| 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 | 45.2 | Very low | 55 | Low | 247 Ų | 247 | 123.4 Ų | 123.4 | 100% | 1.217 | 75% | 0.75 | S | S | * | * | 0 | 97.8 | 0 | -70.9 | -168.1 | -89.3 | 0 | 0 | 107.4 | S3 | M1-S3 PolarHBondContact O-N 3.25Š| |||
| 2 | A | 41.2 | Very low | 58.3 | Low | 109 Ų | 109 | 128 Ų | 128 | 90% | 0.901 | 74% | 0.744 | S | S | * | * | trans | -86.3 | 105.1 | -178.2 | 0 | 0 | 0 | 0 | 0 | 109 | ||||
| 3 | S | 43.9 | Very low | 61.1 | Low | 114 Ų | 114 | 120.2 Ų | 120.2 | 80% | 0.797 | 70% | 0.696 | S | S | * | * | trans | -83.4 | 106.6 | 166.8 | 61.8 | 0 | 0 | 0 | 0 | 108.4 | M1 G5 | M1-S3 PolarHBondContact O-N 3.25Å; S3-G5 PolarHBondContact O-N 3.1Å; S3-G5 VanDerWaalsContact O-N 3.1Å | ||
| 4 | S | 44.7 | Very low | 63.7 | Low | 113 Ų | 113 | 113.9 Ų | 113.9 | 79% | 0.79 | 66% | 0.66 | S | S | * | * | trans | -65.7 | 100.6 | 166.1 | 54.1 | 0 | 0 | 0 | 0 | 109.4 | T6 | S4-T6 PolarHBondContact O-N 3.45Š| ||
| 5 | G | 42.2 | Very low | 66 | Low | 70 Ų | 70 | 106.3 Ų | 106.3 | 72% | 0.722 | 62% | 0.616 | S | S | * | * | trans | -77.3 | 102 | 170.4 | 0 | 0 | 0 | 0 | 0 | 110.2 | S3 T7 | S3-G5 PolarHBondContact O-N 3.1Å; S3-G5 VanDerWaalsContact O-N 3.1Å; G5-T7 PolarHBondContact O-N 3.45Å | ||
| 6 | T | 48.1 | Very low | 68 | Low | 137 Ų | 137 | 99.9 Ų | 99.9 | 84% | 0.84 | 58% | 0.579 | S | S | * | * | trans | -73.2 | 100.9 | 160.2 | 30.7 | 0 | 0 | 0 | 0 | 108 | S4 S8 | S4-T6 PolarHBondContact O-N 3.45Å; T6-S8 VanDerWaalsContact C-N 3.33Å; T6-S8 PolarHBondContact O-N 3.18Å | ||
| 7 | T | 47.5 | Very low | 69.8 | Low | 131 Ų | 131 | 99.6 Ų | 99.6 | 80% | 0.804 | 57% | 0.571 | S | S | * | * | trans | -66.5 | 92.9 | 166.8 | 42.9 | 0 | 0 | 0 | 0 | 108.8 | G5 T9 | G5-T7 PolarHBondContact O-N 3.45Å; T7-T9 PolarHBondContact O-N 3.32Å | ||
| 8 | S | 54.6 | Low | 71.3 | Confident | 63 Ų | 63 | 94.1 Ų | 94.1 | 44% | 0.441 | 54% | 0.539 | S | S | . | . | trans | -71 | 111.2 | 168 | -177.7 | 0 | 0 | 0 | 0 | 109.4 | T6 R10 E182 | T6-S8 VanDerWaalsContact C-N 3.33Å; T6-S8 PolarHBondContact O-N 3.18Å; S8-R10 PolarHBondContact O-N 3.3Å; S8-E182 WeakPolarHBondContact CB-OE1 3.15Å; S8-E182 WeakPolarHBondContact OG-CG 3.33Å; S8-E182 PolarHBondContact OG-OE1 3.38Å | ||
| 9 | T | 67.6 | Low | 72.7 | Confident | 114 Ų | 114 | 89.1 Ų | 89.1 | 70% | 0.699 | 51% | 0.511 | S | S | * | . | trans | -81.9 | 89.4 | 178.6 | 45.9 | 0 | 0 | 0 | 0 | 109.9 | T7 K11 | T7-T9 PolarHBondContact O-N 3.32Å; T9-K11 PolarHBondContact O-N 2.97Å | ||
| 10 | R | 81.8 | Confident | 73.9 | Confident | 152 Ų | 152 | 85.1 Ų | 85.1 | 57% | 0.574 | 49% | 0.488 | S | S | * | . | trans | -58.4 | 132.2 | 168.3 | -68.6 | -175.7 | -177.3 | 173.7 | 0.2 | 110 | S8 E180 E182 | S8-R10 PolarHBondContact O-N 3.3Å; R10-E180 HydrophobicContact CB-CB 4.37Å; R10-E180 VanDerWaalsContact CD-OE2 3.31Å; R10-E180 WeakPolarHBondContact CD-OE2 3.25Å; R10-E180 IonicContact NH1-OE2 2.8Å; R10-E180 PolarHBondContact NH1-OE2 3.42Å; R10-E182 HydrophobicContact CG-CB 4.2Å; R10-E182 IonicContact NE-OE2 3.5Å | ||
| 11 | K | 88.6 | Confident | 75 | Confident | 107 Ų | 107 | 82.9 Ų | 82.9 | 47% | 0.465 | 47% | 0.473 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.8 | 140.3 | 172.7 | -68.4 | -175.5 | 179.6 | -179.4 | 0 | 109.3 | T9 F13 E180 I181 | T9-K11 PolarHBondContact O-N 2.97Å; K11-F13 HydrophobicContact CB-CD2 4.21Å; K11-F13 HydrophobicContact CB-CE2 3.48Å; K11-F13 VanDerWaalsContact CB-CE2 3.48Å; K11-F13 HydrophobicContact CB-CZ 4.12Å; K11-F13 HydrophobicContact CD-CE2 4.17Å; K11-F13 HydrophobicContact CD-CZ 4.12Å; K11-F13 HydrophobicContact CG-CE2 4.49Å; K11-E180 WeakPolarHBondContact O-CA 3.49Å; K11-I181 PolarHBondContact N-O 3.14Å; K11-I181 PolarHBondContact O-N 3.16Å |
| 12 | R | 93.8 | Very high | 77.4 | Confident | 179 Ų | 179 | 71.1 Ų | 71.1 | 68% | 0.675 | 42% | 0.415 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -104.7 | 130 | 179.7 | -171.7 | 174.7 | -179.6 | -167.3 | -5.5 | 109.3 | V178 F179 E180 | R12-V178 HydrophobicContact CG-CG1 3.55Å; R12-F179 WeakPolarHBondContact CA-O 3.39Å; R12-E180 HydrophobicContact CB-CG 4.45Å; R12-E180 HydrophobicContact CG-CG 4.47Å |
| 13 | F | 95.2 | Very high | 80.1 | Confident | 27 Ų | 27 | 65.9 Ų | 65.9 | 12% | 0.118 | 37% | 0.372 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.1 | 150.4 | 178.7 | -64.6 | -83.7 | 0 | 0 | 0 | 110.2 | K11 E17 F18 H21 V178 F179 I181 | K11-F13 HydrophobicContact CB-CD2 4.21Å; K11-F13 HydrophobicContact CB-CE2 3.48Å; K11-F13 VanDerWaalsContact CB-CE2 3.48Å; K11-F13 HydrophobicContact CB-CZ 4.12Å; K11-F13 HydrophobicContact CD-CE2 4.17Å; K11-F13 HydrophobicContact CD-CZ 4.12Å; K11-F13 HydrophobicContact CG-CE2 4.49Å; F13-E17 HydrophobicContact CB-CB 4.37Å; F13-E17 HydrophobicContact CD1-CB 3.98Å; F13-F18 HydrophobicContact CB-CB 3.98Å; F13-F18 HydrophobicContact CD2-CD2 4.46Å; F13-F18 HydrophobicContact CG-CB 4.31Å; F13-H21 HydrophobicContact CE1-CB 4.1Å; F13-H21 AromaticContact CE1-CG 3.99Å; F13-V178 WeakPolarHBondContact O-CA 3.38Å; F13-F179 HydrophobicContact CB-CD1 4.49Å; F13-F179 HydrophobicContact CB-CE1 3.98Å; F13-F179 PolarHBondContact N-O 3.38Å; F13-F179 WeakPolarHBondContact O-CD1 3.17Å; F13-F179 PolarHBondContact O-N 3.19Å; F13-I181 HydrophobicContact CD2-CG2 3.92Å; F13-I181 HydrophobicContact CE2-CG2 3.95Å |
| 14 | T | 97.6 | Very high | 82.6 | Confident | 32 Ų | 32 | 62.1 Ų | 62.1 | 20% | 0.196 | 34% | 0.342 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.8 | 159.9 | 150.9 | 62.7 | 0 | 0 | 0 | 0 | 110 | A16 E17 F18 A177 V178 | T14-A16 PolarHBondContact O-N 2.61Å; T14-E17 PolarHBondContact N-OE2 3.33Å; T14-E17 PolarHBondContact O-N 3.42Å; T14-E17 WeakPolarHBondContact OG1-CB 3.49Å; T14-E17 WeakPolarHBondContact OG1-CG 3.39Å; T14-E17 PolarHBondContact OG1-N 2.98Å; T14-E17 VanDerWaalsContact OG1-N 3.08Å; T14-E17 PolarHBondContact OG1-OE2 2.99Å; T14-E17 VanDerWaalsContact OG1-OE2 3.06Å; T14-F18 WeakPolarHBondContact O-CB 3.4Å; T14-F18 PolarHBondContact O-N 3.08Å; T14-A177 CarbonylContact C-O 3.55Å; T14-A177 VanDerWaalsContact CA-O 3.24Å; T14-A177 WeakPolarHBondContact CA-O 3.29Å; T14-V178 HydrophobicContact CG2-CG2 3.96Å |
| 15 | G | 97.8 | Very high | 85 | Confident | 0 Ų | 0 | 59.9 Ų | 59.9 | 0% | 0 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -55.2 | -40.4 | 172.3 | 0 | 0 | 0 | 0 | 0 | 113 | F18 I19 Q175 A177 | G15-F18 PolarHBondContact O-N 3.08Å; G15-I19 WeakPolarHBondContact O-CD1 3.34Å; G15-I19 VanDerWaalsContact O-CG1 3.27Å; G15-I19 WeakPolarHBondContact O-CG1 3.27Å; G15-I19 PolarHBondContact O-N 2.84Å; G15-Q175 CarbonylContact C-O 3.38Å; G15-Q175 WeakPolarHBondContact CA-O 3.36Å; G15-Q175 PolarHBondContact N-O 3.45Å; G15-A177 PolarHBondContact N-O 3.43Å |
| 16 | A | 98.4 | Very high | 87.5 | Confident | 3 Ų | 3 | 58 Ų | 58 | 3% | 0.025 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -61.7 | -50.1 | 175.8 | 0 | 0 | 0 | 0 | 0 | 113.3 | T14 F18 I19 V20 P41 V42 A45 Q175 | T14-A16 PolarHBondContact O-N 2.61Å; A16-F18 VanDerWaalsContact C-N 3.28Å; A16-F18 PolarHBondContact O-N 3.06Å; A16-I19 PolarHBondContact O-N 3.04Å; A16-V20 PolarHBondContact O-N 3.18Å; A16-P41 VanDerWaalsContact CB-C 3.42Å; A16-P41 HydrophobicContact CB-CB 3.93Å; A16-P41 VanDerWaalsContact CB-O 3.27Å; A16-P41 WeakPolarHBondContact CB-O 3.5Å; A16-V42 HydrophobicContact CB-CG2 4.07Å; A16-A45 HydrophobicContact CB-CB 4.12Å; A16-Q175 HydrophobicContact CB-CB 4.47Å; A16-Q175 PolarHBondContact N-O 3.21Å |
| 17 | E | 97.7 | Very high | 89.8 | Confident | 95 Ų | 95 | 53.4 Ų | 53.4 | 44% | 0.444 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -61.2 | -39 | 176.5 | -70.9 | 164.7 | 151.4 | 0 | 0 | 111.3 | F13 T14 V20 H21 A45 | F13-E17 HydrophobicContact CB-CB 4.37Å; F13-E17 HydrophobicContact CD1-CB 3.98Å; T14-E17 PolarHBondContact N-OE2 3.33Å; T14-E17 PolarHBondContact O-N 3.42Å; T14-E17 WeakPolarHBondContact OG1-CB 3.49Å; T14-E17 WeakPolarHBondContact OG1-CG 3.39Å; T14-E17 PolarHBondContact OG1-N 2.98Å; T14-E17 VanDerWaalsContact OG1-N 3.08Å; T14-E17 PolarHBondContact OG1-OE2 2.99Å; T14-E17 VanDerWaalsContact OG1-OE2 3.06Å; E17-V20 PolarHBondContact O-N 3.33Å; E17-H21 VanDerWaalsContact O-CB 3.27Å; E17-H21 WeakPolarHBondContact O-CB 3.36Å; E17-H21 PolarHBondContact O-N 2.84Å; E17-A45 HydrophobicContact CG-CB 4.33Å |
| 18 | F | 97.1 | Very high | 92.2 | Very high | 0 Ų | 0 | 48 Ų | 48 | 0% | 0 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -64.5 | -42.3 | 176.9 | 177 | -93.6 | 0 | 0 | 0 | 112.2 | F13 T14 G15 A16 V20 H21 F22 L147 P148 M151 F179 I181 | F13-F18 HydrophobicContact CB-CB 3.98Å; F13-F18 HydrophobicContact CD2-CD2 4.46Å; F13-F18 HydrophobicContact CG-CB 4.31Å; T14-F18 WeakPolarHBondContact O-CB 3.4Å; T14-F18 PolarHBondContact O-N 3.08Å; G15-F18 PolarHBondContact O-N 3.08Å; A16-F18 VanDerWaalsContact C-N 3.28Å; A16-F18 PolarHBondContact O-N 3.06Å; F18-V20 PolarHBondContact O-N 2.54Å; F18-H21 PolarHBondContact O-N 3.45Å; F18-F22 HydrophobicContact CE1-CB 4.15Å; F18-F22 HydrophobicContact CE1-CD2 4.42Å; F18-F22 HydrophobicContact CE1-CG 4.46Å; F18-F22 HydrophobicContact CZ-CB 4.21Å; F18-F22 HydrophobicContact CZ-CD2 4.01Å; F18-F22 HydrophobicContact CZ-CG 4.43Å; F18-F22 VanDerWaalsContact O-CB 3.22Å; F18-F22 WeakPolarHBondContact O-CB 3.41Å; F18-F22 PolarHBondContact O-N 2.94Å; F18-L147 HydrophobicContact CD1-CD2 4.02Å; F18-L147 HydrophobicContact CD1-CG 4.05Å; F18-L147 HydrophobicContact CE1-CG 4.39Å; F18-P148 HydrophobicContact CD1-CG 4.46Å; F18-P148 VanDerWaalsContact CE1-CA 3.47Å; F18-P148 HydrophobicContact CE1-CB 3.92Å; F18-P148 HydrophobicContact CE1-CG 3.89Å; F18-P148 HydrophobicContact CE2-CB 4.23Å; F18-P148 HydrophobicContact CE2-CG 4.14Å; F18-P148 HydrophobicContact CZ-CB 3.51Å; F18-P148 HydrophobicContact CZ-CG 3.71Å; F18-M151 HydrophobicContact CE1-CG 4.44Å; F18-F179 HydrophobicContact CB-CE1 3.86Å; F18-F179 HydrophobicContact CB-CZ 4.02Å; F18-F179 HydrophobicContact CD1-CZ 4.41Å; F18-F179 HydrophobicContact CD2-CE1 4.46Å; F18-F179 AromaticContact CD2-CZ 3.81Å; F18-F179 HydrophobicContact CD2-CZ 3.81Å; F18-F179 HydrophobicContact CE2-CZ 4.45Å; F18-F179 HydrophobicContact CG-CE1 4.14Å; F18-F179 AromaticContact CG-CZ 3.78Å; F18-F179 HydrophobicContact CG-CZ 3.78Å; F18-I181 HydrophobicContact CE2-CD1 4.09Å |
| 19 | I | 97.8 | Very high | 94.2 | Very high | 0 Ų | 0 | 50.1 Ų | 50.1 | 0% | 0 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -56.9 | -50.7 | 176.7 | -70.5 | 155.7 | 0 | 0 | 0 | 110 | G15 A16 F22 L23 V42 I108 L147 M151 I170 | G15-I19 WeakPolarHBondContact O-CD1 3.34Å; G15-I19 VanDerWaalsContact O-CG1 3.27Å; G15-I19 WeakPolarHBondContact O-CG1 3.27Å; G15-I19 PolarHBondContact O-N 2.84Å; A16-I19 PolarHBondContact O-N 3.04Å; I19-F22 PolarHBondContact O-N 3.06Å; I19-L23 HydrophobicContact CG2-CD1 4.14Å; I19-L23 HydrophobicContact CG2-CG 4.47Å; I19-L23 VanDerWaalsContact O-CG 3.28Å; I19-L23 WeakPolarHBondContact O-CG 3.4Å; I19-L23 PolarHBondContact O-N 2.89Å; I19-V42 HydrophobicContact CD1-CG2 3.75Å; I19-V42 HydrophobicContact CG2-CG1 4.34Å; I19-I108 HydrophobicContact CG2-CD1 4.17Å; I19-L147 HydrophobicContact CD1-CD1 4.42Å; I19-L147 HydrophobicContact CD1-CD2 4.24Å; I19-L147 HydrophobicContact CG1-CD1 4.2Å; I19-L147 HydrophobicContact CG1-CD2 4.05Å; I19-L147 HydrophobicContact CG1-CG 4.5Å; I19-M151 HydrophobicContact CG2-CE 4.21Å; I19-I170 HydrophobicContact CD1-CD1 3.46Å; I19-I170 VanDerWaalsContact CD1-CD1 3.46Å; I19-I170 HydrophobicContact CG1-CD1 4.21Å |
| 20 | V | 98 | Very high | 95.7 | Very high | 8 Ų | 8 | 46.3 Ų | 46.3 | 5% | 0.048 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -61.8 | -49.8 | -179.9 | 177.8 | 0 | 0 | 0 | 0 | 111 | A16 E17 F18 F22 L23 E24 A45 L46 I52 | A16-V20 PolarHBondContact O-N 3.18Å; E17-V20 PolarHBondContact O-N 3.33Å; F18-V20 PolarHBondContact O-N 2.54Å; V20-F22 VanDerWaalsContact C-N 3.28Å; V20-F22 PolarHBondContact O-N 2.88Å; V20-L23 PolarHBondContact O-N 3.5Å; V20-E24 WeakPolarHBondContact O-CG 3.14Å; V20-E24 PolarHBondContact O-N 2.99Å; V20-A45 HydrophobicContact CB-CB 4.43Å; V20-A45 HydrophobicContact CG2-CB 3.71Å; V20-L46 HydrophobicContact CG2-CB 4.44Å; V20-L46 HydrophobicContact CG2-CD1 3.54Å; V20-L46 HydrophobicContact CG2-CG 3.98Å; V20-I52 HydrophobicContact CG1-CD1 4.38Å |
| 21 | H | 95.9 | Very high | 96.5 | Very high | 39 Ų | 39 | 39.1 Ų | 39.1 | 18% | 0.181 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -56.4 | -41.9 | 176.9 | 177.1 | 81.6 | 0 | 0 | 0 | 112.1 | F13 E17 F18 E24 Q25 Q184 | F13-H21 HydrophobicContact CE1-CB 4.1Å; F13-H21 AromaticContact CE1-CG 3.99Å; E17-H21 VanDerWaalsContact O-CB 3.27Å; E17-H21 WeakPolarHBondContact O-CB 3.36Å; E17-H21 PolarHBondContact O-N 2.84Å; F18-H21 PolarHBondContact O-N 3.45Å; H21-E24 WeakPolarHBondContact O-CB 3.31Å; H21-E24 PolarHBondContact O-N 2.55Å; H21-Q25 PolarHBondContact NE2-NE2 3.22Å; H21-Q25 PolarHBondContact NE2-OE1 2.75Å; H21-Q25 WeakPolarHBondContact O-CG 3.5Å; H21-Q25 PolarHBondContact O-N 2.94Å; H21-Q25 VanDerWaalsContact O-N 3.09Å; H21-Q184 PolarHBondContact NE2-NE2 2.84Å; H21-Q184 VanDerWaalsContact NE2-NE2 3.17Å; H21-Q184 PolarHBondContact NE2-OE1 3.45Å |
| 22 | F | 96.5 | Very high | 97 | Very high | 0 Ų | 0 | 34 Ų | 34 | 0% | 0 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -66.8 | -43.7 | 178.2 | -177 | -90.6 | 0 | 0 | 0 | 112 | F18 I19 V20 E24 Q25 Q26 M151 F155 P185 | F18-F22 HydrophobicContact CE1-CB 4.15Å; F18-F22 HydrophobicContact CE1-CD2 4.42Å; F18-F22 HydrophobicContact CE1-CG 4.46Å; F18-F22 HydrophobicContact CZ-CB 4.21Å; F18-F22 HydrophobicContact CZ-CD2 4.01Å; F18-F22 HydrophobicContact CZ-CG 4.43Å; F18-F22 VanDerWaalsContact O-CB 3.22Å; F18-F22 WeakPolarHBondContact O-CB 3.41Å; F18-F22 PolarHBondContact O-N 2.94Å; I19-F22 PolarHBondContact O-N 3.06Å; V20-F22 VanDerWaalsContact C-N 3.28Å; V20-F22 PolarHBondContact O-N 2.88Å; F22-E24 VanDerWaalsContact C-N 3.29Å; F22-E24 PolarHBondContact O-N 2.71Å; F22-Q25 WeakPolarHBondContact O-CB 3.46Å; F22-Q25 PolarHBondContact O-N 2.93Å; F22-Q25 VanDerWaalsContact O-N 3.1Å; F22-Q26 HydrophobicContact CD1-CG 3.89Å; F22-Q26 HydrophobicContact CE1-CG 3.43Å; F22-Q26 VanDerWaalsContact CE1-CG 3.43Å; F22-Q26 HydrophobicContact CZ-CG 3.89Å; F22-Q26 WeakPolarHBondContact O-CG 3.39Å; F22-Q26 PolarHBondContact O-N 2.89Å; F22-M151 HydrophobicContact CD1-CB 3.8Å; F22-M151 HydrophobicContact CD1-CE 3.73Å; F22-M151 HydrophobicContact CD2-CB 4.49Å; F22-M151 HydrophobicContact CE1-CB 3.71Å; F22-M151 HydrophobicContact CE1-CE 4.29Å; F22-M151 HydrophobicContact CE2-CB 4.42Å; F22-M151 HydrophobicContact CG-CB 4.19Å; F22-M151 HydrophobicContact CZ-CB 4.04Å; F22-F155 AromaticContact CE1-CD2 3.81Å; F22-F155 HydrophobicContact CE1-CD2 3.81Å; F22-F155 HydrophobicContact CE1-CE2 4.03Å; F22-P185 HydrophobicContact CE2-CB 4.2Å; F22-P185 HydrophobicContact CE2-CG 4.4Å |
| 23 | L | 97.7 | Very high | 97.2 | Very high | 0 Ų | 0 | 25.5 Ų | 25.5 | 0% | 0 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -60.5 | -39.9 | 176 | -68.3 | 178.7 | 0 | 0 | 0 | 111.7 | I19 V20 Q25 Q26 G27 I28 V31 I52 V79 M81 I108 M151 F155 | I19-L23 HydrophobicContact CG2-CD1 4.14Å; I19-L23 HydrophobicContact CG2-CG 4.47Å; I19-L23 VanDerWaalsContact O-CG 3.28Å; I19-L23 WeakPolarHBondContact O-CG 3.4Å; I19-L23 PolarHBondContact O-N 2.89Å; V20-L23 PolarHBondContact O-N 3.5Å; L23-Q25 VanDerWaalsContact C-N 3.32Å; L23-Q25 PolarHBondContact O-N 2.89Å; L23-Q26 PolarHBondContact O-N 3.17Å; L23-G27 PolarHBondContact O-N 2.99Å; L23-I28 HydrophobicContact CB-CB 4.27Å; L23-I28 HydrophobicContact CD2-CG1 4.29Å; L23-I28 WeakPolarHBondContact O-CB 3.48Å; L23-I28 PolarHBondContact O-N 3.48Å; L23-V31 HydrophobicContact CD1-CG1 4.4Å; L23-I52 HydrophobicContact CB-CD1 3.69Å; L23-V79 HydrophobicContact CD1-CG1 4.42Å; L23-V79 HydrophobicContact CD2-CG2 3.97Å; L23-M81 HydrophobicContact CD1-CE 3.37Å; L23-I108 HydrophobicContact CD1-CD1 4.3Å; L23-I108 HydrophobicContact CD2-CD1 4.42Å; L23-M151 HydrophobicContact CD2-CE 4.12Å; L23-M151 HydrophobicContact CG-CE 4.46Å; L23-F155 HydrophobicContact CD2-CE2 3.75Å; L23-F155 HydrophobicContact CD2-CZ 3.54Å |
| 24 | E | 96.8 | Very high | 97.3 | Very high | 35 Ų | 35 | 25.8 Ų | 25.8 | 16% | 0.164 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -60.3 | -41.8 | 173.3 | -68.8 | -177.7 | 165.6 | 0 | 0 | 111.8 | V20 H21 F22 G27 S49 Q51 I52 | V20-E24 WeakPolarHBondContact O-CG 3.14Å; V20-E24 PolarHBondContact O-N 2.99Å; H21-E24 WeakPolarHBondContact O-CB 3.31Å; H21-E24 PolarHBondContact O-N 2.55Å; F22-E24 VanDerWaalsContact C-N 3.29Å; F22-E24 PolarHBondContact O-N 2.71Å; E24-G27 WeakPolarHBondContact O-CA 3.46Å; E24-G27 PolarHBondContact O-N 3.19Å; E24-S49 WeakPolarHBondContact OE1-CB 3.27Å; E24-S49 PolarHBondContact OE1-OG 3.37Å; E24-Q51 VanDerWaalsContact CD-NE2 3.27Å; E24-Q51 HydrophobicContact CG-CB 4Å; E24-Q51 PolarHBondContact OE2-NE2 3.32Å; E24-I52 HydrophobicContact CG-CD1 3.71Å; E24-I52 HydrophobicContact CG-CG1 3.92Å |
| 25 | Q | 94.7 | Very high | 97.3 | Very high | 66 Ų | 66 | 27.1 Ų | 27.1 | 31% | 0.308 | 14% | 0.144 | S | C | . | . | H | α-helix | trans | -65.3 | -36.8 | 176 | -72.4 | -178.4 | -37.8 | 0 | 0 | 113 | H21 F22 L23 G27 V187 | H21-Q25 PolarHBondContact NE2-NE2 3.22Å; H21-Q25 PolarHBondContact NE2-OE1 2.75Å; H21-Q25 WeakPolarHBondContact O-CG 3.5Å; H21-Q25 PolarHBondContact O-N 2.94Å; H21-Q25 VanDerWaalsContact O-N 3.09Å; F22-Q25 WeakPolarHBondContact O-CB 3.46Å; F22-Q25 PolarHBondContact O-N 2.93Å; F22-Q25 VanDerWaalsContact O-N 3.1Å; L23-Q25 VanDerWaalsContact C-N 3.32Å; L23-Q25 PolarHBondContact O-N 2.89Å; Q25-G27 PolarHBondContact O-N 2.58Å; Q25-G27 VanDerWaalsContact O-N 3.16Å; Q25-V187 WeakPolarHBondContact O-CG2 3.39Å |
| 26 | Q | 95.4 | Very high | 97.2 | Very high | 29 Ų | 29 | 28 Ų | 28 | 14% | 0.136 | 15% | 0.153 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -69.7 | -2.9 | 172.5 | -61.5 | -53.3 | -44.1 | 0 | 0 | 112.8 | F22 L23 I28 F155 | F22-Q26 HydrophobicContact CD1-CG 3.89Å; F22-Q26 HydrophobicContact CE1-CG 3.43Å; F22-Q26 VanDerWaalsContact CE1-CG 3.43Å; F22-Q26 HydrophobicContact CZ-CG 3.89Å; F22-Q26 WeakPolarHBondContact O-CG 3.39Å; F22-Q26 PolarHBondContact O-N 2.89Å; L23-Q26 PolarHBondContact O-N 3.17Å; Q26-I28 VanDerWaalsContact C-N 3.3Å; Q26-I28 HydrophobicContact CB-CG1 4.26Å; Q26-F155 HydrophobicContact CB-CD1 4.25Å; Q26-F155 HydrophobicContact CB-CE1 3.94Å; Q26-F155 HydrophobicContact CB-CZ 4.3Å; Q26-F155 HydrophobicContact CG-CD1 4.03Å; Q26-F155 HydrophobicContact CG-CD2 4.35Å; Q26-F155 HydrophobicContact CG-CE1 4.03Å; Q26-F155 HydrophobicContact CG-CE2 4.33Å; Q26-F155 HydrophobicContact CG-CG 4.19Å; Q26-F155 HydrophobicContact CG-CZ 4.18Å |
| 27 | G | 95.3 | Very high | 97.1 | Very high | 41 Ų | 41 | 29.5 Ų | 29.5 | 42% | 0.423 | 17% | 0.169 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 77.6 | 14.6 | 179.7 | 0 | 0 | 0 | 0 | 0 | 113.6 | L23 E24 Q25 K29 | L23-G27 PolarHBondContact O-N 2.99Å; E24-G27 WeakPolarHBondContact O-CA 3.46Å; E24-G27 PolarHBondContact O-N 3.19Å; Q25-G27 PolarHBondContact O-N 2.58Å; Q25-G27 VanDerWaalsContact O-N 3.16Å; G27-K29 PolarHBondContact O-N 2.93Å |
| 28 | I | 97.8 | Very high | 97.1 | Very high | 18 Ų | 18 | 25.4 Ų | 25.4 | 9% | 0.092 | 15% | 0.151 | C | C | . | . | trans | -64.5 | 127.5 | 174.3 | -60.9 | -60.1 | 0 | 0 | 0 | 108.7 | L23 Q26 I30 V31 I52 P77 V79 F155 | L23-I28 HydrophobicContact CB-CB 4.27Å; L23-I28 HydrophobicContact CD2-CG1 4.29Å; L23-I28 WeakPolarHBondContact O-CB 3.48Å; L23-I28 PolarHBondContact O-N 3.48Å; Q26-I28 VanDerWaalsContact C-N 3.3Å; Q26-I28 HydrophobicContact CB-CG1 4.26Å; I28-I30 WeakPolarHBondContact CG2-O 3.41Å; I28-V31 HydrophobicContact CG2-CG1 3.79Å; I28-I52 WeakPolarHBondContact O-CG1 3.34Å; I28-P77 WeakPolarHBondContact CD1-O 3.37Å; I28-V79 HydrophobicContact CD1-CG2 3.9Å; I28-V79 HydrophobicContact CG1-CG2 3.93Å; I28-V79 HydrophobicContact CG2-CG2 4.11Å; I28-F155 HydrophobicContact CD1-CE1 4.07Å; I28-F155 HydrophobicContact CD1-CZ 4.42Å; I28-F155 HydrophobicContact CG1-CE1 4.15Å; I28-F155 HydrophobicContact CG1-CZ 4.13Å | ||
| 29 | K | 97.8 | Very high | 97.1 | Very high | 108 Ų | 108 | 25.4 Ų | 25.4 | 47% | 0.47 | 15% | 0.151 | S | C | . | . | trans | -111.9 | -22.6 | 179.2 | -59.8 | -55 | 178 | -170.7 | 0 | 113.3 | G27 I52 R53 | G27-K29 PolarHBondContact O-N 2.93Å; K29-I52 WeakPolarHBondContact O-CA 3.25Å; K29-R53 PolarHBondContact O-N 3Å | ||
| 30 | I | 98.4 | Very high | 97.1 | Very high | 34 Ų | 34 | 29.7 Ų | 29.7 | 17% | 0.174 | 17% | 0.173 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134 | 130.5 | -178.1 | -56.3 | -179.2 | 0 | 0 | 0 | 108 | I28 R53 I55 M70 L431 | I28-I30 WeakPolarHBondContact CG2-O 3.41Å; I30-R53 WeakPolarHBondContact CA-O 3.39Å; I30-I55 HydrophobicContact CG2-CG1 3.56Å; I30-M70 HydrophobicContact CB-CE 4.39Å; I30-M70 HydrophobicContact CB-SD 3.82Å; I30-M70 HydrophobicContact CD1-SD 4.27Å; I30-M70 HydrophobicContact CG2-CE 4.02Å; I30-M70 HydrophobicContact CG2-SD 3.74Å; I30-L431 HydrophobicContact CD1-CB 3.98Å; I30-L431 HydrophobicContact CD1-CD2 4.46Å |
| 31 | V | 98.6 | Very high | 97.1 | Very high | 0 Ų | 0 | 30.3 Ų | 30.3 | 0% | 0 | 18% | 0.177 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.3 | 153.7 | 165.8 | -54.8 | 0 | 0 | 0 | 0 | 109.1 | L23 I28 L46 I52 R53 H54 I55 V79 M81 | L23-V31 HydrophobicContact CD1-CG1 4.4Å; I28-V31 HydrophobicContact CG2-CG1 3.79Å; V31-L46 HydrophobicContact CG2-CD2 3.46Å; V31-L46 VanDerWaalsContact CG2-CD2 3.46Å; V31-I52 HydrophobicContact CB-CG2 4.36Å; V31-I52 HydrophobicContact CG1-CG2 3.72Å; V31-I52 HydrophobicContact CG2-CG2 3.91Å; V31-R53 PolarHBondContact N-O 3.02Å; V31-H54 HydrophobicContact CG2-CB 4.26Å; V31-I55 PolarHBondContact O-N 3.36Å; V31-V79 HydrophobicContact CG1-CB 4.04Å; V31-V79 HydrophobicContact CG1-CG1 4.09Å; V31-M81 HydrophobicContact CB-CE 4.38Å; V31-M81 HydrophobicContact CG1-CE 4.08Å; V31-M81 HydrophobicContact CG2-CE 4.5Å; V31-M81 HydrophobicContact CG2-SD 4.3Å |
| 32 | T | 98.8 | Very high | 97.3 | Very high | 0 Ų | 0 | 28.4 Ų | 28.4 | 0% | 0 | 17% | 0.169 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.2 | 147.1 | 179.8 | 57.4 | 0 | 0 | 0 | 0 | 109.4 | I55 A63 I66 M70 V79 C80 M81 | T32-I55 WeakPolarHBondContact CA-O 3.27Å; T32-I55 HydrophobicContact CG2-CB 4.12Å; T32-A63 PolarHBondContact OG1-O 3.02Å; T32-I66 HydrophobicContact CG2-CB 3.9Å; T32-I66 HydrophobicContact CG2-CG2 3.41Å; T32-I66 VanDerWaalsContact CG2-CG2 3.41Å; T32-M70 HydrophobicContact CG2-CE 3.76Å; T32-V79 PolarHBondContact N-O 2.89Å; T32-V79 PolarHBondContact OG1-O 3.29Å; T32-C80 CarbonylContact O-C 3.59Å; T32-C80 VanDerWaalsContact O-CA 3.28Å; T32-C80 WeakPolarHBondContact O-CA 3.24Å; T32-M81 PolarHBondContact O-N 2.83Å |
| 33 | G | 98.3 | Very high | 97.4 | Very high | 0 Ų | 0 | 29.9 Ų | 29.9 | 0% | 0 | 18% | 0.175 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 166.5 | -175.9 | 176.9 | 0 | 0 | 0 | 0 | 0 | 114.5 | H54 I55 A57 M81 | G33-H54 PolarHBondContact O-CE1 3.12Å; G33-H54 VanDerWaalsContact O-CE1 3.29Å; G33-H54 PolarHBondContact O-NE2 3.34Å; G33-I55 PolarHBondContact N-O 3.41Å; G33-I55 VanDerWaalsContact N-O 3.17Å; G33-A57 PolarHBondContact O-N 3Å; G33-M81 WeakPolarHBondContact CA-O 3.46Å |
| 34 | I | 98 | Very high | 97.4 | Very high | 33 Ų | 33 | 35.3 Ų | 35.3 | 17% | 0.169 | 20% | 0.204 | C | C | . | . | trans | -128.6 | 129.7 | 172.6 | -57.7 | -175.5 | 0 | 0 | 0 | 108.6 | Y43 L56 A57 E60 M81 | I34-Y43 PolarHBondContact N-OH 3.18Å; I34-Y43 VanDerWaalsContact N-OH 3.15Å; I34-Y43 PolarHBondContact O-OH 2.67Å; I34-L56 HydrophobicContact CG1-CD1 4.46Å; I34-A57 HydrophobicContact CG1-CB 4.49Å; I34-E60 HydrophobicContact CB-CG 4.15Å; I34-E60 HydrophobicContact CD1-CG 4.17Å; I34-E60 HydrophobicContact CG1-CG 4.24Å; I34-M81 PolarHBondContact N-O 3.11Å | ||
| 35 | P | 97.2 | Very high | 97.5 | Very high | 60 Ų | 60 | 34.3 Ų | 34.3 | 39% | 0.39 | 20% | 0.201 | S | C | . | . | trans | -70.2 | 150.6 | 177.4 | 27.2 | -33 | 0 | 0 | 0 | 111.8 | Y43 | P35-Y43 HydrophobicContact CB-CD1 3.71Å; P35-Y43 HydrophobicContact CB-CD2 4.18Å; P35-Y43 HydrophobicContact CB-CE1 3.66Å; P35-Y43 HydrophobicContact CB-CE2 4.16Å; P35-Y43 HydrophobicContact CB-CG 3.96Å; P35-Y43 HydrophobicContact CG-CD1 4.43Å; P35-Y43 HydrophobicContact CG-CE1 4.13Å | ||
| 36 | G | 95.8 | Very high | 97.6 | Very high | 19 Ų | 19 | 31.7 Ų | 31.7 | 20% | 0.196 | 19% | 0.189 | C | C | . | . | trans | -163.6 | 170.7 | 170.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | S38 I39 L40 C83 | G36-S38 VanDerWaalsContact C-N 3.29Å; G36-S38 PolarHBondContact O-N 3.23Å; G36-I39 WeakPolarHBondContact O-CG2 3.22Å; G36-I39 PolarHBondContact O-N 2.72Å; G36-I39 VanDerWaalsContact O-N 3.09Å; G36-L40 WeakPolarHBondContact O-CG 3.44Å; G36-L40 PolarHBondContact O-N 3.49Å; G36-L40 VanDerWaalsContact O-N 3.13Å; G36-C83 VanDerWaalsContact CA-SG 3.51Å | ||
| 37 | G | 95.6 | Very high | 97.7 | Very high | 35 Ų | 35 | 34 Ų | 34 | 36% | 0.361 | 21% | 0.208 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -55.4 | -31.9 | -162.8 | 0 | 0 | 0 | 0 | 0 | 116.9 | C83 K172 | G37-C83 PolarHBondContact N-SG 3.03Å; G37-K172 PolarHBondContact O-NZ 3.13Å |
| 38 | S | 97 | Very high | 97.8 | Very high | 8 Ų | 8 | 39.2 Ų | 39.2 | 6% | 0.056 | 22% | 0.222 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -84.7 | -23.8 | -178.7 | 72.4 | 0 | 0 | 0 | 0 | 114 | G36 C83 S84 G110 Q175 | G36-S38 VanDerWaalsContact C-N 3.29Å; G36-S38 PolarHBondContact O-N 3.23Å; S38-C83 PolarHBondContact N-SG 3.08Å; S38-C83 VanDerWaalsContact N-SG 3.37Å; S38-C83 PolarHBondContact OG-SG 3.49Å; S38-S84 VanDerWaalsContact OG-CB 3.28Å; S38-S84 WeakPolarHBondContact OG-CB 3.36Å; S38-S84 PolarHBondContact OG-N 3.29Å; S38-S84 PolarHBondContact OG-OG 3.19Å; S38-G110 VanDerWaalsContact OG-C 3.27Å; S38-G110 PolarHBondContact OG-O 3Å; S38-Q175 PolarHBondContact O-NE2 2.81Å; S38-Q175 PolarHBondContact O-OE1 3.38Å |
| 39 | I | 98.1 | Very high | 97.8 | Very high | 0 Ų | 0 | 39.3 Ų | 39.3 | 0% | 0 | 22% | 0.224 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -103.1 | -1.8 | -179.1 | -164.4 | 58.4 | 0 | 0 | 0 | 112.7 | G36 P41 V42 Y43 C83 | G36-I39 WeakPolarHBondContact O-CG2 3.22Å; G36-I39 PolarHBondContact O-N 2.72Å; G36-I39 VanDerWaalsContact O-N 3.09Å; I39-P41 VanDerWaalsContact C-N 3.32Å; I39-V42 HydrophobicContact CD1-CB 3.74Å; I39-V42 HydrophobicContact CD1-CG1 4.31Å; I39-V42 HydrophobicContact CD1-CG2 3.66Å; I39-V42 HydrophobicContact CG1-CB 4.14Å; I39-V42 PolarHBondContact O-N 3.42Å; I39-Y43 HydrophobicContact CB-CD2 4.47Å; I39-Y43 HydrophobicContact CG1-CD2 4.1Å; I39-Y43 HydrophobicContact CG1-CE2 4.13Å; I39-Y43 HydrophobicContact CG2-CD2 3.8Å; I39-Y43 HydrophobicContact CG2-CE2 3.74Å; I39-Y43 PolarHBondContact O-N 2.84Å; I39-C83 HydrophobicContact CG2-CB 4.04Å |
| 40 | L | 98.1 | Very high | 97.7 | Very high | 90 Ų | 90 | 41 Ų | 41 | 47% | 0.471 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -49.7 | -40.5 | 179.9 | -79 | -179.5 | 0 | 0 | 0 | 114.8 | G36 V42 Y43 D44 | G36-L40 WeakPolarHBondContact O-CG 3.44Å; G36-L40 PolarHBondContact O-N 3.49Å; G36-L40 VanDerWaalsContact O-N 3.13Å; L40-V42 VanDerWaalsContact C-N 3.29Å; L40-V42 PolarHBondContact O-N 3.4Å; L40-Y43 PolarHBondContact O-N 3.3Å; L40-Y43 VanDerWaalsContact O-N 3.12Å; L40-D44 WeakPolarHBondContact O-CB 3.27Å; L40-D44 PolarHBondContact O-N 2.9Å |
| 41 | P | 98.4 | Very high | 97.7 | Very high | 21 Ų | 21 | 43.5 Ų | 43.5 | 14% | 0.136 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -55.8 | -42.2 | 175.8 | -26.5 | 35.2 | 0 | 0 | 0 | 113.1 | A16 I39 D44 A45 K172 Q175 T176 | A16-P41 VanDerWaalsContact CB-C 3.42Å; A16-P41 HydrophobicContact CB-CB 3.93Å; A16-P41 VanDerWaalsContact CB-O 3.27Å; A16-P41 WeakPolarHBondContact CB-O 3.5Å; I39-P41 VanDerWaalsContact C-N 3.32Å; P41-D44 PolarHBondContact O-N 3.33Å; P41-A45 PolarHBondContact O-N 3.06Å; P41-A45 VanDerWaalsContact O-N 3.08Å; P41-K172 HydrophobicContact CG-CG 4.2Å; P41-Q175 HydrophobicContact CB-CB 3.92Å; P41-Q175 HydrophobicContact CG-CB 4.25Å; P41-T176 HydrophobicContact CB-CG2 4.03Å; P41-T176 HydrophobicContact CG-CG2 3.71Å |
| 42 | V | 98.5 | Very high | 97.7 | Very high | 0 Ų | 0 | 44 Ų | 44 | 0% | 0 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -66.3 | -41 | 175.8 | 175.7 | 0 | 0 | 0 | 0 | 111.1 | A16 I19 I39 L40 D44 A45 L46 M81 Q175 | A16-V42 HydrophobicContact CB-CG2 4.07Å; I19-V42 HydrophobicContact CD1-CG2 3.75Å; I19-V42 HydrophobicContact CG2-CG1 4.34Å; I39-V42 HydrophobicContact CD1-CB 3.74Å; I39-V42 HydrophobicContact CD1-CG1 4.31Å; I39-V42 HydrophobicContact CD1-CG2 3.66Å; I39-V42 HydrophobicContact CG1-CB 4.14Å; I39-V42 PolarHBondContact O-N 3.42Å; L40-V42 VanDerWaalsContact C-N 3.29Å; L40-V42 PolarHBondContact O-N 3.4Å; V42-D44 VanDerWaalsContact C-N 3.35Å; V42-D44 PolarHBondContact O-N 3.35Å; V42-A45 PolarHBondContact O-N 2.84Å; V42-L46 HydrophobicContact CG1-CD1 3.62Å; V42-L46 WeakPolarHBondContact O-CB 3.4Å; V42-L46 WeakPolarHBondContact O-CD1 3.47Å; V42-L46 PolarHBondContact O-N 2.66Å; V42-M81 HydrophobicContact CG1-CE 4.44Å; V42-M81 HydrophobicContact CG1-SD 4.23Å; V42-Q175 HydrophobicContact CG2-CG 4.15Å |
| 43 | Y | 98.3 | Very high | 97.6 | Very high | 31 Ų | 31 | 50.1 Ų | 50.1 | 12% | 0.122 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -65.1 | -35.9 | 175.9 | -88.1 | -99 | 0 | 0 | 0 | 113.2 | I34 P35 I39 L40 L46 S47 H54 | I34-Y43 PolarHBondContact N-OH 3.18Å; I34-Y43 VanDerWaalsContact N-OH 3.15Å; I34-Y43 PolarHBondContact O-OH 2.67Å; P35-Y43 HydrophobicContact CB-CD1 3.71Å; P35-Y43 HydrophobicContact CB-CD2 4.18Å; P35-Y43 HydrophobicContact CB-CE1 3.66Å; P35-Y43 HydrophobicContact CB-CE2 4.16Å; P35-Y43 HydrophobicContact CB-CG 3.96Å; P35-Y43 HydrophobicContact CG-CD1 4.43Å; P35-Y43 HydrophobicContact CG-CE1 4.13Å; I39-Y43 HydrophobicContact CB-CD2 4.47Å; I39-Y43 HydrophobicContact CG1-CD2 4.1Å; I39-Y43 HydrophobicContact CG1-CE2 4.13Å; I39-Y43 HydrophobicContact CG2-CD2 3.8Å; I39-Y43 HydrophobicContact CG2-CE2 3.74Å; I39-Y43 PolarHBondContact O-N 2.84Å; L40-Y43 PolarHBondContact O-N 3.3Å; L40-Y43 VanDerWaalsContact O-N 3.12Å; Y43-L46 PolarHBondContact O-N 3.05Å; Y43-S47 PolarHBondContact O-N 3.01Å; Y43-H54 AromaticContact CE1-CD2 3.63Å; Y43-H54 AromaticContact CE1-CE1 3.75Å; Y43-H54 AromaticContact CE1-NE2 3.24Å; Y43-H54 WeakPolarHBondContact CE1-NE2 3.33Å; Y43-H54 AromaticContact CZ-NE2 3.44Å; Y43-H54 PolarHBondContact OH-NE2 3.06Å |
| 44 | D | 98.3 | Very high | 97.6 | Very high | 114 Ų | 114 | 52.6 Ų | 52.6 | 61% | 0.61 | 29% | 0.292 | S | S | * | . | H | α-helix | trans | -62.6 | -47.7 | 173.5 | -173.3 | 59.8 | 0 | 0 | 0 | 110.6 | L40 P41 V42 L46 S47 | L40-D44 WeakPolarHBondContact O-CB 3.27Å; L40-D44 PolarHBondContact O-N 2.9Å; P41-D44 PolarHBondContact O-N 3.33Å; V42-D44 VanDerWaalsContact C-N 3.35Å; V42-D44 PolarHBondContact O-N 3.35Å; D44-L46 VanDerWaalsContact C-N 3.34Å; D44-L46 PolarHBondContact O-N 2.97Å; D44-S47 WeakPolarHBondContact O-CB 3.35Å; D44-S47 PolarHBondContact O-N 3.46Å; D44-S47 PolarHBondContact O-OG 3.26Å |
| 45 | A | 98.2 | Very high | 97.7 | Very high | 13 Ų | 13 | 51.1 Ų | 51.1 | 11% | 0.107 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -61.1 | -40.3 | 173.1 | 0 | 0 | 0 | 0 | 0 | 112.6 | A16 E17 V20 P41 V42 S47 Q48 | A16-A45 HydrophobicContact CB-CB 4.12Å; E17-A45 HydrophobicContact CG-CB 4.33Å; V20-A45 HydrophobicContact CB-CB 4.43Å; V20-A45 HydrophobicContact CG2-CB 3.71Å; P41-A45 PolarHBondContact O-N 3.06Å; P41-A45 VanDerWaalsContact O-N 3.08Å; V42-A45 PolarHBondContact O-N 2.84Å; A45-S47 VanDerWaalsContact C-N 3.27Å; A45-S47 PolarHBondContact O-N 3.21Å; A45-Q48 PolarHBondContact O-N 2.97Å; A45-Q48 VanDerWaalsContact O-N 3.16Å |
| 46 | L | 97.8 | Very high | 97.7 | Very high | 12 Ų | 12 | 52 Ų | 52 | 6% | 0.063 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -61.9 | -35.7 | 176.9 | -108 | 103.4 | 0 | 0 | 0 | 112.1 | V20 V31 V42 Y43 D44 Q48 S49 I52 H54 M81 | V20-L46 HydrophobicContact CG2-CB 4.44Å; V20-L46 HydrophobicContact CG2-CD1 3.54Å; V20-L46 HydrophobicContact CG2-CG 3.98Å; V31-L46 HydrophobicContact CG2-CD2 3.46Å; V31-L46 VanDerWaalsContact CG2-CD2 3.46Å; V42-L46 HydrophobicContact CG1-CD1 3.62Å; V42-L46 WeakPolarHBondContact O-CB 3.4Å; V42-L46 WeakPolarHBondContact O-CD1 3.47Å; V42-L46 PolarHBondContact O-N 2.66Å; Y43-L46 PolarHBondContact O-N 3.05Å; D44-L46 VanDerWaalsContact C-N 3.34Å; D44-L46 PolarHBondContact O-N 2.97Å; L46-Q48 PolarHBondContact O-N 3.4Å; L46-Q48 VanDerWaalsContact O-N 3.14Å; L46-S49 WeakPolarHBondContact O-CB 3.37Å; L46-S49 PolarHBondContact O-N 2.68Å; L46-I52 HydrophobicContact CD2-CG2 4.11Å; L46-H54 HydrophobicContact CD2-CB 4.26Å; L46-M81 HydrophobicContact CD1-CE 4Å; L46-M81 HydrophobicContact CD1-SD 3.94Å |
| 47 | S | 97.2 | Very high | 97.9 | Very high | 76 Ų | 76 | 51.2 Ų | 51.2 | 53% | 0.531 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -61.2 | -21.1 | 178.4 | 80.4 | 0 | 0 | 0 | 0 | 113.4 | Y43 D44 A45 | Y43-S47 PolarHBondContact O-N 3.01Å; D44-S47 WeakPolarHBondContact O-CB 3.35Å; D44-S47 PolarHBondContact O-N 3.46Å; D44-S47 PolarHBondContact O-OG 3.26Å; A45-S47 VanDerWaalsContact C-N 3.27Å; A45-S47 PolarHBondContact O-N 3.21Å |
| 48 | Q | 97 | Very high | 98 | Very high | 152 Ų | 152 | 52.9 Ų | 52.9 | 71% | 0.71 | 27% | 0.272 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -93 | -10.9 | 177.5 | -54.1 | -56 | -57.7 | 0 | 0 | 112.8 | A45 L46 | A45-Q48 PolarHBondContact O-N 2.97Å; A45-Q48 VanDerWaalsContact O-N 3.16Å; L46-Q48 PolarHBondContact O-N 3.4Å; L46-Q48 VanDerWaalsContact O-N 3.14Å |
| 49 | S | 97.4 | Very high | 98.1 | Very high | 19 Ų | 19 | 55.5 Ų | 55.5 | 13% | 0.133 | 28% | 0.283 | C | S | . | . | trans | -71.4 | 134.1 | 176.8 | -178.1 | 0 | 0 | 0 | 0 | 110.6 | E24 L46 Q51 I52 | E24-S49 WeakPolarHBondContact OE1-CB 3.27Å; E24-S49 PolarHBondContact OE1-OG 3.37Å; L46-S49 WeakPolarHBondContact O-CB 3.37Å; L46-S49 PolarHBondContact O-N 2.68Å; S49-Q51 PolarHBondContact OG-N 2.94Å; S49-I52 PolarHBondContact OG-N 3.3Å | ||
| 50 | T | 97.2 | Very high | 98.1 | Very high | 143 Ų | 143 | 56.5 Ų | 56.5 | 88% | 0.877 | 29% | 0.288 | S | S | * | . | S | Bend | trans | -101.1 | -3.7 | 170.2 | 55 | 0 | 0 | 0 | 0 | 112.4 | ||
| 51 | Q | 97.9 | Very high | 98.1 | Very high | 87 Ų | 87 | 53.8 Ų | 53.8 | 41% | 0.407 | 27% | 0.273 | S | S | . | . | S | Bend | trans | -106.5 | -27.7 | -175 | -60.5 | -167.3 | 72.2 | 0 | 0 | 113.2 | E24 S49 | E24-Q51 VanDerWaalsContact CD-NE2 3.27Å; E24-Q51 HydrophobicContact CG-CB 4Å; E24-Q51 PolarHBondContact OE2-NE2 3.32Å; S49-Q51 PolarHBondContact OG-N 2.94Å |
| 52 | I | 98.4 | Very high | 98.2 | Very high | 12 Ų | 12 | 52.8 Ų | 52.8 | 6% | 0.062 | 27% | 0.266 | C | S | . | . | trans | -106.1 | 121.8 | -177.8 | -62.6 | 176 | 0 | 0 | 0 | 109.3 | V20 L23 E24 I28 K29 V31 L46 S49 | V20-I52 HydrophobicContact CG1-CD1 4.38Å; L23-I52 HydrophobicContact CB-CD1 3.69Å; E24-I52 HydrophobicContact CG-CD1 3.71Å; E24-I52 HydrophobicContact CG-CG1 3.92Å; I28-I52 WeakPolarHBondContact O-CG1 3.34Å; K29-I52 WeakPolarHBondContact O-CA 3.25Å; V31-I52 HydrophobicContact CB-CG2 4.36Å; V31-I52 HydrophobicContact CG1-CG2 3.72Å; V31-I52 HydrophobicContact CG2-CG2 3.91Å; L46-I52 HydrophobicContact CD2-CG2 4.11Å; S49-I52 PolarHBondContact OG-N 3.3Å | ||
| 53 | R | 97.9 | Very high | 98.2 | Very high | 127 Ų | 127 | 52.8 Ų | 52.8 | 48% | 0.479 | 27% | 0.266 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.8 | 126.8 | 167.6 | -179.2 | 177.4 | 173.8 | -175.3 | -1.2 | 109.5 | K29 I30 V31 I55 N460 | K29-R53 PolarHBondContact O-N 3Å; I30-R53 WeakPolarHBondContact CA-O 3.39Å; V31-R53 PolarHBondContact N-O 3.02Å; R53-I55 HydrophobicContact CG-CD1 4.17Å; R53-N460 PolarHBondContact NH2-OD1 3.3Å |
| 54 | H | 98.3 | Very high | 98.2 | Very high | 53 Ų | 53 | 51.3 Ų | 51.3 | 25% | 0.245 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.8 | 135.8 | 168 | -178.2 | -86.7 | 0 | 0 | 0 | 110.4 | V31 G33 Y43 L46 L56 | V31-H54 HydrophobicContact CG2-CB 4.26Å; G33-H54 PolarHBondContact O-CE1 3.12Å; G33-H54 VanDerWaalsContact O-CE1 3.29Å; G33-H54 PolarHBondContact O-NE2 3.34Å; Y43-H54 AromaticContact CE1-CD2 3.63Å; Y43-H54 AromaticContact CE1-CE1 3.75Å; Y43-H54 AromaticContact CE1-NE2 3.24Å; Y43-H54 WeakPolarHBondContact CE1-NE2 3.33Å; Y43-H54 AromaticContact CZ-NE2 3.44Å; Y43-H54 PolarHBondContact OH-NE2 3.06Å; L46-H54 HydrophobicContact CD2-CB 4.26Å; H54-L56 PolarHBondContact ND1-N 3.42Å |
| 55 | I | 98.6 | Very high | 98.2 | Very high | 1 Ų | 1 | 45.9 Ų | 45.9 | 1% | 0.005 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.2 | 110.6 | 170.7 | -57 | -64.7 | 0 | 0 | 0 | 108 | I30 V31 T32 G33 R53 A57 L431 T456 N460 | I30-I55 HydrophobicContact CG2-CG1 3.56Å; V31-I55 PolarHBondContact O-N 3.36Å; T32-I55 WeakPolarHBondContact CA-O 3.27Å; T32-I55 HydrophobicContact CG2-CB 4.12Å; G33-I55 PolarHBondContact N-O 3.41Å; G33-I55 VanDerWaalsContact N-O 3.17Å; R53-I55 HydrophobicContact CG-CD1 4.17Å; I55-A57 PolarHBondContact O-N 3.04Å; I55-L431 HydrophobicContact CD1-CD1 4.28Å; I55-L431 HydrophobicContact CD1-CD2 3.7Å; I55-L431 HydrophobicContact CG1-CD1 3.89Å; I55-L431 HydrophobicContact CG1-CD2 4.17Å; I55-L431 HydrophobicContact CG2-CD1 4.19Å; I55-T456 HydrophobicContact CG2-CG2 3.9Å; I55-N460 WeakPolarHBondContact CD1-OD1 3.4Å |
| 56 | L | 98.6 | Very high | 98.3 | Very high | 78 Ų | 78 | 45.2 Ų | 45.2 | 41% | 0.408 | 23% | 0.227 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -74.2 | 110.2 | 174.7 | -177.1 | 63.8 | 0 | 0 | 0 | 109.6 | I34 H54 R58 | I34-L56 HydrophobicContact CG1-CD1 4.46Å; H54-L56 PolarHBondContact ND1-N 3.42Å; L56-R58 PolarHBondContact O-NH1 3.32Å |
| 57 | A | 98.6 | Very high | 98.3 | Very high | 4 Ų | 4 | 44.7 Ų | 44.7 | 3% | 0.033 | 22% | 0.224 | C | C | . | . | trans | -80.8 | 169.2 | 169.5 | 0 | 0 | 0 | 0 | 0 | 110.5 | G33 I34 I55 A63 I66 | G33-A57 PolarHBondContact O-N 3Å; I34-A57 HydrophobicContact CG1-CB 4.49Å; I55-A57 PolarHBondContact O-N 3.04Å; A57-A63 HydrophobicContact CB-CB 3.75Å; A57-I66 HydrophobicContact CB-CD1 4.23Å | ||
| 58 | R | 98.3 | Very high | 98.4 | Very high | 70 Ų | 70 | 41 Ų | 41 | 26% | 0.264 | 20% | 0.198 | S | C | . | . | S | Bend | trans | -98 | -16.3 | 176.2 | -85.1 | 70.6 | -166.2 | 159.7 | 14.9 | 112.1 | L56 Q452 E453 A455 T456 E459 | L56-R58 PolarHBondContact O-NH1 3.32Å; R58-Q452 HydrophobicContact CB-CB 3.87Å; R58-Q452 HydrophobicContact CB-CG 3.37Å; R58-Q452 HydrophobicContact CG-CB 4.41Å; R58-Q452 HydrophobicContact CG-CG 4.4Å; R58-E453 WeakPolarHBondContact CA-OE1 3.5Å; R58-E453 WeakPolarHBondContact CB-OE1 3.24Å; R58-E453 PolarHBondContact N-OE1 2.79Å; R58-E453 PolarHBondContact N-OE2 2.81Å; R58-A455 HydrophobicContact CG-CB 4.33Å; R58-T456 WeakPolarHBondContact CD-OG1 3.37Å; R58-T456 PolarHBondContact NH1-OG1 3.04Å; R58-E459 IonicContact CZ-OE1 3.81Å; R58-E459 IonicContact CZ-OE2 3.43Å; R58-E459 IonicContact NH1-OE2 3Å; R58-E459 IonicContact NH2-OE1 2.9Å; R58-E459 PolarHBondContact NH2-OE1 3.28Å; R58-E459 IonicContact NH2-OE2 3.97Å; R58-E459 PolarHBondContact NH2-OE2 3.29Å |
