 33.2 | Very low | 33 | Very low | 128 Ų | 128 | 125.1 Ų | 125.1 | 66% | 0.656 | 72% | 0.719 | S | S | * | * | trans | 80 | 101.8 | 162.9 | -53.7 | -172.8 | 0 | 0 | 0 | 115.2 | ||||
| 703 | M | 33.8 | Very low | 32.9 | Very low | 142 Ų | 142 | 124.6 Ų | 124.6 | 70% | 0.7 | 72% | 0.721 | S | S | * | * | 73.7 | 145.2 | 87.9 | -69.5 | -172.8 | -100.9 | 0 | 0 | 115.3 | |||||
| 704 | N | 34.2 | Very low | 32.8 | Very low | 125 Ų | 125 | 125 Ų | 125 | 67% | 0.668 | 72% | 0.718 | S | S | * | * | cis | -165.9 | 157 | -4.4 | -110 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 705 | T | 35.2 | Very low | 32.7 | Very low | 139 Ų | 139 | 127.2 Ų | 127.2 | 85% | 0.853 | 73% | 0.732 | S | S | * | * | trans | 49.8 | 144.2 | 151.6 | 55.5 | 0 | 0 | 0 | 0 | 121.4 | ||||
| 706 | G | 33.1 | Very low | 32.4 | Very low | 68 Ų | 68 | 124.8 Ų | 124.8 | 70% | 0.701 | 73% | 0.726 | S | S | * | * | cis | 168 | -169.4 | 1.8 | 0 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 707 | I | 33.1 | Very low | 32.4 | Very low | 131 Ų | 131 | 126.3 Ų | 126.3 | 67% | 0.672 | 73% | 0.731 | S | S | * | * | trans | 91.2 | 117.2 | 167.6 | -58.4 | 178.7 | 0 | 0 | 0 | 117.3 | L886 Q887 | I707-L886 HydrophobicContact CG2-CD2 3.92Å; I707-Q887 VanDerWaalsContact C-OE1 3.27Å; I707-Q887 HydrophobicContact CG2-CB 4.07Å; I707-Q887 HydrophobicContact CG2-CG 4.28Å | ||
| 708 | T | 32.6 | Very low | 32.2 | Very low | 94 Ų | 94 | 125.3 Ų | 125.3 | 58% | 0.577 | 73% | 0.732 | S | S | * | * | trans | -86.2 | 179.6 | -172.2 | -22.2 | 0 | 0 | 0 | 0 | 117.8 | Q887 | T708-Q887 VanDerWaalsContact C-OE1 3.26Å; T708-Q887 PolarHBondContact O-OE1 2.8Å; T708-Q887 PolarHBondContact OG1-NE2 3.23Å; T708-Q887 PolarHBondContact OG1-OE1 3.09Å | ||
| 709 | T | 35.7 | Very low | 32 | Very low | 103 Ų | 103 | 123.1 Ų | 123.1 | 63% | 0.632 | 73% | 0.73 | S | S | * | * | trans | -166.6 | 173.9 | 138.5 | 5.1 | 0 | 0 | 0 | 0 | 114.8 | Q887 | T709-Q887 HydrophobicContact CG2-CB 4.22Š| ||
| 710 | N | 31.8 | Very low | 32 | Very low | 156 Ų | 156 | 124.5 Ų | 124.5 | 83% | 0.834 | 73% | 0.734 | S | S | * | * | trans | -92.1 | 171.1 | -159.5 | -65.4 | -19.6 | 0 | 0 | 0 | 117.8 | ||||
| 711 | T | 31.9 | Very low | 31.8 | Very low | 127 Ų | 127 | 124.4 Ų | 124.4 | 78% | 0.779 | 73% | 0.734 | S | S | * | * | trans | -88.8 | 175.5 | 169.2 | 39.2 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 712 | T | 31 | Very low | 31.8 | Very low | 117 Ų | 117 | 121.4 Ų | 121.4 | 72% | 0.718 | 73% | 0.73 | S | S | * | * | trans | 126.1 | 97.3 | 139.5 | -52.3 | 0 | 0 | 0 | 0 | 118 | ||||
| 713 | T | 30.1 | Very low | 31.7 | Very low | 119 Ų | 119 | 120.8 Ų | 120.8 | 73% | 0.73 | 73% | 0.733 | S | S | * | * | 78.5 | 117.4 | 128.6 | -57.4 | 0 | 0 | 0 | 0 | 124 | |||||
| 714 | T | 29.4 | Very low | 31.6 | Very low | 122 Ų | 122 | 121 Ų | 121 | 75% | 0.748 | 73% | 0.734 | S | S | * | * | trans | 47.4 | 120.9 | 136.7 | -53.3 | 0 | 0 | 0 | 0 | 122.8 | ||||
| 715 | T | 31.5 | Very low | 31.6 | Very low | 147 Ų | 147 | 121.9 Ų | 121.9 | 90% | 0.902 | 74% | 0.743 | S | S | * | * | -157.5 | 170 | 122.1 | -6 | 0 | 0 | 0 | 0 | 111.8 | |||||
| 716 | A | 27.7 | Very low | 31.7 | Very low | 86 Ų | 86 | 120.7 Ų | 120.7 | 71% | 0.711 | 74% | 0.738 | S | S | * | * | trans | -133.1 | 134.2 | -179 | 0 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 717 | T | 30.6 | Very low | 31.8 | Very low | 131 Ų | 131 | 121.7 Ų | 121.7 | 80% | 0.804 | 74% | 0.74 | S | S | * | * | trans | -177.2 | 119.2 | 156.9 | 13.4 | 0 | 0 | 0 | 0 | 106 | ||||
| 718 | T | 28.2 | Very low | 31.7 | Very low | 121 Ų | 121 | 122.2 Ų | 122.2 | 74% | 0.742 | 74% | 0.744 | S | S | * | * | 87.6 | 144.6 | 79.9 | -58.3 | 0 | 0 | 0 | 0 | 113.2 | |||||
| 719 | T | 30 | Very low | 31.9 | Very low | 123 Ų | 123 | 125.6 Ų | 125.6 | 76% | 0.755 | 75% | 0.753 | S | S | * | * | trans | 86 | 118.3 | 163.6 | 10.6 | 0 | 0 | 0 | 0 | 121.3 | ||||
| 720 | V | 33.2 | Very low | 31.8 | Very low | 118 Ų | 118 | 127 Ų | 127 | 72% | 0.715 | 76% | 0.757 | S | S | * | * | trans | 50.6 | 106.6 | 148.6 | -69.8 | 0 | 0 | 0 | 0 | 123.9 | ||||
| 721 | N | 29.4 | Very low | 31.9 | Very low | 146 Ų | 146 | 127.1 Ų | 127.1 | 78% | 0.781 | 75% | 0.752 | S | S | * | * | 55.6 | 124.5 | 103.5 | -71 | 21.6 | 0 | 0 | 0 | 123.7 | |||||
| 722 | T | 32.5 | Very low | 31.7 | Very low | 107 Ų | 107 | 127.4 Ų | 127.4 | 66% | 0.656 | 75% | 0.749 | S | S | * | * | 86 | 92.8 | 127 | -54.4 | 0 | 0 | 0 | 0 | 121.1 | |||||
| 723 | T | 31.7 | Very low | 31.6 | Very low | 115 Ų | 115 | 128.7 Ų | 128.7 | 71% | 0.706 | 75% | 0.751 | S | S | * | * | 36.9 | 132.6 | 111.7 | -28.4 | 0 | 0 | 0 | 0 | 121.2 | |||||
| 724 | M | 30.6 | Very low | 31.6 | Very low | 147 Ų | 147 | 129.8 Ų | 129.8 | 72% | 0.724 | 76% | 0.757 | S | S | * | * | 169.9 | 128.6 | 121.6 | -93.3 | -61 | 154.7 | 0 | 0 | 114.3 | |||||
| 725 | T | 33.5 | Very low | 31.8 | Very low | 142 Ų | 142 | 127.1 Ų | 127.1 | 87% | 0.871 | 75% | 0.754 | S | S | * | * | trans | 177.3 | 153.4 | 134 | 22.9 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 726 | P | 38.3 | Very low | 31.8 | Very low | 115 Ų | 115 | 128.7 Ų | 128.7 | 75% | 0.747 | 75% | 0.752 | S | S | * | * | trans | -139.8 | 162.6 | -157.5 | 41.4 | -22 | 0 | 0 | 0 | 120.2 | ||||
| 727 | A | 34.7 | Very low | 32 | Very low | 89 Ų | 89 | 131.4 Ų | 131.4 | 74% | 0.736 | 75% | 0.754 | S | S | * | * | trans | 77.6 | 140 | 139.4 | 0 | 0 | 0 | 0 | 0 | 125.8 | ||||
| 728 | N | 32.4 | Very low | 31.9 | Very low | 142 Ų | 142 | 131 Ų | 131 | 76% | 0.759 | 75% | 0.752 | S | S | * | * | trans | 100.7 | 128.3 | 140.2 | -80.5 | -6.4 | 0 | 0 | 0 | 125.2 | ||||
| 729 | H | 36.7 | Very low | 32 | Very low | 165 Ų | 165 | 133.8 Ų | 133.8 | 76% | 0.764 | 76% | 0.756 | S | S | * | * | trans | 67.6 | 162 | 147.7 | -73.7 | -7.2 | 0 | 0 | 0 | 121.5 | ||||
| 730 | N | 32.1 | Very low | 32.7 | Very low | 133 Ų | 133 | 132.9 Ų | 132.9 | 71% | 0.711 | 76% | 0.755 | S | S | * | * | cis | -170.8 | 170.6 | -40.9 | -152.6 | -6.4 | 0 | 0 | 0 | 110.8 | ||||
| 731 | Q | 33.7 | Very low | 32.5 | Very low | 157 Ų | 157 | 134.1 Ų | 134.1 | 73% | 0.734 | 76% | 0.757 | S | S | * | * | trans | 83.9 | 119.5 | 162.1 | -57.4 | -171.5 | 9.7 | 0 | 0 | 124.3 | ||||
| 732 | N | 29.2 | Very low | 32.4 | Very low | 133 Ų | 133 | 133.4 Ų | 133.4 | 71% | 0.711 | 75% | 0.752 | S | S | * | * | 57.2 | 135.3 | 117.9 | -53.1 | -10.9 | 0 | 0 | 0 | 127.6 | |||||
| 733 | N | 29.3 | Very low | 32.3 | Very low | 144 Ų | 144 | 135.4 Ų | 135.4 | 77% | 0.77 | 76% | 0.756 | S | S | * | * | trans | 87.5 | 115.3 | 134.8 | -80.2 | 0.2 | 0 | 0 | 0 | 126.1 | ||||
| 734 | V | 29.7 | Very low | 32.2 | Very low | 142 Ų | 142 | 136.4 Ų | 136.4 | 86% | 0.861 | 76% | 0.762 | S | S | * | * | 62.4 | 121.9 | 127.1 | -176.7 | 0 | 0 | 0 | 0 | 122.3 | |||||
| 735 | G | 32.2 | Very low | 32.1 | Very low | 66 Ų | 66 | 133.3 Ų | 133.3 | 68% | 0.68 | 76% | 0.76 | S | S | * | * | trans | 133.3 | 113.3 | 131.5 | 0 | 0 | 0 | 0 | 0 | 119.9 | ||||
| 736 | Q | 32.8 | Very low | 31.9 | Very low | 181 Ų | 181 | 132.2 Ų | 132.2 | 85% | 0.846 | 75% | 0.748 | S | S | * | * | trans | 45.7 | 108.8 | 148.9 | -65.4 | -179.5 | -2.3 | 0 | 0 | 119.4 | ||||
| 737 | N | 31.2 | Very low | 31.6 | Very low | 143 Ų | 143 | 133.7 Ų | 133.7 | 77% | 0.765 | 74% | 0.743 | S | S | * | * | 80.6 | 120.8 | 85.6 | -75 | -0.1 | 0 | 0 | 0 | 116 | |||||
| 738 | T | 27.9 | Very low | 31.3 | Very low | 123 Ų | 123 | 137.3 Ų | 137.3 | 76% | 0.755 | 75% | 0.745 | S | S | * | * | S | Bend | trans | 55.4 | 124.2 | 154 | 47.2 | 0 | 0 | 0 | 0 | 118.8 | ||
| 739 | E | 30.8 | Very low | 31.2 | Very low | 178 Ų | 178 | 135.6 Ų | 135.6 | 83% | 0.832 | 74% | 0.744 | S | S | * | * | cis | -139.2 | 68.5 | -0.5 | -87.7 | 167.7 | 173.3 | 0 | 0 | 108.6 | ||||
| 740 | S | 43.9 | Very low | 31 | Very low | 105 Ų | 105 | 134.7 Ų | 134.7 | 73% | 0.734 | 74% | 0.743 | S | S | * | * | trans | -92.1 | 133.3 | -169.1 | 57.1 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 741 | L | 29.2 | Very low | 30.9 | Very low | 143 Ų | 143 | 135.2 Ų | 135.2 | 75% | 0.749 | 74% | 0.742 | S | S | * | * | 56.3 | 140 | 61 | -81.5 | 84.4 | 0 | 0 | 0 | 113.4 | |||||
| 742 | L | 28.5 | Very low | 30.7 | Very low | 131 Ų | 131 | 133.4 Ų | 133.4 | 69% | 0.686 | 74% | 0.737 | S | S | * | * | cis | -165.2 | 171.4 | -21.3 | -157.6 | 65.1 | 0 | 0 | 0 | 107.8 | ||||
| 743 | M | 30.3 | Very low | 30.8 | Very low | 150 Ų | 150 | 135.1 Ų | 135.1 | 74% | 0.739 | 74% | 0.74 | S | S | * | * | trans | 32.5 | 136.2 | 144.2 | -88 | 174.6 | -178.7 | 0 | 0 | 121.7 | ||||
| 744 | T | 28.9 | Very low | 30.9 | Very low | 136 Ų | 136 | 134.3 Ų | 134.3 | 83% | 0.834 | 74% | 0.735 | S | S | * | * | trans | 64.4 | 164.4 | 145.3 | 57.1 | 0 | 0 | 0 | 0 | 117.9 | ||||
| 745 | A | 29.6 | Very low | 30.9 | Very low | 81 Ų | 81 | 133.8 Ų | 133.8 | 67% | 0.669 | 73% | 0.728 | S | S | * | * | cis | -167.9 | 174.7 | -37.9 | 0 | 0 | 0 | 0 | 0 | 107.4 | ||||
| 746 | D | 28.6 | Very low | 31 | Very low | 119 Ų | 119 | 138.3 Ų | 138.3 | 64% | 0.636 | 73% | 0.729 | S | S | * | * | trans | 38.7 | 125.7 | 137.8 | -88.3 | -19.1 | 0 | 0 | 0 | 122.4 | ||||
| 747 | K | 31.8 | Very low | 31 | Very low | 146 Ų | 146 | 134.5 Ų | 134.5 | 64% | 0.635 | 72% | 0.718 | S | S | * | * | 66.7 | 125.2 | 123.2 | -65.3 | 168.7 | -170.7 | 141.9 | 0 | 121.8 | |||||
| 748 | Q | 28 | Very low | 31 | Very low | 166 Ų | 166 | 135.9 Ų | 135.9 | 78% | 0.776 | 72% | 0.72 | S | S | * | * | 71.1 | 159.4 | 127.1 | -64.4 | 171.4 | -42.1 | 0 | 0 | 119.4 | |||||
| 749 | S | 30.6 | Very low | 31.3 | Very low | 106 Ų | 106 | 134.2 Ų | 134.2 | 74% | 0.741 | 71% | 0.713 | S | S | * | * | trans | 72.3 | 152.2 | 157.1 | -64.1 | 0 | 0 | 0 | 0 | 116.7 | ||||
| 750 | I | 33.5 | Very low | 31.4 | Very low | 146 Ų | 146 | 132.3 Ų | 132.3 | 75% | 0.749 | 71% | 0.707 | S | S | * | * | cis | -147.9 | 171.2 | -12 | -123.9 | 164.8 | 0 | 0 | 0 | 111.1 | ||||
| 751 | E | 29.3 | Very low | 30.7 | Very low | 144 Ų | 144 | 133.3 Ų | 133.3 | 67% | 0.673 | 70% | 0.704 | S | S | * | * | trans | -52.9 | 163.8 | 176.2 | -44 | 164.4 | 87.9 | 0 | 0 | 117 | ||||
| 752 | N | 28.4 | Very low | 30.7 | Very low | 118 Ų | 118 | 132.8 Ų | 132.8 | 63% | 0.631 | 70% | 0.702 | S | S | * | * | trans | 69.5 | 140.7 | 140.9 | -64.9 | -32.6 | 0 | 0 | 0 | 121.3 | ||||
| 753 | H | 32.7 | Very low | 30.8 | Very low | 169 Ų | 169 | 130.6 Ų | 130.6 | 78% | 0.782 | 70% | 0.703 | S | S | * | * | trans | 67 | 152.8 | 154.1 | -69.6 | -41.2 | 0 | 0 | 0 | 118.5 | ||||
| 754 | L | 30.9 | Very low | 30.7 | Very low | 128 Ų | 128 | 130.3 Ų | 130.3 | 67% | 0.67 | 70% | 0.7 | S | S | * | * | cis | -171.7 | 145.2 | -25.5 | -174.3 | 77.8 | 0 | 0 | 0 | 106.5 | ||||
| 755 | N | 30.1 | Very low | 30.6 | Very low | 131 Ų | 131 | 128.9 Ų | 128.9 | 70% | 0.701 | 69% | 0.687 | S | S | * | * | trans | 67.6 | 154.6 | 155.9 | -90.8 | -12.3 | 0 | 0 | 0 | 117 | ||||
| 756 | K | 33.4 | Very low | 30.7 | Very low | 161 Ų | 161 | 126.6 Ų | 126.6 | 70% | 0.7 | 67% | 0.666 | S | S | * | * | cis | -168.7 | 144.5 | -12.4 | -152.6 | -171.6 | 178.6 | -174.3 | 0 | 109.5 | ||||
| 757 | T | 32.9 | Very low | 30.8 | Very low | 101 Ų | 101 | 126.7 Ų | 126.7 | 62% | 0.62 | 67% | 0.665 | S | S | * | * | trans | 54.3 | 155.9 | 151 | 42.1 | 0 | 0 | 0 | 0 | 119.1 | ||||
| 758 | Q | 32.4 | Very low | 30.6 | Very low | 171 Ų | 171 | 126.8 Ų | 126.8 | 80% | 0.799 | 67% | 0.673 | S | S | * | * | cis | -149.3 | 164.5 | -3.9 | -125.4 | 143.8 | -18.8 | 0 | 0 | 105 | ||||
| 759 | S | 33.5 | Very low | 30.6 | Very low | 89 Ų | 89 | 124 Ų | 124 | 62% | 0.622 | 67% | 0.672 | S | S | * | * | 178.8 | 140.7 | 61.1 | -159.1 | 0 | 0 | 0 | 0 | 111.4 | |||||
| 760 | I | 32.3 | Very low | 30.4 | Very low | 138 Ų | 138 | 124.8 Ų | 124.8 | 71% | 0.708 | 67% | 0.672 | S | S | * | * | trans | 58.4 | 95.8 | 141.6 | -67.4 | 174.1 | 0 | 0 | 0 | 117.1 | ||||
| 761 | N | 29.4 | Very low | 30.2 | Very low | 126 Ų | 126 | 126.4 Ų | 126.4 | 67% | 0.674 | 67% | 0.673 | S | S | * | * | 99.3 | 151.9 | 89.5 | -83 | 32.3 | 0 | 0 | 0 | 111 | |||||
| 762 | D | 30.4 | Very low | 30.1 | Very low | 132 Ų | 132 | 124.4 Ų | 124.4 | 71% | 0.706 | 67% | 0.671 | S | S | * | * | cis | -156.4 | 156.6 | -1.1 | -101.3 | -31.8 | 0 | 0 | 0 | 110.2 | ||||
| 763 | A | 29.3 | Very low | 30.2 | Very low | 84 Ų | 84 | 126 Ų | 126 | 69% | 0.694 | 68% | 0.678 | S | S | * | * | trans | 45.7 | 166.4 | 135.7 | 0 | 0 | 0 | 0 | 0 | 122.9 | ||||
| 764 | Q | 28.7 | Very low | 30.1 | Very low | 145 Ų | 145 | 124.9 Ų | 124.9 | 68% | 0.678 | 67% | 0.673 | S | S | * | * | cis | -172 | 160.9 | -21.7 | -104.7 | 172.6 | -1 | 0 | 0 | 110.1 | S1143 | Q764-S1143 WeakPolarHBondContact O-CB 3.47Š| ||
| 765 | N | 27.1 | Very low | 30.2 | Very low | 105 Ų | 105 | 126 Ų | 126 | 56% | 0.561 | 67% | 0.673 | S | S | * | * | trans | 44.5 | 106.2 | 146.9 | -59.8 | -20.5 | 0 | 0 | 0 | 122.9 | T1142 | N765-T1142 CarbonylContact C-O 3.24Å; N765-T1142 VanDerWaalsContact C-O 3.24Å; N765-T1142 WeakPolarHBondContact CA-O 3.22Å; N765-T1142 PolarHBondContact N-O 3.19Å | ||
| 766 | S | 31.4 | Very low | 30.2 | Very low | 33 Ų | 33 | 126.2 Ų | 126.2 | 23% | 0.231 | 67% | 0.669 | C | S | . | * | trans | 176.3 | 124.7 | 144.9 | -83.8 | 0 | 0 | 0 | 0 | 112.9 | T1142 S1143 | S766-T1142 PolarHBondContact N-O 3.44Å; S766-T1142 CarbonylContact O-C 3.54Å; S766-T1142 VanDerWaalsContact O-C 3.32Å; S766-T1142 WeakPolarHBondContact O-CB 3.37Å; S766-S1143 WeakPolarHBondContact O-CA 3.21Å; S766-S1143 PolarHBondContact O-N 3.47Å | ||
| 767 | I | 31.4 | Very low | 30.2 | Very low | 121 Ų | 121 | 125.4 Ų | 125.4 | 62% | 0.621 | 67% | 0.668 | S | S | * | * | 65.5 | 108.7 | 71.9 | -61.5 | 163.5 | 0 | 0 | 0 | 111.5 | |||||
| 768 | N | 26.1 | Very low | 29.9 | Very low | 149 Ų | 149 | 129.7 Ų | 129.7 | 80% | 0.797 | 68% | 0.681 | S | S | * | * | 62.7 | 93.7 | 69 | -88.4 | -9.2 | 0 | 0 | 0 | 116.3 | |||||
| 769 | S | 28.8 | Very low | 30 | Very low | 108 Ų | 108 | 128.2 Ų | 128.2 | 76% | 0.755 | 67% | 0.672 | S | S | * | * | trans | -158.6 | 129.2 | 156.4 | -126.4 | 0 | 0 | 0 | 0 | 107.3 | ||||
| 770 | V | 27 | Very low | 29.9 | Very low | 122 Ų | 122 | 129.3 Ų | 129.3 | 74% | 0.739 | 67% | 0.671 | S | S | * | * | cis | 59.9 | 104.7 | 10.3 | -170.5 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 771 | K | 28.6 | Very low | 30 | Very low | 179 Ų | 179 | 129.3 Ų | 129.3 | 78% | 0.778 | 67% | 0.671 | S | S | * | * | trans | 177.4 | 117.3 | 135.1 | -97.5 | 167.9 | -179.1 | 176.7 | 0 | 108.9 | ||||
| 772 | T | 27.4 | Very low | 30 | Very low | 103 Ų | 103 | 129.6 Ų | 129.6 | 63% | 0.632 | 67% | 0.673 | S | S | * | * | 88.9 | 128.3 | 106.7 | -58.4 | 0 | 0 | 0 | 0 | 110.7 | |||||
| 773 | I | 29.5 | Very low | 30.2 | Very low | 152 Ų | 152 | 127.8 Ų | 127.8 | 78% | 0.779 | 67% | 0.671 | S | S | * | * | -148.6 | 119.4 | 84.3 | -84.7 | 164.1 | 0 | 0 | 0 | 110 | |||||
| 774 | H | 31.4 | Very low | 30.7 | Very low | 144 Ų | 144 | 129.2 Ų | 129.2 | 67% | 0.667 | 67% | 0.672 | S | S | * | * | trans | 45.5 | 145.5 | 137.4 | -64.1 | -73.9 | 0 | 0 | 0 | 120.4 | ||||
| 775 | K | 32.2 | Very low | 30.7 | Very low | 153 Ų | 153 | 128.8 Ų | 128.8 | 67% | 0.665 | 67% | 0.674 | S | S | * | * | cis | -168.2 | 169.8 | 11.9 | -108.5 | 158.5 | 166.8 | -109.1 | 0 | 105.5 | ||||
| 776 | E | 31.2 | Very low | 30.8 | Very low | 134 Ų | 134 | 130.3 Ų | 130.3 | 63% | 0.626 | 68% | 0.682 | S | S | * | * | cis | -151.4 | 123.9 | -0.2 | -135.9 | 131.4 | -161.7 | 0 | 0 | 105.3 | ||||
| 777 | H | 33.3 | Very low | 30.8 | Very low | 145 Ų | 145 | 134.9 Ų | 134.9 | 67% | 0.671 | 70% | 0.703 | S | S | * | * | 80 | 86.3 | 93.3 | -154.3 | -25.2 | 0 | 0 | 0 | 114.6 | |||||
| 778 | E | 26.4 | Very low | 30.6 | Very low | 191 Ų | 191 | 138.2 Ų | 138.2 | 89% | 0.893 | 71% | 0.71 | S | S | * | * | trans | -70.8 | 160.5 | 158.1 | -171.1 | 172.5 | -138.9 | 0 | 0 | 110.3 | ||||
| 779 | K | 34.3 | Very low | 30.8 | Very low | 140 Ų | 140 | 137.5 Ų | 137.5 | 61% | 0.609 | 70% | 0.704 | S | S | * | * | trans | -150.7 | 137.9 | -174.9 | -111.8 | 176.8 | 157.8 | -82.5 | 0 | 112.7 | ||||
| 780 | D | 31.8 | Very low | 31 | Very low | 112 Ų | 112 | 139.6 Ų | 139.6 | 60% | 0.599 | 70% | 0.702 | S | S | * | * | trans | 64.4 | 122.3 | 142.1 | -58.1 | -17.3 | 0 | 0 | 0 | 117.3 | ||||
| 781 | L | 34.2 | Very low | 31.2 | Very low | 138 Ų | 138 | 138.6 Ų | 138.6 | 72% | 0.723 | 70% | 0.701 | S | S | * | * | cis | -160.8 | 155.6 | 13.5 | -87.7 | 138.4 | 0 | 0 | 0 | 113 | ||||
| 782 | N | 30.4 | Very low | 31.3 | Very low | 131 Ų | 131 | 134.4 Ų | 134.4 | 70% | 0.701 | 69% | 0.694 | S | S | * | * | trans | 51.8 | 114.7 | 143.7 | -59.8 | -5.1 | 0 | 0 | 0 | 121.4 | ||||
| 783 | S | 33.4 | Very low | 31.5 | Very low | 95 Ų | 95 | 137 Ų | 137 | 66% | 0.664 | 70% | 0.704 | S | S | * | * | 65 | 157.2 | 62.6 | 84.3 | 0 | 0 | 0 | 0 | 116.2 | |||||
| 784 | P | 39.5 | Very low | 31.6 | Very low | 113 Ų | 113 | 135.1 Ų | 135.1 | 73% | 0.734 | 70% | 0.704 | S | S | * | * | cis | -119.4 | -124.4 | -4.8 | 19.9 | 7.9 | 0 | 0 | 0 | 110.9 | ||||
| 785 | L | 29.8 | Very low | 32.1 | Very low | 136 Ų | 136 | 133.7 Ų | 133.7 | 71% | 0.712 | 71% | 0.707 | S | S | * | * | cis | -165.9 | 112.7 | -3.1 | -171.4 | 67.8 | 0 | 0 | 0 | 113.9 | ||||
| 786 | L | 28.9 | Very low | 32 | Very low | 137 Ų | 137 | 131.1 Ų | 131.1 | 72% | 0.717 | 71% | 0.709 | S | S | * | * | trans | 56.2 | 172.9 | 151.5 | -62.3 | 175.4 | 0 | 0 | 0 | 119.4 | ||||
| 787 | D | 30.6 | Very low | 32.2 | Very low | 129 Ų | 129 | 131 Ų | 131 | 69% | 0.69 | 72% | 0.717 | S | S | * | * | cis | -132.1 | 147 | -6.8 | -100 | -44.2 | 0 | 0 | 0 | 107.5 | ||||
| 788 | Y | 26.8 | Very low | 32.3 | Very low | 192 Ų | 192 | 128 Ų | 128 | 75% | 0.753 | 72% | 0.717 | S | S | * | * | 83.9 | 151.5 | 62 | -135.1 | -85.4 | 0 | 0 | 0 | 115.3 | |||||
| 789 | I | 30.8 | Very low | 32.9 | Very low | 134 Ų | 134 | 124.1 Ų | 124.1 | 69% | 0.687 | 71% | 0.709 | S | S | * | * | trans | 94.4 | 104.3 | 170 | -51.3 | 178.8 | 0 | 0 | 0 | 119.3 | ||||
| 790 | H | 32.5 | Very low | 33 | Very low | 151 Ų | 151 | 122.4 Ų | 122.4 | 70% | 0.699 | 72% | 0.715 | S | S | * | * | trans | 24.5 | 143.9 | 133.6 | -38.4 | 162.5 | 0 | 0 | 0 | 120 | ||||
| 791 | S | 32.2 | Very low | 33.3 | Very low | 102 Ų | 102 | 122.8 Ų | 122.8 | 71% | 0.713 | 73% | 0.726 | S | S | * | * | -171 | 126 | 58 | -58.8 | 0 | 0 | 0 | 0 | 109.7 | |||||
| 792 | S | 30.4 | Very low | 33.5 | Very low | 91 Ų | 91 | 121.4 Ų | 121.4 | 64% | 0.636 | 73% | 0.726 | S | S | * | * | 44.9 | 106.1 | 86.4 | 72.4 | 0 | 0 | 0 | 0 | 116.8 | |||||
| 793 | N | 32.2 | Very low | 33.6 | Very low | 157 Ų | 157 | 123.1 Ų | 123.1 | 84% | 0.84 | 73% | 0.733 | S | S | * | * | 178.7 | 145.3 | 105.2 | -89 | -25.8 | 0 | 0 | 0 | 115.4 | |||||
| 794 | S | 32.2 | Very low | 33.6 | Very low | 112 Ų | 112 | 122.3 Ų | 122.3 | 78% | 0.783 | 74% | 0.74 | S | S | * | * | trans | -87.5 | -165.3 | 163.1 | -40.7 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 795 | P | 41.4 | Very low | 33.2 | Very low | 114 Ų | 114 | 121 Ų | 121 | 74% | 0.74 | 75% | 0.746 | S | S | * | * | cis | -136.5 | -168.5 | -6.4 | 41.8 | -22.9 | 0 | 0 | 0 | 114.4 | ||||
| 796 | S | 30.8 | Very low | 33.3 | Very low | 99 Ų | 99 | 117.7 Ų | 117.7 | 69% | 0.692 | 75% | 0.746 | S | S | * | * | trans | 47.7 | 126.5 | 142.3 | -164.1 | 0 | 0 | 0 | 0 | 120.3 | ||||
| 797 | T | 34.4 | Very low | 33.3 | Very low | 131 Ų | 131 | 117.2 Ų | 117.2 | 80% | 0.804 | 75% | 0.748 | S | S | * | * | 179 | 157.5 | 81.4 | -51.1 | 0 | 0 | 0 | 0 | 110 | |||||
| 798 | A | 34.7 | Very low | 33.3 | Very low | 82 Ų | 82 | 119.4 Ų | 119.4 | 68% | 0.678 | 75% | 0.754 | S | S | * | * | trans | -77.6 | -169.6 | 166.2 | 0 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 799 | P | 40.4 | Very low | 33.4 | Very low | 111 Ų | 111 | 115.4 Ų | 115.4 | 72% | 0.721 | 75% | 0.754 | S | S | * | * | cis | -143.3 | -171.7 | 6.4 | 40.1 | -17.6 | 0 | 0 | 0 | 117.1 | ||||
| 800 | S | 35.6 | Very low | 33.4 | Very low | 104 Ų | 104 | 116 Ų | 116 | 73% | 0.727 | 76% | 0.758 | S | S | * | * | trans | 59.8 | 115.3 | 148.7 | 58.9 | 0 | 0 | 0 | 0 | 120.9 | ||||
| 801 | S | 37.5 | Very low | 33.2 | Very low | 120 Ų | 120 | 118.9 Ų | 118.9 | 84% | 0.839 | 76% | 0.762 | S | S | * | * | trans | -66 | 158.4 | 160.6 | -35.1 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 802 | P | 38.7 | Very low | 33.4 | Very low | 109 Ų | 109 | 122.8 Ų | 122.8 | 71% | 0.708 | 77% | 0.766 | S | S | * | * | trans | -141.5 | 144.1 | 131.4 | 35.1 | -21 | 0 | 0 | 0 | 115.8 | ||||
| 803 | I | 34 | Very low | 33.5 | Very low | 166 Ų | 166 | 127.2 Ų | 127.2 | 85% | 0.851 | 77% | 0.774 | S | S | * | * | trans | 52.4 | 118.6 | 134.1 | -54.3 | 168.7 | 0 | 0 | 0 | 119.5 | ||||
| 804 | G | 32.8 | Very low | 33.6 | Very low | 79 Ų | 79 | 123.9 Ų | 123.9 | 81% | 0.814 | 76% | 0.762 | S | S | * | * | trans | 84.9 | 163.8 | 148 | 0 | 0 | 0 | 0 | 0 | 116.9 | ||||
| 805 | G | 31.2 | Very low | 33.7 | Very low | 84 Ų | 84 | 125.7 Ų | 125.7 | 87% | 0.866 | 76% | 0.763 | S | S | * | * | cis | 160.7 | 45.3 | 1.2 | 0 | 0 | 0 | 0 | 0 | 116.1 | ||||
| 806 | G | 30.8 | Very low | 33.4 | Very low | 68 Ų | 68 | 124.5 Ų | 124.5 | 70% | 0.701 | 76% | 0.757 | S | S | * | * | trans | 112.8 | 153.1 | 156 | 0 | 0 | 0 | 0 | 0 | 119.5 | ||||
| 807 | V | 29.5 | Very low | 33.5 | Very low | 126 Ų | 126 | 127.3 Ų | 127.3 | 76% | 0.764 | 76% | 0.764 | S | S | * | * | trans | 66.4 | 99.3 | 138.7 | -168.7 | 0 | 0 | 0 | 0 | 119.3 | ||||
| 808 | Q | 30.4 | Very low | 33.5 | Very low | 175 Ų | 175 | 124.5 Ų | 124.5 | 82% | 0.818 | 75% | 0.753 | S | S | * | * | trans | 72 | 108.1 | 140.6 | -64.2 | 179.4 | 42.8 | 0 | 0 | 122.5 | ||||
| 809 | S | 28.7 | Very low | 33.7 | Very low | 108 Ų | 108 | 129 Ų | 129 | 76% | 0.755 | 76% | 0.76 | S | S | * | * | 80.4 | 164.5 | 112.6 | -155.2 | 0 | 0 | 0 | 0 | 121 | |||||
| 810 | I | 30.3 | Very low | 33.4 | Very low | 148 Ų | 148 | 128.3 Ų | 128.3 | 76% | 0.759 | 76% | 0.758 | S | S | * | * | trans | 77.7 | 136.7 | 168.2 | -60.6 | 174.9 | 0 | 0 | 0 | 116.6 | ||||
| 811 | R | 30 | Very low | 33.3 | Very low | 211 Ų | 211 | 128.4 Ų | 128.4 | 80% | 0.796 | 76% | 0.759 | S | S | * | * | cis | 179.8 | 167.7 | -20.6 | -162.7 | 176.1 | -169.5 | 174.4 | 4.1 | 109.7 | ||||
| 812 | K | 35 | Very low | 33 | Very low | 183 Ų | 183 | 127.5 Ų | 127.5 | 80% | 0.796 | 75% | 0.752 | S | S | * | * | trans | 86.9 | 148.3 | 162.5 | -54.1 | 162.2 | -173.3 | 170.6 | 0 | 114.3 | ||||
| 813 | K | 32.9 | Very low | 33.1 | Very low | 185 Ų | 185 | 128.1 Ų | 128.1 | 80% | 0.804 | 76% | 0.756 | S | S | * | * | cis | -155.3 | 161 | -10.1 | -117.6 | -175.6 | 163.5 | -162.9 | 0 | 106.6 | ||||
| 814 | C | 34.8 | Very low | 33.1 | Very low | 87 Ų | 87 | 126 Ų | 126 | 59% | 0.588 | 75% | 0.753 | S | S | * | * | cis | -132 | -152.3 | 16.2 | -132.3 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 815 | N | 34.6 | Very low | 32.7 | Very low | 150 Ų | 150 | 130 Ų | 130 | 80% | 0.802 | 76% | 0.756 | S | S | * | * | cis | -135 | -92.2 | 1.9 | -157.1 | 27.7 | 0 | 0 | 0 | 114.8 | ||||
| 816 | S | 33.8 | Very low | 32.6 | Very low | 88 Ų | 88 | 135.2 Ų | 135.2 | 62% | 0.615 | 75% | 0.754 | S | S | * | * | trans | -162.2 | 162.6 | -163.6 | -150.5 | 0 | 0 | 0 | 0 | 107.6 | ||||
| 817 | L | 33 | Very low | 32.5 | Very low | 159 Ų | 159 | 136.9 Ų | 136.9 | 83% | 0.832 | 76% | 0.755 | S | S | * | * | cis | -106.1 | 131.7 | 4.4 | -75.2 | 76.9 | 0 | 0 | 0 | 109.6 | ||||
| 818 | A | 35.1 | Very low | 32.6 | Very low | 71 Ų | 71 | 139.1 Ų | 139.1 | 59% | 0.587 | 76% | 0.757 | S | S | * | * | 65.5 | 130 | 82.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | |||||
| 819 | H | 37.9 | Very low | 32.4 | Very low | 176 Ų | 176 | 135.8 Ų | 135.8 | 82% | 0.815 | 75% | 0.753 | S | S | * | * | cis | -144.8 | 172.3 | 29.7 | -105.5 | -82.4 | 0 | 0 | 0 | 115.6 | ||||
| 820 | S | 34 | Very low | 32.5 | Very low | 97 Ų | 97 | 139.3 Ų | 139.3 | 68% | 0.678 | 76% | 0.755 | S | S | * | * | trans | -22.9 | 159 | 154 | 34.2 | 0 | 0 | 0 | 0 | 118.8 | ||||
| 821 | S | 34.5 | Very low | 32.5 | Very low | 107 Ų | 107 | 140.2 Ų | 140.2 | 75% | 0.748 | 76% | 0.756 | S | S | * | * | cis | -171.8 | -177.9 | -1.5 | 49 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 822 | S | 32.1 | Very low | 32.4 | Very low | 100 Ų | 100 | 135.6 Ų | 135.6 | 70% | 0.699 | 75% | 0.752 | S | S | * | * | P | Polyproline II helix | trans | -54.6 | 155.5 | 155.5 | -40.8 | 0 | 0 | 0 | 0 | 112.8 | ||
| 823 | P | 39.3 | Very low | 32.1 | Very low | 122 Ų | 122 | 132.1 Ų | 132.1 | 79% | 0.792 | 75% | 0.745 | S | S | * | * | P | Polyproline II helix | trans | -98.2 | 125.7 | 141.6 | 32.6 | -27 | 0 | 0 | 0 | 110.2 | ||
| 824 | P | 33.5 | Very low | 32 | Very low | 122 Ų | 122 | 130.1 Ų | 130.1 | 79% | 0.792 | 74% | 0.74 | S | S | * | * | P | Polyproline II helix | trans | -82.1 | 172.9 | 174.1 | 34.7 | -35.4 | 0 | 0 | 0 | 112.5 | ||
| 825 | L | 25.3 | Very low | 31.9 | Very low | 164 Ų | 164 | 132.2 Ų | 132.2 | 86% | 0.859 | 74% | 0.741 | S | S | * | * | P | Polyproline II helix | trans | -65.6 | 160.6 | 169.6 | -70.4 | 146.3 | 0 | 0 | 0 | 112.4 | ||
| 826 | K | 29.2 | Very low | 31.8 | Very low | 192 Ų | 192 | 131.7 Ų | 131.7 | 84% | 0.835 | 73% | 0.734 | S | S | * | * | trans | 82.6 | 103.5 | 161.5 | -61.7 | -179.1 | 180 | 178 | 0 | 119.3 | ||||
| 827 | S | 27.9 | Very low | 31.6 | Very low | 103 Ų | 103 | 133.8 Ų | 133.8 | 72% | 0.72 | 74% | 0.738 | S | S | * | * | 94.5 | 155.7 | 111.4 | 77.9 | 0 | 0 | 0 | 0 | 120.7 | |||||
| 828 | Q | 31.4 | Very low | 31.5 | Very low | 173 Ų | 173 | 130.5 Ų | 130.5 | 81% | 0.808 | 73% | 0.729 | S | S | * | * | trans | 61.7 | 90.4 | 169.3 | -60.1 | -173.9 | 6.5 | 0 | 0 | 116 | ||||
| 829 | S | 27.4 | Very low | 31.5 | Very low | 105 Ų | 105 | 135 Ų | 135 | 73% | 0.734 | 74% | 0.735 | S | S | * | * | 77.3 | 114.5 | 66.2 | 75.6 | 0 | 0 | 0 | 0 | 115.1 | |||||
| 830 | K | 31 | Very low | 31.3 | Very low | 183 Ų | 183 | 131.9 Ų | 131.9 | 80% | 0.796 | 72% | 0.724 | S | S | * | * | trans | -167 | 136 | 138.5 | -110.3 | 167.1 | -174.1 | 176.6 | 0 | 110.3 | ||||
| 831 | Q | 29 | Very low | 31.3 | Very low | 167 Ų | 167 | 132.3 Ų | 132.3 | 78% | 0.78 | 72% | 0.722 | S | S | * | * | trans | 61.1 | 131.1 | 148.4 | -75.6 | 158.2 | -46.2 | 0 | 0 | 117.8 | ||||
| 832 | T | 29.1 | Very low | 31.2 | Very low | 114 Ų | 114 | 135 Ų | 135 | 70% | 0.699 | 72% | 0.724 | S | S | * | * | cis | -156.5 | 142 | 17 | -98.5 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 833 | V | 28.8 | Very low | 31.2 | Very low | 109 Ų | 109 | 135 Ų | 135 | 66% | 0.661 | 72% | 0.723 | S | S | * | * | trans | 62.4 | 100.1 | 160.3 | 165 | 0 | 0 | 0 | 0 | 117.1 | ||||
| 834 | M | 29.5 | Very low | 30.8 | Very low | 143 Ų | 143 | 138.5 Ų | 138.5 | 70% | 0.704 | 72% | 0.721 | S | S | * | * | 83.3 | 144.1 | 96.2 | -66.5 | -152.8 | -62.6 | 0 | 0 | 113.7 | |||||
| 835 | H | 33.8 | Very low | 30.9 | Very low | 132 Ų | 132 | 140 Ų | 140 | 61% | 0.611 | 72% | 0.717 | S | S | * | * | cis | -153 | 154.2 | -8.3 | -120 | -168.3 | 0 | 0 | 0 | 108.8 | ||||
| 836 | Q | 31.4 | Very low | 31.1 | Very low | 138 Ų | 138 | 137.3 Ų | 137.3 | 65% | 0.645 | 71% | 0.712 | S | S | * | * | 49.5 | 140.8 | 106.3 | -60 | -172.8 | 15.8 | 0 | 0 | 116.3 | |||||
| 837 | N | 29.9 | Very low | 31.5 | Very low | 132 Ų | 132 | 133.7 Ų | 133.7 | 71% | 0.706 | 71% | 0.708 | S | S | * | * | cis | -159.4 | 164 | 5.6 | -128.3 | -24.9 | 0 | 0 | 0 | 114.2 | ||||
| 838 | S | 32.1 | Very low | 31.7 | Very low | 90 Ų | 90 | 132.9 Ų | 132.9 | 63% | 0.629 | 71% | 0.707 | S | S | * | * | trans | 33.1 | 120.1 | 136.8 | -150.2 | 0 | 0 | 0 | 0 | 119.4 | ||||
| 839 | K | 34.9 | Very low | 31.9 | Very low | 167 Ų | 167 | 133.5 Ų | 133.5 | 73% | 0.726 | 71% | 0.71 | S | S | * | * | 169.6 | 170.8 | 97.8 | -87.6 | -167.9 | 156.1 | -66.1 | 0 | 108.6 | |||||
| 840 | D | 32.9 | Very low | 32.1 | Very low | 109 Ų | 109 | 133.3 Ų | 133.3 | 58% | 0.583 | 71% | 0.709 | S | S | * | * | cis | -168.1 | 160.6 | -14.1 | -103.9 | 1.4 | 0 | 0 | 0 | 105.8 | ||||
| 841 | V | 33.6 | Very low | 32.3 | Very low | 106 Ų | 106 | 129.5 Ų | 129.5 | 64% | 0.642 | 70% | 0.703 | S | S | * | * | cis | -162.1 | 145.2 | -29.3 | 95.5 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 842 | Q | 32.7 | Very low | 32.5 | Very low | 165 Ų | 165 | 128.3 Ų | 128.3 | 77% | 0.771 | 70% | 0.701 | S | S | * | * | trans | 40.6 | 115.3 | 156.2 | -67.4 | 174.5 | 21.2 | 0 | 0 | 121.2 | ||||
| 843 | S | 32.7 | Very low | 32.7 | Very low | 98 Ų | 98 | 128.6 Ų | 128.6 | 69% | 0.685 | 71% | 0.707 | S | S | * | * | 112.2 | 165.8 | 92.6 | 73.7 | 0 | 0 | 0 | 0 | 113.9 | |||||
| 844 | R | 32 | Very low | 33 | Very low | 197 Ų | 197 | 126.3 Ų | 126.3 | 74% | 0.743 | 71% | 0.706 | S | S | * | * | cis | -159.3 | 156.9 | -4.4 | -129.4 | 159.4 | -172.5 | -102.6 | 8.4 | 111.4 | ||||
| 845 | Q | 34.6 | Very low | 33.2 | Very low | 153 Ų | 153 | 127.4 Ų | 127.4 | 72% | 0.715 | 71% | 0.709 | S | S | * | * | trans | 66.2 | 121.8 | 145.9 | -81.1 | 162.8 | -73 | 0 | 0 | 123.6 | ||||