| 59 | H | 98.7 | Very high | 98.5 | Very high | 62 Ų | 62 | 33.8 Ų | 33.8 | 29% | 0.287 | 16% | 0.164 | S | C | . | . | S | Bend | trans | -143.5 | 145.7 | 168.6 | -162.2 | -93.7 | 0 | 0 | 0 | 110.6 | Q61 G62 A63 N90 E453 | H59-Q61 VanDerWaalsContact ND1-CB 3.33Å; H59-Q61 WeakPolarHBondContact ND1-CB 3.45Å; H59-Q61 PolarHBondContact ND1-N 2.94Å; H59-Q61 PolarHBondContact O-N 3.25Å; H59-G62 WeakPolarHBondContact O-CA 3.48Å; H59-G62 PolarHBondContact O-N 3.46Å; H59-A63 PolarHBondContact O-N 3.19Å; H59-N90 VanDerWaalsContact CE1-CG 3.4Å; H59-N90 PolarHBondContact CE1-ND2 3.03Å; H59-N90 PolarHBondContact NE2-ND2 2.64Å; H59-E453 PolarHBondContact N-OE1 2.92Å |
| 60 | E | 98.7 | Very high | 98.5 | Very high | 22 Ų | 22 | 33.4 Ų | 33.4 | 10% | 0.103 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -64.1 | -31.9 | -178.5 | -62.2 | 85.5 | 167.3 | 0 | 0 | 112.1 | I34 G62 A63 G64 A82 G87 N90 L91 | I34-E60 HydrophobicContact CB-CG 4.15Å; I34-E60 HydrophobicContact CD1-CG 4.17Å; I34-E60 HydrophobicContact CG1-CG 4.24Å; E60-G62 VanDerWaalsContact C-N 3.26Å; E60-G62 PolarHBondContact O-N 3.29Å; E60-A63 WeakPolarHBondContact O-CB 3.43Å; E60-A63 PolarHBondContact O-N 3.16Å; E60-A63 VanDerWaalsContact O-N 3.1Å; E60-G64 PolarHBondContact O-N 2.97Å; E60-A82 HydrophobicContact CB-CB 4.41Å; E60-A82 HydrophobicContact CG-CB 3.83Å; E60-G87 WeakPolarHBondContact OE1-CA 3.22Å; E60-N90 HydrophobicContact CB-CB 3.8Å; E60-N90 HydrophobicContact CG-CB 4.44Å; E60-N90 PolarHBondContact OE2-ND2 2.86Å; E60-L91 HydrophobicContact CB-CD2 4.1Å; E60-L91 HydrophobicContact CB-CG 3.98Å; E60-L91 WeakPolarHBondContact O-CD2 3.43Å |
| 61 | Q | 98.8 | Very high | 98.6 | Very high | 32 Ų | 32 | 26.7 Ų | 26.7 | 15% | 0.15 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -55.3 | -44.7 | 169.5 | -166.1 | -167.7 | 47.3 | 0 | 0 | 111.4 | H59 G64 F65 N90 N450 | H59-Q61 VanDerWaalsContact ND1-CB 3.33Å; H59-Q61 WeakPolarHBondContact ND1-CB 3.45Å; H59-Q61 PolarHBondContact ND1-N 2.94Å; H59-Q61 PolarHBondContact O-N 3.25Å; Q61-G64 PolarHBondContact O-N 3.38Å; Q61-F65 HydrophobicContact CG-CD2 4.03Å; Q61-F65 HydrophobicContact CG-CE2 3.49Å; Q61-F65 VanDerWaalsContact CG-CE2 3.49Å; Q61-F65 HydrophobicContact CG-CZ 4.03Å; Q61-F65 WeakPolarHBondContact O-CD2 3.22Å; Q61-F65 PolarHBondContact O-N 3.31Å; Q61-N90 WeakPolarHBondContact CA-O 3.38Å; Q61-N90 WeakPolarHBondContact CB-O 3.32Å; Q61-N90 PolarHBondContact N-O 3.29Å; Q61-N450 PolarHBondContact OE1-ND2 3.32Å; Q61-N450 PolarHBondContact OE1-OD1 3.32Å |
| 62 | G | 98.8 | Very high | 98.6 | Very high | 0 Ų | 0 | 23.3 Ų | 23.3 | 0% | 0 | 10% | 0.103 | C | C | . | . | H | α-helix | trans | -59.8 | -45.6 | 173.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | H59 E60 G64 F65 I66 | H59-G62 WeakPolarHBondContact O-CA 3.48Å; H59-G62 PolarHBondContact O-N 3.46Å; E60-G62 VanDerWaalsContact C-N 3.26Å; E60-G62 PolarHBondContact O-N 3.29Å; G62-G64 PolarHBondContact O-N 2.8Å; G62-F65 PolarHBondContact O-N 3.09Å; G62-I66 WeakPolarHBondContact O-CG1 3.4Å; G62-I66 PolarHBondContact O-N 3.4Å |
| 63 | A | 98.8 | Very high | 98.5 | Very high | 0 Ų | 0 | 23.3 Ų | 23.3 | 0% | 0 | 10% | 0.104 | C | C | . | . | H | α-helix | trans | -56.7 | -47.4 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | T32 A57 H59 E60 F65 I66 A67 | T32-A63 PolarHBondContact OG1-O 3.02Å; A57-A63 HydrophobicContact CB-CB 3.75Å; H59-A63 PolarHBondContact O-N 3.19Å; E60-A63 WeakPolarHBondContact O-CB 3.43Å; E60-A63 PolarHBondContact O-N 3.16Å; E60-A63 VanDerWaalsContact O-N 3.1Å; A63-F65 VanDerWaalsContact C-N 3.35Å; A63-F65 PolarHBondContact O-N 2.94Å; A63-I66 PolarHBondContact O-N 3.1Å; A63-A67 PolarHBondContact O-N 3.47Å |
| 64 | G | 98.8 | Very high | 98.2 | Very high | 0 Ų | 0 | 20.8 Ų | 20.8 | 0% | 0 | 10% | 0.1 | C | C | . | . | H | α-helix | trans | -58 | -44 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.9 | E60 Q61 G62 A67 Q68 | E60-G64 PolarHBondContact O-N 2.97Å; Q61-G64 PolarHBondContact O-N 3.38Å; G62-G64 PolarHBondContact O-N 2.8Å; G64-A67 PolarHBondContact O-N 2.91Å; G64-Q68 WeakPolarHBondContact O-CG 3.35Å; G64-Q68 PolarHBondContact O-N 3.49Å |
| 65 | F | 98.9 | Very high | 97.9 | Very high | 0 Ų | 0 | 19.8 Ų | 19.8 | 0% | 0 | 10% | 0.103 | C | C | . | . | H | α-helix | trans | -72.7 | -32.9 | 177.3 | -66.6 | -39.1 | 0 | 0 | 0 | 114.1 | Q61 G62 A63 A67 Q68 G69 T93 A94 D97 T418 F421 P424 | Q61-F65 HydrophobicContact CG-CD2 4.03Å; Q61-F65 HydrophobicContact CG-CE2 3.49Å; Q61-F65 VanDerWaalsContact CG-CE2 3.49Å; Q61-F65 HydrophobicContact CG-CZ 4.03Å; Q61-F65 WeakPolarHBondContact O-CD2 3.22Å; Q61-F65 PolarHBondContact O-N 3.31Å; G62-F65 PolarHBondContact O-N 3.09Å; A63-F65 VanDerWaalsContact C-N 3.35Å; A63-F65 PolarHBondContact O-N 2.94Å; F65-A67 VanDerWaalsContact C-N 3.33Å; F65-Q68 WeakPolarHBondContact O-CB 3.37Å; F65-Q68 PolarHBondContact O-N 2.99Å; F65-G69 PolarHBondContact O-N 3.08Å; F65-T93 HydrophobicContact CZ-CG2 4.37Å; F65-A94 HydrophobicContact CD1-CB 3.84Å; F65-A94 VanDerWaalsContact CE1-CA 3.49Å; F65-A94 HydrophobicContact CE1-CB 3.75Å; F65-A94 HydrophobicContact CG-CB 4.35Å; F65-A94 HydrophobicContact CZ-CB 4.19Å; F65-D97 HydrophobicContact CE1-CB 3.96Å; F65-T418 HydrophobicContact CE2-CG2 4.29Å; F65-T418 HydrophobicContact CZ-CG2 3.64Å; F65-F421 AromaticContact CD1-CD2 3.61Å; F65-F421 HydrophobicContact CD1-CD2 3.61Å; F65-F421 HydrophobicContact CD1-CE2 4.18Å; F65-F421 AromaticContact CE1-CD2 3.91Å; F65-F421 HydrophobicContact CE1-CD2 3.91Å; F65-F421 HydrophobicContact CG-CD2 4.13Å; F65-P424 HydrophobicContact CB-CB 3.42Å; F65-P424 VanDerWaalsContact CB-CB 3.42Å; F65-P424 HydrophobicContact CB-CG 4.24Å; F65-P424 HydrophobicContact CD2-CB 4.38Å; F65-P424 HydrophobicContact CD2-CG 4.32Å; F65-P424 HydrophobicContact CG-CB 4.41Å |
| 66 | I | 98.9 | Very high | 97.7 | Very high | 0 Ų | 0 | 26.3 Ų | 26.3 | 0% | 0 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -61 | -45.7 | 170.8 | -66 | 163.2 | 0 | 0 | 0 | 109.6 | T32 A57 G62 A63 Q68 G69 M70 P424 I427 G428 L431 T456 | T32-I66 HydrophobicContact CG2-CB 3.9Å; T32-I66 HydrophobicContact CG2-CG2 3.41Å; T32-I66 VanDerWaalsContact CG2-CG2 3.41Å; A57-I66 HydrophobicContact CB-CD1 4.23Å; G62-I66 WeakPolarHBondContact O-CG1 3.4Å; G62-I66 PolarHBondContact O-N 3.4Å; A63-I66 PolarHBondContact O-N 3.1Å; I66-Q68 VanDerWaalsContact C-N 3.33Å; I66-Q68 PolarHBondContact O-N 3.21Å; I66-G69 PolarHBondContact O-N 2.94Å; I66-G69 VanDerWaalsContact O-N 3.14Å; I66-M70 PolarHBondContact O-N 3.39Å; I66-M70 VanDerWaalsContact O-N 3.12Å; I66-P424 WeakPolarHBondContact CA-O 3.12Å; I66-P424 HydrophobicContact CG1-CB 4.07Å; I66-P424 VanDerWaalsContact CG1-O 3.28Å; I66-P424 WeakPolarHBondContact CG1-O 3.28Å; I66-I427 HydrophobicContact CD1-CG2 3.84Å; I66-I427 HydrophobicContact CG1-CB 4.07Å; I66-I427 HydrophobicContact CG1-CG2 3.79Å; I66-I427 HydrophobicContact CG2-CG2 3.99Å; I66-G428 VanDerWaalsContact O-CA 3.22Å; I66-G428 WeakPolarHBondContact O-CA 3.43Å; I66-L431 HydrophobicContact CG2-CD1 3.79Å; I66-T456 HydrophobicContact CD1-CG2 4.1Å |
| 67 | A | 98.8 | Very high | 97.7 | Very high | 0 Ų | 0 | 23.1 Ų | 23.1 | 0% | 0 | 12% | 0.116 | C | C | . | . | H | α-helix | trans | -60.4 | -42.8 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112 | A63 G64 F65 G69 M70 A71 A78 C80 L105 | A63-A67 PolarHBondContact O-N 3.47Å; G64-A67 PolarHBondContact O-N 2.91Å; F65-A67 VanDerWaalsContact C-N 3.33Å; A67-G69 VanDerWaalsContact C-N 3.33Å; A67-G69 PolarHBondContact O-N 3.1Å; A67-M70 HydrophobicContact CB-CE 4.37Å; A67-M70 PolarHBondContact O-N 2.96Å; A67-A71 PolarHBondContact O-N 2.94Å; A67-A78 HydrophobicContact CB-CB 4.02Å; A67-A78 WeakPolarHBondContact O-CB 3.49Å; A67-C80 HydrophobicContact CB-CB 3.98Å; A67-L105 HydrophobicContact CB-CD1 3.42Å; A67-L105 VanDerWaalsContact CB-CD1 3.42Å |
| 68 | Q | 98.8 | Very high | 97.7 | Very high | 0 Ų | 0 | 23.3 Ų | 23.3 | 0% | 0 | 12% | 0.117 | C | C | . | . | H | α-helix | trans | -59.6 | -41.1 | 172.6 | -73.1 | -159.4 | 51.8 | 0 | 0 | 113.2 | G64 F65 I66 M70 A71 R72 A94 D97 A98 I103 | G64-Q68 WeakPolarHBondContact O-CG 3.35Å; G64-Q68 PolarHBondContact O-N 3.49Å; F65-Q68 WeakPolarHBondContact O-CB 3.37Å; F65-Q68 PolarHBondContact O-N 2.99Å; I66-Q68 VanDerWaalsContact C-N 3.33Å; I66-Q68 PolarHBondContact O-N 3.21Å; Q68-M70 VanDerWaalsContact C-N 3.32Å; Q68-M70 PolarHBondContact O-N 3.37Å; Q68-A71 PolarHBondContact O-N 3.35Å; Q68-R72 WeakPolarHBondContact O-CB 3.44Å; Q68-R72 WeakPolarHBondContact O-CG 3.36Å; Q68-R72 PolarHBondContact O-N 3.31Å; Q68-A94 PolarHBondContact NE2-O 3.1Å; Q68-D97 PolarHBondContact NE2-OD2 3.11Å; Q68-D97 PolarHBondContact OE1-OD2 3.33Å; Q68-D97 VanDerWaalsContact OE1-OD2 3.05Å; Q68-A98 HydrophobicContact CG-CB 4.12Å; Q68-I103 HydrophobicContact CB-CG2 4.35Å; Q68-I103 HydrophobicContact CG-CG2 4.19Å |
| 69 | G | 98.7 | Very high | 97.7 | Very high | 0 Ų | 0 | 20 Ų | 20 | 0% | 0 | 10% | 0.104 | C | C | . | . | H | α-helix | trans | -56.6 | -44.9 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | F65 I66 A67 T73 A425 | F65-G69 PolarHBondContact O-N 3.08Å; I66-G69 PolarHBondContact O-N 2.94Å; I66-G69 VanDerWaalsContact O-N 3.14Å; A67-G69 VanDerWaalsContact C-N 3.33Å; A67-G69 PolarHBondContact O-N 3.1Å; G69-T73 WeakPolarHBondContact O-CG2 3.12Å; G69-T73 PolarHBondContact O-N 3.35Å; G69-A425 WeakPolarHBondContact CA-O 3.15Å |
| 70 | M | 98.6 | Very high | 97.7 | Very high | 11 Ų | 11 | 17 Ų | 17 | 5% | 0.054 | 9% | 0.091 | C | C | . | . | H | α-helix | trans | -59.7 | -56 | 173.3 | -66.2 | -173.2 | -73 | 0 | 0 | 111 | I30 T32 I66 A67 Q68 R72 T73 D74 A78 G428 L431 A432 | I30-M70 HydrophobicContact CB-CE 4.39Å; I30-M70 HydrophobicContact CB-SD 3.82Å; I30-M70 HydrophobicContact CD1-SD 4.27Å; I30-M70 HydrophobicContact CG2-CE 4.02Å; I30-M70 HydrophobicContact CG2-SD 3.74Å; T32-M70 HydrophobicContact CG2-CE 3.76Å; I66-M70 PolarHBondContact O-N 3.39Å; I66-M70 VanDerWaalsContact O-N 3.12Å; A67-M70 HydrophobicContact CB-CE 4.37Å; A67-M70 PolarHBondContact O-N 2.96Å; Q68-M70 VanDerWaalsContact C-N 3.32Å; Q68-M70 PolarHBondContact O-N 3.37Å; M70-R72 VanDerWaalsContact C-N 3.28Å; M70-R72 PolarHBondContact O-N 3.47Å; M70-T73 PolarHBondContact O-N 3.07Å; M70-T73 PolarHBondContact O-OG1 2.84Å; M70-D74 PolarHBondContact O-N 3.12Å; M70-A78 HydrophobicContact CB-CB 4.15Å; M70-A78 HydrophobicContact CE-CB 4.41Å; M70-G428 WeakPolarHBondContact CG-O 3.29Å; M70-L431 HydrophobicContact SD-CB 4.44Å; M70-A432 HydrophobicContact CB-CB 4.25Å; M70-A432 HydrophobicContact CG-CB 4.08Å |
| 71 | A | 98.3 | Very high | 97.7 | Very high | 1 Ų | 1 | 16 Ų | 16 | 1% | 0.008 | 9% | 0.086 | C | C | . | . | H | α-helix | trans | -57.9 | -35.6 | -176.8 | 0 | 0 | 0 | 0 | 0 | 113.9 | A67 Q68 T73 D74 G75 K76 A78 I103 P104 | A67-A71 PolarHBondContact O-N 2.94Å; Q68-A71 PolarHBondContact O-N 3.35Å; A71-T73 VanDerWaalsContact C-N 3.31Å; A71-T73 PolarHBondContact O-N 3.33Å; A71-D74 VanDerWaalsContact CA-OD1 3.23Å; A71-D74 WeakPolarHBondContact CA-OD1 3.4Å; A71-G75 WeakPolarHBondContact O-CA 3.35Å; A71-G75 PolarHBondContact O-N 2.95Å; A71-K76 WeakPolarHBondContact CA-O 3.43Å; A71-K76 WeakPolarHBondContact CB-O 3.48Å; A71-A78 HydrophobicContact CB-CB 3.89Å; A71-I103 HydrophobicContact CB-CG2 3.73Å; A71-P104 HydrophobicContact CB-CG 4.4Å; A71-P104 WeakPolarHBondContact CB-O 3.41Å |
| 72 | R | 97.9 | Very high | 97.7 | Very high | 16 Ų | 16 | 14.4 Ų | 14.4 | 6% | 0.06 | 8% | 0.079 | C | C | . | . | H | α-helix | trans | -70.2 | -28.1 | 178.9 | -72.6 | 169.4 | -177.2 | -102 | 8.3 | 112.2 | Q68 M70 D97 D101 I103 R408 L411 T412 | Q68-R72 WeakPolarHBondContact O-CB 3.44Å; Q68-R72 WeakPolarHBondContact O-CG 3.36Å; Q68-R72 PolarHBondContact O-N 3.31Å; M70-R72 VanDerWaalsContact C-N 3.28Å; M70-R72 PolarHBondContact O-N 3.47Å; R72-D97 IonicContact NH2-OD2 3.68Å; R72-D97 PolarHBondContact NH2-OD2 3.21Å; R72-D101 IonicContact CZ-OD2 3.08Å; R72-D101 IonicContact NH1-OD2 2.84Å; R72-D101 PolarHBondContact NH1-OD2 3.38Å; R72-D101 IonicContact NH2-OD2 2.6Å; R72-D101 PolarHBondContact NH2-OD2 3.08Å; R72-I103 HydrophobicContact CG-CD1 3.64Å; R72-I103 HydrophobicContact CG-CG1 4.2Å; R72-I103 HydrophobicContact CG-CG2 4.21Å; R72-R408 WeakPolarHBondContact O-CG 3.31Å; R72-R408 PolarHBondContact O-NH1 2.99Å; R72-L411 HydrophobicContact CB-CD1 4.32Å; R72-L411 HydrophobicContact CB-CD2 3.62Å; R72-L411 HydrophobicContact CB-CG 4.47Å; R72-T412 PolarHBondContact NH1-O 3.09Å |
| 73 | T | 96.6 | Very high | 97.6 | Very high | 13 Ų | 13 | 14.8 Ų | 14.8 | 8% | 0.08 | 8% | 0.081 | C | C | . | . | H | α-helix | trans | -86 | -33.3 | 179.5 | 63.1 | 0 | 0 | 0 | 0 | 114.2 | G69 M70 A71 I386 R408 L411 A429 N433 | G69-T73 WeakPolarHBondContact O-CG2 3.12Å; G69-T73 PolarHBondContact O-N 3.35Å; M70-T73 PolarHBondContact O-N 3.07Å; M70-T73 PolarHBondContact O-OG1 2.84Å; A71-T73 VanDerWaalsContact C-N 3.31Å; A71-T73 PolarHBondContact O-N 3.33Å; T73-I386 HydrophobicContact CG2-CD1 3.92Å; T73-I386 HydrophobicContact CG2-CG2 4.43Å; T73-R408 VanDerWaalsContact O-CD 3.25Å; T73-R408 WeakPolarHBondContact O-CD 3.49Å; T73-L411 HydrophobicContact CG2-CD1 3.67Å; T73-L411 HydrophobicContact CG2-CD2 4.48Å; T73-A429 HydrophobicContact CG2-CB 3.84Å; T73-N433 VanDerWaalsContact CB-ND2 3.31Å; T73-N433 WeakPolarHBondContact CB-ND2 3.39Å; T73-N433 PolarHBondContact OG1-ND2 3.41Å |
| 74 | D | 91.5 | Very high | 97.5 | Very high | 74 Ų | 74 | 14.9 Ų | 14.9 | 40% | 0.396 | 8% | 0.082 | S | C | . | . | H | α-helix | trans | -103 | -20.6 | -176.1 | 67.1 | 2.3 | 0 | 0 | 0 | 113.9 | M70 A71 K76 | M70-D74 PolarHBondContact O-N 3.12Å; A71-D74 VanDerWaalsContact CA-OD1 3.23Å; A71-D74 WeakPolarHBondContact CA-OD1 3.4Å; D74-K76 VanDerWaalsContact C-N 3.3Å; D74-K76 PolarHBondContact OD1-N 3.16Å |
| 75 | G | 92.5 | Very high | 97.4 | Very high | 31 Ų | 31 | 15.1 Ų | 15.1 | 32% | 0.32 | 8% | 0.084 | S | C | . | . | S | Bend | trans | 75.4 | 14.9 | -175.6 | 0 | 0 | 0 | 0 | 0 | 114.8 | A71 | A71-G75 WeakPolarHBondContact O-CA 3.35Å; A71-G75 PolarHBondContact O-N 2.95Å |
| 76 | K | 94.6 | Very high | 97.3 | Very high | 138 Ų | 138 | 18.2 Ų | 18.2 | 60% | 0.6 | 10% | 0.104 | S | C | * | . | S | Bend | trans | -113.5 | 158 | -177.4 | -63.2 | -179.8 | -178.7 | 177.8 | 0 | 110.8 | A71 D74 A78 | A71-K76 WeakPolarHBondContact CA-O 3.43Å; A71-K76 WeakPolarHBondContact CB-O 3.48Å; D74-K76 VanDerWaalsContact C-N 3.3Å; D74-K76 PolarHBondContact OD1-N 3.16Å; K76-A78 PolarHBondContact O-N 2.92Å |
| 77 | P | 97.4 | Very high | 97.3 | Very high | 12 Ų | 12 | 18.3 Ų | 18.3 | 8% | 0.078 | 11% | 0.105 | C | C | . | . | trans | -59 | 124 | 173 | -22.1 | 32.8 | 0 | 0 | 0 | 111.8 | I28 P104 I106 F155 Q159 | I28-P77 WeakPolarHBondContact CD1-O 3.37Å; P77-P104 WeakPolarHBondContact CA-O 3.49Å; P77-P104 HydrophobicContact CB-CB 4.35Å; P77-P104 HydrophobicContact CG-CB 4.12Å; P77-I106 HydrophobicContact CB-CG1 4.06Å; P77-F155 HydrophobicContact CB-CD1 4.08Å; P77-F155 HydrophobicContact CB-CE1 4.13Å; P77-F155 HydrophobicContact CG-CD1 4.26Å; P77-Q159 HydrophobicContact CG-CB 4.04Å | ||
| 78 | A | 98.5 | Very high | 97.3 | Very high | 7 Ų | 7 | 18.3 Ų | 18.3 | 6% | 0.058 | 11% | 0.105 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.4 | 159.1 | 167.7 | 0 | 0 | 0 | 0 | 0 | 110.6 | A67 M70 A71 K76 P104 I106 | A67-A78 HydrophobicContact CB-CB 4.02Å; A67-A78 WeakPolarHBondContact O-CB 3.49Å; M70-A78 HydrophobicContact CB-CB 4.15Å; M70-A78 HydrophobicContact CE-CB 4.41Å; A71-A78 HydrophobicContact CB-CB 3.89Å; K76-A78 PolarHBondContact O-N 2.92Å; A78-P104 PolarHBondContact N-O 2.61Å; A78-I106 PolarHBondContact O-N 2.98Å |
| 79 | V | 98.7 | Very high | 97.2 | Very high | 0 Ų | 0 | 20.9 Ų | 20.9 | 0% | 0 | 12% | 0.121 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118 | 127.9 | -173.5 | -176.9 | 0 | 0 | 0 | 0 | 111 | L23 I28 V31 T32 M81 I106 I108 F155 | L23-V79 HydrophobicContact CD1-CG1 4.42Å; L23-V79 HydrophobicContact CD2-CG2 3.97Å; I28-V79 HydrophobicContact CD1-CG2 3.9Å; I28-V79 HydrophobicContact CG1-CG2 3.93Å; I28-V79 HydrophobicContact CG2-CG2 4.11Å; V31-V79 HydrophobicContact CG1-CB 4.04Å; V31-V79 HydrophobicContact CG1-CG1 4.09Å; T32-V79 PolarHBondContact N-O 2.89Å; T32-V79 PolarHBondContact OG1-O 3.29Å; V79-M81 HydrophobicContact CG1-CE 3.98Å; V79-M81 HydrophobicContact CG1-CG 4.28Å; V79-I106 WeakPolarHBondContact CA-O 3.2Å; V79-I106 HydrophobicContact CG2-CB 4.19Å; V79-I108 HydrophobicContact CG1-CD1 4.13Å; V79-F155 HydrophobicContact CG2-CZ 3.98Å |
| 80 | C | 98.7 | Very high | 97.2 | Very high | 0 Ų | 0 | 23.4 Ų | 23.4 | 0% | 0 | 14% | 0.135 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.8 | 149.4 | 164.8 | 64 | 0 | 0 | 0 | 0 | 110.9 | T32 A67 I106 I108 | T32-C80 CarbonylContact O-C 3.59Å; T32-C80 VanDerWaalsContact O-CA 3.28Å; T32-C80 WeakPolarHBondContact O-CA 3.24Å; A67-C80 HydrophobicContact CB-CB 3.98Å; C80-I106 PolarHBondContact N-O 3.42Å; C80-I108 PolarHBondContact O-N 3.35Å |
| 81 | M | 98.6 | Very high | 97.2 | Very high | 0 Ų | 0 | 22.9 Ų | 22.9 | 0% | 0 | 13% | 0.132 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.7 | 140.8 | -176.5 | -60.5 | -176.1 | 172.4 | 0 | 0 | 111.7 | L23 V31 T32 G33 I34 V42 L46 V79 I108 | L23-M81 HydrophobicContact CD1-CE 3.37Å; V31-M81 HydrophobicContact CB-CE 4.38Å; V31-M81 HydrophobicContact CG1-CE 4.08Å; V31-M81 HydrophobicContact CG2-CE 4.5Å; V31-M81 HydrophobicContact CG2-SD 4.3Å; T32-M81 PolarHBondContact O-N 2.83Å; G33-M81 WeakPolarHBondContact CA-O 3.46Å; I34-M81 PolarHBondContact N-O 3.11Å; V42-M81 HydrophobicContact CG1-CE 4.44Å; V42-M81 HydrophobicContact CG1-SD 4.23Å; L46-M81 HydrophobicContact CD1-CE 4Å; L46-M81 HydrophobicContact CD1-SD 3.94Å; V79-M81 HydrophobicContact CG1-CE 3.98Å; V79-M81 HydrophobicContact CG1-CG 4.28Å; M81-I108 VanDerWaalsContact CA-O 3.23Å; M81-I108 WeakPolarHBondContact CA-O 3.3Å; M81-I108 HydrophobicContact CE-CD1 4.16Å; M81-I108 HydrophobicContact CG-CB 4.32Å |
| 82 | A | 98.3 | Very high | 97.2 | Very high | 0 Ų | 0 | 25 Ų | 25 | 0% | 0 | 15% | 0.145 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -146.2 | 166.1 | 172.1 | 0 | 0 | 0 | 0 | 0 | 113.1 | E60 G87 L91 I108 T109 G110 | E60-A82 HydrophobicContact CB-CB 4.41Å; E60-A82 HydrophobicContact CG-CB 3.83Å; A82-G87 WeakPolarHBondContact CB-O 3.17Å; A82-L91 HydrophobicContact CB-CD1 3.51Å; A82-L91 HydrophobicContact CB-CG 4.29Å; A82-I108 PolarHBondContact N-O 3.46Å; A82-I108 VanDerWaalsContact N-O 3.09Å; A82-T109 HydrophobicContact CB-CG2 4.2Å; A82-T109 VanDerWaalsContact O-CA 3.3Å; A82-T109 WeakPolarHBondContact O-CA 2.95Å; A82-G110 PolarHBondContact O-N 3.44Å |
| 83 | C | 97.1 | Very high | 97.3 | Very high | 7 Ų | 7 | 26.9 Ų | 26.9 | 5% | 0.047 | 16% | 0.158 | C | C | . | . | trans | -74.3 | 174.9 | 169.5 | -167.5 | 0 | 0 | 0 | 0 | 111.5 | G36 G37 S38 I39 G87 A88 | G36-C83 VanDerWaalsContact CA-SG 3.51Å; G37-C83 PolarHBondContact N-SG 3.03Å; S38-C83 PolarHBondContact N-SG 3.08Å; S38-C83 VanDerWaalsContact N-SG 3.37Å; S38-C83 PolarHBondContact OG-SG 3.49Å; I39-C83 HydrophobicContact CG2-CB 4.04Å; C83-G87 CarbonylContact O-C 3.46Å; C83-A88 PolarHBondContact O-N 3.15Å | ||
| 84 | S | 97.2 | Very high | 97.4 | Very high | 2 Ų | 2 | 26.2 Ų | 26.2 | 1% | 0.014 | 15% | 0.154 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -67 | 172 | 172.9 | 64.7 | 0 | 0 | 0 | 0 | 111.9 | S38 P86 G87 G110 Q123 | S38-S84 VanDerWaalsContact OG-CB 3.28Å; S38-S84 WeakPolarHBondContact OG-CB 3.36Å; S38-S84 PolarHBondContact OG-N 3.29Å; S38-S84 PolarHBondContact OG-OG 3.19Å; S84-P86 VanDerWaalsContact O-CD 3.26Å; S84-P86 WeakPolarHBondContact O-CD 3.43Å; S84-P86 VanDerWaalsContact O-N 3.16Å; S84-G87 PolarHBondContact O-N 3.13Å; S84-G110 WeakPolarHBondContact CA-O 3.32Å; S84-G110 WeakPolarHBondContact CB-O 3.25Å; S84-G110 PolarHBondContact N-O 3.3Å; S84-Q123 CarbonylContact C-O 3.5Å; S84-Q123 WeakPolarHBondContact CB-O 3.39Å; S84-Q123 PolarHBondContact OG-O 3.01Å |
| 85 | G | 97 | Very high | 97.7 | Very high | 5 Ų | 5 | 22.7 Ų | 22.7 | 5% | 0.052 | 14% | 0.135 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 61.9 | -114.7 | 169.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | G87 A88 T89 Q123 | G85-G87 VanDerWaalsContact C-N 3.32Å; G85-G87 PolarHBondContact O-N 2.81Å; G85-A88 PolarHBondContact O-N 2.88Å; G85-T89 WeakPolarHBondContact O-CG2 3.13Å; G85-T89 PolarHBondContact O-N 3.29Å; G85-T89 PolarHBondContact O-OG1 3.09Å; G85-T89 VanDerWaalsContact O-OG1 3.05Å; G85-Q123 VanDerWaalsContact CA-O 3.22Å; G85-Q123 WeakPolarHBondContact CA-O 3.23Å; G85-Q123 PolarHBondContact N-O 2.83Å |
| 86 | P | 97.7 | Very high | 98 | Very high | 65 Ų | 65 | 21.9 Ų | 21.9 | 42% | 0.422 | 13% | 0.126 | S | C | . | . | H | α-helix | trans | -60.5 | -37.9 | -179 | 24.8 | -33.9 | 0 | 0 | 0 | 113.1 | S84 A88 T89 N90 | S84-P86 VanDerWaalsContact O-CD 3.26Å; S84-P86 WeakPolarHBondContact O-CD 3.43Å; S84-P86 VanDerWaalsContact O-N 3.16Å; P86-A88 PolarHBondContact O-N 3.25Å; P86-T89 WeakPolarHBondContact CA-OG1 3.38Å; P86-T89 PolarHBondContact O-N 3.08Å; P86-T89 PolarHBondContact O-OG1 3.29Å; P86-T89 VanDerWaalsContact O-OG1 3.09Å; P86-N90 VanDerWaalsContact O-CB 3.31Å; P86-N90 WeakPolarHBondContact O-CB 3.25Å; P86-N90 PolarHBondContact O-N 3.25Å; P86-N90 PolarHBondContact O-ND2 3.17Å |
| 87 | G | 97.8 | Very high | 98.2 | Very high | 2 Ų | 2 | 15.3 Ų | 15.3 | 2% | 0.021 | 10% | 0.097 | C | C | . | . | H | α-helix | trans | -63.8 | -44.6 | -179.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | E60 A82 C83 S84 G85 | E60-G87 WeakPolarHBondContact OE1-CA 3.22Å; A82-G87 WeakPolarHBondContact CB-O 3.17Å; C83-G87 CarbonylContact O-C 3.46Å; S84-G87 PolarHBondContact O-N 3.13Å; G85-G87 VanDerWaalsContact C-N 3.32Å; G85-G87 PolarHBondContact O-N 2.81Å |
| 88 | A | 98 | Very high | 98.3 | Very high | 0 Ų | 0 | 14.8 Ų | 14.8 | 0% | 0 | 9% | 0.093 | C | C | . | . | H | α-helix | trans | -63.6 | -48.7 | 175.1 | 0 | 0 | 0 | 0 | 0 | 111.6 | C83 G85 P86 N90 L91 T109 V125 T127 W167 | C83-A88 PolarHBondContact O-N 3.15Å; G85-A88 PolarHBondContact O-N 2.88Å; P86-A88 PolarHBondContact O-N 3.25Å; A88-N90 VanDerWaalsContact C-N 3.3Å; A88-N90 PolarHBondContact O-N 3.01Å; A88-L91 WeakPolarHBondContact O-CB 3.1Å; A88-L91 PolarHBondContact O-N 2.94Å; A88-L91 VanDerWaalsContact O-N 3.09Å; A88-T109 HydrophobicContact CB-CG2 3.99Å; A88-V125 HydrophobicContact CB-CG1 4.41Å; A88-T127 HydrophobicContact CB-CG2 4.12Å; A88-W167 HydrophobicContact CB-CZ2 3.97Å; A88-W167 VanDerWaalsContact O-CH2 3.23Å; A88-W167 WeakPolarHBondContact O-CH2 3.48Å; A88-W167 WeakPolarHBondContact O-CZ2 3.41Å |
| 89 | T | 98.3 | Very high | 98.2 | Very high | 55 Ų | 55 | 18 Ų | 18 | 34% | 0.337 | 10% | 0.104 | S | C | . | . | H | α-helix | trans | -65.6 | -30.5 | -179 | 54.4 | 0 | 0 | 0 | 0 | 113.4 | G85 P86 L91 V92 V125 I130 | G85-T89 WeakPolarHBondContact O-CG2 3.13Å; G85-T89 PolarHBondContact O-N 3.29Å; G85-T89 PolarHBondContact O-OG1 3.09Å; G85-T89 VanDerWaalsContact O-OG1 3.05Å; P86-T89 WeakPolarHBondContact CA-OG1 3.38Å; P86-T89 PolarHBondContact O-N 3.08Å; P86-T89 PolarHBondContact O-OG1 3.29Å; P86-T89 VanDerWaalsContact O-OG1 3.09Å; T89-L91 PolarHBondContact O-N 2.77Å; T89-V92 VanDerWaalsContact O-CB 3.31Å; T89-V92 WeakPolarHBondContact O-CB 3.31Å; T89-V92 WeakPolarHBondContact O-CG2 3.35Å; T89-V92 PolarHBondContact O-N 2.95Å; T89-V125 HydrophobicContact CG2-CB 4.35Å; T89-V125 HydrophobicContact CG2-CG1 3.96Å; T89-V125 HydrophobicContact CG2-CG2 3.85Å; T89-I130 HydrophobicContact CG2-CD1 3.98Å |
| 90 | N | 98.5 | Very high | 98.2 | Very high | 53 Ų | 53 | 21.4 Ų | 21.4 | 28% | 0.283 | 12% | 0.122 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -66.2 | -17 | 173.8 | -77.7 | -10.9 | 0 | 0 | 0 | 113.9 | H59 E60 Q61 P86 A88 | H59-N90 VanDerWaalsContact CE1-CG 3.4Å; H59-N90 PolarHBondContact CE1-ND2 3.03Å; H59-N90 PolarHBondContact NE2-ND2 2.64Å; E60-N90 HydrophobicContact CB-CB 3.8Å; E60-N90 HydrophobicContact CG-CB 4.44Å; E60-N90 PolarHBondContact OE2-ND2 2.86Å; Q61-N90 WeakPolarHBondContact CA-O 3.38Å; Q61-N90 WeakPolarHBondContact CB-O 3.32Å; Q61-N90 PolarHBondContact N-O 3.29Å; P86-N90 VanDerWaalsContact O-CB 3.31Å; P86-N90 WeakPolarHBondContact O-CB 3.25Å; P86-N90 PolarHBondContact O-N 3.25Å; P86-N90 PolarHBondContact O-ND2 3.17Å; A88-N90 VanDerWaalsContact C-N 3.3Å; A88-N90 PolarHBondContact O-N 3.01Å |
| 91 | L | 98.4 | Very high | 98.1 | Very high | 0 Ų | 0 | 22.2 Ų | 22.2 | 0% | 0 | 13% | 0.126 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -86.1 | -13.9 | 175.5 | -72.3 | 169.2 | 0 | 0 | 0 | 113.9 | E60 A82 A88 T89 T93 A94 I95 C107 T109 W167 | E60-L91 HydrophobicContact CB-CD2 4.1Å; E60-L91 HydrophobicContact CB-CG 3.98Å; E60-L91 WeakPolarHBondContact O-CD2 3.43Å; A82-L91 HydrophobicContact CB-CD1 3.51Å; A82-L91 HydrophobicContact CB-CG 4.29Å; A88-L91 WeakPolarHBondContact O-CB 3.1Å; A88-L91 PolarHBondContact O-N 2.94Å; A88-L91 VanDerWaalsContact O-N 3.09Å; T89-L91 PolarHBondContact O-N 2.77Å; L91-T93 VanDerWaalsContact C-N 3.33Å; L91-T93 PolarHBondContact O-N 3.29Å; L91-A94 PolarHBondContact O-N 3.47Å; L91-I95 HydrophobicContact CB-CD1 3.79Å; L91-I95 HydrophobicContact CB-CG1 4.41Å; L91-I95 WeakPolarHBondContact O-CG1 3.46Å; L91-I95 PolarHBondContact O-N 2.8Å; L91-C107 VanDerWaalsContact CD1-SG 3.57Å; L91-T109 HydrophobicContact CD1-CG2 4.14Å; L91-W167 HydrophobicContact CB-CH2 4.39Å |
| 92 | V | 98.5 | Very high | 98.1 | Very high | 45 Ų | 45 | 23.6 Ų | 23.6 | 27% | 0.273 | 14% | 0.136 | S | C | . | . | H | α-helix | trans | -51.6 | -48.9 | -171.5 | 166.2 | 0 | 0 | 0 | 0 | 112 | T89 I95 A96 I130 I134 W167 | T89-V92 VanDerWaalsContact O-CB 3.31Å; T89-V92 WeakPolarHBondContact O-CB 3.31Å; T89-V92 WeakPolarHBondContact O-CG2 3.35Å; T89-V92 PolarHBondContact O-N 2.95Å; V92-I95 PolarHBondContact O-N 2.99Å; V92-A96 WeakPolarHBondContact O-CB 3.43Å; V92-A96 PolarHBondContact O-N 3.03Å; V92-I130 HydrophobicContact CG2-CD1 3.9Å; V92-I134 HydrophobicContact CB-CD1 4.29Å; V92-I134 HydrophobicContact CG1-CD1 3.86Å; V92-I134 HydrophobicContact CG2-CD1 4.49Å; V92-I134 WeakPolarHBondContact O-CD1 3.41Å; V92-W167 HydrophobicContact CG2-CH2 4.15Å; V92-W167 HydrophobicContact CG2-CZ3 4.37Å |
| 93 | T | 98.7 | Very high | 98.1 | Very high | 55 Ų | 55 | 24.3 Ų | 24.3 | 34% | 0.337 | 14% | 0.14 | S | C | . | . | H | α-helix | trans | -64 | -44 | 179.4 | -51.2 | 0 | 0 | 0 | 0 | 112 | F65 L91 I95 A96 D97 L416 T418 | F65-T93 HydrophobicContact CZ-CG2 4.37Å; L91-T93 VanDerWaalsContact C-N 3.33Å; L91-T93 PolarHBondContact O-N 3.29Å; T93-I95 VanDerWaalsContact C-N 3.25Å; T93-I95 PolarHBondContact O-N 2.99Å; T93-A96 PolarHBondContact O-N 3.15Å; T93-D97 VanDerWaalsContact O-CB 3.32Å; T93-D97 WeakPolarHBondContact O-CB 3.03Å; T93-D97 PolarHBondContact O-N 3.4Å; T93-L416 HydrophobicContact CG2-CD2 4.35Å; T93-T418 HydrophobicContact CG2-CG2 3.64Å |
| 94 | A | 98.7 | Very high | 98.1 | Very high | 0 Ų | 0 | 24.5 Ų | 24.5 | 0% | 0 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -65.8 | -31.1 | -179.2 | 0 | 0 | 0 | 0 | 0 | 112.5 | F65 Q68 L91 A98 | F65-A94 HydrophobicContact CD1-CB 3.84Å; F65-A94 VanDerWaalsContact CE1-CA 3.49Å; F65-A94 HydrophobicContact CE1-CB 3.75Å; F65-A94 HydrophobicContact CG-CB 4.35Å; F65-A94 HydrophobicContact CZ-CB 4.19Å; Q68-A94 PolarHBondContact NE2-O 3.1Å; L91-A94 PolarHBondContact O-N 3.47Å; A94-A98 PolarHBondContact O-N 3.33Å |
| 95 | I | 98.7 | Very high | 98.2 | Very high | 0 Ų | 0 | 24.4 Ų | 24.4 | 0% | 0 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -77 | -44.1 | 176.8 | -69.1 | 169.1 | 0 | 0 | 0 | 110.8 | L91 V92 T93 D97 A98 R99 L105 C107 I134 T135 P165 W167 | L91-I95 HydrophobicContact CB-CD1 3.79Å; L91-I95 HydrophobicContact CB-CG1 4.41Å; L91-I95 WeakPolarHBondContact O-CG1 3.46Å; L91-I95 PolarHBondContact O-N 2.8Å; V92-I95 PolarHBondContact O-N 2.99Å; T93-I95 VanDerWaalsContact C-N 3.25Å; T93-I95 PolarHBondContact O-N 2.99Å; I95-D97 VanDerWaalsContact C-N 3.27Å; I95-D97 PolarHBondContact O-N 2.74Å; I95-A98 PolarHBondContact O-N 3.22Å; I95-R99 PolarHBondContact O-N 3.19Å; I95-L105 HydrophobicContact CG1-CD2 4.29Å; I95-C107 HydrophobicContact CD1-CB 3.78Å; I95-C107 VanDerWaalsContact CD1-SG 3.56Å; I95-C107 HydrophobicContact CG1-CB 4.42Å; I95-I134 HydrophobicContact CB-CD1 4.22Å; I95-I134 HydrophobicContact CG2-CD1 3.96Å; I95-I134 HydrophobicContact CG2-CG1 4.22Å; I95-I134 WeakPolarHBondContact CG2-O 3.37Å; I95-T135 HydrophobicContact CG2-CG2 3.57Å; I95-P165 HydrophobicContact CG2-CB 4.01Å; I95-P165 HydrophobicContact CG2-CG 4.02Å; I95-P165 WeakPolarHBondContact O-CG 3.28Å; I95-W167 HydrophobicContact CD1-CD2 3.64Å; I95-W167 HydrophobicContact CD1-CE3 3.2Å; I95-W167 HydrophobicContact CD1-CG 4.45Å; I95-W167 HydrophobicContact CD1-CH2 3.77Å; I95-W167 HydrophobicContact CD1-CZ2 4.12Å; I95-W167 HydrophobicContact CD1-CZ3 3.3Å; I95-W167 HydrophobicContact CG1-CE3 4.41Å; I95-W167 HydrophobicContact CG1-CZ3 4.49Å; I95-W167 HydrophobicContact CG2-CE3 4.15Å; I95-W167 HydrophobicContact CG2-CZ3 4.48Å |
| 96 | A | 98.7 | Very high | 98.3 | Very high | 14 Ų | 14 | 24.2 Ų | 24.2 | 12% | 0.116 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -58.6 | -40.6 | 174 | 0 | 0 | 0 | 0 | 0 | 112.2 | V92 T93 R99 L100 I134 L416 | V92-A96 WeakPolarHBondContact O-CB 3.43Å; V92-A96 PolarHBondContact O-N 3.03Å; T93-A96 PolarHBondContact O-N 3.15Å; A96-R99 WeakPolarHBondContact O-CB 3.49Å; A96-R99 PolarHBondContact O-N 3.16Å; A96-L100 PolarHBondContact O-N 3.14Å; A96-L100 VanDerWaalsContact O-N 3.12Å; A96-I134 HydrophobicContact CB-CB 3.92Å; A96-I134 HydrophobicContact CB-CG2 3.73Å; A96-L416 HydrophobicContact CB-CD2 3.9Å |
| 97 | D | 98.8 | Very high | 98.3 | Very high | 0 Ų | 0 | 21.1 Ų | 21.1 | 0% | 0 | 12% | 0.118 | C | C | . | . | H | α-helix | trans | -60.8 | -51.3 | 175.5 | -173.7 | 87.2 | 0 | 0 | 0 | 111.6 | F65 Q68 R72 T93 I95 R99 L100 D101 S413 L416 T418 | F65-D97 HydrophobicContact CE1-CB 3.96Å; Q68-D97 PolarHBondContact NE2-OD2 3.11Å; Q68-D97 PolarHBondContact OE1-OD2 3.33Å; Q68-D97 VanDerWaalsContact OE1-OD2 3.05Å; R72-D97 IonicContact NH2-OD2 3.68Å; R72-D97 PolarHBondContact NH2-OD2 3.21Å; T93-D97 VanDerWaalsContact O-CB 3.32Å; T93-D97 WeakPolarHBondContact O-CB 3.03Å; T93-D97 PolarHBondContact O-N 3.4Å; I95-D97 VanDerWaalsContact C-N 3.27Å; I95-D97 PolarHBondContact O-N 2.74Å; D97-R99 PolarHBondContact O-N 2.89Å; D97-L100 PolarHBondContact O-N 3.42Å; D97-D101 PolarHBondContact O-N 2.96Å; D97-S413 VanDerWaalsContact OD1-CB 3.25Å; D97-S413 WeakPolarHBondContact OD1-CB 3.22Å; D97-S413 PolarHBondContact OD1-OG 3.37Å; D97-L416 HydrophobicContact CB-CB 4.41Å; D97-L416 HydrophobicContact CB-CD2 4Å; D97-T418 PolarHBondContact OD1-OG1 2.91Å |
| 98 | A | 98.6 | Very high | 98.4 | Very high | 0 Ų | 0 | 21 Ų | 21 | 0% | 0 | 12% | 0.117 | C | C | . | . | H | α-helix | trans | -57.7 | -35.9 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | Q68 A94 I95 S102 I103 L105 P165 | Q68-A98 HydrophobicContact CG-CB 4.12Å; A94-A98 PolarHBondContact O-N 3.33Å; I95-A98 PolarHBondContact O-N 3.22Å; A98-S102 WeakPolarHBondContact O-CA 3.4Å; A98-S102 PolarHBondContact O-N 2.97Å; A98-I103 HydrophobicContact CB-CB 4.04Å; A98-I103 PolarHBondContact O-N 3.13Å; A98-L105 HydrophobicContact CB-CB 4.37Å; A98-L105 HydrophobicContact CB-CD2 4.08Å; A98-P165 HydrophobicContact CB-CB 4.18Å; A98-P165 HydrophobicContact CB-CG 4.06Å |
| 99 | R | 98.1 | Very high | 98.4 | Very high | 74 Ų | 74 | 21 Ų | 21 | 28% | 0.279 | 12% | 0.117 | S | C | . | . | H | α-helix | trans | -67.5 | -43.5 | 179 | 179.9 | 59.8 | 175.7 | 121.7 | 0.3 | 112.9 | I95 A96 D97 I134 T135 P165 | I95-R99 PolarHBondContact O-N 3.19Å; A96-R99 WeakPolarHBondContact O-CB 3.49Å; A96-R99 PolarHBondContact O-N 3.16Å; D97-R99 PolarHBondContact O-N 2.89Å; R99-I134 WeakPolarHBondContact CB-O 3.37Å; R99-T135 PolarHBondContact NE-O 3.36Å; R99-T135 VanDerWaalsContact NE-O 3.15Å; R99-P165 VanDerWaalsContact CA-CD 3.49Å; R99-P165 HydrophobicContact CB-CG 3.79Å |
| 100 | L | 97.3 | Very high | 98.4 | Very high | 72 Ų | 72 | 18.4 Ų | 18.4 | 38% | 0.377 | 10% | 0.101 | S | C | . | . | H | α-helix | trans | -72.2 | -36.1 | -179 | -73.6 | 174.1 | 0 | 0 | 0 | 112.1 | A96 D97 R162 L416 | A96-L100 PolarHBondContact O-N 3.14Å; A96-L100 VanDerWaalsContact O-N 3.12Å; D97-L100 PolarHBondContact O-N 3.42Å; L100-R162 PolarHBondContact O-NH2 2.92Å; L100-L416 HydrophobicContact CD1-CB 3.76Å; L100-L416 HydrophobicContact CD1-CD1 3.74Å; L100-L416 HydrophobicContact CD1-CG 4.26Å |
| 101 | D | 97.8 | Very high | 98.4 | Very high | 17 Ų | 17 | 16.1 Ų | 16.1 | 9% | 0.091 | 9% | 0.089 | C | C | . | . | H | α-helix | trans | -88 | -1.5 | 177.5 | -79.7 | -2.4 | 0 | 0 | 0 | 114.3 | R72 D97 I103 M245 G414 G415 | R72-D101 IonicContact CZ-OD2 3.08Å; R72-D101 IonicContact NH1-OD2 2.84Å; R72-D101 PolarHBondContact NH1-OD2 3.38Å; R72-D101 IonicContact NH2-OD2 2.6Å; R72-D101 PolarHBondContact NH2-OD2 3.08Å; D97-D101 PolarHBondContact O-N 2.96Å; D101-I103 HydrophobicContact CB-CD1 4.16Å; D101-I103 HydrophobicContact CB-CG1 3.89Å; D101-M245 HydrophobicContact CB-CE 4.13Å; D101-G414 PolarHBondContact OD2-N 3.46Å; D101-G415 WeakPolarHBondContact OD1-CA 3.36Å; D101-G415 PolarHBondContact OD1-N 3.48Å |
| 102 | S | 98 | Very high | 98.3 | Very high | 30 Ų | 30 | 16.6 Ų | 16.6 | 21% | 0.21 | 9% | 0.091 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 63.5 | 46.1 | 177 | -32.9 | 0 | 0 | 0 | 0 | 113.3 | A98 R162 P163 | A98-S102 WeakPolarHBondContact O-CA 3.4Å; A98-S102 PolarHBondContact O-N 2.97Å; S102-R162 PolarHBondContact OG-NE 3.27Å; S102-R162 PolarHBondContact OG-NH2 3.42Å; S102-P163 CarbonylContact C-O 3.48Å; S102-P163 WeakPolarHBondContact CA-O 3.22Å; S102-P163 WeakPolarHBondContact CB-O 3.49Å; S102-P163 WeakPolarHBondContact O-CB 3.49Å |
| 103 | I | 98.2 | Very high | 98.2 | Very high | 15 Ų | 15 | 16.5 Ų | 16.5 | 8% | 0.077 | 9% | 0.092 | C | C | . | . | trans | -95.8 | 126.4 | -177.6 | -52.8 | -51.7 | 0 | 0 | 0 | 110 | Q68 A71 R72 A98 D101 L105 G164 | Q68-I103 HydrophobicContact CB-CG2 4.35Å; Q68-I103 HydrophobicContact CG-CG2 4.19Å; A71-I103 HydrophobicContact CB-CG2 3.73Å; R72-I103 HydrophobicContact CG-CD1 3.64Å; R72-I103 HydrophobicContact CG-CG1 4.2Å; R72-I103 HydrophobicContact CG-CG2 4.21Å; A98-I103 HydrophobicContact CB-CB 4.04Å; A98-I103 PolarHBondContact O-N 3.13Å; D101-I103 HydrophobicContact CB-CD1 4.16Å; D101-I103 HydrophobicContact CB-CG1 3.89Å; I103-L105 PolarHBondContact O-N 2.9Å; I103-L105 VanDerWaalsContact O-N 3.17Å; I103-G164 CarbonylContact O-C 3.58Å; I103-G164 WeakPolarHBondContact O-CA 3.5Å | ||
| 104 | P | 97.8 | Very high | 98.1 | Very high | 11 Ų | 11 | 15.7 Ų | 15.7 | 7% | 0.071 | 9% | 0.091 | C | C | . | . | trans | -70.8 | 111.3 | 177.3 | 29.5 | -32.7 | 0 | 0 | 0 | 109.8 | A71 P77 A78 P163 | A71-P104 HydrophobicContact CB-CG 4.4Å; A71-P104 WeakPolarHBondContact CB-O 3.41Å; P77-P104 WeakPolarHBondContact CA-O 3.49Å; P77-P104 HydrophobicContact CB-CB 4.35Å; P77-P104 HydrophobicContact CG-CB 4.12Å; A78-P104 PolarHBondContact N-O 2.61Å; P104-P163 HydrophobicContact CB-CB 4.07Å; P104-P163 HydrophobicContact CG-CB 4.29Å | ||
| 105 | L | 98.7 | Very high | 98 | Very high | 0 Ų | 0 | 20.5 Ų | 20.5 | 0% | 0 | 12% | 0.124 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.9 | 135.9 | -177.3 | -177.9 | 73.2 | 0 | 0 | 0 | 109.4 | A67 I95 A98 I103 P165 V166 | A67-L105 HydrophobicContact CB-CD1 3.42Å; A67-L105 VanDerWaalsContact CB-CD1 3.42Å; I95-L105 HydrophobicContact CG1-CD2 4.29Å; A98-L105 HydrophobicContact CB-CB 4.37Å; A98-L105 HydrophobicContact CB-CD2 4.08Å; I103-L105 PolarHBondContact O-N 2.9Å; I103-L105 VanDerWaalsContact O-N 3.17Å; L105-P165 HydrophobicContact CB-CB 4.07Å; L105-P165 HydrophobicContact CD2-CB 4.4Å; L105-P165 CarbonylContact O-C 3.57Å; L105-P165 VanDerWaalsContact O-CA 3.23Å; L105-P165 WeakPolarHBondContact O-CA 3.33Å; L105-V166 PolarHBondContact O-N 3.14Å |
| 106 | I | 98.7 | Very high | 97.9 | Very high | 0 Ų | 0 | 24.4 Ų | 24.4 | 0% | 0 | 14% | 0.143 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.6 | 114.9 | 171.1 | -55.9 | -61.8 | 0 | 0 | 0 | 107.7 | P77 A78 V79 C80 I108 A154 F155 A158 V166 I168 | P77-I106 HydrophobicContact CB-CG1 4.06Å; A78-I106 PolarHBondContact O-N 2.98Å; V79-I106 WeakPolarHBondContact CA-O 3.2Å; V79-I106 HydrophobicContact CG2-CB 4.19Å; C80-I106 PolarHBondContact N-O 3.42Å; I106-I108 HydrophobicContact CG2-CD1 4.28Å; I106-I108 HydrophobicContact CG2-CG1 4Å; I106-A154 HydrophobicContact CD1-CB 4.28Å; I106-F155 HydrophobicContact CB-CE2 4.41Å; I106-F155 HydrophobicContact CB-CZ 4.42Å; I106-F155 HydrophobicContact CD1-CD2 4.19Å; I106-F155 HydrophobicContact CD1-CE2 4.46Å; I106-F155 HydrophobicContact CD1-CG 4.32Å; I106-F155 HydrophobicContact CG1-CD1 4.26Å; I106-F155 HydrophobicContact CG1-CD2 4.07Å; I106-F155 HydrophobicContact CG1-CE1 4.06Å; I106-F155 HydrophobicContact CG1-CE2 3.88Å; I106-F155 HydrophobicContact CG1-CG 4.27Å; I106-F155 HydrophobicContact CG1-CZ 3.87Å; I106-F155 HydrophobicContact CG2-CE2 4.04Å; I106-F155 HydrophobicContact CG2-CZ 4.47Å; I106-A158 HydrophobicContact CD1-CB 3.57Å; I106-V166 HydrophobicContact CD1-CB 4.22Å; I106-I168 HydrophobicContact CG2-CD1 4.15Å |
| 107 | C | 98.6 | Very high | 97.8 | Very high | 1 Ų | 1 | 26.7 Ų | 26.7 | 1% | 0.007 | 15% | 0.153 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.7 | 120.6 | 175.2 | 172.2 | 0 | 0 | 0 | 0 | 109.1 | L91 I95 V166 W167 I168 | L91-C107 VanDerWaalsContact CD1-SG 3.57Å; I95-C107 HydrophobicContact CD1-CB 3.78Å; I95-C107 VanDerWaalsContact CD1-SG 3.56Å; I95-C107 HydrophobicContact CG1-CB 4.42Å; C107-V166 PolarHBondContact N-O 3.39Å; C107-W167 HydrophobicContact CB-CB 4.37Å; C107-W167 HydrophobicContact CB-CD2 4.48Å; C107-W167 HydrophobicContact CB-CG 4.1Å; C107-W167 CarbonylContact O-C 3.56Å; C107-W167 WeakPolarHBondContact O-CA 3.39Å; C107-W167 VanDerWaalsContact SG-CD1 3.59Å; C107-W167 VanDerWaalsContact SG-CE2 3.57Å; C107-W167 PolarHBondContact SG-NE1 2.98Å; C107-W167 VanDerWaalsContact SG-NE1 3.43Å; C107-I168 PolarHBondContact O-N 3.26Å |
| 108 | I | 98.6 | Very high | 97.6 | Very high | 0 Ų | 0 | 30 Ų | 30 | 0% | 0 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114 | 117.5 | 177.5 | -58.4 | 174.6 | 0 | 0 | 0 | 108.9 | I19 L23 V79 C80 M81 A82 I106 M151 I168 I170 | I19-I108 HydrophobicContact CG2-CD1 4.17Å; L23-I108 HydrophobicContact CD1-CD1 4.3Å; L23-I108 HydrophobicContact CD2-CD1 4.42Å; V79-I108 HydrophobicContact CG1-CD1 4.13Å; C80-I108 PolarHBondContact O-N 3.35Å; M81-I108 VanDerWaalsContact CA-O 3.23Å; M81-I108 WeakPolarHBondContact CA-O 3.3Å; M81-I108 HydrophobicContact CE-CD1 4.16Å; M81-I108 HydrophobicContact CG-CB 4.32Å; A82-I108 PolarHBondContact N-O 3.46Å; A82-I108 VanDerWaalsContact N-O 3.09Å; I106-I108 HydrophobicContact CG2-CD1 4.28Å; I106-I108 HydrophobicContact CG2-CG1 4Å; I108-M151 HydrophobicContact CD1-CE 3.99Å; I108-M151 HydrophobicContact CD1-SD 4.47Å; I108-I168 WeakPolarHBondContact CA-O 3.14Å; I108-I168 HydrophobicContact CG1-CD1 4.47Å; I108-I170 HydrophobicContact CG2-CD1 3.81Å; I108-I170 HydrophobicContact CG2-CG1 4.49Å |
| 109 | T | 98.5 | Very high | 97.5 | Very high | 0 Ų | 0 | 33.5 Ų | 33.5 | 0% | 0 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.6 | 142.7 | 177.4 | 50.1 | 0 | 0 | 0 | 0 | 111.8 | A82 A88 L91 W167 I168 D169 I170 | A82-T109 HydrophobicContact CB-CG2 4.2Å; A82-T109 VanDerWaalsContact O-CA 3.3Å; A82-T109 WeakPolarHBondContact O-CA 2.95Å; A88-T109 HydrophobicContact CB-CG2 3.99Å; L91-T109 HydrophobicContact CD1-CG2 4.14Å; T109-W167 HydrophobicContact CG2-CZ2 3.97Å; T109-W167 PolarHBondContact OG1-NE1 2.95Å; T109-I168 PolarHBondContact N-O 3.31Å; T109-D169 WeakPolarHBondContact CB-OD1 3.4Å; T109-D169 PolarHBondContact OG1-OD1 2.88Å; T109-I170 PolarHBondContact O-N 2.65Å |
| 110 | G | 98 | Very high | 97.2 | Very high | 0 Ų | 0 | 37.7 Ų | 37.7 | 0% | 0 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -76.2 | 147.1 | 166 | 0 | 0 | 0 | 0 | 0 | 109.5 | S38 A82 S84 I170 | S38-G110 VanDerWaalsContact OG-C 3.27Å; S38-G110 PolarHBondContact OG-O 3Å; A82-G110 PolarHBondContact O-N 3.44Å; S84-G110 WeakPolarHBondContact CA-O 3.32Å; S84-G110 WeakPolarHBondContact CB-O 3.25Å; S84-G110 PolarHBondContact N-O 3.3Å; G110-I170 CarbonylContact C-O 3.58Å; G110-I170 WeakPolarHBondContact CA-O 3Å |
| 111 | Q | 97.9 | Very high | 97.1 | Very high | 5 Ų | 5 | 35 Ų | 35 | 2% | 0.023 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.2 | 160.6 | 173.4 | -172.4 | 53.5 | -89.2 | 0 | 0 | 110.6 | I117 V125 T127 D169 I170 P171 K172 | Q111-I117 HydrophobicContact CG-CD1 4.04Å; Q111-I117 HydrophobicContact CG-CG1 4.3Å; Q111-V125 PolarHBondContact NE2-O 3.36Å; Q111-V125 VanDerWaalsContact NE2-O 3.11Å; Q111-T127 PolarHBondContact NE2-OG1 3.34Å; Q111-D169 WeakPolarHBondContact CG-OD2 3.46Å; Q111-D169 PolarHBondContact NE2-OD2 3.19Å; Q111-I170 PolarHBondContact N-O 3.04Å; Q111-P171 HydrophobicContact CB-CG 4.4Å; Q111-K172 PolarHBondContact O-N 3.49Å |
| 112 | V | 97.3 | Very high | 97 | Very high | 9 Ų | 9 | 42.5 Ų | 42.5 | 6% | 0.055 | 26% | 0.257 | C | S | . | . | trans | -55 | 155.3 | 168.4 | -58.3 | 0 | 0 | 0 | 0 | 110.5 | M116 I117 A121 E124 P171 | V112-M116 HydrophobicContact CB-CB 4.32Å; V112-M116 HydrophobicContact CG2-CB 4.09Å; V112-I117 HydrophobicContact CG2-CG1 3.79Å; V112-A121 HydrophobicContact CB-CB 4.5Å; V112-A121 HydrophobicContact CG1-CB 4.21Å; V112-A121 HydrophobicContact CG2-CB 4.49Å; V112-E124 HydrophobicContact CG1-CB 3.95Å; V112-E124 HydrophobicContact CG1-CG 4.41Å; V112-E124 HydrophobicContact CG2-CB 4.3Å; V112-E124 HydrophobicContact CG2-CG 3.9Å; V112-P171 WeakPolarHBondContact O-CB 3.46Å | ||
| 113 | P | 97.4 | Very high | 97 | Very high | 44 Ų | 44 | 44.3 Ų | 44.3 | 29% | 0.286 | 26% | 0.262 | S | S | . | . | trans | -52.3 | 145.1 | 177.1 | -25.9 | 34.3 | 0 | 0 | 0 | 111.9 | S115 M116 K172 D173 | P113-S115 PolarHBondContact O-N 2.83Å; P113-M116 WeakPolarHBondContact O-CA 3.26Å; P113-M116 WeakPolarHBondContact O-CB 3.35Å; P113-M116 PolarHBondContact O-N 3.27Å; P113-K172 HydrophobicContact CG-CB 4.35Å; P113-D173 WeakPolarHBondContact CA-OD1 3.43Å; P113-D173 HydrophobicContact CB-CB 4.28Å | ||
| 114 | A | 96 | Very high | 96.9 | Very high | 38 Ų | 38 | 45.6 Ų | 45.6 | 31% | 0.314 | 27% | 0.268 | S | S | . | . | G | 310 helix | trans | -54.4 | -35.2 | -172.3 | 0 | 0 | 0 | 0 | 0 | 113.4 | M116 I117 P171 D173 | A114-M116 PolarHBondContact O-N 3.2Å; A114-I117 PolarHBondContact O-N 3.43Å; A114-P171 HydrophobicContact CB-CB 4.4Å; A114-D173 WeakPolarHBondContact CB-OD2 3.44Å; A114-D173 PolarHBondContact N-OD1 3.42Å; A114-D173 PolarHBondContact N-OD2 2.99Å |
| 115 | S | 96.6 | Very high | 96.8 | Very high | 100 Ų | 100 | 46.8 Ų | 46.8 | 70% | 0.699 | 28% | 0.275 | S | S | * | . | G | 310 helix | trans | -64.7 | -17.5 | 176.1 | 58.8 | 0 | 0 | 0 | 0 | 115.5 | P113 | P113-S115 PolarHBondContact O-N 2.83Š|
| 116 | M | 96.6 | Very high | 96.7 | Very high | 82 Ų | 82 | 51.8 Ų | 51.8 | 40% | 0.404 | 30% | 0.302 | S | S | . | . | G | 310 helix | trans | -102.7 | -5.8 | -178.8 | -62 | -63.1 | -62 | 0 | 0 | 112.4 | V112 P113 A114 G118 T119 A121 E124 | V112-M116 HydrophobicContact CB-CB 4.32Å; V112-M116 HydrophobicContact CG2-CB 4.09Å; P113-M116 WeakPolarHBondContact O-CA 3.26Å; P113-M116 WeakPolarHBondContact O-CB 3.35Å; P113-M116 PolarHBondContact O-N 3.27Å; A114-M116 PolarHBondContact O-N 3.2Å; M116-G118 PolarHBondContact O-N 2.99Å; M116-T119 WeakPolarHBondContact O-CB 3.16Å; M116-T119 WeakPolarHBondContact O-CG2 3.45Å; M116-T119 PolarHBondContact O-N 3.26Å; M116-T119 PolarHBondContact O-OG1 3.18Å; M116-A121 HydrophobicContact CB-CB 3.93Å; M116-A121 HydrophobicContact CE-CB 3.82Å; M116-E124 VanDerWaalsContact O-OE2 3.12Å |
| 117 | I | 95.9 | Very high | 96.5 | Very high | 63 Ų | 63 | 51.9 Ų | 51.9 | 32% | 0.323 | 30% | 0.302 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -68.3 | 131.8 | 177.7 | -61.8 | 176.9 | 0 | 0 | 0 | 109.4 | Q111 V112 A114 E124 L140 P171 | Q111-I117 HydrophobicContact CG-CD1 4.04Å; Q111-I117 HydrophobicContact CG-CG1 4.3Å; V112-I117 HydrophobicContact CG2-CG1 3.79Å; A114-I117 PolarHBondContact O-N 3.43Å; I117-E124 WeakPolarHBondContact CA-OE1 3.43Å; I117-L140 HydrophobicContact CD1-CD1 4.18Å; I117-L140 HydrophobicContact CD1-CD2 4.3Å; I117-P171 HydrophobicContact CD1-CG 4.1Å |
| 118 | G | 94.7 | Very high | 96.2 | Very high | 69 Ų | 69 | 56.6 Ų | 56.6 | 71% | 0.711 | 32% | 0.32 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 83 | 17.9 | -174.5 | 0 | 0 | 0 | 0 | 0 | 114.3 | M116 E124 | M116-G118 PolarHBondContact O-N 2.99Å; G118-E124 PolarHBondContact N-OE1 2.86Å |
| 119 | T | 95.7 | Very high | 96.1 | Very high | 74 Ų | 74 | 57.9 Ų | 57.9 | 45% | 0.454 | 33% | 0.334 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -116.5 | 6.1 | -174.3 | 71.9 | 0 | 0 | 0 | 0 | 114.7 | M116 A121 E124 | M116-T119 WeakPolarHBondContact O-CB 3.16Å; M116-T119 WeakPolarHBondContact O-CG2 3.45Å; M116-T119 PolarHBondContact O-N 3.26Å; M116-T119 PolarHBondContact O-OG1 3.18Å; T119-A121 PolarHBondContact O-N 3.31Å; T119-E124 PolarHBondContact N-OE2 3.15Å |
| 120 | D | 93.5 | Very high | 96 | Very high | 161 Ų | 161 | 60.8 Ų | 60.8 | 86% | 0.861 | 35% | 0.349 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 56.6 | 40.3 | -170.5 | -57.4 | -39.1 | 0 | 0 | 0 | 111.6 | E124 | D120-E124 WeakPolarHBondContact CA-OE2 3.38Å; D120-E124 PolarHBondContact N-OE2 3.28Å |
| 121 | A | 95.5 | Very high | 96 | Very high | 17 Ų | 17 | 60.8 Ų | 60.8 | 14% | 0.14 | 35% | 0.349 | C | S | . | . | trans | -64.1 | 163 | -178.8 | 0 | 0 | 0 | 0 | 0 | 112 | V112 M116 T119 Q123 E124 | V112-A121 HydrophobicContact CB-CB 4.5Å; V112-A121 HydrophobicContact CG1-CB 4.21Å; V112-A121 HydrophobicContact CG2-CB 4.49Å; M116-A121 HydrophobicContact CB-CB 3.93Å; M116-A121 HydrophobicContact CE-CB 3.82Å; T119-A121 PolarHBondContact O-N 3.31Å; A121-Q123 PolarHBondContact O-N 3.36Å; A121-Q123 VanDerWaalsContact O-N 3.16Å; A121-E124 HydrophobicContact CB-CB 4.08Å; A121-E124 PolarHBondContact N-OE2 3.16Å; A121-E124 WeakPolarHBondContact O-CB 3.21Å; A121-E124 PolarHBondContact O-N 3.37Å | ||
| 122 | F | 95.5 | Very high | 95.9 | Very high | 174 Ų | 174 | 65.1 Ų | 65.1 | 76% | 0.763 | 37% | 0.371 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58 | 123 | 178.4 | 176.4 | -105.6 | 0 | 0 | 0 | 111.4 | E124 | F122-E124 PolarHBondContact O-N 3.35Š|
| 123 | Q | 96.1 | Very high | 95.9 | Very high | 68 Ų | 68 | 69.6 Ų | 69.6 | 32% | 0.318 | 40% | 0.4 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 57.9 | 29.6 | -174.6 | -61.2 | -177 | -34 | 0 | 0 | 114 | S84 G85 A121 | S84-Q123 CarbonylContact C-O 3.5Å; S84-Q123 WeakPolarHBondContact CB-O 3.39Å; S84-Q123 PolarHBondContact OG-O 3.01Å; G85-Q123 VanDerWaalsContact CA-O 3.22Å; G85-Q123 WeakPolarHBondContact CA-O 3.23Å; G85-Q123 PolarHBondContact N-O 2.83Å; A121-Q123 PolarHBondContact O-N 3.36Å; A121-Q123 VanDerWaalsContact O-N 3.16Å |
| 124 | E | 97.1 | Very high | 95.9 | Very high | 42 Ų | 42 | 68.8 Ų | 68.8 | 20% | 0.196 | 39% | 0.394 | C | S | . | . | trans | -82.1 | 139 | 167.6 | -168.8 | -175 | 173.8 | 0 | 0 | 110.9 | V112 M116 I117 G118 T119 D120 A121 F122 | V112-E124 HydrophobicContact CG1-CB 3.95Å; V112-E124 HydrophobicContact CG1-CG 4.41Å; V112-E124 HydrophobicContact CG2-CB 4.3Å; V112-E124 HydrophobicContact CG2-CG 3.9Å; M116-E124 VanDerWaalsContact O-OE2 3.12Å; I117-E124 WeakPolarHBondContact CA-OE1 3.43Å; G118-E124 PolarHBondContact N-OE1 2.86Å; T119-E124 PolarHBondContact N-OE2 3.15Å; D120-E124 WeakPolarHBondContact CA-OE2 3.38Å; D120-E124 PolarHBondContact N-OE2 3.28Å; A121-E124 HydrophobicContact CB-CB 4.08Å; A121-E124 PolarHBondContact N-OE2 3.16Å; A121-E124 WeakPolarHBondContact O-CB 3.21Å; A121-E124 PolarHBondContact O-N 3.37Å; F122-E124 PolarHBondContact O-N 3.35Å | ||
| 125 | V | 95.5 | Very high | 96 | Very high | 36 Ų | 36 | 67.4 Ų | 67.4 | 22% | 0.218 | 38% | 0.381 | C | S | . | . | trans | -146.6 | 149.3 | 163.4 | 69.2 | 0 | 0 | 0 | 0 | 108.1 | A88 T89 Q111 T127 | A88-V125 HydrophobicContact CB-CG1 4.41Å; T89-V125 HydrophobicContact CG2-CB 4.35Å; T89-V125 HydrophobicContact CG2-CG1 3.96Å; T89-V125 HydrophobicContact CG2-CG2 3.85Å; Q111-V125 PolarHBondContact NE2-O 3.36Å; Q111-V125 VanDerWaalsContact NE2-O 3.11Å; V125-T127 WeakPolarHBondContact CG1-OG1 3.31Å; V125-T127 PolarHBondContact O-N 2.77Å; V125-T127 PolarHBondContact O-OG1 3.11Å | ||
| 126 | D | 96.1 | Very high | 96.1 | Very high | 105 Ų | 105 | 65.5 Ų | 65.5 | 56% | 0.561 | 36% | 0.36 | S | S | * | . | trans | -72 | 72.1 | 172.2 | -177.9 | 14.9 | 0 | 0 | 0 | 110.9 | Y128 G129 I130 | D126-Y128 PolarHBondContact O-N 3.21Å; D126-Y128 PolarHBondContact OD1-N 3.09Å; D126-G129 PolarHBondContact O-N 3.25Å; D126-G129 PolarHBondContact OD1-N 3.13Å; D126-G129 WeakPolarHBondContact OD2-CA 3.44Å; D126-I130 WeakPolarHBondContact O-CG2 3.25Å; D126-I130 PolarHBondContact O-N 2.82Å; D126-I130 VanDerWaalsContact O-N 3.12Å | ||
| 127 | T | 95.1 | Very high | 96.2 | Very high | 1 Ų | 1 | 65 Ų | 65 | 1% | 0.006 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -57.5 | -34.5 | 177.5 | -52.9 | 0 | 0 | 0 | 0 | 111.3 | A88 Q111 V125 I130 S131 W167 D169 | A88-T127 HydrophobicContact CB-CG2 4.12Å; Q111-T127 PolarHBondContact NE2-OG1 3.34Å; V125-T127 WeakPolarHBondContact CG1-OG1 3.31Å; V125-T127 PolarHBondContact O-N 2.77Å; V125-T127 PolarHBondContact O-OG1 3.11Å; T127-I130 VanDerWaalsContact O-CG1 3.3Å; T127-I130 WeakPolarHBondContact O-CG1 3.38Å; T127-S131 WeakPolarHBondContact O-CB 3.38Å; T127-S131 PolarHBondContact O-N 3.05Å; T127-S131 PolarHBondContact O-OG 3.47Å; T127-W167 HydrophobicContact CG2-CD2 4.09Å; T127-W167 HydrophobicContact CG2-CH2 4.05Å; T127-W167 HydrophobicContact CG2-CZ2 3.33Å; T127-D169 WeakPolarHBondContact CB-OD2 3.37Å; T127-D169 HydrophobicContact CG2-CB 4.47Å |
| 128 | Y | 93.4 | Very high | 96.3 | Very high | 100 Ų | 100 | 62.5 Ų | 62.5 | 39% | 0.392 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -64.3 | -52.3 | 177.6 | -173.7 | -90.7 | 0 | 0 | 0 | 110.6 | D126 I130 S131 I132 N138 L140 | D126-Y128 PolarHBondContact O-N 3.21Å; D126-Y128 PolarHBondContact OD1-N 3.09Å; Y128-I130 PolarHBondContact O-N 2.83Å; Y128-S131 PolarHBondContact O-N 3.28Å; Y128-S131 PolarHBondContact O-OG 2.92Å; Y128-S131 VanDerWaalsContact O-OG 3.08Å; Y128-I132 HydrophobicContact CD1-CD1 4.18Å; Y128-I132 HydrophobicContact CE1-CD1 3.9Å; Y128-I132 HydrophobicContact CE1-CG1 4.37Å; Y128-I132 WeakPolarHBondContact O-CG1 3.43Å; Y128-I132 PolarHBondContact O-N 3.28Å; Y128-N138 PolarHBondContact O-ND2 3.03Å; Y128-L140 HydrophobicContact CD2-CB 4.03Å |
| 129 | G | 96.3 | Very high | 96.4 | Very high | 28 Ų | 28 | 61.1 Ų | 61.1 | 29% | 0.289 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -59.5 | -46.5 | 179 | 0 | 0 | 0 | 0 | 0 | 113.7 | D126 S131 | D126-G129 PolarHBondContact O-N 3.25Å; D126-G129 PolarHBondContact OD1-N 3.13Å; D126-G129 WeakPolarHBondContact OD2-CA 3.44Å; G129-S131 VanDerWaalsContact C-N 3.26Å; G129-S131 PolarHBondContact O-N 2.94Å |
| 130 | I | 96.4 | Very high | 96.5 | Very high | 60 Ų | 60 | 59.2 Ų | 59.2 | 31% | 0.308 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -67.2 | -25.6 | -178.3 | 67.9 | 179.3 | 0 | 0 | 0 | 113.2 | T89 V92 D126 T127 Y128 W167 | T89-I130 HydrophobicContact CG2-CD1 3.98Å; V92-I130 HydrophobicContact CG2-CD1 3.9Å; D126-I130 WeakPolarHBondContact O-CG2 3.25Å; D126-I130 PolarHBondContact O-N 2.82Å; D126-I130 VanDerWaalsContact O-N 3.12Å; T127-I130 VanDerWaalsContact O-CG1 3.3Å; T127-I130 WeakPolarHBondContact O-CG1 3.38Å; Y128-I130 PolarHBondContact O-N 2.83Å; I130-W167 HydrophobicContact CD1-CH2 4.4Å |
| 131 | S | 96.5 | Very high | 96.7 | Very high | 1 Ų | 1 | 51.6 Ų | 51.6 | 1% | 0.007 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -92.3 | -17.3 | -171.6 | 58.7 | 0 | 0 | 0 | 0 | 114.5 | T127 Y128 G129 I134 T135 N138 | T127-S131 WeakPolarHBondContact O-CB 3.38Å; T127-S131 PolarHBondContact O-N 3.05Å; T127-S131 PolarHBondContact O-OG 3.47Å; Y128-S131 PolarHBondContact O-N 3.28Å; Y128-S131 PolarHBondContact O-OG 2.92Å; Y128-S131 VanDerWaalsContact O-OG 3.08Å; G129-S131 VanDerWaalsContact C-N 3.26Å; G129-S131 PolarHBondContact O-N 2.94Å; S131-I134 PolarHBondContact O-N 2.86Å; S131-T135 WeakPolarHBondContact O-CB 3.26Å; S131-T135 WeakPolarHBondContact O-CG2 3.39Å; S131-T135 PolarHBondContact O-N 3.03Å; S131-T135 PolarHBondContact O-OG1 3.03Å; S131-N138 PolarHBondContact OG-ND2 3.29Å |
| 132 | I | 97.5 | Very high | 96.7 | Very high | 96 Ų | 96 | 58.7 Ų | 58.7 | 49% | 0.492 | 29% | 0.287 | S | S | . | . | G | 310 helix | trans | -50.4 | -51.3 | 178.2 | -68 | 165.7 | 0 | 0 | 0 | 113.1 | Y128 I134 N138 | Y128-I132 HydrophobicContact CD1-CD1 4.18Å; Y128-I132 HydrophobicContact CE1-CD1 3.9Å; Y128-I132 HydrophobicContact CE1-CG1 4.37Å; Y128-I132 WeakPolarHBondContact O-CG1 3.43Å; Y128-I132 PolarHBondContact O-N 3.28Å; I132-I134 VanDerWaalsContact C-N 3.3Å; I132-I134 PolarHBondContact O-N 2.94Å; I132-N138 WeakPolarHBondContact CG1-ND2 3.3Å; I132-N138 PolarHBondContact N-ND2 3.24Å |
| 133 | P | 96.5 | Very high | 96.7 | Very high | 102 Ų | 102 | 56 Ų | 56 | 66% | 0.662 | 28% | 0.277 | S | S | * | . | G | 310 helix | trans | -76.1 | -17.6 | -174.2 | 28.8 | -34.7 | 0 | 0 | 0 | 114 | ||
| 134 | I | 98 | Very high | 96.7 | Very high | 28 Ų | 28 | 53.4 Ų | 53.4 | 14% | 0.144 | 26% | 0.264 | C | S | . | . | G | 310 helix | trans | -113.1 | 2.7 | -171.3 | 60.1 | 159.6 | 0 | 0 | 0 | 113.3 | V92 I95 A96 R99 S131 I132 W167 | V92-I134 HydrophobicContact CB-CD1 4.29Å; V92-I134 HydrophobicContact CG1-CD1 3.86Å; V92-I134 HydrophobicContact CG2-CD1 4.49Å; V92-I134 WeakPolarHBondContact O-CD1 3.41Å; I95-I134 HydrophobicContact CB-CD1 4.22Å; I95-I134 HydrophobicContact CG2-CD1 3.96Å; I95-I134 HydrophobicContact CG2-CG1 4.22Å; I95-I134 WeakPolarHBondContact CG2-O 3.37Å; A96-I134 HydrophobicContact CB-CB 3.92Å; A96-I134 HydrophobicContact CB-CG2 3.73Å; R99-I134 WeakPolarHBondContact CB-O 3.37Å; S131-I134 PolarHBondContact O-N 2.86Å; I132-I134 VanDerWaalsContact C-N 3.3Å; I132-I134 PolarHBondContact O-N 2.94Å; I134-W167 HydrophobicContact CD1-CZ3 4.2Å |
| 135 | T | 98.4 | Very high | 96.6 | Very high | 8 Ų | 8 | 57.9 Ų | 57.9 | 5% | 0.049 | 29% | 0.285 | C | S | . | . | S | Bend | trans | -113.9 | 163.5 | 176 | 57.3 | 0 | 0 | 0 | 0 | 111.4 | I95 R99 S131 H137 W167 | I95-T135 HydrophobicContact CG2-CG2 3.57Å; R99-T135 PolarHBondContact NE-O 3.36Å; R99-T135 VanDerWaalsContact NE-O 3.15Å; S131-T135 WeakPolarHBondContact O-CB 3.26Å; S131-T135 WeakPolarHBondContact O-CG2 3.39Å; S131-T135 PolarHBondContact O-N 3.03Å; S131-T135 PolarHBondContact O-OG1 3.03Å; T135-H137 WeakPolarHBondContact CB-O 3.45Å; T135-H137 PolarHBondContact OG1-O 2.87Å; T135-W167 HydrophobicContact CG2-CB 3.83Å; T135-W167 HydrophobicContact CG2-CE3 4.17Å |
| 136 | K | 97.7 | Very high | 96.6 | Very high | 60 Ų | 60 | 59.2 Ų | 59.2 | 26% | 0.261 | 29% | 0.289 | S | S | . | . | S | Bend | trans | -74.8 | -38.6 | 163.1 | -177.7 | 173.8 | 179.7 | 175.7 | 0 | 110.3 | I157 S160 R162 P165 | K136-I157 HydrophobicContact CD-CG2 3.79Å; K136-I157 VanDerWaalsContact CE-O 3.29Å; K136-I157 WeakPolarHBondContact CE-O 3.3Å; K136-I157 HydrophobicContact CG-CG2 3.93Å; K136-I157 PolarHBondContact NZ-O 3.47Å; K136-S160 PolarHBondContact NZ-O 2.95Å; K136-R162 PolarHBondContact NZ-O 3.44Å; K136-P165 WeakPolarHBondContact CB-O 3.41Å; K136-P165 PolarHBondContact N-O 3.12Å |
| 137 | H | 98.1 | Very high | 96.6 | Very high | 73 Ų | 73 | 54.2 Ų | 54.2 | 34% | 0.338 | 26% | 0.262 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -158 | 160.9 | 172.8 | -158.9 | 45.2 | 0 | 0 | 0 | 110.1 | T135 Y139 I157 V166 W167 | T135-H137 WeakPolarHBondContact CB-O 3.45Å; T135-H137 PolarHBondContact OG1-O 2.87Å; H137-Y139 AromaticContact CD2-CE1 3.96Å; H137-Y139 AromaticContact CD2-CE2 3.42Å; H137-Y139 VanDerWaalsContact CD2-CE2 3.42Å; H137-Y139 WeakPolarHBondContact CD2-CE2 3.3Å; H137-Y139 AromaticContact CD2-CZ 3.29Å; H137-Y139 PolarHBondContact CD2-OH 2.88Å; H137-Y139 VanDerWaalsContact CD2-OH 3.29Å; H137-Y139 AromaticContact NE2-CE1 3.75Å; H137-Y139 AromaticContact NE2-CZ 3.54Å; H137-I157 HydrophobicContact CB-CD1 4.36Å; H137-I157 HydrophobicContact CB-CG2 3.99Å; H137-V166 HydrophobicContact CB-CG1 4.46Å; H137-V166 HydrophobicContact CB-CG2 4.41Å; H137-V166 VanDerWaalsContact O-CA 3.28Å; H137-V166 WeakPolarHBondContact O-CA 3.44Å; H137-W167 PolarHBondContact O-N 2.87Å; H137-W167 VanDerWaalsContact O-N 3.14Å |
| 138 | N | 98.1 | Very high | 96.6 | Very high | 10 Ų | 10 | 54.7 Ų | 54.7 | 5% | 0.053 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.6 | 155.7 | 176.4 | 63.4 | -9.3 | 0 | 0 | 0 | 111 | Y128 S131 I132 W167 | Y128-N138 PolarHBondContact O-ND2 3.03Å; S131-N138 PolarHBondContact OG-ND2 3.29Å; I132-N138 WeakPolarHBondContact CG1-ND2 3.3Å; I132-N138 PolarHBondContact N-ND2 3.24Å; N138-W167 CarbonylContact C-O 3.55Å; N138-W167 WeakPolarHBondContact CA-O 3.45Å; N138-W167 HydrophobicContact CB-CB 4.18Å |
| 139 | Y | 98.3 | Very high | 96.6 | Very high | 40 Ų | 40 | 55 Ų | 55 | 16% | 0.157 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.1 | 140.7 | 180 | -66.3 | -84.7 | 0 | 0 | 0 | 109.9 | H137 V150 D153 A154 I157 V166 W167 I168 D169 | H137-Y139 AromaticContact CD2-CE1 3.96Å; H137-Y139 AromaticContact CD2-CE2 3.42Å; H137-Y139 VanDerWaalsContact CD2-CE2 3.42Å; H137-Y139 WeakPolarHBondContact CD2-CE2 3.3Å; H137-Y139 AromaticContact CD2-CZ 3.29Å; H137-Y139 PolarHBondContact CD2-OH 2.88Å; H137-Y139 VanDerWaalsContact CD2-OH 3.29Å; H137-Y139 AromaticContact NE2-CE1 3.75Å; H137-Y139 AromaticContact NE2-CZ 3.54Å; Y139-V150 HydrophobicContact CD1-CB 4.43Å; Y139-V150 HydrophobicContact CD1-CG1 3.86Å; Y139-V150 HydrophobicContact CD1-CG2 3.9Å; Y139-V150 HydrophobicContact CD2-CG1 3.78Å; Y139-V150 HydrophobicContact CE1-CG1 4.4Å; Y139-V150 HydrophobicContact CE1-CG2 4.24Å; Y139-V150 HydrophobicContact CE2-CG1 4.32Å; Y139-V150 HydrophobicContact CG-CG1 3.51Å; Y139-V150 HydrophobicContact CG-CG2 4.4Å; Y139-D153 WeakPolarHBondContact OH-CB 3.37Å; Y139-A154 HydrophobicContact CE2-CB 4.3Å; Y139-I157 WeakPolarHBondContact OH-CD1 2.9Å; Y139-V166 HydrophobicContact CD2-CG1 4.04Å; Y139-V166 HydrophobicContact CE2-CG1 4Å; Y139-W167 PolarHBondContact N-O 2.9Å; Y139-I168 HydrophobicContact CD2-CG1 4.5Å; Y139-D169 PolarHBondContact O-N 2.78Å |
| 140 | L | 97.7 | Very high | 96.6 | Very high | 34 Ų | 34 | 54.3 Ų | 54.3 | 18% | 0.178 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.7 | 111.6 | 159.1 | 171.1 | 62.9 | 0 | 0 | 0 | 107 | I117 Y128 R142 D169 P171 | I117-L140 HydrophobicContact CD1-CD1 4.18Å; I117-L140 HydrophobicContact CD1-CD2 4.3Å; Y128-L140 HydrophobicContact CD2-CB 4.03Å; L140-R142 PolarHBondContact O-N 3.04Å; L140-D169 HydrophobicContact CD1-CB 4.26Å; L140-P171 HydrophobicContact CD1-CG 4.13Å |
| 141 | V | 97.7 | Very high | 96.7 | Very high | 0 Ų | 0 | 51.4 Ų | 51.4 | 0% | 0 | 25% | 0.246 | C | C | . | . | trans | -77.3 | 111.4 | -177 | -172.1 | 0 | 0 | 0 | 0 | 109.3 | H143 E146 L147 V150 I168 D169 I170 P171 V174 | V141-H143 WeakPolarHBondContact CG1-O 3.35Å; V141-E146 VanDerWaalsContact C-OE1 3.28Å; V141-E146 WeakPolarHBondContact CA-OE1 3.41Å; V141-E146 HydrophobicContact CG1-CG 3.98Å; V141-E146 WeakPolarHBondContact CG1-OE1 3.45Å; V141-L147 HydrophobicContact CG1-CB 4.16Å; V141-L147 HydrophobicContact CG1-CD1 4.28Å; V141-L147 HydrophobicContact CG2-CD1 4.25Å; V141-V150 HydrophobicContact CG2-CG1 4.04Å; V141-I168 HydrophobicContact CG2-CG2 3.8Å; V141-D169 PolarHBondContact N-O 2.89Å; V141-I170 HydrophobicContact CB-CG2 4.44Å; V141-I170 HydrophobicContact CG2-CG1 4.07Å; V141-P171 WeakPolarHBondContact O-CD 3.4Å; V141-P171 VanDerWaalsContact O-CG 3.25Å; V141-P171 WeakPolarHBondContact O-CG 3.4Å; V141-V174 HydrophobicContact CG1-CG1 3.84Å | ||
| 142 | R | 95.1 | Very high | 96.6 | Very high | 166 Ų | 166 | 52.3 Ų | 52.3 | 63% | 0.626 | 25% | 0.252 | S | S | * | . | trans | -91.4 | -30.1 | -176.9 | -65.2 | -179.6 | 179.6 | -97.4 | -2.6 | 113.3 | L140 E146 | L140-R142 PolarHBondContact O-N 3.04Å; R142-E146 PolarHBondContact N-OE1 3.23Å | ||
| 143 | H | 95.8 | Very high | 96.6 | Very high | 119 Ų | 119 | 49.1 Ų | 49.1 | 55% | 0.551 | 24% | 0.236 | S | C | * | . | S | Bend | trans | -134.8 | 151 | -175.4 | -60.2 | -62.9 | 0 | 0 | 0 | 110.7 | V141 E145 E146 | V141-H143 WeakPolarHBondContact CG1-O 3.35Å; H143-E145 VanDerWaalsContact C-N 3.27Å; H143-E145 PolarHBondContact O-N 3.04Å; H143-E146 HydrophobicContact CB-CG 4.28Å; H143-E146 PolarHBondContact N-OE1 3.47Å; H143-E146 WeakPolarHBondContact O-CG 3.35Å |
| 144 | I | 96.1 | Very high | 96.7 | Very high | 12 Ų | 12 | 44.2 Ų | 44.2 | 6% | 0.062 | 20% | 0.204 | C | C | . | . | G | 310 helix | trans | -69.8 | -29.1 | -177.7 | -177.5 | 56.6 | 0 | 0 | 0 | 111.9 | E146 L147 V174 A177 F179 | I144-E146 VanDerWaalsContact C-N 3.28Å; I144-E146 PolarHBondContact O-N 2.97Å; I144-L147 HydrophobicContact CD1-CB 4.28Å; I144-L147 HydrophobicContact CD1-CD2 3.68Å; I144-L147 WeakPolarHBondContact O-CB 3.04Å; I144-L147 PolarHBondContact O-N 3.46Å; I144-V174 HydrophobicContact CB-CG1 4.45Å; I144-V174 HydrophobicContact CD1-CG1 4.3Å; I144-A177 HydrophobicContact CB-CB 3.94Å; I144-A177 HydrophobicContact CG1-CB 4.21Å; I144-A177 HydrophobicContact CG2-CB 4.11Å; I144-F179 HydrophobicContact CD1-CD1 3.79Å; I144-F179 HydrophobicContact CD1-CE1 3.89Å; I144-F179 HydrophobicContact CD1-CG 4.5Å; I144-F179 HydrophobicContact CG1-CB 3.94Å; I144-F179 HydrophobicContact CG1-CD1 3.41Å; I144-F179 VanDerWaalsContact CG1-CD1 3.41Å; I144-F179 HydrophobicContact CG1-CE1 4Å; I144-F179 HydrophobicContact CG1-CG 3.71Å; I144-F179 HydrophobicContact CG2-CB 4.17Å |
| 145 | E | 94.4 | Very high | 96.6 | Very high | 136 Ų | 136 | 43 Ų | 43 | 64% | 0.636 | 20% | 0.198 | S | C | * | . | G | 310 helix | trans | -67.7 | -24.5 | -177.2 | -63.5 | 75.7 | -166.3 | 0 | 0 | 113.5 | H143 | H143-E145 VanDerWaalsContact C-N 3.27Å; H143-E145 PolarHBondContact O-N 3.04Å |
| 146 | E | 94.8 | Very high | 96.6 | Very high | 64 Ų | 64 | 47 Ų | 47 | 30% | 0.299 | 21% | 0.212 | S | C | . | . | G | 310 helix | trans | -87.4 | -18.9 | 177.6 | 53.7 | 172.4 | -143.4 | 0 | 0 | 113.2 | V141 R142 H143 I144 Q149 V150 | V141-E146 VanDerWaalsContact C-OE1 3.28Å; V141-E146 WeakPolarHBondContact CA-OE1 3.41Å; V141-E146 HydrophobicContact CG1-CG 3.98Å; V141-E146 WeakPolarHBondContact CG1-OE1 3.45Å; R142-E146 PolarHBondContact N-OE1 3.23Å; H143-E146 HydrophobicContact CB-CG 4.28Å; H143-E146 PolarHBondContact N-OE1 3.47Å; H143-E146 WeakPolarHBondContact O-CG 3.35Å; I144-E146 VanDerWaalsContact C-N 3.28Å; I144-E146 PolarHBondContact O-N 2.97Å; E146-Q149 PolarHBondContact O-N 3.24Å; E146-V150 HydrophobicContact CB-CG2 4.43Å; E146-V150 WeakPolarHBondContact O-CG2 3.28Å; E146-V150 PolarHBondContact O-N 3.38Å |
| 147 | L | 96.2 | Very high | 96.6 | Very high | 0 Ų | 0 | 45.5 Ų | 45.5 | 0% | 0 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -52.9 | -44.6 | -176.3 | 179.5 | 65 | 0 | 0 | 0 | 113 | F18 I19 V141 I144 Q149 V150 M151 I170 | F18-L147 HydrophobicContact CD1-CD2 4.02Å; F18-L147 HydrophobicContact CD1-CG 4.05Å; F18-L147 HydrophobicContact CE1-CG 4.39Å; I19-L147 HydrophobicContact CD1-CD1 4.42Å; I19-L147 HydrophobicContact CD1-CD2 4.24Å; I19-L147 HydrophobicContact CG1-CD1 4.2Å; I19-L147 HydrophobicContact CG1-CD2 4.05Å; I19-L147 HydrophobicContact CG1-CG 4.5Å; V141-L147 HydrophobicContact CG1-CB 4.16Å; V141-L147 HydrophobicContact CG1-CD1 4.28Å; V141-L147 HydrophobicContact CG2-CD1 4.25Å; I144-L147 HydrophobicContact CD1-CB 4.28Å; I144-L147 HydrophobicContact CD1-CD2 3.68Å; I144-L147 WeakPolarHBondContact O-CB 3.04Å; I144-L147 PolarHBondContact O-N 3.46Å; L147-Q149 PolarHBondContact O-N 2.78Å; L147-V150 PolarHBondContact O-N 2.81Å; L147-M151 HydrophobicContact CD1-CG 3.88Å; L147-M151 HydrophobicContact CD1-SD 4.35Å; L147-M151 HydrophobicContact CG-CG 4.32Å; L147-M151 WeakPolarHBondContact O-CB 3.44Å; L147-M151 WeakPolarHBondContact O-CG 3.15Å; L147-M151 PolarHBondContact O-N 3.47Å; L147-I170 HydrophobicContact CD1-CD1 3.94Å |
| 148 | P | 94.9 | Very high | 96.6 | Very high | 12 Ų | 12 | 42 Ų | 42 | 8% | 0.078 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -57.8 | -43.2 | 175.8 | -25.1 | 35.3 | 0 | 0 | 0 | 114.3 | F18 S152 F179 I181 P185 | F18-P148 HydrophobicContact CD1-CG 4.46Å; F18-P148 VanDerWaalsContact CE1-CA 3.47Å; F18-P148 HydrophobicContact CE1-CB 3.92Å; F18-P148 HydrophobicContact CE1-CG 3.89Å; F18-P148 HydrophobicContact CE2-CB 4.23Å; F18-P148 HydrophobicContact CE2-CG 4.14Å; F18-P148 HydrophobicContact CZ-CB 3.51Å; F18-P148 HydrophobicContact CZ-CG 3.71Å; P148-S152 PolarHBondContact O-N 3.02Å; P148-F179 HydrophobicContact CG-CE2 3.79Å; P148-F179 HydrophobicContact CG-CZ 3.96Å; P148-I181 HydrophobicContact CB-CD1 3.99Å; P148-I181 HydrophobicContact CG-CD1 3.8Å; P148-P185 HydrophobicContact CB-CG 3.85Å |
| 149 | Q | 94.3 | Very high | 96.4 | Very high | 107 Ų | 107 | 43.5 Ų | 43.5 | 50% | 0.5 | 20% | 0.197 | S | C | . | . | H | α-helix | trans | -72.3 | -43.1 | -179 | -175.7 | 58.6 | 42.8 | 0 | 0 | 111 | E146 L147 M151 S152 D153 | E146-Q149 PolarHBondContact O-N 3.24Å; L147-Q149 PolarHBondContact O-N 2.78Å; Q149-M151 PolarHBondContact O-N 3.41Å; Q149-S152 PolarHBondContact O-N 3.32Å; Q149-D153 PolarHBondContact NE2-OD1 2.98Å; Q149-D153 PolarHBondContact NE2-OD2 3.12Å; Q149-D153 WeakPolarHBondContact O-CB 3.08Å; Q149-D153 PolarHBondContact O-N 3.41Å |
| 150 | V | 96.8 | Very high | 96.3 | Very high | 12 Ų | 12 | 42.1 Ų | 42.1 | 7% | 0.073 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -58.2 | -46.6 | 176.7 | 168.2 | 0 | 0 | 0 | 0 | 111.2 | Y139 V141 E146 L147 S152 D153 A154 I168 | Y139-V150 HydrophobicContact CD1-CB 4.43Å; Y139-V150 HydrophobicContact CD1-CG1 3.86Å; Y139-V150 HydrophobicContact CD1-CG2 3.9Å; Y139-V150 HydrophobicContact CD2-CG1 3.78Å; Y139-V150 HydrophobicContact CE1-CG1 4.4Å; Y139-V150 HydrophobicContact CE1-CG2 4.24Å; Y139-V150 HydrophobicContact CE2-CG1 4.32Å; Y139-V150 HydrophobicContact CG-CG1 3.51Å; Y139-V150 HydrophobicContact CG-CG2 4.4Å; V141-V150 HydrophobicContact CG2-CG1 4.04Å; E146-V150 HydrophobicContact CB-CG2 4.43Å; E146-V150 WeakPolarHBondContact O-CG2 3.28Å; E146-V150 PolarHBondContact O-N 3.38Å; L147-V150 PolarHBondContact O-N 2.81Å; V150-S152 PolarHBondContact O-N 3.1Å; V150-D153 PolarHBondContact O-N 3.22Å; V150-A154 VanDerWaalsContact O-CB 3.26Å; V150-A154 WeakPolarHBondContact O-CB 3.28Å; V150-A154 PolarHBondContact O-N 2.84Å; V150-I168 HydrophobicContact CG1-CG2 3.8Å |
| 151 | M | 96.9 | Very high | 96.2 | Very high | 0 Ų | 0 | 41.8 Ų | 41.8 | 0% | 0 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -62 | -44.4 | 178.2 | -69.8 | -66.8 | -63.9 | 0 | 0 | 111.6 | F18 I19 F22 L23 I108 L147 Q149 A154 F155 I168 | F18-M151 HydrophobicContact CE1-CG 4.44Å; I19-M151 HydrophobicContact CG2-CE 4.21Å; F22-M151 HydrophobicContact CD1-CB 3.8Å; F22-M151 HydrophobicContact CD1-CE 3.73Å; F22-M151 HydrophobicContact CD2-CB 4.49Å; F22-M151 HydrophobicContact CE1-CB 3.71Å; F22-M151 HydrophobicContact CE1-CE 4.29Å; F22-M151 HydrophobicContact CE2-CB 4.42Å; F22-M151 HydrophobicContact CG-CB 4.19Å; F22-M151 HydrophobicContact CZ-CB 4.04Å; L23-M151 HydrophobicContact CD2-CE 4.12Å; L23-M151 HydrophobicContact CG-CE 4.46Å; I108-M151 HydrophobicContact CD1-CE 3.99Å; I108-M151 HydrophobicContact CD1-SD 4.47Å; L147-M151 HydrophobicContact CD1-CG 3.88Å; L147-M151 HydrophobicContact CD1-SD 4.35Å; L147-M151 HydrophobicContact CG-CG 4.32Å; L147-M151 WeakPolarHBondContact O-CB 3.44Å; L147-M151 WeakPolarHBondContact O-CG 3.15Å; L147-M151 PolarHBondContact O-N 3.47Å; Q149-M151 PolarHBondContact O-N 3.41Å; M151-A154 PolarHBondContact O-N 2.92Å; M151-F155 HydrophobicContact CE-CE2 4.42Å; M151-F155 WeakPolarHBondContact O-CD2 3.23Å; M151-F155 PolarHBondContact O-N 3.01Å; M151-I168 HydrophobicContact SD-CD1 3.54Å; M151-I168 VanDerWaalsContact SD-CD1 3.54Å |
| 152 | S | 95.8 | Very high | 96.2 | Very high | 19 Ų | 19 | 43.7 Ų | 43.7 | 13% | 0.133 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -61.5 | -48 | 175.9 | -174 | 0 | 0 | 0 | 0 | 112.5 | P148 Q149 V150 A154 F155 R156 | P148-S152 PolarHBondContact O-N 3.02Å; Q149-S152 PolarHBondContact O-N 3.32Å; V150-S152 PolarHBondContact O-N 3.1Å; S152-A154 VanDerWaalsContact C-N 3.34Å; S152-A154 PolarHBondContact O-N 2.96Å; S152-F155 PolarHBondContact O-N 2.92Å; S152-R156 WeakPolarHBondContact O-CB 3.46Å; S152-R156 PolarHBondContact O-N 3.04Å |
| 153 | D | 96.8 | Very high | 96.3 | Very high | 29 Ų | 29 | 37.7 Ų | 37.7 | 16% | 0.155 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -65.1 | -38.1 | 179 | -75.8 | -30.5 | 0 | 0 | 0 | 112.2 | Y139 Q149 V150 R156 I157 | Y139-D153 WeakPolarHBondContact OH-CB 3.37Å; Q149-D153 PolarHBondContact NE2-OD1 2.98Å; Q149-D153 PolarHBondContact NE2-OD2 3.12Å; Q149-D153 WeakPolarHBondContact O-CB 3.08Å; Q149-D153 PolarHBondContact O-N 3.41Å; V150-D153 PolarHBondContact O-N 3.22Å; D153-R156 PolarHBondContact O-N 2.77Å; D153-R156 IonicContact OD1-CZ 3.1Å; D153-R156 IonicContact OD1-NE 3.5Å; D153-R156 PolarHBondContact OD1-NE 3.29Å; D153-R156 IonicContact OD1-NH2 3.79Å; D153-R156 PolarHBondContact OD1-NH2 3.09Å; D153-I157 HydrophobicContact CB-CD1 4.33Å; D153-I157 VanDerWaalsContact O-CB 3.24Å; D153-I157 WeakPolarHBondContact O-CB 3.42Å; D153-I157 WeakPolarHBondContact O-CD1 3.21Å; D153-I157 WeakPolarHBondContact O-CG1 3.49Å; D153-I157 PolarHBondContact O-N 2.86Å |
| 154 | A | 97.9 | Very high | 96.4 | Very high | 0 Ų | 0 | 32 Ų | 32 | 0% | 0 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -60.5 | -48.4 | 178.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | I106 Y139 V150 M151 S152 I157 A158 V166 I168 | I106-A154 HydrophobicContact CD1-CB 4.28Å; Y139-A154 HydrophobicContact CE2-CB 4.3Å; V150-A154 VanDerWaalsContact O-CB 3.26Å; V150-A154 WeakPolarHBondContact O-CB 3.28Å; V150-A154 PolarHBondContact O-N 2.84Å; M151-A154 PolarHBondContact O-N 2.92Å; S152-A154 VanDerWaalsContact C-N 3.34Å; S152-A154 PolarHBondContact O-N 2.96Å; A154-I157 PolarHBondContact O-N 2.86Å; A154-A158 WeakPolarHBondContact O-CB 3.25Å; A154-A158 PolarHBondContact O-N 3.03Å; A154-V166 HydrophobicContact CB-CB 4.25Å; A154-V166 HydrophobicContact CB-CG1 3.61Å; A154-I168 HydrophobicContact CB-CD1 3.44Å; A154-I168 VanDerWaalsContact CB-CD1 3.44Å; A154-I168 HydrophobicContact CB-CG1 3.91Å |
| 155 | F | 97.8 | Very high | 96.5 | Very high | 3 Ų | 3 | 31.4 Ų | 31.4 | 1% | 0.013 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -63.2 | -46.1 | 176 | -86.8 | -99.1 | 0 | 0 | 0 | 112 | F22 L23 Q26 I28 P77 V79 I106 M151 S152 I157 A158 Q159 A188 | F22-F155 AromaticContact CE1-CD2 3.81Å; F22-F155 HydrophobicContact CE1-CD2 3.81Å; F22-F155 HydrophobicContact CE1-CE2 4.03Å; L23-F155 HydrophobicContact CD2-CE2 3.75Å; L23-F155 HydrophobicContact CD2-CZ 3.54Å; Q26-F155 HydrophobicContact CB-CD1 4.25Å; Q26-F155 HydrophobicContact CB-CE1 3.94Å; Q26-F155 HydrophobicContact CB-CZ 4.3Å; Q26-F155 HydrophobicContact CG-CD1 4.03Å; Q26-F155 HydrophobicContact CG-CD2 4.35Å; Q26-F155 HydrophobicContact CG-CE1 4.03Å; Q26-F155 HydrophobicContact CG-CE2 4.33Å; Q26-F155 HydrophobicContact CG-CG 4.19Å; Q26-F155 HydrophobicContact CG-CZ 4.18Å; I28-F155 HydrophobicContact CD1-CE1 4.07Å; I28-F155 HydrophobicContact CD1-CZ 4.42Å; I28-F155 HydrophobicContact CG1-CE1 4.15Å; I28-F155 HydrophobicContact CG1-CZ 4.13Å; P77-F155 HydrophobicContact CB-CD1 4.08Å; P77-F155 HydrophobicContact CB-CE1 4.13Å; P77-F155 HydrophobicContact CG-CD1 4.26Å; V79-F155 HydrophobicContact CG2-CZ 3.98Å; I106-F155 HydrophobicContact CB-CE2 4.41Å; I106-F155 HydrophobicContact CB-CZ 4.42Å; I106-F155 HydrophobicContact CD1-CD2 4.19Å; I106-F155 HydrophobicContact CD1-CE2 4.46Å; I106-F155 HydrophobicContact CD1-CG 4.32Å; I106-F155 HydrophobicContact CG1-CD1 4.26Å; I106-F155 HydrophobicContact CG1-CD2 4.07Å; I106-F155 HydrophobicContact CG1-CE1 4.06Å; I106-F155 HydrophobicContact CG1-CE2 3.88Å; I106-F155 HydrophobicContact CG1-CG 4.27Å; I106-F155 HydrophobicContact CG1-CZ 3.87Å; I106-F155 HydrophobicContact CG2-CE2 4.04Å; I106-F155 HydrophobicContact CG2-CZ 4.47Å; M151-F155 HydrophobicContact CE-CE2 4.42Å; M151-F155 WeakPolarHBondContact O-CD2 3.23Å; M151-F155 PolarHBondContact O-N 3.01Å; S152-F155 PolarHBondContact O-N 2.92Å; F155-I157 PolarHBondContact O-N 2.86Å; F155-A158 PolarHBondContact O-N 3.05Å; F155-Q159 VanDerWaalsContact O-CG 3.31Å; F155-Q159 WeakPolarHBondContact O-CG 3.37Å; F155-Q159 PolarHBondContact O-N 3.2Å; F155-A188 HydrophobicContact CB-CB 3.63Å |
| 156 | R | 97.1 | Very high | 96.7 | Very high | 91 Ų | 91 | 25 Ų | 25 | 34% | 0.343 | 13% | 0.128 | S | C | . | . | H | α-helix | trans | -57.3 | -48.2 | 176 | -179.6 | 177.3 | 63.4 | 74.7 | 1.5 | 111.2 | S152 D153 S160 A188 E189 | S152-R156 WeakPolarHBondContact O-CB 3.46Å; S152-R156 PolarHBondContact O-N 3.04Å; D153-R156 PolarHBondContact O-N 2.77Å; D153-R156 IonicContact OD1-CZ 3.1Å; D153-R156 IonicContact OD1-NE 3.5Å; D153-R156 PolarHBondContact OD1-NE 3.29Å; D153-R156 IonicContact OD1-NH2 3.79Å; D153-R156 PolarHBondContact OD1-NH2 3.09Å; R156-S160 WeakPolarHBondContact O-CB 3.49Å; R156-S160 PolarHBondContact O-N 3.39Å; R156-S160 PolarHBondContact O-OG 2.95Å; R156-A188 HydrophobicContact CB-CB 4.45Å; R156-E189 WeakPolarHBondContact CG-O 3.4Å |
| 157 | I | 97.4 | Very high | 96.9 | Very high | 28 Ų | 28 | 22 Ų | 22 | 14% | 0.144 | 11% | 0.114 | C | C | . | . | H | α-helix | trans | -64.6 | -46 | -179.8 | -70.5 | 165.7 | 0 | 0 | 0 | 110.5 | K136 H137 Y139 D153 A154 F155 Q159 S160 V166 | K136-I157 HydrophobicContact CD-CG2 3.79Å; K136-I157 VanDerWaalsContact CE-O 3.29Å; K136-I157 WeakPolarHBondContact CE-O 3.3Å; K136-I157 HydrophobicContact CG-CG2 3.93Å; K136-I157 PolarHBondContact NZ-O 3.47Å; H137-I157 HydrophobicContact CB-CD1 4.36Å; H137-I157 HydrophobicContact CB-CG2 3.99Å; Y139-I157 WeakPolarHBondContact OH-CD1 2.9Å; D153-I157 HydrophobicContact CB-CD1 4.33Å; D153-I157 VanDerWaalsContact O-CB 3.24Å; D153-I157 WeakPolarHBondContact O-CB 3.42Å; D153-I157 WeakPolarHBondContact O-CD1 3.21Å; D153-I157 WeakPolarHBondContact O-CG1 3.49Å; D153-I157 PolarHBondContact O-N 2.86Å; A154-I157 PolarHBondContact O-N 2.86Å; F155-I157 PolarHBondContact O-N 2.86Å; I157-Q159 VanDerWaalsContact C-N 3.25Å; I157-Q159 PolarHBondContact O-N 3.28Å; I157-S160 PolarHBondContact O-N 3.33Å; I157-V166 HydrophobicContact CB-CG2 4.03Å; I157-V166 HydrophobicContact CG2-CG2 3.66Å |
| 158 | A | 97.9 | Very high | 97 | Very high | 0 Ų | 0 | 22 Ų | 22 | 0% | 0 | 11% | 0.114 | C | C | . | . | H | α-helix | trans | -58.2 | -36.5 | -177 | 0 | 0 | 0 | 0 | 0 | 113 | I106 A154 F155 P163 G164 V166 | I106-A158 HydrophobicContact CD1-CB 3.57Å; A154-A158 WeakPolarHBondContact O-CB 3.25Å; A154-A158 PolarHBondContact O-N 3.03Å; F155-A158 PolarHBondContact O-N 3.05Å; A158-P163 WeakPolarHBondContact O-CA 3.3Å; A158-P163 WeakPolarHBondContact O-CB 3.41Å; A158-G164 WeakPolarHBondContact CA-O 3.33Å; A158-G164 WeakPolarHBondContact CB-O 3.46Å; A158-G164 PolarHBondContact O-N 3.25Å; A158-V166 HydrophobicContact CB-CG2 3.99Å |
| 159 | Q | 95.6 | Very high | 97.1 | Very high | 42 Ų | 42 | 21.6 Ų | 21.6 | 20% | 0.196 | 11% | 0.112 | C | C | . | . | H | α-helix | trans | -96.9 | -18.5 | -176.6 | 72.7 | -166.9 | 8.6 | 0 | 0 | 115.6 | P77 F155 I157 A188 E189 K190 | P77-Q159 HydrophobicContact CG-CB 4.04Å; F155-Q159 VanDerWaalsContact O-CG 3.31Å; F155-Q159 WeakPolarHBondContact O-CG 3.37Å; F155-Q159 PolarHBondContact O-N 3.2Å; I157-Q159 VanDerWaalsContact C-N 3.25Å; I157-Q159 PolarHBondContact O-N 3.28Å; Q159-A188 PolarHBondContact NE2-O 3.49Å; Q159-E189 PolarHBondContact NE2-O 2.89Å; Q159-K190 HydrophobicContact CG-CB 4.24Å; Q159-K190 HydrophobicContact CG-CG 4.37Å |
| 160 | S | 95.5 | Very high | 97.3 | Very high | 11 Ų | 11 | 16.5 Ų | 16.5 | 8% | 0.077 | 9% | 0.088 | C | C | . | . | S | Bend | trans | -82.5 | 154.5 | -176 | -59.1 | 0 | 0 | 0 | 0 | 113.3 | K136 R156 I157 R162 A191 | K136-S160 PolarHBondContact NZ-O 2.95Å; R156-S160 WeakPolarHBondContact O-CB 3.49Å; R156-S160 PolarHBondContact O-N 3.39Å; R156-S160 PolarHBondContact O-OG 2.95Å; I157-S160 PolarHBondContact O-N 3.33Å; S160-R162 PolarHBondContact O-N 2.98Å; S160-A191 WeakPolarHBondContact OG-CB 3.48Å; S160-A191 PolarHBondContact OG-N 2.91Å |
| 161 | G | 95.8 | Very high | 97.4 | Very high | 26 Ų | 26 | 16 Ų | 16 | 27% | 0.268 | 9% | 0.085 | S | C | . | . | S | Bend | trans | 55.9 | -136.7 | 179.6 | 0 | 0 | 0 | 0 | 0 | 111.9 | P163 | G161-P163 WeakPolarHBondContact O-CD 3.43Š|
| 162 | R | 96.5 | Very high | 97.4 | Very high | 40 Ų | 40 | 19.7 Ų | 19.7 | 15% | 0.151 | 10% | 0.101 | C | C | . | . | S | Bend | trans | -71.2 | 116.9 | 165.8 | -178.8 | 174.5 | 177.7 | 179.4 | 2.7 | 108.9 | L100 S102 K136 S160 I308 D309 E312 | L100-R162 PolarHBondContact O-NH2 2.92Å; S102-R162 PolarHBondContact OG-NE 3.27Å; S102-R162 PolarHBondContact OG-NH2 3.42Å; K136-R162 PolarHBondContact NZ-O 3.44Å; S160-R162 PolarHBondContact O-N 2.98Å; R162-I308 HydrophobicContact CB-CG2 3.97Å; R162-D309 HydrophobicContact CB-CB 4.17Å; R162-D309 IonicContact NH1-OD2 2.74Å; R162-E312 IonicContact CZ-OE1 3.51Å; R162-E312 IonicContact NH1-OE1 2.68Å; R162-E312 PolarHBondContact NH1-OE1 3.01Å |
| 163 | P | 97.4 | Very high | 97.5 | Very high | 40 Ų | 40 | 21.7 Ų | 21.7 | 26% | 0.26 | 11% | 0.11 | S | C | . | . | trans | -63.9 | 160.7 | -178 | -17.4 | 30.1 | 0 | 0 | 0 | 111.7 | S102 P104 A158 G161 | S102-P163 CarbonylContact C-O 3.48Å; S102-P163 WeakPolarHBondContact CA-O 3.22Å; S102-P163 WeakPolarHBondContact CB-O 3.49Å; S102-P163 WeakPolarHBondContact O-CB 3.49Å; P104-P163 HydrophobicContact CB-CB 4.07Å; P104-P163 HydrophobicContact CG-CB 4.29Å; A158-P163 WeakPolarHBondContact O-CA 3.3Å; A158-P163 WeakPolarHBondContact O-CB 3.41Å; G161-P163 WeakPolarHBondContact O-CD 3.43Å | ||