| 846 | S | 30 | Very low | 33.3 | Very low | 108 Ų | 108 | 129.4 Ų | 129.4 | 76% | 0.755 | 72% | 0.716 | S | S | * | * | trans | -68.9 | -171.8 | 147.2 | -23.2 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 847 | P | 38 | Very low | 33.5 | Very low | 116 Ų | 116 | 128 Ų | 128 | 75% | 0.753 | 72% | 0.721 | S | S | * | * | cis | -149.4 | -171.2 | 29.7 | 44.8 | -23.6 | 0 | 0 | 0 | 117.7 | ||||
| 848 | A | 31 | Very low | 33.7 | Very low | 85 Ų | 85 | 125.4 Ų | 125.4 | 70% | 0.702 | 73% | 0.726 | S | S | * | * | trans | 67.3 | 164.1 | 149.3 | 0 | 0 | 0 | 0 | 0 | 118 | ||||
| 849 | Q | 35.4 | Very low | 33.7 | Very low | 186 Ų | 186 | 126.1 Ų | 126.1 | 87% | 0.869 | 73% | 0.731 | S | S | * | * | cis | -149.5 | 167.7 | -1.4 | -139.6 | 153.7 | 21.1 | 0 | 0 | 111.6 | ||||
| 850 | S | 31.1 | Very low | 33.6 | Very low | 101 Ų | 101 | 124 Ų | 124 | 71% | 0.706 | 73% | 0.732 | S | S | * | * | trans | -82.1 | -169.6 | 177.9 | 57.2 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 851 | P | 36.6 | Very low | 33.6 | Very low | 104 Ų | 104 | 123.1 Ų | 123.1 | 68% | 0.675 | 73% | 0.734 | S | S | * | * | cis | -135.4 | -152.4 | -29.8 | 22.6 | 4.6 | 0 | 0 | 0 | 112.6 | ||||
| 852 | I | 33.7 | Very low | 33.6 | Very low | 142 Ų | 142 | 123.4 Ų | 123.4 | 73% | 0.728 | 74% | 0.741 | S | S | * | * | trans | 106.3 | 110 | 145.3 | -63.3 | 160.5 | 0 | 0 | 0 | 120.3 | ||||
| 853 | S | 32.7 | Very low | 34 | Very low | 119 Ų | 119 | 120.7 Ų | 120.7 | 83% | 0.832 | 74% | 0.738 | S | S | * | * | trans | 62.8 | 149.1 | 150.8 | 75.7 | 0 | 0 | 0 | 0 | 121.1 | ||||
| 854 | G | 34.2 | Very low | 33.9 | Very low | 62 Ų | 62 | 122.7 Ų | 122.7 | 64% | 0.639 | 74% | 0.741 | S | S | * | * | cis | 161.9 | 163.6 | -9.7 | 0 | 0 | 0 | 0 | 0 | 114 | ||||
| 855 | Q | 35.1 | Very low | 33.8 | Very low | 166 Ų | 166 | 119.4 Ų | 119.4 | 78% | 0.776 | 74% | 0.738 | S | S | * | * | trans | 67.5 | 148.7 | -178.6 | -54.7 | -173.2 | 59.3 | 0 | 0 | 114.1 | ||||
| 856 | K | 34.3 | Very low | 33.6 | Very low | 174 Ų | 174 | 118.5 Ų | 118.5 | 76% | 0.757 | 74% | 0.738 | S | S | * | * | cis | -162.7 | 157 | -12.9 | -104.2 | 167.3 | 179.4 | 158.1 | 0 | 104.8 | ||||
| 857 | S | 35.5 | Very low | 33.7 | Very low | 107 Ų | 107 | 120.6 Ų | 120.6 | 75% | 0.748 | 74% | 0.74 | S | S | * | * | cis | -169.8 | 134.2 | -4.9 | 42.4 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 858 | G | 34.1 | Very low | 33.4 | Very low | 78 Ų | 78 | 120.9 Ų | 120.9 | 80% | 0.804 | 74% | 0.735 | S | S | * | * | trans | 76.3 | 146.2 | 161.4 | 0 | 0 | 0 | 0 | 0 | 117.3 | ||||
| 859 | S | 33.3 | Very low | 33.4 | Very low | 106 Ų | 106 | 121.3 Ų | 121.3 | 74% | 0.741 | 73% | 0.729 | S | S | * | * | cis | -162.1 | 129.4 | -13.5 | 49.5 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 860 | T | 33.1 | Very low | 33.4 | Very low | 121 Ų | 121 | 118.8 Ų | 118.8 | 74% | 0.742 | 72% | 0.722 | S | S | * | * | trans | 38.2 | 108.9 | 144.8 | 54.3 | 0 | 0 | 0 | 0 | 119 | ||||
| 861 | S | 32.3 | Very low | 33.4 | Very low | 91 Ų | 91 | 119.4 Ų | 119.4 | 64% | 0.636 | 72% | 0.717 | S | S | * | * | 68.3 | 113.9 | 69.7 | 79.2 | 0 | 0 | 0 | 0 | 113.7 | |||||
| 862 | S | 33 | Very low | 33.4 | Very low | 112 Ų | 112 | 121.3 Ų | 121.3 | 78% | 0.783 | 72% | 0.72 | S | S | * | * | 81.6 | 172.3 | 91.9 | -55.8 | 0 | 0 | 0 | 0 | 113.2 | |||||
| 863 | P | 41.1 | Very low | 33.5 | Very low | 108 Ų | 108 | 119 Ų | 119 | 70% | 0.701 | 72% | 0.716 | S | S | * | * | -131.2 | 179.3 | -58.6 | 39.5 | -25.7 | 0 | 0 | 0 | 112.9 | |||||
| 864 | N | 30.4 | Very low | 33.7 | Very low | 140 Ų | 140 | 123.5 Ų | 123.5 | 75% | 0.749 | 72% | 0.715 | S | S | * | * | trans | 44.4 | 142.1 | 144 | -71 | 14.1 | 0 | 0 | 0 | 123.5 | ||||
| 865 | N | 31.3 | Very low | 33.8 | Very low | 129 Ų | 129 | 125.9 Ų | 125.9 | 69% | 0.69 | 71% | 0.71 | S | S | * | * | trans | 81.3 | 108.5 | 149 | -65 | 2.8 | 0 | 0 | 0 | 119.9 | ||||
| 866 | N | 29.8 | Very low | 33.9 | Very low | 133 Ų | 133 | 126 Ų | 126 | 71% | 0.711 | 71% | 0.707 | S | S | * | * | 82.4 | 136 | 122 | -67.9 | 10.3 | 0 | 0 | 0 | 121.5 | |||||
| 867 | L | 32.4 | Very low | 34 | Very low | 152 Ų | 152 | 122.2 Ų | 122.2 | 80% | 0.796 | 70% | 0.699 | S | S | * | * | trans | 79.7 | 99.3 | 146.5 | -69.5 | 161.1 | 0 | 0 | 0 | 119.6 | ||||
| 868 | N | 30.6 | Very low | 34.1 | Very low | 122 Ų | 122 | 125 Ų | 125 | 65% | 0.652 | 70% | 0.7 | S | S | * | * | 83.8 | 106.4 | 106.8 | -152.3 | 65.2 | 0 | 0 | 0 | 119.2 | |||||
| 869 | V | 32.4 | Very low | 34 | Very low | 94 Ų | 94 | 126.9 Ų | 126.9 | 57% | 0.57 | 70% | 0.696 | S | S | * | * | trans | 84.6 | 130.4 | 131.4 | 164.9 | 0 | 0 | 0 | 0 | 120.9 | ||||
| 870 | N | 33.7 | Very low | 34.2 | Very low | 134 Ų | 134 | 126.8 Ų | 126.8 | 72% | 0.717 | 69% | 0.691 | S | S | * | * | trans | 77.7 | 98 | 154.6 | -75.2 | -14.3 | 0 | 0 | 0 | 123.5 | ||||
| 871 | N | 32.4 | Very low | 34.3 | Very low | 113 Ų | 113 | 128.7 Ų | 128.7 | 60% | 0.604 | 70% | 0.696 | S | S | * | * | 78.4 | 155.1 | 103.1 | -146.5 | 4 | 0 | 0 | 0 | 121.7 | |||||
| 872 | I | 36.6 | Very low | 34.3 | Very low | 144 Ų | 144 | 127.3 Ų | 127.3 | 74% | 0.738 | 70% | 0.697 | S | S | * | * | trans | 95.5 | 115.9 | 156.4 | -57.7 | 168.7 | 0 | 0 | 0 | 121.2 | ||||
| 873 | S | 34.9 | Very low | 34.3 | Very low | 93 Ų | 93 | 129 Ų | 129 | 65% | 0.65 | 70% | 0.703 | S | S | * | * | trans | 87.7 | 132.1 | 143.5 | -76.2 | 0 | 0 | 0 | 0 | 125.8 | ||||
| 874 | R | 37.8 | Very low | 34 | Very low | 214 Ų | 214 | 127.9 Ų | 127.9 | 81% | 0.808 | 70% | 0.702 | S | S | * | * | trans | 73 | 149.1 | 134.1 | -78.2 | -179.8 | 150.5 | 131.1 | 0.8 | 120.7 | ||||
| 875 | E | 36.1 | Very low | 34.1 | Very low | 113 Ų | 113 | 128.2 Ų | 128.2 | 53% | 0.528 | 70% | 0.704 | S | S | . | * | cis | -166.1 | 153.4 | -18 | -137.6 | 179.7 | 107.7 | 0 | 0 | 109.8 | ||||
| 876 | K | 36.7 | Very low | 34.1 | Very low | 168 Ų | 168 | 127.5 Ų | 127.5 | 73% | 0.73 | 70% | 0.7 | S | S | * | * | trans | 61.2 | 152.6 | 149 | -85.7 | 176.6 | -178.2 | 143.4 | 0 | 121.5 | ||||
| 877 | T | 36.1 | Very low | 34.1 | Very low | 95 Ų | 95 | 124.5 Ų | 124.5 | 58% | 0.583 | 68% | 0.682 | S | S | * | * | cis | -170.4 | 157.5 | -22.6 | 12.2 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 878 | H | 36.9 | Very low | 34.3 | Very low | 166 Ų | 166 | 121.5 Ų | 121.5 | 77% | 0.769 | 67% | 0.671 | S | S | * | * | trans | 65.7 | 158.9 | 154.4 | -57.9 | -44.7 | 0 | 0 | 0 | 118.2 | ||||
| 879 | T | 33.7 | Very low | 34.2 | Very low | 116 Ų | 116 | 122.5 Ų | 122.5 | 71% | 0.712 | 68% | 0.677 | S | S | * | * | cis | -154.5 | 138.3 | 14.2 | -14.7 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 880 | T | 37.2 | Very low | 34.3 | Very low | 104 Ų | 104 | 125.2 Ų | 125.2 | 64% | 0.638 | 69% | 0.686 | S | S | * | * | trans | 57.5 | 129 | 142.2 | 53 | 0 | 0 | 0 | 0 | 125.7 | ||||
| 881 | N | 33.9 | Very low | 34.1 | Very low | 161 Ų | 161 | 126.4 Ų | 126.4 | 86% | 0.861 | 69% | 0.693 | S | S | * | * | 53.2 | 145.9 | 125.9 | -47.1 | -6.7 | 0 | 0 | 0 | 121.5 | |||||
| 882 | G | 33.4 | Very low | 34.1 | Very low | 63 Ų | 63 | 124.6 Ų | 124.6 | 65% | 0.649 | 70% | 0.7 | S | S | * | * | cis | 153.2 | 158.5 | -7.9 | 0 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 883 | T | 33.6 | Very low | 33.8 | Very low | 148 Ų | 148 | 126.5 Ų | 126.5 | 91% | 0.908 | 71% | 0.706 | S | S | * | * | trans | 81.9 | 143 | 162.2 | -3.7 | 0 | 0 | 0 | 0 | 121.7 | ||||
| 884 | A | 34.9 | Very low | 33.6 | Very low | 83 Ų | 83 | 127.6 Ų | 127.6 | 69% | 0.686 | 71% | 0.709 | S | S | * | * | trans | 79.7 | 100.2 | 144.7 | 0 | 0 | 0 | 0 | 0 | 123.1 | ||||
| 885 | N | 30.9 | Very low | 33.3 | Very low | 147 Ų | 147 | 123.9 Ų | 123.9 | 79% | 0.786 | 70% | 0.704 | S | S | * | * | 54.5 | 125.6 | 118.6 | -70.4 | 6 | 0 | 0 | 0 | 124.3 | |||||
| 886 | L | 32.8 | Very low | 33.1 | Very low | 114 Ų | 114 | 126.3 Ų | 126.3 | 60% | 0.597 | 71% | 0.713 | S | S | * | * | trans | 65.1 | 105.4 | 134.1 | -55.5 | 171.6 | 0 | 0 | 0 | 120.9 | I707 | I707-L886 HydrophobicContact CG2-CD2 3.92Š| ||
| 887 | Q | 28.5 | Very low | 33 | Very low | 71 Ų | 71 | 127 Ų | 127 | 33% | 0.332 | 71% | 0.712 | S | S | . | * | 48.1 | 151.6 | 119 | -172.4 | 176.5 | 1.3 | 0 | 0 | 121.8 | I707 T708 T709 | I707-Q887 VanDerWaalsContact C-OE1 3.27Å; I707-Q887 HydrophobicContact CG2-CB 4.07Å; I707-Q887 HydrophobicContact CG2-CG 4.28Å; T708-Q887 VanDerWaalsContact C-OE1 3.26Å; T708-Q887 PolarHBondContact O-OE1 2.8Å; T708-Q887 PolarHBondContact OG1-NE2 3.23Å; T708-Q887 PolarHBondContact OG1-OE1 3.09Å; T709-Q887 HydrophobicContact CG2-CB 4.22Å | |||
| 888 | P | 37.4 | Very low | 32.9 | Very low | 89 Ų | 89 | 126.8 Ų | 126.8 | 58% | 0.578 | 71% | 0.714 | S | S | * | * | cis | -131.9 | -175.5 | -4.7 | 27.9 | -5 | 0 | 0 | 0 | 116.9 | ||||
| 889 | D | 29 | Very low | 32.8 | Very low | 143 Ų | 143 | 124.9 Ų | 124.9 | 77% | 0.765 | 72% | 0.715 | S | S | * | * | trans | 78.4 | 156.9 | 130.8 | -87.5 | -39.1 | 0 | 0 | 0 | 123.7 | ||||
| 890 | I | 34.2 | Very low | 32.7 | Very low | 150 Ų | 150 | 124.8 Ų | 124.8 | 77% | 0.769 | 71% | 0.709 | S | S | * | * | trans | 59.7 | 126.8 | 166.7 | -8.7 | 177.8 | 0 | 0 | 0 | 121.2 | ||||
| 891 | N | 29.9 | Very low | 32.6 | Very low | 160 Ų | 160 | 125.1 Ų | 125.1 | 86% | 0.856 | 70% | 0.703 | S | S | * | * | trans | -19.8 | 135.4 | 159.4 | -52.9 | -28.6 | 0 | 0 | 0 | 118.4 | ||||
| 892 | G | 31.3 | Very low | 32.5 | Very low | 74 Ų | 74 | 121.6 Ų | 121.6 | 76% | 0.763 | 68% | 0.684 | S | S | * | * | trans | -176.4 | 88.2 | 166.2 | 0 | 0 | 0 | 0 | 0 | 118.4 | ||||
| 893 | Q | 31.6 | Very low | 32.8 | Very low | 184 Ų | 184 | 123.9 Ų | 123.9 | 86% | 0.86 | 69% | 0.688 | S | S | * | * | trans | 38.6 | 117.4 | 141.7 | -73.1 | -170.6 | 2.4 | 0 | 0 | 123.6 | ||||
| 894 | T | 29.4 | Very low | 32.7 | Very low | 116 Ų | 116 | 128 Ų | 128 | 71% | 0.712 | 69% | 0.687 | S | S | * | * | 88.2 | 158.7 | 122.1 | -51.5 | 0 | 0 | 0 | 0 | 120.8 | |||||
| 895 | I | 32.5 | Very low | 32.6 | Very low | 136 Ų | 136 | 131.3 Ų | 131.3 | 70% | 0.697 | 69% | 0.692 | S | S | * | * | trans | 79.2 | 101.5 | 176.8 | -45 | -174.6 | 0 | 0 | 0 | 113.1 | Y897 | I895-Y897 HydrophobicContact CG2-CE2 4.21Š| ||
| 896 | K | 31.4 | Very low | 32.6 | Very low | 164 Ų | 164 | 130.1 Ų | 130.1 | 71% | 0.713 | 68% | 0.68 | S | S | * | * | 67.8 | 141.7 | 69.5 | -61.3 | 179.4 | 179.3 | 178.5 | 0 | 112.7 | |||||
| 897 | Y | 33.5 | Very low | 32.6 | Very low | 183 Ų | 183 | 128.5 Ų | 128.5 | 72% | 0.718 | 68% | 0.678 | S | S | * | * | cis | -141.5 | 140.1 | 28.8 | -73.8 | -94 | 0 | 0 | 0 | 111.2 | I895 | I895-Y897 HydrophobicContact CG2-CE2 4.21Š| ||
| 898 | S | 35.2 | Very low | 32.4 | Very low | 90 Ų | 90 | 133 Ų | 133 | 63% | 0.629 | 70% | 0.699 | S | S | * | * | 67.4 | 136.2 | 92.8 | -44.8 | 0 | 0 | 0 | 0 | 114.8 | |||||
| 899 | T | 33.9 | Very low | 32.1 | Very low | 127 Ų | 127 | 136.9 Ų | 136.9 | 78% | 0.779 | 71% | 0.713 | S | S | * | * | -168.3 | 115.1 | 59.6 | -60.6 | 0 | 0 | 0 | 0 | 109.1 | |||||
| 900 | L | 33.2 | Very low | 31.9 | Very low | 113 Ų | 113 | 139.3 Ų | 139.3 | 59% | 0.592 | 71% | 0.712 | S | S | * | * | 78.5 | 158.5 | 92.3 | -96.1 | 73.8 | 0 | 0 | 0 | 115.6 | Y633 | Y633-L900 HydrophobicContact CE2-CD2 4.42Å; Y633-L900 VanDerWaalsContact OH-CG 3.31Å; Y633-L900 WeakPolarHBondContact OH-CG 3.49Å | |||
| 901 | E | 33.1 | Very low | 31.6 | Very low | 111 Ų | 111 | 141.2 Ų | 141.2 | 52% | 0.519 | 72% | 0.715 | S | S | . | * | cis | -156.5 | -178.6 | -4.7 | -137.9 | -167.2 | -146.8 | 0 | 0 | 106.5 | N632 Y633 | N632-E901 PolarHBondContact ND2-OE1 3.43Å; N632-E901 VanDerWaalsContact ND2-OE1 3.11Å; Y633-E901 HydrophobicContact CE2-CG 3.93Å; Y633-E901 WeakPolarHBondContact CE2-OE1 3.42Å | ||
| 902 | N | 33.5 | Very low | 31.7 | Very low | 87 Ų | 87 | 139.7 Ų | 139.7 | 47% | 0.465 | 71% | 0.713 | S | S | . | * | cis | -163.3 | 142.3 | -9.4 | -154.7 | -20.2 | 0 | 0 | 0 | 109.1 | N632 | N632-N902 PolarHBondContact OD1-ND2 3.45Š| ||
| 903 | P | 38.9 | Very low | 31.4 | Very low | 111 Ų | 111 | 146.9 Ų | 146.9 | 72% | 0.721 | 72% | 0.717 | S | S | * | * | trans | -109.9 | 162.3 | 178.1 | 38.6 | -33 | 0 | 0 | 0 | 117.2 | ||||
| 904 | R | 31.1 | Very low | 31.5 | Very low | 234 Ų | 234 | 145.8 Ų | 145.8 | 88% | 0.883 | 72% | 0.716 | S | S | * | * | trans | 67.1 | 116.6 | 161.2 | -80.2 | -177.8 | 167.2 | 171.2 | -3.5 | 121.7 | ||||
| 905 | L | 33.7 | Very low | 31.5 | Very low | 153 Ų | 153 | 146.9 Ų | 146.9 | 80% | 0.801 | 72% | 0.718 | S | S | * | * | trans | 53.9 | 117.2 | 135.5 | -72.8 | 164.4 | 0 | 0 | 0 | 122.3 | ||||
| 906 | K | 30.8 | Very low | 31.6 | Very low | 123 Ų | 123 | 143.9 Ų | 143.9 | 54% | 0.535 | 72% | 0.721 | S | S | . | * | 178.1 | 163 | 120.4 | -99.8 | 169.5 | -164.5 | 170 | 0 | 115 | P628 T629 | P628-K906 HydrophobicContact CB-CD 4.31Å; P628-K906 PolarHBondContact O-NZ 3.16Å; T629-K906 VanDerWaalsContact N-NZ 3.11Å; T629-K906 VanDerWaalsContact O-CD 3.26Å; T629-K906 WeakPolarHBondContact O-CD 3.17Å; T629-K906 PolarHBondContact O-NZ 3.26Å | |||
| 907 | S | 31.7 | Very low | 31.6 | Very low | 79 Ų | 79 | 143.8 Ų | 143.8 | 55% | 0.552 | 73% | 0.727 | S | S | * | * | trans | 56.5 | 108.2 | 152.5 | 54.1 | 0 | 0 | 0 | 0 | 122.9 | ||||
| 908 | E | 26 | Very low | 31.6 | Very low | 166 Ų | 166 | 143.4 Ų | 143.4 | 78% | 0.776 | 73% | 0.729 | S | S | * | * | 5.4 | 129.1 | 124.1 | -175 | -173.6 | 164.9 | 0 | 0 | 119.2 | |||||
| 909 | I | 30.3 | Very low | 31.5 | Very low | 171 Ų | 171 | 145 Ų | 145 | 88% | 0.877 | 74% | 0.735 | S | S | * | * | trans | -148.6 | 158.7 | 156.9 | -105.1 | 160.2 | 0 | 0 | 0 | 110.1 | ||||
| 910 | R | 24.5 | Very low | 31.5 | Very low | 193 Ų | 193 | 144.1 Ų | 144.1 | 73% | 0.728 | 73% | 0.729 | S | S | * | * | trans | -103.3 | 160.8 | -166.2 | -74.7 | 175.9 | 157.8 | 118.7 | -7.9 | 115.1 | ||||
| 911 | K | 27.5 | Very low | 31.4 | Very low | 191 Ų | 191 | 144.7 Ų | 144.7 | 83% | 0.83 | 73% | 0.733 | S | S | * | * | trans | 74.8 | 162.2 | 148.3 | -84.7 | 169.5 | -177.7 | -178.5 | 0 | 115.8 | ||||
| 912 | P | 33.6 | Very low | 31.3 | Very low | 127 Ų | 127 | 145.6 Ų | 145.6 | 83% | 0.825 | 74% | 0.742 | S | S | * | * | cis | -126.1 | -173 | 25.9 | 43.4 | -28.5 | 0 | 0 | 0 | 117.8 | ||||
| 913 | R | 24.4 | Very low | 31.2 | Very low | 225 Ų | 225 | 147.7 Ų | 147.7 | 85% | 0.849 | 75% | 0.751 | S | S | * | * | trans | -71.5 | 156.9 | 170.2 | -65.7 | 168.5 | 149.1 | 134 | -10.1 | 111.7 | ||||
| 914 | L | 34.2 | Very low | 30.9 | Very low | 161 Ų | 161 | 147.6 Ų | 147.6 | 84% | 0.843 | 75% | 0.749 | S | S | * | * | -157.2 | 159.7 | 116.7 | -144.9 | 59 | 0 | 0 | 0 | 112.6 | |||||
| 915 | D | 29 | Very low | 30.7 | Very low | 140 Ų | 140 | 142.6 Ų | 142.6 | 75% | 0.749 | 75% | 0.748 | S | S | * | * | trans | -75.8 | 165.9 | -153.8 | -44.5 | -59.6 | 0 | 0 | 0 | 117.4 | ||||
| 916 | G | 33.6 | Very low | 30.6 | Very low | 73 Ų | 73 | 139.1 Ų | 139.1 | 75% | 0.753 | 75% | 0.75 | S | S | * | * | trans | 175.2 | 53.1 | 177.7 | 0 | 0 | 0 | 0 | 0 | 119.6 | ||||
| 917 | L | 31.4 | Very low | 30.5 | Very low | 161 Ų | 161 | 139 Ų | 139 | 84% | 0.843 | 76% | 0.764 | S | S | * | * | trans | 18.6 | 112.3 | 150.4 | -73.9 | 163.4 | 0 | 0 | 0 | 117.8 | ||||
| 918 | K | 34.8 | Very low | 30.8 | Very low | 176 Ų | 176 | 141 Ų | 141 | 77% | 0.765 | 78% | 0.775 | S | S | * | * | -176.9 | 138.1 | 69.2 | -105.9 | 164.3 | -178.6 | -179.8 | 0 | 110.2 | |||||
| 919 | T | 32.6 | Very low | 31.1 | Very low | 124 Ų | 124 | 136.8 Ų | 136.8 | 76% | 0.761 | 77% | 0.769 | S | S | * | * | 66.9 | 121.6 | 104.8 | -54.7 | 0 | 0 | 0 | 0 | 114.4 | |||||
| 920 | V | 33.6 | Very low | 31 | Very low | 107 Ų | 107 | 136.3 Ų | 136.3 | 65% | 0.648 | 77% | 0.767 | S | S | * | * | cis | -159.7 | 155.3 | 1.2 | 109.6 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 921 | D | 31.3 | Very low | 31.4 | Very low | 126 Ų | 126 | 133.1 Ų | 133.1 | 67% | 0.674 | 77% | 0.769 | S | S | * | * | trans | 20 | 155.1 | 147.4 | -33.2 | -26.4 | 0 | 0 | 0 | 121.7 | ||||
| 922 | N | 30.7 | Very low | 31.6 | Very low | 130 Ų | 130 | 128.8 Ų | 128.8 | 70% | 0.695 | 76% | 0.763 | S | S | * | * | cis | -165.9 | 174 | 12.1 | -139.1 | -18.2 | 0 | 0 | 0 | 114 | ||||
| 923 | I | 32.7 | Very low | 31.6 | Very low | 130 Ų | 130 | 128 Ų | 128 | 67% | 0.667 | 76% | 0.76 | S | S | * | * | trans | 66.2 | 103.7 | 142 | -77.5 | 161.2 | 0 | 0 | 0 | 120.5 | ||||
| 924 | T | 30.7 | Very low | 32.1 | Very low | 110 Ų | 110 | 121.9 Ų | 121.9 | 68% | 0.675 | 75% | 0.752 | S | S | * | * | 80.7 | 111 | 116.5 | -53.1 | 0 | 0 | 0 | 0 | 122.3 | |||||
| 925 | C | 27 | Very low | 32.1 | Very low | 128 Ų | 128 | 119.1 Ų | 119.1 | 87% | 0.865 | 75% | 0.747 | S | S | * | * | 25.9 | 130.1 | 127.7 | -44 | 0 | 0 | 0 | 0 | 121.1 | |||||
| 926 | G | 32.3 | Very low | 32.4 | Very low | 81 Ų | 81 | 116.7 Ų | 116.7 | 84% | 0.835 | 75% | 0.746 | S | S | * | * | trans | 174.8 | 92.8 | 160.9 | 0 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 927 | S | 29.5 | Very low | 32.4 | Very low | 120 Ų | 120 | 117.9 Ų | 117.9 | 84% | 0.839 | 74% | 0.743 | S | S | * | * | trans | -88.5 | 169.1 | 152.1 | -46.4 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 928 | P | 37.6 | Very low | 32.4 | Very low | 121 Ų | 121 | 116.2 Ų | 116.2 | 79% | 0.786 | 74% | 0.739 | S | S | * | * | cis | -138.3 | -156.9 | 3.6 | 38.5 | -16.2 | 0 | 0 | 0 | 113.8 | ||||
| 929 | A | 31.5 | Very low | 32.1 | Very low | 77 Ų | 77 | 113.6 Ų | 113.6 | 64% | 0.636 | 74% | 0.738 | S | S | * | * | trans | 90.6 | 107 | 143.3 | 0 | 0 | 0 | 0 | 0 | 122.6 | ||||
| 930 | L | 29.5 | Very low | 32.1 | Very low | 162 Ų | 162 | 115.2 Ų | 115.2 | 85% | 0.848 | 74% | 0.742 | S | S | * | * | 74.6 | 166 | 124.9 | -63.1 | 175 | 0 | 0 | 0 | 121.7 | |||||
| 931 | T | 33.2 | Very low | 32.1 | Very low | 125 Ų | 125 | 115.1 Ų | 115.1 | 77% | 0.767 | 75% | 0.746 | S | S | * | * | trans | 82.4 | 91.6 | 167.7 | 62.7 | 0 | 0 | 0 | 0 | 119.5 | ||||
| 932 | S | 31.4 | Very low | 32.1 | Very low | 100 Ų | 100 | 114.6 Ų | 114.6 | 70% | 0.699 | 75% | 0.75 | S | S | * | * | 54.4 | 144.2 | 122.9 | 59 | 0 | 0 | 0 | 0 | 123.3 | |||||
| 933 | S | 33.7 | Very low | 32 | Very low | 110 Ų | 110 | 115.3 Ų | 115.3 | 77% | 0.769 | 75% | 0.752 | S | S | * | * | trans | 65.8 | 148.7 | 152.5 | 41.8 | 0 | 0 | 0 | 0 | 118.4 | ||||
| 934 | S | 35 | Very low | 31.7 | Very low | 97 Ų | 97 | 116.6 Ų | 116.6 | 68% | 0.678 | 76% | 0.759 | S | S | * | * | cis | -164.9 | 167.7 | -18.3 | 50.9 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 935 | S | 33.4 | Very low | 31.6 | Very low | 104 Ų | 104 | 115.3 Ų | 115.3 | 73% | 0.727 | 76% | 0.755 | S | S | * | * | trans | 53.9 | 131.4 | 140.7 | 63.4 | 0 | 0 | 0 | 0 | 122 | ||||
| 936 | A | 34.9 | Very low | 31.7 | Very low | 88 Ų | 88 | 117 Ų | 117 | 73% | 0.727 | 75% | 0.75 | S | S | * | * | trans | 103.5 | 121.3 | 132.7 | 0 | 0 | 0 | 0 | 0 | 120.6 | ||||
| 937 | S | 33.3 | Very low | 31.6 | Very low | 99 Ų | 99 | 118.9 Ų | 118.9 | 69% | 0.692 | 75% | 0.745 | S | S | * | * | 65 | 96.9 | 129.4 | 64.8 | 0 | 0 | 0 | 0 | 122.3 | |||||
| 938 | T | 30.9 | Very low | 31.6 | Very low | 125 Ų | 125 | 120.2 Ų | 120.2 | 77% | 0.767 | 74% | 0.741 | S | S | * | * | 62.2 | 154.2 | 117.2 | -4.1 | 0 | 0 | 0 | 0 | 122.6 | |||||
| 939 | T | 30.5 | Very low | 31.4 | Very low | 121 Ų | 121 | 121.8 Ų | 121.8 | 74% | 0.742 | 74% | 0.742 | S | S | * | * | trans | 57.2 | 99.8 | 156.3 | 46.2 | 0 | 0 | 0 | 0 | 117.8 | ||||
| 940 | N | 32.5 | Very low | 31.5 | Very low | 159 Ų | 159 | 122.7 Ų | 122.7 | 85% | 0.85 | 74% | 0.744 | S | S | * | * | -149.3 | 142.7 | 126.1 | -102.3 | -43.3 | 0 | 0 | 0 | 112.5 | |||||
| 941 | S | 31.7 | Very low | 31.6 | Very low | 104 Ų | 104 | 122.9 Ų | 122.9 | 73% | 0.727 | 75% | 0.746 | S | S | * | * | trans | 18.8 | 135.8 | 158.2 | -51.2 | 0 | 0 | 0 | 0 | 122.7 | ||||
| 942 | P | 32.8 | Very low | 31.6 | Very low | 115 Ų | 115 | 121.3 Ų | 121.3 | 75% | 0.747 | 75% | 0.746 | S | S | * | * | trans | -85.7 | -176.9 | 165 | 38.9 | -36.2 | 0 | 0 | 0 | 112.7 | ||||
| 943 | I | 27.3 | Very low | 31.8 | Very low | 146 Ų | 146 | 122 Ų | 122 | 75% | 0.749 | 75% | 0.748 | S | S | * | * | trans | 79.8 | 104.9 | 168.5 | -57.3 | 177.8 | 0 | 0 | 0 | 115.8 | ||||
| 944 | L | 27.8 | Very low | 31.9 | Very low | 157 Ų | 157 | 121.6 Ų | 121.6 | 82% | 0.822 | 74% | 0.742 | S | S | * | * | trans | 29.3 | 130.7 | 133.2 | -61.7 | 158.2 | 0 | 0 | 0 | 117.5 | ||||
| 945 | S | 27.4 | Very low | 31.9 | Very low | 82 Ų | 82 | 123.4 Ų | 123.4 | 57% | 0.573 | 75% | 0.749 | S | S | * | * | 179 | 176.2 | 67.2 | 36.4 | 0 | 0 | 0 | 0 | 112.4 | |||||
| 946 | H | 30.1 | Very low | 32 | Very low | 164 Ų | 164 | 123.7 Ų | 123.7 | 76% | 0.759 | 75% | 0.752 | S | S | * | * | trans | 72.8 | 146.4 | 170.9 | -49.2 | -69.4 | 0 | 0 | 0 | 114.9 | ||||
| 947 | T | 30.1 | Very low | 32 | Very low | 121 Ų | 121 | 124.8 Ų | 124.8 | 74% | 0.742 | 75% | 0.751 | S | S | * | * | cis | -168.1 | 158.2 | -4.7 | 11 | 0 | 0 | 0 | 0 | 107.7 | ||||
| 948 | I | 29.3 | Very low | 31.7 | Very low | 148 Ų | 148 | 126.2 Ų | 126.2 | 76% | 0.759 | 76% | 0.756 | S | S | * | * | cis | -149 | 168.3 | -7.5 | -15 | 154.9 | 0 | 0 | 0 | 106.5 | ||||
| 949 | L | 32.6 | Very low | 31.6 | Very low | 154 Ų | 154 | 126 Ų | 126 | 81% | 0.806 | 76% | 0.759 | S | S | * | * | -171.2 | 150.5 | 123.9 | -125.1 | 74.6 | 0 | 0 | 0 | 114.6 | |||||
| 950 | S | 33.5 | Very low | 31.4 | Very low | 95 Ų | 95 | 123.5 Ų | 123.5 | 66% | 0.664 | 76% | 0.757 | S | S | * | * | trans | 60 | 102.9 | 157 | 58.9 | 0 | 0 | 0 | 0 | 122.6 | ||||
| 951 | N | 33.3 | Very low | 31.5 | Very low | 167 Ų | 167 | 121.3 Ų | 121.3 | 89% | 0.893 | 75% | 0.75 | S | S | * | * | 74.5 | 134.6 | 128.1 | -59.1 | 13.7 | 0 | 0 | 0 | 122.9 | |||||
| 952 | A | 32.8 | Very low | 31.4 | Very low | 92 Ų | 92 | 122 Ų | 122 | 76% | 0.76 | 75% | 0.75 | S | S | * | * | trans | -127.5 | -162.8 | 171 | 0 | 0 | 0 | 0 | 0 | 108 | ||||
| 953 | P | 35.5 | Very low | 31.7 | Very low | 115 Ų | 115 | 122.2 Ų | 122.2 | 75% | 0.747 | 74% | 0.741 | S | S | * | * | cis | -135.2 | -140.3 | -0.9 | 39.1 | -14.7 | 0 | 0 | 0 | 111.8 | ||||
| 954 | P | 36.4 | Very low | 32.4 | Very low | 101 Ų | 101 | 119.4 Ų | 119.4 | 66% | 0.656 | 73% | 0.725 | S | S | * | * | -122.7 | -167.9 | -63.7 | 30.9 | -10.8 | 0 | 0 | 0 | 114.6 | |||||
| 955 | T | 34.7 | Very low | 33.2 | Very low | 134 Ų | 134 | 117 Ų | 117 | 82% | 0.822 | 72% | 0.719 | S | S | * | * | trans | 81.5 | 141.7 | 149.2 | 36.9 | 0 | 0 | 0 | 0 | 122.7 | ||||
| 956 | S | 34 | Very low | 33.5 | Very low | 111 Ų | 111 | 118.9 Ų | 118.9 | 78% | 0.776 | 71% | 0.713 | S | S | * | * | trans | -83.3 | -173 | 174.9 | -35.4 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 957 | P | 35.3 | Very low | 33.8 | Very low | 110 Ų | 110 | 116.8 Ų | 116.8 | 71% | 0.714 | 70% | 0.698 | S | S | * | * | cis | -142.2 | 169.2 | 5.2 | 43.4 | -24.8 | 0 | 0 | 0 | 118.6 | ||||
| 958 | T | 27.8 | Very low | 34.4 | Very low | 129 Ų | 129 | 115.9 Ų | 115.9 | 79% | 0.791 | 69% | 0.693 | S | S | * | * | trans | 55.3 | 147.1 | 139.3 | -58.4 | 0 | 0 | 0 | 0 | 122.7 | ||||
| 959 | S | 28.9 | Very low | 34.9 | Very low | 121 Ų | 121 | 115.1 Ų | 115.1 | 85% | 0.846 | 68% | 0.684 | S | S | * | * | trans | 75.3 | 145.8 | 175 | 80 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 960 | G | 26.6 | Very low | 35.2 | Very low | 68 Ų | 68 | 111.7 Ų | 111.7 | 70% | 0.701 | 67% | 0.666 | S | S | * | * | cis | 156.5 | 92.9 | -9.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 961 | T | 33.4 | Very low | 35.6 | Very low | 114 Ų | 114 | 110 Ų | 110 | 70% | 0.699 | 65% | 0.65 | S | S | * | * | trans | -149.6 | 110.4 | 174.6 | -25.2 | 0 | 0 | 0 | 0 | 113.6 | H963 | T961-H963 PolarHBondContact O-N 3.2Š| ||
| 962 | T | 29.6 | Very low | 36.1 | Very low | 119 Ų | 119 | 106 Ų | 106 | 73% | 0.73 | 63% | 0.628 | S | S | * | * | trans | -65.9 | 113.6 | 173.7 | 46.8 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 963 | H | 39 | Very low | 36.4 | Very low | 118 Ų | 118 | 106.7 Ų | 106.7 | 55% | 0.546 | 62% | 0.618 | S | S | . | * | trans | -123.5 | 50.9 | -175.8 | -99 | -45.5 | 0 | 0 | 0 | 119.2 | T961 R967 | T961-H963 PolarHBondContact O-N 3.2Å; H963-R967 PolarHBondContact ND1-NH1 3.08Å; H963-R967 PolarHBondContact ND1-NH2 3.39Å; H963-R967 PolarHBondContact O-NH1 3.07Å | ||
| 964 | Q | 41.9 | Very low | 36.6 | Very low | 88 Ų | 88 | 103.2 Ų | 103.2 | 41% | 0.411 | 59% | 0.591 | S | S | . | * | 76.9 | 95.3 | 122.6 | -69.4 | -70.8 | 9.3 | 0 | 0 | 118.6 | W966 R967 | Q964-W966 HydrophobicContact CB-CD2 4.42Å; Q964-W966 HydrophobicContact CB-CG 4.16Å; Q964-W966 PolarHBondContact O-N 2.95Å; Q964-W966 VanDerWaalsContact O-N 3.12Å; Q964-R967 PolarHBondContact O-N 3.12Å | |||
| 965 | P | 44.4 | Very low | 36.8 | Very low | 107 Ų | 107 | 103 Ų | 103 | 70% | 0.695 | 58% | 0.583 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -67.5 | -6.4 | 172.9 | 28.9 | -34.8 | 0 | 0 | 0 | 114.3 | R967 V968 | P965-R967 PolarHBondContact O-N 2.9Å; P965-R967 VanDerWaalsContact O-N 3.16Å; P965-V968 PolarHBondContact O-N 3.3Å |
| 966 | W | 34.1 | Very low | 36.9 | Very low | 121 Ų | 121 | 98.4 Ų | 98.4 | 46% | 0.458 | 56% | 0.556 | S | S | . | * | H | α-helix | trans | -57.7 | -26.7 | 171.5 | 65.8 | -120 | 0 | 0 | 0 | 112.6 | Q964 V968 K969 L970 | Q964-W966 HydrophobicContact CB-CD2 4.42Å; Q964-W966 HydrophobicContact CB-CG 4.16Å; Q964-W966 PolarHBondContact O-N 2.95Å; Q964-W966 VanDerWaalsContact O-N 3.12Å; W966-V968 VanDerWaalsContact C-N 3.26Å; W966-V968 PolarHBondContact O-N 3.07Å; W966-K969 PolarHBondContact O-N 3.19Å; W966-L970 HydrophobicContact CE3-CB 4.21Å; W966-L970 HydrophobicContact CE3-CD1 3.69Å; W966-L970 HydrophobicContact CZ3-CD1 3.79Å; W966-L970 VanDerWaalsContact O-CB 3.24Å; W966-L970 WeakPolarHBondContact O-CB 3.46Å; W966-L970 PolarHBondContact O-N 3.14Å |
| 967 | R | 36 | Very low | 37.1 | Very low | 119 Ų | 119 | 101.6 Ų | 101.6 | 45% | 0.449 | 56% | 0.556 | S | S | . | * | H | α-helix | trans | -58.9 | -34.1 | -179.8 | -71.2 | 177.1 | 174.9 | 132.4 | -5.9 | 113.2 | H963 Q964 P965 N971 | H963-R967 PolarHBondContact ND1-NH1 3.08Å; H963-R967 PolarHBondContact ND1-NH2 3.39Å; H963-R967 PolarHBondContact O-NH1 3.07Å; Q964-R967 PolarHBondContact O-N 3.12Å; P965-R967 PolarHBondContact O-N 2.9Å; P965-R967 VanDerWaalsContact O-N 3.16Å; R967-N971 PolarHBondContact O-N 3.05Å; R967-N971 VanDerWaalsContact O-N 3.15Å |
| 968 | V | 44.6 | Very low | 37.1 | Very low | 102 Ų | 102 | 99.5 Ų | 99.5 | 62% | 0.618 | 54% | 0.539 | S | S | * | . | H | α-helix | trans | -80.7 | -38.9 | 177.1 | -177.1 | 0 | 0 | 0 | 0 | 111.7 | P965 W966 L970 N972 | P965-V968 PolarHBondContact O-N 3.3Å; W966-V968 VanDerWaalsContact C-N 3.26Å; W966-V968 PolarHBondContact O-N 3.07Å; V968-L970 VanDerWaalsContact C-N 3.34Å; V968-N972 PolarHBondContact O-N 3.4Å; V968-N972 PolarHBondContact O-ND2 2.87Å |
| 969 | K | 38.6 | Very low | 37.2 | Very low | 133 Ų | 133 | 95.6 Ų | 95.6 | 58% | 0.578 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -62.8 | -41.2 | 172.6 | -72.9 | -172.9 | 175.6 | -178.6 | 0 | 111.2 | W966 N972 L973 | W966-K969 PolarHBondContact O-N 3.19Å; K969-N972 PolarHBondContact O-N 2.77Å; K969-L973 PolarHBondContact O-N 3.21Å |
| 970 | L | 39.2 | Very low | 37.3 | Very low | 81 Ų | 81 | 92.9 Ų | 92.9 | 42% | 0.424 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -69.8 | -38.2 | -179.8 | -153.5 | 163.8 | 0 | 0 | 0 | 111.6 | W966 V968 N972 L973 K974 | W966-L970 HydrophobicContact CE3-CB 4.21Å; W966-L970 HydrophobicContact CE3-CD1 3.69Å; W966-L970 HydrophobicContact CZ3-CD1 3.79Å; W966-L970 VanDerWaalsContact O-CB 3.24Å; W966-L970 WeakPolarHBondContact O-CB 3.46Å; W966-L970 PolarHBondContact O-N 3.14Å; V968-L970 VanDerWaalsContact C-N 3.34Å; L970-N972 VanDerWaalsContact C-N 3.35Å; L970-N972 PolarHBondContact O-N 3.06Å; L970-L973 PolarHBondContact O-N 3.02Å; L970-K974 WeakPolarHBondContact O-CB 3.42Å; L970-K974 PolarHBondContact O-N 3.04Å |
| 971 | N | 42.3 | Very low | 37.5 | Very low | 61 Ų | 61 | 92.1 Ų | 92.1 | 33% | 0.326 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -63.5 | -37.4 | 172.6 | -107.3 | 7.9 | 0 | 0 | 0 | 112.6 | R967 K974 M975 | R967-N971 PolarHBondContact O-N 3.05Å; R967-N971 VanDerWaalsContact O-N 3.15Å; N971-K974 PolarHBondContact O-N 2.81Å; N971-K974 WeakPolarHBondContact OD1-CE 3.29Å; N971-K974 PolarHBondContact OD1-NZ 3.03Å; N971-M975 WeakPolarHBondContact O-CG 3.42Å; N971-M975 PolarHBondContact O-N 2.9Å; N971-M975 VanDerWaalsContact O-N 3.08Å |
| 972 | N | 42.9 | Very low | 37.5 | Very low | 82 Ų | 82 | 94.1 Ų | 94.1 | 44% | 0.439 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -68.7 | -40.9 | 173.8 | -76.1 | -72.3 | 0 | 0 | 0 | 112.6 | V968 K969 L970 K974 M975 S976 | V968-N972 PolarHBondContact O-N 3.4Å; V968-N972 PolarHBondContact O-ND2 2.87Å; K969-N972 PolarHBondContact O-N 2.77Å; L970-N972 VanDerWaalsContact C-N 3.35Å; L970-N972 PolarHBondContact O-N 3.06Å; N972-K974 VanDerWaalsContact C-N 3.29Å; N972-K974 PolarHBondContact O-N 3.12Å; N972-M975 PolarHBondContact O-N 2.92Å; N972-S976 PolarHBondContact O-N 2.9Å; N972-S976 PolarHBondContact O-OG 2.84Å |