| 164 | G | 98.1 | Very high | 97.6 | Very high | 0 Ų | 0 | 20.6 Ų | 20.6 | 0% | 0 | 10% | 0.104 | C | C | . | . | trans | 178.5 | 173 | -179.6 | 0 | 0 | 0 | 0 | 0 | 113.1 | I103 A158 | I103-G164 CarbonylContact O-C 3.58Å; I103-G164 WeakPolarHBondContact O-CA 3.5Å; A158-G164 WeakPolarHBondContact CA-O 3.33Å; A158-G164 WeakPolarHBondContact CB-O 3.46Å; A158-G164 PolarHBondContact O-N 3.25Å | ||
| 165 | P | 98.7 | Very high | 97.6 | Very high | 0 Ų | 0 | 20.6 Ų | 20.6 | 0% | 0 | 10% | 0.104 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -74.7 | 140 | -176.7 | 28.6 | -34.3 | 0 | 0 | 0 | 112.1 | I95 A98 R99 L105 K136 | I95-P165 HydrophobicContact CG2-CB 4.01Å; I95-P165 HydrophobicContact CG2-CG 4.02Å; I95-P165 WeakPolarHBondContact O-CG 3.28Å; A98-P165 HydrophobicContact CB-CB 4.18Å; A98-P165 HydrophobicContact CB-CG 4.06Å; R99-P165 VanDerWaalsContact CA-CD 3.49Å; R99-P165 HydrophobicContact CB-CG 3.79Å; L105-P165 HydrophobicContact CB-CB 4.07Å; L105-P165 HydrophobicContact CD2-CB 4.4Å; L105-P165 CarbonylContact O-C 3.57Å; L105-P165 VanDerWaalsContact O-CA 3.23Å; L105-P165 WeakPolarHBondContact O-CA 3.33Å; K136-P165 WeakPolarHBondContact CB-O 3.41Å; K136-P165 PolarHBondContact N-O 3.12Å |
| 166 | V | 98.8 | Very high | 97.6 | Very high | 0 Ų | 0 | 24 Ų | 24 | 0% | 0 | 13% | 0.125 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.2 | 130.5 | 166.5 | -179.1 | 0 | 0 | 0 | 0 | 109.5 | L105 I106 C107 H137 Y139 A154 I157 A158 | L105-V166 PolarHBondContact O-N 3.14Å; I106-V166 HydrophobicContact CD1-CB 4.22Å; C107-V166 PolarHBondContact N-O 3.39Å; H137-V166 HydrophobicContact CB-CG1 4.46Å; H137-V166 HydrophobicContact CB-CG2 4.41Å; H137-V166 VanDerWaalsContact O-CA 3.28Å; H137-V166 WeakPolarHBondContact O-CA 3.44Å; Y139-V166 HydrophobicContact CD2-CG1 4.04Å; Y139-V166 HydrophobicContact CE2-CG1 4Å; A154-V166 HydrophobicContact CB-CB 4.25Å; A154-V166 HydrophobicContact CB-CG1 3.61Å; I157-V166 HydrophobicContact CB-CG2 4.03Å; I157-V166 HydrophobicContact CG2-CG2 3.66Å; A158-V166 HydrophobicContact CB-CG2 3.99Å |
| 167 | W | 98.5 | Very high | 97.7 | Very high | 2 Ų | 2 | 21.2 Ų | 21.2 | 1% | 0.008 | 12% | 0.122 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.7 | 120.3 | -178.2 | -162.8 | -28.8 | 0 | 0 | 0 | 110.9 | A88 L91 V92 I95 C107 T109 T127 I130 I134 T135 H137 N138 Y139 | A88-W167 HydrophobicContact CB-CZ2 3.97Å; A88-W167 VanDerWaalsContact O-CH2 3.23Å; A88-W167 WeakPolarHBondContact O-CH2 3.48Å; A88-W167 WeakPolarHBondContact O-CZ2 3.41Å; L91-W167 HydrophobicContact CB-CH2 4.39Å; V92-W167 HydrophobicContact CG2-CH2 4.15Å; V92-W167 HydrophobicContact CG2-CZ3 4.37Å; I95-W167 HydrophobicContact CD1-CD2 3.64Å; I95-W167 HydrophobicContact CD1-CE3 3.2Å; I95-W167 HydrophobicContact CD1-CG 4.45Å; I95-W167 HydrophobicContact CD1-CH2 3.77Å; I95-W167 HydrophobicContact CD1-CZ2 4.12Å; I95-W167 HydrophobicContact CD1-CZ3 3.3Å; I95-W167 HydrophobicContact CG1-CE3 4.41Å; I95-W167 HydrophobicContact CG1-CZ3 4.49Å; I95-W167 HydrophobicContact CG2-CE3 4.15Å; I95-W167 HydrophobicContact CG2-CZ3 4.48Å; C107-W167 HydrophobicContact CB-CB 4.37Å; C107-W167 HydrophobicContact CB-CD2 4.48Å; C107-W167 HydrophobicContact CB-CG 4.1Å; C107-W167 CarbonylContact O-C 3.56Å; C107-W167 WeakPolarHBondContact O-CA 3.39Å; C107-W167 VanDerWaalsContact SG-CD1 3.59Å; C107-W167 VanDerWaalsContact SG-CE2 3.57Å; C107-W167 PolarHBondContact SG-NE1 2.98Å; C107-W167 VanDerWaalsContact SG-NE1 3.43Å; T109-W167 HydrophobicContact CG2-CZ2 3.97Å; T109-W167 PolarHBondContact OG1-NE1 2.95Å; T127-W167 HydrophobicContact CG2-CD2 4.09Å; T127-W167 HydrophobicContact CG2-CH2 4.05Å; T127-W167 HydrophobicContact CG2-CZ2 3.33Å; I130-W167 HydrophobicContact CD1-CH2 4.4Å; I134-W167 HydrophobicContact CD1-CZ3 4.2Å; T135-W167 HydrophobicContact CG2-CB 3.83Å; T135-W167 HydrophobicContact CG2-CE3 4.17Å; H137-W167 PolarHBondContact O-N 2.87Å; H137-W167 VanDerWaalsContact O-N 3.14Å; N138-W167 CarbonylContact C-O 3.55Å; N138-W167 WeakPolarHBondContact CA-O 3.45Å; N138-W167 HydrophobicContact CB-CB 4.18Å; Y139-W167 PolarHBondContact N-O 2.9Å |
| 168 | I | 98.6 | Very high | 97.6 | Very high | 0 Ų | 0 | 23.3 Ų | 23.3 | 0% | 0 | 14% | 0.135 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.5 | 111.9 | 178.7 | -45.4 | 173.8 | 0 | 0 | 0 | 108.6 | I106 C107 I108 T109 Y139 V141 V150 M151 A154 I170 | I106-I168 HydrophobicContact CG2-CD1 4.15Å; C107-I168 PolarHBondContact O-N 3.26Å; I108-I168 WeakPolarHBondContact CA-O 3.14Å; I108-I168 HydrophobicContact CG1-CD1 4.47Å; T109-I168 PolarHBondContact N-O 3.31Å; Y139-I168 HydrophobicContact CD2-CG1 4.5Å; V141-I168 HydrophobicContact CG2-CG2 3.8Å; V150-I168 HydrophobicContact CG1-CG2 3.8Å; M151-I168 HydrophobicContact SD-CD1 3.54Å; M151-I168 VanDerWaalsContact SD-CD1 3.54Å; A154-I168 HydrophobicContact CB-CD1 3.44Å; A154-I168 VanDerWaalsContact CB-CD1 3.44Å; A154-I168 HydrophobicContact CB-CG1 3.91Å; I168-I170 HydrophobicContact CG2-CD1 3.98Å; I168-I170 HydrophobicContact CG2-CG1 3.83Å |
| 169 | D | 97.8 | Very high | 97.5 | Very high | 4 Ų | 4 | 24.3 Ų | 24.3 | 2% | 0.021 | 14% | 0.14 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.4 | 124.8 | 177.2 | -159.4 | 34.3 | 0 | 0 | 0 | 109.9 | T109 Q111 T127 Y139 L140 V141 | T109-D169 WeakPolarHBondContact CB-OD1 3.4Å; T109-D169 PolarHBondContact OG1-OD1 2.88Å; Q111-D169 WeakPolarHBondContact CG-OD2 3.46Å; Q111-D169 PolarHBondContact NE2-OD2 3.19Å; T127-D169 WeakPolarHBondContact CB-OD2 3.37Å; T127-D169 HydrophobicContact CG2-CB 4.47Å; Y139-D169 PolarHBondContact O-N 2.78Å; L140-D169 HydrophobicContact CD1-CB 4.26Å; V141-D169 PolarHBondContact N-O 2.89Å |
| 170 | I | 98.3 | Very high | 97.4 | Very high | 0 Ų | 0 | 27.6 Ų | 27.6 | 0% | 0 | 16% | 0.155 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.4 | 107.9 | -167 | -46.3 | -178.4 | 0 | 0 | 0 | 110 | I19 I108 T109 G110 Q111 V141 L147 I168 V174 Q175 | I19-I170 HydrophobicContact CD1-CD1 3.46Å; I19-I170 VanDerWaalsContact CD1-CD1 3.46Å; I19-I170 HydrophobicContact CG1-CD1 4.21Å; I108-I170 HydrophobicContact CG2-CD1 3.81Å; I108-I170 HydrophobicContact CG2-CG1 4.49Å; T109-I170 PolarHBondContact O-N 2.65Å; G110-I170 CarbonylContact C-O 3.58Å; G110-I170 WeakPolarHBondContact CA-O 3Å; Q111-I170 PolarHBondContact N-O 3.04Å; V141-I170 HydrophobicContact CB-CG2 4.44Å; V141-I170 HydrophobicContact CG2-CG1 4.07Å; L147-I170 HydrophobicContact CD1-CD1 3.94Å; I168-I170 HydrophobicContact CG2-CD1 3.98Å; I168-I170 HydrophobicContact CG2-CG1 3.83Å; I170-V174 HydrophobicContact CG2-CB 4.28Å; I170-V174 HydrophobicContact CG2-CG1 4.06Å; I170-Q175 HydrophobicContact CB-CG 4.23Å; I170-Q175 HydrophobicContact CG2-CG 3.63Å; I170-Q175 PolarHBondContact O-NE2 2.89Å |
| 171 | P | 98.2 | Very high | 97.1 | Very high | 1 Ų | 1 | 28 Ų | 28 | 1% | 0.006 | 16% | 0.156 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -54.7 | 141.8 | 175 | -27.8 | 37.6 | 0 | 0 | 0 | 112.9 | Q111 V112 A114 I117 L140 V141 D173 V174 Q175 | Q111-P171 HydrophobicContact CB-CG 4.4Å; V112-P171 WeakPolarHBondContact O-CB 3.46Å; A114-P171 HydrophobicContact CB-CB 4.4Å; I117-P171 HydrophobicContact CD1-CG 4.1Å; L140-P171 HydrophobicContact CD1-CG 4.13Å; V141-P171 WeakPolarHBondContact O-CD 3.4Å; V141-P171 VanDerWaalsContact O-CG 3.25Å; V141-P171 WeakPolarHBondContact O-CG 3.4Å; P171-D173 VanDerWaalsContact C-N 3.26Å; P171-D173 WeakPolarHBondContact CB-OD1 3.23Å; P171-D173 PolarHBondContact O-N 3.42Å; P171-V174 HydrophobicContact CB-CB 4.39Å; P171-V174 HydrophobicContact CB-CG2 4.06Å; P171-V174 HydrophobicContact CG-CG2 4.25Å; P171-V174 WeakPolarHBondContact O-CA 3.04Å; P171-V174 WeakPolarHBondContact O-CB 3.46Å; P171-V174 PolarHBondContact O-N 3.36Å; P171-Q175 WeakPolarHBondContact O-CG 3.26Å; P171-Q175 PolarHBondContact O-N 3.29Å |
| 172 | K | 98 | Very high | 96.4 | Very high | 78 Ų | 78 | 32.2 Ų | 32.2 | 34% | 0.339 | 17% | 0.169 | S | C | . | . | H | α-helix | trans | -56.7 | -38.5 | -177.6 | -176.2 | 173.5 | -176.4 | 161.5 | 0 | 113.2 | G37 P41 Q111 P113 Q175 T176 | G37-K172 PolarHBondContact O-NZ 3.13Å; P41-K172 HydrophobicContact CG-CG 4.2Å; Q111-K172 PolarHBondContact O-N 3.49Å; P113-K172 HydrophobicContact CG-CB 4.35Å; K172-Q175 WeakPolarHBondContact O-CB 3.39Å; K172-Q175 PolarHBondContact O-N 3.31Å; K172-T176 PolarHBondContact O-N 3.4Å; K172-T176 VanDerWaalsContact O-N 3.08Å; K172-T176 PolarHBondContact O-OG1 3.21Å |
| 173 | D | 97.6 | Very high | 95.7 | Very high | 60 Ų | 60 | 34.1 Ų | 34.1 | 32% | 0.321 | 19% | 0.193 | S | C | . | . | H | α-helix | trans | -65.4 | -37.9 | 176.3 | 56.1 | -33.8 | 0 | 0 | 0 | 112.2 | P113 A114 P171 T176 A177 | P113-D173 WeakPolarHBondContact CA-OD1 3.43Å; P113-D173 HydrophobicContact CB-CB 4.28Å; A114-D173 WeakPolarHBondContact CB-OD2 3.44Å; A114-D173 PolarHBondContact N-OD1 3.42Å; A114-D173 PolarHBondContact N-OD2 2.99Å; P171-D173 VanDerWaalsContact C-N 3.26Å; P171-D173 WeakPolarHBondContact CB-OD1 3.23Å; P171-D173 PolarHBondContact O-N 3.42Å; D173-T176 PolarHBondContact O-N 3.02Å; D173-T176 PolarHBondContact O-OG1 2.8Å; D173-T176 VanDerWaalsContact O-OG1 3.11Å; D173-A177 WeakPolarHBondContact O-CB 3.45Å; D173-A177 PolarHBondContact O-N 2.99Å |
| 174 | V | 98.3 | Very high | 94.9 | Very high | 6 Ų | 6 | 34.4 Ų | 34.4 | 4% | 0.036 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -64.3 | -42.6 | 171.4 | 177.1 | 0 | 0 | 0 | 0 | 111.2 | V141 I144 I170 P171 T176 A177 | V141-V174 HydrophobicContact CG1-CG1 3.84Å; I144-V174 HydrophobicContact CB-CG1 4.45Å; I144-V174 HydrophobicContact CD1-CG1 4.3Å; I170-V174 HydrophobicContact CG2-CB 4.28Å; I170-V174 HydrophobicContact CG2-CG1 4.06Å; P171-V174 HydrophobicContact CB-CB 4.39Å; P171-V174 HydrophobicContact CB-CG2 4.06Å; P171-V174 HydrophobicContact CG-CG2 4.25Å; P171-V174 WeakPolarHBondContact O-CA 3.04Å; P171-V174 WeakPolarHBondContact O-CB 3.46Å; P171-V174 PolarHBondContact O-N 3.36Å; V174-T176 VanDerWaalsContact C-N 3.27Å; V174-T176 PolarHBondContact O-N 3.28Å; V174-A177 PolarHBondContact O-N 3.28Å |
| 175 | Q | 98.4 | Very high | 94.1 | Very high | 0 Ų | 0 | 35.7 Ų | 35.7 | 0% | 0 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -60.4 | -37.3 | 176.8 | -61.8 | 169.7 | 44.4 | 0 | 0 | 112.2 | G15 A16 S38 P41 V42 I170 P171 K172 | G15-Q175 CarbonylContact C-O 3.38Å; G15-Q175 WeakPolarHBondContact CA-O 3.36Å; G15-Q175 PolarHBondContact N-O 3.45Å; A16-Q175 HydrophobicContact CB-CB 4.47Å; A16-Q175 PolarHBondContact N-O 3.21Å; S38-Q175 PolarHBondContact O-NE2 2.81Å; S38-Q175 PolarHBondContact O-OE1 3.38Å; P41-Q175 HydrophobicContact CB-CB 3.92Å; P41-Q175 HydrophobicContact CG-CB 4.25Å; V42-Q175 HydrophobicContact CG2-CG 4.15Å; I170-Q175 HydrophobicContact CB-CG 4.23Å; I170-Q175 HydrophobicContact CG2-CG 3.63Å; I170-Q175 PolarHBondContact O-NE2 2.89Å; P171-Q175 WeakPolarHBondContact O-CG 3.26Å; P171-Q175 PolarHBondContact O-N 3.29Å; K172-Q175 WeakPolarHBondContact O-CB 3.39Å; K172-Q175 PolarHBondContact O-N 3.31Å |
| 176 | T | 98.1 | Very high | 93.3 | Very high | 75 Ų | 75 | 39.5 Ų | 39.5 | 46% | 0.46 | 23% | 0.231 | S | C | . | . | H | α-helix | trans | -88.3 | -14.6 | -179.4 | 56.6 | 0 | 0 | 0 | 0 | 114.4 | P41 K172 D173 V174 | P41-T176 HydrophobicContact CB-CG2 4.03Å; P41-T176 HydrophobicContact CG-CG2 3.71Å; K172-T176 PolarHBondContact O-N 3.4Å; K172-T176 VanDerWaalsContact O-N 3.08Å; K172-T176 PolarHBondContact O-OG1 3.21Å; D173-T176 PolarHBondContact O-N 3.02Å; D173-T176 PolarHBondContact O-OG1 2.8Å; D173-T176 VanDerWaalsContact O-OG1 3.11Å; V174-T176 VanDerWaalsContact C-N 3.27Å; V174-T176 PolarHBondContact O-N 3.28Å |
| 177 | A | 97.9 | Very high | 92.7 | Very high | 32 Ų | 32 | 43.4 Ų | 43.4 | 26% | 0.264 | 26% | 0.255 | S | S | . | . | trans | -63 | 139.6 | 178.8 | 0 | 0 | 0 | 0 | 0 | 110.4 | T14 G15 I144 D173 V174 | T14-A177 CarbonylContact C-O 3.55Å; T14-A177 VanDerWaalsContact CA-O 3.24Å; T14-A177 WeakPolarHBondContact CA-O 3.29Å; G15-A177 PolarHBondContact N-O 3.43Å; I144-A177 HydrophobicContact CB-CB 3.94Å; I144-A177 HydrophobicContact CG1-CB 4.21Å; I144-A177 HydrophobicContact CG2-CB 4.11Å; D173-A177 WeakPolarHBondContact O-CB 3.45Å; D173-A177 PolarHBondContact O-N 2.99Å; V174-A177 PolarHBondContact O-N 3.28Å | ||
| 178 | V | 96.7 | Very high | 92.2 | Very high | 72 Ų | 72 | 43.8 Ų | 43.8 | 44% | 0.436 | 26% | 0.258 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104 | 131.9 | -178.9 | -175.6 | 0 | 0 | 0 | 0 | 109.4 | R12 F13 T14 | R12-V178 HydrophobicContact CG-CG1 3.55Å; F13-V178 WeakPolarHBondContact O-CA 3.38Å; T14-V178 HydrophobicContact CG2-CG2 3.96Å |
| 179 | F | 95.1 | Very high | 91.7 | Very high | 21 Ų | 21 | 51.4 Ų | 51.4 | 9% | 0.092 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.1 | 162 | 178.4 | 78 | -64.3 | 0 | 0 | 0 | 111.5 | R12 F13 F18 I144 P148 I181 | R12-F179 WeakPolarHBondContact CA-O 3.39Å; F13-F179 HydrophobicContact CB-CD1 4.49Å; F13-F179 HydrophobicContact CB-CE1 3.98Å; F13-F179 PolarHBondContact N-O 3.38Å; F13-F179 WeakPolarHBondContact O-CD1 3.17Å; F13-F179 PolarHBondContact O-N 3.19Å; F18-F179 HydrophobicContact CB-CE1 3.86Å; F18-F179 HydrophobicContact CB-CZ 4.02Å; F18-F179 HydrophobicContact CD1-CZ 4.41Å; F18-F179 HydrophobicContact CD2-CE1 4.46Å; F18-F179 AromaticContact CD2-CZ 3.81Å; F18-F179 HydrophobicContact CD2-CZ 3.81Å; F18-F179 HydrophobicContact CE2-CZ 4.45Å; F18-F179 HydrophobicContact CG-CE1 4.14Å; F18-F179 AromaticContact CG-CZ 3.78Å; F18-F179 HydrophobicContact CG-CZ 3.78Å; I144-F179 HydrophobicContact CD1-CD1 3.79Å; I144-F179 HydrophobicContact CD1-CE1 3.89Å; I144-F179 HydrophobicContact CD1-CG 4.5Å; I144-F179 HydrophobicContact CG1-CB 3.94Å; I144-F179 HydrophobicContact CG1-CD1 3.41Å; I144-F179 VanDerWaalsContact CG1-CD1 3.41Å; I144-F179 HydrophobicContact CG1-CE1 4Å; I144-F179 HydrophobicContact CG1-CG 3.71Å; I144-F179 HydrophobicContact CG2-CB 4.17Å; P148-F179 HydrophobicContact CG-CE2 3.79Å; P148-F179 HydrophobicContact CG-CZ 3.96Å; F179-I181 HydrophobicContact CD2-CB 4.37Å; F179-I181 HydrophobicContact CE2-CB 3.82Å; F179-I181 HydrophobicContact CE2-CD1 4.22Å; F179-I181 HydrophobicContact CE2-CG1 4.43Å; F179-I181 HydrophobicContact CE2-CG2 4.45Å; F179-I181 HydrophobicContact CZ-CB 4.49Å |
| 180 | E | 93.2 | Very high | 91.3 | Very high | 112 Ų | 112 | 55.6 Ų | 55.6 | 52% | 0.523 | 31% | 0.312 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.8 | 128.7 | 173.4 | -68.2 | -176.2 | 175.3 | 0 | 0 | 109.6 | R10 K11 R12 | R10-E180 HydrophobicContact CB-CB 4.37Å; R10-E180 VanDerWaalsContact CD-OE2 3.31Å; R10-E180 WeakPolarHBondContact CD-OE2 3.25Å; R10-E180 IonicContact NH1-OE2 2.8Å; R10-E180 PolarHBondContact NH1-OE2 3.42Å; K11-E180 WeakPolarHBondContact O-CA 3.49Å; R12-E180 HydrophobicContact CB-CG 4.45Å; R12-E180 HydrophobicContact CG-CG 4.47Å |
| 181 | I | 89.5 | Confident | 91 | Very high | 19 Ų | 19 | 57.5 Ų | 57.5 | 10% | 0.097 | 33% | 0.327 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.3 | 130.4 | 176.1 | -166.2 | 169.7 | 0 | 0 | 0 | 110.2 | K11 F13 F18 P148 F179 A183 Q184 | K11-I181 PolarHBondContact N-O 3.14Å; K11-I181 PolarHBondContact O-N 3.16Å; F13-I181 HydrophobicContact CD2-CG2 3.92Å; F13-I181 HydrophobicContact CE2-CG2 3.95Å; F18-I181 HydrophobicContact CE2-CD1 4.09Å; P148-I181 HydrophobicContact CB-CD1 3.99Å; P148-I181 HydrophobicContact CG-CD1 3.8Å; F179-I181 HydrophobicContact CD2-CB 4.37Å; F179-I181 HydrophobicContact CE2-CB 3.82Å; F179-I181 HydrophobicContact CE2-CD1 4.22Å; F179-I181 HydrophobicContact CE2-CG1 4.43Å; F179-I181 HydrophobicContact CE2-CG2 4.45Å; F179-I181 HydrophobicContact CZ-CB 4.49Å; I181-A183 WeakPolarHBondContact CD1-O 3.31Å; I181-A183 WeakPolarHBondContact CG1-O 3.41Å; I181-Q184 HydrophobicContact CD1-CG 4.38Å; I181-Q184 HydrophobicContact CG2-CG 4.14Å |
| 182 | E | 81.6 | Confident | 90.7 | Very high | 114 Ų | 114 | 62.1 Ų | 62.1 | 53% | 0.533 | 37% | 0.366 | S | S | . | . | S | Bend | trans | -89.4 | -53.3 | -179.8 | -179.8 | 160 | -178.4 | 0 | 0 | 111.6 | S8 R10 | S8-E182 WeakPolarHBondContact CB-OE1 3.15Å; S8-E182 WeakPolarHBondContact OG-CG 3.33Å; S8-E182 PolarHBondContact OG-OE1 3.38Å; R10-E182 HydrophobicContact CG-CB 4.2Å; R10-E182 IonicContact NE-OE2 3.5Å |
| 183 | A | 81.2 | Confident | 90.3 | Very high | 80 Ų | 80 | 60 Ų | 60 | 66% | 0.661 | 36% | 0.363 | S | S | * | . | S | Bend | trans | -113.6 | 117.7 | 175.6 | 0 | 0 | 0 | 0 | 0 | 109.5 | I181 | I181-A183 WeakPolarHBondContact CD1-O 3.31Å; I181-A183 WeakPolarHBondContact CG1-O 3.41Å |
| 184 | Q | 79.9 | Confident | 89.9 | Confident | 47 Ų | 47 | 59.2 Ų | 59.2 | 22% | 0.22 | 36% | 0.361 | C | S | . | . | P | Polyproline II helix | trans | -77.7 | 144 | 173.7 | -64.9 | 179.4 | -17.9 | 0 | 0 | 109.4 | H21 I181 A186 | H21-Q184 PolarHBondContact NE2-NE2 2.84Å; H21-Q184 VanDerWaalsContact NE2-NE2 3.17Å; H21-Q184 PolarHBondContact NE2-OE1 3.45Å; I181-Q184 HydrophobicContact CD1-CG 4.38Å; I181-Q184 HydrophobicContact CG2-CG 4.14Å; Q184-A186 PolarHBondContact O-N 3.24Å |
| 185 | P | 80.9 | Confident | 89.5 | Confident | 27 Ų | 27 | 64 Ų | 64 | 18% | 0.175 | 40% | 0.401 | C | S | . | . | P | Polyproline II helix | trans | -56.5 | 141.4 | 172.9 | -18.4 | 28.9 | 0 | 0 | 0 | 110.2 | F22 P148 | F22-P185 HydrophobicContact CE2-CB 4.2Å; F22-P185 HydrophobicContact CE2-CG 4.4Å; P148-P185 HydrophobicContact CB-CG 3.85Å |
| 186 | A | 83.1 | Confident | 89.3 | Confident | 80 Ų | 80 | 66.1 Ų | 66.1 | 66% | 0.661 | 41% | 0.41 | S | S | * | . | P | Polyproline II helix | trans | -62.7 | 167 | 171.6 | 0 | 0 | 0 | 0 | 0 | 110.8 | Q184 A188 | Q184-A186 PolarHBondContact O-N 3.24Å; A186-A188 PolarHBondContact O-N 3.4Å |
| 187 | V | 86.5 | Confident | 89 | Confident | 82 Ų | 82 | 65.3 Ų | 65.3 | 50% | 0.497 | 41% | 0.408 | S | S | . | . | P | Polyproline II helix | trans | -52.2 | 130.7 | 168.3 | -179 | 0 | 0 | 0 | 0 | 108.3 | Q25 E189 | Q25-V187 WeakPolarHBondContact O-CG2 3.39Å; V187-E189 PolarHBondContact O-N 2.84Å |
| 188 | A | 87.3 | Confident | 88.9 | Confident | 9 Ų | 9 | 69.1 Ų | 69.1 | 7% | 0.074 | 42% | 0.42 | C | S | . | . | P | Polyproline II helix | trans | -73.3 | 117.1 | -172.6 | 0 | 0 | 0 | 0 | 0 | 108.8 | F155 R156 Q159 A186 | F155-A188 HydrophobicContact CB-CB 3.63Å; R156-A188 HydrophobicContact CB-CB 4.45Å; Q159-A188 PolarHBondContact NE2-O 3.49Å; A186-A188 PolarHBondContact O-N 3.4Å |
| 189 | E | 88.3 | Confident | 88.9 | Confident | 161 Ų | 161 | 71.6 Ų | 71.6 | 75% | 0.752 | 43% | 0.427 | S | S | * | . | P | Polyproline II helix | trans | -91.3 | 157.2 | 178.4 | -66.1 | -175 | 173.9 | 0 | 0 | 111.6 | R156 Q159 V187 A191 | R156-E189 WeakPolarHBondContact CG-O 3.4Å; Q159-E189 PolarHBondContact NE2-O 2.89Å; V187-E189 PolarHBondContact O-N 2.84Å; E189-A191 PolarHBondContact O-N 2.92Å |
| 190 | K | 90 | Very high | 89 | Confident | 91 Ų | 91 | 72.1 Ų | 72.1 | 40% | 0.396 | 43% | 0.433 | S | S | . | . | P | Polyproline II helix | trans | -65.1 | 130.6 | 173.8 | -167.1 | -172.9 | 176.3 | -173.1 | 0 | 107.2 | Q159 D326 | Q159-K190 HydrophobicContact CG-CB 4.24Å; Q159-K190 HydrophobicContact CG-CG 4.37Å; K190-D326 IonicContact NZ-OD2 3.52Å; K190-D326 PolarHBondContact NZ-OD2 3.04Å; K190-D326 VanDerWaalsContact NZ-OD2 3.09Å |
| 191 | A | 91.5 | Very high | 89.2 | Confident | 40 Ų | 40 | 66.9 Ų | 66.9 | 33% | 0.331 | 41% | 0.409 | S | S | . | . | P | Polyproline II helix | trans | -60.1 | 143.6 | 169.3 | 0 | 0 | 0 | 0 | 0 | 109.3 | S160 E189 A193 | S160-A191 WeakPolarHBondContact OG-CB 3.48Å; S160-A191 PolarHBondContact OG-N 2.91Å; E189-A191 PolarHBondContact O-N 2.92Å; A191-A193 PolarHBondContact O-N 3.22Å |
| 192 | A | 90.8 | Very high | 89.6 | Confident | 99 Ų | 99 | 71.9 Ų | 71.9 | 82% | 0.818 | 43% | 0.426 | S | S | * | . | P | Polyproline II helix | trans | -53.5 | 139.3 | 177.5 | 0 | 0 | 0 | 0 | 0 | 110.8 | ||
| 193 | A | 90 | Very high | 90.4 | Very high | 32 Ų | 32 | 69.9 Ų | 69.9 | 26% | 0.264 | 42% | 0.419 | S | S | . | . | P | Polyproline II helix | trans | -62.4 | 152.4 | 173.5 | 0 | 0 | 0 | 0 | 0 | 110.2 | A191 A195 D326 | A191-A193 PolarHBondContact O-N 3.22Å; A193-A195 PolarHBondContact O-N 3.12Å; A193-D326 HydrophobicContact CB-CB 4.13Å |
| 194 | P | 89.5 | Confident | 91.2 | Very high | 45 Ų | 45 | 66 Ų | 66 | 29% | 0.292 | 39% | 0.388 | S | S | . | . | P | Polyproline II helix | trans | -55.4 | 140.2 | 174.9 | -23.1 | 33.4 | 0 | 0 | 0 | 111.7 | Q324 | P194-Q324 HydrophobicContact CB-CG 4.46Å; P194-Q324 HydrophobicContact CG-CG 4.33Å |
| 195 | A | 91.1 | Very high | 92.1 | Very high | 105 Ų | 105 | 64 Ų | 64 | 87% | 0.868 | 38% | 0.379 | S | S | * | . | P | Polyproline II helix | trans | -67.3 | 141.4 | 170.1 | 0 | 0 | 0 | 0 | 0 | 110 | A193 | A193-A195 PolarHBondContact O-N 3.12Š|
| 196 | F | 92.4 | Very high | 92.9 | Very high | 46 Ų | 46 | 67 Ų | 67 | 20% | 0.202 | 40% | 0.397 | C | S | . | . | trans | -124.1 | 155.9 | 178.8 | 55.2 | -88.1 | 0 | 0 | 0 | 111.2 | I201 I323 A325 D329 V330 Q333 | F196-I201 HydrophobicContact CD2-CD1 3.79Å; F196-I201 HydrophobicContact CD2-CG1 3.81Å; F196-I201 HydrophobicContact CE2-CD1 3.61Å; F196-I201 HydrophobicContact CE2-CG1 3.75Å; F196-I323 HydrophobicContact CB-CG2 3.89Å; F196-I323 HydrophobicContact CD2-CG2 4.34Å; F196-I323 HydrophobicContact CG-CG2 4.21Å; F196-A325 HydrophobicContact CB-CB 4.15Å; F196-A325 HydrophobicContact CD1-CB 3.35Å; F196-A325 HydrophobicContact CE1-CB 3.89Å; F196-A325 HydrophobicContact CG-CB 3.89Å; F196-D329 HydrophobicContact CE1-CB 3.93Å; F196-D329 HydrophobicContact CZ-CB 4.18Å; F196-V330 HydrophobicContact CD1-CG2 4.49Å; F196-V330 HydrophobicContact CD2-CG2 4.45Å; F196-V330 HydrophobicContact CE1-CG2 4.29Å; F196-V330 HydrophobicContact CE2-CG2 4.25Å; F196-V330 HydrophobicContact CZ-CG2 4.15Å; F196-Q333 VanDerWaalsContact CZ-NE2 3.29Å | ||
| 197 | S | 93.3 | Very high | 93.6 | Very high | 58 Ų | 58 | 64.7 Ų | 64.7 | 41% | 0.406 | 37% | 0.373 | S | S | . | . | trans | -77.8 | 131.6 | -175.8 | -179.4 | 0 | 0 | 0 | 0 | 111.6 | E199 S200 I201 | S197-E199 PolarHBondContact O-N 2.92Å; S197-E199 WeakPolarHBondContact OG-CB 3.39Å; S197-E199 PolarHBondContact OG-N 3.09Å; S197-E199 VanDerWaalsContact OG-N 3.16Å; S197-S200 PolarHBondContact O-N 3.49Å; S197-I201 PolarHBondContact O-N 2.89Å | ||
| 198 | E | 94.5 | Very high | 94.2 | Very high | 111 Ų | 111 | 60.8 Ų | 60.8 | 52% | 0.519 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -59.9 | -29.6 | 169.3 | -66.3 | -174.9 | -174.6 | 0 | 0 | 112.7 | I201 R202 | E198-I201 PolarHBondContact O-N 3.44Å; E198-R202 VanDerWaalsContact CB-NH2 3.33Å; E198-R202 WeakPolarHBondContact O-CG 3.42Å; E198-R202 PolarHBondContact O-N 2.93Å; E198-R202 IonicContact OE2-CZ 3.63Å; E198-R202 IonicContact OE2-NH1 3.42Å; E198-R202 PolarHBondContact OE2-NH1 3.36Å; E198-R202 IonicContact OE2-NH2 3.86Å; E198-R202 PolarHBondContact OE2-NH2 2.86Å |
| 199 | E | 96.7 | Very high | 94.7 | Very high | 124 Ų | 124 | 61.7 Ų | 61.7 | 58% | 0.579 | 35% | 0.353 | S | S | * | . | H | α-helix | trans | -61.5 | -45.6 | 176 | -173.4 | 179.2 | -174 | 0 | 0 | 110.6 | S197 I201 R202 D203 | S197-E199 PolarHBondContact O-N 2.92Å; S197-E199 WeakPolarHBondContact OG-CB 3.39Å; S197-E199 PolarHBondContact OG-N 3.09Å; S197-E199 VanDerWaalsContact OG-N 3.16Å; E199-I201 VanDerWaalsContact C-N 3.25Å; E199-I201 PolarHBondContact O-N 3.48Å; E199-R202 CarbonylContact O-C 3.51Å; E199-R202 WeakPolarHBondContact O-CB 3.48Å; E199-R202 PolarHBondContact O-N 2.84Å; E199-R202 VanDerWaalsContact O-N 3.07Å; E199-D203 PolarHBondContact O-N 3.35Å |
| 200 | S | 97 | Very high | 95.2 | Very high | 32 Ų | 32 | 57.3 Ų | 57.3 | 22% | 0.224 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -63 | -32.6 | 177.5 | -52.7 | 0 | 0 | 0 | 0 | 112.5 | S197 A204 | S197-S200 PolarHBondContact O-N 3.49Å; S200-A204 VanDerWaalsContact O-CB 3.31Å; S200-A204 WeakPolarHBondContact O-CB 3.34Å; S200-A204 PolarHBondContact O-N 3.43Å |
| 201 | I | 97.8 | Very high | 95.6 | Very high | 3 Ų | 3 | 53.4 Ų | 53.4 | 2% | 0.015 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -68.7 | -43.6 | 173.5 | -58.4 | -69 | 0 | 0 | 0 | 110.8 | F196 S197 E198 E199 A204 A205 I323 V330 Q333 L334 L337 | F196-I201 HydrophobicContact CD2-CD1 3.79Å; F196-I201 HydrophobicContact CD2-CG1 3.81Å; F196-I201 HydrophobicContact CE2-CD1 3.61Å; F196-I201 HydrophobicContact CE2-CG1 3.75Å; S197-I201 PolarHBondContact O-N 2.89Å; E198-I201 PolarHBondContact O-N 3.44Å; E199-I201 VanDerWaalsContact C-N 3.25Å; E199-I201 PolarHBondContact O-N 3.48Å; I201-A204 PolarHBondContact O-N 3.28Å; I201-A205 WeakPolarHBondContact O-CB 3.22Å; I201-A205 PolarHBondContact O-N 3.44Å; I201-I323 HydrophobicContact CD1-CD1 3.9Å; I201-V330 HydrophobicContact CD1-CB 4.37Å; I201-V330 HydrophobicContact CD1-CG1 3.73Å; I201-V330 HydrophobicContact CD1-CG2 4.37Å; I201-Q333 HydrophobicContact CG2-CB 4.15Å; I201-L334 HydrophobicContact CG2-CB 4.26Å; I201-L334 HydrophobicContact CG2-CD1 4.27Å; I201-L337 HydrophobicContact CG2-CD1 4.03Å |
| 202 | R | 98 | Very high | 95.8 | Very high | 123 Ų | 123 | 58.2 Ų | 58.2 | 46% | 0.464 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -63.5 | -39.8 | 175.5 | -74.7 | -174.1 | -86 | -91.9 | 4 | 112.1 | E198 E199 A205 T206 L337 | E198-R202 VanDerWaalsContact CB-NH2 3.33Å; E198-R202 WeakPolarHBondContact O-CG 3.42Å; E198-R202 PolarHBondContact O-N 2.93Å; E198-R202 IonicContact OE2-CZ 3.63Å; E198-R202 IonicContact OE2-NH1 3.42Å; E198-R202 PolarHBondContact OE2-NH1 3.36Å; E198-R202 IonicContact OE2-NH2 3.86Å; E198-R202 PolarHBondContact OE2-NH2 2.86Å; E199-R202 CarbonylContact O-C 3.51Å; E199-R202 WeakPolarHBondContact O-CB 3.48Å; E199-R202 PolarHBondContact O-N 2.84Å; E199-R202 VanDerWaalsContact O-N 3.07Å; R202-A205 PolarHBondContact O-N 2.72Å; R202-T206 WeakPolarHBondContact O-CB 3.39Å; R202-T206 PolarHBondContact O-N 3.26Å; R202-T206 PolarHBondContact O-OG1 3.05Å; R202-L337 HydrophobicContact CG-CD1 4.04Å |
| 203 | D | 98.2 | Very high | 96.2 | Very high | 72 Ų | 72 | 58 Ų | 58 | 39% | 0.385 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -65.4 | -45.4 | 175.8 | -69.7 | -19.5 | 0 | 0 | 0 | 111.3 | E199 T206 M207 V321 | E199-D203 PolarHBondContact O-N 3.35Å; D203-T206 PolarHBondContact O-N 2.85Å; D203-M207 WeakPolarHBondContact O-CG 3.21Å; D203-M207 PolarHBondContact O-N 2.94Å; D203-V321 HydrophobicContact CB-CG2 3.9Å |
| 204 | A | 98.4 | Very high | 96.6 | Very high | 0 Ų | 0 | 56.4 Ų | 56.4 | 0% | 0 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -59.2 | -47.8 | 174.5 | 0 | 0 | 0 | 0 | 0 | 111.6 | S200 I201 T206 M207 I208 I304 V321 I323 L334 | S200-A204 VanDerWaalsContact O-CB 3.31Å; S200-A204 WeakPolarHBondContact O-CB 3.34Å; S200-A204 PolarHBondContact O-N 3.43Å; I201-A204 PolarHBondContact O-N 3.28Å; A204-T206 VanDerWaalsContact C-N 3.34Å; A204-T206 PolarHBondContact O-N 3.47Å; A204-M207 PolarHBondContact O-N 3.28Å; A204-I208 VanDerWaalsContact O-CG1 3.26Å; A204-I208 WeakPolarHBondContact O-CG1 3.49Å; A204-I208 PolarHBondContact O-N 3.46Å; A204-I304 HydrophobicContact CB-CD1 4Å; A204-I304 HydrophobicContact CB-CG1 4.49Å; A204-I304 HydrophobicContact CB-CG2 4.09Å; A204-V321 HydrophobicContact CB-CG1 4.31Å; A204-I323 HydrophobicContact CB-CD1 4.31Å; A204-L334 HydrophobicContact CB-CD1 3.95Å |
| 205 | A | 98.5 | Very high | 97 | Very high | 4 Ų | 4 | 54.3 Ų | 54.3 | 3% | 0.033 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -60 | -44 | 176.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | I201 R202 M207 I208 N209 L334 L337 V338 | I201-A205 WeakPolarHBondContact O-CB 3.22Å; I201-A205 PolarHBondContact O-N 3.44Å; R202-A205 PolarHBondContact O-N 2.72Å; A205-M207 VanDerWaalsContact C-N 3.35Å; A205-M207 PolarHBondContact O-N 3.27Å; A205-I208 PolarHBondContact O-N 3.22Å; A205-N209 WeakPolarHBondContact O-CB 3.48Å; A205-N209 PolarHBondContact O-N 3.06Å; A205-N209 PolarHBondContact O-ND2 2.84Å; A205-L334 HydrophobicContact CB-CD1 3.91Å; A205-L337 HydrophobicContact CB-CB 3.59Å; A205-L337 HydrophobicContact CB-CD1 4.37Å; A205-V338 HydrophobicContact CB-CG2 4.48Å |
| 206 | T | 98.4 | Very high | 97.4 | Very high | 89 Ų | 89 | 49.3 Ų | 49.3 | 55% | 0.546 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -59.6 | -45.4 | 177.4 | -60.8 | 0 | 0 | 0 | 0 | 111.2 | R202 D203 A204 N209 A210 | R202-T206 WeakPolarHBondContact O-CB 3.39Å; R202-T206 PolarHBondContact O-N 3.26Å; R202-T206 PolarHBondContact O-OG1 3.05Å; D203-T206 PolarHBondContact O-N 2.85Å; A204-T206 VanDerWaalsContact C-N 3.34Å; A204-T206 PolarHBondContact O-N 3.47Å; T206-N209 PolarHBondContact O-N 3.4Å; T206-A210 VanDerWaalsContact O-CB 3.23Å; T206-A210 WeakPolarHBondContact O-CB 3.43Å; T206-A210 PolarHBondContact O-N 3.32Å |
| 207 | M | 98.4 | Very high | 97.6 | Very high | 32 Ų | 32 | 47.1 Ų | 47.1 | 16% | 0.158 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -62.7 | -44.2 | 176.3 | -73.6 | 175.3 | 70.4 | 0 | 0 | 112.1 | D203 A204 A205 A210 A211 L278 K302 I304 H320 V321 | D203-M207 WeakPolarHBondContact O-CG 3.21Å; D203-M207 PolarHBondContact O-N 2.94Å; A204-M207 PolarHBondContact O-N 3.28Å; A205-M207 VanDerWaalsContact C-N 3.35Å; A205-M207 PolarHBondContact O-N 3.27Å; M207-A210 PolarHBondContact O-N 3.5Å; M207-A211 WeakPolarHBondContact O-CB 3.5Å; M207-A211 PolarHBondContact O-N 3.48Å; M207-L278 HydrophobicContact CB-CD1 4.34Å; M207-L278 HydrophobicContact CB-CD2 4.39Å; M207-L278 HydrophobicContact CE-CD1 3.63Å; M207-K302 HydrophobicContact CE-CB 3.5Å; M207-K302 VanDerWaalsContact CE-CB 3.5Å; M207-K302 HydrophobicContact CE-CD 3.93Å; M207-K302 HydrophobicContact CE-CG 4.35Å; M207-I304 HydrophobicContact CB-CD1 3.98Å; M207-I304 HydrophobicContact CE-CG1 3.95Å; M207-I304 HydrophobicContact SD-CD1 4.42Å; M207-I304 HydrophobicContact SD-CG1 4.03Å; M207-H320 HydrophobicContact CE-CB 3.82Å; M207-H320 HydrophobicContact SD-CB 4.45Å; M207-V321 HydrophobicContact SD-CB 4.34Å; M207-V321 HydrophobicContact SD-CG2 3.47Å; M207-V321 WeakPolarHBondContact SD-CG2 3.18Å |
| 208 | I | 98.5 | Very high | 97.9 | Very high | 0 Ų | 0 | 44.4 Ų | 44.4 | 0% | 0 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -62.4 | -46.5 | 177.8 | -67.3 | 169.1 | 0 | 0 | 0 | 110.9 | A204 A205 A210 A211 A236 L278 I280 I304 L334 V338 R343 | A204-I208 VanDerWaalsContact O-CG1 3.26Å; A204-I208 WeakPolarHBondContact O-CG1 3.49Å; A204-I208 PolarHBondContact O-N 3.46Å; A205-I208 PolarHBondContact O-N 3.22Å; I208-A210 VanDerWaalsContact C-N 3.3Å; I208-A210 PolarHBondContact O-N 2.85Å; I208-A211 PolarHBondContact O-N 2.95Å; I208-A236 HydrophobicContact CG2-CB 4.4Å; I208-L278 HydrophobicContact CB-CD2 4.4Å; I208-L278 HydrophobicContact CG1-CD2 3.91Å; I208-I280 HydrophobicContact CD1-CD1 4.01Å; I208-I280 HydrophobicContact CD1-CG1 4.48Å; I208-I280 HydrophobicContact CG1-CD1 3.76Å; I208-I280 HydrophobicContact CG1-CG1 4.2Å; I208-I304 HydrophobicContact CD1-CD1 4.26Å; I208-I304 HydrophobicContact CG1-CD1 3.88Å; I208-L334 HydrophobicContact CD1-CD1 4.25Å; I208-L334 HydrophobicContact CD1-CD2 3.94Å; I208-L334 HydrophobicContact CD1-CG 4.4Å; I208-V338 HydrophobicContact CB-CG2 4.42Å; I208-V338 HydrophobicContact CD1-CG2 4.11Å; I208-V338 HydrophobicContact CG2-CG1 3.78Å; I208-V338 HydrophobicContact CG2-CG2 4.13Å; I208-R343 PolarHBondContact O-NH2 3.24Å |
| 209 | N | 98.3 | Very high | 98.1 | Very high | 29 Ų | 29 | 39.1 Ų | 39.1 | 16% | 0.155 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -67.5 | -30.4 | -179.9 | -65.8 | -15.7 | 0 | 0 | 0 | 112 | A205 T206 L337 V338 E339 Q341 | A205-N209 WeakPolarHBondContact O-CB 3.48Å; A205-N209 PolarHBondContact O-N 3.06Å; A205-N209 PolarHBondContact O-ND2 2.84Å; T206-N209 PolarHBondContact O-N 3.4Å; N209-L337 PolarHBondContact ND2-O 3.05Å; N209-V338 WeakPolarHBondContact OD1-CA 3.27Å; N209-E339 PolarHBondContact OD1-N 3.18Å; N209-Q341 PolarHBondContact O-NE2 3.4Å |
| 210 | A | 97.8 | Very high | 98.1 | Very high | 69 Ų | 69 | 34.7 Ų | 34.7 | 57% | 0.57 | 19% | 0.186 | S | C | * | . | H | α-helix | trans | -83 | -28.7 | 179 | 0 | 0 | 0 | 0 | 0 | 114.1 | T206 M207 I208 | T206-A210 VanDerWaalsContact O-CB 3.23Å; T206-A210 WeakPolarHBondContact O-CB 3.43Å; T206-A210 PolarHBondContact O-N 3.32Å; M207-A210 PolarHBondContact O-N 3.5Å; I208-A210 VanDerWaalsContact C-N 3.3Å; I208-A210 PolarHBondContact O-N 2.85Å |
| 211 | A | 98 | Very high | 98.1 | Very high | 8 Ų | 8 | 35.4 Ų | 35.4 | 7% | 0.066 | 20% | 0.199 | C | C | . | . | trans | -57.6 | 150.8 | -178.8 | 0 | 0 | 0 | 0 | 0 | 111.5 | M207 I208 P214 L278 R343 | M207-A211 WeakPolarHBondContact O-CB 3.5Å; M207-A211 PolarHBondContact O-N 3.48Å; I208-A211 PolarHBondContact O-N 2.95Å; A211-P214 HydrophobicContact CB-CB 4.02Å; A211-P214 HydrophobicContact CB-CG 4.28Å; A211-L278 HydrophobicContact CB-CB 3.74Å; A211-L278 HydrophobicContact CB-CD2 3.76Å; A211-L278 HydrophobicContact CB-CG 4.4Å; A211-R343 PolarHBondContact O-NH1 2.81Å | ||
| 212 | K | 97.4 | Very high | 98 | Very high | 142 Ų | 142 | 35.2 Ų | 35.2 | 62% | 0.617 | 20% | 0.198 | S | C | * | . | S | Bend | trans | -107.5 | -33.4 | 172.2 | -62.6 | -59.1 | -179.9 | -171.7 | 0 | 111.5 | P214 D277 W346 | K212-P214 WeakPolarHBondContact O-CD 3.32Å; K212-D277 PolarHBondContact N-OD2 3.35Å; K212-W346 WeakPolarHBondContact O-CB 3.46Å |
| 213 | R | 97.7 | Very high | 97.9 | Very high | 93 Ų | 93 | 31.1 Ų | 31.1 | 35% | 0.351 | 19% | 0.185 | S | C | . | . | S | Bend | trans | -126.6 | 57.9 | -177.7 | -57.6 | -173.4 | -60.7 | -96.9 | -0.7 | 111.7 | E275 A276 D277 W346 | R213-E275 PolarHBondContact NE-O 3.09Å; R213-E275 PolarHBondContact NH2-O 3.46Å; R213-A276 VanDerWaalsContact O-CA 3.3Å; R213-A276 WeakPolarHBondContact O-CA 3.36Å; R213-D277 VanDerWaalsContact CA-OD1 3.3Å; R213-D277 WeakPolarHBondContact CA-OD1 3.3Å; R213-D277 HydrophobicContact CB-CB 4.48Å; R213-D277 VanDerWaalsContact N-CG 3.28Å; R213-D277 PolarHBondContact N-OD1 3.04Å; R213-D277 PolarHBondContact N-OD2 3.16Å; R213-D277 PolarHBondContact O-N 2.83Å; R213-D277 VanDerWaalsContact O-N 3.08Å; R213-D277 VanDerWaalsContact O-OD1 3.1Å; R213-W346 HydrophobicContact CB-CD2 3.67Å; R213-W346 HydrophobicContact CB-CE3 3.76Å; R213-W346 HydrophobicContact CB-CG 4.18Å; R213-W346 HydrophobicContact CB-CH2 4.19Å; R213-W346 HydrophobicContact CB-CZ2 4.1Å; R213-W346 HydrophobicContact CB-CZ3 4.03Å; R213-W346 HydrophobicContact CG-CB 4.41Å; R213-W346 HydrophobicContact CG-CD2 3.76Å; R213-W346 HydrophobicContact CG-CE3 3.53Å; R213-W346 HydrophobicContact CG-CG 4.16Å; R213-W346 HydrophobicContact CG-CZ3 4.05Å |
| 214 | P | 98.4 | Very high | 97.6 | Very high | 0 Ų | 0 | 32.2 Ų | 32.2 | 0% | 0 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -74.3 | 147.8 | 178.5 | 33.5 | -37 | 0 | 0 | 0 | 111.6 | A211 K212 L238 L278 I280 W346 | A211-P214 HydrophobicContact CB-CB 4.02Å; A211-P214 HydrophobicContact CB-CG 4.28Å; K212-P214 WeakPolarHBondContact O-CD 3.32Å; P214-L238 HydrophobicContact CB-CD2 3.86Å; P214-L238 HydrophobicContact CG-CD2 3.47Å; P214-L238 VanDerWaalsContact CG-CD2 3.47Å; P214-L278 CarbonylContact C-O 3.6Å; P214-L278 VanDerWaalsContact CA-O 3.29Å; P214-L278 WeakPolarHBondContact CA-O 3.34Å; P214-L278 HydrophobicContact CB-CB 4.16Å; P214-L278 HydrophobicContact CB-CD2 4.25Å; P214-I280 HydrophobicContact CB-CD1 4.37Å; P214-W346 PolarHBondContact O-NE1 2.88Å |
| 215 | V | 98.5 | Very high | 97.5 | Very high | 0 Ų | 0 | 32.4 Ų | 32.4 | 0% | 0 | 19% | 0.192 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.7 | 133.3 | 170.9 | 178.2 | 0 | 0 | 0 | 0 | 109.4 | P239 T241 L258 I272 L273 A276 L278 L279 I280 W346 | V215-P239 WeakPolarHBondContact CA-O 3.06Å; V215-T241 HydrophobicContact CG1-CG2 4.12Å; V215-L258 HydrophobicContact CG1-CD1 4.23Å; V215-I272 HydrophobicContact CG2-CG2 4.07Å; V215-L273 HydrophobicContact CB-CD2 4.31Å; V215-L273 HydrophobicContact CG1-CD2 3.7Å; V215-A276 HydrophobicContact CB-CB 4.35Å; V215-A276 HydrophobicContact CG2-CB 3.75Å; V215-L278 PolarHBondContact N-O 2.91Å; V215-L279 HydrophobicContact CB-CD1 4.21Å; V215-L279 HydrophobicContact CG1-CD1 4.33Å; V215-I280 PolarHBondContact O-N 3.01Å; V215-W346 HydrophobicContact CG2-CZ2 3.74Å |
| 216 | L | 98.5 | Very high | 97.4 | Very high | 0 Ų | 0 | 34.2 Ų | 34.2 | 0% | 0 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.5 | 122.9 | 173 | -173.9 | 62.9 | 0 | 0 | 0 | 109.4 | L218 V229 L232 A233 L238 P239 T240 T241 I280 L282 | L216-L218 HydrophobicContact CD1-CD2 4.16Å; L216-L218 HydrophobicContact CD2-CD2 3.97Å; L216-L218 HydrophobicContact CG-CD2 3.76Å; L216-L218 HydrophobicContact CG-CG 4.28Å; L216-V229 HydrophobicContact CD2-CG1 4.36Å; L216-L232 HydrophobicContact CD1-CD2 4.38Å; L216-A233 HydrophobicContact CD2-CB 4Å; L216-L238 HydrophobicContact CB-CB 4.08Å; L216-L238 HydrophobicContact CB-CD1 4.36Å; L216-P239 PolarHBondContact N-O 2.8Å; L216-T240 HydrophobicContact CB-CG2 4.21Å; L216-T240 HydrophobicContact CD2-CG2 4Å; L216-T240 HydrophobicContact CG-CG2 4.19Å; L216-T240 CarbonylContact O-C 3.5Å; L216-T240 WeakPolarHBondContact O-CA 3.43Å; L216-T241 PolarHBondContact O-N 2.66Å; L216-I280 HydrophobicContact CD1-CB 3.93Å; L216-I280 HydrophobicContact CD1-CG2 3.79Å; L216-L282 HydrophobicContact CD1-CD1 3.68Å; L216-L282 HydrophobicContact CD1-CG 3.97Å |
| 217 | Y | 98.3 | Very high | 97.3 | Very high | 1 Ų | 1 | 33.5 Ų | 33.5 | 0% | 0.004 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.7 | 110.1 | -179.1 | 171.4 | -154.5 | 0 | 0 | 0 | 110.3 | T241 T243 L261 L279 I280 V281 L282 A284 F286 | Y217-T241 HydrophobicContact CD2-CG2 4.07Å; Y217-T241 HydrophobicContact CG-CG2 4.38Å; Y217-T243 HydrophobicContact CE2-CG2 3.42Å; Y217-T243 VanDerWaalsContact CE2-CG2 3.42Å; Y217-T243 WeakPolarHBondContact OH-CG2 3.2Å; Y217-L261 HydrophobicContact CD2-CD1 4.32Å; Y217-L261 HydrophobicContact CD2-CD2 3.74Å; Y217-L261 HydrophobicContact CE2-CD1 3.92Å; Y217-L261 HydrophobicContact CE2-CD2 3.43Å; Y217-L261 VanDerWaalsContact CE2-CD2 3.43Å; Y217-L261 HydrophobicContact CE2-CG 4.3Å; Y217-L279 HydrophobicContact CD1-CD2 4.29Å; Y217-I280 PolarHBondContact N-O 3.28Å; Y217-V281 HydrophobicContact CD1-CB 4.22Å; Y217-V281 HydrophobicContact CD1-CG1 3.71Å; Y217-V281 HydrophobicContact CD1-CG2 3.68Å; Y217-V281 HydrophobicContact CE1-CG1 4.02Å; Y217-V281 HydrophobicContact CG-CG1 4.4Å; Y217-V281 HydrophobicContact CG-CG2 4.43Å; Y217-V281 WeakPolarHBondContact O-CA 3.48Å; Y217-L282 PolarHBondContact O-N 3.29Å; Y217-A284 HydrophobicContact CE1-CB 3.99Å; Y217-A284 HydrophobicContact CE2-CB 4.04Å; Y217-F286 HydrophobicContact CD1-CE1 4.39Å; Y217-F286 HydrophobicContact CE1-CD1 4.04Å; Y217-F286 HydrophobicContact CE1-CE1 4.14Å |