| 973 | L | 39.4 | Very low | 37.6 | Very low | 106 Ų | 106 | 91.7 Ų | 91.7 | 56% | 0.555 | 46% | 0.462 | S | S | * | . | H | α-helix | trans | -59.4 | -41.7 | 172.8 | -172.3 | 69.7 | 0 | 0 | 0 | 111.4 | K969 L970 S976 F977 | K969-L973 PolarHBondContact O-N 3.21Å; L970-L973 PolarHBondContact O-N 3.02Å; L973-S976 WeakPolarHBondContact O-CA 3.45Å; L973-S976 VanDerWaalsContact O-CB 3.32Å; L973-S976 WeakPolarHBondContact O-CB 3.44Å; L973-S976 PolarHBondContact O-N 3.2Å; L973-F977 PolarHBondContact O-N 2.99Å |
| 974 | K | 38.9 | Very low | 37.3 | Very low | 42 Ų | 42 | 92.1 Ų | 92.1 | 18% | 0.183 | 46% | 0.464 | C | S | . | . | H | α-helix | trans | -69.3 | -34.2 | -178.2 | -165.2 | 174 | 62.8 | 178.3 | 0 | 112.9 | L218 L970 N971 N972 S976 L978 | L218-K974 HydrophobicContact CB-CD 4.46Å; L218-K974 HydrophobicContact CD2-CD 3.64Å; L218-K974 HydrophobicContact CD2-CG 3.81Å; L218-K974 HydrophobicContact CG-CD 4.19Å; L970-K974 WeakPolarHBondContact O-CB 3.42Å; L970-K974 PolarHBondContact O-N 3.04Å; N971-K974 PolarHBondContact O-N 2.81Å; N971-K974 WeakPolarHBondContact OD1-CE 3.29Å; N971-K974 PolarHBondContact OD1-NZ 3.03Å; N972-K974 VanDerWaalsContact C-N 3.29Å; N972-K974 PolarHBondContact O-N 3.12Å; K974-S976 PolarHBondContact O-N 2.88Å; K974-L978 HydrophobicContact CG-CD1 4.26Å; K974-L978 WeakPolarHBondContact O-CD1 3.47Å |
| 975 | M | 40.5 | Very low | 37 | Very low | 97 Ų | 97 | 94.4 Ų | 94.4 | 48% | 0.478 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -75.7 | -11 | 169.2 | -62.5 | -56.6 | -172.7 | 0 | 0 | 113.5 | N971 N972 | N971-M975 WeakPolarHBondContact O-CG 3.42Å; N971-M975 PolarHBondContact O-N 2.9Å; N971-M975 VanDerWaalsContact O-N 3.08Å; N972-M975 PolarHBondContact O-N 2.92Å |
| 976 | S | 38.7 | Very low | 36.4 | Very low | 37 Ų | 37 | 98.6 Ų | 98.6 | 26% | 0.259 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -91.7 | -12.5 | 175.2 | -55.2 | 0 | 0 | 0 | 0 | 113.5 | N972 L973 K974 | N972-S976 PolarHBondContact O-N 2.9Å; N972-S976 PolarHBondContact O-OG 2.84Å; L973-S976 WeakPolarHBondContact O-CA 3.45Å; L973-S976 VanDerWaalsContact O-CB 3.32Å; L973-S976 WeakPolarHBondContact O-CB 3.44Å; L973-S976 PolarHBondContact O-N 3.2Å; K974-S976 PolarHBondContact O-N 2.88Å |
| 977 | F | 36.7 | Very low | 36.2 | Very low | 178 Ų | 178 | 102.5 Ų | 102.5 | 78% | 0.781 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -107.7 | -7.9 | -176.4 | -117.6 | -90.5 | 0 | 0 | 0 | 114.2 | L973 | L973-F977 PolarHBondContact O-N 2.99Å |
| 978 | L | 36.8 | Very low | 35.9 | Very low | 66 Ų | 66 | 101.7 Ų | 101.7 | 35% | 0.346 | 51% | 0.509 | S | S | . | . | trans | -112.9 | 86.6 | -175.1 | -68.8 | 170.1 | 0 | 0 | 0 | 110.8 | L218 K974 | L218-L978 HydrophobicContact CD2-CD1 3.27Å; K974-L978 HydrophobicContact CG-CD1 4.26Å; K974-L978 WeakPolarHBondContact O-CD1 3.47Å | ||
| 979 | G | 28.7 | Very low | 35.1 | Very low | 48 Ų | 48 | 101.9 Ų | 101.9 | 50% | 0.495 | 52% | 0.515 | S | S | . | . | trans | -121 | 86.9 | -176.9 | 0 | 0 | 0 | 0 | 0 | 113.8 | P981 | G979-P981 VanDerWaalsContact O-CD 3.26Å; G979-P981 WeakPolarHBondContact O-CD 3.31Å | ||
| 980 | S | 31.1 | Very low | 34.6 | Very low | 64 Ų | 64 | 102.1 Ų | 102.1 | 45% | 0.448 | 52% | 0.522 | S | S | . | . | trans | -74.7 | 115.5 | 158.5 | -101.3 | 0 | 0 | 0 | 0 | 109.3 | E142 R982 | E142-S980 PolarHBondContact OE1-OG 3.41Å; E142-S980 WeakPolarHBondContact OE2-CB 3.33Å; E142-S980 PolarHBondContact OE2-OG 2.73Å; S980-R982 VanDerWaalsContact C-N 3.31Å; S980-R982 PolarHBondContact O-N 3.07Å | ||
| 981 | P | 31.1 | Very low | 34 | Very low | 51 Ų | 51 | 104.7 Ų | 104.7 | 33% | 0.331 | 54% | 0.535 | S | S | . | . | trans | -76.7 | 78.6 | -177.1 | -15.4 | 33.3 | 0 | 0 | 0 | 111.8 | G979 F983 | G979-P981 VanDerWaalsContact O-CD 3.26Å; G979-P981 WeakPolarHBondContact O-CD 3.31Å; P981-F983 PolarHBondContact O-N 3.11Å | ||
| 982 | R | 34 | Very low | 33.4 | Very low | 157 Ų | 157 | 110 Ų | 110 | 59% | 0.592 | 56% | 0.557 | S | S | * | * | trans | -42.6 | 108.8 | 178.5 | 179.9 | 177.2 | -178.2 | 170.1 | 3.7 | 112 | S980 H984 | S980-R982 VanDerWaalsContact C-N 3.31Å; S980-R982 PolarHBondContact O-N 3.07Å; R982-H984 PolarHBondContact NE-CE1 2.93Å; R982-H984 VanDerWaalsContact NE-CE1 3.29Å; R982-H984 PolarHBondContact NE-NE2 3.06Å | ||
| 983 | F | 32 | Very low | 32.8 | Very low | 67 Ų | 67 | 111.7 Ų | 111.7 | 29% | 0.294 | 57% | 0.571 | S | S | . | * | trans | -65 | 144.2 | 174.4 | -61.2 | -86.5 | 0 | 0 | 0 | 109.9 | E99 P981 | E99-F983 WeakPolarHBondContact OE1-CB 3.23Å; E99-F983 VanDerWaalsContact OE1-CD2 3.3Å; E99-F983 WeakPolarHBondContact OE1-CD2 3.42Å; P981-F983 PolarHBondContact O-N 3.11Å | ||
| 984 | H | 32.7 | Very low | 32.5 | Very low | 127 Ų | 127 | 112.6 Ų | 112.6 | 59% | 0.588 | 58% | 0.581 | S | S | * | * | trans | -141.6 | 95 | 171.2 | -89.2 | 140.4 | 0 | 0 | 0 | 108.6 | R982 K986 | R982-H984 PolarHBondContact NE-CE1 2.93Å; R982-H984 VanDerWaalsContact NE-CE1 3.29Å; R982-H984 PolarHBondContact NE-NE2 3.06Å; H984-K986 VanDerWaalsContact C-N 3.31Å; H984-K986 PolarHBondContact O-N 2.7Å | ||
| 985 | R | 35.2 | Very low | 32.1 | Very low | 136 Ų | 136 | 118.3 Ų | 118.3 | 51% | 0.513 | 61% | 0.613 | S | S | . | * | trans | -73.3 | 80.7 | -178.8 | -161 | -176 | -161.8 | -171.3 | 11.5 | 110.8 | S96 K987 | S96-R985 PolarHBondContact O-NH1 2.81Å; R985-K987 PolarHBondContact O-N 3.22Å | ||
| 986 | K | 30.8 | Very low | 31.6 | Very low | 196 Ų | 196 | 121.4 Ų | 121.4 | 85% | 0.852 | 63% | 0.626 | S | S | * | * | trans | -61.6 | 103 | 179.9 | -169.9 | 178.2 | -178.3 | -177.2 | 0 | 110.4 | H984 S988 | H984-K986 VanDerWaalsContact C-N 3.31Å; H984-K986 PolarHBondContact O-N 2.7Å; K986-S988 PolarHBondContact O-N 3.08Å | ||
| 987 | K | 31.1 | Very low | 31.3 | Very low | 203 Ų | 203 | 127.9 Ų | 127.9 | 88% | 0.883 | 66% | 0.658 | S | S | * | * | trans | -71.7 | 84.4 | 178.4 | -171.4 | 177.8 | -178.3 | 180 | 0 | 110.4 | R985 S989 | R985-K987 PolarHBondContact O-N 3.22Å; K987-S989 PolarHBondContact O-N 3.4Å | ||
| 988 | S | 29.1 | Very low | 31 | Very low | 101 Ų | 101 | 124.2 Ų | 124.2 | 71% | 0.706 | 65% | 0.654 | S | S | * | * | trans | -74.5 | 104.3 | 169.5 | 56.8 | 0 | 0 | 0 | 0 | 110 | K986 L990 | K986-S988 PolarHBondContact O-N 3.08Å; S988-L990 VanDerWaalsContact C-N 3.33Å; S988-L990 PolarHBondContact O-N 3.12Å | ||
| 989 | S | 27.8 | Very low | 30.8 | Very low | 107 Ų | 107 | 129.9 Ų | 129.9 | 75% | 0.748 | 68% | 0.679 | S | S | * | * | trans | -67.7 | 92.2 | 160.7 | 48.8 | 0 | 0 | 0 | 0 | 108.7 | K987 I991 | K987-S989 PolarHBondContact O-N 3.4Å; S989-I991 PolarHBondContact O-N 3.25Å | ||
| 990 | L | 28.3 | Very low | 31 | Very low | 137 Ų | 137 | 134.1 Ų | 134.1 | 72% | 0.717 | 70% | 0.695 | S | S | * | * | trans | -74.4 | 105.7 | 170.9 | -173.2 | 69.3 | 0 | 0 | 0 | 107.9 | S988 H992 | S988-L990 VanDerWaalsContact C-N 3.33Å; S988-L990 PolarHBondContact O-N 3.12Å; L990-H992 PolarHBondContact O-N 3Å | ||
| 991 | I | 27.1 | Very low | 31.3 | Very low | 136 Ų | 136 | 136.9 Ų | 136.9 | 70% | 0.697 | 71% | 0.711 | S | S | * | * | trans | -70.6 | 114.8 | 168.4 | -64.4 | 173.7 | 0 | 0 | 0 | 106.5 | S989 T993 | S989-I991 PolarHBondContact O-N 3.25Å; I991-T993 HydrophobicContact CG2-CG2 3.99Å | ||
| 992 | H | 29.5 | Very low | 31.9 | Very low | 171 Ų | 171 | 139.9 Ų | 139.9 | 79% | 0.792 | 73% | 0.731 | S | S | * | * | trans | -80 | 114.3 | 163.4 | -87.4 | -99 | 0 | 0 | 0 | 108.3 | L990 | L990-H992 PolarHBondContact O-N 3Š| ||
| 993 | T | 28.8 | Very low | 31.7 | Very low | 118 Ų | 118 | 138.1 Ų | 138.1 | 72% | 0.724 | 74% | 0.742 | S | S | * | * | trans | -120.2 | 129.9 | 160.8 | 40.4 | 0 | 0 | 0 | 0 | 108 | I991 | I991-T993 HydrophobicContact CG2-CG2 3.99Š| ||
| 994 | T | 33 | Very low | 31.8 | Very low | 125 Ų | 125 | 140.2 Ų | 140.2 | 77% | 0.767 | 77% | 0.766 | S | S | * | * | trans | -66.1 | 126.1 | -172.6 | -53.4 | 0 | 0 | 0 | 0 | 112.6 | Q996 | T994-Q996 HydrophobicContact CG2-CG 3.91Å; T994-Q996 PolarHBondContact O-N 3.06Å | ||
| 995 | D | 30.4 | Very low | 32 | Very low | 162 Ų | 162 | 139.3 Ų | 139.3 | 87% | 0.866 | 77% | 0.771 | S | S | * | * | trans | -75.4 | 98.6 | 157.6 | -78 | -46.7 | 0 | 0 | 0 | 109 | ||||
| 996 | Q | 31.7 | Very low | 31.8 | Very low | 162 Ų | 162 | 140.1 Ų | 140.1 | 76% | 0.757 | 79% | 0.786 | S | S | * | * | trans | -95.4 | 105 | 164.4 | -93.8 | -89.6 | 98.2 | 0 | 0 | 108.1 | T994 S998 | T994-Q996 HydrophobicContact CG2-CG 3.91Å; T994-Q996 PolarHBondContact O-N 3.06Å; Q996-S998 PolarHBondContact O-N 2.95Å | ||
| 997 | L | 31.3 | Very low | 31.7 | Very low | 174 Ų | 174 | 135.1 Ų | 135.1 | 91% | 0.911 | 78% | 0.775 | S | S | * | * | trans | -83.5 | 102.4 | 171.8 | -85.3 | 165.5 | 0 | 0 | 0 | 110.2 | ||||
| 998 | S | 31.4 | Very low | 31.5 | Very low | 100 Ų | 100 | 134.5 Ų | 134.5 | 70% | 0.699 | 77% | 0.773 | S | S | * | * | trans | -144.1 | 134.2 | 160.9 | 59.1 | 0 | 0 | 0 | 0 | 109.6 | Q996 | Q996-S998 PolarHBondContact O-N 2.95Š| ||
| 999 | E | 30.9 | Very low | 31.7 | Very low | 186 Ų | 186 | 134.4 Ų | 134.4 | 87% | 0.869 | 77% | 0.768 | S | S | * | * | trans | -82 | 147.3 | -165.7 | -57.1 | 168.3 | 113.3 | 0 | 0 | 113.7 | ||||
| 1000 | T | 34.8 | Very low | 31.7 | Very low | 137 Ų | 137 | 137.5 Ų | 137.5 | 84% | 0.84 | 77% | 0.771 | S | S | * | * | 153.8 | 129.5 | 129.2 | 43.7 | 0 | 0 | 0 | 0 | 113.7 | |||||
| 1001 | P | 36.4 | Very low | 31.8 | Very low | 121 Ų | 121 | 136.3 Ų | 136.3 | 79% | 0.786 | 77% | 0.774 | S | S | * | * | trans | -122.8 | -171.8 | 166.8 | 41.2 | -29.3 | 0 | 0 | 0 | 112 | ||||
| 1002 | P | 42.8 | Very low | 31.9 | Very low | 114 Ų | 114 | 136.2 Ų | 136.2 | 74% | 0.74 | 77% | 0.771 | S | S | * | * | -132.3 | 156.2 | -52.9 | 37.5 | -22.8 | 0 | 0 | 0 | 113.8 | |||||
| 1003 | S | 30.7 | Very low | 31.8 | Very low | 120 Ų | 120 | 136.5 Ų | 136.5 | 84% | 0.839 | 77% | 0.765 | S | S | * | * | trans | -173.5 | 152.7 | 161.8 | 2.5 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 1004 | S | 34 | Very low | 31.6 | Very low | 112 Ų | 112 | 140 Ų | 140 | 78% | 0.783 | 77% | 0.765 | S | S | * | * | cis | -151.2 | 164.6 | -5.2 | -89.8 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 1005 | P | 37.9 | Very low | 31.3 | Very low | 107 Ų | 107 | 141 Ų | 141 | 70% | 0.695 | 77% | 0.765 | S | S | * | * | trans | -98.8 | 174.6 | -169.9 | 39.4 | -37.3 | 0 | 0 | 0 | 115.4 | ||||
| 1006 | N | 30.1 | Very low | 31.3 | Very low | 154 Ų | 154 | 139.1 Ų | 139.1 | 82% | 0.824 | 77% | 0.765 | S | S | * | * | trans | 134.3 | 150.9 | 160.5 | -74.8 | -18.3 | 0 | 0 | 0 | 112.1 | ||||
| 1007 | S | 28.3 | Very low | 31.1 | Very low | 91 Ų | 91 | 134.8 Ų | 134.8 | 64% | 0.636 | 76% | 0.764 | S | S | * | * | cis | -172.6 | 150.8 | -13.1 | 49 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 1008 | F | 27.8 | Very low | 30.9 | Very low | 189 Ų | 189 | 138.3 Ų | 138.3 | 83% | 0.829 | 77% | 0.765 | S | S | * | * | trans | 65.2 | 156.9 | 150.7 | -80.6 | -142.5 | 0 | 0 | 0 | 117.3 | ||||
| 1009 | T | 31.9 | Very low | 30.8 | Very low | 100 Ų | 100 | 138.6 Ų | 138.6 | 61% | 0.613 | 77% | 0.767 | S | S | * | * | cis | -151.4 | 129.9 | -9.3 | 9.5 | 0 | 0 | 0 | 0 | 107.5 | ||||
| 1010 | Q | 27.8 | Very low | 30.8 | Very low | 171 Ų | 171 | 135.8 Ų | 135.8 | 80% | 0.799 | 77% | 0.768 | S | S | * | * | 50.3 | 103.3 | 95.8 | -165.7 | -173.6 | 32.4 | 0 | 0 | 116.6 | |||||
| 1011 | S | 32 | Very low | 30.5 | Very low | 112 Ų | 112 | 132.8 Ų | 132.8 | 78% | 0.783 | 76% | 0.764 | S | S | * | * | trans | 165 | 158.1 | 133.8 | 46 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 1012 | Q | 28.1 | Very low | 30.3 | Very low | 135 Ų | 135 | 135.5 Ų | 135.5 | 63% | 0.631 | 77% | 0.771 | S | S | * | * | cis | -164.8 | 163.2 | -39.6 | -157 | 172.3 | 9.6 | 0 | 0 | 109.5 | ||||
| 1013 | W | 26.8 | Very low | 29.5 | Very low | 176 Ų | 176 | 136.2 Ų | 136.2 | 67% | 0.667 | 77% | 0.765 | S | S | * | * | trans | 80.3 | 111 | 160.5 | -50.3 | 115.7 | 0 | 0 | 0 | 123 | ||||
| 1014 | R | 25.7 | Very low | 29.5 | Very low | 193 Ų | 193 | 136.1 Ų | 136.1 | 73% | 0.728 | 76% | 0.761 | S | S | * | * | 69.3 | 129.8 | 127.1 | -63.1 | -179.8 | -169.4 | -85.7 | 4.2 | 123.1 | |||||
| 1015 | N | 27.1 | Very low | 29.2 | Very low | 144 Ų | 144 | 135 Ų | 135 | 77% | 0.77 | 75% | 0.754 | S | S | * | * | trans | 19.9 | 130.8 | 130.9 | -51.9 | 9.5 | 0 | 0 | 0 | 117.8 | ||||
| 1016 | S | 29.9 | Very low | 28.8 | Very low | 124 Ų | 124 | 135.4 Ų | 135.4 | 87% | 0.867 | 76% | 0.756 | S | S | * | * | -154 | 164.4 | 54.4 | -63.3 | 0 | 0 | 0 | 0 | 113.3 | |||||
| 1017 | G | 27.2 | Very low | 28.7 | Very low | 71 Ų | 71 | 134.9 Ų | 134.9 | 73% | 0.732 | 75% | 0.752 | S | S | * | * | trans | -93.5 | 178.1 | -168 | 0 | 0 | 0 | 0 | 0 | 116.7 | ||||
| 1018 | R | 26.7 | Very low | 28.8 | Very low | 247 Ų | 247 | 137 Ų | 137 | 93% | 0.932 | 76% | 0.756 | S | S | * | * | trans | 71.3 | 150.2 | 173.5 | -67 | -174.2 | 175.3 | -163.1 | -0.4 | 117.1 | ||||
| 1019 | S | 29.9 | Very low | 28.7 | Very low | 106 Ų | 106 | 134.8 Ų | 134.8 | 74% | 0.741 | 76% | 0.758 | S | S | * | * | cis | -169.7 | 109.3 | -28.2 | 49.9 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 1020 | S | 31.9 | Very low | 28.6 | Very low | 128 Ų | 128 | 136.6 Ų | 136.6 | 90% | 0.895 | 76% | 0.76 | S | S | * | * | trans | -162.6 | 149.4 | 159.5 | 50.6 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 1021 | G | 28.1 | Very low | 28.5 | Very low | 74 Ų | 74 | 138.5 Ų | 138.5 | 76% | 0.763 | 77% | 0.765 | S | S | * | * | cis | 148.6 | 32.5 | -0.1 | 0 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 1022 | L | 31.7 | Very low | 28.4 | Very low | 178 Ų | 178 | 137.6 Ų | 137.6 | 93% | 0.932 | 76% | 0.759 | S | S | * | * | trans | -107.1 | 140.1 | -179.6 | -76.9 | 166.7 | 0 | 0 | 0 | 110.3 | ||||
| 1023 | E | 26.4 | Very low | 28.8 | Very low | 129 Ų | 129 | 135.9 Ų | 135.9 | 60% | 0.603 | 75% | 0.747 | S | S | * | * | trans | -122 | 129.9 | -153.6 | -159.1 | -71.5 | 144.5 | 0 | 0 | 110.3 | S1025 P1026 | E1023-S1025 VanDerWaalsContact CD-N 3.26Å; E1023-S1025 PolarHBondContact OE1-N 3.23Å; E1023-S1025 PolarHBondContact OE2-N 2.85Å; E1023-P1026 WeakPolarHBondContact OE1-CD 3.49Å | ||
| 1024 | P | 29.5 | Very low | 29 | Very low | 118 Ų | 118 | 135.7 Ų | 135.7 | 77% | 0.766 | 75% | 0.751 | S | S | * | * | trans | -116 | 73.9 | 172.1 | 38 | -28.3 | 0 | 0 | 0 | 113.5 | ||||
| 1025 | S | 29.3 | Very low | 29.1 | Very low | 89 Ų | 89 | 134 Ų | 134 | 62% | 0.622 | 76% | 0.756 | S | S | * | * | trans | 61.9 | 104.4 | 151.7 | -61.2 | 0 | 0 | 0 | 0 | 118.8 | E1023 L1027 | E1023-S1025 VanDerWaalsContact CD-N 3.26Å; E1023-S1025 PolarHBondContact OE1-N 3.23Å; E1023-S1025 PolarHBondContact OE2-N 2.85Å; S1025-L1027 PolarHBondContact O-N 2.9Å | ||
| 1026 | P | 28.5 | Very low | 29.1 | Very low | 114 Ų | 114 | 130.5 Ų | 130.5 | 74% | 0.74 | 75% | 0.754 | S | S | * | * | trans | -96.5 | 86.3 | 175.1 | 34.6 | -24.5 | 0 | 0 | 0 | 111 | E1023 | E1023-P1026 WeakPolarHBondContact OE1-CD 3.49Š| ||
| 1027 | L | 28.7 | Very low | 29.1 | Very low | 143 Ų | 143 | 133.3 Ų | 133.3 | 75% | 0.749 | 75% | 0.751 | S | S | * | * | trans | -125 | 136.6 | -175.6 | -77.4 | 173.4 | 0 | 0 | 0 | 115.6 | S1025 | S1025-L1027 PolarHBondContact O-N 2.9Š| ||
| 1028 | L | 30.8 | Very low | 29.2 | Very low | 135 Ų | 135 | 138.3 Ų | 138.3 | 71% | 0.707 | 76% | 0.76 | S | S | * | * | trans | 61.4 | 74.6 | 168.6 | -79.3 | 75.4 | 0 | 0 | 0 | 117.7 | H1030 | L1028-H1030 PolarHBondContact O-N 3.36Š| ||
| 1029 | T | 25.8 | Very low | 29.2 | Very low | 144 Ų | 144 | 133.5 Ų | 133.5 | 88% | 0.883 | 76% | 0.758 | S | S | * | * | trans | -26.8 | 97.6 | 134.4 | 40.1 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 1030 | H | 29.1 | Very low | 29.1 | Very low | 138 Ų | 138 | 133.3 Ų | 133.3 | 64% | 0.639 | 76% | 0.763 | S | S | * | * | trans | -103.1 | 118.9 | 161.6 | -112.5 | -113.4 | 0 | 0 | 0 | 110.9 | L1028 S1032 | L1028-H1030 PolarHBondContact O-N 3.36Å; H1030-S1032 PolarHBondContact O-N 2.89Å; H1030-S1032 VanDerWaalsContact O-N 3.08Å | ||
| 1031 | K | 26 | Very low | 28.9 | Very low | 210 Ų | 210 | 131.9 Ų | 131.9 | 91% | 0.913 | 76% | 0.759 | S | S | * | * | trans | -66.1 | 106.3 | -179.7 | -70.7 | 179.3 | 176.5 | 179.4 | 0 | 109.9 | W1033 | K1031-W1033 PolarHBondContact O-N 3.46Š| ||
| 1032 | S | 29 | Very low | 28.8 | Very low | 93 Ų | 93 | 134.9 Ų | 134.9 | 65% | 0.65 | 77% | 0.769 | S | S | * | * | trans | -68 | 123.1 | 170 | -173.1 | 0 | 0 | 0 | 0 | 110 | H1030 F1034 | H1030-S1032 PolarHBondContact O-N 2.89Å; H1030-S1032 VanDerWaalsContact O-N 3.08Å; S1032-F1034 PolarHBondContact O-N 3.09Å | ||
| 1033 | W | 35.7 | Very low | 28.6 | Very low | 100 Ų | 100 | 129.5 Ų | 129.5 | 38% | 0.379 | 76% | 0.756 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -73.8 | 44.1 | -174.5 | -179.3 | -2.1 | 0 | 0 | 0 | 112.1 | L104 G209 A210 K1031 | L104-W1033 HydrophobicContact CD2-CH2 4.22Å; L104-W1033 HydrophobicContact CD2-CZ3 4.04Å; L104-W1033 HydrophobicContact CG-CZ3 4.32Å; G209-W1033 VanDerWaalsContact C-CH2 3.41Å; G209-W1033 VanDerWaalsContact C-CZ3 3.41Å; G209-W1033 VanDerWaalsContact CA-CZ3 3.46Å; A210-W1033 VanDerWaalsContact C-CZ2 3.5Å; K1031-W1033 PolarHBondContact O-N 3.46Å |
| 1034 | F | 32.2 | Very low | 28.7 | Very low | 171 Ų | 171 | 132.3 Ų | 132.3 | 75% | 0.75 | 77% | 0.769 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -148.3 | 5.8 | -174.2 | -105.7 | -76.9 | 0 | 0 | 0 | 114.5 | S1032 | S1032-F1034 PolarHBondContact O-N 3.09Š|
| 1035 | N | 27.6 | Very low | 28.6 | Very low | 157 Ų | 157 | 132.2 Ų | 132.2 | 84% | 0.84 | 77% | 0.766 | S | S | * | * | trans | -132.8 | 41.7 | -159.9 | -145.2 | 64.5 | 0 | 0 | 0 | 114.4 | ||||
| 1036 | G | 27.3 | Very low | 28.7 | Very low | 71 Ų | 71 | 135.2 Ų | 135.2 | 73% | 0.732 | 77% | 0.773 | S | S | * | * | trans | -140.6 | 27.1 | -163.7 | 0 | 0 | 0 | 0 | 0 | 118.9 | ||||
| 1037 | F | 30.5 | Very low | 28.7 | Very low | 183 Ų | 183 | 136 Ų | 136 | 80% | 0.803 | 78% | 0.776 | S | S | * | * | S | Bend | trans | -154 | 44.5 | 174.5 | -142.6 | -95.7 | 0 | 0 | 0 | 117.1 | ||
| 1038 | L | 28.8 | Very low | 28.7 | Very low | 176 Ų | 176 | 139.3 Ų | 139.3 | 92% | 0.921 | 78% | 0.784 | S | S | * | * | S | Bend | trans | -132.3 | 18.9 | -177.9 | -79.2 | 179.1 | 0 | 0 | 0 | 117 | ||
| 1039 | T | 27.3 | Very low | 28.7 | Very low | 146 Ų | 146 | 136.1 Ų | 136.1 | 90% | 0.896 | 78% | 0.784 | S | S | * | * | S | Bend | trans | -133.6 | 22 | -175.8 | -29.6 | 0 | 0 | 0 | 0 | 114.5 | ||
| 1040 | A | 27.2 | Very low | 29.3 | Very low | 102 Ų | 102 | 133.9 Ų | 133.9 | 84% | 0.843 | 77% | 0.774 | S | S | * | * | S | Bend | trans | -141.4 | 38.2 | -170.9 | 0 | 0 | 0 | 0 | 0 | 115.5 | ||
| 1041 | A | 28 | Very low | 29.9 | Very low | 98 Ų | 98 | 133.1 Ų | 133.1 | 81% | 0.81 | 77% | 0.771 | S | S | * | * | trans | -158.9 | 55.9 | 169.9 | 0 | 0 | 0 | 0 | 0 | 112.9 | G1043 | A1041-G1043 PolarHBondContact O-N 2.83Å; A1041-G1043 VanDerWaalsContact O-N 3.17Å | ||
| 1042 | S | 25.5 | Very low | 30.6 | Very low | 138 Ų | 138 | 130.5 Ų | 130.5 | 97% | 0.965 | 76% | 0.762 | S | S | * | * | trans | -79.9 | 94.5 | 171.3 | -165.8 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 1043 | G | 27 | Very low | 31.2 | Very low | 64 Ų | 64 | 129.2 Ų | 129.2 | 66% | 0.66 | 76% | 0.757 | S | S | * | * | trans | -147.5 | 64.9 | -159.1 | 0 | 0 | 0 | 0 | 0 | 116.5 | A1041 | A1041-G1043 PolarHBondContact O-N 2.83Å; A1041-G1043 VanDerWaalsContact O-N 3.17Å | ||
| 1044 | H | 27.9 | Very low | 31.9 | Very low | 189 Ų | 189 | 127.8 Ų | 127.8 | 88% | 0.875 | 76% | 0.759 | S | S | * | * | trans | 69.3 | 154.9 | 146.9 | -99.5 | 77.8 | 0 | 0 | 0 | 121.9 | ||||
| 1045 | V | 28.9 | Very low | 32.7 | Very low | 116 Ų | 116 | 124 Ų | 124 | 70% | 0.703 | 75% | 0.746 | S | S | * | * | trans | 83.7 | 93.4 | 155.6 | 174.4 | 0 | 0 | 0 | 0 | 120.7 | ||||
| 1046 | I | 30.3 | Very low | 33.8 | Very low | 152 Ų | 152 | 118.9 Ų | 118.9 | 78% | 0.779 | 73% | 0.726 | S | S | * | * | 65.3 | 127.4 | 125.8 | -59.6 | 171.7 | 0 | 0 | 0 | 120.9 | |||||
| 1047 | T | 28 | Very low | 35 | Very low | 131 Ų | 131 | 117.8 Ų | 117.8 | 80% | 0.804 | 71% | 0.71 | S | S | * | * | trans | -83.6 | 133.4 | 167.5 | 42.7 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 1048 | K | 30.1 | Very low | 36.5 | Very low | 212 Ų | 212 | 111 Ų | 111 | 92% | 0.922 | 69% | 0.688 | S | S | * | * | trans | -168.4 | 119 | 152.1 | -110.8 | 167.4 | -175.6 | 179.3 | 0 | 109.1 | ||||
| 1049 | G | 29.5 | Very low | 38.2 | Very low | 67 Ų | 67 | 105 Ų | 105 | 69% | 0.691 | 66% | 0.663 | S | S | * | * | trans | -176.4 | 50.5 | -168.6 | 0 | 0 | 0 | 0 | 0 | 117.5 | ||||
| 1050 | S | 39 | Very low | 39.7 | Very low | 97 Ų | 97 | 100 Ų | 100 | 68% | 0.678 | 64% | 0.636 | S | S | * | * | S | Bend | trans | -93.3 | -50.1 | 164.9 | 50.6 | 0 | 0 | 0 | 0 | 111.9 | A1053 | S1050-A1053 PolarHBondContact O-N 2.87Š|
| 1051 | Q | 41.5 | Very low | 41.5 | Very low | 122 Ų | 122 | 101.7 Ų | 101.7 | 57% | 0.57 | 63% | 0.627 | S | S | * | * | H | α-helix | trans | -70.8 | -38.8 | -170.7 | -156.3 | 64.4 | 26.6 | 0 | 0 | 114.6 | A1053 V1054 N1055 | Q1051-A1053 PolarHBondContact O-N 3.33Å; Q1051-V1054 PolarHBondContact O-N 2.78Å; Q1051-N1055 PolarHBondContact O-N 2.79Å; Q1051-N1055 VanDerWaalsContact O-N 3.17Å; Q1051-N1055 PolarHBondContact O-OD1 2.62Å |
| 1052 | H | 41.7 | Very low | 43.3 | Very low | 156 Ų | 156 | 102.2 Ų | 102.2 | 72% | 0.722 | 62% | 0.616 | S | S | * | * | H | α-helix | trans | -65.4 | -24.8 | -178.8 | -89.9 | 18.3 | 0 | 0 | 0 | 113.7 | A1056 | H1052-A1056 WeakPolarHBondContact O-CB 3.46Å; H1052-A1056 PolarHBondContact O-N 3.35Å |
| 1053 | A | 41.8 | Very low | 45 | Very low | 66 Ų | 66 | 99.4 Ų | 99.4 | 55% | 0.545 | 60% | 0.597 | S | S | . | * | H | α-helix | trans | -69.1 | -40 | 175.1 | 0 | 0 | 0 | 0 | 0 | 111.7 | S1050 Q1051 A1056 A1057 | S1050-A1053 PolarHBondContact O-N 2.87Å; Q1051-A1053 PolarHBondContact O-N 3.33Å; A1053-A1056 PolarHBondContact O-N 3.1Å; A1053-A1057 PolarHBondContact O-N 3.25Å; A1053-A1057 VanDerWaalsContact O-N 3.09Å |
| 1054 | V | 49.1 | Very low | 46.8 | Very low | 70 Ų | 70 | 98.7 Ų | 98.7 | 42% | 0.424 | 58% | 0.584 | S | S | . | * | H | α-helix | trans | -66.4 | -49.8 | 176.8 | -177.1 | 0 | 0 | 0 | 0 | 110.3 | Q1051 A1056 A1057 A1058 | Q1051-V1054 PolarHBondContact O-N 2.78Å; V1054-A1056 VanDerWaalsContact C-N 3.26Å; V1054-A1056 PolarHBondContact O-N 3.35Å; V1054-A1057 WeakPolarHBondContact O-CB 3.32Å; V1054-A1057 PolarHBondContact O-N 2.84Å; V1054-A1058 PolarHBondContact O-N 2.8Å |
| 1055 | N | 50.6 | Low | 48.8 | Very low | 90 Ų | 90 | 92.6 Ų | 92.6 | 48% | 0.481 | 57% | 0.567 | S | S | . | * | H | α-helix | trans | -62.1 | -33.5 | 178.1 | -65 | 28.9 | 0 | 0 | 0 | 112.1 | Q1051 A1057 A1059 | Q1051-N1055 PolarHBondContact O-N 2.79Å; Q1051-N1055 VanDerWaalsContact O-N 3.17Å; Q1051-N1055 PolarHBondContact O-OD1 2.62Å; N1055-A1057 VanDerWaalsContact C-N 3.33Å; N1055-A1059 VanDerWaalsContact O-CB 3.3Å; N1055-A1059 WeakPolarHBondContact O-CB 3.47Å; N1055-A1059 PolarHBondContact O-N 2.8Å |
| 1056 | A | 48.8 | Very low | 50.7 | Low | 51 Ų | 51 | 92.4 Ų | 92.4 | 42% | 0.421 | 56% | 0.561 | S | S | . | * | H | α-helix | trans | -75.4 | -18.2 | 175.7 | 0 | 0 | 0 | 0 | 0 | 114.2 | H1052 A1053 V1054 A1060 | H1052-A1056 WeakPolarHBondContact O-CB 3.46Å; H1052-A1056 PolarHBondContact O-N 3.35Å; A1053-A1056 PolarHBondContact O-N 3.1Å; V1054-A1056 VanDerWaalsContact C-N 3.26Å; V1054-A1056 PolarHBondContact O-N 3.35Å; A1056-A1060 WeakPolarHBondContact O-CB 3.3Å |
| 1057 | A | 53.1 | Low | 52.2 | Low | 47 Ų | 47 | 87.6 Ų | 87.6 | 39% | 0.388 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -82.8 | -48.3 | 170.3 | 0 | 0 | 0 | 0 | 0 | 110.9 | A1053 V1054 N1055 A1059 A1060 Q1061 | A1053-A1057 PolarHBondContact O-N 3.25Å; A1053-A1057 VanDerWaalsContact O-N 3.09Å; V1054-A1057 WeakPolarHBondContact O-CB 3.32Å; V1054-A1057 PolarHBondContact O-N 2.84Å; N1055-A1057 VanDerWaalsContact C-N 3.33Å; A1057-A1059 PolarHBondContact O-N 3.13Å; A1057-A1060 CarbonylContact O-C 3.51Å; A1057-A1060 WeakPolarHBondContact O-CA 3.48Å; A1057-A1060 WeakPolarHBondContact O-CB 3.42Å; A1057-A1060 PolarHBondContact O-N 2.86Å; A1057-Q1061 PolarHBondContact O-N 2.99Å |
| 1058 | A | 63.3 | Low | 54 | Low | 42 Ų | 42 | 86.5 Ų | 86.5 | 35% | 0.347 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -54.9 | -53.1 | 174.2 | 0 | 0 | 0 | 0 | 0 | 111.3 | V1054 A1060 Q1061 D1062 | V1054-A1058 PolarHBondContact O-N 2.8Å; A1058-A1060 PolarHBondContact O-N 3.14Å; A1058-Q1061 CarbonylContact O-C 3.54Å; A1058-Q1061 WeakPolarHBondContact O-CA 3.41Å; A1058-Q1061 WeakPolarHBondContact O-CB 3.44Å; A1058-Q1061 PolarHBondContact O-N 3.33Å; A1058-D1062 PolarHBondContact O-N 3.33Å |
| 1059 | A | 62.9 | Low | 55.7 | Low | 48 Ų | 48 | 79.7 Ų | 79.7 | 40% | 0.397 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -62.5 | -19.4 | 176.7 | 0 | 0 | 0 | 0 | 0 | 114 | N1055 A1057 S1063 | N1055-A1059 VanDerWaalsContact O-CB 3.3Å; N1055-A1059 WeakPolarHBondContact O-CB 3.47Å; N1055-A1059 PolarHBondContact O-N 2.8Å; A1057-A1059 PolarHBondContact O-N 3.13Å; A1059-S1063 VanDerWaalsContact O-CB 3.32Å; A1059-S1063 WeakPolarHBondContact O-CB 3.18Å; A1059-S1063 PolarHBondContact O-N 3.47Å; A1059-S1063 VanDerWaalsContact O-N 3.09Å; A1059-S1063 PolarHBondContact O-OG 3.19Å |
| 1060 | A | 58.8 | Low | 57.4 | Low | 41 Ų | 41 | 80.8 Ų | 80.8 | 34% | 0.339 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -83.2 | -31.6 | 171.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | A1056 A1057 A1058 A1064 | A1056-A1060 WeakPolarHBondContact O-CB 3.3Å; A1057-A1060 CarbonylContact O-C 3.51Å; A1057-A1060 WeakPolarHBondContact O-CA 3.48Å; A1057-A1060 WeakPolarHBondContact O-CB 3.42Å; A1057-A1060 PolarHBondContact O-N 2.86Å; A1058-A1060 PolarHBondContact O-N 3.14Å; A1060-A1064 WeakPolarHBondContact O-CB 3.39Å; A1060-A1064 PolarHBondContact O-N 3.33Å |
| 1061 | Q | 66.3 | Low | 58.3 | Low | 139 Ų | 139 | 83.4 Ų | 83.4 | 65% | 0.65 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -68.7 | -44.4 | 168.9 | -67.2 | 174.8 | -87.8 | 0 | 0 | 110.6 | A1057 A1058 S1063 A1064 A1065 | A1057-Q1061 PolarHBondContact O-N 2.99Å; A1058-Q1061 CarbonylContact O-C 3.54Å; A1058-Q1061 WeakPolarHBondContact O-CA 3.41Å; A1058-Q1061 WeakPolarHBondContact O-CB 3.44Å; A1058-Q1061 PolarHBondContact O-N 3.33Å; Q1061-S1063 VanDerWaalsContact C-N 3.34Å; Q1061-S1063 PolarHBondContact O-N 2.81Å; Q1061-A1064 CarbonylContact O-C 3.32Å; Q1061-A1064 PolarHBondContact O-N 3.18Å; Q1061-A1064 VanDerWaalsContact O-N 3.08Å; Q1061-A1065 WeakPolarHBondContact O-CB 3.38Å; Q1061-A1065 PolarHBondContact O-N 2.85Å |
| 1062 | D | 65.4 | Low | 59.1 | Low | 108 Ų | 108 | 79.9 Ų | 79.9 | 58% | 0.578 | 49% | 0.491 | S | S | * | . | H | α-helix | trans | -59.7 | -44 | 173.3 | -59.6 | -29.4 | 0 | 0 | 0 | 111.1 | A1058 A1064 A1065 L1066 | A1058-D1062 PolarHBondContact O-N 3.33Å; D1062-A1064 VanDerWaalsContact C-N 3.27Å; D1062-A1064 PolarHBondContact O-N 3.25Å; D1062-A1065 PolarHBondContact O-N 2.77Å; D1062-L1066 WeakPolarHBondContact O-CB 3.36Å; D1062-L1066 PolarHBondContact O-N 3.18Å |
| 1063 | S | 61.1 | Low | 59.7 | Low | 80 Ų | 80 | 77.5 Ų | 77.5 | 56% | 0.559 | 48% | 0.479 | S | S | * | . | H | α-helix | trans | -62.5 | -33.5 | 174.9 | -62.3 | 0 | 0 | 0 | 0 | 112.7 | A1059 Q1061 A1067 | A1059-S1063 VanDerWaalsContact O-CB 3.32Å; A1059-S1063 WeakPolarHBondContact O-CB 3.18Å; A1059-S1063 PolarHBondContact O-N 3.47Å; A1059-S1063 VanDerWaalsContact O-N 3.09Å; A1059-S1063 PolarHBondContact O-OG 3.19Å; Q1061-S1063 VanDerWaalsContact C-N 3.34Å; Q1061-S1063 PolarHBondContact O-N 2.81Å; S1063-A1067 WeakPolarHBondContact O-CB 3.49Å; S1063-A1067 PolarHBondContact O-N 3.47Å |
| 1064 | A | 65.1 | Low | 59.9 | Low | 48 Ų | 48 | 78.6 Ų | 78.6 | 40% | 0.397 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -76.7 | -41.8 | 177 | 0 | 0 | 0 | 0 | 0 | 111.8 | A1060 Q1061 D1062 L1066 A1067 I1068 | A1060-A1064 WeakPolarHBondContact O-CB 3.39Å; A1060-A1064 PolarHBondContact O-N 3.33Å; Q1061-A1064 CarbonylContact O-C 3.32Å; Q1061-A1064 PolarHBondContact O-N 3.18Å; Q1061-A1064 VanDerWaalsContact O-N 3.08Å; D1062-A1064 VanDerWaalsContact C-N 3.27Å; D1062-A1064 PolarHBondContact O-N 3.25Å; A1064-L1066 VanDerWaalsContact C-N 3.33Å; A1064-A1067 PolarHBondContact O-N 2.97Å; A1064-I1068 WeakPolarHBondContact O-CB 3.4Å; A1064-I1068 VanDerWaalsContact O-CG1 3.26Å; A1064-I1068 WeakPolarHBondContact O-CG1 3.42Å; A1064-I1068 PolarHBondContact O-N 3.3Å |
| 1065 | A | 69 | Low | 59.7 | Low | 61 Ų | 61 | 83.4 Ų | 83.4 | 50% | 0.504 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -62.6 | -40.4 | 174 | 0 | 0 | 0 | 0 | 0 | 111.2 | Q1061 D1062 I1068 S1069 | Q1061-A1065 WeakPolarHBondContact O-CB 3.38Å; Q1061-A1065 PolarHBondContact O-N 2.85Å; D1062-A1065 PolarHBondContact O-N 2.77Å; A1065-I1068 PolarHBondContact O-N 2.99Å; A1065-S1069 WeakPolarHBondContact O-CB 3.48Å; A1065-S1069 PolarHBondContact O-N 3.03Å |