| 218 | L | 98.5 | Very high | 97.2 | Very high | 0 Ų | 0 | 36.1 Ų | 36.1 | 0% | 0 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.3 | 129.9 | -174.4 | -54.8 | 179.9 | 0 | 0 | 0 | 112.4 | L216 V222 V229 T240 T241 M242 T243 A246 M249 L282 | L216-L218 HydrophobicContact CD1-CD2 4.16Å; L216-L218 HydrophobicContact CD2-CD2 3.97Å; L216-L218 HydrophobicContact CG-CD2 3.76Å; L216-L218 HydrophobicContact CG-CG 4.28Å; L218-V222 HydrophobicContact CB-CG2 4.11Å; L218-V222 HydrophobicContact CD2-CG1 4.12Å; L218-V222 HydrophobicContact CD2-CG2 4.37Å; L218-V229 HydrophobicContact CD1-CG1 3.56Å; L218-V229 HydrophobicContact CD2-CG1 3.82Å; L218-V229 HydrophobicContact CD2-CG2 4.45Å; L218-V229 HydrophobicContact CG-CG1 4.36Å; L218-T240 HydrophobicContact CD1-CG2 3.47Å; L218-T240 VanDerWaalsContact CD1-CG2 3.47Å; L218-T240 HydrophobicContact CG-CG2 3.86Å; L218-T241 PolarHBondContact N-O 3.29Å; L218-M242 HydrophobicContact CB-CG 4.14Å; L218-M242 HydrophobicContact CD1-CG 4.09Å; L218-T243 PolarHBondContact O-N 2.96Å; L218-A246 HydrophobicContact CB-CB 4.09Å; L218-A246 VanDerWaalsContact O-CB 3.3Å; L218-A246 WeakPolarHBondContact O-CB 3.46Å; L218-M249 HydrophobicContact CD1-CB 4.1Å; L218-L282 HydrophobicContact CD2-CB 4.16Å; L218-L282 HydrophobicContact CD2-CD1 4.16Å; L218-L282 HydrophobicContact CD2-CG 4.49Å |
| 219 | G | 98 | Very high | 97.2 | Very high | 1 Ų | 1 | 36.2 Ų | 36.2 | 1% | 0.01 | 22% | 0.215 | C | C | . | . | trans | -111.7 | 179.4 | 169.9 | 0 | 0 | 0 | 0 | 0 | 113.1 | G221 V222 L282 G283 | G219-G221 PolarHBondContact O-N 3.1Å; G219-V222 WeakPolarHBondContact O-CG2 3.4Å; G219-V222 PolarHBondContact O-N 2.63Å; G219-L282 PolarHBondContact N-O 3.47Å; G219-G283 CarbonylContact C-O 3.58Å; G219-G283 WeakPolarHBondContact CA-O 3.47Å | ||
| 220 | G | 96.9 | Very high | 97.2 | Very high | 30 Ų | 30 | 39.5 Ų | 39.5 | 31% | 0.309 | 23% | 0.225 | S | C | . | . | G | 310 helix | trans | -58.8 | -20.3 | -177.1 | 0 | 0 | 0 | 0 | 0 | 114.8 | V222 I223 G283 | G220-V222 PolarHBondContact O-N 3.29Å; G220-I223 WeakPolarHBondContact O-CB 3.31Å; G220-I223 PolarHBondContact O-N 2.69Å; G220-G283 PolarHBondContact N-O 2.63Å |
| 221 | G | 97 | Very high | 97.2 | Very high | 47 Ų | 47 | 40.9 Ų | 40.9 | 49% | 0.485 | 22% | 0.22 | S | C | . | . | G | 310 helix | trans | -66.6 | -13.2 | 178.1 | 0 | 0 | 0 | 0 | 0 | 114.8 | G219 G283 | G219-G221 PolarHBondContact O-N 3.1Å; G221-G283 PolarHBondContact N-O 3.05Å |
| 222 | V | 97.5 | Very high | 97.2 | Very high | 0 Ų | 0 | 40.5 Ų | 40.5 | 0% | 0 | 22% | 0.217 | C | C | . | . | G | 310 helix | trans | -88.4 | -2 | 179.7 | -46.5 | 0 | 0 | 0 | 0 | 114 | L218 G219 G220 N224 A225 V229 M249 L282 V327 | L218-V222 HydrophobicContact CB-CG2 4.11Å; L218-V222 HydrophobicContact CD2-CG1 4.12Å; L218-V222 HydrophobicContact CD2-CG2 4.37Å; G219-V222 WeakPolarHBondContact O-CG2 3.4Å; G219-V222 PolarHBondContact O-N 2.63Å; G220-V222 PolarHBondContact O-N 3.29Å; V222-N224 PolarHBondContact O-N 3.26Å; V222-A225 PolarHBondContact O-N 3.01Å; V222-V229 HydrophobicContact CB-CG2 4.09Å; V222-V229 HydrophobicContact CG2-CG2 4.5Å; V222-M249 HydrophobicContact CB-CE 4.32Å; V222-M249 HydrophobicContact CG2-CB 4.45Å; V222-M249 HydrophobicContact CG2-CE 3.61Å; V222-M249 HydrophobicContact CG2-CG 3.63Å; V222-M249 HydrophobicContact CG2-SD 3.87Å; V222-M249 WeakPolarHBondContact O-CE 3.4Å; V222-L282 HydrophobicContact CG1-CB 3.62Å; V222-L282 WeakPolarHBondContact CG1-O 3.39Å; V222-V327 HydrophobicContact CG1-CG1 4.11Å; V222-V327 HydrophobicContact CG1-CG2 4.42Å |
| 223 | I | 95.2 | Very high | 97.2 | Very high | 37 Ų | 37 | 33.7 Ų | 33.7 | 19% | 0.19 | 19% | 0.187 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -57.6 | -22.6 | -168.5 | -160.5 | 66.6 | 0 | 0 | 0 | 114.4 | G220 M249 P407 R408 | G220-I223 WeakPolarHBondContact O-CB 3.31Å; G220-I223 PolarHBondContact O-N 2.69Å; I223-M249 HydrophobicContact CD1-SD 3.96Å; I223-P407 HydrophobicContact CD1-CB 3.61Å; I223-P407 HydrophobicContact CG1-CB 4.3Å; I223-R408 HydrophobicContact CD1-CG 4.18Å; I223-R408 HydrophobicContact CG1-CG 3.82Å |
| 224 | N | 92.6 | Very high | 97.2 | Very high | 95 Ų | 95 | 33.4 Ų | 33.4 | 51% | 0.508 | 19% | 0.19 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -95.8 | -1.4 | 178.7 | -62.7 | -34.9 | 0 | 0 | 0 | 113.9 | V222 R408 | V222-N224 PolarHBondContact O-N 3.26Å; N224-R408 PolarHBondContact OD1-NH2 3.19Å |
| 225 | A | 95.9 | Very high | 97.1 | Very high | 4 Ų | 4 | 36.8 Ų | 36.8 | 3% | 0.033 | 21% | 0.205 | C | C | . | . | trans | -119.1 | 35.5 | -176.6 | 0 | 0 | 0 | 0 | 0 | 114.7 | V222 A227 R228 V229 D328 L331 | V222-A225 PolarHBondContact O-N 3.01Å; A225-A227 VanDerWaalsContact C-N 3.35Å; A225-A227 PolarHBondContact O-N 3.17Å; A225-R228 PolarHBondContact O-N 2.82Å; A225-V229 HydrophobicContact CB-CG2 4.29Å; A225-V229 WeakPolarHBondContact O-CB 3.23Å; A225-V229 VanDerWaalsContact O-CG2 3.29Å; A225-V229 WeakPolarHBondContact O-CG2 3.45Å; A225-V229 PolarHBondContact O-N 3.48Å; A225-D328 HydrophobicContact CB-CB 3.81Å; A225-D328 WeakPolarHBondContact CB-OD1 3.21Å; A225-L331 HydrophobicContact CB-CD1 4.37Å | ||
| 226 | P | 95.2 | Very high | 97.1 | Very high | 41 Ų | 41 | 36.8 Ų | 36.8 | 27% | 0.266 | 21% | 0.205 | S | C | . | . | H | α-helix | trans | -61.1 | -38.5 | -170.8 | 27.2 | -36.6 | 0 | 0 | 0 | 114.2 | R230 M249 P407 | P226-R230 WeakPolarHBondContact O-CB 3.33Å; P226-R230 PolarHBondContact O-N 3.27Å; P226-R230 VanDerWaalsContact O-N 3.12Å; P226-M249 HydrophobicContact CB-CE 3.75Å; P226-P407 HydrophobicContact CB-CG 4.06Å; P226-P407 HydrophobicContact CG-CG 4.12Å |
| 227 | A | 96.5 | Very high | 97 | Very high | 74 Ų | 74 | 40.1 Ų | 40.1 | 61% | 0.612 | 22% | 0.22 | S | C | * | . | H | α-helix | trans | -65.7 | -49.1 | -179.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | A225 R230 E231 | A225-A227 VanDerWaalsContact C-N 3.35Å; A225-A227 PolarHBondContact O-N 3.17Å; A227-R230 PolarHBondContact O-N 3.01Å; A227-E231 WeakPolarHBondContact O-CB 3.46Å; A227-E231 PolarHBondContact O-N 3.38Å |
| 228 | R | 97.7 | Very high | 97 | Very high | 87 Ų | 87 | 40 Ų | 40 | 33% | 0.328 | 22% | 0.22 | S | C | . | . | H | α-helix | trans | -70.4 | -35.4 | -179.4 | -70.2 | -165.9 | -177.9 | 85.2 | -13.1 | 112.9 | A225 R230 E231 L232 D328 L331 I335 | A225-R228 PolarHBondContact O-N 2.82Å; R228-R230 VanDerWaalsContact C-N 3.33Å; R228-E231 PolarHBondContact O-N 3.09Å; R228-L232 WeakPolarHBondContact O-CB 3.43Å; R228-L232 PolarHBondContact O-N 3.35Å; R228-D328 VanDerWaalsContact CD-OD1 3.32Å; R228-D328 WeakPolarHBondContact CD-OD1 3.42Å; R228-D328 IonicContact CZ-OD1 2.75Å; R228-D328 IonicContact CZ-OD2 2.65Å; R228-D328 IonicContact NE-OD1 2.89Å; R228-D328 IonicContact NH1-OD1 2.62Å; R228-D328 PolarHBondContact NH1-OD1 3.17Å; R228-D328 IonicContact NH1-OD2 3.12Å; R228-D328 PolarHBondContact NH1-OD2 2.84Å; R228-L331 HydrophobicContact CB-CB 3.86Å; R228-L331 HydrophobicContact CB-CD1 3.83Å; R228-I335 HydrophobicContact CB-CD1 3.97Å; R228-I335 HydrophobicContact CG-CD1 4.35Å; R228-I335 WeakPolarHBondContact O-CD1 3.24Å |
| 229 | V | 97.8 | Very high | 97 | Very high | 2 Ų | 2 | 40.1 Ų | 40.1 | 1% | 0.012 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -60.1 | -46.3 | 173.2 | 166.5 | 0 | 0 | 0 | 0 | 110.4 | L216 L218 V222 A225 L232 A233 M249 L331 | L216-V229 HydrophobicContact CD2-CG1 4.36Å; L218-V229 HydrophobicContact CD1-CG1 3.56Å; L218-V229 HydrophobicContact CD2-CG1 3.82Å; L218-V229 HydrophobicContact CD2-CG2 4.45Å; L218-V229 HydrophobicContact CG-CG1 4.36Å; V222-V229 HydrophobicContact CB-CG2 4.09Å; V222-V229 HydrophobicContact CG2-CG2 4.5Å; A225-V229 HydrophobicContact CB-CG2 4.29Å; A225-V229 WeakPolarHBondContact O-CB 3.23Å; A225-V229 VanDerWaalsContact O-CG2 3.29Å; A225-V229 WeakPolarHBondContact O-CG2 3.45Å; A225-V229 PolarHBondContact O-N 3.48Å; V229-L232 PolarHBondContact O-N 2.95Å; V229-A233 WeakPolarHBondContact O-CB 3.45Å; V229-A233 PolarHBondContact O-N 2.84Å; V229-M249 HydrophobicContact CB-CE 4.36Å; V229-M249 HydrophobicContact CG2-CE 4.34Å; V229-L331 HydrophobicContact CG2-CD1 3.68Å |
| 230 | R | 97.1 | Very high | 97 | Very high | 98 Ų | 98 | 40.1 Ų | 40.1 | 37% | 0.37 | 22% | 0.22 | S | C | . | . | H | α-helix | trans | -62.4 | -46.5 | 175.9 | -175.6 | 179.7 | -59.4 | 176 | 0.4 | 111.6 | P226 A227 R228 L232 A233 E234 L250 | P226-R230 WeakPolarHBondContact O-CB 3.33Å; P226-R230 PolarHBondContact O-N 3.27Å; P226-R230 VanDerWaalsContact O-N 3.12Å; A227-R230 PolarHBondContact O-N 3.01Å; R228-R230 VanDerWaalsContact C-N 3.33Å; R230-L232 PolarHBondContact O-N 2.93Å; R230-A233 PolarHBondContact O-N 3.33Å; R230-E234 WeakPolarHBondContact CD-OE1 3.35Å; R230-E234 HydrophobicContact CG-CG 4.17Å; R230-E234 WeakPolarHBondContact CG-OE1 3.48Å; R230-E234 WeakPolarHBondContact O-CB 3.5Å; R230-E234 WeakPolarHBondContact O-CG 3.49Å; R230-E234 PolarHBondContact O-N 3.3Å; R230-L250 HydrophobicContact CG-CD1 4.41Å |
| 231 | E | 97.8 | Very high | 97.1 | Very high | 98 Ų | 98 | 38.7 Ų | 38.7 | 46% | 0.458 | 21% | 0.205 | S | C | . | . | H | α-helix | trans | -57.3 | -46.2 | 177.7 | -176.3 | -176.6 | 179.2 | 0 | 0 | 111.9 | A227 R228 K235 I335 | A227-E231 WeakPolarHBondContact O-CB 3.46Å; A227-E231 PolarHBondContact O-N 3.38Å; R228-E231 PolarHBondContact O-N 3.09Å; E231-K235 WeakPolarHBondContact O-CB 3.4Å; E231-K235 PolarHBondContact O-N 3.25Å; E231-I335 HydrophobicContact CB-CD1 4.19Å; E231-I335 HydrophobicContact CG-CD1 4.2Å; E231-I335 HydrophobicContact CG-CG2 4.09Å; E231-I335 WeakPolarHBondContact OE1-CG2 3.45Å |
| 232 | L | 98.1 | Very high | 97.1 | Very high | 0 Ų | 0 | 36.6 Ų | 36.6 | 0% | 0 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -61.9 | -48.5 | 176.1 | 177.3 | 63.7 | 0 | 0 | 0 | 111.4 | L216 R228 V229 R230 E234 A236 L238 L282 L331 L334 I335 V338 | L216-L232 HydrophobicContact CD1-CD2 4.38Å; R228-L232 WeakPolarHBondContact O-CB 3.43Å; R228-L232 PolarHBondContact O-N 3.35Å; V229-L232 PolarHBondContact O-N 2.95Å; R230-L232 PolarHBondContact O-N 2.93Å; L232-E234 PolarHBondContact O-N 2.99Å; L232-A236 PolarHBondContact O-N 3.09Å; L232-A236 VanDerWaalsContact O-N 3.08Å; L232-L238 HydrophobicContact CD1-CD1 4.42Å; L232-L238 HydrophobicContact CD2-CD1 4.4Å; L232-L238 HydrophobicContact CG-CD1 3.99Å; L232-L282 HydrophobicContact CD2-CD1 4.44Å; L232-L331 HydrophobicContact CB-CD2 4.28Å; L232-L331 HydrophobicContact CD2-CD2 3.45Å; L232-L331 VanDerWaalsContact CD2-CD2 3.45Å; L232-L331 HydrophobicContact CG-CD2 4.41Å; L232-L334 HydrophobicContact CD2-CD2 4.43Å; L232-I335 HydrophobicContact CB-CD1 4.2Å; L232-I335 HydrophobicContact CB-CG1 3.98Å; L232-I335 HydrophobicContact CD1-CG1 4.23Å; L232-V338 HydrophobicContact CD1-CB 4.45Å; L232-V338 HydrophobicContact CD1-CG1 4.29Å; L232-V338 HydrophobicContact CD1-CG2 4.14Å |
| 233 | A | 97.8 | Very high | 97.1 | Very high | 0 Ų | 0 | 37.6 Ų | 37.6 | 0% | 0 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -60 | -47.3 | -178.7 | 0 | 0 | 0 | 0 | 0 | 111.4 | L216 V229 R230 Q237 L238 L256 | L216-A233 HydrophobicContact CD2-CB 4Å; V229-A233 WeakPolarHBondContact O-CB 3.45Å; V229-A233 PolarHBondContact O-N 2.84Å; R230-A233 PolarHBondContact O-N 3.33Å; A233-Q237 CarbonylContact O-C 3.16Å; A233-Q237 WeakPolarHBondContact O-CA 3.37Å; A233-Q237 PolarHBondContact O-N 3.47Å; A233-L238 PolarHBondContact O-N 3.37Å; A233-L256 VanDerWaalsContact C-CD1 3.5Å; A233-L256 HydrophobicContact CB-CD1 4.18Å; A233-L256 WeakPolarHBondContact O-CD1 3.46Å |
| 234 | E | 97.5 | Very high | 97.2 | Very high | 87 Ų | 87 | 37.4 Ų | 37.4 | 41% | 0.407 | 19% | 0.188 | S | C | . | . | H | α-helix | trans | -68.8 | -45.1 | 179.3 | -70.7 | 173.4 | 176.9 | 0 | 0 | 112.1 | R230 L232 A236 Q237 H254 | R230-E234 WeakPolarHBondContact CD-OE1 3.35Å; R230-E234 HydrophobicContact CG-CG 4.17Å; R230-E234 WeakPolarHBondContact CG-OE1 3.48Å; R230-E234 WeakPolarHBondContact O-CB 3.5Å; R230-E234 WeakPolarHBondContact O-CG 3.49Å; R230-E234 PolarHBondContact O-N 3.3Å; L232-E234 PolarHBondContact O-N 2.99Å; E234-A236 PolarHBondContact O-N 3.47Å; E234-Q237 PolarHBondContact O-N 3.49Å; E234-Q237 PolarHBondContact O-NE2 3.05Å; E234-H254 IonicContact OE1-NE2 2.67Å; E234-H254 PolarHBondContact OE1-NE2 2.92Å |
| 235 | K | 97.3 | Very high | 97.4 | Very high | 70 Ų | 70 | 35.4 Ų | 35.4 | 30% | 0.304 | 18% | 0.177 | S | C | . | . | H | α-helix | trans | -62.1 | -46.7 | -178 | -175 | 179.3 | -179.7 | -171.2 | 0 | 111.7 | E231 I335 V338 A340 | E231-K235 WeakPolarHBondContact O-CB 3.4Å; E231-K235 PolarHBondContact O-N 3.25Å; K235-I335 HydrophobicContact CD-CG2 4.01Å; K235-I335 PolarHBondContact NZ-O 3.38Å; K235-V338 WeakPolarHBondContact CE-O 3.36Å; K235-V338 PolarHBondContact NZ-O 3.37Å; K235-A340 VanDerWaalsContact O-CA 3.3Å; K235-A340 WeakPolarHBondContact O-CA 3.39Å |
| 236 | A | 97.3 | Very high | 97.5 | Very high | 0 Ų | 0 | 35.2 Ų | 35.2 | 0% | 0 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -95 | 3.7 | -176.7 | 0 | 0 | 0 | 0 | 0 | 114 | I208 L232 E234 L238 V338 R343 | I208-A236 HydrophobicContact CG2-CB 4.4Å; L232-A236 PolarHBondContact O-N 3.09Å; L232-A236 VanDerWaalsContact O-N 3.08Å; E234-A236 PolarHBondContact O-N 3.47Å; A236-L238 HydrophobicContact CB-CD1 4.05Å; A236-L238 HydrophobicContact CB-CD2 3.77Å; A236-L238 HydrophobicContact CB-CG 3.72Å; A236-L238 WeakPolarHBondContact O-CD2 3.36Å; A236-V338 HydrophobicContact CB-CG1 3.6Å; A236-R343 WeakPolarHBondContact O-CD 3.44Å; A236-R343 PolarHBondContact O-NE 3.35Å |
| 237 | Q | 97.8 | Very high | 97.6 | Very high | 70 Ų | 70 | 33.9 Ų | 33.9 | 33% | 0.327 | 17% | 0.166 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 48.6 | 61.5 | -177 | -63.7 | -73 | -62.9 | 0 | 0 | 111.6 | A233 E234 P239 Q341 H347 | A233-Q237 CarbonylContact O-C 3.16Å; A233-Q237 WeakPolarHBondContact O-CA 3.37Å; A233-Q237 PolarHBondContact O-N 3.47Å; E234-Q237 PolarHBondContact O-N 3.49Å; E234-Q237 PolarHBondContact O-NE2 3.05Å; Q237-P239 WeakPolarHBondContact O-CD 3.48Å; Q237-Q341 WeakPolarHBondContact CB-O 3.4Å; Q237-Q341 WeakPolarHBondContact CG-O 3.45Å; Q237-H347 WeakPolarHBondContact CB-NE2 3.47Å; Q237-H347 PolarHBondContact O-NE2 2.91Å |
| 238 | L | 98.3 | Very high | 97.5 | Very high | 0 Ų | 0 | 30.4 Ų | 30.4 | 0% | 0 | 14% | 0.137 | C | C | . | . | trans | -99.1 | 113.1 | -175.1 | -51.7 | 176.8 | 0 | 0 | 0 | 110.3 | P214 L216 L232 A233 A236 T240 I280 | P214-L238 HydrophobicContact CB-CD2 3.86Å; P214-L238 HydrophobicContact CG-CD2 3.47Å; P214-L238 VanDerWaalsContact CG-CD2 3.47Å; L216-L238 HydrophobicContact CB-CB 4.08Å; L216-L238 HydrophobicContact CB-CD1 4.36Å; L232-L238 HydrophobicContact CD1-CD1 4.42Å; L232-L238 HydrophobicContact CD2-CD1 4.4Å; L232-L238 HydrophobicContact CG-CD1 3.99Å; A233-L238 PolarHBondContact O-N 3.37Å; A236-L238 HydrophobicContact CB-CD1 4.05Å; A236-L238 HydrophobicContact CB-CD2 3.77Å; A236-L238 HydrophobicContact CB-CG 3.72Å; A236-L238 WeakPolarHBondContact O-CD2 3.36Å; L238-T240 PolarHBondContact O-N 2.77Å; L238-T240 PolarHBondContact O-OG1 3.11Å; L238-I280 HydrophobicContact CD1-CD1 3.77Å; L238-I280 HydrophobicContact CD2-CD1 4.34Å | ||
| 239 | P | 98.2 | Very high | 97.4 | Very high | 1 Ų | 1 | 26.4 Ų | 26.4 | 1% | 0.006 | 12% | 0.122 | C | C | . | . | trans | -52.1 | 127.7 | 162.8 | -26.6 | 36.4 | 0 | 0 | 0 | 110.1 | V215 L216 Q237 L258 V350 | V215-P239 WeakPolarHBondContact CA-O 3.06Å; L216-P239 PolarHBondContact N-O 2.8Å; Q237-P239 WeakPolarHBondContact O-CD 3.48Å; P239-L258 HydrophobicContact CB-CD1 3.76Å; P239-L258 HydrophobicContact CB-CD2 4.06Å; P239-L258 HydrophobicContact CB-CG 4.01Å; P239-V350 HydrophobicContact CB-CG2 4.36Å; P239-V350 HydrophobicContact CG-CG2 3.9Å | ||
| 240 | T | 98.4 | Very high | 97.3 | Very high | 1 Ų | 1 | 26.4 Ų | 26.4 | 1% | 0.006 | 12% | 0.122 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.4 | 121.4 | -165.6 | -62 | 0 | 0 | 0 | 0 | 110.7 | L216 L218 L238 L250 L256 L258 | L216-T240 HydrophobicContact CB-CG2 4.21Å; L216-T240 HydrophobicContact CD2-CG2 4Å; L216-T240 HydrophobicContact CG-CG2 4.19Å; L216-T240 CarbonylContact O-C 3.5Å; L216-T240 WeakPolarHBondContact O-CA 3.43Å; L218-T240 HydrophobicContact CD1-CG2 3.47Å; L218-T240 VanDerWaalsContact CD1-CG2 3.47Å; L218-T240 HydrophobicContact CG-CG2 3.86Å; L238-T240 PolarHBondContact O-N 2.77Å; L238-T240 PolarHBondContact O-OG1 3.11Å; T240-L250 HydrophobicContact CG2-CD2 4.15Å; T240-L256 PolarHBondContact N-O 2.81Å; T240-L258 WeakPolarHBondContact O-CB 3.23Å; T240-L258 PolarHBondContact O-N 3.14Å |
| 241 | T | 97.9 | Very high | 97.2 | Very high | 0 Ų | 0 | 23 Ų | 23 | 0% | 0 | 11% | 0.113 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.2 | 153.9 | 174.3 | -171.5 | 0 | 0 | 0 | 0 | 111.5 | V215 L216 Y217 L218 G259 L261 T269 L273 | V215-T241 HydrophobicContact CG1-CG2 4.12Å; L216-T241 PolarHBondContact O-N 2.66Å; Y217-T241 HydrophobicContact CD2-CG2 4.07Å; Y217-T241 HydrophobicContact CG-CG2 4.38Å; L218-T241 PolarHBondContact N-O 3.29Å; T241-G259 PolarHBondContact OG1-O 2.82Å; T241-L261 HydrophobicContact CG2-CD2 3.97Å; T241-L261 WeakPolarHBondContact OG1-CB 3.38Å; T241-L261 WeakPolarHBondContact OG1-CD2 3.2Å; T241-T269 VanDerWaalsContact OG1-CG2 3.25Å; T241-T269 WeakPolarHBondContact OG1-CG2 3.19Å; T241-L273 HydrophobicContact CG2-CD1 4.37Å; T241-L273 HydrophobicContact CG2-CD2 4.12Å |
| 242 | M | 97.7 | Very high | 96.9 | Very high | 4 Ų | 4 | 22.6 Ų | 22.6 | 2% | 0.02 | 11% | 0.11 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.1 | 138.1 | -173.9 | -70.3 | 169.9 | -74.6 | 0 | 0 | 111.4 | L218 A246 L247 M249 L250 G259 M260 L261 | L218-M242 HydrophobicContact CB-CG 4.14Å; L218-M242 HydrophobicContact CD1-CG 4.09Å; M242-A246 HydrophobicContact CB-CB 4.02Å; M242-A246 HydrophobicContact CG-CB 4.23Å; M242-L247 HydrophobicContact CB-CD2 4.14Å; M242-M249 HydrophobicContact SD-CB 4.05Å; M242-L250 HydrophobicContact CE-CB 4.3Å; M242-L250 HydrophobicContact SD-CB 4.25Å; M242-G259 PolarHBondContact N-O 2.82Å; M242-M260 WeakPolarHBondContact O-CA 3.15Å; M242-L261 VanDerWaalsContact C-CD2 3.42Å; M242-L261 VanDerWaalsContact O-CD2 3.24Å; M242-L261 WeakPolarHBondContact O-CD2 3.37Å; M242-L261 PolarHBondContact O-N 2.8Å |
| 243 | T | 97.5 | Very high | 96.6 | Very high | 21 Ų | 21 | 27.2 Ų | 27.2 | 13% | 0.129 | 15% | 0.148 | C | C | . | . | trans | -63.8 | 166 | 162 | 65.2 | 0 | 0 | 0 | 0 | 110.5 | Y217 L218 M245 A246 L247 A284 | Y217-T243 HydrophobicContact CE2-CG2 3.42Å; Y217-T243 VanDerWaalsContact CE2-CG2 3.42Å; Y217-T243 WeakPolarHBondContact OH-CG2 3.2Å; L218-T243 PolarHBondContact O-N 2.96Å; T243-M245 PolarHBondContact O-N 3.44Å; T243-M245 VanDerWaalsContact O-N 3.12Å; T243-M245 PolarHBondContact OG1-N 3.47Å; T243-A246 PolarHBondContact O-N 2.77Å; T243-A246 PolarHBondContact OG1-N 2.84Å; T243-L247 PolarHBondContact O-N 3.45Å; T243-A284 HydrophobicContact CG2-CB 4.4Å | ||
| 244 | L | 97.3 | Very high | 96.5 | Very high | 32 Ų | 32 | 28.8 Ų | 28.8 | 17% | 0.168 | 16% | 0.155 | C | C | . | . | G | 310 helix | trans | -48.6 | -36.8 | 167.5 | -173.8 | 68.5 | 0 | 0 | 0 | 112.8 | A246 L247 M260 M396 A399 W410 T412 | L244-A246 VanDerWaalsContact C-N 3.31Å; L244-A246 PolarHBondContact O-N 3.49Å; L244-L247 HydrophobicContact CD1-CD1 4.02Å; L244-M260 HydrophobicContact CB-SD 4.17Å; L244-M260 HydrophobicContact CD1-SD 3.75Å; L244-M396 HydrophobicContact CD1-CE 4.05Å; L244-M396 HydrophobicContact CD2-CE 4.05Å; L244-A399 HydrophobicContact CD1-CB 3.71Å; L244-W410 HydrophobicContact CD1-CZ2 3.8Å; L244-W410 PolarHBondContact O-NE1 2.9Å; L244-W410 VanDerWaalsContact O-NE1 3.1Å; L244-T412 HydrophobicContact CD2-CG2 3.93Å; L244-T412 HydrophobicContact CG-CG2 3.99Å |
| 245 | M | 97 | Very high | 96.4 | Very high | 53 Ų | 53 | 30.1 Ų | 30.1 | 26% | 0.261 | 17% | 0.171 | S | C | . | . | G | 310 helix | trans | -79.8 | -10.8 | -178.2 | -57 | -49.8 | -66.8 | 0 | 0 | 114 | D101 T243 T412 | D101-M245 HydrophobicContact CB-CE 4.13Å; T243-M245 PolarHBondContact O-N 3.44Å; T243-M245 VanDerWaalsContact O-N 3.12Å; T243-M245 PolarHBondContact OG1-N 3.47Å; M245-T412 HydrophobicContact SD-CG2 4.22Å |
| 246 | A | 97.3 | Very high | 96.4 | Very high | 0 Ų | 0 | 27.2 Ų | 27.2 | 0% | 0 | 16% | 0.159 | C | C | . | . | G | 310 helix | trans | -109.2 | 3.1 | -178.6 | 0 | 0 | 0 | 0 | 0 | 113.2 | L218 M242 T243 L244 G248 M249 | L218-A246 HydrophobicContact CB-CB 4.09Å; L218-A246 VanDerWaalsContact O-CB 3.3Å; L218-A246 WeakPolarHBondContact O-CB 3.46Å; M242-A246 HydrophobicContact CB-CB 4.02Å; M242-A246 HydrophobicContact CG-CB 4.23Å; T243-A246 PolarHBondContact O-N 2.77Å; T243-A246 PolarHBondContact OG1-N 2.84Å; L244-A246 VanDerWaalsContact C-N 3.31Å; L244-A246 PolarHBondContact O-N 3.49Å; A246-G248 PolarHBondContact O-N 3.36Å; A246-M249 HydrophobicContact CB-CG 4.32Å; A246-M249 VanDerWaalsContact O-CB 3.26Å; A246-M249 WeakPolarHBondContact O-CB 3.46Å; A246-M249 WeakPolarHBondContact O-CG 3.38Å; A246-M249 PolarHBondContact O-N 2.86Å; A246-M249 VanDerWaalsContact O-N 3.11Å |
| 247 | L | 96.9 | Very high | 96.4 | Very high | 13 Ų | 13 | 27.8 Ų | 27.8 | 7% | 0.068 | 16% | 0.163 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -58.7 | 136.2 | 179.7 | -63.3 | 179.1 | 0 | 0 | 0 | 111.2 | M242 T243 L244 M260 A399 L404 W410 | M242-L247 HydrophobicContact CB-CD2 4.14Å; T243-L247 PolarHBondContact O-N 3.45Å; L244-L247 HydrophobicContact CD1-CD1 4.02Å; L247-M260 HydrophobicContact CD1-SD 4.15Å; L247-M260 HydrophobicContact CD2-CB 4.04Å; L247-M260 HydrophobicContact CD2-CG 4.34Å; L247-A399 HydrophobicContact CD1-CB 3.78Å; L247-L404 HydrophobicContact CB-CD1 3.61Å; L247-L404 HydrophobicContact CD1-CD1 3.87Å; L247-L404 HydrophobicContact CG-CD1 4.37Å; L247-W410 HydrophobicContact CB-CG 4.45Å |
| 248 | G | 95.1 | Very high | 96.3 | Very high | 2 Ų | 2 | 24.8 Ų | 24.8 | 2% | 0.021 | 15% | 0.149 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 90 | -7.4 | -173.8 | 0 | 0 | 0 | 0 | 0 | 114.8 | A246 L250 N405 R406 | A246-G248 PolarHBondContact O-N 3.36Å; G248-L250 VanDerWaalsContact C-N 3.29Å; G248-L250 PolarHBondContact O-N 3.05Å; G248-N405 CarbonylContact O-C 3.56Å; G248-R406 CarbonylContact O-C 3.48Å; G248-R406 WeakPolarHBondContact O-CA 3.44Å; G248-R406 PolarHBondContact O-N 2.89Å |
| 249 | M | 96.4 | Very high | 96.1 | Very high | 2 Ų | 2 | 25.7 Ų | 25.7 | 1% | 0.01 | 16% | 0.158 | C | C | . | . | S | Bend | trans | -62.7 | -37.8 | 173 | -76.8 | -60.8 | -50.8 | 0 | 0 | 112.6 | L218 V222 I223 P226 V229 M242 A246 P407 | L218-M249 HydrophobicContact CD1-CB 4.1Å; V222-M249 HydrophobicContact CB-CE 4.32Å; V222-M249 HydrophobicContact CG2-CB 4.45Å; V222-M249 HydrophobicContact CG2-CE 3.61Å; V222-M249 HydrophobicContact CG2-CG 3.63Å; V222-M249 HydrophobicContact CG2-SD 3.87Å; V222-M249 WeakPolarHBondContact O-CE 3.4Å; I223-M249 HydrophobicContact CD1-SD 3.96Å; P226-M249 HydrophobicContact CB-CE 3.75Å; V229-M249 HydrophobicContact CB-CE 4.36Å; V229-M249 HydrophobicContact CG2-CE 4.34Å; M242-M249 HydrophobicContact SD-CB 4.05Å; A246-M249 HydrophobicContact CB-CG 4.32Å; A246-M249 VanDerWaalsContact O-CB 3.26Å; A246-M249 WeakPolarHBondContact O-CB 3.46Å; A246-M249 WeakPolarHBondContact O-CG 3.38Å; A246-M249 PolarHBondContact O-N 2.86Å; A246-M249 VanDerWaalsContact O-N 3.11Å; M249-P407 HydrophobicContact SD-CB 3.9Å |
| 250 | L | 95.6 | Very high | 96 | Very high | 2 Ų | 2 | 26.3 Ų | 26.3 | 1% | 0.01 | 16% | 0.161 | C | C | . | . | S | Bend | trans | -121.7 | 132.7 | 168.1 | -161.2 | 67.5 | 0 | 0 | 0 | 108.2 | R230 T240 M242 G248 H254 L256 | R230-L250 HydrophobicContact CG-CD1 4.41Å; T240-L250 HydrophobicContact CG2-CD2 4.15Å; M242-L250 HydrophobicContact CE-CB 4.3Å; M242-L250 HydrophobicContact SD-CB 4.25Å; G248-L250 VanDerWaalsContact C-N 3.29Å; G248-L250 PolarHBondContact O-N 3.05Å; L250-H254 HydrophobicContact CD1-CB 4.27Å; L250-H254 HydrophobicContact CD2-CB 4.12Å; L250-H254 HydrophobicContact CG-CB 3.73Å; L250-L256 HydrophobicContact CD2-CB 4.3Å |
| 251 | P | 94.3 | Very high | 95.8 | Very high | 28 Ų | 28 | 26.6 Ų | 26.6 | 18% | 0.182 | 16% | 0.163 | C | C | . | . | trans | -55 | 144.5 | -180 | -26.1 | 33.6 | 0 | 0 | 0 | 112.8 | A253 H254 S257 N405 | P251-A253 PolarHBondContact O-N 3.43Å; P251-H254 HydrophobicContact CB-CB 4.28Å; P251-H254 WeakPolarHBondContact O-CB 3.21Å; P251-H254 PolarHBondContact O-N 2.6Å; P251-S257 WeakPolarHBondContact O-CB 3.43Å; P251-N405 HydrophobicContact CB-CB 4.15Å | ||
| 252 | K | 90.7 | Very high | 95.6 | Very high | 89 Ų | 89 | 26.6 Ų | 26.6 | 39% | 0.387 | 16% | 0.163 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -55.9 | -38.5 | -178.6 | -176.5 | 173.7 | 178.9 | 170.4 | 0 | 112.4 | H254 Q400 A401 N405 | K252-H254 VanDerWaalsContact C-N 3.33Å; K252-Q400 PolarHBondContact NZ-O 3.47Å; K252-A401 VanDerWaalsContact NZ-C 3.32Å; K252-A401 PolarHBondContact NZ-O 3.34Å; K252-N405 PolarHBondContact N-OD1 3.36Å |
| 253 | A | 92.5 | Very high | 95.3 | Very high | 96 Ų | 96 | 27.5 Ų | 27.5 | 79% | 0.793 | 17% | 0.167 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -85.9 | 3.5 | 178.9 | 0 | 0 | 0 | 0 | 0 | 114.3 | P251 | P251-A253 PolarHBondContact O-N 3.43Š|
| 254 | H | 95.8 | Very high | 95.1 | Very high | 33 Ų | 33 | 27.1 Ų | 27.1 | 15% | 0.153 | 16% | 0.164 | C | C | . | . | trans | -66.1 | 135.3 | 178.6 | -171.9 | -80.9 | 0 | 0 | 0 | 110.4 | E234 L250 P251 K252 L256 S257 | E234-H254 IonicContact OE1-NE2 2.67Å; E234-H254 PolarHBondContact OE1-NE2 2.92Å; L250-H254 HydrophobicContact CD1-CB 4.27Å; L250-H254 HydrophobicContact CD2-CB 4.12Å; L250-H254 HydrophobicContact CG-CB 3.73Å; P251-H254 HydrophobicContact CB-CB 4.28Å; P251-H254 WeakPolarHBondContact O-CB 3.21Å; P251-H254 PolarHBondContact O-N 2.6Å; K252-H254 VanDerWaalsContact C-N 3.33Å; H254-L256 PolarHBondContact ND1-N 3.25Å; H254-L256 VanDerWaalsContact ND1-N 3.12Å; H254-L256 PolarHBondContact O-N 3.43Å; H254-L256 VanDerWaalsContact O-N 3.09Å; H254-S257 VanDerWaalsContact O-CB 3.29Å; H254-S257 WeakPolarHBondContact O-CB 3.27Å; H254-S257 PolarHBondContact O-N 2.87Å | ||
| 255 | P | 95.4 | Very high | 94.7 | Very high | 116 Ų | 116 | 25.6 Ų | 25.6 | 75% | 0.753 | 16% | 0.156 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -58.4 | -29.2 | -174.5 | -26.9 | 34.7 | 0 | 0 | 0 | 115.1 | ||
| 256 | L | 97.3 | Very high | 94.3 | Very high | 9 Ų | 9 | 24.4 Ų | 24.4 | 5% | 0.047 | 15% | 0.152 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -87.8 | -3.4 | 176.7 | -58.9 | 178.6 | 0 | 0 | 0 | 114.1 | A233 T240 L250 H254 L258 H347 | A233-L256 VanDerWaalsContact C-CD1 3.5Å; A233-L256 HydrophobicContact CB-CD1 4.18Å; A233-L256 WeakPolarHBondContact O-CD1 3.46Å; T240-L256 PolarHBondContact N-O 2.81Å; L250-L256 HydrophobicContact CD2-CB 4.3Å; H254-L256 PolarHBondContact ND1-N 3.25Å; H254-L256 VanDerWaalsContact ND1-N 3.12Å; H254-L256 PolarHBondContact O-N 3.43Å; H254-L256 VanDerWaalsContact O-N 3.09Å; L256-L258 PolarHBondContact O-N 2.84Å; L256-H347 WeakPolarHBondContact CD2-CE1 3.46Å |
| 257 | S | 96.7 | Very high | 94 | Very high | 11 Ų | 11 | 26.8 Ų | 26.8 | 8% | 0.077 | 16% | 0.161 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -77.8 | 124.9 | -177.8 | -168.5 | 0 | 0 | 0 | 0 | 111.1 | P251 H254 G259 | P251-S257 WeakPolarHBondContact O-CB 3.43Å; H254-S257 VanDerWaalsContact O-CB 3.29Å; H254-S257 WeakPolarHBondContact O-CB 3.27Å; H254-S257 PolarHBondContact O-N 2.87Å; S257-G259 PolarHBondContact OG-N 2.92Å |
| 258 | L | 96.2 | Very high | 93.7 | Very high | 7 Ų | 7 | 26.4 Ų | 26.4 | 4% | 0.037 | 16% | 0.159 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.3 | -3.6 | 169.1 | -56.3 | -177.9 | 0 | 0 | 0 | 111.4 | V215 P239 T240 L256 T269 I272 V350 | V215-L258 HydrophobicContact CG1-CD1 4.23Å; P239-L258 HydrophobicContact CB-CD1 3.76Å; P239-L258 HydrophobicContact CB-CD2 4.06Å; P239-L258 HydrophobicContact CB-CG 4.01Å; T240-L258 WeakPolarHBondContact O-CB 3.23Å; T240-L258 PolarHBondContact O-N 3.14Å; L256-L258 PolarHBondContact O-N 2.84Å; L258-T269 HydrophobicContact CB-CG2 3.76Å; L258-T269 HydrophobicContact CD1-CG2 4.43Å; L258-T269 PolarHBondContact O-OG1 3.06Å; L258-I272 HydrophobicContact CD1-CB 4.42Å; L258-I272 HydrophobicContact CD1-CD1 4.43Å; L258-I272 HydrophobicContact CD1-CG2 3.72Å; L258-I272 HydrophobicContact CD2-CD1 3.68Å; L258-V350 HydrophobicContact CD2-CG1 3.95Å |
| 259 | G | 93.8 | Very high | 93.7 | Very high | 19 Ų | 19 | 26.3 Ų | 26.3 | 20% | 0.196 | 16% | 0.158 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 68.5 | -151.1 | -174.3 | 0 | 0 | 0 | 0 | 0 | 113.2 | T241 M242 S257 | T241-G259 PolarHBondContact OG1-O 2.82Å; M242-G259 PolarHBondContact N-O 2.82Å; S257-G259 PolarHBondContact OG-N 2.92Å |
| 260 | M | 95.7 | Very high | 93.4 | Very high | 15 Ų | 15 | 26.3 Ų | 26.3 | 7% | 0.074 | 16% | 0.158 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -80 | 136.5 | -175.3 | -164.8 | 171.2 | 64.2 | 0 | 0 | 111.9 | M242 L244 L247 H264 G265 V266 A399 Q400 | M242-M260 WeakPolarHBondContact O-CA 3.15Å; L244-M260 HydrophobicContact CB-SD 4.17Å; L244-M260 HydrophobicContact CD1-SD 3.75Å; L247-M260 HydrophobicContact CD1-SD 4.15Å; L247-M260 HydrophobicContact CD2-CB 4.04Å; L247-M260 HydrophobicContact CD2-CG 4.34Å; M260-H264 HydrophobicContact CE-CB 4.43Å; M260-H264 WeakPolarHBondContact CE-O 3.23Å; M260-G265 CarbonylContact O-C 3.56Å; M260-G265 WeakPolarHBondContact O-CA 3.45Å; M260-V266 PolarHBondContact O-N 2.81Å; M260-A399 HydrophobicContact CE-CB 4.33Å; M260-A399 HydrophobicContact SD-CB 4.24Å; M260-Q400 HydrophobicContact CE-CG 4.42Å |
| 261 | L | 95 | Very high | 93.3 | Very high | 7 Ų | 7 | 28.5 Ų | 28.5 | 4% | 0.037 | 17% | 0.167 | C | C | . | . | trans | -93.7 | 170 | 167.9 | 72.9 | 152.9 | 0 | 0 | 0 | 112.5 | Y217 T241 M242 T269 L273 A290 F297 | Y217-L261 HydrophobicContact CD2-CD1 4.32Å; Y217-L261 HydrophobicContact CD2-CD2 3.74Å; Y217-L261 HydrophobicContact CE2-CD1 3.92Å; Y217-L261 HydrophobicContact CE2-CD2 3.43Å; Y217-L261 VanDerWaalsContact CE2-CD2 3.43Å; Y217-L261 HydrophobicContact CE2-CG 4.3Å; T241-L261 HydrophobicContact CG2-CD2 3.97Å; T241-L261 WeakPolarHBondContact OG1-CB 3.38Å; T241-L261 WeakPolarHBondContact OG1-CD2 3.2Å; M242-L261 VanDerWaalsContact C-CD2 3.42Å; M242-L261 VanDerWaalsContact O-CD2 3.24Å; M242-L261 WeakPolarHBondContact O-CD2 3.37Å; M242-L261 PolarHBondContact O-N 2.8Å; L261-T269 HydrophobicContact CB-CG2 4.15Å; L261-L273 HydrophobicContact CB-CD1 3.85Å; L261-L273 HydrophobicContact CD1-CD1 3.87Å; L261-L273 HydrophobicContact CG-CD1 4.48Å; L261-A290 HydrophobicContact CD1-CB 4.14Å; L261-A290 HydrophobicContact CG-CB 4.35Å; L261-F297 HydrophobicContact CD1-CE2 4.27Å; L261-F297 HydrophobicContact CD1-CZ 4.17Å | ||
| 262 | G | 92.9 | Very high | 93.3 | Very high | 0 Ų | 0 | 27.2 Ų | 27.2 | 0% | 0 | 16% | 0.158 | C | C | . | . | S | Bend | trans | 100.7 | -154.7 | 167.2 | 0 | 0 | 0 | 0 | 0 | 114.3 | H264 G265 N270 R289 A290 | G262-H264 VanDerWaalsContact C-N 3.33Å; G262-H264 PolarHBondContact O-N 3.3Å; G262-G265 PolarHBondContact O-N 2.96Å; G262-N270 PolarHBondContact N-OD1 3.14Å; G262-N270 PolarHBondContact O-ND2 3.41Å; G262-N270 VanDerWaalsContact O-ND2 3.14Å; G262-R289 CarbonylContact C-O 3.05Å; G262-R289 VanDerWaalsContact CA-O 3.28Å; G262-R289 WeakPolarHBondContact CA-O 3.36Å; G262-A290 WeakPolarHBondContact CA-O 3.32Å |
| 263 | M | 92.1 | Very high | 93.5 | Very high | 23 Ų | 23 | 23 Ų | 23 | 11% | 0.113 | 14% | 0.14 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -52 | -48.7 | -170.3 | 177.2 | 170.2 | -74.6 | 0 | 0 | 112.5 | R289 M549 V550 | M263-R289 VanDerWaalsContact CE-NH1 3.3Å; M263-R289 PolarHBondContact N-O 2.84Å; M263-M549 CarbonylContact O-C 3.4Å; M263-M549 WeakPolarHBondContact O-CA 3.44Å; M263-V550 WeakPolarHBondContact CG-O 3.43Å; M263-V550 PolarHBondContact O-N 2.99Å |
| 264 | H | 92.9 | Very high | 93.5 | Very high | 12 Ų | 12 | 20.7 Ų | 20.7 | 6% | 0.056 | 11% | 0.113 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -110.7 | 21.9 | 176.2 | -64.3 | -58.2 | 0 | 0 | 0 | 112.7 | M260 G262 M396 Q400 V546 P548 | M260-H264 HydrophobicContact CE-CB 4.43Å; M260-H264 WeakPolarHBondContact CE-O 3.23Å; G262-H264 VanDerWaalsContact C-N 3.33Å; G262-H264 PolarHBondContact O-N 3.3Å; H264-M396 HydrophobicContact CB-CB 4.47Å; H264-M396 HydrophobicContact CB-CG 4.35Å; H264-M396 HydrophobicContact CB-SD 4.04Å; H264-Q400 PolarHBondContact O-NE2 3.39Å; H264-V546 HydrophobicContact CB-CG1 3.92Å; H264-V546 VanDerWaalsContact ND1-CG1 3.35Å; H264-V546 WeakPolarHBondContact ND1-CG1 3.48Å; H264-P548 WeakPolarHBondContact CA-O 3.19Å; H264-P548 PolarHBondContact ND1-O 3.47Å; H264-P548 VanDerWaalsContact ND1-O 3.08Å |
| 265 | G | 90.2 | Very high | 93.5 | Very high | 1 Ų | 1 | 23 Ų | 23 | 1% | 0.01 | 12% | 0.124 | C | C | . | . | S | Bend | trans | -69.6 | 175 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.9 | M260 G262 M559 | M260-G265 CarbonylContact O-C 3.56Å; M260-G265 WeakPolarHBondContact O-CA 3.45Å; G262-G265 PolarHBondContact O-N 2.96Å; G265-M559 WeakPolarHBondContact O-CE 3.13Å |
| 266 | V | 88.5 | Confident | 93.6 | Very high | 27 Ų | 27 | 17.5 Ų | 17.5 | 16% | 0.164 | 9% | 0.088 | C | C | . | . | trans | -72 | 136.9 | 174.1 | -176.3 | 0 | 0 | 0 | 0 | 109.5 | M260 S268 T269 N270 C359 | M260-V266 PolarHBondContact O-N 2.81Å; V266-S268 VanDerWaalsContact CG1-OG 3.29Å; V266-S268 WeakPolarHBondContact CG1-OG 3.33Å; V266-S268 PolarHBondContact O-N 3.28Å; V266-T269 WeakPolarHBondContact O-CB 3.41Å; V266-T269 PolarHBondContact O-N 3.46Å; V266-N270 PolarHBondContact O-N 2.9Å; V266-C359 HydrophobicContact CG1-CB 3.96Å; V266-C359 HydrophobicContact CG2-CB 4.26Å | ||
| 267 | R | 89.6 | Confident | 93.6 | Very high | 50 Ų | 50 | 18.9 Ų | 18.9 | 19% | 0.189 | 10% | 0.095 | C | C | . | . | H | α-helix | trans | -62.7 | -43.5 | -176.6 | -175.6 | 173.1 | -175.9 | -161.8 | -6.6 | 113.2 | T269 N270 Y271 F357 P548 M559 | R267-T269 VanDerWaalsContact C-N 3.26Å; R267-T269 PolarHBondContact O-N 2.77Å; R267-N270 PolarHBondContact O-N 3.17Å; R267-Y271 HydrophobicContact CG-CD2 3.96Å; R267-Y271 HydrophobicContact CG-CE2 3.59Å; R267-Y271 PolarHBondContact NH2-OH 2.91Å; R267-Y271 VanDerWaalsContact O-CD2 3.3Å; R267-Y271 WeakPolarHBondContact O-CD2 3.28Å; R267-Y271 PolarHBondContact O-N 2.84Å; R267-F357 HydrophobicContact CB-CB 4.17Å; R267-F357 HydrophobicContact CG-CB 4.13Å; R267-F357 HydrophobicContact CG-CD1 4.26Å; R267-F357 HydrophobicContact CG-CG 4.2Å; R267-P548 HydrophobicContact CB-CB 4.49Å; R267-P548 HydrophobicContact CB-CG 4.08Å; R267-M559 VanDerWaalsContact CA-SD 3.55Å; R267-M559 HydrophobicContact CB-SD 3.87Å; R267-M559 HydrophobicContact CG-SD 3.94Å |
| 268 | S | 92 | Very high | 93.7 | Very high | 5 Ų | 5 | 18.5 Ų | 18.5 | 4% | 0.035 | 9% | 0.093 | C | C | . | . | H | α-helix | trans | -56.7 | -41.1 | 174.8 | 53.6 | 0 | 0 | 0 | 0 | 112 | V266 N270 Y271 I272 L353 | V266-S268 VanDerWaalsContact CG1-OG 3.29Å; V266-S268 WeakPolarHBondContact CG1-OG 3.33Å; V266-S268 PolarHBondContact O-N 3.28Å; S268-N270 PolarHBondContact O-N 2.71Å; S268-Y271 PolarHBondContact O-N 3.2Å; S268-I272 WeakPolarHBondContact O-CB 3.42Å; S268-I272 WeakPolarHBondContact O-CD1 3.47Å; S268-I272 WeakPolarHBondContact O-CG1 3.26Å; S268-I272 PolarHBondContact O-N 3.11Å; S268-L353 WeakPolarHBondContact CB-O 3.34Å |
| 269 | T | 94.8 | Very high | 93.8 | Very high | 0 Ų | 0 | 18.2 Ų | 18.2 | 0% | 0 | 9% | 0.091 | C | C | . | . | H | α-helix | trans | -60.3 | -42.9 | 178.9 | -56.2 | 0 | 0 | 0 | 0 | 112.8 | T241 L258 L261 V266 R267 I272 L273 | T241-T269 VanDerWaalsContact OG1-CG2 3.25Å; T241-T269 WeakPolarHBondContact OG1-CG2 3.19Å; L258-T269 HydrophobicContact CB-CG2 3.76Å; L258-T269 HydrophobicContact CD1-CG2 4.43Å; L258-T269 PolarHBondContact O-OG1 3.06Å; L261-T269 HydrophobicContact CB-CG2 4.15Å; V266-T269 WeakPolarHBondContact O-CB 3.41Å; V266-T269 PolarHBondContact O-N 3.46Å; R267-T269 VanDerWaalsContact C-N 3.26Å; R267-T269 PolarHBondContact O-N 2.77Å; T269-I272 PolarHBondContact O-N 2.83Å; T269-L273 HydrophobicContact CG2-CD1 4.39Å; T269-L273 WeakPolarHBondContact O-CG 3.39Å; T269-L273 PolarHBondContact O-N 3.24Å |
| 270 | N | 90.7 | Very high | 94 | Very high | 2 Ų | 2 | 17.3 Ų | 17.3 | 1% | 0.011 | 8% | 0.082 | C | C | . | . | H | α-helix | trans | -67.5 | -35.1 | 177.3 | -76.8 | -13.9 | 0 | 0 | 0 | 112.4 | G262 V266 R267 S268 Q274 N556 M559 | G262-N270 PolarHBondContact N-OD1 3.14Å; G262-N270 PolarHBondContact O-ND2 3.41Å; G262-N270 VanDerWaalsContact O-ND2 3.14Å; V266-N270 PolarHBondContact O-N 2.9Å; R267-N270 PolarHBondContact O-N 3.17Å; S268-N270 PolarHBondContact O-N 2.71Å; N270-Q274 PolarHBondContact O-N 3.44Å; N270-N556 HydrophobicContact CB-CB 4.01Å; N270-N556 WeakPolarHBondContact CB-O 3.45Å; N270-N556 PolarHBondContact ND2-O 2.76Å; N270-N556 PolarHBondContact OD1-ND2 2.76Å; N270-M559 HydrophobicContact CB-SD 4.06Å; N270-M559 WeakPolarHBondContact ND2-CE 3.48Å; N270-M559 PolarHBondContact ND2-SD 2.82Å |
| 271 | Y | 91.6 | Very high | 94.2 | Very high | 49 Ų | 49 | 16.6 Ų | 16.6 | 19% | 0.192 | 8% | 0.078 | C | C | . | . | H | α-helix | trans | -71.1 | -40.6 | 171.8 | -73.2 | -63.9 | 0 | 0 | 0 | 112.8 | R267 S268 L273 Q274 E275 F357 T557 | R267-Y271 HydrophobicContact CG-CD2 3.96Å; R267-Y271 HydrophobicContact CG-CE2 3.59Å; R267-Y271 PolarHBondContact NH2-OH 2.91Å; R267-Y271 VanDerWaalsContact O-CD2 3.3Å; R267-Y271 WeakPolarHBondContact O-CD2 3.28Å; R267-Y271 PolarHBondContact O-N 2.84Å; S268-Y271 PolarHBondContact O-N 3.2Å; Y271-L273 VanDerWaalsContact C-N 3.26Å; Y271-L273 PolarHBondContact O-N 3.07Å; Y271-Q274 WeakPolarHBondContact O-CA 3.32Å; Y271-Q274 VanDerWaalsContact O-CB 3.26Å; Y271-Q274 WeakPolarHBondContact O-CB 3.24Å; Y271-Q274 PolarHBondContact O-N 3.34Å; Y271-E275 PolarHBondContact O-N 2.82Å; Y271-E275 VanDerWaalsContact O-N 3.13Å; Y271-F357 AromaticContact CD2-CD2 3.57Å; Y271-F357 HydrophobicContact CD2-CD2 3.57Å; Y271-F357 AromaticContact CD2-CE2 3.55Å; Y271-F357 HydrophobicContact CD2-CE2 3.55Å; Y271-F357 HydrophobicContact CD2-CG 4.13Å; Y271-F357 HydrophobicContact CD2-CZ 4.09Å; Y271-F357 HydrophobicContact CE2-CD1 4.18Å; Y271-F357 AromaticContact CE2-CD2 3.9Å; Y271-F357 HydrophobicContact CE2-CD2 3.9Å; Y271-F357 AromaticContact CE2-CE1 3.96Å; Y271-F357 HydrophobicContact CE2-CE1 3.96Å; Y271-F357 AromaticContact CE2-CE2 3.67Å; Y271-F357 HydrophobicContact CE2-CE2 3.67Å; Y271-F357 HydrophobicContact CE2-CG 4.14Å; Y271-F357 AromaticContact CE2-CZ 3.7Å; Y271-F357 HydrophobicContact CE2-CZ 3.7Å; Y271-F357 HydrophobicContact CG-CE2 4.28Å; Y271-T557 HydrophobicContact CD1-CG2 4.18Å; Y271-T557 HydrophobicContact CE1-CG2 4.19Å; Y271-T557 PolarHBondContact OH-O 3.23Å |
| 272 | I | 95.1 | Very high | 94.3 | Very high | 0 Ų | 0 | 16.2 Ų | 16.2 | 0% | 0 | 8% | 0.076 | C | C | . | . | H | α-helix | trans | -58.6 | -41.5 | 175.2 | -70.3 | 161.4 | 0 | 0 | 0 | 110.5 | V215 L258 S268 T269 Q274 E275 A276 W346 V350 L353 Q354 | V215-I272 HydrophobicContact CG2-CG2 4.07Å; L258-I272 HydrophobicContact CD1-CB 4.42Å; L258-I272 HydrophobicContact CD1-CD1 4.43Å; L258-I272 HydrophobicContact CD1-CG2 3.72Å; L258-I272 HydrophobicContact CD2-CD1 3.68Å; S268-I272 WeakPolarHBondContact O-CB 3.42Å; S268-I272 WeakPolarHBondContact O-CD1 3.47Å; S268-I272 WeakPolarHBondContact O-CG1 3.26Å; S268-I272 PolarHBondContact O-N 3.11Å; T269-I272 PolarHBondContact O-N 2.83Å; I272-Q274 VanDerWaalsContact C-N 3.3Å; I272-Q274 PolarHBondContact O-N 3.45Å; I272-E275 PolarHBondContact O-N 2.86Å; I272-A276 PolarHBondContact O-N 2.82Å; I272-W346 HydrophobicContact CB-CH2 4.5Å; I272-W346 HydrophobicContact CG2-CH2 3.68Å; I272-W346 HydrophobicContact CG2-CZ2 3.64Å; I272-W346 WeakPolarHBondContact O-CH2 3.12Å; I272-V350 HydrophobicContact CD1-CB 4.33Å; I272-V350 HydrophobicContact CD1-CG1 3.87Å; I272-V350 HydrophobicContact CD1-CG2 4.31Å; I272-V350 HydrophobicContact CG1-CG2 4.26Å; I272-V350 HydrophobicContact CG2-CG2 4Å; I272-L353 HydrophobicContact CB-CD1 4.5Å; I272-L353 HydrophobicContact CD1-CB 4.48Å; I272-L353 HydrophobicContact CG1-CB 4.11Å; I272-L353 HydrophobicContact CG1-CD1 3.6Å; I272-Q354 HydrophobicContact CD1-CG 4.23Å |