| 1066 | L | 69.4 | Low | 59.4 | Low | 112 Ų | 112 | 83.5 Ų | 83.5 | 59% | 0.586 | 49% | 0.494 | S | S | * | . | H | α-helix | trans | -74.2 | -32.9 | 176.6 | -166.7 | 144.3 | 0 | 0 | 0 | 112.2 | D1062 A1064 S1069 I1070 | D1062-L1066 WeakPolarHBondContact O-CB 3.36Å; D1062-L1066 PolarHBondContact O-N 3.18Å; A1064-L1066 VanDerWaalsContact C-N 3.33Å; L1066-S1069 PolarHBondContact O-N 3.08Å; L1066-I1070 HydrophobicContact CD2-CD1 3.6Å; L1066-I1070 HydrophobicContact CD2-CG1 4.3Å; L1066-I1070 WeakPolarHBondContact O-CB 3.44Å; L1066-I1070 VanDerWaalsContact O-CG1 3.32Å; L1066-I1070 WeakPolarHBondContact O-CG1 3.42Å; L1066-I1070 PolarHBondContact O-N 3.31Å |
| 1067 | A | 61.7 | Low | 59 | Low | 52 Ų | 52 | 87.3 Ų | 87.3 | 43% | 0.43 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -68.2 | -38.4 | 170.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | S1063 A1064 Q1071 | S1063-A1067 WeakPolarHBondContact O-CB 3.49Å; S1063-A1067 PolarHBondContact O-N 3.47Å; A1064-A1067 PolarHBondContact O-N 2.97Å; A1067-Q1071 WeakPolarHBondContact O-CB 3.44Å; A1067-Q1071 WeakPolarHBondContact O-CG 3.41Å; A1067-Q1071 PolarHBondContact O-N 3.33Å |
| 1068 | I | 65.6 | Low | 58.1 | Low | 108 Ų | 108 | 90.6 Ų | 90.6 | 55% | 0.554 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -68.1 | -42.5 | 172.3 | -69.1 | 165.1 | 0 | 0 | 0 | 109.9 | A1064 A1065 I1070 Q1071 S1072 | A1064-I1068 WeakPolarHBondContact O-CB 3.4Å; A1064-I1068 VanDerWaalsContact O-CG1 3.26Å; A1064-I1068 WeakPolarHBondContact O-CG1 3.42Å; A1064-I1068 PolarHBondContact O-N 3.3Å; A1065-I1068 PolarHBondContact O-N 2.99Å; I1068-I1070 VanDerWaalsContact C-N 3.34Å; I1068-I1070 PolarHBondContact O-N 3.05Å; I1068-Q1071 CarbonylContact O-C 3.25Å; I1068-Q1071 PolarHBondContact O-N 3.04Å; I1068-Q1071 VanDerWaalsContact O-N 3.08Å; I1068-S1072 PolarHBondContact O-N 3.29Å; I1068-S1072 PolarHBondContact O-OG 3.47Å |
| 1069 | S | 66.5 | Low | 56.7 | Low | 68 Ų | 68 | 91.4 Ų | 91.4 | 48% | 0.476 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -62.7 | -37.7 | 175.6 | 178.6 | 0 | 0 | 0 | 0 | 112.1 | A1065 L1066 K1073 | A1065-S1069 WeakPolarHBondContact O-CB 3.48Å; A1065-S1069 PolarHBondContact O-N 3.03Å; L1066-S1069 PolarHBondContact O-N 3.08Å; S1069-K1073 WeakPolarHBondContact O-CB 3.31Å; S1069-K1073 PolarHBondContact O-N 2.96Å |
| 1070 | I | 65 | Low | 55.1 | Low | 91 Ų | 91 | 96.1 Ų | 96.1 | 47% | 0.467 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -69.8 | -36.1 | 171 | -71.3 | 174.2 | 0 | 0 | 0 | 111.3 | L1066 I1068 C1074 | L1066-I1070 HydrophobicContact CD2-CD1 3.6Å; L1066-I1070 HydrophobicContact CD2-CG1 4.3Å; L1066-I1070 WeakPolarHBondContact O-CB 3.44Å; L1066-I1070 VanDerWaalsContact O-CG1 3.32Å; L1066-I1070 WeakPolarHBondContact O-CG1 3.42Å; L1066-I1070 PolarHBondContact O-N 3.31Å; I1068-I1070 VanDerWaalsContact C-N 3.34Å; I1068-I1070 PolarHBondContact O-N 3.05Å; I1070-C1074 WeakPolarHBondContact O-CB 3.49Å; I1070-C1074 PolarHBondContact O-N 2.9Å; I1070-C1074 PolarHBondContact O-SG 3.28Å |
| 1071 | Q | 57.3 | Low | 53.7 | Low | 151 Ų | 151 | 99.3 Ų | 99.3 | 71% | 0.706 | 57% | 0.568 | S | S | * | * | H | α-helix | trans | -72.8 | -29.6 | 175.2 | -78 | -164.1 | -37.6 | 0 | 0 | 114.1 | A1067 I1068 K1075 | A1067-Q1071 WeakPolarHBondContact O-CB 3.44Å; A1067-Q1071 WeakPolarHBondContact O-CG 3.41Å; A1067-Q1071 PolarHBondContact O-N 3.33Å; I1068-Q1071 CarbonylContact O-C 3.25Å; I1068-Q1071 PolarHBondContact O-N 3.04Å; I1068-Q1071 VanDerWaalsContact O-N 3.08Å; Q1071-K1075 VanDerWaalsContact O-CB 3.25Å; Q1071-K1075 WeakPolarHBondContact O-CB 3.37Å |
| 1072 | S | 59.5 | Low | 52 | Low | 49 Ų | 49 | 101.8 Ų | 101.8 | 34% | 0.343 | 58% | 0.577 | S | S | . | * | H | α-helix | trans | -71.4 | -50.7 | 167.4 | -65.7 | 0 | 0 | 0 | 0 | 109.9 | I1068 C1074 K1075 E1076 | I1068-S1072 PolarHBondContact O-N 3.29Å; I1068-S1072 PolarHBondContact O-OG 3.47Å; S1072-C1074 PolarHBondContact O-N 2.96Å; S1072-K1075 CarbonylContact O-C 3.55Å; S1072-K1075 VanDerWaalsContact O-CA 3.27Å; S1072-K1075 WeakPolarHBondContact O-CA 2.87Å; S1072-K1075 VanDerWaalsContact O-CB 3.32Å; S1072-K1075 WeakPolarHBondContact O-CB 3.42Å; S1072-K1075 PolarHBondContact O-N 3.49Å; S1072-E1076 WeakPolarHBondContact O-CB 3.41Å; S1072-E1076 WeakPolarHBondContact O-CG 3.4Å; S1072-E1076 PolarHBondContact O-N 3.15Å |
| 1073 | K | 52.6 | Low | 50.4 | Low | 106 Ų | 106 | 104.1 Ų | 104.1 | 46% | 0.461 | 59% | 0.589 | S | S | . | * | H | α-helix | trans | -66.6 | -38.5 | -175.4 | -172.5 | 157.7 | 177.6 | 164.5 | 0 | 113.2 | S1069 K1075 E1076 E1077 | S1069-K1073 WeakPolarHBondContact O-CB 3.31Å; S1069-K1073 PolarHBondContact O-N 2.96Å; K1073-K1075 PolarHBondContact O-N 3.11Å; K1073-K1075 VanDerWaalsContact O-N 3.15Å; K1073-E1076 PolarHBondContact O-N 3.18Å; K1073-E1077 WeakPolarHBondContact CE-OE1 3.4Å; K1073-E1077 HydrophobicContact CG-CG 3.93Å; K1073-E1077 IonicContact NZ-OE1 3.12Å; K1073-E1077 PolarHBondContact NZ-OE1 3.44Å; K1073-E1077 VanDerWaalsContact O-CB 3.27Å; K1073-E1077 WeakPolarHBondContact O-CB 3.42Å; K1073-E1077 WeakPolarHBondContact O-CG 3.43Å; K1073-E1077 PolarHBondContact O-N 3.47Å |
| 1074 | C | 46.1 | Very low | 49.1 | Very low | 89 Ų | 89 | 109.7 Ų | 109.7 | 60% | 0.601 | 61% | 0.606 | S | S | * | * | H | α-helix | trans | -72.1 | 0.4 | 169.3 | -65.1 | 0 | 0 | 0 | 0 | 114.1 | I1070 S1072 | I1070-C1074 WeakPolarHBondContact O-CB 3.49Å; I1070-C1074 PolarHBondContact O-N 2.9Å; I1070-C1074 PolarHBondContact O-SG 3.28Å; S1072-C1074 PolarHBondContact O-N 2.96Å |
| 1075 | K | 46.2 | Very low | 47.6 | Very low | 170 Ų | 170 | 115.7 Ų | 115.7 | 74% | 0.739 | 63% | 0.626 | S | S | * | * | H | α-helix | trans | -113.6 | -18.7 | 173.6 | -164.6 | 177.3 | -178.3 | -171.4 | 0 | 112.3 | Q1071 S1072 K1073 | Q1071-K1075 VanDerWaalsContact O-CB 3.25Å; Q1071-K1075 WeakPolarHBondContact O-CB 3.37Å; S1072-K1075 CarbonylContact O-C 3.55Å; S1072-K1075 VanDerWaalsContact O-CA 3.27Å; S1072-K1075 WeakPolarHBondContact O-CA 2.87Å; S1072-K1075 VanDerWaalsContact O-CB 3.32Å; S1072-K1075 WeakPolarHBondContact O-CB 3.42Å; S1072-K1075 PolarHBondContact O-N 3.49Å; K1073-K1075 PolarHBondContact O-N 3.11Å; K1073-K1075 VanDerWaalsContact O-N 3.15Å |
| 1076 | E | 43.3 | Very low | 45.6 | Very low | 92 Ų | 92 | 120.6 Ų | 120.6 | 43% | 0.43 | 64% | 0.638 | S | S | . | * | H | α-helix | trans | -91.5 | -39.4 | 172.5 | -69.6 | 158.1 | 165.1 | 0 | 0 | 110.9 | S1072 K1073 C1078 G1079 Q1080 | S1072-E1076 WeakPolarHBondContact O-CB 3.41Å; S1072-E1076 WeakPolarHBondContact O-CG 3.4Å; S1072-E1076 PolarHBondContact O-N 3.15Å; K1073-E1076 PolarHBondContact O-N 3.18Å; E1076-C1078 PolarHBondContact O-N 3.33Å; E1076-C1078 VanDerWaalsContact O-N 3.09Å; E1076-G1079 CarbonylContact O-C 3.55Å; E1076-G1079 WeakPolarHBondContact O-CA 3.33Å; E1076-G1079 PolarHBondContact O-N 2.94Å; E1076-Q1080 HydrophobicContact CB-CG 4.39Å; E1076-Q1080 WeakPolarHBondContact O-CB 3.42Å; E1076-Q1080 WeakPolarHBondContact O-CG 3.39Å; E1076-Q1080 PolarHBondContact O-N 3.3Å |
| 1077 | E | 41.3 | Very low | 43.7 | Very low | 131 Ų | 131 | 123.5 Ų | 123.5 | 61% | 0.612 | 65% | 0.649 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -71.6 | 2.8 | 170.7 | -67.3 | -178 | 145.9 | 0 | 0 | 113.2 | K1073 | K1073-E1077 WeakPolarHBondContact CE-OE1 3.4Å; K1073-E1077 HydrophobicContact CG-CG 3.93Å; K1073-E1077 IonicContact NZ-OE1 3.12Å; K1073-E1077 PolarHBondContact NZ-OE1 3.44Å; K1073-E1077 VanDerWaalsContact O-CB 3.27Å; K1073-E1077 WeakPolarHBondContact O-CB 3.42Å; K1073-E1077 WeakPolarHBondContact O-CG 3.43Å; K1073-E1077 PolarHBondContact O-N 3.47Å |
| 1078 | C | 34.1 | Very low | 42.2 | Very low | 117 Ų | 117 | 126.9 Ų | 126.9 | 79% | 0.791 | 66% | 0.66 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -112.4 | 17.7 | 164.9 | -155 | 0 | 0 | 0 | 0 | 111.7 | E1076 | E1076-C1078 PolarHBondContact O-N 3.33Å; E1076-C1078 VanDerWaalsContact O-N 3.09Å |
| 1079 | G | 34.3 | Very low | 40.5 | Very low | 59 Ų | 59 | 129.1 Ų | 129.1 | 61% | 0.608 | 67% | 0.668 | S | S | * | * | S | Bend | trans | -169.1 | 35.2 | -170.3 | 0 | 0 | 0 | 0 | 0 | 114.5 | E1076 | E1076-G1079 CarbonylContact O-C 3.55Å; E1076-G1079 WeakPolarHBondContact O-CA 3.33Å; E1076-G1079 PolarHBondContact O-N 2.94Å |
| 1080 | Q | 29.1 | Very low | 38.7 | Very low | 147 Ų | 147 | 135.5 Ų | 135.5 | 69% | 0.687 | 69% | 0.687 | S | S | * | * | trans | -135.2 | 88.7 | 175.3 | -80.1 | -171.5 | -28.3 | 0 | 0 | 111.6 | E1076 | E1076-Q1080 HydrophobicContact CB-CG 4.39Å; E1076-Q1080 WeakPolarHBondContact O-CB 3.42Å; E1076-Q1080 WeakPolarHBondContact O-CG 3.39Å; E1076-Q1080 PolarHBondContact O-N 3.3Å | ||
| 1081 | S | 28.3 | Very low | 37.2 | Very low | 107 Ų | 107 | 135.8 Ų | 135.8 | 75% | 0.748 | 70% | 0.695 | S | S | * | * | S | Bend | trans | -155.3 | 112.9 | 158.5 | 63.3 | 0 | 0 | 0 | 0 | 107.9 | ||
| 1082 | K | 31.7 | Very low | 35.9 | Very low | 192 Ų | 192 | 135.2 Ų | 135.2 | 84% | 0.835 | 70% | 0.696 | S | S | * | * | trans | 69.2 | 144.3 | -158.8 | -43.9 | 171.8 | -175.5 | 179.6 | 0 | 111.2 | ||||
| 1083 | D | 31.3 | Very low | 34.4 | Very low | 157 Ų | 157 | 139.5 Ų | 139.5 | 84% | 0.84 | 71% | 0.711 | S | S | * | * | cis | -110.9 | 145.9 | 10.9 | -54.3 | -61.4 | 0 | 0 | 0 | 113.1 | ||||
| 1084 | E | 32.9 | Very low | 33.3 | Very low | 196 Ų | 196 | 141.7 Ų | 141.7 | 92% | 0.916 | 72% | 0.723 | S | S | * | * | trans | -108.1 | 159.4 | 156.6 | -85.1 | -161.4 | 131.2 | 0 | 0 | 109.5 | ||||
| 1085 | H | 33.9 | Very low | 32.6 | Very low | 174 Ų | 174 | 144.9 Ų | 144.9 | 81% | 0.806 | 73% | 0.734 | S | S | * | * | trans | -51.5 | 146.2 | -161.6 | -109.2 | -85.8 | 0 | 0 | 0 | 117.4 | ||||
| 1086 | E | 28.4 | Very low | 32 | Very low | 164 Ų | 164 | 139.7 Ų | 139.7 | 77% | 0.766 | 73% | 0.728 | S | S | * | * | trans | -48.5 | 138.9 | 153.4 | -57 | 158.9 | 85.2 | 0 | 0 | 111.4 | ||||
| 1087 | Q | 28.6 | Very low | 31.5 | Very low | 173 Ų | 173 | 143 Ų | 143 | 81% | 0.808 | 75% | 0.749 | S | S | * | * | -169.3 | 156.6 | 108.6 | -103.8 | 167.7 | 21.5 | 0 | 0 | 114.2 | |||||
| 1088 | N | 30.7 | Very low | 31 | Very low | 123 Ų | 123 | 141.9 Ų | 141.9 | 66% | 0.658 | 76% | 0.756 | S | S | * | * | trans | 71.9 | 111 | 167.3 | -71.1 | 33.7 | 0 | 0 | 0 | 120.7 | ||||
| 1089 | E | 30.5 | Very low | 30.9 | Very low | 155 Ų | 155 | 140.2 Ų | 140.2 | 72% | 0.724 | 75% | 0.75 | S | S | * | * | trans | 76.2 | 86.4 | 131.2 | -63 | 175.1 | 107.7 | 0 | 0 | 119.2 | ||||
| 1090 | F | 27.9 | Very low | 30.6 | Very low | 202 Ų | 202 | 148 Ų | 148 | 89% | 0.886 | 76% | 0.762 | S | S | * | * | 25.7 | 158.6 | 99.2 | -77.8 | -81.9 | 0 | 0 | 0 | 119.5 | |||||
| 1091 | P | 33.1 | Very low | 30.6 | Very low | 98 Ų | 98 | 148.4 Ų | 148.4 | 64% | 0.636 | 77% | 0.767 | S | S | * | * | cis | -136.9 | -176.5 | 6 | 20.2 | 7 | 0 | 0 | 0 | 116.5 | ||||
| 1092 | L | 29.2 | Very low | 30.5 | Very low | 138 Ų | 138 | 148.3 Ų | 148.3 | 72% | 0.723 | 77% | 0.767 | S | S | * | * | trans | 76.7 | 144.5 | 158.8 | -61.3 | 125.9 | 0 | 0 | 0 | 119.2 | ||||
| 1093 | E | 28.3 | Very low | 30.4 | Very low | 140 Ų | 140 | 145.6 Ų | 145.6 | 65% | 0.654 | 76% | 0.761 | S | S | * | * | cis | -170.2 | 162.8 | -34.4 | -133.6 | 177.9 | -138.2 | 0 | 0 | 110.8 | ||||
| 1094 | Q | 30.8 | Very low | 30.1 | Very low | 151 Ų | 151 | 147.8 Ų | 147.8 | 71% | 0.706 | 76% | 0.759 | S | S | * | * | trans | 62 | 167.6 | 161.7 | -61.2 | 165.5 | 33.8 | 0 | 0 | 116.3 | ||||
| 1095 | D | 31.5 | Very low | 29.8 | Very low | 156 Ų | 156 | 144.1 Ų | 144.1 | 83% | 0.834 | 75% | 0.75 | S | S | * | * | cis | -159.3 | 154.2 | -47 | -96.3 | -26.9 | 0 | 0 | 0 | 105.2 | ||||
| 1096 | G | 32.8 | Very low | 29.5 | Very low | 61 Ų | 61 | 142 Ų | 142 | 63% | 0.629 | 75% | 0.75 | S | S | * | * | cis | 178.3 | -166.8 | -2.7 | 0 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 1097 | N | 31.8 | Very low | 29.5 | Very low | 162 Ų | 162 | 138.8 Ų | 138.8 | 87% | 0.866 | 75% | 0.745 | S | S | * | * | trans | 21.1 | 143.3 | 148.6 | -71.6 | -33.2 | 0 | 0 | 0 | 122.5 | ||||
| 1098 | S | 31.4 | Very low | 29.5 | Very low | 107 Ų | 107 | 134.4 Ų | 134.4 | 75% | 0.748 | 73% | 0.734 | S | S | * | * | cis | -175.1 | 169.1 | -6.1 | -166.5 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 1099 | A | 32.1 | Very low | 29.3 | Very low | 82 Ų | 82 | 134.7 Ų | 134.7 | 68% | 0.678 | 74% | 0.735 | S | S | * | * | trans | 70.7 | 106.5 | 149.3 | 0 | 0 | 0 | 0 | 0 | 123 | ||||
| 1100 | R | 29 | Very low | 29.3 | Very low | 224 Ų | 224 | 134.8 Ų | 134.8 | 85% | 0.845 | 74% | 0.736 | S | S | * | * | 80.8 | 117.1 | 126.7 | -78.7 | -175.1 | 161.3 | -168.4 | -4.4 | 122.5 | |||||
| 1101 | L | 27.6 | Very low | 29.4 | Very low | 154 Ų | 154 | 133 Ų | 133 | 81% | 0.806 | 73% | 0.734 | S | S | * | * | 62.3 | 92.8 | 127.4 | -65.6 | 167.5 | 0 | 0 | 0 | 119.3 | |||||
| 1102 | S | 27.7 | Very low | 29.2 | Very low | 105 Ų | 105 | 133.7 Ų | 133.7 | 73% | 0.734 | 74% | 0.736 | S | S | * | * | -165.7 | 148.2 | 115.6 | 55 | 0 | 0 | 0 | 0 | 112.9 | |||||
| 1103 | D | 27.9 | Very low | 29.2 | Very low | 136 Ų | 136 | 133.8 Ų | 133.8 | 73% | 0.727 | 73% | 0.733 | S | S | * | * | trans | 58.1 | 126.1 | 139.6 | -63.7 | -23.3 | 0 | 0 | 0 | 124.9 | ||||
| 1104 | Y | 25.7 | Very low | 29.1 | Very low | 203 Ų | 203 | 133 Ų | 133 | 80% | 0.796 | 73% | 0.733 | S | S | * | * | trans | 69.9 | 120.4 | 133 | -83.4 | -110.2 | 0 | 0 | 0 | 122.4 | ||||
| 1105 | V | 26 | Very low | 28.9 | Very low | 118 Ų | 118 | 138 Ų | 138 | 72% | 0.715 | 75% | 0.746 | S | S | * | * | trans | 56 | 92.7 | 134.4 | -175.9 | 0 | 0 | 0 | 0 | 117 | ||||
| 1106 | T | 29.4 | Very low | 28.8 | Very low | 131 Ų | 131 | 138.6 Ų | 138.6 | 80% | 0.804 | 74% | 0.741 | S | S | * | * | trans | -132.6 | 120.9 | 133.8 | -57.1 | 0 | 0 | 0 | 0 | 103.8 | ||||
| 1107 | S | 27.7 | Very low | 28.4 | Very low | 95 Ų | 95 | 141 Ų | 141 | 66% | 0.664 | 74% | 0.74 | S | S | * | * | 53.3 | 139.6 | 83.7 | -93.6 | 0 | 0 | 0 | 0 | 113.2 | |||||
| 1108 | S | 28.4 | Very low | 28.3 | Very low | 82 Ų | 82 | 142.2 Ų | 142.2 | 57% | 0.573 | 74% | 0.738 | S | S | * | * | cis | -161.9 | 153.3 | 2 | -117.4 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 1109 | N | 27.5 | Very low | 28.1 | Very low | 129 Ų | 129 | 143.8 Ų | 143.8 | 69% | 0.69 | 74% | 0.738 | S | S | * | * | trans | 51.9 | 173.6 | 136.2 | -55.9 | -11.3 | 0 | 0 | 0 | 122.4 | ||||
| 1110 | E | 29.6 | Very low | 27.9 | Very low | 157 Ų | 157 | 145.9 Ų | 145.9 | 73% | 0.734 | 74% | 0.736 | S | S | * | * | trans | 59.9 | 78.6 | 150.8 | -76 | 154.3 | -144.6 | 0 | 0 | 118.4 | ||||
| 1111 | L | 30.4 | Very low | 27.8 | Very low | 164 Ų | 164 | 140 Ų | 140 | 86% | 0.859 | 73% | 0.725 | S | S | * | * | -167.7 | 96.6 | 107.7 | -94 | 163 | 0 | 0 | 0 | 106.5 | |||||
| 1112 | V | 28.6 | Very low | 27.9 | Very low | 112 Ų | 112 | 141.3 Ų | 141.3 | 68% | 0.679 | 72% | 0.72 | S | S | * | * | cis | 54.4 | 132.2 | 49 | -170.4 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 1113 | E | 28.8 | Very low | 28.1 | Very low | 141 Ų | 141 | 143.7 Ų | 143.7 | 66% | 0.659 | 72% | 0.72 | S | S | * | * | trans | -15.6 | 122.4 | -178.3 | -52.3 | -169.2 | 119.1 | 0 | 0 | 117.5 | ||||
| 1114 | N | 25.6 | Very low | 28.2 | Very low | 122 Ų | 122 | 143.8 Ų | 143.8 | 65% | 0.652 | 72% | 0.716 | S | S | * | * | -179.1 | 96.6 | 112.9 | -96.7 | -59.4 | 0 | 0 | 0 | 113.4 | |||||
| 1115 | W | 27.3 | Very low | 28.6 | Very low | 256 Ų | 256 | 139 Ų | 139 | 97% | 0.97 | 70% | 0.704 | S | S | * | * | trans | -143.4 | 31.2 | 140.6 | -101.3 | 8.8 | 0 | 0 | 0 | 112.1 | ||||
| 1116 | K | 29 | Very low | 29 | Very low | 169 Ų | 169 | 140 Ų | 140 | 74% | 0.735 | 71% | 0.706 | S | S | * | * | S | Bend | trans | -89.6 | 73.1 | 149.2 | -72.1 | 178.8 | -174.1 | 161 | 0 | 108.3 | ||
| 1117 | N | 25.8 | Very low | 29.2 | Very low | 113 Ų | 113 | 137.7 Ų | 137.7 | 60% | 0.604 | 70% | 0.699 | S | S | * | * | trans | 179.1 | 90 | 157.5 | -94.7 | -31.9 | 0 | 0 | 0 | 111.2 | ||||
| 1118 | F | 29.8 | Very low | 29.5 | Very low | 186 Ų | 186 | 137.8 Ų | 137.8 | 82% | 0.816 | 70% | 0.696 | S | S | * | * | trans | -118.2 | 79.3 | 141.6 | -116.6 | -76.8 | 0 | 0 | 0 | 107.6 | I1120 | F1118-I1120 HydrophobicContact CD1-CD1 4.15Å; F1118-I1120 HydrophobicContact CD1-CG1 4.44Å; F1118-I1120 HydrophobicContact CE1-CD1 3.95Å | ||
| 1119 | N | 26.1 | Very low | 29.7 | Very low | 140 Ų | 140 | 138.9 Ų | 138.9 | 75% | 0.749 | 70% | 0.7 | S | S | * | * | trans | -103.9 | 91.2 | -175.4 | -151.8 | 5.2 | 0 | 0 | 0 | 107.6 | ||||
| 1120 | I | 27.5 | Very low | 29.9 | Very low | 126 Ų | 126 | 138.1 Ų | 138.1 | 65% | 0.646 | 70% | 0.7 | S | S | * | * | trans | -130.4 | 90.5 | -179.4 | -67.4 | -170.7 | 0 | 0 | 0 | 109.5 | F1118 | F1118-I1120 HydrophobicContact CD1-CD1 4.15Å; F1118-I1120 HydrophobicContact CD1-CG1 4.44Å; F1118-I1120 HydrophobicContact CE1-CD1 3.95Å | ||
| 1121 | V | 28.1 | Very low | 30 | Very low | 101 Ų | 101 | 135 Ų | 135 | 61% | 0.612 | 70% | 0.695 | S | S | * | * | trans | 59.1 | 136.2 | 142.2 | -135.7 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 1122 | Y | 29.8 | Very low | 30.1 | Very low | 181 Ų | 181 | 134.3 Ų | 134.3 | 71% | 0.71 | 69% | 0.693 | S | S | * | * | cis | -145.8 | 140.9 | 40.9 | -81 | -100.1 | 0 | 0 | 0 | 115 | ||||
| 1123 | E | 30.4 | Very low | 30.1 | Very low | 155 Ų | 155 | 135 Ų | 135 | 72% | 0.724 | 69% | 0.693 | S | S | * | * | trans | 70.6 | 144.4 | 137.5 | -65.9 | 173.6 | 166.8 | 0 | 0 | 120.4 | ||||
| 1124 | E | 31.7 | Very low | 30.2 | Very low | 139 Ų | 139 | 134.6 Ų | 134.6 | 65% | 0.65 | 69% | 0.694 | S | S | * | * | cis | -151.9 | 146.6 | 2.2 | -129.1 | -167.5 | 151.1 | 0 | 0 | 114.2 | ||||
| 1125 | N | 33.4 | Very low | 30.3 | Very low | 102 Ų | 102 | 134.7 Ų | 134.7 | 55% | 0.545 | 69% | 0.694 | S | S | . | * | trans | 65.2 | 129.5 | 146.5 | -64.1 | -23.3 | 0 | 0 | 0 | 125.9 | ||||
| 1126 | N | 33.5 | Very low | 30.5 | Very low | 140 Ų | 140 | 127.6 Ų | 127.6 | 75% | 0.749 | 68% | 0.679 | S | S | * | * | trans | 63.7 | 129.8 | 150.5 | -55.6 | -25.4 | 0 | 0 | 0 | 119.2 | ||||
| 1127 | A | 34.2 | Very low | 30.4 | Very low | 81 Ų | 81 | 126.6 Ų | 126.6 | 67% | 0.669 | 68% | 0.682 | S | S | * | * | cis | -164 | -174.8 | -9.1 | 0 | 0 | 0 | 0 | 0 | 106.9 | ||||
| 1128 | T | 33.2 | Very low | 30.6 | Very low | 98 Ų | 98 | 124.9 Ų | 124.9 | 60% | 0.601 | 68% | 0.679 | S | S | * | * | cis | -158.1 | 135.4 | 14.2 | -34.4 | 0 | 0 | 0 | 0 | 106.6 | ||||
| 1129 | T | 32.9 | Very low | 30.6 | Very low | 104 Ų | 104 | 124 Ų | 124 | 64% | 0.638 | 68% | 0.677 | S | S | * | * | 33.3 | 134.9 | 99.8 | -0.9 | 0 | 0 | 0 | 0 | 116.1 | |||||
| 1130 | T | 33.1 | Very low | 30.7 | Very low | 114 Ų | 114 | 122.7 Ų | 122.7 | 70% | 0.699 | 68% | 0.679 | S | S | * | * | cis | -153.4 | 128.9 | 18.3 | -36.9 | 0 | 0 | 0 | 0 | 106.6 | ||||
| 1131 | S | 30.6 | Very low | 30.8 | Very low | 91 Ų | 91 | 120.7 Ų | 120.7 | 64% | 0.636 | 68% | 0.676 | S | S | * | * | 73.6 | 139.6 | 58.8 | -44.2 | 0 | 0 | 0 | 0 | 115.7 | |||||
| 1132 | N | 31.7 | Very low | 31 | Very low | 150 Ų | 150 | 120.4 Ų | 120.4 | 80% | 0.802 | 68% | 0.675 | S | S | * | * | trans | 79.2 | 151 | 157.9 | -61.6 | -13.3 | 0 | 0 | 0 | 120.1 | ||||
| 1133 | N | 29.2 | Very low | 31.1 | Very low | 127 Ų | 127 | 115.5 Ų | 115.5 | 68% | 0.679 | 67% | 0.667 | S | S | * | * | cis | -174.1 | -177.7 | -30.7 | -157.4 | -3.7 | 0 | 0 | 0 | 107.7 | ||||
| 1134 | I | 31.4 | Very low | 31.3 | Very low | 132 Ų | 132 | 114.6 Ų | 114.6 | 68% | 0.677 | 66% | 0.662 | S | S | * | * | trans | 71.3 | 133.2 | 150.5 | -71.9 | 160.2 | 0 | 0 | 0 | 115.8 | ||||
| 1135 | N | 28.4 | Very low | 31.6 | Very low | 123 Ų | 123 | 112.6 Ų | 112.6 | 66% | 0.658 | 66% | 0.662 | S | S | * | * | cis | -169.4 | -171.3 | -11.5 | -114.8 | 6 | 0 | 0 | 0 | 108.9 | ||||
| 1136 | T | 30.3 | Very low | 31.7 | Very low | 107 Ų | 107 | 113.4 Ų | 113.4 | 66% | 0.656 | 68% | 0.675 | S | S | * | * | trans | 65.2 | 105.9 | 148.9 | 47.4 | 0 | 0 | 0 | 0 | 116.7 | ||||
| 1137 | D | 28.1 | Very low | 31.9 | Very low | 148 Ų | 148 | 112.2 Ų | 112.2 | 79% | 0.791 | 68% | 0.678 | S | S | * | * | 90.6 | 142.6 | 71.1 | -76.4 | -37 | 0 | 0 | 0 | 112.1 | |||||
| 1138 | S | 28.3 | Very low | 32.2 | Very low | 78 Ų | 78 | 114.5 Ų | 114.5 | 55% | 0.545 | 69% | 0.686 | S | S | . | * | cis | -167.7 | 173.3 | -17.2 | 60.7 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 1139 | Q | 30 | Very low | 32.2 | Very low | 168 Ų | 168 | 115 Ų | 115 | 79% | 0.785 | 69% | 0.693 | S | S | * | * | trans | 67.1 | 117.2 | 152.2 | -67.5 | 166.1 | 64.9 | 0 | 0 | 122.2 | ||||
| 1140 | S | 29.1 | Very low | 32.3 | Very low | 111 Ų | 111 | 121.1 Ų | 121.1 | 78% | 0.776 | 71% | 0.706 | S | S | * | * | trans | 73 | 150.4 | 130.7 | 72.2 | 0 | 0 | 0 | 0 | 122.3 | ||||
| 1141 | S | 29.8 | Very low | 32.3 | Very low | 84 Ų | 84 | 120.2 Ų | 120.2 | 59% | 0.587 | 70% | 0.704 | S | S | * | * | cis | -172.2 | 130 | -24.7 | 50.2 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 1142 | T | 31.4 | Very low | 32.4 | Very low | 96 Ų | 96 | 121.6 Ų | 121.6 | 59% | 0.589 | 71% | 0.713 | S | S | * | * | trans | 63.6 | 131.1 | 151.2 | 49.1 | 0 | 0 | 0 | 0 | 123.8 | N765 S766 | N765-T1142 CarbonylContact C-O 3.24Å; N765-T1142 VanDerWaalsContact C-O 3.24Å; N765-T1142 WeakPolarHBondContact CA-O 3.22Å; N765-T1142 PolarHBondContact N-O 3.19Å; S766-T1142 PolarHBondContact N-O 3.44Å; S766-T1142 CarbonylContact O-C 3.54Å; S766-T1142 VanDerWaalsContact O-C 3.32Å; S766-T1142 WeakPolarHBondContact O-CB 3.37Å | ||
| 1143 | S | 32 | Very low | 32.5 | Very low | 78 Ų | 78 | 121.6 Ų | 121.6 | 55% | 0.545 | 72% | 0.718 | S | S | . | * | trans | 177.7 | 144.4 | 163.1 | 51.4 | 0 | 0 | 0 | 0 | 112.3 | Q764 S766 | Q764-S1143 WeakPolarHBondContact O-CB 3.47Å; S766-S1143 WeakPolarHBondContact O-CA 3.21Å; S766-S1143 PolarHBondContact O-N 3.47Å | ||
| 1144 | Q | 35.5 | Very low | 32.7 | Very low | 135 Ų | 135 | 120.5 Ų | 120.5 | 63% | 0.631 | 72% | 0.72 | S | S | * | * | cis | 75.1 | 148.1 | -10.6 | -60.7 | -66.7 | -12.7 | 0 | 0 | 120.6 | ||||
| 1145 | P | 37.6 | Very low | 33 | Very low | 97 Ų | 97 | 122.2 Ų | 122.2 | 63% | 0.63 | 73% | 0.731 | S | S | * | * | cis | -137.4 | -177 | -0.7 | 44.4 | -27 | 0 | 0 | 0 | 119.3 | ||||
| 1146 | S | 34.8 | Very low | 33.2 | Very low | 119 Ų | 119 | 119.5 Ų | 119.5 | 83% | 0.832 | 73% | 0.732 | S | S | * | * | trans | 94 | 158 | 154.8 | 79.9 | 0 | 0 | 0 | 0 | 122.6 | ||||
| 1147 | S | 38.3 | Very low | 33.4 | Very low | 115 Ų | 115 | 120.9 Ų | 120.9 | 80% | 0.804 | 74% | 0.74 | S | S | * | * | trans | -161.4 | 166.7 | -166 | 42.6 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 1148 | P | 40.6 | Very low | 33.6 | Very low | 129 Ų | 129 | 118.2 Ų | 118.2 | 84% | 0.838 | 73% | 0.733 | S | S | * | * | trans | -129.3 | 179.9 | 163.5 | 39.3 | -25.3 | 0 | 0 | 0 | 115.2 | ||||
| 1149 | S | 33.1 | Very low | 33.6 | Very low | 108 Ų | 108 | 123.5 Ų | 123.5 | 76% | 0.755 | 75% | 0.746 | S | S | * | * | trans | -141.7 | 144.7 | -165.4 | -45.8 | 0 | 0 | 0 | 0 | 116.5 | ||||
| 1150 | Y | 35.6 | Very low | 33.8 | Very low | 234 Ų | 234 | 121.6 Ų | 121.6 | 92% | 0.918 | 75% | 0.746 | S | S | * | * | trans | -168 | 165.6 | 164.8 | -79.4 | -71.1 | 0 | 0 | 0 | 110.2 | ||||
| 1151 | S | 32.2 | Very low | 33.9 | Very low | 94 Ų | 94 | 123.6 Ų | 123.6 | 66% | 0.657 | 74% | 0.743 | S | S | * | * | cis | -172 | 136.5 | -46 | 54.6 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 1152 | C | 33 | Very low | 33.8 | Very low | 120 Ų | 120 | 126.4 Ų | 126.4 | 81% | 0.811 | 75% | 0.747 | S | S | * | * | trans | 43.9 | 123.4 | 150.4 | -57.6 | 0 | 0 | 0 | 0 | 124 | ||||
| 1153 | V | 34.7 | Very low | 33.7 | Very low | 150 Ų | 150 | 132.4 Ų | 132.4 | 91% | 0.909 | 76% | 0.76 | S | S | * | * | -150.2 | 150.1 | 124.2 | 178.1 | 0 | 0 | 0 | 0 | 108.1 | |||||
| 1154 | S | 33.5 | Very low | 33.6 | Very low | 104 Ų | 104 | 136.1 Ų | 136.1 | 73% | 0.727 | 77% | 0.769 | S | S | * | * | trans | -144.7 | 156.1 | -174.3 | -54.2 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 1155 | D | 37.1 | Very low | 33.3 | Very low | 168 Ų | 168 | 140.2 Ų | 140.2 | 90% | 0.898 | 78% | 0.78 | S | S | * | * | trans | -174.8 | 155.7 | 147.1 | -95.3 | -31 | 0 | 0 | 0 | 108.3 | ||||
| 1156 | G | 31.7 | Very low | 33 | Very low | 67 Ų | 67 | 143.9 Ų | 143.9 | 69% | 0.691 | 79% | 0.788 | S | S | * | * | cis | 119.7 | 129.6 | 14.9 | 0 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 1157 | V | 35.1 | Very low | 33.1 | Very low | 135 Ų | 135 | 142.6 Ų | 142.6 | 82% | 0.818 | 78% | 0.777 | S | S | * | * | cis | -157 | 141.1 | 17.5 | 160.7 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 1158 | S | 32.3 | Very low | 32.7 | Very low | 93 Ų | 93 | 145.3 Ų | 145.3 | 65% | 0.65 | 78% | 0.777 | S | S | * | * | trans | 22.9 | 134 | 148.5 | -56.3 | 0 | 0 | 0 | 0 | 126.4 | ||||
| 1159 | K | 29.2 | Very low | 32.4 | Very low | 189 Ų | 189 | 146.5 Ų | 146.5 | 82% | 0.822 | 78% | 0.776 | S | S | * | * | 47.2 | 132.6 | 125.6 | -55 | 174 | -178.1 | 176.9 | 0 | 121.4 | |||||
| 1160 | T | 32.8 | Very low | 32.4 | Very low | 127 Ų | 127 | 150.8 Ų | 150.8 | 78% | 0.779 | 78% | 0.784 | S | S | * | * | -178 | 160.3 | 107.1 | 24.1 | 0 | 0 | 0 | 0 | 114.2 | |||||
| 1161 | H | 32 | Very low | 32.2 | Very low | 153 Ų | 153 | 147.3 Ų | 147.3 | 71% | 0.708 | 78% | 0.775 | S | S | * | * | trans | 23.5 | 115 | 159.1 | -66.9 | -77.1 | 0 | 0 | 0 | 120.1 | ||||
| 1162 | Q | 27 | Very low | 32.3 | Very low | 143 Ų | 143 | 149.9 Ų | 149.9 | 67% | 0.668 | 78% | 0.781 | S | S | * | * | 71.8 | 104 | 74.2 | -179 | -169.7 | 9.4 | 0 | 0 | 113.7 | |||||
| 1163 | Y | 30.7 | Very low | 32.3 | Very low | 223 Ų | 223 | 150.2 Ų | 150.2 | 88% | 0.875 | 77% | 0.771 | S | S | * | * | trans | -167.4 | 160.5 | 133.9 | -100.6 | -64 | 0 | 0 | 0 | 111.7 | ||||
| 1164 | H | 28.4 | Very low | 32.2 | Very low | 156 Ų | 156 | 151.9 Ų | 151.9 | 72% | 0.722 | 76% | 0.762 | S | S | * | * | trans | -63.4 | 157.9 | 173.8 | -84.9 | 6.6 | 0 | 0 | 0 | 111.9 | ||||
| 1165 | Y | 30 | Very low | 32.3 | Very low | 221 Ų | 221 | 153.4 Ų | 153.4 | 87% | 0.867 | 76% | 0.757 | S | S | * | * | -151.6 | 161.7 | 58.5 | -108.7 | -89 | 0 | 0 | 0 | 116.7 | |||||
| 1166 | H | 30.2 | Very low | 31.9 | Very low | 174 Ų | 174 | 152.3 Ų | 152.3 | 81% | 0.806 | 75% | 0.746 | S | S | * | * | trans | -110.9 | -165 | -177.4 | -139.7 | 23.4 | 0 | 0 | 0 | 110.1 | ||||
| 1167 | P | 36.9 | Very low | 32 | Very low | 92 Ų | 92 | 154.7 Ų | 154.7 | 60% | 0.597 | 75% | 0.748 | S | S | * | * | trans | -112.5 | -171.5 | -141.6 | 37 | -17.4 | 0 | 0 | 0 | 114.2 | ||||
| 1168 | H | 30.9 | Very low | 31.9 | Very low | 172 Ų | 172 | 155.5 Ų | 155.5 | 80% | 0.796 | 74% | 0.743 | S | S | * | * | trans | 49 | 115.9 | 160.4 | -81.4 | -69.3 | 0 | 0 | 0 | 120.2 | ||||
| 1169 | N | 33.4 | Very low | 31.8 | Very low | 154 Ų | 154 | 156.9 Ų | 156.9 | 82% | 0.824 | 74% | 0.739 | S | S | * | * | trans | 31.9 | 111.4 | 146.3 | -69.5 | -5.7 | 0 | 0 | 0 | 119 | H1171 | N1169-H1171 PolarHBondContact O-N 2.84Š| ||
| 1170 | H | 33 | Very low | 31.8 | Very low | 198 Ų | 198 | 155.7 Ų | 155.7 | 92% | 0.917 | 74% | 0.736 | S | S | * | * | trans | -51.4 | 133 | 159.9 | -95.3 | -90.2 | 0 | 0 | 0 | 112.6 | ||||
| 1171 | H | 32.1 | Very low | 31.6 | Very low | 160 Ų | 160 | 153.2 Ų | 153.2 | 74% | 0.741 | 72% | 0.724 | S | S | * | * | trans | -98.1 | 129.3 | 166.8 | -172.5 | 11.5 | 0 | 0 | 0 | 109.5 | N1169 H1173 | N1169-H1171 PolarHBondContact O-N 2.84Å; H1171-H1173 PolarHBondContact ND1-N 3.37Å | ||
| 1172 | L | 34.4 | Very low | 31.6 | Very low | 148 Ų | 148 | 154.4 Ų | 154.4 | 78% | 0.775 | 73% | 0.729 | S | S | * | * | trans | -106.9 | 116.2 | 152.2 | -76 | 164 | 0 | 0 | 0 | 105.9 | ||||
| 1173 | H | 33.3 | Very low | 31.9 | Very low | 128 Ų | 128 | 155.5 Ų | 155.5 | 59% | 0.593 | 73% | 0.734 | S | S | * | * | 60.3 | 118.5 | 92.4 | -87.6 | 93.1 | 0 | 0 | 0 | 111.8 | H1171 | H1171-H1173 PolarHBondContact ND1-N 3.37Š| |||
| 1174 | Y | 32.4 | Very low | 31.9 | Very low | 185 Ų | 185 | 151.2 Ų | 151.2 | 73% | 0.725 | 73% | 0.725 | S | S | * | * | cis | -147.6 | 143.3 | 43.6 | -114.9 | -96.1 | 0 | 0 | 0 | 114.5 | ||||
| 1175 | H | 35.3 | Very low | 31.8 | Very low | 136 Ų | 136 | 148.7 Ų | 148.7 | 63% | 0.63 | 73% | 0.725 | S | S | * | * | trans | 48.5 | 124 | 155.2 | -77.3 | -124.9 | 0 | 0 | 0 | 120.6 | ||||
| 1176 | Q | 29.9 | Very low | 31.8 | Very low | 144 Ų | 144 | 142.3 Ų | 142.3 | 67% | 0.673 | 72% | 0.718 | S | S | * | * | 70.3 | 109.8 | 59.4 | -161 | -167.4 | 35.1 | 0 | 0 | 110.9 | |||||
| 1177 | T | 33.6 | Very low | 31.6 | Very low | 118 Ų | 118 | 140.1 Ų | 140.1 | 72% | 0.724 | 72% | 0.717 | S | S | * | * | -153.3 | 158.1 | 68.8 | 37.9 | 0 | 0 | 0 | 0 | 116.2 | |||||
| 1178 | H | 32.3 | Very low | 31.2 | Very low | 152 Ų | 152 | 141.3 Ų | 141.3 | 70% | 0.704 | 72% | 0.723 | S | S | * | * | trans | -1 | 156.8 | 134.6 | -68.1 | -26.5 | 0 | 0 | 0 | 120.5 | ||||
| 1179 | Q | 29.6 | Very low | 31 | Very low | 121 Ų | 121 | 139.2 Ų | 139.2 | 57% | 0.565 | 72% | 0.718 | S | S | * | * | cis | -167.3 | 158.5 | 0.4 | -117.2 | 169.5 | 51.4 | 0 | 0 | 109.8 | ||||
| 1180 | Q | 29.3 | Very low | 30.6 | Very low | 165 Ų | 165 | 138.8 Ų | 138.8 | 77% | 0.771 | 71% | 0.714 | S | S | * | * | trans | 61.8 | 161.2 | 148.3 | -71 | 171 | 6.2 | 0 | 0 | 118.4 | ||||