| 273 | L | 95.3 | Very high | 94.6 | Very high | 2 Ų | 2 | 16.6 Ų | 16.6 | 1% | 0.01 | 8% | 0.08 | C | C | . | . | H | α-helix | trans | -62 | -36.2 | 174 | -76.6 | 167.2 | 0 | 0 | 0 | 112.6 | V215 T241 L261 T269 Y271 E275 A276 L279 F297 C298 | V215-L273 HydrophobicContact CB-CD2 4.31Å; V215-L273 HydrophobicContact CG1-CD2 3.7Å; T241-L273 HydrophobicContact CG2-CD1 4.37Å; T241-L273 HydrophobicContact CG2-CD2 4.12Å; L261-L273 HydrophobicContact CB-CD1 3.85Å; L261-L273 HydrophobicContact CD1-CD1 3.87Å; L261-L273 HydrophobicContact CG-CD1 4.48Å; T269-L273 HydrophobicContact CG2-CD1 4.39Å; T269-L273 WeakPolarHBondContact O-CG 3.39Å; T269-L273 PolarHBondContact O-N 3.24Å; Y271-L273 VanDerWaalsContact C-N 3.26Å; Y271-L273 PolarHBondContact O-N 3.07Å; L273-E275 VanDerWaalsContact C-N 3.31Å; L273-E275 PolarHBondContact O-N 2.96Å; L273-A276 WeakPolarHBondContact O-CB 3.29Å; L273-A276 PolarHBondContact O-N 2.57Å; L273-L279 HydrophobicContact CD2-CD1 3.6Å; L273-F297 HydrophobicContact CD1-CE2 4.16Å; L273-F297 HydrophobicContact CD1-CZ 4.39Å; L273-C298 PolarHBondContact O-SG 3.05Å |
| 274 | Q | 92.4 | Very high | 94.8 | Very high | 47 Ų | 47 | 15.7 Ų | 15.7 | 22% | 0.22 | 8% | 0.076 | C | C | . | . | H | α-helix | trans | -65.1 | -35.2 | 176.9 | -170.2 | 65.6 | 11.7 | 0 | 0 | 112.7 | N270 Y271 I272 Q296 P299 T557 | N270-Q274 PolarHBondContact O-N 3.44Å; Y271-Q274 WeakPolarHBondContact O-CA 3.32Å; Y271-Q274 VanDerWaalsContact O-CB 3.26Å; Y271-Q274 WeakPolarHBondContact O-CB 3.24Å; Y271-Q274 PolarHBondContact O-N 3.34Å; I272-Q274 VanDerWaalsContact C-N 3.3Å; I272-Q274 PolarHBondContact O-N 3.45Å; Q274-Q296 PolarHBondContact OE1-O 3.2Å; Q274-P299 VanDerWaalsContact NE2-CD 3.31Å; Q274-P299 VanDerWaalsContact NE2-CG 3.29Å; Q274-T557 HydrophobicContact CB-CG2 4.05Å; Q274-T557 HydrophobicContact CG-CG2 3.89Å |
| 275 | E | 95 | Very high | 94.9 | Very high | 82 Ų | 82 | 18.3 Ų | 18.3 | 38% | 0.383 | 9% | 0.086 | S | C | . | . | H | α-helix | trans | -80.3 | -14.8 | 179.5 | -64.8 | -54.7 | 139 | 0 | 0 | 113.6 | R213 Y271 I272 L273 W346 L353 | R213-E275 PolarHBondContact NE-O 3.09Å; R213-E275 PolarHBondContact NH2-O 3.46Å; Y271-E275 PolarHBondContact O-N 2.82Å; Y271-E275 VanDerWaalsContact O-N 3.13Å; I272-E275 PolarHBondContact O-N 2.86Å; L273-E275 VanDerWaalsContact C-N 3.31Å; L273-E275 PolarHBondContact O-N 2.96Å; E275-W346 HydrophobicContact CB-CH2 3.97Å; E275-W346 HydrophobicContact CB-CZ3 3.95Å; E275-L353 HydrophobicContact CG-CD1 4.44Å |
| 276 | A | 97.3 | Very high | 95.1 | Very high | 0 Ų | 0 | 18.5 Ų | 18.5 | 0% | 0 | 9% | 0.086 | C | C | . | . | trans | -60.7 | 139.1 | -174.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | R213 V215 I272 L273 A301 | R213-A276 VanDerWaalsContact O-CA 3.3Å; R213-A276 WeakPolarHBondContact O-CA 3.36Å; V215-A276 HydrophobicContact CB-CB 4.35Å; V215-A276 HydrophobicContact CG2-CB 3.75Å; I272-A276 PolarHBondContact O-N 2.82Å; L273-A276 WeakPolarHBondContact O-CB 3.29Å; L273-A276 PolarHBondContact O-N 2.57Å; A276-A301 HydrophobicContact CB-CB 4.48Å; A276-A301 WeakPolarHBondContact O-CB 3.42Å | ||
| 277 | D | 97.9 | Very high | 95.4 | Very high | 37 Ų | 37 | 19 Ų | 19 | 20% | 0.198 | 9% | 0.088 | C | C | . | . | S | Bend | trans | -99.2 | -14.7 | 171.8 | 69.9 | -7.5 | 0 | 0 | 0 | 112.9 | K212 R213 A301 K302 | K212-D277 PolarHBondContact N-OD2 3.35Å; R213-D277 VanDerWaalsContact CA-OD1 3.3Å; R213-D277 WeakPolarHBondContact CA-OD1 3.3Å; R213-D277 HydrophobicContact CB-CB 4.48Å; R213-D277 VanDerWaalsContact N-CG 3.28Å; R213-D277 PolarHBondContact N-OD1 3.04Å; R213-D277 PolarHBondContact N-OD2 3.16Å; R213-D277 PolarHBondContact O-N 2.83Å; R213-D277 VanDerWaalsContact O-N 3.08Å; R213-D277 VanDerWaalsContact O-OD1 3.1Å; D277-A301 WeakPolarHBondContact O-CA 3.48Å; D277-K302 PolarHBondContact O-N 2.99Å |
| 278 | L | 98.6 | Very high | 95.4 | Very high | 4 Ų | 4 | 20.6 Ų | 20.6 | 2% | 0.021 | 10% | 0.1 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.7 | 128.9 | 174.4 | 179.5 | 67.3 | 0 | 0 | 0 | 109.9 | M207 I208 A211 P214 V215 I280 K302 I304 | M207-L278 HydrophobicContact CB-CD1 4.34Å; M207-L278 HydrophobicContact CB-CD2 4.39Å; M207-L278 HydrophobicContact CE-CD1 3.63Å; I208-L278 HydrophobicContact CB-CD2 4.4Å; I208-L278 HydrophobicContact CG1-CD2 3.91Å; A211-L278 HydrophobicContact CB-CB 3.74Å; A211-L278 HydrophobicContact CB-CD2 3.76Å; A211-L278 HydrophobicContact CB-CG 4.4Å; P214-L278 CarbonylContact C-O 3.6Å; P214-L278 VanDerWaalsContact CA-O 3.29Å; P214-L278 WeakPolarHBondContact CA-O 3.34Å; P214-L278 HydrophobicContact CB-CB 4.16Å; P214-L278 HydrophobicContact CB-CD2 4.25Å; V215-L278 PolarHBondContact N-O 2.91Å; L278-I280 HydrophobicContact CD2-CD1 4.22Å; L278-I280 HydrophobicContact CD2-CG1 3.97Å; L278-I280 HydrophobicContact CG-CG1 4.04Å; L278-K302 CarbonylContact C-O 3.5Å; L278-K302 WeakPolarHBondContact CA-O 3.33Å; L278-K302 HydrophobicContact CD1-CB 4Å; L278-I304 HydrophobicContact CD1-CD1 4Å; L278-I304 HydrophobicContact CD1-CG1 4.09Å; L278-I304 HydrophobicContact CD2-CD1 4.17Å |
| 279 | L | 98.3 | Very high | 95.3 | Very high | 0 Ų | 0 | 26 Ų | 26 | 0% | 0 | 12% | 0.12 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.4 | 119.1 | 171.4 | -169.6 | 69.2 | 0 | 0 | 0 | 109.3 | V215 Y217 L273 V281 F286 F297 A301 K302 I303 I304 | V215-L279 HydrophobicContact CB-CD1 4.21Å; V215-L279 HydrophobicContact CG1-CD1 4.33Å; Y217-L279 HydrophobicContact CD1-CD2 4.29Å; L273-L279 HydrophobicContact CD2-CD1 3.6Å; L279-V281 HydrophobicContact CD2-CG2 3.76Å; L279-V281 HydrophobicContact CG-CG2 3.72Å; L279-F286 HydrophobicContact CD2-CE1 4.06Å; L279-F297 HydrophobicContact CD2-CE1 3.83Å; L279-F297 HydrophobicContact CD2-CZ 4.4Å; L279-A301 HydrophobicContact CB-CB 4.25Å; L279-K302 PolarHBondContact N-O 3.12Å; L279-I303 HydrophobicContact CB-CG1 4.4Å; L279-I303 WeakPolarHBondContact O-CA 3.16Å; L279-I304 PolarHBondContact O-N 3.37Å |
| 280 | I | 98.7 | Very high | 95.2 | Very high | 0 Ų | 0 | 26.4 Ų | 26.4 | 0% | 0 | 12% | 0.123 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.1 | 99.8 | 179.5 | -52.5 | 159.4 | 0 | 0 | 0 | 107.6 | I208 P214 V215 L216 Y217 L238 L278 L282 I304 | I208-I280 HydrophobicContact CD1-CD1 4.01Å; I208-I280 HydrophobicContact CD1-CG1 4.48Å; I208-I280 HydrophobicContact CG1-CD1 3.76Å; I208-I280 HydrophobicContact CG1-CG1 4.2Å; P214-I280 HydrophobicContact CB-CD1 4.37Å; V215-I280 PolarHBondContact O-N 3.01Å; L216-I280 HydrophobicContact CD1-CB 3.93Å; L216-I280 HydrophobicContact CD1-CG2 3.79Å; Y217-I280 PolarHBondContact N-O 3.28Å; L238-I280 HydrophobicContact CD1-CD1 3.77Å; L238-I280 HydrophobicContact CD2-CD1 4.34Å; L278-I280 HydrophobicContact CD2-CD1 4.22Å; L278-I280 HydrophobicContact CD2-CG1 3.97Å; L278-I280 HydrophobicContact CG-CG1 4.04Å; I280-L282 HydrophobicContact CG2-CD2 4.06Å; I280-L282 HydrophobicContact CG2-CG 4.29Å; I280-I304 HydrophobicContact CG1-CD1 4.38Å |
| 281 | V | 98.6 | Very high | 95.3 | Very high | 0 Ų | 0 | 26.4 Ų | 26.4 | 0% | 0 | 12% | 0.123 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.3 | 113.7 | -173.6 | -172 | 0 | 0 | 0 | 0 | 109.8 | Y217 L279 A284 F286 I303 I304 H305 V306 | Y217-V281 HydrophobicContact CD1-CB 4.22Å; Y217-V281 HydrophobicContact CD1-CG1 3.71Å; Y217-V281 HydrophobicContact CD1-CG2 3.68Å; Y217-V281 HydrophobicContact CE1-CG1 4.02Å; Y217-V281 HydrophobicContact CG-CG1 4.4Å; Y217-V281 HydrophobicContact CG-CG2 4.43Å; Y217-V281 WeakPolarHBondContact O-CA 3.48Å; L279-V281 HydrophobicContact CD2-CG2 3.76Å; L279-V281 HydrophobicContact CG-CG2 3.72Å; V281-A284 HydrophobicContact CG1-CB 3.73Å; V281-F286 HydrophobicContact CB-CZ 4.17Å; V281-F286 HydrophobicContact CG1-CE2 4.23Å; V281-F286 HydrophobicContact CG1-CZ 4.1Å; V281-F286 HydrophobicContact CG2-CE1 3.92Å; V281-F286 HydrophobicContact CG2-CE2 4.34Å; V281-F286 HydrophobicContact CG2-CZ 3.51Å; V281-I303 HydrophobicContact CG2-CG2 4.32Å; V281-I304 PolarHBondContact N-O 3.28Å; V281-H305 HydrophobicContact CB-CB 4.5Å; V281-V306 PolarHBondContact O-N 3.21Å |
| 282 | L | 98.6 | Very high | 95.2 | Very high | 0 Ų | 0 | 25 Ų | 25 | 0% | 0 | 12% | 0.123 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115 | 116.6 | -179.7 | -55.1 | -174.4 | 0 | 0 | 0 | 109.8 | L216 Y217 L218 G219 V222 L232 I280 A284 V306 V327 L331 | L216-L282 HydrophobicContact CD1-CD1 3.68Å; L216-L282 HydrophobicContact CD1-CG 3.97Å; Y217-L282 PolarHBondContact O-N 3.29Å; L218-L282 HydrophobicContact CD2-CB 4.16Å; L218-L282 HydrophobicContact CD2-CD1 4.16Å; L218-L282 HydrophobicContact CD2-CG 4.49Å; G219-L282 PolarHBondContact N-O 3.47Å; V222-L282 HydrophobicContact CG1-CB 3.62Å; V222-L282 WeakPolarHBondContact CG1-O 3.39Å; L232-L282 HydrophobicContact CD2-CD1 4.44Å; I280-L282 HydrophobicContact CG2-CD2 4.06Å; I280-L282 HydrophobicContact CG2-CG 4.29Å; L282-A284 VanDerWaalsContact C-N 3.27Å; L282-A284 PolarHBondContact O-N 2.69Å; L282-V306 HydrophobicContact CD2-CB 3.79Å; L282-V306 HydrophobicContact CD2-CG2 3.59Å; L282-V327 HydrophobicContact CB-CG1 4.1Å; L282-V327 HydrophobicContact CB-CG2 4.45Å; L282-V327 HydrophobicContact CD1-CG1 4.2Å; L282-L331 HydrophobicContact CD1-CD1 4.36Å; L282-L331 HydrophobicContact CD1-CD2 3.95Å |
| 283 | G | 97.7 | Very high | 95.1 | Very high | 8 Ų | 8 | 29 Ų | 29 | 8% | 0.082 | 14% | 0.141 | C | C | . | . | S | Bend | trans | 60 | 31.4 | 173 | 0 | 0 | 0 | 0 | 0 | 114.8 | G219 G220 G221 V306 | G219-G283 CarbonylContact C-O 3.58Å; G219-G283 WeakPolarHBondContact CA-O 3.47Å; G220-G283 PolarHBondContact N-O 2.63Å; G221-G283 PolarHBondContact N-O 3.05Å; G283-V306 PolarHBondContact N-O 3.33Å |
| 284 | A | 97.4 | Very high | 94.9 | Very high | 4 Ų | 4 | 30.9 Ų | 30.9 | 3% | 0.033 | 15% | 0.152 | C | C | . | . | trans | -122.1 | 148.7 | 179.2 | 0 | 0 | 0 | 0 | 0 | 111.8 | Y217 T243 V281 L282 H305 | Y217-A284 HydrophobicContact CE1-CB 3.99Å; Y217-A284 HydrophobicContact CE2-CB 4.04Å; T243-A284 HydrophobicContact CG2-CB 4.4Å; V281-A284 HydrophobicContact CG1-CB 3.73Å; L282-A284 VanDerWaalsContact C-N 3.27Å; L282-A284 PolarHBondContact O-N 2.69Å; A284-H305 PolarHBondContact O-NE2 3.3Å | ||
| 285 | R | 95.1 | Very high | 94.8 | Very high | 67 Ų | 67 | 35.3 Ų | 35.3 | 25% | 0.253 | 17% | 0.173 | S | C | . | . | trans | -106.4 | 15.6 | -170.7 | 62.4 | -180 | -176 | 75.8 | 6.3 | 115.8 | D287 E312 | R285-D287 VanDerWaalsContact C-N 3.25Å; R285-D287 HydrophobicContact CG-CB 4.42Å; R285-D287 IonicContact CZ-OD2 3.74Å; R285-D287 IonicContact NH1-OD2 2.74Å; R285-D287 PolarHBondContact NH1-OD2 3.16Å; R285-D287 IonicContact NH2-OD2 3.58Å; R285-D287 PolarHBondContact NH2-OD2 2.86Å; R285-D287 PolarHBondContact O-N 3.46Å; R285-E312 WeakPolarHBondContact CB-OE2 3.45Å | ||
| 286 | F | 94.8 | Very high | 94.6 | Very high | 5 Ų | 5 | 35.1 Ų | 35.1 | 2% | 0.022 | 17% | 0.172 | C | C | . | . | trans | 46.4 | 47.2 | -176.2 | -68.4 | -73.1 | 0 | 0 | 0 | 113.5 | Y217 L279 V281 I291 F297 I303 H305 I316 K317 | Y217-F286 HydrophobicContact CD1-CE1 4.39Å; Y217-F286 HydrophobicContact CE1-CD1 4.04Å; Y217-F286 HydrophobicContact CE1-CE1 4.14Å; L279-F286 HydrophobicContact CD2-CE1 4.06Å; V281-F286 HydrophobicContact CB-CZ 4.17Å; V281-F286 HydrophobicContact CG1-CE2 4.23Å; V281-F286 HydrophobicContact CG1-CZ 4.1Å; V281-F286 HydrophobicContact CG2-CE1 3.92Å; V281-F286 HydrophobicContact CG2-CE2 4.34Å; V281-F286 HydrophobicContact CG2-CZ 3.51Å; F286-I291 HydrophobicContact CB-CD1 4.36Å; F286-I291 HydrophobicContact CB-CG2 4.31Å; F286-I291 HydrophobicContact CD1-CG2 3.94Å; F286-F297 HydrophobicContact CD1-CE1 4.37Å; F286-F297 HydrophobicContact CE1-CE1 4.23Å; F286-I303 HydrophobicContact CZ-CG2 4.03Å; F286-H305 AromaticContact CD2-CE1 3.74Å; F286-H305 AromaticContact CE2-CE1 3.58Å; F286-H305 AromaticContact CE2-CG 3.98Å; F286-H305 AromaticContact CE2-ND1 3.5Å; F286-H305 WeakPolarHBondContact CE2-ND1 3.41Å; F286-I316 HydrophobicContact CB-CB 4.05Å; F286-I316 HydrophobicContact CB-CG1 4.48Å; F286-I316 HydrophobicContact CB-CG2 4.2Å; F286-K317 HydrophobicContact CE2-CB 4.37Å; F286-K317 HydrophobicContact CZ-CB 4.4Å | ||
| 287 | D | 93.4 | Very high | 94.5 | Very high | 36 Ų | 36 | 35.3 Ų | 35.3 | 19% | 0.193 | 17% | 0.173 | C | C | . | . | trans | -58.8 | 145.2 | 179.1 | -177.9 | -99.8 | 0 | 0 | 0 | 112 | R285 R289 A290 I291 | R285-D287 VanDerWaalsContact C-N 3.25Å; R285-D287 HydrophobicContact CG-CB 4.42Å; R285-D287 IonicContact CZ-OD2 3.74Å; R285-D287 IonicContact NH1-OD2 2.74Å; R285-D287 PolarHBondContact NH1-OD2 3.16Å; R285-D287 IonicContact NH2-OD2 3.58Å; R285-D287 PolarHBondContact NH2-OD2 2.86Å; R285-D287 PolarHBondContact O-N 3.46Å; D287-R289 PolarHBondContact O-N 3.42Å; D287-R289 WeakPolarHBondContact OD1-CB 3.19Å; D287-R289 VanDerWaalsContact OD1-CG 3.27Å; D287-R289 WeakPolarHBondContact OD1-CG 3.46Å; D287-R289 PolarHBondContact OD1-N 3.06Å; D287-A290 WeakPolarHBondContact O-CA 3.43Å; D287-A290 WeakPolarHBondContact O-CB 3.4Å; D287-A290 PolarHBondContact O-N 3.26Å; D287-I291 PolarHBondContact O-N 3.29Å | ||
| 288 | D | 89.5 | Confident | 94.2 | Very high | 85 Ų | 85 | 33.8 Ų | 33.8 | 46% | 0.455 | 17% | 0.165 | S | C | . | . | H | α-helix | trans | -61.6 | -31.9 | -176.5 | 72.2 | -34.7 | 0 | 0 | 0 | 112.3 | A290 G292 | D288-A290 PolarHBondContact O-N 3.05Å; D288-G292 PolarHBondContact O-N 2.92Å |
| 289 | R | 91.3 | Very high | 93.8 | Very high | 119 Ų | 119 | 36.8 Ų | 36.8 | 45% | 0.449 | 19% | 0.185 | S | C | . | . | H | α-helix | trans | -67.7 | -25.7 | 174.1 | -53.1 | -65 | 113.5 | 173.4 | 5.8 | 112.3 | G262 M263 D287 | G262-R289 CarbonylContact C-O 3.05Å; G262-R289 VanDerWaalsContact CA-O 3.28Å; G262-R289 WeakPolarHBondContact CA-O 3.36Å; M263-R289 VanDerWaalsContact CE-NH1 3.3Å; M263-R289 PolarHBondContact N-O 2.84Å; D287-R289 PolarHBondContact O-N 3.42Å; D287-R289 WeakPolarHBondContact OD1-CB 3.19Å; D287-R289 VanDerWaalsContact OD1-CG 3.27Å; D287-R289 WeakPolarHBondContact OD1-CG 3.46Å; D287-R289 PolarHBondContact OD1-N 3.06Å |
| 290 | A | 91.9 | Very high | 93.4 | Very high | 8 Ų | 8 | 42.5 Ų | 42.5 | 7% | 0.066 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -87.5 | -39 | 179.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | L261 G262 D287 D288 N556 | L261-A290 HydrophobicContact CD1-CB 4.14Å; L261-A290 HydrophobicContact CG-CB 4.35Å; G262-A290 WeakPolarHBondContact CA-O 3.32Å; D287-A290 WeakPolarHBondContact O-CA 3.43Å; D287-A290 WeakPolarHBondContact O-CB 3.4Å; D287-A290 PolarHBondContact O-N 3.26Å; D288-A290 PolarHBondContact O-N 3.05Å; A290-N556 PolarHBondContact O-ND2 3.43Å |
| 291 | I | 92.3 | Very high | 93.4 | Very high | 1 Ų | 1 | 43 Ų | 43 | 1% | 0.005 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -102.6 | -17.5 | -170.2 | 71.7 | 170.9 | 0 | 0 | 0 | 114.8 | F286 D287 K293 T294 F297 I316 N556 | F286-I291 HydrophobicContact CB-CD1 4.36Å; F286-I291 HydrophobicContact CB-CG2 4.31Å; F286-I291 HydrophobicContact CD1-CG2 3.94Å; D287-I291 PolarHBondContact O-N 3.29Å; I291-K293 PolarHBondContact O-N 2.88Å; I291-T294 HydrophobicContact CD1-CG2 4.27Å; I291-F297 HydrophobicContact CB-CB 4.22Å; I291-F297 HydrophobicContact CB-CD1 3.99Å; I291-F297 HydrophobicContact CB-CD2 3.81Å; I291-F297 HydrophobicContact CB-CE1 4.28Å; I291-F297 HydrophobicContact CB-CE2 4.12Å; I291-F297 HydrophobicContact CB-CG 3.74Å; I291-F297 HydrophobicContact CB-CZ 4.35Å; I291-F297 HydrophobicContact CG2-CD1 3.92Å; I291-F297 HydrophobicContact CG2-CD2 4.23Å; I291-F297 HydrophobicContact CG2-CE1 3.76Å; I291-F297 HydrophobicContact CG2-CE2 4.08Å; I291-F297 HydrophobicContact CG2-CG 4.16Å; I291-F297 HydrophobicContact CG2-CZ 3.85Å; I291-F297 WeakPolarHBondContact O-CD2 3.43Å; I291-I316 HydrophobicContact CD1-CG2 3.67Å; I291-N556 VanDerWaalsContact C-OD1 3.29Å; I291-N556 PolarHBondContact O-OD1 2.89Å |
| 292 | G | 90.8 | Very high | 93.3 | Very high | 19 Ų | 19 | 48.4 Ų | 48.4 | 20% | 0.196 | 24% | 0.243 | C | C | . | . | B | Isolated β-bridge | trans | 61.2 | -133.4 | -172.5 | 0 | 0 | 0 | 0 | 0 | 111 | D288 T294 N556 | D288-G292 PolarHBondContact O-N 2.92Å; G292-T294 PolarHBondContact O-N 3.09Å; G292-N556 PolarHBondContact N-OD1 3.18Å |
| 293 | K | 91.4 | Very high | 93.3 | Very high | 85 Ų | 85 | 48.9 Ų | 48.9 | 37% | 0.37 | 25% | 0.245 | S | C | . | . | S | Bend | trans | -68.6 | 110.6 | 176.7 | -169.6 | 169 | -175.2 | 176.3 | 0 | 112.5 | I291 E295 Q296 F297 A554 A555 | I291-K293 PolarHBondContact O-N 2.88Å; K293-E295 WeakPolarHBondContact CG-OE2 3.45Å; K293-E295 PolarHBondContact O-N 3.37Å; K293-Q296 HydrophobicContact CD-CG 4.21Å; K293-Q296 HydrophobicContact CG-CG 4.44Å; K293-Q296 PolarHBondContact O-N 3.01Å; K293-F297 PolarHBondContact O-N 3.4Å; K293-A554 PolarHBondContact N-O 3.14Å; K293-A555 HydrophobicContact CB-CB 4.39Å |
| 294 | T | 91.5 | Very high | 93.4 | Very high | 41 Ų | 41 | 48.5 Ų | 48.5 | 25% | 0.252 | 24% | 0.242 | S | C | . | . | G | 310 helix | trans | -50.7 | -47.6 | -173.9 | -56.1 | 0 | 0 | 0 | 0 | 113.5 | I291 G292 Q296 F297 I316 K317 | I291-T294 HydrophobicContact CD1-CG2 4.27Å; G292-T294 PolarHBondContact O-N 3.09Å; T294-Q296 PolarHBondContact O-N 3.36Å; T294-F297 PolarHBondContact O-N 3.28Å; T294-I316 HydrophobicContact CG2-CG2 3.87Å; T294-K317 HydrophobicContact CG2-CG 3.98Å; T294-K317 WeakPolarHBondContact O-CE 3.4Å; T294-K317 PolarHBondContact O-NZ 3.36Å |
| 295 | E | 90.9 | Very high | 93.4 | Very high | 140 Ų | 140 | 48.3 Ų | 48.3 | 65% | 0.654 | 24% | 0.24 | S | C | * | . | G | 310 helix | trans | -67.1 | -23 | -174.4 | -56.2 | 71.8 | -147.8 | 0 | 0 | 112.7 | K293 | K293-E295 WeakPolarHBondContact CG-OE2 3.45Å; K293-E295 PolarHBondContact O-N 3.37Å |
| 296 | Q | 91.5 | Very high | 93.6 | Very high | 78 Ų | 78 | 45.2 Ų | 45.2 | 36% | 0.364 | 23% | 0.228 | S | C | . | . | G | 310 helix | trans | -103.9 | -5.4 | -175.6 | -61.6 | -170.8 | 7.3 | 0 | 0 | 113.5 | Q274 K293 T294 C298 P299 A555 | Q274-Q296 PolarHBondContact OE1-O 3.2Å; K293-Q296 HydrophobicContact CD-CG 4.21Å; K293-Q296 HydrophobicContact CG-CG 4.44Å; K293-Q296 PolarHBondContact O-N 3.01Å; T294-Q296 PolarHBondContact O-N 3.36Å; Q296-C298 PolarHBondContact O-N 3.26Å; Q296-P299 WeakPolarHBondContact O-CD 3.41Å; Q296-A555 HydrophobicContact CB-CB 3.84Å |
| 297 | F | 93.3 | Very high | 93.7 | Very high | 4 Ų | 4 | 45.6 Ų | 45.6 | 2% | 0.018 | 23% | 0.231 | C | C | . | . | S | Bend | trans | -76.2 | 120.6 | 177.5 | 179.5 | -102.2 | 0 | 0 | 0 | 111.3 | L261 L273 L279 F286 I291 K293 T294 K317 | L261-F297 HydrophobicContact CD1-CE2 4.27Å; L261-F297 HydrophobicContact CD1-CZ 4.17Å; L273-F297 HydrophobicContact CD1-CE2 4.16Å; L273-F297 HydrophobicContact CD1-CZ 4.39Å; L279-F297 HydrophobicContact CD2-CE1 3.83Å; L279-F297 HydrophobicContact CD2-CZ 4.4Å; F286-F297 HydrophobicContact CD1-CE1 4.37Å; F286-F297 HydrophobicContact CE1-CE1 4.23Å; I291-F297 HydrophobicContact CB-CB 4.22Å; I291-F297 HydrophobicContact CB-CD1 3.99Å; I291-F297 HydrophobicContact CB-CD2 3.81Å; I291-F297 HydrophobicContact CB-CE1 4.28Å; I291-F297 HydrophobicContact CB-CE2 4.12Å; I291-F297 HydrophobicContact CB-CG 3.74Å; I291-F297 HydrophobicContact CB-CZ 4.35Å; I291-F297 HydrophobicContact CG2-CD1 3.92Å; I291-F297 HydrophobicContact CG2-CD2 4.23Å; I291-F297 HydrophobicContact CG2-CE1 3.76Å; I291-F297 HydrophobicContact CG2-CE2 4.08Å; I291-F297 HydrophobicContact CG2-CG 4.16Å; I291-F297 HydrophobicContact CG2-CZ 3.85Å; I291-F297 WeakPolarHBondContact O-CD2 3.43Å; K293-F297 PolarHBondContact O-N 3.4Å; T294-F297 PolarHBondContact O-N 3.28Å; F297-K317 HydrophobicContact CD1-CD 4.36Å; F297-K317 PolarHBondContact O-NZ 3.24Å |
| 298 | C | 92.9 | Very high | 93.9 | Very high | 5 Ų | 5 | 45 Ų | 45 | 3% | 0.034 | 23% | 0.227 | C | C | . | . | S | Bend | trans | 47 | 52.6 | 177.6 | -50.7 | 0 | 0 | 0 | 0 | 114.1 | L273 Q296 N300 A301 | L273-C298 PolarHBondContact O-SG 3.05Å; Q296-C298 PolarHBondContact O-N 3.26Å; C298-N300 PolarHBondContact O-N 3.12Å; C298-N300 VanDerWaalsContact O-N 3.14Å; C298-A301 HydrophobicContact CB-CB 3.88Å; C298-A301 PolarHBondContact O-N 2.99Å; C298-A301 VanDerWaalsContact O-N 3.16Å |
| 299 | P | 89 | Confident | 94.2 | Very high | 67 Ų | 67 | 42.9 Ų | 42.9 | 44% | 0.435 | 22% | 0.216 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -66.4 | -21.4 | -167.4 | 28.7 | -35.8 | 0 | 0 | 0 | 113.8 | Q274 Q296 | Q274-P299 VanDerWaalsContact NE2-CD 3.31Å; Q274-P299 VanDerWaalsContact NE2-CG 3.29Å; Q296-P299 WeakPolarHBondContact O-CD 3.41Å |
| 300 | N | 91.5 | Very high | 94.4 | Very high | 120 Ų | 120 | 46 Ų | 46 | 64% | 0.642 | 23% | 0.227 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -99.5 | -4.6 | -178.3 | -59.4 | -44 | 0 | 0 | 0 | 113.1 | C298 | C298-N300 PolarHBondContact O-N 3.12Å; C298-N300 VanDerWaalsContact O-N 3.14Å |
| 301 | A | 97.1 | Very high | 94.6 | Very high | 10 Ų | 10 | 48.8 Ų | 48.8 | 8% | 0.083 | 25% | 0.251 | C | S | . | . | trans | -85.9 | 133.7 | -173.6 | 0 | 0 | 0 | 0 | 0 | 111.3 | A276 D277 L279 C298 | A276-A301 HydrophobicContact CB-CB 4.48Å; A276-A301 WeakPolarHBondContact O-CB 3.42Å; D277-A301 WeakPolarHBondContact O-CA 3.48Å; L279-A301 HydrophobicContact CB-CB 4.25Å; C298-A301 HydrophobicContact CB-CB 3.88Å; C298-A301 PolarHBondContact O-N 2.99Å; C298-A301 VanDerWaalsContact O-N 3.16Å | ||
| 302 | K | 98.3 | Very high | 94.8 | Very high | 114 Ų | 114 | 49.4 Ų | 49.4 | 50% | 0.496 | 25% | 0.254 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.8 | 154.9 | 156.3 | -60.1 | -173.6 | -179.4 | 176.2 | 0 | 109.1 | M207 D277 L278 L279 | M207-K302 HydrophobicContact CE-CB 3.5Å; M207-K302 VanDerWaalsContact CE-CB 3.5Å; M207-K302 HydrophobicContact CE-CD 3.93Å; M207-K302 HydrophobicContact CE-CG 4.35Å; D277-K302 PolarHBondContact O-N 2.99Å; L278-K302 CarbonylContact C-O 3.5Å; L278-K302 WeakPolarHBondContact CA-O 3.33Å; L278-K302 HydrophobicContact CD1-CB 4Å; L279-K302 PolarHBondContact N-O 3.12Å |
| 303 | I | 98.3 | Very high | 95 | Very high | 10 Ų | 10 | 50.1 Ų | 50.1 | 5% | 0.051 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.9 | 125.4 | -174.8 | -60.5 | 176.2 | 0 | 0 | 0 | 109.9 | L279 V281 F286 H305 K317 P319 H320 V321 | L279-I303 HydrophobicContact CB-CG1 4.4Å; L279-I303 WeakPolarHBondContact O-CA 3.16Å; V281-I303 HydrophobicContact CG2-CG2 4.32Å; F286-I303 HydrophobicContact CZ-CG2 4.03Å; I303-H305 HydrophobicContact CG2-CB 4.36Å; I303-K317 HydrophobicContact CD1-CB 4.19Å; I303-K317 HydrophobicContact CD1-CD 4.01Å; I303-P319 HydrophobicContact CB-CB 4.46Å; I303-P319 HydrophobicContact CG2-CB 3.97Å; I303-H320 PolarHBondContact N-ND1 3.31Å; I303-H320 VanDerWaalsContact N-ND1 3.18Å; I303-H320 WeakPolarHBondContact O-CA 3.39Å; I303-H320 WeakPolarHBondContact O-CB 3.48Å; I303-H320 PolarHBondContact O-N 2.87Å; I303-V321 PolarHBondContact O-N 3.26Å; I303-V321 VanDerWaalsContact O-N 3.17Å |
| 304 | I | 98.6 | Very high | 95.2 | Very high | 1 Ų | 1 | 48.2 Ų | 48.2 | 1% | 0.005 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.1 | 127.6 | 162 | -60.6 | 164 | 0 | 0 | 0 | 106.2 | A204 M207 I208 L278 L279 I280 V281 V306 V321 | A204-I304 HydrophobicContact CB-CD1 4Å; A204-I304 HydrophobicContact CB-CG1 4.49Å; A204-I304 HydrophobicContact CB-CG2 4.09Å; M207-I304 HydrophobicContact CB-CD1 3.98Å; M207-I304 HydrophobicContact CE-CG1 3.95Å; M207-I304 HydrophobicContact SD-CD1 4.42Å; M207-I304 HydrophobicContact SD-CG1 4.03Å; I208-I304 HydrophobicContact CD1-CD1 4.26Å; I208-I304 HydrophobicContact CG1-CD1 3.88Å; L278-I304 HydrophobicContact CD1-CD1 4Å; L278-I304 HydrophobicContact CD1-CG1 4.09Å; L278-I304 HydrophobicContact CD2-CD1 4.17Å; L279-I304 PolarHBondContact O-N 3.37Å; I280-I304 HydrophobicContact CG1-CD1 4.38Å; V281-I304 PolarHBondContact N-O 3.28Å; I304-V306 HydrophobicContact CG2-CG2 4.41Å; I304-V321 CarbonylContact C-O 3.55Å; I304-V321 WeakPolarHBondContact CA-O 3.4Å; I304-V321 HydrophobicContact CG1-CB 4.27Å; I304-V321 HydrophobicContact CG2-CB 4.44Å; I304-V321 HydrophobicContact CG2-CG1 4.45Å |
| 305 | H | 98.5 | Very high | 95.4 | Very high | 0 Ų | 0 | 51.2 Ų | 51.2 | 0% | 0 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.5 | 115.5 | -179.5 | -169 | -171.9 | 0 | 0 | 0 | 110.7 | V281 A284 F286 I303 L313 P319 V321 A322 I323 | V281-H305 HydrophobicContact CB-CB 4.5Å; A284-H305 PolarHBondContact O-NE2 3.3Å; F286-H305 AromaticContact CD2-CE1 3.74Å; F286-H305 AromaticContact CE2-CE1 3.58Å; F286-H305 AromaticContact CE2-CG 3.98Å; F286-H305 AromaticContact CE2-ND1 3.5Å; F286-H305 WeakPolarHBondContact CE2-ND1 3.41Å; I303-H305 HydrophobicContact CG2-CB 4.36Å; H305-L313 HydrophobicContact CB-CD2 4.14Å; H305-P319 HydrophobicContact CB-CB 3.67Å; H305-P319 HydrophobicContact CB-CG 4.21Å; H305-V321 PolarHBondContact N-O 3.41Å; H305-A322 WeakPolarHBondContact O-CA 3.29Å; H305-I323 PolarHBondContact O-N 3.32Å |
| 306 | V | 98.3 | Very high | 95.6 | Very high | 1 Ų | 1 | 48.1 Ų | 48.1 | 1% | 0.006 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.2 | 116.1 | 176.3 | -172.7 | 0 | 0 | 0 | 0 | 108.4 | V281 L282 G283 I304 I323 V327 V330 | V281-V306 PolarHBondContact O-N 3.21Å; L282-V306 HydrophobicContact CD2-CB 3.79Å; L282-V306 HydrophobicContact CD2-CG2 3.59Å; G283-V306 PolarHBondContact N-O 3.33Å; I304-V306 HydrophobicContact CG2-CG2 4.41Å; V306-I323 WeakPolarHBondContact CA-O 3.32Å; V306-I323 HydrophobicContact CG1-CB 4.44Å; V306-I323 HydrophobicContact CG2-CB 4.21Å; V306-I323 HydrophobicContact CG2-CD1 4.32Å; V306-V327 HydrophobicContact CG1-CG2 4.11Å; V306-V330 HydrophobicContact CG1-CB 4.09Å; V306-V330 HydrophobicContact CG1-CG1 4.13Å; V306-V330 HydrophobicContact CG1-CG2 3.81Å; V306-V330 HydrophobicContact CG2-CG1 4.04Å |
| 307 | D | 98 | Very high | 95.7 | Very high | 13 Ų | 13 | 45.8 Ų | 45.8 | 7% | 0.07 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.4 | 146.4 | 174.7 | -154.8 | -66.4 | 0 | 0 | 0 | 109.6 | D309 E312 L313 I323 Q324 A325 | D307-D309 VanDerWaalsContact C-N 3.3Å; D307-D309 PolarHBondContact OD1-N 3.38Å; D307-E312 HydrophobicContact CB-CB 4.36Å; D307-L313 HydrophobicContact CB-CD2 3.82Å; D307-L313 HydrophobicContact CB-CG 4.34Å; D307-I323 PolarHBondContact N-O 3.14Å; D307-I323 VanDerWaalsContact N-O 3.16Å; D307-Q324 CarbonylContact O-C 3.43Å; D307-Q324 VanDerWaalsContact O-CA 3.24Å; D307-Q324 WeakPolarHBondContact O-CA 3.21Å; D307-A325 CarbonylContact C-O 3.58Å; D307-A325 PolarHBondContact O-N 2.56Å; D307-A325 VanDerWaalsContact O-N 3.09Å |
| 308 | I | 97.2 | Very high | 95.8 | Very high | 25 Ų | 25 | 52.1 Ų | 52.1 | 13% | 0.128 | 27% | 0.272 | C | S | . | . | S | Bend | trans | -77.5 | -24.4 | 178.2 | -162.5 | 162.2 | 0 | 0 | 0 | 111.4 | R162 A325 D326 | R162-I308 HydrophobicContact CB-CG2 3.97Å; I308-A325 VanDerWaalsContact CA-O 3.29Å; I308-A325 WeakPolarHBondContact CA-O 3.44Å; I308-A325 WeakPolarHBondContact CB-O 3.42Å; I308-A325 PolarHBondContact N-O 2.87Å; I308-D326 HydrophobicContact CD1-CB 4.14Å |
| 309 | D | 96.1 | Very high | 96 | Very high | 39 Ų | 39 | 52.4 Ų | 52.4 | 21% | 0.209 | 27% | 0.274 | C | S | . | . | trans | -93.4 | 111.3 | 178.8 | -167.9 | -13.1 | 0 | 0 | 0 | 110.8 | R162 D307 A311 E312 | R162-D309 HydrophobicContact CB-CB 4.17Å; R162-D309 IonicContact NH1-OD2 2.74Å; D307-D309 VanDerWaalsContact C-N 3.3Å; D307-D309 PolarHBondContact OD1-N 3.38Å; D309-A311 PolarHBondContact O-N 2.82Å; D309-A311 VanDerWaalsContact O-N 3.12Å; D309-A311 WeakPolarHBondContact OD1-CB 3.31Å; D309-A311 PolarHBondContact OD1-N 3.31Å; D309-E312 HydrophobicContact CB-CG 3.98Å; D309-E312 WeakPolarHBondContact O-CB 3.25Å; D309-E312 PolarHBondContact O-N 2.83Å | ||
| 310 | R | 95.1 | Very high | 96.4 | Very high | 184 Ų | 184 | 54.3 Ų | 54.3 | 69% | 0.694 | 28% | 0.277 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.6 | -31.8 | 177.3 | -173 | 173.4 | 174.4 | 178.8 | -0.2 | 112.6 | E312 L313 Q324 | R310-E312 PolarHBondContact O-N 3.02Å; R310-L313 PolarHBondContact O-N 3.36Å; R310-Q324 HydrophobicContact CB-CG 4.29Å |
| 311 | A | 95.6 | Very high | 96.7 | Very high | 67 Ų | 67 | 49.2 Ų | 49.2 | 55% | 0.554 | 25% | 0.25 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -70.2 | -15.5 | -178 | 0 | 0 | 0 | 0 | 0 | 113.1 | D309 K315 | D309-A311 PolarHBondContact O-N 2.82Å; D309-A311 VanDerWaalsContact O-N 3.12Å; D309-A311 WeakPolarHBondContact OD1-CB 3.31Å; D309-A311 PolarHBondContact OD1-N 3.31Å; A311-K315 WeakPolarHBondContact O-CB 3.48Å |
| 312 | E | 96.6 | Very high | 96.7 | Very high | 15 Ų | 15 | 51 Ų | 51 | 7% | 0.07 | 26% | 0.264 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -86.2 | -27.1 | 176.4 | -65.4 | -63.7 | 155.3 | 0 | 0 | 112.4 | R162 R285 D307 D309 R310 G314 K315 | R162-E312 IonicContact CZ-OE1 3.51Å; R162-E312 IonicContact NH1-OE1 2.68Å; R162-E312 PolarHBondContact NH1-OE1 3.01Å; R285-E312 WeakPolarHBondContact CB-OE2 3.45Å; D307-E312 HydrophobicContact CB-CB 4.36Å; D309-E312 HydrophobicContact CB-CG 3.98Å; D309-E312 WeakPolarHBondContact O-CB 3.25Å; D309-E312 PolarHBondContact O-N 2.83Å; R310-E312 PolarHBondContact O-N 3.02Å; E312-G314 PolarHBondContact O-N 2.94Å; E312-K315 PolarHBondContact O-N 3.35Å; E312-K315 IonicContact OE1-NZ 3.27Å; E312-K315 PolarHBondContact OE1-NZ 2.96Å; E312-K315 WeakPolarHBondContact OE2-CE 3.27Å; E312-K315 IonicContact OE2-NZ 2.72Å; E312-K315 PolarHBondContact OE2-NZ 2.94Å |
| 313 | L | 95.7 | Very high | 96.7 | Very high | 34 Ų | 34 | 45.7 Ų | 45.7 | 18% | 0.178 | 24% | 0.241 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -71.9 | 116.3 | -179.4 | -60.1 | 177.2 | 0 | 0 | 0 | 110.7 | H305 D307 R310 K315 A322 Q324 | H305-L313 HydrophobicContact CB-CD2 4.14Å; D307-L313 HydrophobicContact CB-CD2 3.82Å; D307-L313 HydrophobicContact CB-CG 4.34Å; R310-L313 PolarHBondContact O-N 3.36Å; L313-K315 VanDerWaalsContact C-N 3.28Å; L313-K315 PolarHBondContact O-N 3.23Å; L313-A322 HydrophobicContact CD1-CB 4.29Å; L313-Q324 HydrophobicContact CD1-CB 3.86Å |
| 314 | G | 94.7 | Very high | 96.6 | Very high | 44 Ų | 44 | 48.4 Ų | 48.4 | 45% | 0.454 | 25% | 0.254 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 78.4 | 5.6 | -179.5 | 0 | 0 | 0 | 0 | 0 | 115 | E312 K317 | E312-G314 PolarHBondContact O-N 2.94Å; G314-K317 WeakPolarHBondContact CA-O 3.18Å |
| 315 | K | 95.8 | Very high | 96.6 | Very high | 104 Ų | 104 | 48.4 Ų | 48.4 | 45% | 0.452 | 25% | 0.254 | S | S | . | . | S | Bend | trans | -65.9 | -45.9 | -178.8 | -174.3 | 176.9 | 61.4 | 177.7 | 0 | 113.2 | A311 E312 L313 | A311-K315 WeakPolarHBondContact O-CB 3.48Å; E312-K315 PolarHBondContact O-N 3.35Å; E312-K315 IonicContact OE1-NZ 3.27Å; E312-K315 PolarHBondContact OE1-NZ 2.96Å; E312-K315 WeakPolarHBondContact OE2-CE 3.27Å; E312-K315 IonicContact OE2-NZ 2.72Å; E312-K315 PolarHBondContact OE2-NZ 2.94Å; L313-K315 VanDerWaalsContact C-N 3.28Å; L313-K315 PolarHBondContact O-N 3.23Å |
| 316 | I | 95.1 | Very high | 96.5 | Very high | 75 Ų | 75 | 49.7 Ų | 49.7 | 39% | 0.385 | 26% | 0.261 | S | S | . | . | S | Bend | trans | -113.7 | -43.7 | -176.3 | -57.3 | -60.5 | 0 | 0 | 0 | 111.1 | F286 I291 T294 | F286-I316 HydrophobicContact CB-CB 4.05Å; F286-I316 HydrophobicContact CB-CG1 4.48Å; F286-I316 HydrophobicContact CB-CG2 4.2Å; I291-I316 HydrophobicContact CD1-CG2 3.67Å; T294-I316 HydrophobicContact CG2-CG2 3.87Å |
| 317 | K | 93.8 | Very high | 96.4 | Very high | 30 Ų | 30 | 50 Ų | 50 | 13% | 0.13 | 26% | 0.262 | C | S | . | . | S | Bend | trans | -127.1 | 138.7 | 175.3 | -74.3 | -153 | 140 | 162.8 | 0 | 111.3 | F286 T294 F297 I303 G314 P319 | F286-K317 HydrophobicContact CE2-CB 4.37Å; F286-K317 HydrophobicContact CZ-CB 4.4Å; T294-K317 HydrophobicContact CG2-CG 3.98Å; T294-K317 WeakPolarHBondContact O-CE 3.4Å; T294-K317 PolarHBondContact O-NZ 3.36Å; F297-K317 HydrophobicContact CD1-CD 4.36Å; F297-K317 PolarHBondContact O-NZ 3.24Å; I303-K317 HydrophobicContact CD1-CB 4.19Å; I303-K317 HydrophobicContact CD1-CD 4.01Å; G314-K317 WeakPolarHBondContact CA-O 3.18Å; K317-P319 VanDerWaalsContact O-CD 3.26Å; K317-P319 WeakPolarHBondContact O-CD 3.26Å |
| 318 | Q | 95.1 | Very high | 96.3 | Very high | 137 Ų | 137 | 51 Ų | 51 | 64% | 0.64 | 27% | 0.268 | S | S | * | . | trans | -74.4 | 120.2 | 174.3 | -163.6 | -75.4 | -10.2 | 0 | 0 | 108.8 | ||||
| 319 | P | 97 | Very high | 96.3 | Very high | 10 Ų | 10 | 53.4 Ų | 53.4 | 7% | 0.065 | 28% | 0.281 | C | S | . | . | trans | -84.9 | 145.9 | 172.7 | 35.8 | -36.8 | 0 | 0 | 0 | 111.7 | I303 H305 K317 A322 | I303-P319 HydrophobicContact CB-CB 4.46Å; I303-P319 HydrophobicContact CG2-CB 3.97Å; H305-P319 HydrophobicContact CB-CB 3.67Å; H305-P319 HydrophobicContact CB-CG 4.21Å; K317-P319 VanDerWaalsContact O-CD 3.26Å; K317-P319 WeakPolarHBondContact O-CD 3.26Å; P319-A322 HydrophobicContact CG-CB 3.68Å | ||
| 320 | H | 98 | Very high | 96.4 | Very high | 108 Ų | 108 | 51.6 Ų | 51.6 | 50% | 0.5 | 27% | 0.271 | S | S | . | . | S | Bend | trans | -72.2 | -36.1 | 172.6 | -64.7 | 59.4 | 0 | 0 | 0 | 111.1 | M207 I303 | M207-H320 HydrophobicContact CE-CB 3.82Å; M207-H320 HydrophobicContact SD-CB 4.45Å; I303-H320 PolarHBondContact N-ND1 3.31Å; I303-H320 VanDerWaalsContact N-ND1 3.18Å; I303-H320 WeakPolarHBondContact O-CA 3.39Å; I303-H320 WeakPolarHBondContact O-CB 3.48Å; I303-H320 PolarHBondContact O-N 2.87Å |
| 321 | V | 97.9 | Very high | 96.5 | Very high | 12 Ų | 12 | 42.8 Ų | 42.8 | 7% | 0.073 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.9 | 121.8 | 169.6 | 173.8 | 0 | 0 | 0 | 0 | 108.3 | D203 A204 M207 I303 I304 H305 I323 | D203-V321 HydrophobicContact CB-CG2 3.9Å; A204-V321 HydrophobicContact CB-CG1 4.31Å; M207-V321 HydrophobicContact SD-CB 4.34Å; M207-V321 HydrophobicContact SD-CG2 3.47Å; M207-V321 WeakPolarHBondContact SD-CG2 3.18Å; I303-V321 PolarHBondContact O-N 3.26Å; I303-V321 VanDerWaalsContact O-N 3.17Å; I304-V321 CarbonylContact C-O 3.55Å; I304-V321 WeakPolarHBondContact CA-O 3.4Å; I304-V321 HydrophobicContact CG1-CB 4.27Å; I304-V321 HydrophobicContact CG2-CB 4.44Å; I304-V321 HydrophobicContact CG2-CG1 4.45Å; H305-V321 PolarHBondContact N-O 3.41Å; V321-I323 HydrophobicContact CG1-CD1 4.15Å; V321-I323 HydrophobicContact CG1-CG1 3.93Å |
| 322 | A | 97.7 | Very high | 96.6 | Very high | 47 Ų | 47 | 41.5 Ų | 41.5 | 39% | 0.388 | 23% | 0.228 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.2 | 130.2 | 175.8 | 0 | 0 | 0 | 0 | 0 | 109.6 | H305 L313 P319 | H305-A322 WeakPolarHBondContact O-CA 3.29Å; L313-A322 HydrophobicContact CD1-CB 4.29Å; P319-A322 HydrophobicContact CG-CB 3.68Å |
| 323 | I | 97.8 | Very high | 96.6 | Very high | 3 Ų | 3 | 45 Ų | 45 | 2% | 0.015 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.6 | 112.8 | 179.1 | -50.6 | -177.8 | 0 | 0 | 0 | 108.5 | F196 I201 A204 H305 V306 D307 V321 A325 V330 | F196-I323 HydrophobicContact CB-CG2 3.89Å; F196-I323 HydrophobicContact CD2-CG2 4.34Å; F196-I323 HydrophobicContact CG-CG2 4.21Å; I201-I323 HydrophobicContact CD1-CD1 3.9Å; A204-I323 HydrophobicContact CB-CD1 4.31Å; H305-I323 PolarHBondContact O-N 3.32Å; V306-I323 WeakPolarHBondContact CA-O 3.32Å; V306-I323 HydrophobicContact CG1-CB 4.44Å; V306-I323 HydrophobicContact CG2-CB 4.21Å; V306-I323 HydrophobicContact CG2-CD1 4.32Å; D307-I323 PolarHBondContact N-O 3.14Å; D307-I323 VanDerWaalsContact N-O 3.16Å; V321-I323 HydrophobicContact CG1-CD1 4.15Å; V321-I323 HydrophobicContact CG1-CG1 3.93Å; I323-A325 HydrophobicContact CG2-CB 4.09Å; I323-A325 PolarHBondContact O-N 2.64Å; I323-V330 HydrophobicContact CD1-CG1 4.3Å; I323-V330 HydrophobicContact CG2-CG2 3.73Å |
| 324 | Q | 97.1 | Very high | 96.8 | Very high | 67 Ų | 67 | 43.5 Ų | 43.5 | 31% | 0.313 | 24% | 0.236 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.2 | 97.6 | 174.4 | -172.9 | -166.5 | -9.8 | 0 | 0 | 110 | P194 D307 R310 L313 | P194-Q324 HydrophobicContact CB-CG 4.46Å; P194-Q324 HydrophobicContact CG-CG 4.33Å; D307-Q324 CarbonylContact O-C 3.43Å; D307-Q324 VanDerWaalsContact O-CA 3.24Å; D307-Q324 WeakPolarHBondContact O-CA 3.21Å; R310-Q324 HydrophobicContact CB-CG 4.29Å; L313-Q324 HydrophobicContact CD1-CB 3.86Å |
| 325 | A | 96.7 | Very high | 96.9 | Very high | 1 Ų | 1 | 41.7 Ų | 41.7 | 1% | 0.008 | 22% | 0.216 | C | C | . | . | S | Bend | trans | -166.4 | 169.7 | -176.1 | 0 | 0 | 0 | 0 | 0 | 112.9 | F196 D307 I308 I323 V330 | F196-A325 HydrophobicContact CB-CB 4.15Å; F196-A325 HydrophobicContact CD1-CB 3.35Å; F196-A325 HydrophobicContact CE1-CB 3.89Å; F196-A325 HydrophobicContact CG-CB 3.89Å; D307-A325 CarbonylContact C-O 3.58Å; D307-A325 PolarHBondContact O-N 2.56Å; D307-A325 VanDerWaalsContact O-N 3.09Å; I308-A325 VanDerWaalsContact CA-O 3.29Å; I308-A325 WeakPolarHBondContact CA-O 3.44Å; I308-A325 WeakPolarHBondContact CB-O 3.42Å; I308-A325 PolarHBondContact N-O 2.87Å; I323-A325 HydrophobicContact CG2-CB 4.09Å; I323-A325 PolarHBondContact O-N 2.64Å; A325-V330 HydrophobicContact CB-CG2 3.42Å; A325-V330 VanDerWaalsContact CB-CG2 3.42Å |
| 326 | D | 96.7 | Very high | 97 | Very high | 28 Ų | 28 | 41 Ų | 41 | 15% | 0.15 | 22% | 0.222 | C | C | . | . | trans | -67.1 | 134.8 | 163.7 | -164.2 | -68.4 | 0 | 0 | 0 | 109.4 | K190 A193 I308 D328 D329 V330 | K190-D326 IonicContact NZ-OD2 3.52Å; K190-D326 PolarHBondContact NZ-OD2 3.04Å; K190-D326 VanDerWaalsContact NZ-OD2 3.09Å; A193-D326 HydrophobicContact CB-CB 4.13Å; I308-D326 HydrophobicContact CD1-CB 4.14Å; D326-D328 VanDerWaalsContact C-N 3.26Å; D326-D328 PolarHBondContact O-N 2.81Å; D326-D328 WeakPolarHBondContact OD1-CB 3.43Å; D326-D328 PolarHBondContact OD1-N 3.48Å; D326-D329 HydrophobicContact CB-CB 4.45Å; D326-D329 PolarHBondContact O-N 3.45Å; D326-V330 PolarHBondContact O-N 2.93Å | ||
| 327 | V | 97.1 | Very high | 97.2 | Very high | 6 Ų | 6 | 41.2 Ų | 41.2 | 4% | 0.036 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -61.7 | -37.8 | -175.8 | 171.7 | 0 | 0 | 0 | 0 | 110.9 | V222 L282 V306 D329 V330 L331 | V222-V327 HydrophobicContact CG1-CG1 4.11Å; V222-V327 HydrophobicContact CG1-CG2 4.42Å; L282-V327 HydrophobicContact CB-CG1 4.1Å; L282-V327 HydrophobicContact CB-CG2 4.45Å; L282-V327 HydrophobicContact CD1-CG1 4.2Å; V306-V327 HydrophobicContact CG1-CG2 4.11Å; V327-D329 PolarHBondContact O-N 3.44Å; V327-V330 PolarHBondContact O-N 3.08Å; V327-L331 HydrophobicContact CG1-CD1 3.77Å; V327-L331 HydrophobicContact CG1-CG 4.07Å; V327-L331 WeakPolarHBondContact O-CB 3.3Å; V327-L331 VanDerWaalsContact O-CG 3.24Å; V327-L331 WeakPolarHBondContact O-CG 3.49Å; V327-L331 PolarHBondContact O-N 3.47Å |
| 328 | D | 96.5 | Very high | 97.4 | Very high | 36 Ų | 36 | 39.9 Ų | 39.9 | 19% | 0.193 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -65.2 | -41.5 | -176.9 | -163 | 48.1 | 0 | 0 | 0 | 111.7 | A225 R228 D326 L331 A332 | A225-D328 HydrophobicContact CB-CB 3.81Å; A225-D328 WeakPolarHBondContact CB-OD1 3.21Å; R228-D328 VanDerWaalsContact CD-OD1 3.32Å; R228-D328 WeakPolarHBondContact CD-OD1 3.42Å; R228-D328 IonicContact CZ-OD1 2.75Å; R228-D328 IonicContact CZ-OD2 2.65Å; R228-D328 IonicContact NE-OD1 2.89Å; R228-D328 IonicContact NH1-OD1 2.62Å; R228-D328 PolarHBondContact NH1-OD1 3.17Å; R228-D328 IonicContact NH1-OD2 3.12Å; R228-D328 PolarHBondContact NH1-OD2 2.84Å; D326-D328 VanDerWaalsContact C-N 3.26Å; D326-D328 PolarHBondContact O-N 2.81Å; D326-D328 WeakPolarHBondContact OD1-CB 3.43Å; D326-D328 PolarHBondContact OD1-N 3.48Å; D328-L331 PolarHBondContact O-N 2.87Å; D328-A332 PolarHBondContact O-N 3.48Å |
| 329 | D | 96.4 | Very high | 97.5 | Very high | 74 Ų | 74 | 38.8 Ų | 38.8 | 40% | 0.396 | 21% | 0.213 | S | C | . | . | H | α-helix | trans | -64.9 | -41.1 | 176.9 | -68.5 | -26.9 | 0 | 0 | 0 | 111.8 | F196 D326 V327 A332 Q333 | F196-D329 HydrophobicContact CE1-CB 3.93Å; F196-D329 HydrophobicContact CZ-CB 4.18Å; D326-D329 HydrophobicContact CB-CB 4.45Å; D326-D329 PolarHBondContact O-N 3.45Å; V327-D329 PolarHBondContact O-N 3.44Å; D329-A332 PolarHBondContact O-N 3Å; D329-Q333 PolarHBondContact O-N 3.22Å |
| 330 | V | 97.7 | Very high | 97.5 | Very high | 1 Ų | 1 | 42 Ų | 42 | 1% | 0.006 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -63.9 | -46.8 | 175.7 | 169.8 | 0 | 0 | 0 | 0 | 110.6 | F196 I201 V306 I323 A325 D326 V327 A332 Q333 L334 | F196-V330 HydrophobicContact CD1-CG2 4.49Å; F196-V330 HydrophobicContact CD2-CG2 4.45Å; F196-V330 HydrophobicContact CE1-CG2 4.29Å; F196-V330 HydrophobicContact CE2-CG2 4.25Å; F196-V330 HydrophobicContact CZ-CG2 4.15Å; I201-V330 HydrophobicContact CD1-CB 4.37Å; I201-V330 HydrophobicContact CD1-CG1 3.73Å; I201-V330 HydrophobicContact CD1-CG2 4.37Å; V306-V330 HydrophobicContact CG1-CB 4.09Å; V306-V330 HydrophobicContact CG1-CG1 4.13Å; V306-V330 HydrophobicContact CG1-CG2 3.81Å; V306-V330 HydrophobicContact CG2-CG1 4.04Å; I323-V330 HydrophobicContact CD1-CG1 4.3Å; I323-V330 HydrophobicContact CG2-CG2 3.73Å; A325-V330 HydrophobicContact CB-CG2 3.42Å; A325-V330 VanDerWaalsContact CB-CG2 3.42Å; D326-V330 PolarHBondContact O-N 2.93Å; V327-V330 PolarHBondContact O-N 3.08Å; V330-A332 VanDerWaalsContact C-N 3.29Å; V330-A332 PolarHBondContact O-N 3.32Å; V330-Q333 PolarHBondContact O-N 2.66Å; V330-L334 WeakPolarHBondContact O-CB 3.17Å; V330-L334 PolarHBondContact O-N 3.33Å |
| 331 | L | 98.1 | Very high | 97.2 | Very high | 0 Ų | 0 | 38.7 Ų | 38.7 | 0% | 0 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -62.3 | -37.4 | 179.3 | -70.1 | 177.8 | 0 | 0 | 0 | 111.9 | A225 R228 V229 L232 L282 V327 D328 Q333 L334 I335 | A225-L331 HydrophobicContact CB-CD1 4.37Å; R228-L331 HydrophobicContact CB-CB 3.86Å; R228-L331 HydrophobicContact CB-CD1 3.83Å; V229-L331 HydrophobicContact CG2-CD1 3.68Å; L232-L331 HydrophobicContact CB-CD2 4.28Å; L232-L331 HydrophobicContact CD2-CD2 3.45Å; L232-L331 VanDerWaalsContact CD2-CD2 3.45Å; L232-L331 HydrophobicContact CG-CD2 4.41Å; L282-L331 HydrophobicContact CD1-CD1 4.36Å; L282-L331 HydrophobicContact CD1-CD2 3.95Å; V327-L331 HydrophobicContact CG1-CD1 3.77Å; V327-L331 HydrophobicContact CG1-CG 4.07Å; V327-L331 WeakPolarHBondContact O-CB 3.3Å; V327-L331 VanDerWaalsContact O-CG 3.24Å; V327-L331 WeakPolarHBondContact O-CG 3.49Å; V327-L331 PolarHBondContact O-N 3.47Å; D328-L331 PolarHBondContact O-N 2.87Å; L331-Q333 VanDerWaalsContact C-N 3.25Å; L331-Q333 PolarHBondContact O-N 2.93Å; L331-L334 HydrophobicContact CD2-CD2 4.44Å; L331-L334 PolarHBondContact O-N 2.84Å; L331-I335 HydrophobicContact CB-CD1 4.11Å; L331-I335 WeakPolarHBondContact O-CB 3.17Å; L331-I335 WeakPolarHBondContact O-CD1 3.44Å; L331-I335 WeakPolarHBondContact O-CG1 3.39Å; L331-I335 PolarHBondContact O-N 3.32Å |
| 332 | A | 97.3 | Very high | 96.8 | Very high | 40 Ų | 40 | 43 Ų | 43 | 33% | 0.331 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -58.7 | -35.1 | 177.4 | 0 | 0 | 0 | 0 | 0 | 113.2 | D328 D329 V330 P336 | D328-A332 PolarHBondContact O-N 3.48Å; D329-A332 PolarHBondContact O-N 3Å; V330-A332 VanDerWaalsContact C-N 3.29Å; V330-A332 PolarHBondContact O-N 3.32Å; A332-P336 VanDerWaalsContact O-CD 3.32Å; A332-P336 WeakPolarHBondContact O-CD 3.29Å |
| 333 | Q | 97.5 | Very high | 96.7 | Very high | 87 Ų | 87 | 41.7 Ų | 41.7 | 41% | 0.407 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -91.9 | -30.1 | 177.7 | -62.3 | -173.9 | 34.7 | 0 | 0 | 113.3 | F196 I201 D329 V330 L331 | F196-Q333 VanDerWaalsContact CZ-NE2 3.29Å; I201-Q333 HydrophobicContact CG2-CB 4.15Å; D329-Q333 PolarHBondContact O-N 3.22Å; V330-Q333 PolarHBondContact O-N 2.66Å; L331-Q333 VanDerWaalsContact C-N 3.25Å; L331-Q333 PolarHBondContact O-N 2.93Å |
| 334 | L | 98.2 | Very high | 96.6 | Very high | 4 Ų | 4 | 45.1 Ų | 45.1 | 2% | 0.021 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -73.7 | -47.6 | -178.5 | -179 | 65.1 | 0 | 0 | 0 | 112.1 | I201 A204 A205 I208 L232 V330 L331 L337 V338 | I201-L334 HydrophobicContact CG2-CB 4.26Å; I201-L334 HydrophobicContact CG2-CD1 4.27Å; A204-L334 HydrophobicContact CB-CD1 3.95Å; A205-L334 HydrophobicContact CB-CD1 3.91Å; I208-L334 HydrophobicContact CD1-CD1 4.25Å; I208-L334 HydrophobicContact CD1-CD2 3.94Å; I208-L334 HydrophobicContact CD1-CG 4.4Å; L232-L334 HydrophobicContact CD2-CD2 4.43Å; V330-L334 WeakPolarHBondContact O-CB 3.17Å; V330-L334 PolarHBondContact O-N 3.33Å; L331-L334 HydrophobicContact CD2-CD2 4.44Å; L331-L334 PolarHBondContact O-N 2.84Å; L334-L337 PolarHBondContact O-N 3.42Å; L334-V338 HydrophobicContact CD1-CG2 4.12Å; L334-V338 HydrophobicContact CG-CG2 4.02Å; L334-V338 WeakPolarHBondContact O-CG2 3.36Å; L334-V338 PolarHBondContact O-N 2.51Å |
| 335 | I | 98.3 | Very high | 96.6 | Very high | 6 Ų | 6 | 50.4 Ų | 50.4 | 3% | 0.031 | 29% | 0.292 | C | S | . | . | G | 310 helix | trans | -54.4 | -44.5 | -173.9 | -70.5 | 165.7 | 0 | 0 | 0 | 112.4 | R228 E231 L232 K235 L331 L337 V338 | R228-I335 HydrophobicContact CB-CD1 3.97Å; R228-I335 HydrophobicContact CG-CD1 4.35Å; R228-I335 WeakPolarHBondContact O-CD1 3.24Å; E231-I335 HydrophobicContact CB-CD1 4.19Å; E231-I335 HydrophobicContact CG-CD1 4.2Å; E231-I335 HydrophobicContact CG-CG2 4.09Å; E231-I335 WeakPolarHBondContact OE1-CG2 3.45Å; L232-I335 HydrophobicContact CB-CD1 4.2Å; L232-I335 HydrophobicContact CB-CG1 3.98Å; L232-I335 HydrophobicContact CD1-CG1 4.23Å; K235-I335 HydrophobicContact CD-CG2 4.01Å; K235-I335 PolarHBondContact NZ-O 3.38Å; L331-I335 HydrophobicContact CB-CD1 4.11Å; L331-I335 WeakPolarHBondContact O-CB 3.17Å; L331-I335 WeakPolarHBondContact O-CD1 3.44Å; L331-I335 WeakPolarHBondContact O-CG1 3.39Å; L331-I335 PolarHBondContact O-N 3.32Å; I335-L337 PolarHBondContact O-N 2.95Å; I335-V338 PolarHBondContact O-N 3.26Å |
| 336 | P | 98.1 | Very high | 96.7 | Very high | 90 Ų | 90 | 50.7 Ų | 50.7 | 58% | 0.584 | 29% | 0.293 | S | S | * | . | G | 310 helix | trans | -57.2 | -30.1 | 176.6 | -28.4 | 36.4 | 0 | 0 | 0 | 115 | A332 | A332-P336 VanDerWaalsContact O-CD 3.32Å; A332-P336 WeakPolarHBondContact O-CD 3.29Å |
| 337 | L | 98.2 | Very high | 96.7 | Very high | 79 Ų | 79 | 51.4 Ų | 51.4 | 41% | 0.414 | 30% | 0.295 | S | S | . | . | G | 310 helix | trans | -89.9 | -14.7 | -177.8 | -57.2 | -178.9 | 0 | 0 | 0 | 113.5 | I201 R202 A205 N209 L334 I335 | I201-L337 HydrophobicContact CG2-CD1 4.03Å; R202-L337 HydrophobicContact CG-CD1 4.04Å; A205-L337 HydrophobicContact CB-CB 3.59Å; A205-L337 HydrophobicContact CB-CD1 4.37Å; N209-L337 PolarHBondContact ND2-O 3.05Å; L334-L337 PolarHBondContact O-N 3.42Å; I335-L337 PolarHBondContact O-N 2.95Å |
| 338 | V | 98.2 | Very high | 96.7 | Very high | 2 Ų | 2 | 56 Ų | 56 | 1% | 0.012 | 32% | 0.316 | C | S | . | . | S | Bend | trans | -81.3 | 130.1 | 177.4 | 174.6 | 0 | 0 | 0 | 0 | 109.8 | A205 I208 N209 L232 K235 A236 L334 I335 | A205-V338 HydrophobicContact CB-CG2 4.48Å; I208-V338 HydrophobicContact CB-CG2 4.42Å; I208-V338 HydrophobicContact CD1-CG2 4.11Å; I208-V338 HydrophobicContact CG2-CG1 3.78Å; I208-V338 HydrophobicContact CG2-CG2 4.13Å; N209-V338 WeakPolarHBondContact OD1-CA 3.27Å; L232-V338 HydrophobicContact CD1-CB 4.45Å; L232-V338 HydrophobicContact CD1-CG1 4.29Å; L232-V338 HydrophobicContact CD1-CG2 4.14Å; K235-V338 WeakPolarHBondContact CE-O 3.36Å; K235-V338 PolarHBondContact NZ-O 3.37Å; A236-V338 HydrophobicContact CB-CG1 3.6Å; L334-V338 HydrophobicContact CD1-CG2 4.12Å; L334-V338 HydrophobicContact CG-CG2 4.02Å; L334-V338 WeakPolarHBondContact O-CG2 3.36Å; L334-V338 PolarHBondContact O-N 2.51Å; I335-V338 PolarHBondContact O-N 3.26Å |
| 339 | E | 97 | Very high | 96.6 | Very high | 114 Ų | 114 | 57 Ų | 57 | 53% | 0.533 | 32% | 0.321 | S | S | . | . | P | Polyproline II helix | trans | -82.5 | 146.6 | 178.3 | -68.5 | 174.8 | -176.2 | 0 | 0 | 111.2 | N209 Q341 | N209-E339 PolarHBondContact OD1-N 3.18Å; E339-Q341 HydrophobicContact CB-CG 4.42Å; E339-Q341 PolarHBondContact O-N 3.36Å |
| 340 | A | 96.8 | Very high | 96.6 | Very high | 78 Ų | 78 | 53.9 Ų | 53.9 | 65% | 0.645 | 31% | 0.305 | S | S | * | . | P | Polyproline II helix | trans | -72.8 | 117.8 | 170.6 | 0 | 0 | 0 | 0 | 0 | 109.7 | K235 | K235-A340 VanDerWaalsContact O-CA 3.3Å; K235-A340 WeakPolarHBondContact O-CA 3.39Å |
| 341 | Q | 91.5 | Very high | 96.5 | Very high | 37 Ų | 37 | 55.4 Ų | 55.4 | 17% | 0.173 | 32% | 0.318 | C | S | . | . | trans | -131.5 | 125.4 | 179.5 | -67 | -166.7 | 14.6 | 0 | 0 | 110.2 | N209 Q237 E339 R343 | N209-Q341 PolarHBondContact O-NE2 3.4Å; Q237-Q341 WeakPolarHBondContact CB-O 3.4Å; Q237-Q341 WeakPolarHBondContact CG-O 3.45Å; E339-Q341 HydrophobicContact CB-CG 4.42Å; E339-Q341 PolarHBondContact O-N 3.36Å; Q341-R343 HydrophobicContact CB-CG 4.15Å; Q341-R343 PolarHBondContact O-N 3.04Å | ||
| 342 | P | 90.3 | Very high | 96.4 | Very high | 103 Ų | 103 | 58.3 Ų | 58.3 | 67% | 0.669 | 33% | 0.333 | S | S | * | . | trans | -75.2 | -21.2 | -174.8 | 28 | -34.8 | 0 | 0 | 0 | 114.4 | A344 H347 | P342-A344 PolarHBondContact O-N 2.95Å; P342-H347 PolarHBondContact O-CD2 3.1Å; P342-H347 VanDerWaalsContact O-CD2 3.32Å | ||
| 343 | R | 95.3 | Very high | 96.1 | Very high | 20 Ų | 20 | 57.2 Ų | 57.2 | 8% | 0.075 | 32% | 0.322 | C | S | . | . | trans | 47.2 | 40.3 | 175.4 | -55.9 | 178 | -173.4 | -74 | -2.3 | 114.8 | I208 A211 A236 Q341 E345 W346 H347 | I208-R343 PolarHBondContact O-NH2 3.24Å; A211-R343 PolarHBondContact O-NH1 2.81Å; A236-R343 WeakPolarHBondContact O-CD 3.44Å; A236-R343 PolarHBondContact O-NE 3.35Å; Q341-R343 HydrophobicContact CB-CG 4.15Å; Q341-R343 PolarHBondContact O-N 3.04Å; R343-E345 VanDerWaalsContact C-N 3.34Å; R343-E345 PolarHBondContact O-N 2.73Å; R343-W346 HydrophobicContact CB-CB 4.21Å; R343-W346 WeakPolarHBondContact O-CA 3.25Å; R343-W346 WeakPolarHBondContact O-CB 3.28Å; R343-W346 PolarHBondContact O-N 3.45Å; R343-H347 PolarHBondContact O-CD2 3.46Å; R343-H347 PolarHBondContact O-N 3.32Å | ||
| 344 | A | 96.4 | Very high | 95.8 | Very high | 74 Ų | 74 | 56.3 Ų | 56.3 | 61% | 0.612 | 32% | 0.317 | S | S | * | . | H | α-helix | trans | -53.6 | -43.4 | -170.1 | 0 | 0 | 0 | 0 | 0 | 114.2 | P342 W346 H347 Q348 | P342-A344 PolarHBondContact O-N 2.95Å; A344-W346 VanDerWaalsContact C-N 3.31Å; A344-W346 PolarHBondContact O-N 3.04Å; A344-H347 PolarHBondContact O-N 3.39Å; A344-Q348 WeakPolarHBondContact O-CB 3.14Å; A344-Q348 PolarHBondContact O-N 2.82Å |
| 345 | E | 96.9 | Very high | 95.4 | Very high | 179 Ų | 179 | 63.6 Ų | 63.6 | 84% | 0.836 | 34% | 0.344 | S | S | * | . | H | α-helix | trans | -61.3 | -38.7 | 176.8 | -66.9 | 178.2 | 179.4 | 0 | 0 | 112.5 | R343 Q348 L349 | R343-E345 VanDerWaalsContact C-N 3.34Å; R343-E345 PolarHBondContact O-N 2.73Å; E345-Q348 PolarHBondContact O-N 3.28Å; E345-L349 PolarHBondContact O-N 2.95Å; E345-L349 VanDerWaalsContact O-N 3.12Å |
| 346 | W | 97.5 | Very high | 94.8 | Very high | 7 Ų | 7 | 69.3 Ų | 69.3 | 3% | 0.027 | 37% | 0.371 | C | S | . | . | H | α-helix | trans | -70.2 | -44.9 | 178.4 | 178.6 | -137.7 | 0 | 0 | 0 | 111.7 | K212 R213 P214 V215 I272 E275 R343 A344 Q348 L349 V350 | K212-W346 WeakPolarHBondContact O-CB 3.46Å; R213-W346 HydrophobicContact CB-CD2 3.67Å; R213-W346 HydrophobicContact CB-CE3 3.76Å; R213-W346 HydrophobicContact CB-CG 4.18Å; R213-W346 HydrophobicContact CB-CH2 4.19Å; R213-W346 HydrophobicContact CB-CZ2 4.1Å; R213-W346 HydrophobicContact CB-CZ3 4.03Å; R213-W346 HydrophobicContact CG-CB 4.41Å; R213-W346 HydrophobicContact CG-CD2 3.76Å; R213-W346 HydrophobicContact CG-CE3 3.53Å; R213-W346 HydrophobicContact CG-CG 4.16Å; R213-W346 HydrophobicContact CG-CZ3 4.05Å; P214-W346 PolarHBondContact O-NE1 2.88Å; V215-W346 HydrophobicContact CG2-CZ2 3.74Å; I272-W346 HydrophobicContact CB-CH2 4.5Å; I272-W346 HydrophobicContact CG2-CH2 3.68Å; I272-W346 HydrophobicContact CG2-CZ2 3.64Å; I272-W346 WeakPolarHBondContact O-CH2 3.12Å; E275-W346 HydrophobicContact CB-CH2 3.97Å; E275-W346 HydrophobicContact CB-CZ3 3.95Å; R343-W346 HydrophobicContact CB-CB 4.21Å; R343-W346 WeakPolarHBondContact O-CA 3.25Å; R343-W346 WeakPolarHBondContact O-CB 3.28Å; R343-W346 PolarHBondContact O-N 3.45Å; A344-W346 VanDerWaalsContact C-N 3.31Å; A344-W346 PolarHBondContact O-N 3.04Å; W346-Q348 VanDerWaalsContact C-N 3.26Å; W346-Q348 PolarHBondContact O-N 3.12Å; W346-L349 HydrophobicContact CE3-CB 4.18Å; W346-L349 HydrophobicContact CE3-CD2 3.96Å; W346-L349 HydrophobicContact CE3-CG 4.31Å; W346-L349 HydrophobicContact CZ3-CB 4.43Å; W346-L349 HydrophobicContact CZ3-CD2 3.69Å; W346-L349 HydrophobicContact CZ3-CG 4.08Å; W346-L349 PolarHBondContact O-N 3.07Å; W346-V350 HydrophobicContact CD2-CG2 3.94Å; W346-V350 HydrophobicContact CE3-CG2 4.13Å; W346-V350 HydrophobicContact CH2-CG2 4.08Å; W346-V350 HydrophobicContact CZ2-CG2 3.88Å; W346-V350 HydrophobicContact CZ3-CG2 4.2Å; W346-V350 VanDerWaalsContact O-CG2 3.31Å; W346-V350 WeakPolarHBondContact O-CG2 3.33Å; W346-V350 PolarHBondContact O-N 3.23Å |
| 347 | H | 97.3 | Very high | 94.2 | Very high | 42 Ų | 42 | 66.4 Ų | 66.4 | 19% | 0.194 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -62.2 | -35.5 | 175.2 | -77.9 | -71.5 | 0 | 0 | 0 | 112.8 | Q237 L256 P342 R343 A344 V350 A351 | Q237-H347 WeakPolarHBondContact CB-NE2 3.47Å; Q237-H347 PolarHBondContact O-NE2 2.91Å; L256-H347 WeakPolarHBondContact CD2-CE1 3.46Å; P342-H347 PolarHBondContact O-CD2 3.1Å; P342-H347 VanDerWaalsContact O-CD2 3.32Å; R343-H347 PolarHBondContact O-CD2 3.46Å; R343-H347 PolarHBondContact O-N 3.32Å; A344-H347 PolarHBondContact O-N 3.39Å; H347-V350 PolarHBondContact O-N 2.85Å; H347-A351 VanDerWaalsContact O-CB 3.32Å; H347-A351 WeakPolarHBondContact O-CB 3.39Å; H347-A351 PolarHBondContact O-N 3.29Å |
| 348 | Q | 97.1 | Very high | 93.3 | Very high | 102 Ų | 102 | 66.7 Ų | 66.7 | 48% | 0.477 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -62.4 | -49.6 | 174.7 | -175.5 | 55.1 | 55.7 | 0 | 0 | 110.7 | A344 E345 W346 V350 A351 D352 R355 | A344-Q348 WeakPolarHBondContact O-CB 3.14Å; A344-Q348 PolarHBondContact O-N 2.82Å; E345-Q348 PolarHBondContact O-N 3.28Å; W346-Q348 VanDerWaalsContact C-N 3.26Å; W346-Q348 PolarHBondContact O-N 3.12Å; Q348-V350 PolarHBondContact O-N 3Å; Q348-A351 PolarHBondContact O-N 3.23Å; Q348-A351 VanDerWaalsContact O-N 3.17Å; Q348-D352 PolarHBondContact NE2-OD1 3.11Å; Q348-D352 PolarHBondContact NE2-OD2 2.83Å; Q348-D352 VanDerWaalsContact O-CG 3.32Å; Q348-D352 PolarHBondContact O-N 2.79Å; Q348-R355 VanDerWaalsContact NE2-NH2 3.12Å |
| 349 | L | 95.6 | Very high | 92.2 | Very high | 59 Ų | 59 | 68.7 Ų | 68.7 | 31% | 0.309 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -60.6 | -42.5 | 176.3 | 178.6 | 56.7 | 0 | 0 | 0 | 112.5 | E345 W346 A351 D352 L353 | E345-L349 PolarHBondContact O-N 2.95Å; E345-L349 VanDerWaalsContact O-N 3.12Å; W346-L349 HydrophobicContact CE3-CB 4.18Å; W346-L349 HydrophobicContact CE3-CD2 3.96Å; W346-L349 HydrophobicContact CE3-CG 4.31Å; W346-L349 HydrophobicContact CZ3-CB 4.43Å; W346-L349 HydrophobicContact CZ3-CD2 3.69Å; W346-L349 HydrophobicContact CZ3-CG 4.08Å; W346-L349 PolarHBondContact O-N 3.07Å; L349-A351 VanDerWaalsContact C-N 3.34Å; L349-A351 PolarHBondContact O-N 2.9Å; L349-D352 PolarHBondContact O-N 2.58Å; L349-L353 HydrophobicContact CD1-CD1 4.25Å; L349-L353 HydrophobicContact CD1-CG 4.25Å; L349-L353 HydrophobicContact CG-CD1 4.24Å; L349-L353 WeakPolarHBondContact O-CG 3.21Å; L349-L353 PolarHBondContact O-N 3.43Å |
| 350 | V | 96.3 | Very high | 91 | Very high | 8 Ų | 8 | 66.4 Ų | 66.4 | 5% | 0.048 | 36% | 0.364 | C | S | . | . | H | α-helix | trans | -58 | -47.1 | 174 | 165 | 0 | 0 | 0 | 0 | 111 | P239 L258 I272 W346 H347 Q348 L353 Q354 | P239-V350 HydrophobicContact CB-CG2 4.36Å; P239-V350 HydrophobicContact CG-CG2 3.9Å; L258-V350 HydrophobicContact CD2-CG1 3.95Å; I272-V350 HydrophobicContact CD1-CB 4.33Å; I272-V350 HydrophobicContact CD1-CG1 3.87Å; I272-V350 HydrophobicContact CD1-CG2 4.31Å; I272-V350 HydrophobicContact CG1-CG2 4.26Å; I272-V350 HydrophobicContact CG2-CG2 4Å; W346-V350 HydrophobicContact CD2-CG2 3.94Å; W346-V350 HydrophobicContact CE3-CG2 4.13Å; W346-V350 HydrophobicContact CH2-CG2 4.08Å; W346-V350 HydrophobicContact CZ2-CG2 3.88Å; W346-V350 HydrophobicContact CZ3-CG2 4.2Å; W346-V350 VanDerWaalsContact O-CG2 3.31Å; W346-V350 WeakPolarHBondContact O-CG2 3.33Å; W346-V350 PolarHBondContact O-N 3.23Å; H347-V350 PolarHBondContact O-N 2.85Å; Q348-V350 PolarHBondContact O-N 3Å; V350-L353 PolarHBondContact O-N 3.34Å; V350-Q354 WeakPolarHBondContact O-CB 3.39Å; V350-Q354 WeakPolarHBondContact O-CG 3.45Å; V350-Q354 PolarHBondContact O-N 3.03Å |
| 351 | A | 95.2 | Very high | 90.3 | Very high | 33 Ų | 33 | 65.2 Ų | 65.2 | 27% | 0.273 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -67.4 | -35 | 178.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | H347 Q348 L349 R355 | H347-A351 VanDerWaalsContact O-CB 3.32Å; H347-A351 WeakPolarHBondContact O-CB 3.39Å; H347-A351 PolarHBondContact O-N 3.29Å; Q348-A351 PolarHBondContact O-N 3.23Å; Q348-A351 VanDerWaalsContact O-N 3.17Å; L349-A351 VanDerWaalsContact C-N 3.34Å; L349-A351 PolarHBondContact O-N 2.9Å; A351-R355 WeakPolarHBondContact O-CB 3.4Å; A351-R355 WeakPolarHBondContact O-CG 3.33Å; A351-R355 PolarHBondContact O-N 3.44Å; A351-R355 PolarHBondContact O-NE 2.79Å |
| 352 | D | 94.6 | Very high | 89.8 | Confident | 60 Ų | 60 | 66 Ų | 66 | 32% | 0.321 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -62.6 | -50 | 172.8 | -72.9 | -45.1 | 0 | 0 | 0 | 110.6 | Q348 L349 Q354 R355 E356 | Q348-D352 PolarHBondContact NE2-OD1 3.11Å; Q348-D352 PolarHBondContact NE2-OD2 2.83Å; Q348-D352 VanDerWaalsContact O-CG 3.32Å; Q348-D352 PolarHBondContact O-N 2.79Å; L349-D352 PolarHBondContact O-N 2.58Å; D352-Q354 PolarHBondContact O-N 3.19Å; D352-R355 PolarHBondContact O-N 2.93Å; D352-R355 VanDerWaalsContact O-N 3.16Å; D352-R355 IonicContact OD1-CZ 3.67Å; D352-R355 IonicContact OD1-NH1 2.63Å; D352-R355 PolarHBondContact OD1-NH1 3.2Å; D352-R355 IonicContact OD1-NH2 3.09Å; D352-R355 PolarHBondContact OD1-NH2 3.05Å; D352-E356 WeakPolarHBondContact O-CB 3.14Å; D352-E356 PolarHBondContact O-N 3.46Å |
| 353 | L | 91.3 | Very high | 89.6 | Confident | 18 Ų | 18 | 66.8 Ų | 66.8 | 9% | 0.094 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -63 | -38 | 177.7 | -72.3 | 170.7 | 0 | 0 | 0 | 112.9 | S268 I272 E275 L349 V350 E356 F357 | S268-L353 WeakPolarHBondContact CB-O 3.34Å; I272-L353 HydrophobicContact CB-CD1 4.5Å; I272-L353 HydrophobicContact CD1-CB 4.48Å; I272-L353 HydrophobicContact CG1-CB 4.11Å; I272-L353 HydrophobicContact CG1-CD1 3.6Å; E275-L353 HydrophobicContact CG-CD1 4.44Å; L349-L353 HydrophobicContact CD1-CD1 4.25Å; L349-L353 HydrophobicContact CD1-CG 4.25Å; L349-L353 HydrophobicContact CG-CD1 4.24Å; L349-L353 WeakPolarHBondContact O-CG 3.21Å; L349-L353 PolarHBondContact O-N 3.43Å; V350-L353 PolarHBondContact O-N 3.34Å; L353-E356 PolarHBondContact O-N 2.97Å; L353-F357 HydrophobicContact CD2-CD2 4.3Å; L353-F357 HydrophobicContact CD2-CE2 3.99Å; L353-F357 WeakPolarHBondContact O-CD2 3.47Å; L353-F357 PolarHBondContact O-N 3.12Å |
| 354 | Q | 91.6 | Very high | 89.3 | Confident | 68 Ų | 68 | 67.5 Ų | 67.5 | 32% | 0.318 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -67.4 | -35.1 | 175 | -75 | 177.1 | -32.8 | 0 | 0 | 112.5 | I272 V350 D352 F357 | I272-Q354 HydrophobicContact CD1-CG 4.23Å; V350-Q354 WeakPolarHBondContact O-CB 3.39Å; V350-Q354 WeakPolarHBondContact O-CG 3.45Å; V350-Q354 PolarHBondContact O-N 3.03Å; D352-Q354 PolarHBondContact O-N 3.19Å; Q354-F357 CarbonylContact O-C 3.39Å |
| 355 | R | 90.3 | Very high | 89.1 | Confident | 156 Ų | 156 | 70.1 Ų | 70.1 | 59% | 0.589 | 37% | 0.37 | S | S | * | . | H | α-helix | trans | -71.1 | -38.2 | 173.4 | -82.7 | -176.9 | -83.7 | 120 | -5.6 | 112.4 | Q348 A351 D352 | Q348-R355 VanDerWaalsContact NE2-NH2 3.12Å; A351-R355 WeakPolarHBondContact O-CB 3.4Å; A351-R355 WeakPolarHBondContact O-CG 3.33Å; A351-R355 PolarHBondContact O-N 3.44Å; A351-R355 PolarHBondContact O-NE 2.79Å; D352-R355 PolarHBondContact O-N 2.93Å; D352-R355 VanDerWaalsContact O-N 3.16Å; D352-R355 IonicContact OD1-CZ 3.67Å; D352-R355 IonicContact OD1-NH1 2.63Å; D352-R355 PolarHBondContact OD1-NH1 3.2Å; D352-R355 IonicContact OD1-NH2 3.09Å; D352-R355 PolarHBondContact OD1-NH2 3.05Å |
| 356 | E | 85.8 | Confident | 89 | Confident | 127 Ų | 127 | 64.7 Ų | 64.7 | 59% | 0.593 | 35% | 0.347 | S | S | * | . | H | α-helix | trans | -70.6 | -41 | 178.4 | -171.2 | -178.9 | 172 | 0 | 0 | 112 | D352 L353 P358 | D352-E356 WeakPolarHBondContact O-CB 3.14Å; D352-E356 PolarHBondContact O-N 3.46Å; L353-E356 PolarHBondContact O-N 2.97Å; E356-P358 VanDerWaalsContact C-CD 3.41Å; E356-P358 VanDerWaalsContact O-CD 3.24Å; E356-P358 WeakPolarHBondContact O-CD 3.26Å |
| 357 | F | 84.1 | Confident | 88.8 | Confident | 29 Ų | 29 | 65.3 Ų | 65.3 | 13% | 0.127 | 35% | 0.352 | C | S | . | . | S | Bend | trans | -119.9 | 69.2 | -178.1 | -52.1 | -68.3 | 0 | 0 | 0 | 111.8 | R267 Y271 L353 Q354 | R267-F357 HydrophobicContact CB-CB 4.17Å; R267-F357 HydrophobicContact CG-CB 4.13Å; R267-F357 HydrophobicContact CG-CD1 4.26Å; R267-F357 HydrophobicContact CG-CG 4.2Å; Y271-F357 AromaticContact CD2-CD2 3.57Å; Y271-F357 HydrophobicContact CD2-CD2 3.57Å; Y271-F357 AromaticContact CD2-CE2 3.55Å; Y271-F357 HydrophobicContact CD2-CE2 3.55Å; Y271-F357 HydrophobicContact CD2-CG 4.13Å; Y271-F357 HydrophobicContact CD2-CZ 4.09Å; Y271-F357 HydrophobicContact CE2-CD1 4.18Å; Y271-F357 AromaticContact CE2-CD2 3.9Å; Y271-F357 HydrophobicContact CE2-CD2 3.9Å; Y271-F357 AromaticContact CE2-CE1 3.96Å; Y271-F357 HydrophobicContact CE2-CE1 3.96Å; Y271-F357 AromaticContact CE2-CE2 3.67Å; Y271-F357 HydrophobicContact CE2-CE2 3.67Å; Y271-F357 HydrophobicContact CE2-CG 4.14Å; Y271-F357 AromaticContact CE2-CZ 3.7Å; Y271-F357 HydrophobicContact CE2-CZ 3.7Å; Y271-F357 HydrophobicContact CG-CE2 4.28Å; L353-F357 HydrophobicContact CD2-CD2 4.3Å; L353-F357 HydrophobicContact CD2-CE2 3.99Å; L353-F357 WeakPolarHBondContact O-CD2 3.47Å; L353-F357 PolarHBondContact O-N 3.12Å; Q354-F357 CarbonylContact O-C 3.39Å |
| 358 | P | 80.6 | Confident | 88.8 | Confident | 85 Ų | 85 | 66 Ų | 66 | 55% | 0.552 | 36% | 0.357 | S | S | * | . | trans | -63 | 154.7 | 175.1 | 29 | -35 | 0 | 0 | 0 | 110.4 | E356 P360 | E356-P358 VanDerWaalsContact C-CD 3.41Å; E356-P358 VanDerWaalsContact O-CD 3.24Å; E356-P358 WeakPolarHBondContact O-CD 3.26Å; P358-P360 WeakPolarHBondContact O-CD 3.15Å | ||
| 359 | C | 74.8 | Confident | 88.7 | Confident | 44 Ų | 44 | 61.4 Ų | 61.4 | 30% | 0.297 | 34% | 0.336 | S | S | . | . | trans | -85.4 | 103.1 | 170.2 | -171.1 | 0 | 0 | 0 | 0 | 108.5 | V266 I361 | V266-C359 HydrophobicContact CG1-CB 3.96Å; V266-C359 HydrophobicContact CG2-CB 4.26Å; C359-I361 PolarHBondContact O-N 3.01Å | ||
| 360 | P | 70.8 | Confident | 88.6 | Confident | 65 Ų | 65 | 58.8 Ų | 58.8 | 42% | 0.422 | 32% | 0.322 | S | S | . | . | trans | -70.3 | 129.6 | -179.9 | 30 | -34 | 0 | 0 | 0 | 109.7 | P358 P362 | P358-P360 WeakPolarHBondContact O-CD 3.15Å; P360-P362 WeakPolarHBondContact O-CD 3.34Å | ||
| 361 | I | 83.5 | Confident | 88.6 | Confident | 53 Ų | 53 | 58.7 Ų | 58.7 | 27% | 0.272 | 32% | 0.321 | S | S | . | . | trans | -111.8 | 84.6 | 169.1 | -56.2 | -176 | 0 | 0 | 0 | 106.4 | C359 A364 Y371 | C359-I361 PolarHBondContact O-N 3.01Å; I361-A364 HydrophobicContact CB-CB 4.18Å; I361-A364 HydrophobicContact CG2-CB 3.7Å; I361-A364 WeakPolarHBondContact O-CB 3.48Å; I361-A364 PolarHBondContact O-N 3.34Å; I361-Y371 HydrophobicContact CG2-CD1 4.13Å; I361-Y371 HydrophobicContact CG2-CD2 4.19Å; I361-Y371 HydrophobicContact CG2-CG 3.68Å | ||
| 362 | P | 79.8 | Confident | 88.6 | Confident | 53 Ų | 53 | 57.1 Ų | 57.1 | 34% | 0.344 | 31% | 0.308 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -59.9 | 143.1 | -178.6 | 24.7 | -34 | 0 | 0 | 0 | 110.6 | P360 A364 Y371 | P360-P362 WeakPolarHBondContact O-CD 3.34Å; P362-A364 PolarHBondContact O-N 3.46Å; P362-A364 VanDerWaalsContact O-N 3.09Å; P362-Y371 HydrophobicContact CG-CD2 3.77Å; P362-Y371 HydrophobicContact CG-CE2 3.91Å |
| 363 | K | 87.9 | Confident | 88.8 | Confident | 121 Ų | 121 | 54.3 Ų | 54.3 | 53% | 0.526 | 29% | 0.293 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 52 | 32.7 | 178.1 | -55.8 | 174.3 | -174.1 | 161.2 | 0 | 113.4 | C365 D366 S369 E544 | K363-C365 PolarHBondContact O-N 2.98Å; K363-D366 HydrophobicContact CB-CB 4.09Å; K363-D366 WeakPolarHBondContact O-CB 3.32Å; K363-D366 PolarHBondContact O-N 3.34Å; K363-S369 WeakPolarHBondContact CB-OG 3.14Å; K363-S369 PolarHBondContact O-OG 2.97Å; K363-E544 IonicContact NZ-OE1 3.53Å; K363-E544 PolarHBondContact NZ-OE1 3.37Å |
| 364 | A | 88.6 | Confident | 89.1 | Confident | 34 Ų | 34 | 53.4 Ų | 53.4 | 28% | 0.281 | 29% | 0.289 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -53.8 | -18.9 | -174.9 | 0 | 0 | 0 | 0 | 0 | 116.4 | I361 P362 G372 N375 | I361-A364 HydrophobicContact CB-CB 4.18Å; I361-A364 HydrophobicContact CG2-CB 3.7Å; I361-A364 WeakPolarHBondContact O-CB 3.48Å; I361-A364 PolarHBondContact O-N 3.34Å; P362-A364 PolarHBondContact O-N 3.46Å; P362-A364 VanDerWaalsContact O-N 3.09Å; A364-G372 WeakPolarHBondContact O-CA 3.43Å; A364-N375 PolarHBondContact O-ND2 2.93Å |
| 365 | C | 91.4 | Very high | 89.4 | Confident | 129 Ų | 129 | 52.3 Ų | 52.3 | 87% | 0.872 | 29% | 0.285 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -104.3 | -1.1 | 179.2 | -58.1 | 0 | 0 | 0 | 0 | 113.6 | K363 P367 | K363-C365 PolarHBondContact O-N 2.98Å; C365-P367 WeakPolarHBondContact O-CD 3.29Å |
| 366 | D | 94 | Very high | 89.7 | Confident | 66 Ų | 66 | 45.2 Ų | 45.2 | 35% | 0.353 | 26% | 0.26 | S | S | . | . | trans | -95 | 107.4 | 178.3 | 176.5 | 5.2 | 0 | 0 | 0 | 109.6 | K363 L368 S369 G372 | K363-D366 HydrophobicContact CB-CB 4.09Å; K363-D366 WeakPolarHBondContact O-CB 3.32Å; K363-D366 PolarHBondContact O-N 3.34Å; D366-L368 PolarHBondContact O-N 3.36Å; D366-L368 PolarHBondContact OD1-N 3.19Å; D366-S369 PolarHBondContact O-N 3.5Å; D366-S369 PolarHBondContact O-OG 3.48Å; D366-G372 CarbonylContact O-C 3.57Å; D366-G372 WeakPolarHBondContact O-CA 3.48Å | ||
| 367 | P | 94.8 | Very high | 90.3 | Very high | 20 Ų | 20 | 39.2 Ų | 39.2 | 13% | 0.13 | 23% | 0.231 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -65.7 | -8.8 | -177.1 | 29.8 | -36.7 | 0 | 0 | 0 | 113.6 | C365 L373 A376 P520 | C365-P367 WeakPolarHBondContact O-CD 3.29Å; P367-L373 WeakPolarHBondContact O-CA 3.2Å; P367-L373 WeakPolarHBondContact O-CB 3.41Å; P367-A376 HydrophobicContact CB-CB 3.88Å; P367-P520 HydrophobicContact CB-CB 4.36Å; P367-P520 HydrophobicContact CG-CB 3.85Å |
| 368 | L | 95.9 | Very high | 90.9 | Very high | 56 Ų | 56 | 38.6 Ų | 38.6 | 29% | 0.293 | 23% | 0.232 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -97.8 | -4.7 | 175.2 | -56.8 | -179.2 | 0 | 0 | 0 | 113.1 | D366 L514 P520 V538 | D366-L368 PolarHBondContact O-N 3.36Å; D366-L368 PolarHBondContact OD1-N 3.19Å; L368-L514 HydrophobicContact CD2-CB 3.9Å; L368-P520 HydrophobicContact CD1-CG 4.31Å; L368-P520 HydrophobicContact CD2-CB 4.07Å; L368-P520 HydrophobicContact CD2-CG 4.16Å; L368-P520 HydrophobicContact CG-CB 4.49Å; L368-P520 HydrophobicContact CG-CG 4.29Å; L368-V538 HydrophobicContact CD2-CG1 4.23Å |
| 369 | S | 95 | Very high | 91.7 | Very high | 6 Ų | 6 | 38 Ų | 38 | 4% | 0.042 | 23% | 0.234 | C | C | . | . | S | Bend | trans | -89 | 155.8 | 173 | 75.5 | 0 | 0 | 0 | 0 | 111.6 | K363 D366 Y371 G372 L373 | K363-S369 WeakPolarHBondContact CB-OG 3.14Å; K363-S369 PolarHBondContact O-OG 2.97Å; D366-S369 PolarHBondContact O-N 3.5Å; D366-S369 PolarHBondContact O-OG 3.48Å; S369-Y371 PolarHBondContact O-N 3.42Å; S369-G372 PolarHBondContact O-N 2.89Å; S369-G372 WeakPolarHBondContact OG-CA 3.24Å; S369-G372 PolarHBondContact OG-N 2.86Å; S369-L373 WeakPolarHBondContact O-CB 3.47Å; S369-L373 PolarHBondContact O-N 3.23Å |
| 370 | H | 94.5 | Very high | 92.8 | Very high | 3 Ų | 3 | 36.3 Ų | 36.3 | 1% | 0.014 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -56.9 | -45.6 | -176.3 | 53 | -77.9 | 0 | 0 | 0 | 113.1 | I374 W397 M469 I540 E544 | H370-I374 VanDerWaalsContact O-CD1 3.24Å; H370-I374 WeakPolarHBondContact O-CD1 3.42Å; H370-I374 WeakPolarHBondContact O-CG1 3.09Å; H370-W397 HydrophobicContact CB-CD2 3.97Å; H370-W397 HydrophobicContact CB-CE3 3.75Å; H370-W397 HydrophobicContact CB-CH2 4.3Å; H370-W397 HydrophobicContact CB-CZ2 4.45Å; H370-W397 HydrophobicContact CB-CZ3 3.95Å; H370-W397 AromaticContact CD2-CD1 3.79Å; H370-W397 AromaticContact CD2-CD2 3.81Å; H370-W397 AromaticContact CD2-CE2 3.6Å; H370-W397 AromaticContact CD2-CG 3.94Å; H370-W397 AromaticContact CD2-NE1 3.54Å; H370-M469 HydrophobicContact CB-CE 3.65Å; H370-M469 VanDerWaalsContact O-CE 3.25Å; H370-M469 WeakPolarHBondContact O-CE 3.49Å; H370-I540 HydrophobicContact CB-CD1 4.14Å; H370-I540 HydrophobicContact CB-CG2 3.91Å; H370-E544 IonicContact CE1-OE1 2.88Å; H370-E544 IonicContact CE1-OE2 3.27Å; H370-E544 PolarHBondContact CE1-OE2 3.33Å; H370-E544 WeakPolarHBondContact ND1-CG 3.43Å; H370-E544 IonicContact ND1-OE1 3.42Å; H370-E544 IonicContact ND1-OE2 2.66Å; H370-E544 IonicContact NE2-OE2 2.82Å |
| 371 | Y | 95.6 | Very high | 94.1 | Very high | 6 Ų | 6 | 34.4 Ų | 34.4 | 2% | 0.024 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -81.2 | -38.5 | 175.2 | -71.7 | -64 | 0 | 0 | 0 | 114.1 | I361 P362 S369 L373 I374 N375 W397 Q400 A401 Y547 | I361-Y371 HydrophobicContact CG2-CD1 4.13Å; I361-Y371 HydrophobicContact CG2-CD2 4.19Å; I361-Y371 HydrophobicContact CG2-CG 3.68Å; P362-Y371 HydrophobicContact CG-CD2 3.77Å; P362-Y371 HydrophobicContact CG-CE2 3.91Å; S369-Y371 PolarHBondContact O-N 3.42Å; Y371-L373 VanDerWaalsContact C-N 3.3Å; Y371-L373 PolarHBondContact O-N 3.29Å; Y371-I374 PolarHBondContact O-N 3.43Å; Y371-N375 PolarHBondContact O-N 3.34Å; Y371-N375 VanDerWaalsContact O-N 3.12Å; Y371-W397 HydrophobicContact CD1-CB 4.13Å; Y371-W397 HydrophobicContact CE1-CB 3.91Å; Y371-W397 AromaticContact CE1-CD1 3.66Å; Y371-W397 HydrophobicContact CE1-CG 4.11Å; Y371-W397 AromaticContact CZ-CD1 3.43Å; Y371-W397 VanDerWaalsContact CZ-CD1 3.43Å; Y371-Q400 HydrophobicContact CE1-CB 4.15Å; Y371-Q400 PolarHBondContact OH-OE1 2.96Å; Y371-A401 HydrophobicContact CD1-CB 3.6Å; Y371-A401 HydrophobicContact CE1-CB 4.27Å; Y371-Y547 PolarHBondContact OH-O 3.27Å |
| 372 | G | 96.5 | Very high | 94.6 | Very high | 1 Ų | 1 | 36.1 Ų | 36.1 | 1% | 0.01 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -66.7 | -33.3 | -178.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | A364 D366 S369 I374 N375 A376 | A364-G372 WeakPolarHBondContact O-CA 3.43Å; D366-G372 CarbonylContact O-C 3.57Å; D366-G372 WeakPolarHBondContact O-CA 3.48Å; S369-G372 PolarHBondContact O-N 2.89Å; S369-G372 WeakPolarHBondContact OG-CA 3.24Å; S369-G372 PolarHBondContact OG-N 2.86Å; G372-I374 PolarHBondContact O-N 2.96Å; G372-N375 PolarHBondContact O-N 3.35Å; G372-A376 VanDerWaalsContact O-CB 3.23Å; G372-A376 WeakPolarHBondContact O-CB 3.43Å; G372-A376 PolarHBondContact O-N 2.87Å |
| 373 | L | 98.1 | Very high | 95.3 | Very high | 0 Ų | 0 | 36.8 Ų | 36.8 | 0% | 0 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -56.4 | -47.8 | 168.7 | 176.1 | 59.2 | 0 | 0 | 0 | 111.9 | P367 S369 Y371 N375 A376 V377 I467 M469 L514 V538 | P367-L373 WeakPolarHBondContact O-CA 3.2Å; P367-L373 WeakPolarHBondContact O-CB 3.41Å; S369-L373 WeakPolarHBondContact O-CB 3.47Å; S369-L373 PolarHBondContact O-N 3.23Å; Y371-L373 VanDerWaalsContact C-N 3.3Å; Y371-L373 PolarHBondContact O-N 3.29Å; L373-N375 VanDerWaalsContact C-N 3.33Å; L373-N375 PolarHBondContact O-N 3.22Å; L373-A376 PolarHBondContact O-N 3.46Å; L373-V377 HydrophobicContact CD1-CG2 3.97Å; L373-V377 HydrophobicContact CG-CG2 4.4Å; L373-V377 WeakPolarHBondContact O-CB 3.37Å; L373-V377 WeakPolarHBondContact O-CG2 3.41Å; L373-V377 PolarHBondContact O-N 3.38Å; L373-I467 HydrophobicContact CD1-CG2 4.26Å; L373-I467 HydrophobicContact CD2-CG2 3.68Å; L373-I467 HydrophobicContact CG-CG2 4.04Å; L373-M469 HydrophobicContact CD2-CE 4.46Å; L373-M469 HydrophobicContact CD2-CG 3.93Å; L373-L514 HydrophobicContact CD1-CD1 3.91Å; L373-V538 HydrophobicContact CD1-CG2 3.78Å; L373-V538 HydrophobicContact CD2-CB 3.8Å; L373-V538 HydrophobicContact CD2-CG1 4.12Å; L373-V538 HydrophobicContact CD2-CG2 3.59Å; L373-V538 HydrophobicContact CG-CG2 4.31Å |
| 374 | I | 98 | Very high | 95.7 | Very high | 0 Ų | 0 | 34.9 Ų | 34.9 | 0% | 0 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -61.3 | -43.9 | -179.8 | -65.8 | 158.2 | 0 | 0 | 0 | 110.7 | H370 Y371 G372 A378 W397 T398 A401 Y402 F441 M469 | H370-I374 VanDerWaalsContact O-CD1 3.24Å; H370-I374 WeakPolarHBondContact O-CD1 3.42Å; H370-I374 WeakPolarHBondContact O-CG1 3.09Å; Y371-I374 PolarHBondContact O-N 3.43Å; G372-I374 PolarHBondContact O-N 2.96Å; I374-A378 WeakPolarHBondContact O-CB 3.21Å; I374-A378 PolarHBondContact O-N 3.42Å; I374-W397 VanDerWaalsContact CD1-C 3.41Å; I374-W397 HydrophobicContact CD1-CB 3.64Å; I374-T398 HydrophobicContact CG2-CG2 4.38Å; I374-A401 HydrophobicContact CB-CB 4.26Å; I374-A401 HydrophobicContact CD1-CB 4.42Å; I374-A401 HydrophobicContact CG2-CB 3.9Å; I374-Y402 HydrophobicContact CG2-CD2 3.99Å; I374-Y402 HydrophobicContact CG2-CG 4.4Å; I374-F441 HydrophobicContact CB-CE1 4.31Å; I374-F441 HydrophobicContact CG1-CD1 4.14Å; I374-F441 HydrophobicContact CG1-CE1 3.78Å; I374-F441 HydrophobicContact CG1-CZ 4.47Å; I374-F441 HydrophobicContact CG2-CZ 4.44Å; I374-M469 HydrophobicContact CD1-CE 4.41Å |
| 375 | N | 96.7 | Very high | 96.1 | Very high | 45 Ų | 45 | 33.3 Ų | 33.3 | 24% | 0.241 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -65.5 | -42.3 | 176.5 | -67.9 | -22.8 | 0 | 0 | 0 | 112.1 | A364 Y371 G372 L373 A378 A379 | A364-N375 PolarHBondContact O-ND2 2.93Å; Y371-N375 PolarHBondContact O-N 3.34Å; Y371-N375 VanDerWaalsContact O-N 3.12Å; G372-N375 PolarHBondContact O-N 3.35Å; L373-N375 VanDerWaalsContact C-N 3.33Å; L373-N375 PolarHBondContact O-N 3.22Å; N375-A378 PolarHBondContact O-N 2.86Å; N375-A379 PolarHBondContact O-N 2.73Å |
| 376 | A | 97.6 | Very high | 96.5 | Very high | 7 Ų | 7 | 27.1 Ų | 27.1 | 6% | 0.058 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -61.7 | -43.4 | 177.9 | 0 | 0 | 0 | 0 | 0 | 111.6 | P367 G372 L373 A379 C380 L524 | P367-A376 HydrophobicContact CB-CB 3.88Å; G372-A376 VanDerWaalsContact O-CB 3.23Å; G372-A376 WeakPolarHBondContact O-CB 3.43Å; G372-A376 PolarHBondContact O-N 2.87Å; L373-A376 PolarHBondContact O-N 3.46Å; A376-A379 PolarHBondContact O-N 2.7Å; A376-C380 PolarHBondContact O-N 3.31Å; A376-C380 PolarHBondContact O-SG 3.39Å; A376-L524 HydrophobicContact CB-CD2 3.63Å |
| 377 | V | 98.3 | Very high | 96.7 | Very high | 0 Ų | 0 | 24 Ų | 24 | 0% | 0 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -63.8 | -46.2 | 174.7 | 172 | 0 | 0 | 0 | 0 | 110.6 | L373 A379 C380 L439 F441 I467 L524 I528 | L373-V377 HydrophobicContact CD1-CG2 3.97Å; L373-V377 HydrophobicContact CG-CG2 4.4Å; L373-V377 WeakPolarHBondContact O-CB 3.37Å; L373-V377 WeakPolarHBondContact O-CG2 3.41Å; L373-V377 PolarHBondContact O-N 3.38Å; V377-A379 PolarHBondContact O-N 2.96Å; V377-C380 WeakPolarHBondContact O-CB 3.48Å; V377-C380 PolarHBondContact O-N 3.23Å; V377-L439 HydrophobicContact CG1-CD1 3.55Å; V377-L439 HydrophobicContact CG1-CD2 4.4Å; V377-L439 HydrophobicContact CG1-CG 4.46Å; V377-F441 HydrophobicContact CB-CE1 4.24Å; V377-F441 HydrophobicContact CB-CZ 3.81Å; V377-F441 HydrophobicContact CG1-CE1 4.29Å; V377-F441 HydrophobicContact CG1-CE2 4.24Å; V377-F441 HydrophobicContact CG1-CZ 3.53Å; V377-F441 HydrophobicContact CG2-CE1 4.12Å; V377-F441 HydrophobicContact CG2-CZ 4.16Å; V377-I467 HydrophobicContact CG1-CD1 4.19Å; V377-I467 HydrophobicContact CG1-CG1 4.35Å; V377-I467 HydrophobicContact CG2-CG1 3.92Å; V377-I467 HydrophobicContact CG2-CG2 4.4Å; V377-L524 HydrophobicContact CG2-CD1 4.01Å; V377-L524 HydrophobicContact CG2-CD2 3.86Å; V377-L524 HydrophobicContact CG2-CG 4.44Å; V377-I528 HydrophobicContact CG1-CD1 4.09Å |
| 378 | A | 97.5 | Very high | 96.9 | Very high | 16 Ų | 16 | 23 Ų | 23 | 13% | 0.132 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -59.6 | -34.1 | 178.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | I374 N375 C380 Y402 P403 | I374-A378 WeakPolarHBondContact O-CB 3.21Å; I374-A378 PolarHBondContact O-N 3.42Å; N375-A378 PolarHBondContact O-N 2.86Å; A378-C380 VanDerWaalsContact C-N 3.26Å; A378-C380 PolarHBondContact O-N 3.11Å; A378-Y402 HydrophobicContact CB-CD2 3.94Å; A378-Y402 HydrophobicContact CB-CE2 3.57Å; A378-P403 HydrophobicContact CB-CG 3.97Å |
| 379 | A | 96.8 | Very high | 97 | Very high | 72 Ų | 72 | 20.4 Ų | 20.4 | 60% | 0.595 | 12% | 0.124 | S | C | * | . | H | α-helix | trans | -71.9 | -16.6 | 176.2 | 0 | 0 | 0 | 0 | 0 | 113.9 | N375 A376 V377 | N375-A379 PolarHBondContact O-N 2.73Å; A376-A379 PolarHBondContact O-N 2.7Å; V377-A379 PolarHBondContact O-N 2.96Å |
| 380 | C | 97.4 | Very high | 97.2 | Very high | 9 Ų | 9 | 20.1 Ų | 20.1 | 6% | 0.061 | 12% | 0.122 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -86.5 | -10.6 | -178.5 | -64.9 | 0 | 0 | 0 | 0 | 114 | A376 V377 A378 Q525 I528 | A376-C380 PolarHBondContact O-N 3.31Å; A376-C380 PolarHBondContact O-SG 3.39Å; V377-C380 WeakPolarHBondContact O-CB 3.48Å; V377-C380 PolarHBondContact O-N 3.23Å; A378-C380 VanDerWaalsContact C-N 3.26Å; A378-C380 PolarHBondContact O-N 3.11Å; C380-Q525 PolarHBondContact O-NE2 2.81Å; C380-Q525 VanDerWaalsContact O-NE2 3.13Å; C380-I528 HydrophobicContact CB-CB 4.36Å; C380-I528 HydrophobicContact CB-CD1 3.65Å; C380-I528 HydrophobicContact CB-CG2 4.14Å |
| 381 | V | 97.1 | Very high | 97.4 | Very high | 26 Ų | 26 | 21 Ų | 21 | 16% | 0.158 | 13% | 0.128 | C | C | . | . | S | Bend | trans | -129.9 | 164.6 | -175.5 | -62.5 | 0 | 0 | 0 | 0 | 111.3 | A385 Y402 K437 L439 I528 | V381-A385 HydrophobicContact CB-CB 3.99Å; V381-A385 HydrophobicContact CG2-CB 3.66Å; V381-Y402 WeakPolarHBondContact CG2-OH 3.37Å; V381-K437 HydrophobicContact CG1-CB 4.29Å; V381-K437 HydrophobicContact CG1-CG 4.38Å; V381-L439 HydrophobicContact CG1-CD1 4.19Å; V381-L439 HydrophobicContact CG1-CD2 4.33Å; V381-L439 HydrophobicContact CG2-CD1 3.83Å; V381-I528 HydrophobicContact CG1-CG2 3.59Å |