| 1181 | S | 28.5 | Very low | 30.3 | Very low | 74 Ų | 74 | 137.1 Ų | 137.1 | 52% | 0.517 | 71% | 0.707 | S | S | . | * | cis | -172.1 | 148.3 | -26.2 | 53 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 1182 | H | 31.8 | Very low | 30.2 | Very low | 178 Ų | 178 | 140 Ų | 140 | 82% | 0.824 | 72% | 0.718 | S | S | * | * | trans | 65 | 170.2 | 174.7 | -40.6 | -66.9 | 0 | 0 | 0 | 113.5 | ||||
| 1183 | H | 33.6 | Very low | 30 | Very low | 167 Ų | 167 | 139.6 Ų | 139.6 | 77% | 0.773 | 72% | 0.716 | S | S | * | * | cis | -148.4 | 163.9 | 9.1 | -167.9 | -108.1 | 0 | 0 | 0 | 111.6 | ||||
| 1184 | L | 31.6 | Very low | 29.8 | Very low | 132 Ų | 132 | 136.6 Ų | 136.6 | 69% | 0.691 | 71% | 0.713 | S | S | * | * | trans | -24.9 | 134.5 | -178.3 | -80.3 | 146.8 | 0 | 0 | 0 | 121.6 | ||||
| 1185 | S | 26.5 | Very low | 29.5 | Very low | 103 Ų | 103 | 135.1 Ų | 135.1 | 72% | 0.72 | 72% | 0.718 | S | S | * | * | 29 | 130.2 | 124.8 | -55.9 | 0 | 0 | 0 | 0 | 123.2 | |||||
| 1186 | A | 28.7 | Very low | 29.3 | Very low | 87 Ų | 87 | 136.5 Ų | 136.5 | 72% | 0.719 | 73% | 0.725 | S | S | * | * | trans | 91.8 | 148.6 | 133.2 | 0 | 0 | 0 | 0 | 0 | 122 | ||||
| 1187 | T | 27.6 | Very low | 29.3 | Very low | 128 Ų | 128 | 136 Ų | 136 | 79% | 0.785 | 73% | 0.726 | S | S | * | * | trans | 73.3 | 125.7 | 156.9 | 41.4 | 0 | 0 | 0 | 0 | 122.1 | ||||
| 1188 | T | 28.1 | Very low | 29.3 | Very low | 118 Ų | 118 | 138.2 Ų | 138.2 | 72% | 0.724 | 73% | 0.728 | S | S | * | * | trans | 81.4 | 140.1 | 145.6 | 24.8 | 0 | 0 | 0 | 0 | 123.4 | ||||
| 1189 | D | 26.2 | Very low | 29.5 | Very low | 127 Ų | 127 | 136.1 Ų | 136.1 | 68% | 0.679 | 73% | 0.728 | S | S | * | * | trans | 69.2 | 109.9 | 144.3 | -60.4 | -30.5 | 0 | 0 | 0 | 124.4 | Q1191 | D1189-Q1191 PolarHBondContact O-N 2.96Š| ||
| 1190 | I | 25.4 | Very low | 29.6 | Very low | 145 Ų | 145 | 135.5 Ų | 135.5 | 74% | 0.744 | 74% | 0.737 | S | S | * | * | 33.6 | 85.8 | 111.9 | -46.1 | 168.2 | 0 | 0 | 0 | 115.7 | |||||
| 1191 | Q | 27.1 | Very low | 29.9 | Very low | 164 Ų | 164 | 132.5 Ų | 132.5 | 77% | 0.766 | 73% | 0.734 | S | S | * | * | -173.8 | 132.1 | 124.2 | -104.3 | 163 | 66.9 | 0 | 0 | 111.4 | D1189 | D1189-Q1191 PolarHBondContact O-N 2.96Š| |||
| 1192 | F | 29.6 | Very low | 30.1 | Very low | 220 Ų | 220 | 136 Ų | 136 | 97% | 0.965 | 75% | 0.747 | S | S | * | * | trans | -129.9 | 94.1 | 149.6 | -110.6 | -80.3 | 0 | 0 | 0 | 108.2 | ||||
| 1193 | N | 29.5 | Very low | 30.4 | Very low | 140 Ų | 140 | 131.8 Ų | 131.8 | 75% | 0.749 | 74% | 0.735 | S | S | * | * | trans | -75.9 | 161.3 | 172.8 | -165.9 | 11 | 0 | 0 | 0 | 110 | ||||
| 1194 | A | 28.6 | Very low | 30.4 | Very low | 64 Ų | 64 | 133.5 Ų | 133.5 | 53% | 0.529 | 74% | 0.741 | S | S | . | * | trans | -94.5 | 166.7 | -174.9 | 0 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 1195 | N | 27.4 | Very low | 30.5 | Very low | 154 Ų | 154 | 131.8 Ų | 131.8 | 82% | 0.824 | 74% | 0.74 | S | S | * | * | trans | 74.6 | 138.1 | 174.8 | -41.7 | -44.2 | 0 | 0 | 0 | 113.1 | ||||
| 1196 | Q | 30.5 | Very low | 30.9 | Very low | 165 Ų | 165 | 133.3 Ų | 133.3 | 77% | 0.771 | 74% | 0.74 | S | S | * | * | cis | -147.1 | 150.7 | 37 | -72.7 | 175.4 | 72.5 | 0 | 0 | 113.7 | ||||
| 1197 | L | 30.1 | Very low | 31.2 | Very low | 134 Ų | 134 | 135.2 Ų | 135.2 | 70% | 0.702 | 74% | 0.738 | S | S | * | * | trans | 50.2 | 151.1 | 132.3 | -56.5 | 170.2 | 0 | 0 | 0 | 120.6 | ||||
| 1198 | H | 32.6 | Very low | 31.4 | Very low | 164 Ų | 164 | 137 Ų | 137 | 76% | 0.759 | 74% | 0.735 | S | S | * | * | cis | -146.6 | 151.3 | 14.7 | -147.2 | -80 | 0 | 0 | 0 | 111.1 | ||||
| 1199 | P | 37.3 | Very low | 31.6 | Very low | 109 Ų | 109 | 137 Ų | 137 | 71% | 0.708 | 74% | 0.735 | S | S | * | * | trans | -115.9 | 168.9 | -174.2 | 41.4 | -34.5 | 0 | 0 | 0 | 116.3 | ||||
| 1200 | S | 32.5 | Very low | 31.8 | Very low | 108 Ų | 108 | 137.4 Ų | 137.4 | 76% | 0.755 | 74% | 0.735 | S | S | * | * | trans | -154.3 | 119 | 161.9 | 36.7 | 0 | 0 | 0 | 0 | 108 | ||||
| 1201 | S | 33.8 | Very low | 32 | Very low | 101 Ų | 101 | 137.6 Ų | 137.6 | 71% | 0.706 | 73% | 0.733 | S | S | * | * | 76 | 133.2 | 64 | 76.2 | 0 | 0 | 0 | 0 | 112.4 | |||||
| 1202 | D | 34.5 | Very low | 32.1 | Very low | 149 Ų | 149 | 139.4 Ų | 139.4 | 80% | 0.797 | 73% | 0.733 | S | S | * | * | cis | -177 | -157.6 | -3.4 | -121 | -46.5 | 0 | 0 | 0 | 106.3 | ||||
| 1203 | P | 37.4 | Very low | 32.2 | Very low | 89 Ų | 89 | 141 Ų | 141 | 58% | 0.578 | 73% | 0.733 | S | S | * | * | cis | -128.9 | 166.4 | -26 | 23.4 | -0.8 | 0 | 0 | 0 | 114.4 | ||||
| 1204 | F | 33.6 | Very low | 32.2 | Very low | 202 Ų | 202 | 137.8 Ų | 137.8 | 89% | 0.886 | 73% | 0.732 | S | S | * | * | 179.9 | 140.3 | 106.3 | -100.1 | -71 | 0 | 0 | 0 | 111.8 | |||||
| 1205 | S | 33.4 | Very low | 32.8 | Very low | 97 Ų | 97 | 140.8 Ų | 140.8 | 68% | 0.678 | 75% | 0.746 | S | S | * | * | trans | -151.2 | 171.1 | -163.6 | 163.1 | 0 | 0 | 0 | 0 | 111 | ||||
| 1206 | N | 35.6 | Very low | 33 | Very low | 135 Ų | 135 | 143.2 Ų | 143.2 | 72% | 0.722 | 75% | 0.749 | S | S | * | * | trans | 126.4 | 143.5 | 154 | -64.4 | -17.1 | 0 | 0 | 0 | 112.7 | ||||
| 1207 | N | 34.1 | Very low | 33.2 | Very low | 127 Ų | 127 | 140.4 Ų | 140.4 | 68% | 0.679 | 75% | 0.745 | S | S | * | * | cis | -159.7 | 168.2 | 4.8 | -103.3 | -21 | 0 | 0 | 0 | 108 | ||||
| 1208 | K | 33.3 | Very low | 33.3 | Very low | 165 Ų | 165 | 142.4 Ų | 142.4 | 72% | 0.717 | 75% | 0.749 | S | S | * | * | cis | -177.6 | -177 | -20.6 | -166.8 | 168.1 | -168 | 166 | 0 | 107.6 | ||||
| 1209 | V | 31.2 | Very low | 33.1 | Very low | 119 Ų | 119 | 141.2 Ų | 141.2 | 72% | 0.721 | 75% | 0.747 | S | S | * | * | trans | 81.6 | 104.8 | 163.4 | -168.7 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 1210 | I | 30.5 | Very low | 32.6 | Very low | 134 Ų | 134 | 140.2 Ų | 140.2 | 69% | 0.687 | 74% | 0.742 | S | S | * | * | 81.4 | 134.7 | 62.5 | -64.4 | 161.4 | 0 | 0 | 0 | 110.8 | |||||
| 1211 | E | 29 | Very low | 32.4 | Very low | 149 Ų | 149 | 140.8 Ų | 140.8 | 70% | 0.696 | 74% | 0.741 | S | S | * | * | cis | -139.6 | 175.1 | 27.4 | -159.4 | 144.9 | -161.4 | 0 | 0 | 118.1 | ||||
| 1212 | R | 28.7 | Very low | 32 | Very low | 203 Ų | 203 | 143 Ų | 143 | 77% | 0.766 | 75% | 0.745 | S | S | * | * | trans | -82.2 | 160.2 | -169.2 | -44.6 | 132.6 | 165.5 | 161.2 | -14.7 | 116.2 | ||||
| 1213 | R | 33.4 | Very low | 31.6 | Very low | 254 Ų | 254 | 141.1 Ų | 141.1 | 96% | 0.958 | 74% | 0.744 | S | S | * | * | 155.2 | 146.4 | 126.9 | -84.5 | 170.1 | -164.7 | -152.2 | 6.5 | 108.8 | |||||
| 1214 | G | 28.9 | Very low | 31 | Very low | 71 Ų | 71 | 142.9 Ų | 142.9 | 73% | 0.732 | 75% | 0.753 | S | S | * | * | cis | 172.9 | 129 | -6.3 | 0 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 1215 | P | 40.5 | Very low | 30.5 | Very low | 128 Ų | 128 | 139.2 Ų | 139.2 | 83% | 0.831 | 75% | 0.747 | S | S | * | * | trans | -108.3 | 171.1 | -161.7 | 40.6 | -37.2 | 0 | 0 | 0 | 115.9 | ||||
| 1216 | K | 31.9 | Very low | 30.1 | Very low | 204 Ų | 204 | 139.2 Ų | 139.2 | 89% | 0.887 | 75% | 0.747 | S | S | * | * | trans | -162.5 | 137.7 | 148.1 | -111.7 | 164.8 | -174 | 179.9 | 0 | 113.3 | ||||
| 1217 | P | 35.8 | Very low | 29.5 | Very low | 106 Ų | 106 | 138.4 Ų | 138.4 | 69% | 0.688 | 75% | 0.747 | S | S | * | * | trans | -105.2 | -172.2 | 171.4 | 38.7 | -29.4 | 0 | 0 | 0 | 112 | ||||
| 1218 | F | 30.8 | Very low | 29.2 | Very low | 176 Ų | 176 | 138.3 Ų | 138.3 | 77% | 0.772 | 75% | 0.751 | S | S | * | * | 173.2 | 139.9 | 129.9 | -109.8 | -120.6 | 0 | 0 | 0 | 113.4 | |||||
| 1219 | I | 29.1 | Very low | 28.9 | Very low | 139 Ų | 139 | 136.8 Ų | 136.8 | 71% | 0.713 | 76% | 0.756 | S | S | * | * | trans | 46.5 | 146.3 | 138.8 | -67.3 | -168.9 | 0 | 0 | 0 | 121.7 | ||||
| 1220 | S | 27.2 | Very low | 28.7 | Very low | 88 Ų | 88 | 135.6 Ų | 135.6 | 62% | 0.615 | 76% | 0.759 | S | S | * | * | cis | -176 | 179.1 | -22.7 | -83.3 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 1221 | T | 28.1 | Very low | 28.7 | Very low | 120 Ų | 120 | 136 Ų | 136 | 74% | 0.736 | 77% | 0.768 | S | S | * | * | trans | 69.9 | 110.1 | 150.9 | 43.2 | 0 | 0 | 0 | 0 | 122.1 | ||||
| 1222 | N | 25.8 | Very low | 28.6 | Very low | 147 Ų | 147 | 134.2 Ų | 134.2 | 79% | 0.786 | 77% | 0.767 | S | S | * | * | 45.1 | 116.6 | 124.2 | -54.2 | -5.2 | 0 | 0 | 0 | 120.9 | |||||
| 1223 | S | 25.2 | Very low | 28.8 | Very low | 110 Ų | 110 | 132.6 Ų | 132.6 | 77% | 0.769 | 77% | 0.773 | S | S | * | * | 157.2 | 135.6 | 93.7 | 56.2 | 0 | 0 | 0 | 0 | 115.4 | |||||
| 1224 | V | 24.4 | Very low | 28.5 | Very low | 127 Ų | 127 | 126.2 Ų | 126.2 | 77% | 0.77 | 76% | 0.757 | S | S | * | * | trans | 54.9 | 131.4 | 137.6 | -174 | 0 | 0 | 0 | 0 | 121.6 | ||||
| 1225 | T | 24.3 | Very low | 28.7 | Very low | 124 Ų | 124 | 130.1 Ų | 130.1 | 76% | 0.761 | 76% | 0.762 | S | S | * | * | trans | 77.9 | 133.5 | 159.7 | 35.6 | 0 | 0 | 0 | 0 | 123.7 | ||||
| 1226 | S | 24.6 | Very low | 28 | Very low | 98 Ų | 98 | 129 Ų | 129 | 69% | 0.685 | 76% | 0.757 | S | S | * | * | trans | 78.6 | 102.8 | 134.2 | -63.6 | 0 | 0 | 0 | 0 | 123.2 | ||||
| 1227 | T | 23.8 | Very low | 28 | Very low | 117 Ų | 117 | 124.2 Ų | 124.2 | 72% | 0.718 | 75% | 0.749 | S | S | * | * | 70.7 | 131.3 | 114.7 | -46 | 0 | 0 | 0 | 0 | 120.8 | |||||
| 1228 | T | 26.1 | Very low | 27.8 | Very low | 125 Ų | 125 | 125.2 Ų | 125.2 | 77% | 0.767 | 75% | 0.754 | S | S | * | * | trans | 63.5 | 157.8 | 166.6 | 39.3 | 0 | 0 | 0 | 0 | 116.5 | ||||
| 1229 | T | 28.1 | Very low | 27.8 | Very low | 134 Ų | 134 | 123.2 Ų | 123.2 | 82% | 0.822 | 76% | 0.758 | S | S | * | * | cis | -138.1 | 172 | 0.4 | -21.1 | 0 | 0 | 0 | 0 | 110 | ||||
| 1230 | A | 25.9 | Very low | 27.9 | Very low | 93 Ų | 93 | 119.5 Ų | 119.5 | 77% | 0.769 | 75% | 0.754 | S | S | * | * | trans | -94.8 | 147.5 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 1231 | T | 30.4 | Very low | 28.1 | Very low | 143 Ų | 143 | 119.7 Ų | 119.7 | 88% | 0.877 | 77% | 0.77 | S | S | * | * | trans | -126 | 136.6 | 166.3 | -47.3 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 1232 | T | 27.7 | Very low | 28.6 | Very low | 111 Ų | 111 | 120.4 Ų | 120.4 | 68% | 0.681 | 77% | 0.774 | S | S | * | * | trans | -86 | 150.3 | -174.2 | -46.9 | 0 | 0 | 0 | 0 | 112 | ||||
| 1233 | L | 32.6 | Very low | 29 | Very low | 169 Ų | 169 | 121.1 Ų | 121.1 | 89% | 0.885 | 78% | 0.778 | S | S | * | * | trans | -163.3 | 160.6 | 133.8 | -105.5 | 164.4 | 0 | 0 | 0 | 110.9 | ||||
| 1234 | N | 27.8 | Very low | 29.6 | Very low | 120 Ų | 120 | 118.4 Ų | 118.4 | 64% | 0.642 | 76% | 0.762 | S | S | * | * | trans | -110.7 | 147.1 | -163.4 | -55.3 | -46.7 | 0 | 0 | 0 | 112.7 | ||||
| 1235 | N | 31.9 | Very low | 30.1 | Very low | 154 Ų | 154 | 115.6 Ų | 115.6 | 82% | 0.824 | 75% | 0.746 | S | S | * | * | 179.1 | 171.9 | 108.6 | -90.4 | -19.2 | 0 | 0 | 0 | 114.3 | |||||
| 1236 | S | 27.8 | Very low | 31.3 | Very low | 104 Ų | 104 | 114.3 Ų | 114.3 | 73% | 0.727 | 74% | 0.74 | S | S | * | * | trans | -48 | 156.5 | 169.9 | 47.6 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 1237 | S | 29.9 | Very low | 32.6 | Very low | 103 Ų | 103 | 117.3 Ų | 117.3 | 72% | 0.72 | 74% | 0.743 | S | S | * | * | cis | -166.6 | 177.4 | 15.1 | 20.2 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 1238 | T | 32.7 | Very low | 34.4 | Very low | 128 Ų | 128 | 115.6 Ų | 115.6 | 79% | 0.785 | 73% | 0.727 | S | S | * | * | trans | 89.1 | 124.9 | 159.5 | -46.7 | 0 | 0 | 0 | 0 | 116.8 | G1240 | T1238-G1240 PolarHBondContact O-N 2.96Š| ||
| 1239 | P | 31.5 | Very low | 36.9 | Very low | 134 Ų | 134 | 111.8 Ų | 111.8 | 87% | 0.87 | 70% | 0.704 | S | S | * | * | trans | -90.3 | 91.5 | -176.2 | 34.9 | -33.9 | 0 | 0 | 0 | 113.4 | ||||
| 1240 | G | 31 | Very low | 39.7 | Very low | 61 Ų | 61 | 107.7 Ų | 107.7 | 63% | 0.629 | 68% | 0.677 | S | S | * | * | trans | -96.7 | 120.8 | 168 | 0 | 0 | 0 | 0 | 0 | 112.2 | T1238 V1242 | T1238-G1240 PolarHBondContact O-N 2.96Å; G1240-V1242 PolarHBondContact O-N 3.29Å; G1240-V1242 VanDerWaalsContact O-N 3.09Å | ||
| 1241 | G | 31.6 | Very low | 42.8 | Very low | 92 Ų | 92 | 104.8 Ų | 104.8 | 95% | 0.948 | 65% | 0.647 | S | S | * | * | trans | -82.5 | 75.1 | -178.8 | 0 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 1242 | V | 38 | Very low | 45.6 | Very low | 134 Ų | 134 | 101.8 Ų | 101.8 | 81% | 0.812 | 63% | 0.629 | S | S | * | * | P | Polyproline II helix | trans | -91.3 | 152.3 | 174.5 | -143.5 | 0 | 0 | 0 | 0 | 110.8 | G1240 A1244 | G1240-V1242 PolarHBondContact O-N 3.29Å; G1240-V1242 VanDerWaalsContact O-N 3.09Å; V1242-A1244 PolarHBondContact O-N 3.11Å |
| 1243 | N | 34.8 | Very low | 48.7 | Very low | 163 Ų | 163 | 96.7 Ų | 96.7 | 87% | 0.872 | 60% | 0.597 | S | S | * | * | P | Polyproline II helix | trans | -68.9 | 125.6 | -171.3 | -63.3 | -57.9 | 0 | 0 | 0 | 112.9 | ||
| 1244 | A | 36.1 | Very low | 51.4 | Low | 52 Ų | 52 | 93.4 Ų | 93.4 | 43% | 0.43 | 58% | 0.579 | S | S | . | * | P | Polyproline II helix | trans | -75.9 | 146.4 | 167.5 | 0 | 0 | 0 | 0 | 0 | 111.1 | V1242 E1248 | V1242-A1244 PolarHBondContact O-N 3.11Å; A1244-E1248 HydrophobicContact CB-CB 4.15Å |
| 1245 | P | 36.6 | Very low | 54.3 | Low | 69 Ų | 69 | 87.9 Ų | 87.9 | 45% | 0.448 | 55% | 0.549 | S | S | . | . | P | Polyproline II helix | trans | -66 | 158 | 178 | 27.9 | -34.6 | 0 | 0 | 0 | 112.2 | E1247 E1248 | P1245-E1247 PolarHBondContact O-N 3.06Å; P1245-E1247 VanDerWaalsContact O-N 3.08Å; P1245-E1248 HydrophobicContact CG-CG 4.31Å; P1245-E1248 PolarHBondContact O-N 3.09Å |
| 1246 | P | 47.4 | Very low | 56.8 | Low | 97 Ų | 97 | 88 Ų | 88 | 63% | 0.63 | 54% | 0.542 | S | S | * | . | G | 310 helix | trans | -58.1 | -29.4 | -173.1 | 21.1 | -32.9 | 0 | 0 | 0 | 114.2 | E1248 T1249 N1250 | P1246-E1248 PolarHBondContact O-N 3.04Å; P1246-T1249 PolarHBondContact O-N 3.05Å; P1246-T1249 VanDerWaalsContact O-N 3.14Å; P1246-T1249 PolarHBondContact O-OG1 2.85Å; P1246-N1250 PolarHBondContact O-ND2 2.68Å |
| 1247 | E | 53.4 | Low | 59.2 | Low | 161 Ų | 161 | 84.5 Ų | 84.5 | 75% | 0.752 | 52% | 0.522 | S | S | * | . | G | 310 helix | trans | -66.5 | -15.5 | 176.8 | -58 | -174.4 | 159.1 | 0 | 0 | 114.5 | P1245 K1353 | P1245-E1247 PolarHBondContact O-N 3.06Å; P1245-E1247 VanDerWaalsContact O-N 3.08Å; E1247-K1353 PolarHBondContact O-NZ 3.21Å |
| 1248 | E | 61.9 | Low | 61.6 | Low | 80 Ų | 80 | 81.2 Ų | 81.2 | 37% | 0.374 | 49% | 0.494 | S | S | . | . | G | 310 helix | trans | -80.8 | -19.3 | 172.7 | -78.5 | -164.1 | -141 | 0 | 0 | 113.3 | A1244 P1245 P1246 T1349 | A1244-E1248 HydrophobicContact CB-CB 4.15Å; P1245-E1248 HydrophobicContact CG-CG 4.31Å; P1245-E1248 PolarHBondContact O-N 3.09Å; P1246-E1248 PolarHBondContact O-N 3.04Å; E1248-T1349 HydrophobicContact CB-CG2 4.23Å; E1248-T1349 WeakPolarHBondContact O-CG2 3.34Å |
| 1249 | T | 78.6 | Confident | 64 | Low | 46 Ų | 46 | 76.8 Ų | 76.8 | 28% | 0.282 | 47% | 0.471 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -106.8 | -7 | -171 | 62.9 | 0 | 0 | 0 | 0 | 114.6 | P1246 Q1343 L1344 | P1246-T1249 PolarHBondContact O-N 3.05Å; P1246-T1249 VanDerWaalsContact O-N 3.14Å; P1246-T1249 PolarHBondContact O-OG1 2.85Å; T1249-Q1343 CarbonylContact O-C 3.56Å; T1249-Q1343 WeakPolarHBondContact O-CA 3.46Å; T1249-L1344 PolarHBondContact O-N 3.26Å |
| 1250 | N | 86 | Confident | 66.5 | Low | 47 Ų | 47 | 72.4 Ų | 72.4 | 25% | 0.251 | 44% | 0.44 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128 | 148.4 | -180 | -57.1 | -86.2 | 0 | 0 | 0 | 110 | P1246 F1342 Q1343 | P1246-N1250 PolarHBondContact O-ND2 2.68Å; N1250-F1342 CarbonylContact C-O 3.46Å; N1250-F1342 WeakPolarHBondContact CA-O 3.47Å; N1250-Q1343 WeakPolarHBondContact OD1-CG 3.41Å; N1250-Q1343 PolarHBondContact OD1-NE2 2.89Å |
| 1251 | H | 90.2 | Very high | 69.1 | Low | 32 Ų | 32 | 75.7 Ų | 75.7 | 15% | 0.148 | 44% | 0.443 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.7 | 116.6 | -179.5 | -174.1 | 118 | 0 | 0 | 0 | 107.9 | F1342 F1352 C1356 D1357 Q1360 | H1251-F1342 HydrophobicContact CB-CB 4.33Å; H1251-F1342 PolarHBondContact N-O 3.24Å; H1251-F1342 WeakPolarHBondContact O-CD2 3.48Å; H1251-F1342 PolarHBondContact O-N 2.79Å; H1251-F1352 HydrophobicContact CB-CZ 4.39Å; H1251-C1356 HydrophobicContact CB-CB 4.05Å; H1251-D1357 IonicContact CE1-OD1 3.28Å; H1251-Q1360 PolarHBondContact NE2-OE1 3.35Å |
| 1252 | V | 90.6 | Very high | 71.7 | Confident | 81 Ų | 81 | 77.9 Ų | 77.9 | 49% | 0.491 | 42% | 0.423 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.6 | 128.8 | -170.3 | -175.5 | 0 | 0 | 0 | 0 | 110.9 | M1254 A1339 V1340 N1341 | V1252-M1254 HydrophobicContact CG1-SD 4.46Å; V1252-A1339 HydrophobicContact CG1-CB 4.1Å; V1252-V1340 WeakPolarHBondContact CA-O 3.37Å; V1252-N1341 HydrophobicContact CG2-CB 4.22Å |
| 1253 | V | 91.7 | Very high | 74.1 | Confident | 4 Ų | 4 | 71.5 Ų | 71.5 | 2% | 0.024 | 38% | 0.384 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.6 | 122.7 | 176.9 | -176.8 | 0 | 0 | 0 | 0 | 109.4 | V1255 V1340 F1342 Q1360 L1363 L1364 | V1253-V1255 HydrophobicContact CG1-CG2 4.28Å; V1253-V1340 HydrophobicContact CB-CB 4.44Å; V1253-V1340 PolarHBondContact N-O 3Å; V1253-V1340 PolarHBondContact O-N 3.37Å; V1253-F1342 HydrophobicContact CB-CE2 4.29Å; V1253-F1342 HydrophobicContact CG2-CD2 4.21Å; V1253-F1342 HydrophobicContact CG2-CE2 3.7Å; V1253-Q1360 HydrophobicContact CG1-CG 4.01Å; V1253-Q1360 HydrophobicContact CG2-CB 3.73Å; V1253-Q1360 HydrophobicContact CG2-CG 3.68Å; V1253-L1363 HydrophobicContact CG1-CD2 4.4Å; V1253-L1364 HydrophobicContact CG1-CD1 4.31Å; V1253-L1364 HydrophobicContact CG1-CD2 3.88Å; V1253-L1364 HydrophobicContact CG1-CG 4.07Å |
| 1254 | M | 89.8 | Confident | 76.7 | Confident | 100 Ų | 100 | 67 Ų | 67 | 49% | 0.493 | 36% | 0.357 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.1 | 123.3 | 175.7 | -63 | -60.9 | -68.8 | 0 | 0 | 110.1 | V1252 A1314 V1337 A1339 | V1252-M1254 HydrophobicContact CG1-SD 4.46Å; M1254-A1314 HydrophobicContact CE-CB 3.75Å; M1254-V1337 HydrophobicContact CE-CG1 3.82Å; M1254-A1339 HydrophobicContact CE-CB 4.45Å; M1254-A1339 HydrophobicContact SD-CB 3.64Å |
| 1255 | V | 88.9 | Confident | 79.2 | Confident | 4 Ų | 4 | 67.4 Ų | 67.4 | 2% | 0.024 | 36% | 0.36 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117 | 128.7 | 175.5 | -171 | 0 | 0 | 0 | 0 | 109.3 | V1253 R1258 L1263 V1337 Y1338 V1340 L1363 L1364 | V1253-V1255 HydrophobicContact CG1-CG2 4.28Å; V1255-R1258 HydrophobicContact CG1-CB 4.21Å; V1255-R1258 HydrophobicContact CG1-CG 3.92Å; V1255-L1263 HydrophobicContact CB-CD1 4.12Å; V1255-L1263 HydrophobicContact CG1-CD1 4.07Å; V1255-L1263 HydrophobicContact CG2-CD1 3.95Å; V1255-V1337 WeakPolarHBondContact O-CA 3.45Å; V1255-Y1338 PolarHBondContact N-O 3.05Å; V1255-Y1338 PolarHBondContact O-N 2.73Å; V1255-V1340 HydrophobicContact CG2-CG2 4.28Å; V1255-L1363 HydrophobicContact CG2-CD2 4.03Å; V1255-L1363 HydrophobicContact CG2-CG 4.38Å; V1255-L1364 HydrophobicContact CG2-CD2 4.46Å |
| 1256 | K | 84.9 | Confident | 81.8 | Confident | 156 Ų | 156 | 64.7 Ų | 64.7 | 68% | 0.678 | 34% | 0.341 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -113.5 | 152.5 | 179.9 | -61 | -177.1 | 177 | -177 | 0 | 110.3 | R1258 E1336 V1337 | K1256-R1258 VanDerWaalsContact C-N 3.26Å; K1256-R1258 PolarHBondContact O-N 2.82Å; K1256-E1336 CarbonylContact C-O 3.34Å; K1256-V1337 HydrophobicContact CB-CG2 4.48Å; K1256-V1337 HydrophobicContact CG-CG1 3.99Å; K1256-V1337 HydrophobicContact CG-CG2 4.05Å |
| 1257 | G | 77.1 | Confident | 83.9 | Confident | 30 Ų | 30 | 60.1 Ų | 60.1 | 31% | 0.309 | 31% | 0.312 | S | S | . | . | S | Bend | trans | 67.5 | 20.3 | 171.4 | 0 | 0 | 0 | 0 | 0 | 115.2 | S1333 E1336 | G1257-S1333 CarbonylContact C-O 3.13Å; G1257-E1336 PolarHBondContact N-O 3.3Å |
| 1258 | R | 80.4 | Confident | 85.7 | Confident | 34 Ų | 34 | 54.3 Ų | 54.3 | 13% | 0.128 | 29% | 0.287 | C | S | . | . | trans | -126.4 | 119.6 | 177.6 | -54.4 | -163.7 | -161.2 | 157.8 | 3.3 | 110.1 | V1255 K1256 E1266 Y1338 L1363 L1364 | V1255-R1258 HydrophobicContact CG1-CB 4.21Å; V1255-R1258 HydrophobicContact CG1-CG 3.92Å; K1256-R1258 VanDerWaalsContact C-N 3.26Å; K1256-R1258 PolarHBondContact O-N 2.82Å; R1258-E1266 WeakPolarHBondContact CD-OE2 2.9Å; R1258-E1266 IonicContact CZ-OE2 3.45Å; R1258-E1266 IonicContact NE-OE2 2.9Å; R1258-E1266 IonicContact NH1-OE1 2.78Å; R1258-E1266 IonicContact NH1-OE2 3.66Å; R1258-E1266 PolarHBondContact NH1-OE2 3.39Å; R1258-Y1338 WeakPolarHBondContact O-CD2 3.37Å; R1258-L1363 PolarHBondContact NH1-O 2.83Å; R1258-L1363 PolarHBondContact NH2-O 2.8Å; R1258-L1363 VanDerWaalsContact NH2-O 3.1Å; R1258-L1364 PolarHBondContact NH2-O 3.32Å; R1258-L1364 VanDerWaalsContact NH2-O 3.12Å | ||
| 1259 | A | 83.3 | Confident | 87 | Confident | 36 Ų | 36 | 56 Ų | 56 | 30% | 0.298 | 30% | 0.295 | S | S | . | . | trans | -61.3 | 149.1 | 174 | 0 | 0 | 0 | 0 | 0 | 111.4 | N1261 R1262 L1263 E1336 | A1259-N1261 PolarHBondContact O-N 3.34Å; A1259-N1261 VanDerWaalsContact O-N 3.07Å; A1259-R1262 WeakPolarHBondContact O-CB 3.34Å; A1259-R1262 PolarHBondContact O-N 3.17Å; A1259-L1263 PolarHBondContact O-N 3.28Å; A1259-E1336 WeakPolarHBondContact CA-OE2 3.28Å | ||
| 1260 | L | 84.5 | Confident | 87.7 | Confident | 42 Ų | 42 | 54.3 Ų | 54.3 | 22% | 0.22 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -48.5 | -42.5 | -175.8 | -178 | 60 | 0 | 0 | 0 | 113.5 | L1263 K1264 T1285 M1311 Y1338 | L1260-L1263 PolarHBondContact O-N 3.21Å; L1260-K1264 WeakPolarHBondContact O-CB 3.38Å; L1260-K1264 PolarHBondContact O-N 2.61Å; L1260-T1285 HydrophobicContact CD1-CG2 4.39Å; L1260-T1285 HydrophobicContact CD2-CG2 4.14Å; L1260-M1311 HydrophobicContact CD1-CB 4.47Å; L1260-M1311 HydrophobicContact CD1-CE 3.86Å; L1260-Y1338 HydrophobicContact CB-CE1 4.25Å; L1260-Y1338 HydrophobicContact CB-CE2 4.38Å; L1260-Y1338 HydrophobicContact CD1-CD1 4.29Å; L1260-Y1338 HydrophobicContact CD1-CE1 3.89Å |
| 1261 | N | 84.8 | Confident | 88 | Confident | 130 Ų | 130 | 52.1 Ų | 52.1 | 70% | 0.695 | 27% | 0.273 | S | S | * | . | H | α-helix | trans | -66.8 | -37.9 | -178.8 | -66.9 | -18.9 | 0 | 0 | 0 | 112.6 | A1259 A1265 | A1259-N1261 PolarHBondContact O-N 3.34Å; A1259-N1261 VanDerWaalsContact O-N 3.07Å; N1261-A1265 PolarHBondContact O-N 3.29Å; N1261-A1265 VanDerWaalsContact O-N 3.09Å |
| 1262 | R | 86.3 | Confident | 88 | Confident | 138 Ų | 138 | 55.6 Ų | 55.6 | 52% | 0.521 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -68.9 | -47.7 | 175.1 | 179 | 173.1 | 179.9 | 156.8 | 7.5 | 110.8 | A1259 K1264 A1265 E1266 | A1259-R1262 WeakPolarHBondContact O-CB 3.34Å; A1259-R1262 PolarHBondContact O-N 3.17Å; R1262-K1264 VanDerWaalsContact C-N 3.29Å; R1262-K1264 PolarHBondContact O-N 2.95Å; R1262-A1265 PolarHBondContact O-N 2.93Å; R1262-A1265 VanDerWaalsContact O-N 3.15Å; R1262-E1266 HydrophobicContact CG-CG 4.4Å; R1262-E1266 VanDerWaalsContact CG-OE1 3.31Å; R1262-E1266 WeakPolarHBondContact CG-OE1 3.44Å; R1262-E1266 IonicContact CZ-OE1 3.36Å; R1262-E1266 IonicContact NE-OE1 3.62Å; R1262-E1266 PolarHBondContact NE-OE1 3Å; R1262-E1266 IonicContact NH2-OE1 3.7Å; R1262-E1266 WeakPolarHBondContact O-CG 3.4Å; R1262-E1266 PolarHBondContact O-N 3.35Å |
| 1263 | L | 89.5 | Confident | 88 | Confident | 0 Ų | 0 | 54.2 Ų | 54.2 | 0% | 0 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -58.1 | -41.7 | 176.4 | 179.1 | 62.1 | 0 | 0 | 0 | 112 | V1255 A1259 L1260 E1266 L1267 M1311 Y1338 V1340 L1363 | V1255-L1263 HydrophobicContact CB-CD1 4.12Å; V1255-L1263 HydrophobicContact CG1-CD1 4.07Å; V1255-L1263 HydrophobicContact CG2-CD1 3.95Å; A1259-L1263 PolarHBondContact O-N 3.28Å; L1260-L1263 PolarHBondContact O-N 3.21Å; L1263-E1266 PolarHBondContact O-N 3.44Å; L1263-L1267 WeakPolarHBondContact O-CB 3.22Å; L1263-L1267 PolarHBondContact O-N 3.24Å; L1263-M1311 HydrophobicContact CD2-SD 4.06Å; L1263-M1311 HydrophobicContact CG-SD 3.91Å; L1263-Y1338 VanDerWaalsContact CD2-CB 3.43Å; L1263-Y1338 HydrophobicContact CD2-CD1 4.47Å; L1263-Y1338 HydrophobicContact CD2-CD2 4.21Å; L1263-Y1338 HydrophobicContact CD2-CG 3.8Å; L1263-V1340 HydrophobicContact CD1-CG2 4.22Å; L1263-V1340 HydrophobicContact CD2-CG2 4Å; L1263-V1340 HydrophobicContact CG-CG2 4.48Å; L1263-L1363 HydrophobicContact CD1-CD1 4.01Å; L1263-L1363 HydrophobicContact CD1-CD2 4.4Å; L1263-L1363 HydrophobicContact CD1-CG 4.49Å |
| 1264 | K | 89.5 | Confident | 87.8 | Confident | 69 Ų | 69 | 54.3 Ų | 54.3 | 30% | 0.3 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -62.1 | -44.4 | 175.6 | -171.4 | -171.8 | -179.7 | -171.6 | 0 | 112 | L1260 R1262 V1268 F1287 M1311 | L1260-K1264 WeakPolarHBondContact O-CB 3.38Å; L1260-K1264 PolarHBondContact O-N 2.61Å; R1262-K1264 VanDerWaalsContact C-N 3.29Å; R1262-K1264 PolarHBondContact O-N 2.95Å; K1264-V1268 WeakPolarHBondContact O-CG2 3.2Å; K1264-V1268 PolarHBondContact O-N 3.42Å; K1264-V1268 VanDerWaalsContact O-N 3.13Å; K1264-F1287 HydrophobicContact CG-CE2 4.43Å; K1264-F1287 HydrophobicContact CG-CZ 3.84Å; K1264-M1311 HydrophobicContact CB-CE 4.01Å; K1264-M1311 HydrophobicContact CG-CE 4.14Å |
| 1265 | A | 88.8 | Confident | 87.6 | Confident | 60 Ų | 60 | 53.7 Ų | 53.7 | 50% | 0.496 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -65.5 | -45.3 | 178 | 0 | 0 | 0 | 0 | 0 | 111.8 | N1261 R1262 V1268 Q1269 | N1261-A1265 PolarHBondContact O-N 3.29Å; N1261-A1265 VanDerWaalsContact O-N 3.09Å; R1262-A1265 PolarHBondContact O-N 2.93Å; R1262-A1265 VanDerWaalsContact O-N 3.15Å; A1265-V1268 PolarHBondContact O-N 3.48Å; A1265-Q1269 WeakPolarHBondContact O-CB 3.29Å; A1265-Q1269 PolarHBondContact O-N 3.06Å |
| 1266 | E | 89.9 | Confident | 87.5 | Confident | 12 Ų | 12 | 55 Ų | 55 | 6% | 0.056 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -62 | -42.5 | 176.5 | -70.1 | 165.5 | 171.3 | 0 | 0 | 111.5 | R1258 R1262 L1263 V1268 Q1269 V1270 L1363 | R1258-E1266 WeakPolarHBondContact CD-OE2 2.9Å; R1258-E1266 IonicContact CZ-OE2 3.45Å; R1258-E1266 IonicContact NE-OE2 2.9Å; R1258-E1266 IonicContact NH1-OE1 2.78Å; R1258-E1266 IonicContact NH1-OE2 3.66Å; R1258-E1266 PolarHBondContact NH1-OE2 3.39Å; R1262-E1266 HydrophobicContact CG-CG 4.4Å; R1262-E1266 VanDerWaalsContact CG-OE1 3.31Å; R1262-E1266 WeakPolarHBondContact CG-OE1 3.44Å; R1262-E1266 IonicContact CZ-OE1 3.36Å; R1262-E1266 IonicContact NE-OE1 3.62Å; R1262-E1266 PolarHBondContact NE-OE1 3Å; R1262-E1266 IonicContact NH2-OE1 3.7Å; R1262-E1266 WeakPolarHBondContact O-CG 3.4Å; R1262-E1266 PolarHBondContact O-N 3.35Å; L1263-E1266 PolarHBondContact O-N 3.44Å; E1266-V1268 PolarHBondContact O-N 2.99Å; E1266-Q1269 WeakPolarHBondContact O-CB 3.29Å; E1266-Q1269 PolarHBondContact O-N 3.39Å; E1266-V1270 WeakPolarHBondContact O-CB 3.44Å; E1266-V1270 VanDerWaalsContact O-CG2 3.25Å; E1266-V1270 WeakPolarHBondContact O-CG2 3.21Å; E1266-V1270 PolarHBondContact O-N 2.7Å; E1266-L1363 HydrophobicContact CB-CD1 4.25Å |
| 1267 | L | 92.1 | Very high | 87.7 | Confident | 1 Ų | 1 | 48.4 Ų | 48.4 | 1% | 0.005 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -62.9 | -41.7 | 176.7 | -163.1 | 86.4 | 0 | 0 | 0 | 112.3 | L1263 V1270 F1271 F1287 V1309 M1311 V1340 F1342 L1363 | L1263-L1267 WeakPolarHBondContact O-CB 3.22Å; L1263-L1267 PolarHBondContact O-N 3.24Å; L1267-V1270 PolarHBondContact O-N 2.98Å; L1267-F1271 HydrophobicContact CD1-CZ 4.41Å; L1267-F1271 HydrophobicContact CD2-CE2 3.63Å; L1267-F1271 HydrophobicContact CD2-CZ 3.68Å; L1267-F1271 HydrophobicContact CG-CD2 4.5Å; L1267-F1271 HydrophobicContact CG-CE1 4.46Å; L1267-F1271 HydrophobicContact CG-CE2 3.8Å; L1267-F1271 HydrophobicContact CG-CZ 3.78Å; L1267-F1271 WeakPolarHBondContact O-CD2 3.41Å; L1267-F1271 WeakPolarHBondContact O-CG 3.34Å; L1267-F1271 PolarHBondContact O-N 2.95Å; L1267-F1287 HydrophobicContact CD2-CD2 3.43Å; L1267-F1287 VanDerWaalsContact CD2-CD2 3.43Å; L1267-F1287 HydrophobicContact CD2-CE2 3.38Å; L1267-F1287 HydrophobicContact CD2-CG 4.2Å; L1267-F1287 HydrophobicContact CD2-CZ 4.11Å; L1267-V1309 HydrophobicContact CD1-CG1 4.31Å; L1267-V1309 HydrophobicContact CD2-CB 4.46Å; L1267-V1309 HydrophobicContact CD2-CG1 3.97Å; L1267-M1311 HydrophobicContact CD2-SD 4.35Å; L1267-V1340 HydrophobicContact CD1-CG1 4.03Å; L1267-F1342 HydrophobicContact CD1-CZ 4.17Å; L1267-L1363 HydrophobicContact CB-CD1 4.42Å; L1267-L1363 HydrophobicContact CD1-CD1 4.04Å; L1267-L1363 HydrophobicContact CD1-CD2 3.96Å |
| 1268 | V | 91.6 | Very high | 88.3 | Confident | 39 Ų | 39 | 51.2 Ų | 51.2 | 24% | 0.236 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -64.8 | -42.7 | 174.4 | 169 | 0 | 0 | 0 | 0 | 111.1 | K1264 A1265 E1266 V1270 F1271 L1272 F1287 | K1264-V1268 WeakPolarHBondContact O-CG2 3.2Å; K1264-V1268 PolarHBondContact O-N 3.42Å; K1264-V1268 VanDerWaalsContact O-N 3.13Å; A1265-V1268 PolarHBondContact O-N 3.48Å; E1266-V1268 PolarHBondContact O-N 2.99Å; V1268-V1270 VanDerWaalsContact C-N 3.32Å; V1268-V1270 PolarHBondContact O-N 3.08Å; V1268-F1271 PolarHBondContact O-N 2.9Å; V1268-L1272 HydrophobicContact CG1-CD1 3.89Å; V1268-L1272 HydrophobicContact CG1-CG 4.42Å; V1268-L1272 WeakPolarHBondContact O-CG 3.19Å; V1268-L1272 PolarHBondContact O-N 3.12Å; V1268-F1287 HydrophobicContact CG2-CE1 3.53Å; V1268-F1287 HydrophobicContact CG2-CZ 3.83Å |
| 1269 | Q | 89.4 | Confident | 88.9 | Confident | 114 Ų | 114 | 50.9 Ų | 50.9 | 53% | 0.533 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -60.4 | -42.1 | 174.7 | -176.5 | 177 | -0.7 | 0 | 0 | 111.4 | A1265 E1266 L1272 A1273 | A1265-Q1269 WeakPolarHBondContact O-CB 3.29Å; A1265-Q1269 PolarHBondContact O-N 3.06Å; E1266-Q1269 WeakPolarHBondContact O-CB 3.29Å; E1266-Q1269 PolarHBondContact O-N 3.39Å; Q1269-L1272 PolarHBondContact O-N 3.22Å; Q1269-A1273 VanDerWaalsContact O-CB 3.23Å; Q1269-A1273 WeakPolarHBondContact O-CB 3.41Å; Q1269-A1273 PolarHBondContact O-N 3.31Å |
| 1270 | V | 92.4 | Very high | 89.2 | Confident | 11 Ų | 11 | 52 Ų | 52 | 7% | 0.067 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -63.2 | -43 | 175.5 | 166.1 | 0 | 0 | 0 | 0 | 111.8 | E1266 L1267 V1268 A1273 T1274 L1359 A1362 | E1266-V1270 WeakPolarHBondContact O-CB 3.44Å; E1266-V1270 VanDerWaalsContact O-CG2 3.25Å; E1266-V1270 WeakPolarHBondContact O-CG2 3.21Å; E1266-V1270 PolarHBondContact O-N 2.7Å; L1267-V1270 PolarHBondContact O-N 2.98Å; V1268-V1270 VanDerWaalsContact C-N 3.32Å; V1268-V1270 PolarHBondContact O-N 3.08Å; V1270-A1273 PolarHBondContact O-N 3.38Å; V1270-T1274 WeakPolarHBondContact O-CB 3.45Å; V1270-T1274 PolarHBondContact O-N 2.92Å; V1270-T1274 VanDerWaalsContact O-N 3.09Å; V1270-T1274 PolarHBondContact O-OG1 3.46Å; V1270-L1359 HydrophobicContact CG1-CB 4.34Å; V1270-L1359 HydrophobicContact CG1-CD2 3.57Å; V1270-A1362 HydrophobicContact CB-CB 4.38Å; V1270-A1362 HydrophobicContact CG1-CB 3.82Å; V1270-A1362 HydrophobicContact CG2-CB 3.74Å |
| 1271 | F | 93.5 | Very high | 89.5 | Confident | 1 Ų | 1 | 52.1 Ų | 52.1 | 0% | 0.004 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -63.4 | -43.5 | 174.2 | -64.1 | -38.2 | 0 | 0 | 0 | 112.4 | L1267 V1268 A1273 T1274 V1277 H1279 F1287 A1289 V1309 L1359 | L1267-F1271 HydrophobicContact CD1-CZ 4.41Å; L1267-F1271 HydrophobicContact CD2-CE2 3.63Å; L1267-F1271 HydrophobicContact CD2-CZ 3.68Å; L1267-F1271 HydrophobicContact CG-CD2 4.5Å; L1267-F1271 HydrophobicContact CG-CE1 4.46Å; L1267-F1271 HydrophobicContact CG-CE2 3.8Å; L1267-F1271 HydrophobicContact CG-CZ 3.78Å; L1267-F1271 WeakPolarHBondContact O-CD2 3.41Å; L1267-F1271 WeakPolarHBondContact O-CG 3.34Å; L1267-F1271 PolarHBondContact O-N 2.95Å; V1268-F1271 PolarHBondContact O-N 2.9Å; F1271-A1273 VanDerWaalsContact C-N 3.31Å; F1271-A1273 PolarHBondContact O-N 3.24Å; F1271-T1274 PolarHBondContact O-N 3.22Å; F1271-V1277 HydrophobicContact CB-CG1 4.29Å; F1271-V1277 HydrophobicContact CD1-CG1 4.13Å; F1271-H1279 HydrophobicContact CB-CB 4.3Å; F1271-H1279 WeakPolarHBondContact CB-ND1 3.45Å; F1271-H1279 HydrophobicContact CD2-CB 3.82Å; F1271-H1279 AromaticContact CD2-CD2 3.72Å; F1271-H1279 AromaticContact CD2-CG 3.56Å; F1271-H1279 AromaticContact CD2-ND1 3.92Å; F1271-H1279 HydrophobicContact CE2-CB 4.34Å; F1271-H1279 HydrophobicContact CG-CB 4.12Å; F1271-F1287 HydrophobicContact CE2-CB 3.96Å; F1271-F1287 AromaticContact CE2-CD1 3.98Å; F1271-F1287 HydrophobicContact CE2-CD1 3.98Å; F1271-F1287 HydrophobicContact CE2-CD2 4.4Å; F1271-F1287 AromaticContact CE2-CG 3.89Å; F1271-F1287 HydrophobicContact CE2-CG 3.89Å; F1271-F1287 HydrophobicContact CZ-CB 4.36Å; F1271-A1289 HydrophobicContact CE1-CB 4.34Å; F1271-V1309 HydrophobicContact CE1-CG2 4.23Å; F1271-V1309 HydrophobicContact CZ-CB 4.21Å; F1271-V1309 HydrophobicContact CZ-CG2 3.78Å; F1271-L1359 HydrophobicContact CD1-CD2 3.89Å; F1271-L1359 HydrophobicContact CE1-CD1 4.29Å; F1271-L1359 HydrophobicContact CE1-CD2 4.19Å |
| 1272 | L | 90.3 | Very high | 89.6 | Confident | 105 Ų | 105 | 50.2 Ų | 50.2 | 55% | 0.55 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -69.5 | -28.1 | 179 | -68.1 | 172.4 | 0 | 0 | 0 | 112.9 | V1268 Q1269 | V1268-L1272 HydrophobicContact CG1-CD1 3.89Å; V1268-L1272 HydrophobicContact CG1-CG 4.42Å; V1268-L1272 WeakPolarHBondContact O-CG 3.19Å; V1268-L1272 PolarHBondContact O-N 3.12Å; Q1269-L1272 PolarHBondContact O-N 3.22Å |
| 1273 | A | 89.3 | Confident | 89.6 | Confident | 53 Ų | 53 | 45.5 Ų | 45.5 | 44% | 0.438 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -80.9 | -20.1 | 175.7 | 0 | 0 | 0 | 0 | 0 | 113.7 | Q1269 V1270 F1271 P1275 | Q1269-A1273 VanDerWaalsContact O-CB 3.23Å; Q1269-A1273 WeakPolarHBondContact O-CB 3.41Å; Q1269-A1273 PolarHBondContact O-N 3.31Å; V1270-A1273 PolarHBondContact O-N 3.38Å; F1271-A1273 VanDerWaalsContact C-N 3.31Å; F1271-A1273 PolarHBondContact O-N 3.24Å; A1273-P1275 VanDerWaalsContact O-CD 3.28Å; A1273-P1275 WeakPolarHBondContact O-CD 3.32Å |
| 1274 | T | 88 | Confident | 89.4 | Confident | 5 Ų | 5 | 49.6 Ų | 49.6 | 3% | 0.031 | 30% | 0.3 | C | S | . | . | S | Bend | trans | -88.5 | 109 | -176 | -55 | 0 | 0 | 0 | 0 | 111.1 | V1270 F1271 G1276 V1277 L1355 | V1270-T1274 WeakPolarHBondContact O-CB 3.45Å; V1270-T1274 PolarHBondContact O-N 2.92Å; V1270-T1274 VanDerWaalsContact O-N 3.09Å; V1270-T1274 PolarHBondContact O-OG1 3.46Å; F1271-T1274 PolarHBondContact O-N 3.22Å; T1274-G1276 PolarHBondContact O-N 2.91Å; T1274-V1277 HydrophobicContact CG2-CB 4.47Å; T1274-V1277 HydrophobicContact CG2-CG2 3.53Å; T1274-V1277 PolarHBondContact O-N 3.42Å; T1274-V1277 VanDerWaalsContact O-N 3.13Å; T1274-L1355 HydrophobicContact CG2-CD1 4.17Å |
| 1275 | P | 85.9 | Confident | 89.4 | Confident | 88 Ų | 88 | 49 Ų | 49 | 57% | 0.571 | 30% | 0.303 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.9 | 126.4 | -169 | -24 | 35.9 | 0 | 0 | 0 | 113.4 | A1273 V1277 | A1273-P1275 VanDerWaalsContact O-CD 3.28Å; A1273-P1275 WeakPolarHBondContact O-CD 3.32Å; P1275-V1277 VanDerWaalsContact C-N 3.35Å |
| 1276 | G | 85.5 | Confident | 89.5 | Confident | 32 Ų | 32 | 46.6 Ų | 46.6 | 33% | 0.33 | 28% | 0.282 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 82.9 | 5.8 | -179.9 | 0 | 0 | 0 | 0 | 0 | 115 | T1274 Y1291 R1292 | T1274-G1276 PolarHBondContact O-N 2.91Å; G1276-Y1291 WeakPolarHBondContact O-CA 3.36Å; G1276-R1292 WeakPolarHBondContact CA-O 3.33Å; G1276-R1292 PolarHBondContact O-N 2.85Å |
| 1277 | V | 90.6 | Very high | 89.8 | Confident | 16 Ų | 16 | 46 Ų | 46 | 10% | 0.097 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.9 | 125.7 | 162.3 | 177.7 | 0 | 0 | 0 | 0 | 108.8 | F1271 T1274 P1275 A1289 Y1291 L1355 | F1271-V1277 HydrophobicContact CB-CG1 4.29Å; F1271-V1277 HydrophobicContact CD1-CG1 4.13Å; T1274-V1277 HydrophobicContact CG2-CB 4.47Å; T1274-V1277 HydrophobicContact CG2-CG2 3.53Å; T1274-V1277 PolarHBondContact O-N 3.42Å; T1274-V1277 VanDerWaalsContact O-N 3.13Å; P1275-V1277 VanDerWaalsContact C-N 3.35Å; V1277-A1289 HydrophobicContact CG1-CB 4.18Å; V1277-Y1291 HydrophobicContact CG2-CD2 3.91Å; V1277-Y1291 HydrophobicContact CG2-CG 4.36Å; V1277-L1355 HydrophobicContact CG2-CD1 3.84Å |
| 1278 | V | 89.6 | Confident | 89.8 | Confident | 90 Ų | 90 | 51.6 Ų | 51.6 | 55% | 0.545 | 30% | 0.3 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.1 | 145.9 | 162.9 | -63.5 | 0 | 0 | 0 | 0 | 108.7 | A1289 E1290 | V1278-A1289 CarbonylContact O-C 3.47Å; V1278-A1289 WeakPolarHBondContact O-CA 3.31Å; V1278-E1290 HydrophobicContact CG2-CB 4.01Å; V1278-E1290 WeakPolarHBondContact CG2-O 3.35Å; V1278-E1290 PolarHBondContact N-O 3.14Å; V1278-E1290 PolarHBondContact O-N 3.46Å |
| 1279 | H | 91.8 | Very high | 89.9 | Confident | 27 Ų | 27 | 50 Ų | 50 | 13% | 0.125 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.9 | 161 | -178.1 | 75.8 | -84.3 | 0 | 0 | 0 | 112.8 | F1271 R1288 A1289 | F1271-H1279 HydrophobicContact CB-CB 4.3Å; F1271-H1279 WeakPolarHBondContact CB-ND1 3.45Å; F1271-H1279 HydrophobicContact CD2-CB 3.82Å; F1271-H1279 AromaticContact CD2-CD2 3.72Å; F1271-H1279 AromaticContact CD2-CG 3.56Å; F1271-H1279 AromaticContact CD2-ND1 3.92Å; F1271-H1279 HydrophobicContact CE2-CB 4.34Å; F1271-H1279 HydrophobicContact CG-CB 4.12Å; H1279-R1288 CarbonylContact C-O 3.19Å; H1279-R1288 WeakPolarHBondContact CA-O 3.45Å; H1279-R1288 WeakPolarHBondContact CB-O 3.26Å; H1279-A1289 HydrophobicContact CB-CB 4.37Å |
| 1280 | T | 90.8 | Very high | 90.1 | Very high | 58 Ų | 58 | 45.7 Ų | 45.7 | 36% | 0.356 | 27% | 0.271 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.5 | 136.8 | 177 | -46.6 | 0 | 0 | 0 | 0 | 108.4 | F1287 R1288 | T1280-F1287 WeakPolarHBondContact O-CA 3.42Å; T1280-R1288 PolarHBondContact N-O 3.23Å; T1280-R1288 PolarHBondContact O-N 3.37Å |
| 1281 | V | 89.8 | Confident | 90.1 | Very high | 46 Ų | 46 | 46.7 Ų | 46.7 | 28% | 0.279 | 27% | 0.274 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.4 | 125.2 | 175.6 | -170.9 | 0 | 0 | 0 | 0 | 108.6 | S1283 F1287 | V1281-S1283 WeakPolarHBondContact CG1-O 3.23Å; V1281-F1287 HydrophobicContact CB-CD1 4.48Å; V1281-F1287 HydrophobicContact CG1-CE1 4.47Å; V1281-F1287 HydrophobicContact CG2-CD1 4.08Å; V1281-F1287 HydrophobicContact CG2-CE1 3.9Å |
| 1282 | I | 86.9 | Confident | 89.7 | Confident | 90 Ų | 90 | 54 Ų | 54 | 46% | 0.462 | 30% | 0.301 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.2 | -39.4 | 173.8 | -55 | 174.8 | 0 | 0 | 0 | 109.6 | S1286 R1288 Q1308 | I1282-S1286 WeakPolarHBondContact CA-O 3.27Å; I1282-S1286 PolarHBondContact N-O 3.44Å; I1282-R1288 HydrophobicContact CD1-CB 3.89Å; I1282-R1288 HydrophobicContact CD1-CG 4.2Å; I1282-R1288 HydrophobicContact CG1-CB 4.14Å; I1282-Q1308 HydrophobicContact CD1-CG 4.16Å |
| 1283 | S | 86.3 | Confident | 88.7 | Confident | 38 Ų | 38 | 55.8 Ų | 55.8 | 27% | 0.266 | 30% | 0.301 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -154.8 | 174.5 | 175.2 | 85.6 | 0 | 0 | 0 | 0 | 110 | V1281 T1285 S1286 | V1281-S1283 WeakPolarHBondContact CG1-O 3.23Å; S1283-T1285 PolarHBondContact O-N 3.44Å; S1283-T1285 PolarHBondContact OG-N 3.36Å; S1283-T1285 VanDerWaalsContact OG-N 3.08Å; S1283-T1285 PolarHBondContact OG-OG1 2.89Å; S1283-S1286 PolarHBondContact N-O 3.16Å; S1283-S1286 PolarHBondContact O-N 3.33Å; S1283-S1286 WeakPolarHBondContact OG-CB 3.37Å; S1283-S1286 PolarHBondContact OG-N 2.95Å; S1283-S1286 VanDerWaalsContact OG-N 3.14Å |
| 1284 | P | 85.2 | Confident | 87.1 | Confident | 86 Ų | 86 | 57 Ų | 57 | 56% | 0.558 | 31% | 0.31 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.5 | -19.9 | 171.4 | -26.3 | 36.2 | 0 | 0 | 0 | 114.7 | M1311 | P1284-M1311 WeakPolarHBondContact O-CE 3.46Š|
| 1285 | T | 89.4 | Confident | 85.4 | Confident | 57 Ų | 57 | 61 Ų | 61 | 35% | 0.35 | 35% | 0.353 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -121.8 | 12.4 | -178 | 67.7 | 0 | 0 | 0 | 0 | 113.6 | L1260 S1283 D1310 M1311 | L1260-T1285 HydrophobicContact CD1-CG2 4.39Å; L1260-T1285 HydrophobicContact CD2-CG2 4.14Å; S1283-T1285 PolarHBondContact O-N 3.44Å; S1283-T1285 PolarHBondContact OG-N 3.36Å; S1283-T1285 VanDerWaalsContact OG-N 3.08Å; S1283-T1285 PolarHBondContact OG-OG1 2.89Å; T1285-D1310 WeakPolarHBondContact O-CA 3.47Å; T1285-M1311 WeakPolarHBondContact CB-O 3.39Å; T1285-M1311 PolarHBondContact O-N 2.99Å |
| 1286 | S | 91.7 | Very high | 83.6 | Confident | 9 Ų | 9 | 58.9 Ų | 58.9 | 6% | 0.063 | 34% | 0.34 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.8 | 137.8 | -174 | -173.8 | 0 | 0 | 0 | 0 | 112.3 | I1282 S1283 V1309 D1310 | I1282-S1286 WeakPolarHBondContact CA-O 3.27Å; I1282-S1286 PolarHBondContact N-O 3.44Å; S1283-S1286 PolarHBondContact N-O 3.16Å; S1283-S1286 PolarHBondContact O-N 3.33Å; S1283-S1286 WeakPolarHBondContact OG-CB 3.37Å; S1283-S1286 PolarHBondContact OG-N 2.95Å; S1283-S1286 VanDerWaalsContact OG-N 3.14Å; S1286-V1309 CarbonylContact C-O 3.58Å; S1286-V1309 WeakPolarHBondContact CA-O 3.39Å; S1286-D1310 VanDerWaalsContact CB-OD1 3.22Å; S1286-D1310 WeakPolarHBondContact CB-OD1 3.38Å; S1286-D1310 PolarHBondContact OG-OD1 2.83Å |
| 1287 | F | 94.8 | Very high | 81.2 | Confident | 0 Ų | 0 | 61.3 Ų | 61.3 | 0% | 0 | 37% | 0.365 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.6 | 152.6 | -179.6 | -60.6 | -98.1 | 0 | 0 | 0 | 111.2 | K1264 L1267 V1268 F1271 T1280 V1281 Q1308 V1309 M1311 | K1264-F1287 HydrophobicContact CG-CE2 4.43Å; K1264-F1287 HydrophobicContact CG-CZ 3.84Å; L1267-F1287 HydrophobicContact CD2-CD2 3.43Å; L1267-F1287 VanDerWaalsContact CD2-CD2 3.43Å; L1267-F1287 HydrophobicContact CD2-CE2 3.38Å; L1267-F1287 HydrophobicContact CD2-CG 4.2Å; L1267-F1287 HydrophobicContact CD2-CZ 4.11Å; V1268-F1287 HydrophobicContact CG2-CE1 3.53Å; V1268-F1287 HydrophobicContact CG2-CZ 3.83Å; F1271-F1287 HydrophobicContact CE2-CB 3.96Å; F1271-F1287 AromaticContact CE2-CD1 3.98Å; F1271-F1287 HydrophobicContact CE2-CD1 3.98Å; F1271-F1287 HydrophobicContact CE2-CD2 4.4Å; F1271-F1287 AromaticContact CE2-CG 3.89Å; F1271-F1287 HydrophobicContact CE2-CG 3.89Å; F1271-F1287 HydrophobicContact CZ-CB 4.36Å; T1280-F1287 WeakPolarHBondContact O-CA 3.42Å; V1281-F1287 HydrophobicContact CB-CD1 4.48Å; V1281-F1287 HydrophobicContact CG1-CE1 4.47Å; V1281-F1287 HydrophobicContact CG2-CD1 4.08Å; V1281-F1287 HydrophobicContact CG2-CE1 3.9Å; F1287-Q1308 CarbonylContact O-C 3.6Å; F1287-Q1308 WeakPolarHBondContact O-CA 3.49Å; F1287-V1309 HydrophobicContact CB-CB 4.4Å; F1287-V1309 PolarHBondContact N-O 3.19Å; F1287-V1309 PolarHBondContact O-N 2.9Å; F1287-M1311 HydrophobicContact CE2-CE 3.83Å; F1287-M1311 HydrophobicContact CE2-SD 4.3Å |
| 1288 | R | 93.6 | Very high | 78.9 | Confident | 118 Ų | 118 | 66.1 Ų | 66.1 | 45% | 0.445 | 40% | 0.4 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.2 | 137.5 | 162.9 | -135.9 | 174 | -168.7 | 165.4 | 4.5 | 108.6 | H1279 T1280 I1282 L1345 | H1279-R1288 CarbonylContact C-O 3.19Å; H1279-R1288 WeakPolarHBondContact CA-O 3.45Å; H1279-R1288 WeakPolarHBondContact CB-O 3.26Å; T1280-R1288 PolarHBondContact N-O 3.23Å; T1280-R1288 PolarHBondContact O-N 3.37Å; I1282-R1288 HydrophobicContact CD1-CB 3.89Å; I1282-R1288 HydrophobicContact CD1-CG 4.2Å; I1282-R1288 HydrophobicContact CG1-CB 4.14Å; R1288-L1345 HydrophobicContact CG-CD1 4.04Å |
| 1289 | A | 93 | Very high | 76.7 | Confident | 5 Ų | 5 | 65 Ų | 65 | 4% | 0.041 | 40% | 0.396 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.2 | 143.7 | 173 | 0 | 0 | 0 | 0 | 0 | 111.1 | F1271 V1277 V1278 H1279 K1306 L1307 | F1271-A1289 HydrophobicContact CE1-CB 4.34Å; V1277-A1289 HydrophobicContact CG1-CB 4.18Å; V1278-A1289 CarbonylContact O-C 3.47Å; V1278-A1289 WeakPolarHBondContact O-CA 3.31Å; H1279-A1289 HydrophobicContact CB-CB 4.37Å; A1289-K1306 CarbonylContact O-C 3.52Å; A1289-K1306 WeakPolarHBondContact O-CA 3.45Å; A1289-L1307 HydrophobicContact CB-CD1 3.87Å; A1289-L1307 HydrophobicContact CB-CG 4.12Å; A1289-L1307 PolarHBondContact N-O 2.78Å; A1289-L1307 PolarHBondContact O-N 3.28Å |
| 1290 | E | 93.1 | Very high | 74.5 | Confident | 24 Ų | 24 | 72.3 Ų | 72.3 | 11% | 0.112 | 44% | 0.435 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.4 | 125.4 | 170.8 | -179.2 | 172.5 | 162.4 | 0 | 0 | 110.1 | V1278 R1292 P1304 V1305 K1306 | V1278-E1290 HydrophobicContact CG2-CB 4.01Å; V1278-E1290 WeakPolarHBondContact CG2-O 3.35Å; V1278-E1290 PolarHBondContact N-O 3.14Å; V1278-E1290 PolarHBondContact O-N 3.46Å; E1290-R1292 HydrophobicContact CG-CG 4.4Å; E1290-R1292 IonicContact OE1-CZ 2.79Å; E1290-R1292 IonicContact OE1-NE 2.92Å; E1290-R1292 PolarHBondContact OE1-NE 2.79Å; E1290-R1292 IonicContact OE1-NH2 3.38Å; E1290-R1292 PolarHBondContact OE1-NH2 3.22Å; E1290-R1292 IonicContact OE2-NH2 3.88Å; E1290-P1304 HydrophobicContact CG-CB 4.08Å; E1290-P1304 WeakPolarHBondContact OE1-CB 3.5Å; E1290-P1304 WeakPolarHBondContact OE1-CG 3.34Å; E1290-V1305 CarbonylContact C-O 3.55Å; E1290-V1305 VanDerWaalsContact CA-O 3.31Å; E1290-V1305 WeakPolarHBondContact CA-O 3.39Å; E1290-K1306 HydrophobicContact CB-CG 4.22Å; E1290-K1306 HydrophobicContact CG-CG 3.87Å; E1290-K1306 IonicContact OE1-NZ 3.3Å; E1290-K1306 WeakPolarHBondContact OE2-CE 3.3Å; E1290-K1306 IonicContact OE2-NZ 3.02Å; E1290-K1306 PolarHBondContact OE2-NZ 3.33Å |
| 1291 | Y | 92.3 | Very high | 72.6 | Confident | 33 Ų | 33 | 76.9 Ų | 76.9 | 13% | 0.129 | 46% | 0.456 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.2 | 120.4 | 179 | 174.6 | -132.7 | 0 | 0 | 0 | 111.5 | G1276 V1277 V1305 R1351 L1355 | G1276-Y1291 WeakPolarHBondContact O-CA 3.36Å; V1277-Y1291 HydrophobicContact CG2-CD2 3.91Å; V1277-Y1291 HydrophobicContact CG2-CG 4.36Å; Y1291-V1305 PolarHBondContact N-O 2.85Å; Y1291-V1305 PolarHBondContact O-N 3.11Å; Y1291-R1351 HydrophobicContact CD1-CG 4.19Å; Y1291-R1351 HydrophobicContact CE1-CG 4.03Å; Y1291-L1355 VanDerWaalsContact CB-CD2 3.47Å; Y1291-L1355 HydrophobicContact CD1-CB 4.41Å; Y1291-L1355 HydrophobicContact CD1-CD1 4.15Å; Y1291-L1355 HydrophobicContact CD1-CD2 3.88Å; Y1291-L1355 HydrophobicContact CD1-CG 4.39Å; Y1291-L1355 HydrophobicContact CD2-CD1 4.44Å; Y1291-L1355 HydrophobicContact CG-CD1 4.1Å; Y1291-L1355 HydrophobicContact CG-CD2 3.88Å |
| 1292 | R | 86.3 | Confident | 71.2 | Confident | 154 Ų | 154 | 76.6 Ų | 76.6 | 58% | 0.581 | 46% | 0.459 | S | S | * | . | trans | -120.4 | 113.1 | 174.6 | -62.4 | -179.1 | -176.8 | 169.8 | 5.8 | 108.3 | G1276 E1290 A1294 P1304 | G1276-R1292 WeakPolarHBondContact CA-O 3.33Å; G1276-R1292 PolarHBondContact O-N 2.85Å; E1290-R1292 HydrophobicContact CG-CG 4.4Å; E1290-R1292 IonicContact OE1-CZ 2.79Å; E1290-R1292 IonicContact OE1-NE 2.92Å; E1290-R1292 PolarHBondContact OE1-NE 2.79Å; E1290-R1292 IonicContact OE1-NH2 3.38Å; E1290-R1292 PolarHBondContact OE1-NH2 3.22Å; E1290-R1292 IonicContact OE2-NH2 3.88Å; R1292-A1294 PolarHBondContact O-N 2.84Å; R1292-A1294 VanDerWaalsContact O-N 3.1Å; R1292-P1304 HydrophobicContact CG-CB 4.18Å | ||
| 1293 | R | 68.6 | Low | 70.7 | Confident | 143 Ų | 143 | 81.7 Ų | 81.7 | 54% | 0.54 | 47% | 0.472 | S | S | . | . | trans | -67.1 | 109.8 | -176.8 | -171.6 | -174.1 | -173.8 | -157.3 | 3.4 | 110.8 | S1296 | R1293-S1296 WeakPolarHBondContact O-CB 3.36Å; R1293-S1296 PolarHBondContact O-N 2.78Å | ||
| 1294 | A | 55 | Low | 70.6 | Confident | 77 Ų | 77 | 81.8 Ų | 81.8 | 64% | 0.636 | 47% | 0.472 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.4 | 144.4 | 168.7 | 0 | 0 | 0 | 0 | 0 | 111 | R1292 S1296 | R1292-A1294 PolarHBondContact O-N 2.84Å; R1292-A1294 VanDerWaalsContact O-N 3.1Å; A1294-S1296 VanDerWaalsContact C-N 3.29Å; A1294-S1296 PolarHBondContact O-N 3.44Å |
| 1295 | G | 54 | Low | 70.9 | Confident | 89 Ų | 89 | 77.7 Ų | 77.7 | 92% | 0.918 | 45% | 0.446 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 75.9 | 1.8 | -178.3 | 0 | 0 | 0 | 0 | 0 | 116.1 | G1297 | G1295-G1297 VanDerWaalsContact C-N 3.28Å; G1295-G1297 PolarHBondContact O-N 3.04Å |
| 1296 | S | 46.3 | Very low | 71.1 | Confident | 44 Ų | 44 | 78.7 Ų | 78.7 | 31% | 0.308 | 45% | 0.445 | S | S | . | . | trans | -89.7 | 25.5 | 177.8 | -165.7 | 0 | 0 | 0 | 0 | 114.2 | R1293 A1294 S1298 | R1293-S1296 WeakPolarHBondContact O-CB 3.36Å; R1293-S1296 PolarHBondContact O-N 2.78Å; A1294-S1296 VanDerWaalsContact C-N 3.29Å; A1294-S1296 PolarHBondContact O-N 3.44Å; S1296-S1298 PolarHBondContact O-N 2.88Å | ||
| 1297 | G | 37 | Very low | 71.3 | Confident | 83 Ų | 83 | 78.2 Ų | 78.2 | 86% | 0.856 | 44% | 0.442 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75.9 | 75.5 | -174.1 | 0 | 0 | 0 | 0 | 0 | 114.1 | G1295 | G1295-G1297 VanDerWaalsContact C-N 3.28Å; G1295-G1297 PolarHBondContact O-N 3.04Å |
| 1298 | S | 40.9 | Very low | 71.3 | Confident | 118 Ų | 118 | 80.6 Ų | 80.6 | 83% | 0.825 | 45% | 0.453 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -164.8 | -27.7 | 164.4 | -172.8 | 0 | 0 | 0 | 0 | 112.7 | S1296 L1300 | S1296-S1298 PolarHBondContact O-N 2.88Å; S1298-L1300 PolarHBondContact O-N 3.13Å |
| 1299 | S | 43.2 | Very low | 71.4 | Confident | 66 Ų | 66 | 75 Ų | 75 | 46% | 0.462 | 43% | 0.432 | S | S | . | . | trans | -90.2 | 100.7 | -179.2 | -170.2 | 0 | 0 | 0 | 0 | 112.6 | L1301 A1302 | S1299-L1301 PolarHBondContact O-N 2.91Å; S1299-A1302 PolarHBondContact O-N 3.43Å | ||
| 1300 | L | 46.7 | Very low | 71.4 | Confident | 180 Ų | 180 | 76.4 Ų | 76.4 | 94% | 0.942 | 44% | 0.438 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.7 | -6.5 | 170.7 | -73.2 | 165.8 | 0 | 0 | 0 | 114.5 | S1298 | S1298-L1300 PolarHBondContact O-N 3.13Š|
| 1301 | L | 50.7 | Low | 71.4 | Confident | 154 Ų | 154 | 75.6 Ų | 75.6 | 81% | 0.806 | 44% | 0.435 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -99.3 | -9 | -175.2 | -52.7 | 177.3 | 0 | 0 | 0 | 113.2 | S1299 R1303 | S1299-L1301 PolarHBondContact O-N 2.91Å; L1301-R1303 PolarHBondContact O-N 2.89Å |
| 1302 | A | 60.6 | Low | 71.2 | Confident | 41 Ų | 41 | 78.1 Ų | 78.1 | 34% | 0.339 | 45% | 0.453 | S | S | . | . | trans | -82.5 | 71.8 | -166.8 | 0 | 0 | 0 | 0 | 0 | 114.3 | S1299 | S1299-A1302 PolarHBondContact O-N 3.43Š| ||
| 1303 | R | 75.2 | Confident | 71.2 | Confident | 197 Ų | 197 | 76.6 Ų | 76.6 | 74% | 0.743 | 45% | 0.448 | S | S | * | . | trans | -43.7 | 134.8 | 175.4 | -75 | -178.9 | 167.9 | 174.8 | -3.7 | 112.9 | L1301 R1351 | L1301-R1303 PolarHBondContact O-N 2.89Å; R1303-R1351 PolarHBondContact O-NH1 3.4Å | ||
| 1304 | P | 85.9 | Confident | 71.4 | Confident | 40 Ų | 40 | 72.1 Ų | 72.1 | 26% | 0.26 | 44% | 0.441 | S | S | . | . | trans | -67.9 | 159.7 | 176 | 30.5 | -35.9 | 0 | 0 | 0 | 111.2 | E1290 R1292 G1347 | E1290-P1304 HydrophobicContact CG-CB 4.08Å; E1290-P1304 WeakPolarHBondContact OE1-CB 3.5Å; E1290-P1304 WeakPolarHBondContact OE1-CG 3.34Å; R1292-P1304 HydrophobicContact CG-CB 4.18Å; P1304-G1347 VanDerWaalsContact O-CA 3.29Å; P1304-G1347 WeakPolarHBondContact O-CA 3.33Å | ||
| 1305 | V | 91.1 | Very high | 71.5 | Confident | 0 Ų | 0 | 71.7 Ų | 71.7 | 0% | 0 | 43% | 0.431 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.1 | 119.9 | 169.3 | 171 | 0 | 0 | 0 | 0 | 108.1 | E1290 Y1291 L1307 L1344 S1346 R1351 F1352 L1355 | E1290-V1305 CarbonylContact C-O 3.55Å; E1290-V1305 VanDerWaalsContact CA-O 3.31Å; E1290-V1305 WeakPolarHBondContact CA-O 3.39Å; Y1291-V1305 PolarHBondContact N-O 2.85Å; Y1291-V1305 PolarHBondContact O-N 3.11Å; V1305-L1307 HydrophobicContact CG1-CD2 4.27Å; V1305-L1344 HydrophobicContact CG1-CD1 4.11Å; V1305-S1346 CarbonylContact C-O 3.54Å; V1305-S1346 WeakPolarHBondContact CA-O 3.5Å; V1305-R1351 HydrophobicContact CG2-CB 3.82Å; V1305-R1351 HydrophobicContact CG2-CG 3.86Å; V1305-F1352 HydrophobicContact CG1-CB 3.95Å; V1305-F1352 HydrophobicContact CG1-CD2 4.22Å; V1305-L1355 HydrophobicContact CG1-CD2 4.28Å |
| 1306 | K | 93.8 | Very high | 70.8 | Confident | 77 Ų | 77 | 71 Ų | 71 | 34% | 0.335 | 42% | 0.424 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.8 | 132.5 | 171.2 | -58.8 | 179.9 | -171.7 | -104.1 | 0 | 108.3 | A1289 E1290 L1345 S1346 | A1289-K1306 CarbonylContact O-C 3.52Å; A1289-K1306 WeakPolarHBondContact O-CA 3.45Å; E1290-K1306 HydrophobicContact CB-CG 4.22Å; E1290-K1306 HydrophobicContact CG-CG 3.87Å; E1290-K1306 IonicContact OE1-NZ 3.3Å; E1290-K1306 WeakPolarHBondContact OE2-CE 3.3Å; E1290-K1306 IonicContact OE2-NZ 3.02Å; E1290-K1306 PolarHBondContact OE2-NZ 3.33Å; K1306-L1345 HydrophobicContact CB-CB 4.31Å; K1306-L1345 WeakPolarHBondContact O-CA 3.5Å; K1306-L1345 WeakPolarHBondContact O-CB 3.49Å; K1306-L1345 PolarHBondContact O-N 3.46Å; K1306-S1346 PolarHBondContact N-O 2.94Å; K1306-S1346 PolarHBondContact O-N 3.19Å; K1306-S1346 VanDerWaalsContact O-N 3.13Å |
| 1307 | L | 95.2 | Very high | 70 | Confident | 0 Ų | 0 | 72.7 Ų | 72.7 | 0% | 0 | 45% | 0.448 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141 | 160.3 | -179.2 | 65.1 | 89 | 0 | 0 | 0 | 111.6 | A1289 V1305 V1309 F1342 Q1343 F1352 L1355 | A1289-L1307 HydrophobicContact CB-CD1 3.87Å; A1289-L1307 HydrophobicContact CB-CG 4.12Å; A1289-L1307 PolarHBondContact N-O 2.78Å; A1289-L1307 PolarHBondContact O-N 3.28Å; V1305-L1307 HydrophobicContact CG1-CD2 4.27Å; L1307-V1309 HydrophobicContact CD1-CG2 3.25Å; L1307-F1342 HydrophobicContact CD1-CD1 4.26Å; L1307-Q1343 CarbonylContact C-O 3.59Å; L1307-Q1343 WeakPolarHBondContact CA-O 3.31Å; L1307-Q1343 VanDerWaalsContact CB-O 3.23Å; L1307-Q1343 WeakPolarHBondContact CB-O 3.46Å; L1307-F1352 HydrophobicContact CB-CD2 4.17Å; L1307-F1352 HydrophobicContact CB-CE2 3.95Å; L1307-F1352 HydrophobicContact CD2-CD2 3.92Å; L1307-F1352 HydrophobicContact CD2-CE2 4.07Å; L1307-L1355 HydrophobicContact CD2-CD2 3.58Å; L1307-L1355 HydrophobicContact CD2-CG 4.42Å |
| 1308 | Q | 94.8 | Very high | 69.8 | Low | 49 Ų | 49 | 76.1 Ų | 76.1 | 23% | 0.229 | 45% | 0.446 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.8 | 147.5 | 169.4 | -173 | 169.4 | -56.6 | 0 | 0 | 108.6 | I1282 F1287 D1310 F1342 Q1343 L1345 | I1282-Q1308 HydrophobicContact CD1-CG 4.16Å; F1287-Q1308 CarbonylContact O-C 3.6Å; F1287-Q1308 WeakPolarHBondContact O-CA 3.49Å; Q1308-D1310 PolarHBondContact NE2-OD1 3.25Å; Q1308-D1310 PolarHBondContact NE2-OD2 3.03Å; Q1308-F1342 CarbonylContact O-C 3.53Å; Q1308-F1342 WeakPolarHBondContact O-CA 3.33Å; Q1308-Q1343 PolarHBondContact N-O 3.13Å; Q1308-Q1343 PolarHBondContact O-N 3.43Å; Q1308-L1345 HydrophobicContact CB-CD1 4.23Å; Q1308-L1345 HydrophobicContact CB-CD2 4.25Å; Q1308-L1345 HydrophobicContact CB-CG 4.34Å |
| 1309 | V | 95.7 | Very high | 69.2 | Low | 0 Ų | 0 | 76.5 Ų | 76.5 | 0% | 0 | 45% | 0.448 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.6 | 111.6 | 174.7 | -168 | 0 | 0 | 0 | 0 | 109.2 | L1267 F1271 S1286 F1287 L1307 V1340 N1341 F1342 | L1267-V1309 HydrophobicContact CD1-CG1 4.31Å; L1267-V1309 HydrophobicContact CD2-CB 4.46Å; L1267-V1309 HydrophobicContact CD2-CG1 3.97Å; F1271-V1309 HydrophobicContact CE1-CG2 4.23Å; F1271-V1309 HydrophobicContact CZ-CB 4.21Å; F1271-V1309 HydrophobicContact CZ-CG2 3.78Å; S1286-V1309 CarbonylContact C-O 3.58Å; S1286-V1309 WeakPolarHBondContact CA-O 3.39Å; F1287-V1309 HydrophobicContact CB-CB 4.4Å; F1287-V1309 PolarHBondContact N-O 3.19Å; F1287-V1309 PolarHBondContact O-N 2.9Å; L1307-V1309 HydrophobicContact CD1-CG2 3.25Å; V1309-V1340 HydrophobicContact CG1-CG1 3.45Å; V1309-V1340 VanDerWaalsContact CG1-CG1 3.45Å; V1309-N1341 CarbonylContact C-O 3.58Å; V1309-N1341 VanDerWaalsContact CA-O 3.31Å; V1309-N1341 WeakPolarHBondContact CA-O 3.27Å; V1309-F1342 HydrophobicContact CB-CD1 4.24Å; V1309-F1342 HydrophobicContact CB-CE1 4.41Å; V1309-F1342 HydrophobicContact CG1-CD1 3.81Å; V1309-F1342 HydrophobicContact CG1-CD2 4.47Å; V1309-F1342 HydrophobicContact CG1-CE1 3.7Å; V1309-F1342 HydrophobicContact CG1-CE2 4.38Å; V1309-F1342 HydrophobicContact CG1-CG 4.18Å; V1309-F1342 HydrophobicContact CG1-CZ 4.01Å; V1309-F1342 HydrophobicContact CG2-CD1 3.4Å; V1309-F1342 VanDerWaalsContact CG2-CD1 3.4Å; V1309-F1342 HydrophobicContact CG2-CE1 3.75Å; V1309-F1342 HydrophobicContact CG2-CG 4.22Å |
| 1310 | D | 93.7 | Very high | 68.8 | Low | 35 Ų | 35 | 79.3 Ų | 79.3 | 19% | 0.187 | 46% | 0.462 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.9 | 135.8 | -178.2 | -62.3 | -48.8 | 0 | 0 | 0 | 110.9 | T1285 S1286 Q1308 V1340 N1341 | T1285-D1310 WeakPolarHBondContact O-CA 3.47Å; S1286-D1310 VanDerWaalsContact CB-OD1 3.22Å; S1286-D1310 WeakPolarHBondContact CB-OD1 3.38Å; S1286-D1310 PolarHBondContact OG-OD1 2.83Å; Q1308-D1310 PolarHBondContact NE2-OD1 3.25Å; Q1308-D1310 PolarHBondContact NE2-OD2 3.03Å; D1310-V1340 CarbonylContact O-C 3.58Å; D1310-V1340 WeakPolarHBondContact O-CA 3.39Å; D1310-N1341 PolarHBondContact N-O 2.72Å; D1310-N1341 PolarHBondContact O-N 3.46Å |
| 1311 | M | 92.7 | Very high | 68 | Low | 7 Ų | 7 | 74.1 Ų | 74.1 | 3% | 0.034 | 45% | 0.453 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.7 | 117.7 | 178.1 | -56.6 | -174.2 | -62 | 0 | 0 | 109.6 | L1260 L1263 K1264 L1267 P1284 T1285 F1287 A1339 V1340 | L1260-M1311 HydrophobicContact CD1-CB 4.47Å; L1260-M1311 HydrophobicContact CD1-CE 3.86Å; L1263-M1311 HydrophobicContact CD2-SD 4.06Å; L1263-M1311 HydrophobicContact CG-SD 3.91Å; K1264-M1311 HydrophobicContact CB-CE 4.01Å; K1264-M1311 HydrophobicContact CG-CE 4.14Å; L1267-M1311 HydrophobicContact CD2-SD 4.35Å; P1284-M1311 WeakPolarHBondContact O-CE 3.46Å; T1285-M1311 WeakPolarHBondContact CB-O 3.39Å; T1285-M1311 PolarHBondContact O-N 2.99Å; F1287-M1311 HydrophobicContact CE2-CE 3.83Å; F1287-M1311 HydrophobicContact CE2-SD 4.3Å; M1311-A1339 WeakPolarHBondContact CA-O 3.11Å; M1311-V1340 HydrophobicContact CG-CG1 4.48Å; M1311-V1340 HydrophobicContact CG-CG2 4.29Å |
| 1312 | V | 88.5 | Confident | 67 | Low | 86 Ų | 86 | 73 Ų | 73 | 52% | 0.521 | 46% | 0.458 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.7 | 130.5 | -177 | -177.6 | 0 | 0 | 0 | 0 | 109.6 | A1314 Y1338 A1339 | V1312-A1314 PolarHBondContact O-N 3.26Å; V1312-Y1338 CarbonylContact O-C 3.56Å; V1312-Y1338 VanDerWaalsContact O-CA 3.3Å; V1312-Y1338 WeakPolarHBondContact O-CA 3.31Å; V1312-A1339 PolarHBondContact N-O 3.02Å; V1312-A1339 PolarHBondContact O-N 2.96Å |
| 1313 | R | 86.5 | Confident | 65.5 | Low | 123 Ų | 123 | 74 Ų | 74 | 46% | 0.464 | 47% | 0.472 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.1 | 119 | 172.9 | -167.8 | -176.5 | -172.6 | 95.3 | -9.4 | 108.5 | E1336 Y1338 | R1313-E1336 IonicContact CZ-OE1 2.74Å; R1313-E1336 IonicContact NH1-OE1 2.61Å; R1313-E1336 PolarHBondContact NH1-OE1 3.17Å; R1313-E1336 IonicContact NH1-OE2 2.68Å; R1313-E1336 IonicContact NH2-OE1 3Å; R1313-E1336 PolarHBondContact NH2-OE1 3.21Å; R1313-Y1338 HydrophobicContact CB-CD1 4.15Å; R1313-Y1338 HydrophobicContact CB-CE1 3.73Å; R1313-Y1338 HydrophobicContact CG-CE1 4.1Å; R1313-Y1338 PolarHBondContact NH1-OH 3.21Å |
| 1314 | A | 71.5 | Confident | 63.6 | Low | 49 Ų | 49 | 74 Ų | 74 | 41% | 0.405 | 48% | 0.48 | S | S | . | . | trans | -89.1 | -14 | -177.7 | 0 | 0 | 0 | 0 | 0 | 112.9 | M1254 V1312 G1316 V1337 | M1254-A1314 HydrophobicContact CE-CB 3.75Å; V1312-A1314 PolarHBondContact O-N 3.26Å; A1314-G1316 PolarHBondContact O-N 3.21Å; A1314-V1337 HydrophobicContact CB-CB 4.33Å; A1314-V1337 HydrophobicContact CB-CG1 4.02Å; A1314-V1337 PolarHBondContact N-O 2.96Å | ||
| 1315 | T | 58.6 | Low | 61.1 | Low | 67 Ų | 67 | 80.3 Ų | 80.3 | 41% | 0.411 | 51% | 0.506 | S | S | . | . | trans | -79.7 | 98.8 | 177.5 | -35.7 | 0 | 0 | 0 | 0 | 111.1 | V1337 | T1315-V1337 PolarHBondContact OG1-N 2.97Š| ||
| 1316 | G | 38.2 | Very low | 58.4 | Low | 75 Ų | 75 | 87.7 Ų | 87.7 | 77% | 0.773 | 55% | 0.546 | S | S | * | . | trans | -150.3 | 124.3 | 168 | 0 | 0 | 0 | 0 | 0 | 110.5 | A1314 | A1314-G1316 PolarHBondContact O-N 3.21Š| ||
| 1317 | G | 30.4 | Very low | 55.6 | Low | 80 Ų | 80 | 91.8 Ų | 91.8 | 83% | 0.825 | 57% | 0.571 | S | S | * | * | trans | 97.9 | 53.7 | 176.2 | 0 | 0 | 0 | 0 | 0 | 116.6 | ||||
| 1318 | I | 31.7 | Very low | 52.6 | Low | 155 Ų | 155 | 99.5 Ų | 99.5 | 80% | 0.795 | 61% | 0.611 | S | S | * | * | trans | -137.2 | 109.6 | 148.6 | -20 | 174.6 | 0 | 0 | 0 | 109.3 | T1320 | I1318-T1320 HydrophobicContact CG2-CG2 4.12Š| ||
| 1319 | S | 28.5 | Very low | 49.7 | Very low | 125 Ų | 125 | 104.4 Ų | 104.4 | 87% | 0.874 | 64% | 0.639 | S | S | * | * | trans | -106.5 | 89.8 | 172.3 | 51.9 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 1320 | T | 34.5 | Very low | 46.7 | Very low | 125 Ų | 125 | 109.5 Ų | 109.5 | 77% | 0.767 | 67% | 0.674 | S | S | * | * | trans | -96.9 | 114.6 | 170.6 | 52.2 | 0 | 0 | 0 | 0 | 108.6 | I1318 | I1318-T1320 HydrophobicContact CG2-CG2 4.12Š| ||
| 1321 | G | 29.4 | Very low | 44.2 | Very low | 72 Ų | 72 | 115.2 Ų | 115.2 | 74% | 0.742 | 70% | 0.703 | S | S | * | * | trans | -89.2 | -155.5 | -176.2 | 0 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 1322 | S | 30.1 | Very low | 41.8 | Very low | 131 Ų | 131 | 117.9 Ų | 117.9 | 92% | 0.916 | 72% | 0.722 | S | S | * | * | trans | 72.3 | 116.8 | -177.2 | -163.6 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 1323 | G | 29.1 | Very low | 40 | Very low | 62 Ų | 62 | 117.2 Ų | 117.2 | 64% | 0.639 | 72% | 0.722 | S | S | * | * | trans | -77.2 | 168.2 | -165.4 | 0 | 0 | 0 | 0 | 0 | 116.7 | ||||
| 1324 | H | 35.3 | Very low | 38.4 | Very low | 195 Ų | 195 | 118.4 Ų | 118.4 | 90% | 0.903 | 73% | 0.732 | S | S | * | * | -148.5 | 148.2 | 111.4 | -101.4 | 68 | 0 | 0 | 0 | 108.6 | |||||
| 1325 | Q | 33.6 | Very low | 37.8 | Very low | 174 Ų | 174 | 126 Ų | 126 | 81% | 0.813 | 75% | 0.75 | S | S | * | * | trans | -85.6 | 133.6 | 165.2 | -69.7 | 177.6 | -10.5 | 0 | 0 | 108.6 | ||||
| 1326 | N | 35 | Very low | 38.5 | Very low | 155 Ų | 155 | 124.8 Ų | 124.8 | 83% | 0.829 | 74% | 0.74 | S | S | * | * | trans | 165 | 154.1 | 141 | -82.5 | -18.7 | 0 | 0 | 0 | 110.3 | ||||
| 1327 | N | 33.7 | Very low | 40.6 | Very low | 162 Ų | 162 | 122.6 Ų | 122.6 | 87% | 0.866 | 71% | 0.712 | S | S | * | * | trans | 55.4 | 84.5 | -175 | -83.4 | -20.7 | 0 | 0 | 0 | 116.1 | N1329 | N1327-N1329 PolarHBondContact O-N 3.29Š| ||
| 1328 | I | 33.7 | Very low | 43.4 | Very low | 162 Ų | 162 | 119.6 Ų | 119.6 | 83% | 0.831 | 68% | 0.676 | S | S | * | * | trans | -89.5 | 84.9 | 163.9 | -56.4 | 178.6 | 0 | 0 | 0 | 109.1 | ||||
| 1329 | N | 33 | Very low | 46.3 | Very low | 153 Ų | 153 | 113.1 Ų | 113.1 | 82% | 0.818 | 65% | 0.645 | S | S | * | * | S | Bend | trans | -155.2 | 138.1 | 158.4 | -97.4 | -39.6 | 0 | 0 | 0 | 108.4 | N1327 | N1327-N1329 PolarHBondContact O-N 3.29Š|
| 1330 | S | 33.7 | Very low | 49.4 | Very low | 107 Ų | 107 | 107.1 Ų | 107.1 | 75% | 0.748 | 60% | 0.604 | S | S | * | * | trans | 60 | 85 | -173.3 | -177.2 | 0 | 0 | 0 | 0 | 116.4 | ||||
| 1331 | I | 40.1 | Very low | 52.2 | Low | 155 Ų | 155 | 102.8 Ų | 102.8 | 80% | 0.795 | 58% | 0.576 | S | S | * | * | trans | -99.7 | 119.1 | 157.1 | -70.5 | -180 | 0 | 0 | 0 | 109.2 | ||||
| 1332 | S | 43.2 | Very low | 55.3 | Low | 62 Ų | 62 | 99.3 Ų | 99.3 | 43% | 0.434 | 54% | 0.54 | S | S | . | . | trans | -75.7 | 147.9 | -159 | -41.8 | 0 | 0 | 0 | 0 | 116 | E1334 | S1332-E1334 PolarHBondContact O-N 3.09Š| ||
| 1333 | S | 49.6 | Very low | 58.4 | Low | 72 Ų | 72 | 96.3 Ų | 96.3 | 50% | 0.503 | 51% | 0.512 | S | S | . | . | G | 310 helix | trans | -65.5 | -3.4 | 176.4 | 53.7 | 0 | 0 | 0 | 0 | 115.7 | G1257 R1335 | G1257-S1333 CarbonylContact C-O 3.13Å; S1333-R1335 VanDerWaalsContact C-N 3.35Å; S1333-R1335 PolarHBondContact O-N 3.24Å |
| 1334 | E | 52.9 | Low | 61.6 | Low | 148 Ų | 148 | 94.5 Ų | 94.5 | 69% | 0.692 | 49% | 0.487 | S | S | * | . | G | 310 helix | trans | -69.9 | -27.4 | -174.7 | -62.1 | -179 | 113.4 | 0 | 0 | 113.7 | S1332 E1336 | S1332-E1334 PolarHBondContact O-N 3.09Å; E1334-E1336 VanDerWaalsContact C-N 3.28Å; E1334-E1336 PolarHBondContact O-N 3.4Å |
| 1335 | R | 59.7 | Low | 64.3 | Low | 208 Ų | 208 | 88.3 Ų | 88.3 | 79% | 0.785 | 46% | 0.46 | S | S | * | . | G | 310 helix | trans | -79.4 | -5.5 | -175.7 | -60.3 | -172.7 | -175.5 | -174.1 | 3.2 | 114.2 | S1333 | S1333-R1335 VanDerWaalsContact C-N 3.35Å; S1333-R1335 PolarHBondContact O-N 3.24Å |
| 1336 | E | 72.8 | Confident | 67 | Low | 42 Ų | 42 | 82.5 Ų | 82.5 | 20% | 0.196 | 44% | 0.439 | C | S | . | . | trans | -84.5 | 128.4 | -178 | -52.1 | -141.4 | 128.8 | 0 | 0 | 111.8 | K1256 G1257 A1259 R1313 E1334 Y1338 | K1256-E1336 CarbonylContact C-O 3.34Å; G1257-E1336 PolarHBondContact N-O 3.3Å; A1259-E1336 WeakPolarHBondContact CA-OE2 3.28Å; R1313-E1336 IonicContact CZ-OE1 2.74Å; R1313-E1336 IonicContact NH1-OE1 2.61Å; R1313-E1336 PolarHBondContact NH1-OE1 3.17Å; R1313-E1336 IonicContact NH1-OE2 2.68Å; R1313-E1336 IonicContact NH2-OE1 3Å; R1313-E1336 PolarHBondContact NH2-OE1 3.21Å; E1334-E1336 VanDerWaalsContact C-N 3.28Å; E1334-E1336 PolarHBondContact O-N 3.4Å; E1336-Y1338 HydrophobicContact CB-CD2 4.5Å; E1336-Y1338 HydrophobicContact CB-CE2 3.95Å | ||
| 1337 | V | 82.7 | Confident | 69.5 | Low | 30 Ų | 30 | 76.4 Ų | 76.4 | 18% | 0.182 | 41% | 0.413 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.3 | 133 | 175.5 | -171.5 | 0 | 0 | 0 | 0 | 109.7 | M1254 V1255 K1256 A1314 T1315 | M1254-V1337 HydrophobicContact CE-CG1 3.82Å; V1255-V1337 WeakPolarHBondContact O-CA 3.45Å; K1256-V1337 HydrophobicContact CB-CG2 4.48Å; K1256-V1337 HydrophobicContact CG-CG1 3.99Å; K1256-V1337 HydrophobicContact CG-CG2 4.05Å; A1314-V1337 HydrophobicContact CB-CB 4.33Å; A1314-V1337 HydrophobicContact CB-CG1 4.02Å; A1314-V1337 PolarHBondContact N-O 2.96Å; T1315-V1337 PolarHBondContact OG1-N 2.97Å |
| 1338 | Y | 89.5 | Confident | 72 | Confident | 16 Ų | 16 | 71.3 Ų | 71.3 | 6% | 0.063 | 39% | 0.388 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.2 | 132.9 | -179.8 | -73 | -84.8 | 0 | 0 | 0 | 111 | V1255 R1258 L1260 L1263 V1312 R1313 E1336 | V1255-Y1338 PolarHBondContact N-O 3.05Å; V1255-Y1338 PolarHBondContact O-N 2.73Å; R1258-Y1338 WeakPolarHBondContact O-CD2 3.37Å; L1260-Y1338 HydrophobicContact CB-CE1 4.25Å; L1260-Y1338 HydrophobicContact CB-CE2 4.38Å; L1260-Y1338 HydrophobicContact CD1-CD1 4.29Å; L1260-Y1338 HydrophobicContact CD1-CE1 3.89Å; L1263-Y1338 VanDerWaalsContact CD2-CB 3.43Å; L1263-Y1338 HydrophobicContact CD2-CD1 4.47Å; L1263-Y1338 HydrophobicContact CD2-CD2 4.21Å; L1263-Y1338 HydrophobicContact CD2-CG 3.8Å; V1312-Y1338 CarbonylContact O-C 3.56Å; V1312-Y1338 VanDerWaalsContact O-CA 3.3Å; V1312-Y1338 WeakPolarHBondContact O-CA 3.31Å; R1313-Y1338 HydrophobicContact CB-CD1 4.15Å; R1313-Y1338 HydrophobicContact CB-CE1 3.73Å; R1313-Y1338 HydrophobicContact CG-CE1 4.1Å; R1313-Y1338 PolarHBondContact NH1-OH 3.21Å; E1336-Y1338 HydrophobicContact CB-CD2 4.5Å; E1336-Y1338 HydrophobicContact CB-CE2 3.95Å |
| 1339 | A | 91.7 | Very high | 74.5 | Confident | 19 Ų | 19 | 65.7 Ų | 65.7 | 16% | 0.157 | 36% | 0.362 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.4 | 124.1 | 167.6 | 0 | 0 | 0 | 0 | 0 | 109 | V1252 M1254 M1311 V1312 | V1252-A1339 HydrophobicContact CG1-CB 4.1Å; M1254-A1339 HydrophobicContact CE-CB 4.45Å; M1254-A1339 HydrophobicContact SD-CB 3.64Å; M1311-A1339 WeakPolarHBondContact CA-O 3.11Å; V1312-A1339 PolarHBondContact N-O 3.02Å; V1312-A1339 PolarHBondContact O-N 2.96Å |
| 1340 | V | 93.7 | Very high | 76.9 | Confident | 0 Ų | 0 | 67.7 Ų | 67.7 | 0% | 0 | 36% | 0.358 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.5 | 103.5 | 176 | -174.7 | 0 | 0 | 0 | 0 | 108.1 | V1252 V1253 V1255 L1263 L1267 V1309 D1310 M1311 F1342 L1363 | V1252-V1340 WeakPolarHBondContact CA-O 3.37Å; V1253-V1340 HydrophobicContact CB-CB 4.44Å; V1253-V1340 PolarHBondContact N-O 3Å; V1253-V1340 PolarHBondContact O-N 3.37Å; V1255-V1340 HydrophobicContact CG2-CG2 4.28Å; L1263-V1340 HydrophobicContact CD1-CG2 4.22Å; L1263-V1340 HydrophobicContact CD2-CG2 4Å; L1263-V1340 HydrophobicContact CG-CG2 4.48Å; L1267-V1340 HydrophobicContact CD1-CG1 4.03Å; V1309-V1340 HydrophobicContact CG1-CG1 3.45Å; V1309-V1340 VanDerWaalsContact CG1-CG1 3.45Å; D1310-V1340 CarbonylContact O-C 3.58Å; D1310-V1340 WeakPolarHBondContact O-CA 3.39Å; M1311-V1340 HydrophobicContact CG-CG1 4.48Å; M1311-V1340 HydrophobicContact CG-CG2 4.29Å; V1340-F1342 HydrophobicContact CB-CE2 4.26Å; V1340-F1342 HydrophobicContact CG1-CD2 4.32Å; V1340-F1342 HydrophobicContact CG1-CE2 3.62Å; V1340-F1342 HydrophobicContact CG1-CZ 3.85Å; V1340-L1363 HydrophobicContact CB-CD2 4.43Å; V1340-L1363 HydrophobicContact CG1-CD2 4.38Å; V1340-L1363 HydrophobicContact CG2-CD2 4.2Å |
| 1341 | N | 93.6 | Very high | 79.5 | Confident | 33 Ų | 33 | 65.6 Ų | 65.6 | 18% | 0.176 | 33% | 0.334 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.9 | 114 | -178 | 176.4 | 46.2 | 0 | 0 | 0 | 111 | V1252 V1309 D1310 | V1252-N1341 HydrophobicContact CG2-CB 4.22Å; V1309-N1341 CarbonylContact C-O 3.58Å; V1309-N1341 VanDerWaalsContact CA-O 3.31Å; V1309-N1341 WeakPolarHBondContact CA-O 3.27Å; D1310-N1341 PolarHBondContact N-O 2.72Å; D1310-N1341 PolarHBondContact O-N 3.46Å |
| 1342 | F | 95.5 | Very high | 82 | Confident | 0 Ų | 0 | 58.2 Ų | 58.2 | 0% | 0 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.8 | 120.2 | 170.5 | -57.2 | -102.9 | 0 | 0 | 0 | 108.7 | N1250 H1251 V1253 L1267 L1307 Q1308 V1309 V1340 F1352 L1359 | N1250-F1342 CarbonylContact C-O 3.46Å; N1250-F1342 WeakPolarHBondContact CA-O 3.47Å; H1251-F1342 HydrophobicContact CB-CB 4.33Å; H1251-F1342 PolarHBondContact N-O 3.24Å; H1251-F1342 WeakPolarHBondContact O-CD2 3.48Å; H1251-F1342 PolarHBondContact O-N 2.79Å; V1253-F1342 HydrophobicContact CB-CE2 4.29Å; V1253-F1342 HydrophobicContact CG2-CD2 4.21Å; V1253-F1342 HydrophobicContact CG2-CE2 3.7Å; L1267-F1342 HydrophobicContact CD1-CZ 4.17Å; L1307-F1342 HydrophobicContact CD1-CD1 4.26Å; Q1308-F1342 CarbonylContact O-C 3.53Å; Q1308-F1342 WeakPolarHBondContact O-CA 3.33Å; V1309-F1342 HydrophobicContact CB-CD1 4.24Å; V1309-F1342 HydrophobicContact CB-CE1 4.41Å; V1309-F1342 HydrophobicContact CG1-CD1 3.81Å; V1309-F1342 HydrophobicContact CG1-CD2 4.47Å; V1309-F1342 HydrophobicContact CG1-CE1 3.7Å; V1309-F1342 HydrophobicContact CG1-CE2 4.38Å; V1309-F1342 HydrophobicContact CG1-CG 4.18Å; V1309-F1342 HydrophobicContact CG1-CZ 4.01Å; V1309-F1342 HydrophobicContact CG2-CD1 3.4Å; V1309-F1342 VanDerWaalsContact CG2-CD1 3.4Å; V1309-F1342 HydrophobicContact CG2-CE1 3.75Å; V1309-F1342 HydrophobicContact CG2-CG 4.22Å; V1340-F1342 HydrophobicContact CB-CE2 4.26Å; V1340-F1342 HydrophobicContact CG1-CD2 4.32Å; V1340-F1342 HydrophobicContact CG1-CE2 3.62Å; V1340-F1342 HydrophobicContact CG1-CZ 3.85Å; F1342-F1352 HydrophobicContact CB-CE2 4.5Å; F1342-F1352 WeakPolarHBondContact O-CZ 3.44Å; F1342-L1359 HydrophobicContact CD1-CD1 4.05Å; F1342-L1359 HydrophobicContact CE1-CB 3.87Å; F1342-L1359 HydrophobicContact CE1-CD1 3.79Å; F1342-L1359 HydrophobicContact CE1-CG 4.44Å; F1342-L1359 HydrophobicContact CZ-CB 4.16Å |
| 1343 | Q | 95 | Very high | 84.3 | Confident | 68 Ų | 68 | 59.2 Ų | 59.2 | 32% | 0.318 | 29% | 0.292 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.7 | 127.6 | -177.7 | 177.5 | 171.8 | 99.5 | 0 | 0 | 112 | T1249 N1250 L1307 Q1308 L1345 | T1249-Q1343 CarbonylContact O-C 3.56Å; T1249-Q1343 WeakPolarHBondContact O-CA 3.46Å; N1250-Q1343 WeakPolarHBondContact OD1-CG 3.41Å; N1250-Q1343 PolarHBondContact OD1-NE2 2.89Å; L1307-Q1343 CarbonylContact C-O 3.59Å; L1307-Q1343 WeakPolarHBondContact CA-O 3.31Å; L1307-Q1343 VanDerWaalsContact CB-O 3.23Å; L1307-Q1343 WeakPolarHBondContact CB-O 3.46Å; Q1308-Q1343 PolarHBondContact N-O 3.13Å; Q1308-Q1343 PolarHBondContact O-N 3.43Å; Q1343-L1345 PolarHBondContact O-N 2.9Å |
| 1344 | L | 95.3 | Very high | 86.2 | Confident | 24 Ų | 24 | 63.3 Ų | 63.3 | 13% | 0.126 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.7 | 116.9 | 178.4 | 180 | 54.3 | 0 | 0 | 0 | 111.6 | T1249 V1305 T1349 F1352 | T1249-L1344 PolarHBondContact O-N 3.26Å; V1305-L1344 HydrophobicContact CG1-CD1 4.11Å; L1344-T1349 HydrophobicContact CD2-CG2 4.13Å; L1344-F1352 HydrophobicContact CB-CD1 3.93Å; L1344-F1352 HydrophobicContact CB-CD2 3.86Å; L1344-F1352 HydrophobicContact CB-CE1 3.92Å; L1344-F1352 HydrophobicContact CB-CE2 3.84Å; L1344-F1352 HydrophobicContact CB-CG 3.9Å; L1344-F1352 HydrophobicContact CB-CZ 3.87Å; L1344-F1352 HydrophobicContact CD1-CB 3.9Å; L1344-F1352 HydrophobicContact CD1-CD2 3.93Å; L1344-F1352 HydrophobicContact CD1-CG 3.93Å; L1344-F1352 HydrophobicContact CD2-CB 4.06Å; L1344-F1352 HydrophobicContact CD2-CD1 4.07Å; L1344-F1352 HydrophobicContact CD2-CG 4.05Å; L1344-F1352 HydrophobicContact CG-CB 4.44Å; L1344-F1352 HydrophobicContact CG-CD1 4.45Å; L1344-F1352 HydrophobicContact CG-CD2 4.37Å; L1344-F1352 HydrophobicContact CG-CG 4.18Å |
| 1345 | L | 92.2 | Very high | 88 | Confident | 64 Ų | 64 | 56.3 Ų | 56.3 | 34% | 0.335 | 26% | 0.264 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.5 | -39.8 | 175.5 | -57.5 | 177.3 | 0 | 0 | 0 | 112 | R1288 K1306 Q1308 Q1343 | R1288-L1345 HydrophobicContact CG-CD1 4.04Å; K1306-L1345 HydrophobicContact CB-CB 4.31Å; K1306-L1345 WeakPolarHBondContact O-CA 3.5Å; K1306-L1345 WeakPolarHBondContact O-CB 3.49Å; K1306-L1345 PolarHBondContact O-N 3.46Å; Q1308-L1345 HydrophobicContact CB-CD1 4.23Å; Q1308-L1345 HydrophobicContact CB-CD2 4.25Å; Q1308-L1345 HydrophobicContact CB-CG 4.34Å; Q1343-L1345 PolarHBondContact O-N 2.9Å |
| 1346 | S | 90.7 | Very high | 89.6 | Confident | 52 Ų | 52 | 46.4 Ų | 46.4 | 36% | 0.364 | 23% | 0.227 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -166.3 | 149.9 | 173.5 | 66.3 | 0 | 0 | 0 | 0 | 111.9 | V1305 K1306 | V1305-S1346 CarbonylContact C-O 3.54Å; V1305-S1346 WeakPolarHBondContact CA-O 3.5Å; K1306-S1346 PolarHBondContact N-O 2.94Å; K1306-S1346 PolarHBondContact O-N 3.19Å; K1306-S1346 VanDerWaalsContact O-N 3.13Å |
| 1347 | G | 87.4 | Confident | 90.5 | Very high | 27 Ų | 27 | 48 Ų | 48 | 28% | 0.278 | 24% | 0.236 | S | C | . | . | S | Bend | trans | 123.8 | 179.9 | 173.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | P1304 T1349 | P1304-G1347 VanDerWaalsContact O-CA 3.29Å; P1304-G1347 WeakPolarHBondContact O-CA 3.33Å; G1347-T1349 PolarHBondContact O-N 2.95Å |
| 1348 | P | 86.4 | Confident | 90.8 | Very high | 55 Ų | 55 | 50.4 Ų | 50.4 | 36% | 0.357 | 25% | 0.246 | S | C | . | . | trans | -70.7 | 119.3 | -176.9 | -18.9 | 32.6 | 0 | 0 | 0 | 112.3 | R1350 R1351 F1352 | P1348-R1350 VanDerWaalsContact C-N 3.26Å; P1348-R1350 PolarHBondContact O-N 3.4Å; P1348-R1351 HydrophobicContact CB-CB 4.19Å; P1348-R1351 WeakPolarHBondContact O-CA 3.29Å; P1348-R1351 WeakPolarHBondContact O-CB 3.38Å; P1348-R1351 PolarHBondContact O-N 2.86Å; P1348-F1352 PolarHBondContact O-N 3.48Å | ||
| 1349 | T | 86 | Confident | 90.9 | Very high | 45 Ų | 45 | 49.7 Ų | 49.7 | 28% | 0.276 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -53.2 | -39.6 | -178.2 | -39 | 0 | 0 | 0 | 0 | 113.1 | E1248 L1344 G1347 R1351 F1352 K1353 | E1248-T1349 HydrophobicContact CB-CG2 4.23Å; E1248-T1349 WeakPolarHBondContact O-CG2 3.34Å; L1344-T1349 HydrophobicContact CD2-CG2 4.13Å; G1347-T1349 PolarHBondContact O-N 2.95Å; T1349-R1351 VanDerWaalsContact C-N 3.28Å; T1349-R1351 PolarHBondContact O-N 2.76Å; T1349-F1352 WeakPolarHBondContact O-CB 3.25Å; T1349-F1352 PolarHBondContact O-N 2.92Å; T1349-F1352 VanDerWaalsContact O-N 3.14Å; T1349-K1353 PolarHBondContact O-N 3.44Å |
| 1350 | R | 83.5 | Confident | 91 | Very high | 195 Ų | 195 | 51.7 Ų | 51.7 | 74% | 0.736 | 25% | 0.249 | S | C | * | . | H | α-helix | trans | -66.4 | -24.3 | 176.1 | -164.8 | 179.3 | -173.3 | -163.7 | 4.7 | 113.9 | P1348 R1354 | P1348-R1350 VanDerWaalsContact C-N 3.26Å; P1348-R1350 PolarHBondContact O-N 3.4Å; R1350-R1354 WeakPolarHBondContact O-CG 3.37Å |
| 1351 | R | 87.6 | Confident | 90.7 | Very high | 63 Ų | 63 | 56.2 Ų | 56.2 | 24% | 0.238 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -86 | -30.5 | 172.3 | -170.5 | -174 | -71 | 176 | -3.4 | 111 | Y1291 R1303 V1305 P1348 T1349 L1355 | Y1291-R1351 HydrophobicContact CD1-CG 4.19Å; Y1291-R1351 HydrophobicContact CE1-CG 4.03Å; R1303-R1351 PolarHBondContact O-NH1 3.4Å; V1305-R1351 HydrophobicContact CG2-CB 3.82Å; V1305-R1351 HydrophobicContact CG2-CG 3.86Å; P1348-R1351 HydrophobicContact CB-CB 4.19Å; P1348-R1351 WeakPolarHBondContact O-CA 3.29Å; P1348-R1351 WeakPolarHBondContact O-CB 3.38Å; P1348-R1351 PolarHBondContact O-N 2.86Å; T1349-R1351 VanDerWaalsContact C-N 3.28Å; T1349-R1351 PolarHBondContact O-N 2.76Å; R1351-L1355 WeakPolarHBondContact O-CB 3.43Å; R1351-L1355 PolarHBondContact O-N 3.17Å |
| 1352 | F | 93.7 | Very high | 90.5 | Very high | 0 Ų | 0 | 55.5 Ų | 55.5 | 0% | 0 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -64.8 | -54.6 | 171.7 | 165.6 | -103.5 | 0 | 0 | 0 | 112.2 | H1251 V1305 L1307 F1342 L1344 P1348 T1349 R1354 L1355 C1356 | H1251-F1352 HydrophobicContact CB-CZ 4.39Å; V1305-F1352 HydrophobicContact CG1-CB 3.95Å; V1305-F1352 HydrophobicContact CG1-CD2 4.22Å; L1307-F1352 HydrophobicContact CB-CD2 4.17Å; L1307-F1352 HydrophobicContact CB-CE2 3.95Å; L1307-F1352 HydrophobicContact CD2-CD2 3.92Å; L1307-F1352 HydrophobicContact CD2-CE2 4.07Å; F1342-F1352 HydrophobicContact CB-CE2 4.5Å; F1342-F1352 WeakPolarHBondContact O-CZ 3.44Å; L1344-F1352 HydrophobicContact CB-CD1 3.93Å; L1344-F1352 HydrophobicContact CB-CD2 3.86Å; L1344-F1352 HydrophobicContact CB-CE1 3.92Å; L1344-F1352 HydrophobicContact CB-CE2 3.84Å; L1344-F1352 HydrophobicContact CB-CG 3.9Å; L1344-F1352 HydrophobicContact CB-CZ 3.87Å; L1344-F1352 HydrophobicContact CD1-CB 3.9Å; L1344-F1352 HydrophobicContact CD1-CD2 3.93Å; L1344-F1352 HydrophobicContact CD1-CG 3.93Å; L1344-F1352 HydrophobicContact CD2-CB 4.06Å; L1344-F1352 HydrophobicContact CD2-CD1 4.07Å; L1344-F1352 HydrophobicContact CD2-CG 4.05Å; L1344-F1352 HydrophobicContact CG-CB 4.44Å; L1344-F1352 HydrophobicContact CG-CD1 4.45Å; L1344-F1352 HydrophobicContact CG-CD2 4.37Å; L1344-F1352 HydrophobicContact CG-CG 4.18Å; P1348-F1352 PolarHBondContact O-N 3.48Å; T1349-F1352 WeakPolarHBondContact O-CB 3.25Å; T1349-F1352 PolarHBondContact O-N 2.92Å; T1349-F1352 VanDerWaalsContact O-N 3.14Å; F1352-R1354 PolarHBondContact O-N 3.44Å; F1352-L1355 WeakPolarHBondContact O-CA 2.81Å; F1352-L1355 WeakPolarHBondContact O-CB 3.32Å; F1352-L1355 PolarHBondContact O-N 3.48Å; F1352-C1356 WeakPolarHBondContact CE2-SG 3.28Å; F1352-C1356 VanDerWaalsContact CZ-SG 3.59Å; F1352-C1356 PolarHBondContact O-N 2.88Å; F1352-C1356 PolarHBondContact O-SG 3.03Å; F1352-C1356 VanDerWaalsContact O-SG 3.38Å |
| 1353 | K | 90.1 | Very high | 90.2 | Very high | 82 Ų | 82 | 55.5 Ų | 55.5 | 36% | 0.357 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -55.8 | -50.2 | 179.3 | -69.6 | -162.6 | 171.4 | -168.7 | 0 | 111.8 | E1247 T1349 L1355 C1356 D1357 | E1247-K1353 PolarHBondContact O-NZ 3.21Å; T1349-K1353 PolarHBondContact O-N 3.44Å; K1353-L1355 PolarHBondContact O-N 3.26Å; K1353-L1355 VanDerWaalsContact O-N 3.09Å; K1353-C1356 CarbonylContact O-C 3.59Å; K1353-C1356 WeakPolarHBondContact O-CA 3.47Å; K1353-C1356 WeakPolarHBondContact O-CB 3.22Å; K1353-C1356 PolarHBondContact O-N 2.87Å; K1353-D1357 VanDerWaalsContact C-OD2 3.31Å; K1353-D1357 PolarHBondContact O-N 2.89Å; K1353-D1357 VanDerWaalsContact O-OD2 3.05Å |
| 1354 | R | 89.5 | Confident | 89.9 | Confident | 158 Ų | 158 | 56 Ų | 56 | 60% | 0.596 | 28% | 0.28 | S | S | * | . | H | α-helix | trans | -53.9 | -31.5 | 173.8 | -76.5 | -180 | 170.4 | -174.2 | -4.9 | 115.2 | R1350 F1352 D1357 Q1358 | R1350-R1354 WeakPolarHBondContact O-CG 3.37Å; F1352-R1354 PolarHBondContact O-N 3.44Å; R1354-D1357 WeakPolarHBondContact CA-OD2 3.43Å; R1354-D1357 PolarHBondContact N-OD2 2.93Å; R1354-Q1358 WeakPolarHBondContact O-CG 3.36Å; R1354-Q1358 PolarHBondContact O-N 2.75Å |
| 1355 | L | 91.8 | Very high | 88.9 | Confident | 1 Ų | 1 | 57.3 Ų | 57.3 | 1% | 0.005 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -78.5 | -43.1 | 176 | 175.2 | 66.9 | 0 | 0 | 0 | 110.5 | T1274 V1277 Y1291 V1305 L1307 R1351 F1352 K1353 D1357 Q1358 L1359 | T1274-L1355 HydrophobicContact CG2-CD1 4.17Å; V1277-L1355 HydrophobicContact CG2-CD1 3.84Å; Y1291-L1355 VanDerWaalsContact CB-CD2 3.47Å; Y1291-L1355 HydrophobicContact CD1-CB 4.41Å; Y1291-L1355 HydrophobicContact CD1-CD1 4.15Å; Y1291-L1355 HydrophobicContact CD1-CD2 3.88Å; Y1291-L1355 HydrophobicContact CD1-CG 4.39Å; Y1291-L1355 HydrophobicContact CD2-CD1 4.44Å; Y1291-L1355 HydrophobicContact CG-CD1 4.1Å; Y1291-L1355 HydrophobicContact CG-CD2 3.88Å; V1305-L1355 HydrophobicContact CG1-CD2 4.28Å; L1307-L1355 HydrophobicContact CD2-CD2 3.58Å; L1307-L1355 HydrophobicContact CD2-CG 4.42Å; R1351-L1355 WeakPolarHBondContact O-CB 3.43Å; R1351-L1355 PolarHBondContact O-N 3.17Å; F1352-L1355 WeakPolarHBondContact O-CA 2.81Å; F1352-L1355 WeakPolarHBondContact O-CB 3.32Å; F1352-L1355 PolarHBondContact O-N 3.48Å; K1353-L1355 PolarHBondContact O-N 3.26Å; K1353-L1355 VanDerWaalsContact O-N 3.09Å; L1355-D1357 VanDerWaalsContact C-N 3.3Å; L1355-D1357 PolarHBondContact O-N 3.31Å; L1355-Q1358 PolarHBondContact O-N 3.44Å; L1355-L1359 HydrophobicContact CD1-CD1 4.11Å; L1355-L1359 HydrophobicContact CD1-CG 4.2Å; L1355-L1359 HydrophobicContact CD2-CD1 4.49Å; L1355-L1359 HydrophobicContact CG-CD1 3.82Å; L1355-L1359 HydrophobicContact CG-CG 4.33Å; L1355-L1359 WeakPolarHBondContact O-CB 3.15Å; L1355-L1359 VanDerWaalsContact O-CG 3.23Å; L1355-L1359 WeakPolarHBondContact O-CG 3.45Å; L1355-L1359 PolarHBondContact O-N 3.14Å |
| 1356 | C | 93.5 | Very high | 87.4 | Confident | 0 Ų | 0 | 55.3 Ų | 55.3 | 0% | 0 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -60.7 | -38.3 | 173.6 | -61.9 | 0 | 0 | 0 | 0 | 112 | H1251 F1352 K1353 Q1358 L1359 Q1360 | H1251-C1356 HydrophobicContact CB-CB 4.05Å; F1352-C1356 WeakPolarHBondContact CE2-SG 3.28Å; F1352-C1356 VanDerWaalsContact CZ-SG 3.59Å; F1352-C1356 PolarHBondContact O-N 2.88Å; F1352-C1356 PolarHBondContact O-SG 3.03Å; F1352-C1356 VanDerWaalsContact O-SG 3.38Å; K1353-C1356 CarbonylContact O-C 3.59Å; K1353-C1356 WeakPolarHBondContact O-CA 3.47Å; K1353-C1356 WeakPolarHBondContact O-CB 3.22Å; K1353-C1356 PolarHBondContact O-N 2.87Å; C1356-Q1358 VanDerWaalsContact C-N 3.35Å; C1356-Q1358 PolarHBondContact O-N 2.94Å; C1356-L1359 PolarHBondContact O-N 3.27Å; C1356-Q1360 WeakPolarHBondContact O-CB 3.41Å; C1356-Q1360 PolarHBondContact O-N 3.2Å |
| 1357 | D | 91.3 | Very high | 85.3 | Confident | 75 Ų | 75 | 57.3 Ų | 57.3 | 40% | 0.401 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -60 | -43.5 | 174.3 | -56.1 | -36.4 | 0 | 0 | 0 | 111.4 | H1251 K1353 R1354 L1355 T1361 | H1251-D1357 IonicContact CE1-OD1 3.28Å; K1353-D1357 VanDerWaalsContact C-OD2 3.31Å; K1353-D1357 PolarHBondContact O-N 2.89Å; K1353-D1357 VanDerWaalsContact O-OD2 3.05Å; R1354-D1357 WeakPolarHBondContact CA-OD2 3.43Å; R1354-D1357 PolarHBondContact N-OD2 2.93Å; L1355-D1357 VanDerWaalsContact C-N 3.3Å; L1355-D1357 PolarHBondContact O-N 3.31Å; D1357-T1361 WeakPolarHBondContact O-CB 3.5Å; D1357-T1361 PolarHBondContact O-N 3.08Å; D1357-T1361 PolarHBondContact O-OG1 3.36Å |
| 1358 | Q | 88.9 | Confident | 82.8 | Confident | 82 Ų | 82 | 59.1 Ų | 59.1 | 38% | 0.383 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -67.1 | -47.4 | 176.7 | -73.1 | 174.3 | -15.7 | 0 | 0 | 112 | R1354 L1355 C1356 T1361 A1362 | R1354-Q1358 WeakPolarHBondContact O-CG 3.36Å; R1354-Q1358 PolarHBondContact O-N 2.75Å; L1355-Q1358 PolarHBondContact O-N 3.44Å; C1356-Q1358 VanDerWaalsContact C-N 3.35Å; C1356-Q1358 PolarHBondContact O-N 2.94Å; Q1358-T1361 PolarHBondContact O-N 2.99Å; Q1358-A1362 WeakPolarHBondContact O-CB 3.38Å; Q1358-A1362 PolarHBondContact O-N 3.34Å |
| 1359 | L | 92.5 | Very high | 80.1 | Confident | 1 Ų | 1 | 64 Ų | 64 | 1% | 0.005 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -63.9 | -40.7 | 178.3 | -65 | 169.6 | 0 | 0 | 0 | 111.3 | V1270 F1271 F1342 L1355 C1356 L1363 | V1270-L1359 HydrophobicContact CG1-CB 4.34Å; V1270-L1359 HydrophobicContact CG1-CD2 3.57Å; F1271-L1359 HydrophobicContact CD1-CD2 3.89Å; F1271-L1359 HydrophobicContact CE1-CD1 4.29Å; F1271-L1359 HydrophobicContact CE1-CD2 4.19Å; F1342-L1359 HydrophobicContact CD1-CD1 4.05Å; F1342-L1359 HydrophobicContact CE1-CB 3.87Å; F1342-L1359 HydrophobicContact CE1-CD1 3.79Å; F1342-L1359 HydrophobicContact CE1-CG 4.44Å; F1342-L1359 HydrophobicContact CZ-CB 4.16Å; L1355-L1359 HydrophobicContact CD1-CD1 4.11Å; L1355-L1359 HydrophobicContact CD1-CG 4.2Å; L1355-L1359 HydrophobicContact CD2-CD1 4.49Å; L1355-L1359 HydrophobicContact CG-CD1 3.82Å; L1355-L1359 HydrophobicContact CG-CG 4.33Å; L1355-L1359 WeakPolarHBondContact O-CB 3.15Å; L1355-L1359 VanDerWaalsContact O-CG 3.23Å; L1355-L1359 WeakPolarHBondContact O-CG 3.45Å; L1355-L1359 PolarHBondContact O-N 3.14Å; C1356-L1359 PolarHBondContact O-N 3.27Å; L1359-L1363 WeakPolarHBondContact O-CB 3.49Å; L1359-L1363 PolarHBondContact O-N 2.97Å |
| 1360 | Q | 92.4 | Very high | 77.6 | Confident | 60 Ų | 60 | 65.3 Ų | 65.3 | 28% | 0.28 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -61.5 | -47.7 | 173.3 | 173.6 | 174.3 | -21.7 | 0 | 0 | 111.5 | H1251 V1253 C1356 A1362 L1363 L1364 | H1251-Q1360 PolarHBondContact NE2-OE1 3.35Å; V1253-Q1360 HydrophobicContact CG1-CG 4.01Å; V1253-Q1360 HydrophobicContact CG2-CB 3.73Å; V1253-Q1360 HydrophobicContact CG2-CG 3.68Å; C1356-Q1360 WeakPolarHBondContact O-CB 3.41Å; C1356-Q1360 PolarHBondContact O-N 3.2Å; Q1360-A1362 VanDerWaalsContact C-N 3.35Å; Q1360-A1362 PolarHBondContact O-N 3.11Å; Q1360-L1363 PolarHBondContact O-N 3.18Å; Q1360-L1364 HydrophobicContact CG-CD1 3.65Å; Q1360-L1364 HydrophobicContact CG-CG 4.2Å; Q1360-L1364 WeakPolarHBondContact O-CB 3.26Å; Q1360-L1364 WeakPolarHBondContact O-CG 3.28Å; Q1360-L1364 PolarHBondContact O-N 2.94Å |
| 1361 | T | 88.9 | Confident | 75.1 | Confident | 96 Ų | 96 | 63 Ų | 63 | 59% | 0.589 | 34% | 0.338 | S | S | * | . | H | α-helix | trans | -61.1 | -45.7 | -179.2 | -57.7 | 0 | 0 | 0 | 0 | 110.7 | D1357 Q1358 S1365 | D1357-T1361 WeakPolarHBondContact O-CB 3.5Å; D1357-T1361 PolarHBondContact O-N 3.08Å; D1357-T1361 PolarHBondContact O-OG1 3.36Å; Q1358-T1361 PolarHBondContact O-N 2.99Å; T1361-S1365 WeakPolarHBondContact O-CB 3.19Å; T1361-S1365 PolarHBondContact O-N 2.87Å; T1361-S1365 VanDerWaalsContact O-N 3.1Å; T1361-S1365 PolarHBondContact O-OG 2.97Å |
| 1362 | A | 87.9 | Confident | 72.3 | Confident | 17 Ų | 17 | 65 Ų | 65 | 14% | 0.14 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -69.4 | -30.8 | 177.7 | 0 | 0 | 0 | 0 | 0 | 113.2 | V1270 Q1358 Q1360 S1365 | V1270-A1362 HydrophobicContact CB-CB 4.38Å; V1270-A1362 HydrophobicContact CG1-CB 3.82Å; V1270-A1362 HydrophobicContact CG2-CB 3.74Å; Q1358-A1362 WeakPolarHBondContact O-CB 3.38Å; Q1358-A1362 PolarHBondContact O-N 3.34Å; Q1360-A1362 VanDerWaalsContact C-N 3.35Å; Q1360-A1362 PolarHBondContact O-N 3.11Å; A1362-S1365 WeakPolarHBondContact CA-OG 3.39Å; A1362-S1365 PolarHBondContact O-OG 3.48Å |
| 1363 | L | 90.3 | Very high | 69.2 | Low | 1 Ų | 1 | 69.8 Ų | 69.8 | 1% | 0.005 | 38% | 0.377 | C | S | . | . | H | α-helix | trans | -74.6 | -44.1 | 176.2 | -172.1 | 66.7 | 0 | 0 | 0 | 112 | V1253 V1255 R1258 L1263 E1266 L1267 V1340 L1359 Q1360 | V1253-L1363 HydrophobicContact CG1-CD2 4.4Å; V1255-L1363 HydrophobicContact CG2-CD2 4.03Å; V1255-L1363 HydrophobicContact CG2-CG 4.38Å; R1258-L1363 PolarHBondContact NH1-O 2.83Å; R1258-L1363 PolarHBondContact NH2-O 2.8Å; R1258-L1363 VanDerWaalsContact NH2-O 3.1Å; L1263-L1363 HydrophobicContact CD1-CD1 4.01Å; L1263-L1363 HydrophobicContact CD1-CD2 4.4Å; L1263-L1363 HydrophobicContact CD1-CG 4.49Å; E1266-L1363 HydrophobicContact CB-CD1 4.25Å; L1267-L1363 HydrophobicContact CB-CD1 4.42Å; L1267-L1363 HydrophobicContact CD1-CD1 4.04Å; L1267-L1363 HydrophobicContact CD1-CD2 3.96Å; V1340-L1363 HydrophobicContact CB-CD2 4.43Å; V1340-L1363 HydrophobicContact CG1-CD2 4.38Å; V1340-L1363 HydrophobicContact CG2-CD2 4.2Å; L1359-L1363 WeakPolarHBondContact O-CB 3.49Å; L1359-L1363 PolarHBondContact O-N 2.97Å; Q1360-L1363 PolarHBondContact O-N 3.18Å |
| 1364 | L | 87.2 | Confident | 66.2 | Low | 78 Ų | 78 | 69.8 Ų | 69.8 | 41% | 0.408 | 39% | 0.393 | S | S | . | . | H | α-helix | trans | -71.1 | -34.3 | -179.1 | -67.7 | 177.2 | 0 | 0 | 0 | 112.4 | V1253 V1255 R1258 Q1360 G1366 | V1253-L1364 HydrophobicContact CG1-CD1 4.31Å; V1253-L1364 HydrophobicContact CG1-CD2 3.88Å; V1253-L1364 HydrophobicContact CG1-CG 4.07Å; V1255-L1364 HydrophobicContact CG2-CD2 4.46Å; R1258-L1364 PolarHBondContact NH2-O 3.32Å; R1258-L1364 VanDerWaalsContact NH2-O 3.12Å; Q1360-L1364 HydrophobicContact CG-CD1 3.65Å; Q1360-L1364 HydrophobicContact CG-CG 4.2Å; Q1360-L1364 WeakPolarHBondContact O-CB 3.26Å; Q1360-L1364 WeakPolarHBondContact O-CG 3.28Å; Q1360-L1364 PolarHBondContact O-N 2.94Å; L1364-G1366 PolarHBondContact O-N 2.97Å |
| 1365 | S | 76.2 | Confident | 63.2 | Low | 52 Ų | 52 | 70.1 Ų | 70.1 | 36% | 0.364 | 40% | 0.401 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -69.4 | -10.4 | -179.9 | 49.1 | 0 | 0 | 0 | 0 | 115.9 | T1361 A1362 A1368 | T1361-S1365 WeakPolarHBondContact O-CB 3.19Å; T1361-S1365 PolarHBondContact O-N 2.87Å; T1361-S1365 VanDerWaalsContact O-N 3.1Å; T1361-S1365 PolarHBondContact O-OG 2.97Å; A1362-S1365 WeakPolarHBondContact CA-OG 3.39Å; A1362-S1365 PolarHBondContact O-OG 3.48Å; S1365-A1368 PolarHBondContact O-N 3.1Å |
| 1366 | G | 59.7 | Low | 60.2 | Low | 22 Ų | 22 | 74.1 Ų | 74.1 | 23% | 0.227 | 43% | 0.428 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 50.6 | 71.4 | 155.1 | 0 | 0 | 0 | 0 | 0 | 116.2 | L1364 A1368 | L1364-G1366 PolarHBondContact O-N 2.97Å; G1366-A1368 PolarHBondContact O-N 2.87Å; G1366-A1368 VanDerWaalsContact O-N 3.08Å |
| 1367 | T | 47.7 | Very low | 57.1 | Low | 93 Ų | 93 | 80 Ų | 80 | 57% | 0.571 | 47% | 0.465 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 63.1 | 3.7 | 174.3 | 47.9 | 0 | 0 | 0 | 0 | 117.5 | ||
| 1368 | A | 33.2 | Very low | 54.1 | Low | 65 Ų | 65 | 83.8 Ų | 83.8 | 54% | 0.537 | 48% | 0.484 | S | S | . | . | S | Bend | trans | -80 | 133.4 | 159.4 | 0 | 0 | 0 | 0 | 0 | 110.1 | S1365 G1366 P1370 | S1365-A1368 PolarHBondContact O-N 3.1Å; G1366-A1368 PolarHBondContact O-N 2.87Å; G1366-A1368 VanDerWaalsContact O-N 3.08Å; A1368-P1370 WeakPolarHBondContact O-CD 3.35Å |
| 1369 | H | 30.3 | Very low | 51.2 | Low | 158 Ų | 158 | 87.2 Ų | 87.2 | 73% | 0.731 | 51% | 0.505 | S | S | * | . | trans | -57.8 | 114.5 | -168.9 | -73.7 | -93.8 | 0 | 0 | 0 | 114.5 | N1371 | H1369-N1371 PolarHBondContact O-N 3.03Š| ||
| 1370 | P | 34.1 | Very low | 48.3 | Very low | 72 Ų | 72 | 92.2 Ų | 92.2 | 47% | 0.468 | 54% | 0.54 | S | S | . | . | trans | -83.2 | 101.2 | 168.6 | 32.7 | -29.7 | 0 | 0 | 0 | 110 | A1368 F1372 | A1368-P1370 WeakPolarHBondContact O-CD 3.35Å; P1370-F1372 HydrophobicContact CB-CD2 4.14Å; P1370-F1372 HydrophobicContact CB-CE2 4.09Å; P1370-F1372 HydrophobicContact CG-CD2 4.33Å; P1370-F1372 HydrophobicContact CG-CE2 4.24Å; P1370-F1372 PolarHBondContact O-N 3.03Å | ||
| 1371 | N | 29.6 | Very low | 45.2 | Very low | 147 Ų | 147 | 97 Ų | 97 | 79% | 0.786 | 57% | 0.568 | S | S | * | * | trans | -67.5 | 91 | 170.8 | -84.2 | -25 | 0 | 0 | 0 | 110.4 | H1369 V1373 | H1369-N1371 PolarHBondContact O-N 3.03Å; N1371-V1373 VanDerWaalsContact C-N 3.3Å; N1371-V1373 PolarHBondContact O-N 2.71Å | ||
| 1372 | F | 30.2 | Very low | 42.5 | Very low | 105 Ų | 105 | 98.6 Ų | 98.6 | 46% | 0.461 | 58% | 0.577 | S | S | . | * | trans | -70.4 | 81.2 | 176.5 | -93.9 | -86.9 | 0 | 0 | 0 | 111.8 | P1370 A1374 | P1370-F1372 HydrophobicContact CB-CD2 4.14Å; P1370-F1372 HydrophobicContact CB-CE2 4.09Å; P1370-F1372 HydrophobicContact CG-CD2 4.33Å; P1370-F1372 HydrophobicContact CG-CE2 4.24Å; P1370-F1372 PolarHBondContact O-N 3.03Å; F1372-A1374 PolarHBondContact O-N 2.88Å | ||
| 1373 | V | 28 | Very low | 39.7 | Very low | 101 Ų | 101 | 105.2 Ų | 105.2 | 61% | 0.612 | 61% | 0.61 | S | S | * | * | trans | -66.8 | 125.3 | 168.2 | 179.7 | 0 | 0 | 0 | 0 | 109.3 | N1371 H1375 | N1371-V1373 VanDerWaalsContact C-N 3.3Å; N1371-V1373 PolarHBondContact O-N 2.71Å; V1373-H1375 PolarHBondContact O-N 2.64Å | ||
| 1374 | A | 26.3 | Very low | 36.8 | Very low | 82 Ų | 82 | 111.5 Ų | 111.5 | 68% | 0.678 | 65% | 0.648 | S | S | * | * | trans | -74.9 | 86.6 | -179.7 | 0 | 0 | 0 | 0 | 0 | 111.4 | F1372 S1376 | F1372-A1374 PolarHBondContact O-N 2.88Å; A1374-S1376 PolarHBondContact O-N 2.77Å | ||
| 1375 | H | 27.7 | Very low | 34 | Very low | 165 Ų | 165 | 111.6 Ų | 111.6 | 76% | 0.764 | 67% | 0.667 | S | S | * | * | trans | -68.7 | 76.3 | 172.8 | -77.9 | -70.7 | 0 | 0 | 0 | 112.2 | V1373 | V1373-H1375 PolarHBondContact O-N 2.64Š| ||
| 1376 | S | 28.6 | Very low | 31.8 | Very low | 84 Ų | 84 | 112.7 Ų | 112.7 | 59% | 0.587 | 69% | 0.687 | S | S | * | * | trans | -146.1 | 31.6 | 174.5 | 58 | 0 | 0 | 0 | 0 | 113.8 | A1374 | A1374-S1376 PolarHBondContact O-N 2.77Š| ||
| 1377 | T | 28.8 | Very low | 30.5 | Very low | 125 Ų | 125 | 118.2 Ų | 118.2 | 77% | 0.767 | 72% | 0.717 | S | S | * | * | trans | -163.8 | 113.5 | 155.9 | -1.7 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 1378 | L | 28 | Very low | 29.8 | Very low | 154 Ų | 154 | 120 Ų | 120 | 81% | 0.806 | 73% | 0.73 | S | S | * | * | trans | -121 | 75.7 | 162.2 | -96.5 | 167.9 | 0 | 0 | 0 | 107 | ||||
| 1379 | N | 27.7 | Very low | 29.6 | Very low | 153 Ų | 153 | 121.4 Ų | 121.4 | 82% | 0.818 | 74% | 0.736 | S | S | * | * | trans | -112.8 | 101.9 | 166.8 | -101.1 | 22.1 | 0 | 0 | 0 | 106.4 | ||||
| 1380 | S | 31.1 | Very low | 29.6 | Very low | 107 Ų | 107 | 121 Ų | 121 | 75% | 0.748 | 74% | 0.737 | S | S | * | * | trans | -137 | 70.8 | -179.9 | -58 | 0 | 0 | 0 | 0 | 109.6 | T1382 | S1380-T1382 PolarHBondContact O-N 3.42Š| ||
| 1381 | N | 28.8 | Very low | 29.4 | Very low | 161 Ų | 161 | 123.4 Ų | 123.4 | 86% | 0.861 | 75% | 0.751 | S | S | * | * | trans | -71 | 105.5 | 162.4 | -78.2 | -4.3 | 0 | 0 | 0 | 108.3 | ||||
| 1382 | T | 31.2 | Very low | 29.4 | Very low | 128 Ų | 128 | 121.5 Ų | 121.5 | 79% | 0.785 | 75% | 0.749 | S | S | * | * | trans | -173.2 | 124.1 | 136.2 | 30.1 | 0 | 0 | 0 | 0 | 112.4 | S1380 | S1380-T1382 PolarHBondContact O-N 3.42Š| ||
| 1383 | L | 29.3 | Very low | 29.4 | Very low | 156 Ų | 156 | 122.6 Ų | 122.6 | 82% | 0.817 | 76% | 0.764 | S | S | * | * | trans | 72.1 | 127.7 | 144.2 | -94.3 | 66.4 | 0 | 0 | 0 | 123 | ||||
| 1384 | V | 30.2 | Very low | 29.7 | Very low | 134 Ų | 134 | 123.1 Ų | 123.1 | 81% | 0.812 | 77% | 0.77 | S | S | * | * | trans | 68.6 | 107.9 | 147.6 | -171.7 | 0 | 0 | 0 | 0 | 120 | ||||
| 1385 | G | 28.4 | Very low | 30.2 | Very low | 79 Ų | 79 | 124.2 Ų | 124.2 | 81% | 0.814 | 77% | 0.77 | S | S | * | * | 69.4 | 127 | 128.7 | 0 | 0 | 0 | 0 | 0 | 119.6 | |||||
| 1386 | G | 30 | Very low | 30.3 | Very low | 76 Ų | 76 | 122.2 Ų | 122.2 | 78% | 0.784 | 77% | 0.769 | S | S | * | * | cis | -177.9 | 158 | -2.9 | 0 | 0 | 0 | 0 | 0 | 111 | ||||
| 1387 | T | 30.9 | Very low | 30.6 | Very low | 137 Ų | 137 | 123.8 Ų | 123.8 | 84% | 0.84 | 78% | 0.776 | S | S | * | * | trans | -76.3 | 153.3 | 173.4 | 49.9 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 1388 | P | 32.9 | Very low | 30.6 | Very low | 131 Ų | 131 | 124.8 Ų | 124.8 | 85% | 0.851 | 78% | 0.776 | S | S | * | * | -135.5 | 172.1 | 94.2 | 38.6 | -28.2 | 0 | 0 | 0 | 114.4 | |||||
| 1389 | S | 30.1 | Very low | 30.8 | Very low | 95 Ų | 95 | 124 Ų | 124 | 66% | 0.664 | 78% | 0.778 | S | S | * | * | trans | -121.1 | 162.9 | -168.4 | 55.2 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 1390 | I | 30.1 | Very low | 31 | Very low | 148 Ų | 148 | 119.4 Ų | 119.4 | 76% | 0.759 | 77% | 0.766 | S | S | * | * | trans | 75.5 | 105.1 | 150 | -71.5 | 161.4 | 0 | 0 | 0 | 117.1 | ||||
| 1391 | T | 30.5 | Very low | 31 | Very low | 124 Ų | 124 | 120.9 Ų | 120.9 | 76% | 0.761 | 77% | 0.771 | S | S | * | * | 54.8 | 115 | 125.4 | -44.3 | 0 | 0 | 0 | 0 | 120 | |||||
| 1392 | S | 27.9 | Very low | 31.1 | Very low | 106 Ų | 106 | 117.5 Ų | 117.5 | 74% | 0.741 | 76% | 0.76 | S | S | * | * | 177.2 | 171 | 105.2 | 56.3 | 0 | 0 | 0 | 0 | 113.4 | |||||
| 1393 | V | 30.6 | Very low | 31.1 | Very low | 129 Ų | 129 | 118.9 Ų | 118.9 | 78% | 0.782 | 76% | 0.761 | S | S | * | * | trans | 7.7 | 134.6 | 170.7 | -142.1 | 0 | 0 | 0 | 0 | 120.6 | ||||
| 1394 | P | 33.7 | Very low | 31.3 | Very low | 112 Ų | 112 | 118.4 Ų | 118.4 | 73% | 0.727 | 76% | 0.758 | S | S | * | * | trans | -79 | 166.1 | 163.8 | 35.5 | -37.2 | 0 | 0 | 0 | 112.6 | ||||
| 1395 | P | 37.4 | Very low | 31.4 | Very low | 105 Ų | 105 | 118.9 Ų | 118.9 | 68% | 0.682 | 76% | 0.756 | S | S | * | * | cis | -130.3 | -171.2 | -10.8 | 38.4 | -20.5 | 0 | 0 | 0 | 113.9 | ||||
| 1396 | T | 31 | Very low | 31.8 | Very low | 122 Ų | 122 | 119.4 Ų | 119.4 | 75% | 0.748 | 75% | 0.745 | S | S | * | * | trans | 71.9 | 146.6 | 153.1 | 43.3 | 0 | 0 | 0 | 0 | 122.2 | ||||
| 1397 | T | 34.3 | Very low | 31.9 | Very low | 118 Ų | 118 | 123.4 Ų | 123.4 | 72% | 0.724 | 75% | 0.748 | S | S | * | * | trans | 69.4 | 107.7 | 152.3 | 41.5 | 0 | 0 | 0 | 0 | 122 | ||||
| 1398 | N | 29 | Very low | 32.1 | Very low | 145 Ų | 145 | 122.4 Ų | 122.4 | 78% | 0.775 | 74% | 0.742 | S | S | * | * | 62.5 | 128.1 | 124.9 | -73.6 | 2.6 | 0 | 0 | 0 | 122.7 | |||||
| 1399 | V | 32.1 | Very low | 32.2 | Very low | 139 Ų | 139 | 122.1 Ų | 122.1 | 84% | 0.842 | 74% | 0.74 | S | S | * | * | trans | 62 | 126.1 | 146.6 | -177.4 | 0 | 0 | 0 | 0 | 116.3 | ||||
| 1400 | G | 31.1 | Very low | 32.1 | Very low | 55 Ų | 55 | 124 Ų | 124 | 57% | 0.567 | 74% | 0.743 | S | S | * | * | cis | 138 | 160.1 | 5 | 0 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 1401 | T | 31.6 | Very low | 32 | Very low | 138 Ų | 138 | 121.6 Ų | 121.6 | 85% | 0.847 | 74% | 0.738 | S | S | * | * | trans | 64.4 | 153.2 | 175.1 | 62.5 | 0 | 0 | 0 | 0 | 116.1 | ||||
| 1402 | S | 31 | Very low | 32 | Very low | 90 Ų | 90 | 120.6 Ų | 120.6 | 63% | 0.629 | 73% | 0.733 | S | S | * | * | cis | -175.5 | 173.3 | -15.9 | -96.1 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 1403 | I | 31.5 | Very low | 31.9 | Very low | 157 Ų | 157 | 125 Ų | 125 | 81% | 0.805 | 74% | 0.738 | S | S | * | * | trans | 69.7 | 131.7 | 142 | -79.5 | 161.6 | 0 | 0 | 0 | 116.2 | ||||
| 1404 | L | 32.8 | Very low | 31.9 | Very low | 146 Ų | 146 | 122.7 Ų | 122.7 | 76% | 0.764 | 73% | 0.733 | S | S | * | * | cis | -125.9 | 169.7 | 9.2 | -62.9 | 158.9 | 0 | 0 | 0 | 110.6 | ||||
| 1405 | N | 31.3 | Very low | 31.6 | Very low | 145 Ų | 145 | 123.1 Ų | 123.1 | 78% | 0.775 | 73% | 0.734 | S | S | * | * | cis | 74.2 | 161.6 | 24.5 | -111.6 | 18.2 | 0 | 0 | 0 | 115.7 | ||||
| 1406 | P | 38.4 | Very low | 31.1 | Very low | 89 Ų | 89 | 122.3 Ų | 122.3 | 58% | 0.578 | 73% | 0.731 | S | S | * | * | cis | -134.1 | -163.7 | -48 | 27.4 | -4.5 | 0 | 0 | 0 | 112.9 | ||||
| 1407 | L | 31.8 | Very low | 30.9 | Very low | 160 Ų | 160 | 124 Ų | 124 | 84% | 0.838 | 73% | 0.73 | S | S | * | * | trans | 118.1 | 136.4 | 145 | -67.6 | 158.6 | 0 | 0 | 0 | 120.1 | ||||
| 1408 | T | 33.9 | Very low | 30.6 | Very low | 117 Ų | 117 | 123.4 Ų | 123.4 | 72% | 0.718 | 73% | 0.726 | S | S | * | * | trans | -87.7 | 160.2 | 172.4 | 54.3 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 1409 | P | 36 | Very low | 30.5 | Very low | 124 Ų | 124 | 123 Ų | 123 | 81% | 0.805 | 72% | 0.723 | S | S | * | * | -124.2 | 149.8 | 91.9 | 1.7 | 19.7 | 0 | 0 | 0 | 111.7 | |||||
| 1410 | N | 28.7 | Very low | 30.4 | Very low | 136 Ų | 136 | 123.2 Ų | 123.2 | 73% | 0.727 | 72% | 0.719 | S | S | * | * | cis | 81.6 | 116.1 | 38.6 | -170.5 | 22.3 | 0 | 0 | 0 | 114.6 | ||||
| 1411 | S | 28 | Very low | 30.3 | Very low | 96 Ų | 96 | 124 Ų | 124 | 67% | 0.671 | 73% | 0.727 | S | S | * | * | trans | 65.1 | 158.7 | 163.6 | -97.8 | 0 | 0 | 0 | 0 | 117.5 | ||||
| 1412 | T | 28.8 | Very low | 30.4 | Very low | 104 Ų | 104 | 126.1 Ų | 126.1 | 64% | 0.638 | 73% | 0.727 | S | S | * | * | cis | -149.8 | 169.5 | 16.4 | -5.5 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 1413 | K | 27.4 | Very low | 30.4 | Very low | 197 Ų | 197 | 128.9 Ų | 128.9 | 86% | 0.857 | 74% | 0.741 | S | S | * | * | trans | 40.4 | 141.9 | 142 | -67.3 | 168.1 | -177.1 | 178.9 | 0 | 119.7 | ||||
| 1414 | A | 29.1 | Very low | 30.5 | Very low | 82 Ų | 82 | 126.2 Ų | 126.2 | 68% | 0.678 | 73% | 0.734 | S | S | * | * | cis | -172.9 | -168.5 | -8 | 0 | 0 | 0 | 0 | 0 | 104.6 | ||||
| 1415 | T | 28.5 | Very low | 30.3 | Very low | 120 Ų | 120 | 127 Ų | 127 | 74% | 0.736 | 73% | 0.734 | S | S | * | * | cis | -151.3 | 133.6 | 7.3 | -14.9 | 0 | 0 | 0 | 0 | 104.9 | ||||
| 1416 | S | 26.9 | Very low | 30.2 | Very low | 89 Ų | 89 | 126.6 Ų | 126.6 | 62% | 0.622 | 73% | 0.727 | S | S | * | * | 56.8 | 139.4 | 111.5 | 77.3 | 0 | 0 | 0 | 0 | 117.7 | |||||
| 1417 | H | 26.4 | Very low | 29.7 | Very low | 156 Ų | 156 | 128.5 Ų | 128.5 | 72% | 0.722 | 73% | 0.732 | S | S | * | * | cis | -151.9 | 149.5 | -5.1 | -118.9 | -156.2 | 0 | 0 | 0 | 105.4 | ||||
| 1418 | V | 27.2 | Very low | 29.6 | Very low | 107 Ų | 107 | 128.2 Ų | 128.2 | 65% | 0.648 | 73% | 0.732 | S | S | * | * | 60.3 | 158 | 81.1 | -171.9 | 0 | 0 | 0 | 0 | 112.1 | |||||
| 1419 | L | 28.7 | Very low | 29.5 | Very low | 137 Ų | 137 | 127.6 Ų | 127.6 | 72% | 0.717 | 73% | 0.732 | S | S | * | * | trans | 84.6 | 123.1 | 178.5 | -42.2 | 172.4 | 0 | 0 | 0 | 113.8 | ||||
| 1420 | D | 28.7 | Very low | 29.2 | Very low | 142 Ų | 142 | 128.9 Ų | 128.9 | 76% | 0.759 | 73% | 0.732 | S | S | * | * | cis | -160.5 | 165.1 | -8.5 | -105.9 | -29.5 | 0 | 0 | 0 | 111.7 | ||||
| 1421 | G | 29.6 | Very low | 29.1 | Very low | 71 Ų | 71 | 126.9 Ų | 126.9 | 73% | 0.732 | 73% | 0.729 | S | S | * | * | trans | 60 | 124.6 | 145.6 | 0 | 0 | 0 | 0 | 0 | 119.9 | ||||
| 1422 | E | 32.6 | Very low | 29 | Very low | 183 Ų | 183 | 129.1 Ų | 129.1 | 86% | 0.855 | 73% | 0.728 | S | S | * | * | cis | -142.9 | 154.6 | 2 | -64.7 | -179.8 | 98.5 | 0 | 0 | 109.6 | ||||
| 1423 | T | 32.4 | Very low | 28.8 | Very low | 148 Ų | 148 | 132.1 Ų | 132.1 | 91% | 0.908 | 73% | 0.733 | S | S | * | * | trans | -144.2 | 91.9 | 170.1 | -51.5 | 0 | 0 | 0 | 0 | 111 | ||||
| 1424 | P | 32.9 | Very low | 28.6 | Very low | 101 Ų | 101 | 128.2 Ų | 128.2 | 66% | 0.656 | 72% | 0.721 | S | S | * | * | trans | -99.7 | 134.6 | 168.3 | 34.6 | -27.7 | 0 | 0 | 0 | 112.2 | ||||
| 1425 | E | 28.5 | Very low | 28.4 | Very low | 164 Ų | 164 | 131.4 Ų | 131.4 | 77% | 0.766 | 72% | 0.722 | S | S | * | * | trans | 19.9 | 142.3 | 130.7 | -56.5 | -159.5 | 100.7 | 0 | 0 | 119.8 | ||||
| 1426 | Q | 30.2 | Very low | 28.2 | Very low | 135 Ų | 135 | 129.7 Ų | 129.7 | 63% | 0.631 | 72% | 0.715 | S | S | * | * | cis | -164.6 | 163.7 | 17.3 | -132.7 | 169.4 | 46 | 0 | 0 | 111.4 | ||||
| 1427 | N | 27.7 | Very low | 28.3 | Very low | 129 Ų | 129 | 133.3 Ų | 133.3 | 69% | 0.69 | 72% | 0.722 | S | S | * | * | trans | 68.1 | 127.3 | 166.3 | -53.9 | -40.1 | 0 | 0 | 0 | 117.2 | ||||
| 1428 | N | 28.4 | Very low | 28.3 | Very low | 155 Ų | 155 | 131.1 Ų | 131.1 | 83% | 0.829 | 72% | 0.719 | S | S | * | * | S | Bend | cis | -153.6 | 88.8 | -1 | -136.9 | -3.6 | 0 | 0 | 0 | 112.3 | ||
| 1429 | S | 33.6 | Very low | 28.3 | Very low | 104 Ų | 104 | 133 Ų | 133 | 73% | 0.727 | 72% | 0.72 | S | S | * | * | trans | -162.8 | 124.3 | 168.7 | 54.3 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 1430 | D | 27.9 | Very low | 28.2 | Very low | 150 Ų | 150 | 134.1 Ų | 134.1 | 80% | 0.802 | 72% | 0.722 | S | S | * | * | 178.3 | 152.7 | 112.1 | -116.1 | -43.2 | 0 | 0 | 0 | 115 | |||||
| 1431 | S | 26.7 | Very low | 28 | Very low | 94 Ų | 94 | 132.1 Ų | 132.1 | 66% | 0.657 | 72% | 0.72 | S | S | * | * | trans | 65.7 | 162.8 | 149.5 | 82.8 | 0 | 0 | 0 | 0 | 121.1 | ||||
| 1432 | H | 26.2 | Very low | 27.9 | Very low | 144 Ų | 144 | 135.6 Ų | 135.6 | 67% | 0.667 | 72% | 0.72 | S | S | * | * | trans | 11.4 | 113.7 | 163.8 | -64.9 | -78.3 | 0 | 0 | 0 | 119.6 | N1434 | H1432-N1434 PolarHBondContact ND1-ND2 2.82Š| ||
| 1433 | F | 25.4 | Very low | 27.6 | Very low | 166 Ų | 166 | 135 Ų | 135 | 73% | 0.728 | 72% | 0.717 | S | S | * | * | -133.9 | 132.2 | 82 | -120.7 | -123.9 | 0 | 0 | 0 | 108 | Q1435 | F1433-Q1435 HydrophobicContact CD1-CG 4.25Å; F1433-Q1435 HydrophobicContact CE1-CG 4.13Å | |||
| 1434 | N | 21.9 | Very low | 27.2 | Very low | 115 Ų | 115 | 132.5 Ų | 132.5 | 62% | 0.615 | 71% | 0.706 | S | S | * | * | 57.6 | 145.8 | 55.4 | -92.4 | -15.9 | 0 | 0 | 0 | 114.5 | H1432 | H1432-N1434 PolarHBondContact ND1-ND2 2.82Š| |||
| 1435 | Q | 25.5 | Very low | 26.9 | Very low | 149 Ų | 149 | 137.1 Ų | 137.1 | 70% | 0.696 | 71% | 0.71 | S | S | * | * | trans | 75.2 | 99.8 | -175.9 | -58.3 | -177.7 | -17.2 | 0 | 0 | 113.5 | F1433 | F1433-Q1435 HydrophobicContact CD1-CG 4.25Å; F1433-Q1435 HydrophobicContact CE1-CG 4.13Å | ||
| 1436 | S | 24.5 | Very low | 27.2 | Very low | 84 Ų | 84 | 138.6 Ų | 138.6 | 59% | 0.587 | 71% | 0.714 | S | S | * | * | 66.3 | 117.8 | 62.7 | 81.2 | 0 | 0 | 0 | 0 | 112.7 | |||||
| 1437 | H | 28.3 | Very low | 27.1 | Very low | 165 Ų | 165 | 135.4 Ų | 135.4 | 76% | 0.764 | 71% | 0.707 | S | S | * | * | -165 | 126.3 | 108.3 | -95.6 | -48.8 | 0 | 0 | 0 | 107.9 | |||||
| 1438 | V | 27.6 | Very low | 27.1 | Very low | 110 Ų | 110 | 136.2 Ų | 136.2 | 67% | 0.667 | 71% | 0.711 | S | S | * | * | 76.3 | 121.6 | 96.2 | 156.1 | 0 | 0 | 0 | 0 | 113.1 | |||||
| 1439 | H | 27.5 | Very low | 27.4 | Very low | 146 Ų | 146 | 137.4 Ų | 137.4 | 68% | 0.676 | 71% | 0.712 | S | S | * | * | trans | 49.9 | 119.4 | 150.5 | -71.8 | -121.5 | 0 | 0 | 0 | 120.2 | S1441 | H1439-S1441 PolarHBondContact O-N 2.91Š| ||
| 1440 | Q | 26.4 | Very low | 27.2 | Very low | 162 Ų | 162 | 140.9 Ų | 140.9 | 76% | 0.757 | 72% | 0.716 | S | S | * | * | 31.9 | 91.2 | 99.4 | -178.4 | -163.3 | 39.2 | 0 | 0 | 115.8 | |||||
| 1441 | S | 24.6 | Very low | 27.2 | Very low | 100 Ų | 100 | 138.8 Ų | 138.8 | 70% | 0.699 | 72% | 0.72 | S | S | * | * | trans | 163.8 | 168.6 | 142.7 | -78.3 | 0 | 0 | 0 | 0 | 111.9 | H1439 | H1439-S1441 PolarHBondContact O-N 2.91Š| ||
| 1442 | I | 26.3 | Very low | 27.3 | Very low | 144 Ų | 144 | 140.4 Ų | 140.4 | 74% | 0.738 | 72% | 0.72 | S | S | * | * | trans | 61.3 | 93.6 | 161 | -60.1 | 141.2 | 0 | 0 | 0 | 114.4 | ||||
| 1443 | Q | 25.8 | Very low | 27.5 | Very low | 170 Ų | 170 | 142.4 Ų | 142.4 | 79% | 0.794 | 73% | 0.727 | S | S | * | * | 70.2 | 116.6 | 76.9 | -68.6 | 177.1 | -48.6 | 0 | 0 | 116.4 | |||||
| 1444 | S | 26 | Very low | 27.5 | Very low | 96 Ų | 96 | 139.7 Ų | 139.7 | 67% | 0.671 | 73% | 0.728 | S | S | * | * | trans | 80.4 | 143.2 | 136.9 | 81.5 | 0 | 0 | 0 | 0 | 121.1 | ||||
| 1445 | R | 26 | Very low | 27.7 | Very low | 198 Ų | 198 | 138.7 Ų | 138.7 | 75% | 0.747 | 73% | 0.731 | S | S | * | * | trans | 69.6 | 144.7 | 166.1 | -55 | 165.6 | -159.1 | -102.3 | 1.8 | 114.2 | ||||
| 1446 | F | 34.2 | Very low | 27.9 | Very low | 195 Ų | 195 | 140.7 Ų | 140.7 | 86% | 0.855 | 74% | 0.737 | S | S | * | * | cis | -112.4 | 148.7 | 8.9 | -67.8 | -105.6 | 0 | 0 | 0 | 110.4 | ||||
| 1447 | S | 28.2 | Very low | 28.2 | Very low | 67 Ų | 67 | 143.6 Ų | 143.6 | 47% | 0.469 | 75% | 0.745 | S | S | . | * | cis | 77.9 | 129.4 | 32.9 | -70.3 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 1448 | D | 28.6 | Very low | 28.2 | Very low | 146 Ų | 146 | 141.3 Ų | 141.3 | 78% | 0.781 | 74% | 0.743 | S | S | * | * | cis | -118.6 | -140.6 | -22.4 | -68.4 | -54.4 | 0 | 0 | 0 | 107.1 | ||||
| 1449 | E | 33.2 | Very low | 28.2 | Very low | 181 Ų | 181 | 141.6 Ų | 141.6 | 85% | 0.846 | 74% | 0.741 | S | S | * | * | cis | -141.2 | 171.4 | 5.5 | -69.4 | -177.9 | 91.7 | 0 | 0 | 106.7 | ||||
| 1450 | E | 31.1 | Very low | 28.6 | Very low | 177 Ų | 177 | 140.5 Ų | 140.5 | 83% | 0.827 | 75% | 0.746 | S | S | * | * | cis | -120.9 | 153.6 | 10 | -60.3 | 174.8 | 106.9 | 0 | 0 | 112 | ||||
| 1451 | A | 27 | Very low | 28.7 | Very low | 105 Ų | 105 | 138.5 Ų | 138.5 | 87% | 0.868 | 74% | 0.741 | S | S | * | * | trans | -149.6 | 48.2 | 170.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 1452 | I | 29.4 | Very low | 29 | Very low | 129 Ų | 129 | 142.1 Ų | 142.1 | 66% | 0.662 | 75% | 0.747 | S | S | * | * | trans | -141 | 129.5 | 177.9 | -26.6 | 179.3 | 0 | 0 | 0 | 105 | ||||
| 1453 | F | 30.5 | Very low | 29.2 | Very low | 185 Ų | 185 | 140.3 Ų | 140.3 | 81% | 0.811 | 74% | 0.743 | S | S | * | * | cis | -130 | 143.8 | 33.5 | -93 | -101.2 | 0 | 0 | 0 | 115.4 | ||||
| 1454 | S | 24.9 | Very low | 29.3 | Very low | 109 Ų | 109 | 137.6 Ų | 137.6 | 76% | 0.762 | 74% | 0.738 | S | S | * | * | trans | -106.6 | 163.2 | 146.9 | -79.5 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 1455 | S | 26.4 | Very low | 29.4 | Very low | 95 Ų | 95 | 137.1 Ų | 137.1 | 66% | 0.664 | 73% | 0.734 | S | S | * | * | trans | 81.8 | 145.1 | 172.4 | 82.8 | 0 | 0 | 0 | 0 | 118.1 | ||||
| 1456 | K | 28.8 | Very low | 29.5 | Very low | 190 Ų | 190 | 134.2 Ų | 134.2 | 83% | 0.826 | 73% | 0.729 | S | S | * | * | trans | 74.9 | 132.7 | 171.7 | -57.4 | 177.1 | -173.7 | 179.6 | 0 | 114.4 | ||||
| 1457 | L | 30.4 | Very low | 29.3 | Very low | 145 Ų | 145 | 132.8 Ų | 132.8 | 76% | 0.759 | 72% | 0.723 | S | S | * | * | cis | -146 | 129.8 | 6.2 | -100.8 | 135.6 | 0 | 0 | 0 | 112.5 | ||||
| 1458 | T | 29.7 | Very low | 29.3 | Very low | 118 Ų | 118 | 136.6 Ų | 136.6 | 72% | 0.724 | 73% | 0.733 | S | S | * | * | trans | 42.9 | 131.1 | 138.2 | 56.5 | 0 | 0 | 0 | 0 | 125.1 | ||||
| 1459 | N | 26.8 | Very low | 29.3 | Very low | 116 Ų | 116 | 134.3 Ų | 134.3 | 62% | 0.62 | 72% | 0.724 | S | S | * | * | trans | -19 | 159 | 136.8 | -69.4 | 45.2 | 0 | 0 | 0 | 117.2 | D1461 | N1459-D1461 PolarHBondContact ND2-OD2 2.77Š| ||
| 1460 | P | 36.9 | Very low | 29 | Very low | 122 Ų | 122 | 134 Ų | 134 | 79% | 0.792 | 72% | 0.72 | S | S | * | * | cis | -93.1 | 155.8 | 37.5 | -8.2 | 29.1 | 0 | 0 | 0 | 114.3 | ||||
| 1461 | D | 27.1 | Very low | 28.9 | Very low | 121 Ų | 121 | 131.6 Ų | 131.6 | 65% | 0.647 | 72% | 0.718 | S | S | * | * | cis | 78.5 | 147.3 | 38.9 | -68.9 | -57.8 | 0 | 0 | 0 | 115.9 | N1459 | N1459-D1461 PolarHBondContact ND2-OD2 2.77Š| ||
| 1462 | E | 31 | Very low | 29.3 | Very low | 176 Ų | 176 | 132.3 Ų | 132.3 | 82% | 0.822 | 71% | 0.713 | S | S | * | * | trans | 71 | 139.4 | 172.4 | -55 | -145.8 | 107.2 | 0 | 0 | 118.3 | ||||
| 1463 | T | 31.1 | Very low | 29.5 | Very low | 105 Ų | 105 | 135 Ų | 135 | 64% | 0.644 | 72% | 0.72 | S | S | * | * | cis | -154.9 | 159.2 | -16.3 | 16.3 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 1464 | T | 28 | Very low | 29.8 | Very low | 114 Ų | 114 | 131.7 Ų | 131.7 | 70% | 0.699 | 72% | 0.718 | S | S | * | * | 24.6 | 125.1 | 127.3 | -43.2 | 0 | 0 | 0 | 0 | 117.1 | |||||
| 1465 | S | 28.2 | Very low | 30 | Very low | 85 Ų | 85 | 131.6 Ų | 131.6 | 59% | 0.594 | 71% | 0.713 | S | S | * | * | cis | -170.1 | 144.4 | 46.3 | -142.6 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 1466 | Q | 28.6 | Very low | 30.3 | Very low | 137 Ų | 137 | 133.4 Ų | 133.4 | 64% | 0.64 | 72% | 0.72 | S | S | * | * | 37.2 | 148.7 | 125.8 | -59 | 177.5 | 21.9 | 0 | 0 | 123.6 | |||||
| 1467 | K | 29.1 | Very low | 30.3 | Very low | 166 Ų | 166 | 129.5 Ų | 129.5 | 72% | 0.722 | 72% | 0.716 | S | S | * | * | trans | 84.3 | 141.6 | 138.7 | -81.9 | 159.8 | 178.3 | 159.4 | 0 | 119.6 | ||||
| 1468 | H | 29.7 | Very low | 30.5 | Very low | 147 Ų | 147 | 128.7 Ų | 128.7 | 68% | 0.681 | 72% | 0.723 | S | S | * | * | cis | -174.7 | 139.5 | -23.4 | -134.4 | -118.7 | 0 | 0 | 0 | 112.3 | ||||
| 1469 | T | 27.1 | Very low | 30.6 | Very low | 97 Ų | 97 | 132.1 Ų | 132.1 | 60% | 0.595 | 73% | 0.731 | S | S | * | * | trans | 55.5 | 154 | 143.4 | 51.1 | 0 | 0 | 0 | 0 | 124 | ||||
| 1470 | K | 28.6 | Very low | 31.1 | Very low | 176 Ų | 176 | 131.3 Ų | 131.3 | 77% | 0.765 | 73% | 0.732 | S | S | * | * | trans | 76.1 | 121.8 | 155.7 | -70.2 | 152.5 | 179 | -175.2 | 0 | 115.4 | ||||
| 1471 | T | 28.5 | Very low | 30.9 | Very low | 126 Ų | 126 | 133.9 Ų | 133.9 | 77% | 0.773 | 73% | 0.733 | S | S | * | * | 63.5 | 144.9 | 51.2 | 77.1 | 0 | 0 | 0 | 0 | 113.7 | |||||
| 1472 | P | 35 | Very low | 31.1 | Very low | 119 Ų | 119 | 135.2 Ų | 135.2 | 77% | 0.773 | 74% | 0.735 | S | S | * | * | cis | -133.7 | -168 | 11.4 | 40 | -20.1 | 0 | 0 | 0 | 115.6 | ||||
| 1473 | F | 32.6 | Very low | 31.2 | Very low | 185 Ų | 185 | 132.7 Ų | 132.7 | 81% | 0.811 | 73% | 0.732 | S | S | * | * | trans | -60.2 | 154.4 | 160.4 | -77.2 | -99.1 | 0 | 0 | 0 | 111.9 | ||||
| 1474 | P | 37.1 | Very low | 31.1 | Very low | 117 Ų | 117 | 134.3 Ų | 134.3 | 76% | 0.76 | 74% | 0.735 | S | S | * | * | -125.7 | 155 | 90.1 | 38.3 | -32.1 | 0 | 0 | 0 | 112 | |||||
| 1475 | T | 29.4 | Very low | 31.3 | Very low | 106 Ų | 106 | 136 Ų | 136 | 65% | 0.65 | 74% | 0.74 | S | S | * | * | cis | 81.3 | 140 | 31.8 | -45.7 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 1476 | T | 32.9 | Very low | 31.5 | Very low | 133 Ų | 133 | 137.1 Ų | 137.1 | 82% | 0.816 | 75% | 0.748 | S | S | * | * | trans | 84.9 | 153.1 | -175.6 | 72.7 | 0 | 0 | 0 | 0 | 116.7 | ||||
| 1477 | S | 28.7 | Very low | 31.7 | Very low | 108 Ų | 108 | 137 Ų | 137 | 76% | 0.755 | 76% | 0.757 | S | S | * | * | 172.5 | 116.8 | -60.4 | 49.5 | 0 | 0 | 0 | 0 | 109.9 | |||||
| 1478 | S | 33.9 | Very low | 32 | Very low | 128 Ų | 128 | 134.3 Ų | 134.3 | 90% | 0.895 | 76% | 0.759 | S | S | * | * | trans | -159.1 | 152.1 | 159 | 47.8 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 1479 | Q | 32.1 | Very low | 32.3 | Very low | 190 Ų | 190 | 134.6 Ų | 134.6 | 89% | 0.888 | 77% | 0.765 | S | S | * | * | trans | -93.3 | 176.8 | -162.7 | -106.1 | -152 | -38 | 0 | 0 | 114 | ||||
| 1480 | P | 37.5 | Very low | 32.5 | Very low | 99 Ų | 99 | 134.9 Ų | 134.9 | 64% | 0.643 | 77% | 0.771 | S | S | * | * | trans | -98.7 | -176.4 | -159.5 | 41.4 | -39.1 | 0 | 0 | 0 | 114.1 | ||||
| 1481 | H | 33.9 | Very low | 32.6 | Very low | 176 Ų | 176 | 133.2 Ų | 133.2 | 82% | 0.815 | 77% | 0.77 | S | S | * | * | trans | -144.4 | 163.8 | 140.9 | -108.9 | -68.5 | 0 | 0 | 0 | 111.4 | ||||
| 1482 | E | 30.4 | Very low | 32.6 | Very low | 149 Ų | 149 | 134.1 Ų | 134.1 | 70% | 0.696 | 77% | 0.769 | S | S | * | * | trans | -82.8 | 167.9 | -170.4 | -46.1 | 103.2 | 122.5 | 0 | 0 | 114.1 | ||||
| 1483 | T | 32.2 | Very low | 32.2 | Very low | 123 Ų | 123 | 134 Ų | 134 | 76% | 0.755 | 77% | 0.769 | S | S | * | * | 177.6 | 106.1 | 110.7 | -70.6 | 0 | 0 | 0 | 0 | 112.5 | |||||
| 1484 | I | 30.2 | Very low | 32.3 | Very low | 139 Ų | 139 | 137.4 Ų | 137.4 | 71% | 0.713 | 79% | 0.788 | S | S | * | * | trans | 41 | 108.4 | 138.1 | -49.9 | 172.2 | 0 | 0 | 0 | 118.5 | ||||
| 1485 | N | 30.8 | Very low | 32 | Very low | 149 Ų | 149 | 138.4 Ų | 138.4 | 80% | 0.797 | 79% | 0.789 | S | S | * | * | -176.2 | 166.2 | 98.8 | -122.4 | -36.3 | 0 | 0 | 0 | 115.9 | |||||
| 1486 | S | 33.2 | Very low | 32.1 | Very low | 110 Ų | 110 | 140.1 Ų | 140.1 | 77% | 0.769 | 80% | 0.796 | S | S | * | * | trans | 51.3 | 102.3 | 164.5 | 57.6 | 0 | 0 | 0 | 0 | 119.1 | ||||
| 1487 | T | 32.4 | Very low | 32.1 | Very low | 135 Ų | 135 | 140.5 Ų | 140.5 | 83% | 0.828 | 80% | 0.795 | S | S | * | * | trans | -92 | 126.4 | 167.8 | 46.8 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 1488 | S | 36.2 | Very low | 32.3 | Very low | 108 Ų | 108 | 142.4 Ų | 142.4 | 76% | 0.755 | 80% | 0.797 | S | S | * | * | trans | -118.2 | 96.8 | 170 | 58.4 | 0 | 0 | 0 | 0 | 110.3 | S1490 | S1488-S1490 PolarHBondContact O-N 3.19Å; S1488-S1490 VanDerWaalsContact O-N 3.07Å | ||
| 1489 | D | 35.5 | Very low | 32.2 | Very low | 153 Ų | 153 | 143.3 Ų | 143.3 | 82% | 0.818 | 79% | 0.791 | S | S | * | * | trans | -78.4 | 93 | -177.9 | -76.8 | -43 | 0 | 0 | 0 | 112.4 | ||||
| 1490 | S | 31.7 | Very low | 32.2 | Very low | 103 Ų | 103 | 140.2 Ų | 140.2 | 72% | 0.72 | 79% | 0.785 | S | S | * | * | trans | -125.9 | 74.9 | 160.5 | 68.6 | 0 | 0 | 0 | 0 | 110.5 | S1488 | S1488-S1490 PolarHBondContact O-N 3.19Å; S1488-S1490 VanDerWaalsContact O-N 3.07Å | ||
| 1491 | L | 31 | Very low | 31.8 | Very low | 142 Ų | 142 | 143.1 Ų | 143.1 | 74% | 0.743 | 80% | 0.795 | S | S | * | * | trans | -123 | 115.2 | 171.9 | -70.8 | 174.2 | 0 | 0 | 0 | 107.7 | ||||
| 1492 | I | 28.6 | Very low | 31.7 | Very low | 145 Ų | 145 | 140.6 Ų | 140.6 | 74% | 0.744 | 79% | 0.794 | S | S | * | * | 91.6 | 150.2 | 73.6 | -87.1 | -174.8 | 0 | 0 | 0 | 111.6 | |||||
| 1493 | C | 26.5 | Very low | 31.8 | Very low | 115 Ų | 115 | 139.9 Ų | 139.9 | 78% | 0.777 | 80% | 0.802 | S | S | * | * | trans | 73.5 | 124.3 | -173.2 | -64.8 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 1494 | Q | 33.2 | Very low | 31.8 | Very low | 257 Ų | 257 | 141.5 Ų | 141.5 | 100% | 1.201 | 81% | 0.806 | S | S | * | * | cis | -154.2 | 0 | -2.7 | -169.8 | 169.9 | 51.7 | 0 | 0 | 111 |
Retrieved 1,494 of 1,494 residues in 658.6 ms
(Link to these results)