| 382 | D | 95.4 | Very high | 97.5 | Very high | 89 Ų | 89 | 21.2 Ų | 21.2 | 48% | 0.476 | 13% | 0.131 | S | C | . | . | trans | -84.4 | 175.1 | 170.6 | 71.1 | 3.2 | 0 | 0 | 0 | 111.9 | N384 A385 | D382-N384 PolarHBondContact O-N 3.31Å; D382-N384 VanDerWaalsContact O-N 3.12Å; D382-N384 WeakPolarHBondContact OD1-CA 3.32Å; D382-N384 VanDerWaalsContact OD1-CB 3.25Å; D382-N384 WeakPolarHBondContact OD1-CB 3.33Å; D382-N384 PolarHBondContact OD1-N 2.98Å; D382-N384 PolarHBondContact OD2-ND2 3.17Å; D382-A385 PolarHBondContact O-N 3.2Å; D382-A385 PolarHBondContact OD1-N 2.94Å | ||
| 383 | D | 94.7 | Very high | 97.5 | Very high | 67 Ų | 67 | 21.3 Ų | 21.3 | 36% | 0.358 | 13% | 0.131 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -68 | -8.1 | 177.7 | -164.2 | 58.5 | 0 | 0 | 0 | 113.2 | A385 N405 R406 Q409 | D383-A385 VanDerWaalsContact C-N 3.28Å; D383-A385 PolarHBondContact O-N 2.94Å; D383-N405 WeakPolarHBondContact OD1-CB 3.45Å; D383-N405 PolarHBondContact OD1-ND2 2.83Å; D383-R406 PolarHBondContact O-NE 3.28Å; D383-Q409 PolarHBondContact O-NE2 3.48Å; D383-Q409 VanDerWaalsContact O-NE2 3.09Å; D383-Q409 PolarHBondContact OD1-NE2 3.31Å |
| 384 | N | 95.8 | Very high | 97.5 | Very high | 81 Ų | 81 | 21.8 Ų | 21.8 | 43% | 0.433 | 13% | 0.133 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -78 | -13.8 | 175.6 | -61.3 | -53 | 0 | 0 | 0 | 112.5 | D382 R406 R436 | D382-N384 PolarHBondContact O-N 3.31Å; D382-N384 VanDerWaalsContact O-N 3.12Å; D382-N384 WeakPolarHBondContact OD1-CA 3.32Å; D382-N384 VanDerWaalsContact OD1-CB 3.25Å; D382-N384 WeakPolarHBondContact OD1-CB 3.33Å; D382-N384 PolarHBondContact OD1-N 2.98Å; D382-N384 PolarHBondContact OD2-ND2 3.17Å; N384-R406 PolarHBondContact O-NH2 2.87Å; N384-R436 WeakPolarHBondContact O-CD 3.41Å |
| 385 | A | 97.8 | Very high | 97.5 | Very high | 0 Ų | 0 | 22.3 Ų | 22.3 | 0% | 0 | 14% | 0.136 | C | C | . | . | trans | -55.8 | 145.2 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.4 | V381 D382 D383 I387 R406 Q409 K437 L439 | V381-A385 HydrophobicContact CB-CB 3.99Å; V381-A385 HydrophobicContact CG2-CB 3.66Å; D382-A385 PolarHBondContact O-N 3.2Å; D382-A385 PolarHBondContact OD1-N 2.94Å; D383-A385 VanDerWaalsContact C-N 3.28Å; D383-A385 PolarHBondContact O-N 2.94Å; A385-I387 HydrophobicContact CB-CD1 4Å; A385-R406 PolarHBondContact O-NH2 3.09Å; A385-Q409 VanDerWaalsContact O-CG 3.29Å; A385-Q409 WeakPolarHBondContact O-CG 3.14Å; A385-K437 CarbonylContact C-O 3.56Å; A385-K437 VanDerWaalsContact CA-O 3.26Å; A385-K437 WeakPolarHBondContact CA-O 3.35Å; A385-K437 HydrophobicContact CB-CB 4.33Å; A385-L439 HydrophobicContact CB-CD1 4.4Å | ||
| 386 | I | 98.5 | Very high | 97.6 | Very high | 0 Ų | 0 | 21.1 Ų | 21.1 | 0% | 0 | 13% | 0.129 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.6 | 130.9 | 173.7 | -62.5 | 167 | 0 | 0 | 0 | 108.5 | T73 L411 A429 N433 R436 K437 V438 L439 | T73-I386 HydrophobicContact CG2-CD1 3.92Å; T73-I386 HydrophobicContact CG2-CG2 4.43Å; I386-L411 HydrophobicContact CG2-CD1 3.74Å; I386-L411 HydrophobicContact CG2-CG 3.91Å; I386-A429 HydrophobicContact CD1-CB 4.3Å; I386-A429 HydrophobicContact CG2-CB 3.96Å; I386-N433 HydrophobicContact CD1-CB 3.87Å; I386-R436 HydrophobicContact CD1-CB 4.37Å; I386-K437 PolarHBondContact N-O 2.89Å; I386-V438 HydrophobicContact CB-CG2 4.37Å; I386-V438 WeakPolarHBondContact O-CA 3.33Å; I386-L439 PolarHBondContact O-N 3.1Å |
| 387 | I | 98.7 | Very high | 97.5 | Very high | 0 Ų | 0 | 20.9 Ų | 20.9 | 0% | 0 | 13% | 0.127 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.4 | 119.9 | -174.3 | -51.4 | -17.8 | 0 | 0 | 0 | 107.6 | A385 T398 Y402 L404 Q409 W410 L411 L439 F441 | A385-I387 HydrophobicContact CB-CD1 4Å; I387-T398 HydrophobicContact CG2-CG2 4.04Å; I387-Y402 HydrophobicContact CD1-CE1 3.87Å; I387-Y402 HydrophobicContact CD1-CE2 4.04Å; I387-Y402 HydrophobicContact CG1-CD1 3.85Å; I387-Y402 HydrophobicContact CG1-CD2 4.32Å; I387-Y402 HydrophobicContact CG1-CE1 3.53Å; I387-Y402 HydrophobicContact CG1-CE2 4.01Å; I387-Y402 HydrophobicContact CG1-CG 4.27Å; I387-L404 HydrophobicContact CB-CD2 4.45Å; I387-L404 HydrophobicContact CG1-CD2 4.17Å; I387-Q409 PolarHBondContact N-O 2.82Å; I387-W410 HydrophobicContact CB-CE3 4.33Å; I387-W410 HydrophobicContact CG2-CE3 4.03Å; I387-W410 HydrophobicContact CG2-CZ3 3.99Å; I387-L411 PolarHBondContact O-N 2.99Å; I387-L439 CarbonylContact C-O 3.59Å; I387-L439 WeakPolarHBondContact CA-O 3.44Å; I387-L439 HydrophobicContact CD1-CB 4.16Å; I387-L439 HydrophobicContact CD1-CD1 3.88Å; I387-L439 HydrophobicContact CD1-CG 4.27Å; I387-F441 HydrophobicContact CG2-CD2 3.84Å; I387-F441 HydrophobicContact CG2-CE2 4Å |
| 388 | T | 98.9 | Very high | 97.5 | Very high | 0 Ų | 0 | 20.9 Ų | 20.9 | 0% | 0 | 13% | 0.127 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.4 | 152 | 168.7 | 81.5 | 0 | 0 | 0 | 0 | 110.3 | L411 G422 A426 V438 L439 C440 F441 | T388-L411 WeakPolarHBondContact CA-O 3.16Å; T388-L411 HydrophobicContact CG2-CB 3.99Å; T388-L411 HydrophobicContact CG2-CD1 4.08Å; T388-L411 HydrophobicContact CG2-CG 4.36Å; T388-G422 PolarHBondContact OG1-O 3.03Å; T388-A426 HydrophobicContact CG2-CB 3.89Å; T388-A426 WeakPolarHBondContact OG1-CB 3.19Å; T388-V438 HydrophobicContact CG2-CG1 4.18Å; T388-L439 PolarHBondContact N-O 3.37Å; T388-C440 CarbonylContact O-C 3.5Å; T388-C440 WeakPolarHBondContact O-CA 3.46Å; T388-C440 WeakPolarHBondContact OG1-CA 3.27Å; T388-C440 WeakPolarHBondContact OG1-CB 3.11Å; T388-C440 PolarHBondContact OG1-SG 2.91Å; T388-F441 PolarHBondContact O-N 3.42Å |
| 389 | T | 98.9 | Very high | 97.5 | Very high | 0 Ų | 0 | 20.6 Ų | 20.6 | 0% | 0 | 12% | 0.124 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.8 | 150.2 | 173.3 | 63 | 0 | 0 | 0 | 0 | 111.3 | T398 W410 L411 T412 F421 G422 F441 | T389-T398 HydrophobicContact CG2-CG2 4.16Å; T389-W410 HydrophobicContact CG2-CE3 4.46Å; T389-W410 HydrophobicContact CG2-CH2 3.34Å; T389-W410 HydrophobicContact CG2-CZ2 4.25Å; T389-W410 HydrophobicContact CG2-CZ3 3.46Å; T389-W410 VanDerWaalsContact CG2-CZ3 3.46Å; T389-L411 PolarHBondContact N-O 3.43Å; T389-L411 VanDerWaalsContact N-O 3.14Å; T389-T412 VanDerWaalsContact OG1-CB 3.28Å; T389-T412 WeakPolarHBondContact OG1-CB 3.44Å; T389-T412 PolarHBondContact OG1-OG1 3.26Å; T389-F421 WeakPolarHBondContact O-CD1 3.29Å; T389-G422 WeakPolarHBondContact O-CA 3.29Å; T389-F441 VanDerWaalsContact CA-O 3.29Å; T389-F441 WeakPolarHBondContact CA-O 3.14Å; T389-F441 HydrophobicContact CG2-CB 4.19Å |
| 390 | D | 98.6 | Very high | 97.4 | Very high | 1 Ų | 1 | 18 Ų | 18 | 1% | 0.005 | 10% | 0.1 | C | C | . | . | trans | -75.1 | -158.3 | 156.4 | -88.7 | -54.2 | 0 | 0 | 0 | 110.7 | H394 Q395 G420 F421 G422 F441 S442 S446 | D390-H394 VanDerWaalsContact C-NE2 3.26Å; D390-H394 VanDerWaalsContact CB-NE2 3.27Å; D390-H394 WeakPolarHBondContact CB-NE2 3.24Å; D390-Q395 WeakPolarHBondContact O-CB 3.23Å; D390-Q395 WeakPolarHBondContact O-CG 3.43Å; D390-G420 WeakPolarHBondContact OD1-CA 3.37Å; D390-G420 PolarHBondContact OD1-N 3.28Å; D390-F421 PolarHBondContact OD1-N 3.09Å; D390-G422 PolarHBondContact OD1-N 3.16Å; D390-F441 PolarHBondContact N-O 2.9Å; D390-S442 WeakPolarHBondContact OD2-CB 3.08Å; D390-S442 PolarHBondContact OD2-OG 3.42Å; D390-S446 VanDerWaalsContact CG-CB 3.46Å | ||
| 391 | V | 98.5 | Very high | 97.3 | Very high | 22 Ų | 22 | 17.7 Ų | 17.7 | 13% | 0.133 | 10% | 0.098 | C | C | . | . | S | Bend | trans | -122.8 | 130.1 | -174.3 | 175.9 | 0 | 0 | 0 | 0 | 110.7 | H394 T418 M419 S446 | V391-H394 PolarHBondContact N-NE2 2.89Å; V391-H394 PolarHBondContact O-CE1 3.05Å; V391-H394 VanDerWaalsContact O-CE1 3.31Å; V391-T418 WeakPolarHBondContact CG2-O 3.48Å; V391-M419 HydrophobicContact CB-CG 4.15Å; V391-S446 PolarHBondContact O-OG 2.65Å; V391-S446 VanDerWaalsContact O-OG 3.14Å |
| 392 | G | 97.1 | Very high | 97.3 | Very high | 9 Ų | 9 | 16.7 Ų | 16.7 | 9% | 0.093 | 9% | 0.091 | C | C | . | . | S | Bend | trans | 148.2 | -155.4 | -179.3 | 0 | 0 | 0 | 0 | 0 | 112.6 | Q395 M396 | G392-Q395 WeakPolarHBondContact O-CB 3.47Å; G392-Q395 PolarHBondContact O-N 3.17Å; G392-M396 PolarHBondContact O-N 3.45Å |
| 393 | Q | 97.3 | Very high | 97.3 | Very high | 3 Ų | 3 | 14.7 Ų | 14.7 | 1% | 0.014 | 8% | 0.083 | C | C | . | . | H | α-helix | trans | -65.7 | -40.7 | 178.6 | -62.5 | 178.6 | -57.6 | 0 | 0 | 112.3 | Q395 M396 W397 N471 G475 L476 E544 V546 | Q393-Q395 PolarHBondContact O-N 3.12Å; Q393-M396 PolarHBondContact O-N 2.86Å; Q393-W397 HydrophobicContact CB-CD2 4.04Å; Q393-W397 HydrophobicContact CB-CE3 3.92Å; Q393-W397 HydrophobicContact CB-CH2 3.43Å; Q393-W397 VanDerWaalsContact CB-CH2 3.43Å; Q393-W397 HydrophobicContact CB-CZ2 3.59Å; Q393-W397 HydrophobicContact CB-CZ3 3.61Å; Q393-W397 HydrophobicContact CG-CH2 4.2Å; Q393-W397 HydrophobicContact CG-CZ2 4.2Å; Q393-W397 PolarHBondContact O-N 3.3Å; Q393-N471 PolarHBondContact OE1-ND2 2.93Å; Q393-G475 VanDerWaalsContact CD-O 3.27Å; Q393-G475 PolarHBondContact NE2-O 2.94Å; Q393-G475 PolarHBondContact OE1-O 3.17Å; Q393-L476 HydrophobicContact CG-CB 4.15Å; Q393-L476 HydrophobicContact CG-CD1 4.32Å; Q393-E544 PolarHBondContact NE2-O 2.97Å; Q393-V546 HydrophobicContact CB-CG2 3.58Å; Q393-V546 HydrophobicContact CG-CG2 3.68Å |
| 394 | H | 98.1 | Very high | 97.4 | Very high | 10 Ų | 10 | 11.9 Ų | 11.9 | 5% | 0.046 | 7% | 0.068 | C | C | . | . | H | α-helix | trans | -55.3 | -38.6 | 175.8 | 61.8 | -87 | 0 | 0 | 0 | 112.7 | D390 V391 W397 T398 F441 G443 M469 | D390-H394 VanDerWaalsContact C-NE2 3.26Å; D390-H394 VanDerWaalsContact CB-NE2 3.27Å; D390-H394 WeakPolarHBondContact CB-NE2 3.24Å; V391-H394 PolarHBondContact N-NE2 2.89Å; V391-H394 PolarHBondContact O-CE1 3.05Å; V391-H394 VanDerWaalsContact O-CE1 3.31Å; H394-W397 HydrophobicContact CB-CE3 4.44Å; H394-T398 VanDerWaalsContact O-CB 3.27Å; H394-T398 WeakPolarHBondContact O-CB 3.3Å; H394-T398 PolarHBondContact O-N 3.37Å; H394-T398 PolarHBondContact O-OG1 2.73Å; H394-F441 PolarHBondContact CD2-O 2.75Å; H394-G443 PolarHBondContact CE1-N 3.49Å; H394-G443 PolarHBondContact ND1-N 3.4Å; H394-G443 PolarHBondContact NE2-N 3.16Å; H394-M469 HydrophobicContact CB-CB 4.22Å; H394-M469 HydrophobicContact CB-CG 4.36Å; H394-M469 HydrophobicContact CB-SD 3.56Å; H394-M469 VanDerWaalsContact CB-SD 3.56Å |
| 395 | Q | 98.6 | Very high | 97.4 | Very high | 11 Ų | 11 | 10.1 Ų | 10.1 | 5% | 0.051 | 6% | 0.059 | C | C | . | . | H | α-helix | trans | -59.4 | -49.5 | 174.2 | -173.1 | -167.7 | 16.1 | 0 | 0 | 110.9 | D390 G392 Q393 T398 A399 W410 T412 S413 | D390-Q395 WeakPolarHBondContact O-CB 3.23Å; D390-Q395 WeakPolarHBondContact O-CG 3.43Å; G392-Q395 WeakPolarHBondContact O-CB 3.47Å; G392-Q395 PolarHBondContact O-N 3.17Å; Q393-Q395 PolarHBondContact O-N 3.12Å; Q395-T398 PolarHBondContact O-N 3.28Å; Q395-A399 WeakPolarHBondContact O-CB 3.5Å; Q395-A399 PolarHBondContact O-N 3.37Å; Q395-W410 HydrophobicContact CG-CZ2 4.45Å; Q395-T412 PolarHBondContact NE2-OG1 3.27Å; Q395-S413 PolarHBondContact NE2-O 3.39Å |
| 396 | M | 97.3 | Very high | 97.3 | Very high | 21 Ų | 21 | 11.8 Ų | 11.8 | 10% | 0.103 | 7% | 0.065 | C | C | . | . | H | α-helix | trans | -70.5 | -43.1 | -177.8 | -62 | -62.2 | 96.7 | 0 | 0 | 112 | L244 H264 G392 Q393 T398 A399 Q400 V546 | L244-M396 HydrophobicContact CD1-CE 4.05Å; L244-M396 HydrophobicContact CD2-CE 4.05Å; H264-M396 HydrophobicContact CB-CB 4.47Å; H264-M396 HydrophobicContact CB-CG 4.35Å; H264-M396 HydrophobicContact CB-SD 4.04Å; G392-M396 PolarHBondContact O-N 3.45Å; Q393-M396 PolarHBondContact O-N 2.86Å; M396-T398 VanDerWaalsContact C-N 3.29Å; M396-T398 PolarHBondContact O-N 2.92Å; M396-A399 PolarHBondContact O-N 3.15Å; M396-Q400 WeakPolarHBondContact O-CB 3.42Å; M396-Q400 WeakPolarHBondContact O-CG 3.45Å; M396-Q400 PolarHBondContact O-N 2.7Å; M396-V546 HydrophobicContact CB-CB 4.45Å; M396-V546 HydrophobicContact CB-CG1 3.59Å; M396-V546 HydrophobicContact CB-CG2 4Å; M396-V546 HydrophobicContact CG-CG1 4.31Å |
| 397 | W | 97.3 | Very high | 97.1 | Very high | 2 Ų | 2 | 13.5 Ų | 13.5 | 1% | 0.008 | 8% | 0.076 | C | C | . | . | H | α-helix | trans | -58.9 | -43.6 | 174.6 | -64.8 | -38.6 | 0 | 0 | 0 | 111 | H370 Y371 I374 Q393 H394 Q400 A401 M469 I540 E544 K545 V546 | H370-W397 HydrophobicContact CB-CD2 3.97Å; H370-W397 HydrophobicContact CB-CE3 3.75Å; H370-W397 HydrophobicContact CB-CH2 4.3Å; H370-W397 HydrophobicContact CB-CZ2 4.45Å; H370-W397 HydrophobicContact CB-CZ3 3.95Å; H370-W397 AromaticContact CD2-CD1 3.79Å; H370-W397 AromaticContact CD2-CD2 3.81Å; H370-W397 AromaticContact CD2-CE2 3.6Å; H370-W397 AromaticContact CD2-CG 3.94Å; H370-W397 AromaticContact CD2-NE1 3.54Å; Y371-W397 HydrophobicContact CD1-CB 4.13Å; Y371-W397 HydrophobicContact CE1-CB 3.91Å; Y371-W397 AromaticContact CE1-CD1 3.66Å; Y371-W397 HydrophobicContact CE1-CG 4.11Å; Y371-W397 AromaticContact CZ-CD1 3.43Å; Y371-W397 VanDerWaalsContact CZ-CD1 3.43Å; I374-W397 VanDerWaalsContact CD1-C 3.41Å; I374-W397 HydrophobicContact CD1-CB 3.64Å; Q393-W397 HydrophobicContact CB-CD2 4.04Å; Q393-W397 HydrophobicContact CB-CE3 3.92Å; Q393-W397 HydrophobicContact CB-CH2 3.43Å; Q393-W397 VanDerWaalsContact CB-CH2 3.43Å; Q393-W397 HydrophobicContact CB-CZ2 3.59Å; Q393-W397 HydrophobicContact CB-CZ3 3.61Å; Q393-W397 HydrophobicContact CG-CH2 4.2Å; Q393-W397 HydrophobicContact CG-CZ2 4.2Å; Q393-W397 PolarHBondContact O-N 3.3Å; H394-W397 HydrophobicContact CB-CE3 4.44Å; W397-Q400 PolarHBondContact O-N 2.9Å; W397-A401 WeakPolarHBondContact O-CB 3.33Å; W397-A401 PolarHBondContact O-N 3.12Å; W397-M469 HydrophobicContact CE3-CE 3.68Å; W397-M469 HydrophobicContact CE3-SD 4.49Å; W397-M469 HydrophobicContact CZ3-CE 4.15Å; W397-I540 HydrophobicContact CH2-CG2 4.14Å; W397-I540 HydrophobicContact CZ3-CG2 4.14Å; W397-E544 HydrophobicContact CH2-CB 4.38Å; W397-E544 HydrophobicContact CZ2-CB 4.1Å; W397-K545 PolarHBondContact NE1-O 2.92Å; W397-V546 HydrophobicContact CD2-CG2 4.48Å; W397-V546 HydrophobicContact CZ2-CG2 4.34Å |
| 398 | T | 97.8 | Very high | 96.9 | Very high | 0 Ų | 0 | 15.8 Ų | 15.8 | 0% | 0 | 9% | 0.085 | C | C | . | . | H | α-helix | trans | -64.9 | -45.5 | 177.5 | -51.8 | 0 | 0 | 0 | 0 | 111 | I374 I387 T389 H394 Q395 M396 Q400 A401 Y402 W410 F441 | I374-T398 HydrophobicContact CG2-CG2 4.38Å; I387-T398 HydrophobicContact CG2-CG2 4.04Å; T389-T398 HydrophobicContact CG2-CG2 4.16Å; H394-T398 VanDerWaalsContact O-CB 3.27Å; H394-T398 WeakPolarHBondContact O-CB 3.3Å; H394-T398 PolarHBondContact O-N 3.37Å; H394-T398 PolarHBondContact O-OG1 2.73Å; Q395-T398 PolarHBondContact O-N 3.28Å; M396-T398 VanDerWaalsContact C-N 3.29Å; M396-T398 PolarHBondContact O-N 2.92Å; T398-Q400 VanDerWaalsContact C-N 3.26Å; T398-Q400 PolarHBondContact O-N 3.41Å; T398-A401 PolarHBondContact O-N 3.45Å; T398-Y402 WeakPolarHBondContact O-CB 3.49Å; T398-Y402 PolarHBondContact O-N 3.26Å; T398-W410 HydrophobicContact CG2-CH2 4.25Å; T398-W410 HydrophobicContact CG2-CZ3 3.7Å; T398-F441 HydrophobicContact CG2-CB 4.44Å; T398-F441 HydrophobicContact CG2-CD2 3.71Å; T398-F441 HydrophobicContact CG2-CE2 4Å; T398-F441 HydrophobicContact CG2-CG 4Å |
| 399 | A | 97.2 | Very high | 96.9 | Very high | 9 Ų | 9 | 15.8 Ų | 15.8 | 7% | 0.074 | 9% | 0.085 | C | C | . | . | H | α-helix | trans | -60.3 | -34.4 | 176 | 0 | 0 | 0 | 0 | 0 | 113 | L244 L247 M260 Q395 M396 W410 | L244-A399 HydrophobicContact CD1-CB 3.71Å; L247-A399 HydrophobicContact CD1-CB 3.78Å; M260-A399 HydrophobicContact CE-CB 4.33Å; M260-A399 HydrophobicContact SD-CB 4.24Å; Q395-A399 WeakPolarHBondContact O-CB 3.5Å; Q395-A399 PolarHBondContact O-N 3.37Å; M396-A399 PolarHBondContact O-N 3.15Å; A399-W410 HydrophobicContact CB-CH2 3.92Å; A399-W410 HydrophobicContact CB-CZ2 3.89Å |
| 400 | Q | 94.7 | Very high | 96.8 | Very high | 18 Ų | 18 | 16.7 Ų | 16.7 | 8% | 0.084 | 9% | 0.088 | C | C | . | . | H | α-helix | trans | -79.4 | -40.1 | 178.7 | -72.5 | 172.1 | -24 | 0 | 0 | 112.9 | K252 M260 H264 Y371 M396 W397 T398 Y547 | K252-Q400 PolarHBondContact NZ-O 3.47Å; M260-Q400 HydrophobicContact CE-CG 4.42Å; H264-Q400 PolarHBondContact O-NE2 3.39Å; Y371-Q400 HydrophobicContact CE1-CB 4.15Å; Y371-Q400 PolarHBondContact OH-OE1 2.96Å; M396-Q400 WeakPolarHBondContact O-CB 3.42Å; M396-Q400 WeakPolarHBondContact O-CG 3.45Å; M396-Q400 PolarHBondContact O-N 2.7Å; W397-Q400 PolarHBondContact O-N 2.9Å; T398-Q400 VanDerWaalsContact C-N 3.26Å; T398-Q400 PolarHBondContact O-N 3.41Å; Q400-Y547 PolarHBondContact NE2-O 3.13Å; Q400-Y547 VanDerWaalsContact NE2-O 3.16Å |
| 401 | A | 95.3 | Very high | 96.8 | Very high | 2 Ų | 2 | 16.8 Ų | 16.8 | 2% | 0.017 | 9% | 0.089 | C | C | . | . | H | α-helix | trans | -98.4 | -41.7 | -171.3 | 0 | 0 | 0 | 0 | 0 | 114.6 | K252 Y371 I374 W397 T398 | K252-A401 VanDerWaalsContact NZ-C 3.32Å; K252-A401 PolarHBondContact NZ-O 3.34Å; Y371-A401 HydrophobicContact CD1-CB 3.6Å; Y371-A401 HydrophobicContact CE1-CB 4.27Å; I374-A401 HydrophobicContact CB-CB 4.26Å; I374-A401 HydrophobicContact CD1-CB 4.42Å; I374-A401 HydrophobicContact CG2-CB 3.9Å; W397-A401 WeakPolarHBondContact O-CB 3.33Å; W397-A401 PolarHBondContact O-N 3.12Å; T398-A401 PolarHBondContact O-N 3.45Å |
| 402 | Y | 96.7 | Very high | 96.8 | Very high | 6 Ų | 6 | 15.8 Ų | 15.8 | 2% | 0.024 | 8% | 0.083 | C | C | . | . | S | Bend | trans | -61.5 | 135.1 | -175.1 | -161.2 | -80.1 | 0 | 0 | 0 | 110.9 | I374 A378 V381 I387 T398 L404 L439 F441 | I374-Y402 HydrophobicContact CG2-CD2 3.99Å; I374-Y402 HydrophobicContact CG2-CG 4.4Å; A378-Y402 HydrophobicContact CB-CD2 3.94Å; A378-Y402 HydrophobicContact CB-CE2 3.57Å; V381-Y402 WeakPolarHBondContact CG2-OH 3.37Å; I387-Y402 HydrophobicContact CD1-CE1 3.87Å; I387-Y402 HydrophobicContact CD1-CE2 4.04Å; I387-Y402 HydrophobicContact CG1-CD1 3.85Å; I387-Y402 HydrophobicContact CG1-CD2 4.32Å; I387-Y402 HydrophobicContact CG1-CE1 3.53Å; I387-Y402 HydrophobicContact CG1-CE2 4.01Å; I387-Y402 HydrophobicContact CG1-CG 4.27Å; T398-Y402 WeakPolarHBondContact O-CB 3.49Å; T398-Y402 PolarHBondContact O-N 3.26Å; Y402-L404 VanDerWaalsContact C-N 3.28Å; Y402-L404 HydrophobicContact CD1-CD2 3.73Å; Y402-L404 HydrophobicContact CD1-CG 4.08Å; Y402-L404 HydrophobicContact CE1-CD2 4.36Å; Y402-L404 PolarHBondContact O-N 3.31Å; Y402-L439 HydrophobicContact CE2-CD1 4.29Å; Y402-F441 HydrophobicContact CD2-CE2 4.05Å; Y402-F441 HydrophobicContact CD2-CZ 4.14Å; Y402-F441 HydrophobicContact CE2-CE2 4.22Å; Y402-F441 HydrophobicContact CE2-CZ 4.36Å |
| 403 | P | 95.2 | Very high | 96.9 | Very high | 46 Ų | 46 | 15.4 Ų | 15.4 | 30% | 0.299 | 8% | 0.078 | S | C | . | . | trans | -77.6 | 74.5 | -180 | 32.7 | -36.2 | 0 | 0 | 0 | 111.2 | A378 N405 | A378-P403 HydrophobicContact CB-CG 3.97Å; P403-N405 VanDerWaalsContact O-CG 3.27Å; P403-N405 PolarHBondContact O-N 2.8Å; P403-N405 PolarHBondContact O-ND2 2.79Å | ||
| 404 | L | 96.9 | Very high | 96.9 | Very high | 9 Ų | 9 | 16.6 Ų | 16.6 | 5% | 0.047 | 9% | 0.092 | C | C | . | . | trans | -71.2 | 113.8 | 176.2 | -62.3 | 168 | 0 | 0 | 0 | 110.1 | L247 I387 Y402 Q409 W410 | L247-L404 HydrophobicContact CB-CD1 3.61Å; L247-L404 HydrophobicContact CD1-CD1 3.87Å; L247-L404 HydrophobicContact CG-CD1 4.37Å; I387-L404 HydrophobicContact CB-CD2 4.45Å; I387-L404 HydrophobicContact CG1-CD2 4.17Å; Y402-L404 VanDerWaalsContact C-N 3.28Å; Y402-L404 HydrophobicContact CD1-CD2 3.73Å; Y402-L404 HydrophobicContact CD1-CG 4.08Å; Y402-L404 HydrophobicContact CE1-CD2 4.36Å; Y402-L404 PolarHBondContact O-N 3.31Å; L404-Q409 HydrophobicContact CD2-CB 4.41Å; L404-Q409 HydrophobicContact CD2-CG 4.17Å; L404-W410 HydrophobicContact CD1-CB 3.96Å; L404-W410 HydrophobicContact CD1-CD2 3.77Å; L404-W410 HydrophobicContact CD1-CE3 3.62Å; L404-W410 HydrophobicContact CD1-CG 3.94Å; L404-W410 HydrophobicContact CD1-CZ3 4.33Å; L404-W410 HydrophobicContact CD2-CB 4Å; L404-W410 HydrophobicContact CD2-CE3 4.02Å; L404-W410 HydrophobicContact CG-CE3 4.42Å | ||
| 405 | N | 95.8 | Very high | 96.7 | Very high | 43 Ų | 43 | 17.3 Ų | 17.3 | 23% | 0.23 | 10% | 0.102 | C | C | . | . | trans | -121.3 | -6.5 | -170.9 | -55.3 | -51.2 | 0 | 0 | 0 | 115.8 | G248 P251 K252 D383 P403 | G248-N405 CarbonylContact O-C 3.56Å; P251-N405 HydrophobicContact CB-CB 4.15Å; K252-N405 PolarHBondContact N-OD1 3.36Å; D383-N405 WeakPolarHBondContact OD1-CB 3.45Å; D383-N405 PolarHBondContact OD1-ND2 2.83Å; P403-N405 VanDerWaalsContact O-CG 3.27Å; P403-N405 PolarHBondContact O-N 2.8Å; P403-N405 PolarHBondContact O-ND2 2.79Å | ||
| 406 | R | 95.2 | Very high | 96.7 | Very high | 35 Ų | 35 | 20.3 Ų | 20.3 | 13% | 0.132 | 12% | 0.118 | C | C | . | . | S | Bend | trans | -139.3 | 152.9 | -179.7 | 67.8 | -178.9 | -179 | 70.9 | -0.2 | 112.5 | G248 D383 N384 A385 R408 Q409 | G248-R406 CarbonylContact O-C 3.48Å; G248-R406 WeakPolarHBondContact O-CA 3.44Å; G248-R406 PolarHBondContact O-N 2.89Å; D383-R406 PolarHBondContact O-NE 3.28Å; N384-R406 PolarHBondContact O-NH2 2.87Å; A385-R406 PolarHBondContact O-NH2 3.09Å; R406-R408 PolarHBondContact NH1-O 3.05Å; R406-Q409 HydrophobicContact CG-CB 3.75Å; R406-Q409 HydrophobicContact CG-CG 4.14Å; R406-Q409 VanDerWaalsContact O-CB 3.26Å; R406-Q409 WeakPolarHBondContact O-CB 3.37Å; R406-Q409 PolarHBondContact O-N 2.95Å |
| 407 | P | 94.9 | Very high | 96.7 | Very high | 36 Ų | 36 | 20.8 Ų | 20.8 | 23% | 0.234 | 13% | 0.128 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -58.7 | 150.9 | 170.9 | 26.5 | -36.2 | 0 | 0 | 0 | 110.9 | I223 P226 M249 Q409 | I223-P407 HydrophobicContact CD1-CB 3.61Å; I223-P407 HydrophobicContact CG1-CB 4.3Å; P226-P407 HydrophobicContact CB-CG 4.06Å; P226-P407 HydrophobicContact CG-CG 4.12Å; M249-P407 HydrophobicContact SD-CB 3.9Å; P407-Q409 PolarHBondContact O-N 3.24Å; P407-Q409 VanDerWaalsContact O-N 3.11Å |
| 408 | R | 95.9 | Very high | 96.7 | Very high | 49 Ų | 49 | 21.3 Ų | 21.3 | 19% | 0.185 | 13% | 0.131 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 57.9 | 23.4 | 178.4 | -51.5 | -179.2 | 177.8 | -83.9 | 1.4 | 113.6 | R72 T73 I223 N224 R406 | R72-R408 WeakPolarHBondContact O-CG 3.31Å; R72-R408 PolarHBondContact O-NH1 2.99Å; T73-R408 VanDerWaalsContact O-CD 3.25Å; T73-R408 WeakPolarHBondContact O-CD 3.49Å; I223-R408 HydrophobicContact CD1-CG 4.18Å; I223-R408 HydrophobicContact CG1-CG 3.82Å; N224-R408 PolarHBondContact OD1-NH2 3.19Å; R406-R408 PolarHBondContact NH1-O 3.05Å |
| 409 | Q | 97.2 | Very high | 96.8 | Very high | 0 Ų | 0 | 23.6 Ų | 23.6 | 0% | 0 | 14% | 0.143 | C | C | . | . | S | Bend | trans | -85.8 | -33.5 | 168 | -163 | 175.3 | 20.5 | 0 | 0 | 111.2 | D383 A385 I387 L404 R406 P407 | D383-Q409 PolarHBondContact O-NE2 3.48Å; D383-Q409 VanDerWaalsContact O-NE2 3.09Å; D383-Q409 PolarHBondContact OD1-NE2 3.31Å; A385-Q409 VanDerWaalsContact O-CG 3.29Å; A385-Q409 WeakPolarHBondContact O-CG 3.14Å; I387-Q409 PolarHBondContact N-O 2.82Å; L404-Q409 HydrophobicContact CD2-CB 4.41Å; L404-Q409 HydrophobicContact CD2-CG 4.17Å; R406-Q409 HydrophobicContact CG-CB 3.75Å; R406-Q409 HydrophobicContact CG-CG 4.14Å; R406-Q409 VanDerWaalsContact O-CB 3.26Å; R406-Q409 WeakPolarHBondContact O-CB 3.37Å; R406-Q409 PolarHBondContact O-N 2.95Å; P407-Q409 PolarHBondContact O-N 3.24Å; P407-Q409 VanDerWaalsContact O-N 3.11Å |
| 410 | W | 98 | Very high | 96.8 | Very high | 19 Ų | 19 | 23.2 Ų | 23.2 | 7% | 0.072 | 14% | 0.14 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.4 | 116.3 | -173.9 | 176.8 | -109.8 | 0 | 0 | 0 | 111.2 | L244 L247 I387 T389 Q395 T398 A399 L404 T412 | L244-W410 HydrophobicContact CD1-CZ2 3.8Å; L244-W410 PolarHBondContact O-NE1 2.9Å; L244-W410 VanDerWaalsContact O-NE1 3.1Å; L247-W410 HydrophobicContact CB-CG 4.45Å; I387-W410 HydrophobicContact CB-CE3 4.33Å; I387-W410 HydrophobicContact CG2-CE3 4.03Å; I387-W410 HydrophobicContact CG2-CZ3 3.99Å; T389-W410 HydrophobicContact CG2-CE3 4.46Å; T389-W410 HydrophobicContact CG2-CH2 3.34Å; T389-W410 HydrophobicContact CG2-CZ2 4.25Å; T389-W410 HydrophobicContact CG2-CZ3 3.46Å; T389-W410 VanDerWaalsContact CG2-CZ3 3.46Å; Q395-W410 HydrophobicContact CG-CZ2 4.45Å; T398-W410 HydrophobicContact CG2-CH2 4.25Å; T398-W410 HydrophobicContact CG2-CZ3 3.7Å; A399-W410 HydrophobicContact CB-CH2 3.92Å; A399-W410 HydrophobicContact CB-CZ2 3.89Å; L404-W410 HydrophobicContact CD1-CB 3.96Å; L404-W410 HydrophobicContact CD1-CD2 3.77Å; L404-W410 HydrophobicContact CD1-CE3 3.62Å; L404-W410 HydrophobicContact CD1-CG 3.94Å; L404-W410 HydrophobicContact CD1-CZ3 4.33Å; L404-W410 HydrophobicContact CD2-CB 4Å; L404-W410 HydrophobicContact CD2-CE3 4.02Å; L404-W410 HydrophobicContact CG-CE3 4.42Å; W410-T412 HydrophobicContact CZ2-CG2 3.89Å |
| 411 | L | 98.5 | Very high | 97.1 | Very high | 3 Ų | 3 | 22.4 Ų | 22.4 | 2% | 0.016 | 14% | 0.136 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.3 | 103.2 | 179.2 | -46.4 | -171.5 | 0 | 0 | 0 | 110.3 | R72 T73 I386 I387 T388 T389 A429 | R72-L411 HydrophobicContact CB-CD1 4.32Å; R72-L411 HydrophobicContact CB-CD2 3.62Å; R72-L411 HydrophobicContact CB-CG 4.47Å; T73-L411 HydrophobicContact CG2-CD1 3.67Å; T73-L411 HydrophobicContact CG2-CD2 4.48Å; I386-L411 HydrophobicContact CG2-CD1 3.74Å; I386-L411 HydrophobicContact CG2-CG 3.91Å; I387-L411 PolarHBondContact O-N 2.99Å; T388-L411 WeakPolarHBondContact CA-O 3.16Å; T388-L411 HydrophobicContact CG2-CB 3.99Å; T388-L411 HydrophobicContact CG2-CD1 4.08Å; T388-L411 HydrophobicContact CG2-CG 4.36Å; T389-L411 PolarHBondContact N-O 3.43Å; T389-L411 VanDerWaalsContact N-O 3.14Å; L411-A429 HydrophobicContact CD1-CB 3.84Å |
| 412 | T | 98.7 | Very high | 97.2 | Very high | 1 Ų | 1 | 22.3 Ų | 22.3 | 1% | 0.006 | 14% | 0.135 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.3 | 154.9 | 176.9 | -171.2 | 0 | 0 | 0 | 0 | 110.7 | R72 L244 M245 T389 Q395 W410 G414 | R72-T412 PolarHBondContact NH1-O 3.09Å; L244-T412 HydrophobicContact CD2-CG2 3.93Å; L244-T412 HydrophobicContact CG-CG2 3.99Å; M245-T412 HydrophobicContact SD-CG2 4.22Å; T389-T412 VanDerWaalsContact OG1-CB 3.28Å; T389-T412 WeakPolarHBondContact OG1-CB 3.44Å; T389-T412 PolarHBondContact OG1-OG1 3.26Å; Q395-T412 PolarHBondContact NE2-OG1 3.27Å; W410-T412 HydrophobicContact CZ2-CG2 3.89Å; T412-G414 PolarHBondContact O-N 2.87Å |
| 413 | S | 98.6 | Very high | 97.3 | Very high | 0 Ų | 0 | 22.1 Ų | 22.1 | 0% | 0 | 14% | 0.135 | C | C | . | . | trans | -74.3 | 114.3 | 159.5 | 176.3 | 0 | 0 | 0 | 0 | 109.2 | D97 Q395 G417 T418 | D97-S413 VanDerWaalsContact OD1-CB 3.25Å; D97-S413 WeakPolarHBondContact OD1-CB 3.22Å; D97-S413 PolarHBondContact OD1-OG 3.37Å; Q395-S413 PolarHBondContact NE2-O 3.39Å; S413-G417 PolarHBondContact OG-N 2.8Å; S413-T418 PolarHBondContact OG-N 2.78Å | ||
| 414 | G | 96.9 | Very high | 97.5 | Very high | 29 Ų | 29 | 19.9 Ų | 19.9 | 30% | 0.299 | 12% | 0.12 | S | C | . | . | trans | -103.5 | -59.3 | -179.1 | 0 | 0 | 0 | 0 | 0 | 112.9 | D101 T412 | D101-G414 PolarHBondContact OD2-N 3.46Å; T412-G414 PolarHBondContact O-N 2.87Å | ||
| 415 | G | 94.8 | Very high | 97.6 | Very high | 25 Ų | 25 | 19.5 Ų | 19.5 | 26% | 0.258 | 12% | 0.118 | S | C | . | . | S | Bend | trans | -71.4 | -41.3 | -171.5 | 0 | 0 | 0 | 0 | 0 | 114.3 | D101 | D101-G415 WeakPolarHBondContact OD1-CA 3.36Å; D101-G415 PolarHBondContact OD1-N 3.48Å |
| 416 | L | 97.4 | Very high | 97.7 | Very high | 74 Ų | 74 | 17.4 Ų | 17.4 | 39% | 0.387 | 11% | 0.107 | S | C | . | . | S | Bend | trans | -87.5 | -30.6 | 175.1 | -168 | 54.3 | 0 | 0 | 0 | 112.3 | T93 A96 D97 L100 T418 | T93-L416 HydrophobicContact CG2-CD2 4.35Å; A96-L416 HydrophobicContact CB-CD2 3.9Å; D97-L416 HydrophobicContact CB-CB 4.41Å; D97-L416 HydrophobicContact CB-CD2 4Å; L100-L416 HydrophobicContact CD1-CB 3.76Å; L100-L416 HydrophobicContact CD1-CD1 3.74Å; L100-L416 HydrophobicContact CD1-CG 4.26Å; L416-T418 WeakPolarHBondContact CD2-OG1 3.16Å; L416-T418 WeakPolarHBondContact CG-OG1 3.35Å |
| 417 | G | 97.5 | Very high | 97.9 | Very high | 31 Ų | 31 | 15.8 Ų | 15.8 | 32% | 0.32 | 10% | 0.101 | S | C | . | . | trans | 67.5 | 50.2 | -176.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | S413 M419 | S413-G417 PolarHBondContact OG-N 2.8Å; G417-M419 PolarHBondContact O-N 2.9Å | ||
| 418 | T | 98.6 | Very high | 98.1 | Very high | 12 Ų | 12 | 14 Ų | 14 | 7% | 0.074 | 9% | 0.09 | C | C | . | . | trans | -83.7 | 113.7 | -174.2 | -44.9 | 0 | 0 | 0 | 0 | 113.1 | F65 T93 D97 V391 S413 L416 F421 | F65-T418 HydrophobicContact CE2-CG2 4.29Å; F65-T418 HydrophobicContact CZ-CG2 3.64Å; T93-T418 HydrophobicContact CG2-CG2 3.64Å; D97-T418 PolarHBondContact OD1-OG1 2.91Å; V391-T418 WeakPolarHBondContact CG2-O 3.48Å; S413-T418 PolarHBondContact OG-N 2.78Å; L416-T418 WeakPolarHBondContact CD2-OG1 3.16Å; L416-T418 WeakPolarHBondContact CG-OG1 3.35Å; T418-F421 VanDerWaalsContact O-CB 3.26Å; T418-F421 WeakPolarHBondContact O-CB 3.3Å | ||
| 419 | M | 98.7 | Very high | 98.2 | Very high | 48 Ų | 48 | 11.7 Ų | 11.7 | 24% | 0.236 | 8% | 0.081 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -66.6 | 143.5 | 167.3 | -68.4 | 172.4 | 65.6 | 0 | 0 | 111.1 | V391 G417 M449 L474 | V391-M419 HydrophobicContact CB-CG 4.15Å; G417-M419 PolarHBondContact O-N 2.9Å; M419-M449 HydrophobicContact CB-CE 3.79Å; M419-M449 HydrophobicContact CB-SD 3.29Å; M419-M449 WeakPolarHBondContact CB-SD 3.24Å; M419-M449 HydrophobicContact CE-CE 3.53Å; M419-M449 HydrophobicContact CE-SD 4.33Å; M419-M449 HydrophobicContact CG-CE 4.42Å; M419-M449 HydrophobicContact CG-SD 4.48Å; M419-M449 HydrophobicContact SD-CE 3.77Å; M419-L474 HydrophobicContact CE-CD2 3.57Å; M419-L474 HydrophobicContact SD-CD2 4.44Å |
| 420 | G | 98.6 | Very high | 98.3 | Very high | 2 Ų | 2 | 12 Ų | 12 | 2% | 0.021 | 8% | 0.083 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 86.6 | 6.3 | -174.9 | 0 | 0 | 0 | 0 | 0 | 114.1 | D390 P424 S446 N450 | D390-G420 WeakPolarHBondContact OD1-CA 3.37Å; D390-G420 PolarHBondContact OD1-N 3.28Å; G420-P424 WeakPolarHBondContact O-CD 3.29Å; G420-P424 WeakPolarHBondContact O-CG 3.48Å; G420-S446 WeakPolarHBondContact CA-O 3.41Å; G420-N450 WeakPolarHBondContact O-CB 3.4Å; G420-N450 PolarHBondContact O-ND2 2.84Å |
| 421 | F | 98.9 | Very high | 98.3 | Very high | 0 Ų | 0 | 11.9 Ų | 11.9 | 0% | 0 | 8% | 0.084 | C | C | . | . | trans | -75.4 | -38.7 | 177 | 171.9 | -89.4 | 0 | 0 | 0 | 112.8 | F65 T389 D390 T418 L423 P424 A425 | F65-F421 AromaticContact CD1-CD2 3.61Å; F65-F421 HydrophobicContact CD1-CD2 3.61Å; F65-F421 HydrophobicContact CD1-CE2 4.18Å; F65-F421 AromaticContact CE1-CD2 3.91Å; F65-F421 HydrophobicContact CE1-CD2 3.91Å; F65-F421 HydrophobicContact CG-CD2 4.13Å; T389-F421 WeakPolarHBondContact O-CD1 3.29Å; D390-F421 PolarHBondContact OD1-N 3.09Å; T418-F421 VanDerWaalsContact O-CB 3.26Å; T418-F421 WeakPolarHBondContact O-CB 3.3Å; F421-L423 PolarHBondContact O-N 2.87Å; F421-P424 WeakPolarHBondContact O-CD 3.24Å; F421-A425 HydrophobicContact CD1-CB 3.92Å; F421-A425 HydrophobicContact CE1-CB 3.43Å; F421-A425 VanDerWaalsContact CE1-CB 3.43Å; F421-A425 HydrophobicContact CE2-CB 4.14Å; F421-A425 HydrophobicContact CG-CB 4.45Å; F421-A425 HydrophobicContact CZ-CB 3.56Å; F421-A425 VanDerWaalsContact O-CB 3.27Å; F421-A425 WeakPolarHBondContact O-CB 3.37Å; F421-A425 PolarHBondContact O-N 2.96Å | ||
| 422 | G | 98.8 | Very high | 98.3 | Very high | 0 Ų | 0 | 13.6 Ų | 13.6 | 0% | 0 | 10% | 0.098 | C | C | . | . | H | α-helix | trans | -61.4 | -50.9 | -161.2 | 0 | 0 | 0 | 0 | 0 | 114.2 | T388 T389 D390 A426 | T388-G422 PolarHBondContact OG1-O 3.03Å; T389-G422 WeakPolarHBondContact O-CA 3.29Å; D390-G422 PolarHBondContact OD1-N 3.16Å; G422-A426 WeakPolarHBondContact O-CB 3.17Å; G422-A426 PolarHBondContact O-N 3.08Å |
| 423 | L | 98.9 | Very high | 98.2 | Very high | 2 Ų | 2 | 14.8 Ų | 14.8 | 1% | 0.01 | 11% | 0.105 | C | C | . | . | H | α-helix | trans | -66.5 | -51.3 | -178.8 | 168.8 | 62.2 | 0 | 0 | 0 | 112.4 | F421 A425 A426 I427 C440 L447 E453 M454 V464 I466 | F421-L423 PolarHBondContact O-N 2.87Å; L423-A425 VanDerWaalsContact C-N 3.33Å; L423-A425 PolarHBondContact O-N 3.4Å; L423-A426 WeakPolarHBondContact O-CB 3.42Å; L423-A426 PolarHBondContact O-N 2.76Å; L423-A426 VanDerWaalsContact O-N 3.12Å; L423-I427 HydrophobicContact CD1-CD1 4.1Å; L423-I427 HydrophobicContact CD1-CG1 4.33Å; L423-I427 HydrophobicContact CG-CD1 4.26Å; L423-I427 WeakPolarHBondContact O-CG1 3.48Å; L423-I427 PolarHBondContact O-N 3.41Å; L423-C440 PolarHBondContact N-SG 3.46Å; L423-L447 HydrophobicContact CB-CD1 4.42Å; L423-L447 HydrophobicContact CD2-CD1 4.1Å; L423-E453 HydrophobicContact CD2-CB 4.26Å; L423-E453 HydrophobicContact CG-CB 4.34Å; L423-M454 HydrophobicContact CD2-CG 3.76Å; L423-V464 HydrophobicContact CD1-CG1 4.32Å; L423-I466 HydrophobicContact CD1-CD1 3.65Å; L423-I466 HydrophobicContact CD1-CG1 4.05Å; L423-I466 HydrophobicContact CD2-CD1 4.22Å |
| 424 | P | 98.9 | Very high | 98.1 | Very high | 0 Ų | 0 | 19.5 Ų | 19.5 | 0% | 0 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -56.3 | -43.2 | 173.6 | -27.4 | 35 | 0 | 0 | 0 | 113.4 | F65 I66 G420 F421 A426 I427 G428 N450 E453 | F65-P424 HydrophobicContact CB-CB 3.42Å; F65-P424 VanDerWaalsContact CB-CB 3.42Å; F65-P424 HydrophobicContact CB-CG 4.24Å; F65-P424 HydrophobicContact CD2-CB 4.38Å; F65-P424 HydrophobicContact CD2-CG 4.32Å; F65-P424 HydrophobicContact CG-CB 4.41Å; I66-P424 WeakPolarHBondContact CA-O 3.12Å; I66-P424 HydrophobicContact CG1-CB 4.07Å; I66-P424 VanDerWaalsContact CG1-O 3.28Å; I66-P424 WeakPolarHBondContact CG1-O 3.28Å; G420-P424 WeakPolarHBondContact O-CD 3.29Å; G420-P424 WeakPolarHBondContact O-CG 3.48Å; F421-P424 WeakPolarHBondContact O-CD 3.24Å; P424-A426 VanDerWaalsContact C-N 3.29Å; P424-A426 PolarHBondContact O-N 3.5Å; P424-I427 WeakPolarHBondContact O-CB 3.3Å; P424-I427 PolarHBondContact O-N 2.86Å; P424-G428 PolarHBondContact O-N 3.24Å; P424-N450 HydrophobicContact CG-CB 3.82Å; P424-E453 HydrophobicContact CG-CB 4.48Å; P424-E453 HydrophobicContact CG-CG 4.08Å |
| 425 | A | 98.9 | Very high | 98 | Very high | 0 Ų | 0 | 25.9 Ų | 25.9 | 0% | 0 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -63.7 | -35.1 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | G69 F421 L423 G428 A429 | G69-A425 WeakPolarHBondContact CA-O 3.15Å; F421-A425 HydrophobicContact CD1-CB 3.92Å; F421-A425 HydrophobicContact CE1-CB 3.43Å; F421-A425 VanDerWaalsContact CE1-CB 3.43Å; F421-A425 HydrophobicContact CE2-CB 4.14Å; F421-A425 HydrophobicContact CG-CB 4.45Å; F421-A425 HydrophobicContact CZ-CB 3.56Å; F421-A425 VanDerWaalsContact O-CB 3.27Å; F421-A425 WeakPolarHBondContact O-CB 3.37Å; F421-A425 PolarHBondContact O-N 2.96Å; L423-A425 VanDerWaalsContact C-N 3.33Å; L423-A425 PolarHBondContact O-N 3.4Å; A425-G428 PolarHBondContact O-N 3.21Å; A425-A429 WeakPolarHBondContact O-CB 3.47Å; A425-A429 PolarHBondContact O-N 3.47Å |
| 426 | A | 98.9 | Very high | 98 | Very high | 0 Ų | 0 | 28.7 Ų | 28.7 | 0% | 0 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -64.9 | -42.1 | 174.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | T388 G422 L423 P424 G428 A429 A430 V438 C440 V464 | T388-A426 HydrophobicContact CG2-CB 3.89Å; T388-A426 WeakPolarHBondContact OG1-CB 3.19Å; G422-A426 WeakPolarHBondContact O-CB 3.17Å; G422-A426 PolarHBondContact O-N 3.08Å; L423-A426 WeakPolarHBondContact O-CB 3.42Å; L423-A426 PolarHBondContact O-N 2.76Å; L423-A426 VanDerWaalsContact O-N 3.12Å; P424-A426 VanDerWaalsContact C-N 3.29Å; P424-A426 PolarHBondContact O-N 3.5Å; A426-G428 VanDerWaalsContact C-N 3.31Å; A426-G428 PolarHBondContact O-N 2.98Å; A426-A429 PolarHBondContact O-N 2.89Å; A426-A430 WeakPolarHBondContact O-CB 3.39Å; A426-A430 PolarHBondContact O-N 2.85Å; A426-V438 HydrophobicContact CB-CG1 3.7Å; A426-C440 HydrophobicContact CB-CB 4.01Å; A426-V464 HydrophobicContact CB-CG1 3.66Å; A426-V464 HydrophobicContact CB-CG2 4.32Å |
| 427 | I | 98.9 | Very high | 98 | Very high | 0 Ų | 0 | 27.4 Ų | 27.4 | 0% | 0 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -58.6 | -46.4 | 173.8 | -70.1 | 164.6 | 0 | 0 | 0 | 109.8 | I66 L423 P424 A430 L431 E453 T456 A457 L462 | I66-I427 HydrophobicContact CD1-CG2 3.84Å; I66-I427 HydrophobicContact CG1-CB 4.07Å; I66-I427 HydrophobicContact CG1-CG2 3.79Å; I66-I427 HydrophobicContact CG2-CG2 3.99Å; L423-I427 HydrophobicContact CD1-CD1 4.1Å; L423-I427 HydrophobicContact CD1-CG1 4.33Å; L423-I427 HydrophobicContact CG-CD1 4.26Å; L423-I427 WeakPolarHBondContact O-CG1 3.48Å; L423-I427 PolarHBondContact O-N 3.41Å; P424-I427 WeakPolarHBondContact O-CB 3.3Å; P424-I427 PolarHBondContact O-N 2.86Å; I427-A430 PolarHBondContact O-N 3.21Å; I427-L431 HydrophobicContact CG2-CD1 3.91Å; I427-L431 WeakPolarHBondContact O-CB 3.43Å; I427-L431 WeakPolarHBondContact O-CD1 2.98Å; I427-L431 VanDerWaalsContact O-CG 3.25Å; I427-L431 WeakPolarHBondContact O-CG 3.44Å; I427-L431 PolarHBondContact O-N 3Å; I427-E453 HydrophobicContact CD1-CB 3.79Å; I427-E453 VanDerWaalsContact CD1-O 3.23Å; I427-E453 WeakPolarHBondContact CD1-O 3.38Å; I427-T456 HydrophobicContact CD1-CG2 4.43Å; I427-T456 HydrophobicContact CG2-CG2 4.09Å; I427-A457 HydrophobicContact CD1-CB 4.08Å; I427-A457 HydrophobicContact CG1-CB 3.97Å; I427-L462 HydrophobicContact CB-CD1 4.2Å; I427-L462 HydrophobicContact CG1-CD1 4.38Å; I427-L462 HydrophobicContact CG2-CD1 3.63Å |
| 428 | G | 98.8 | Very high | 98 | Very high | 0 Ų | 0 | 25.9 Ų | 25.9 | 0% | 0 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -59 | -47.1 | 175.3 | 0 | 0 | 0 | 0 | 0 | 113.2 | I66 M70 P424 A425 A426 A430 L431 A432 | I66-G428 VanDerWaalsContact O-CA 3.22Å; I66-G428 WeakPolarHBondContact O-CA 3.43Å; M70-G428 WeakPolarHBondContact CG-O 3.29Å; P424-G428 PolarHBondContact O-N 3.24Å; A425-G428 PolarHBondContact O-N 3.21Å; A426-G428 VanDerWaalsContact C-N 3.31Å; A426-G428 PolarHBondContact O-N 2.98Å; G428-A430 PolarHBondContact O-N 2.9Å; G428-L431 PolarHBondContact O-N 2.81Å; G428-A432 PolarHBondContact O-N 3.1Å; G428-A432 VanDerWaalsContact O-N 3.08Å |
| 429 | A | 98.7 | Very high | 98.1 | Very high | 0 Ų | 0 | 25.3 Ų | 25.3 | 0% | 0 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -61.3 | -42.5 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | T73 I386 L411 A425 A426 A432 N433 V438 | T73-A429 HydrophobicContact CG2-CB 3.84Å; I386-A429 HydrophobicContact CD1-CB 4.3Å; I386-A429 HydrophobicContact CG2-CB 3.96Å; L411-A429 HydrophobicContact CD1-CB 3.84Å; A425-A429 WeakPolarHBondContact O-CB 3.47Å; A425-A429 PolarHBondContact O-N 3.47Å; A426-A429 PolarHBondContact O-N 2.89Å; A429-A432 PolarHBondContact O-N 2.91Å; A429-N433 WeakPolarHBondContact O-CB 3.23Å; A429-N433 PolarHBondContact O-N 3.22Å; A429-N433 PolarHBondContact O-ND2 3.04Å; A429-V438 HydrophobicContact CB-CG1 4.16Å; A429-V438 HydrophobicContact CB-CG2 4.28Å |
| 430 | A | 98.5 | Very high | 98.1 | Very high | 6 Ų | 6 | 23 Ų | 23 | 5% | 0.05 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -67.2 | -38.8 | 179.1 | 0 | 0 | 0 | 0 | 0 | 112 | A426 I427 G428 N433 P434 V438 L462 V464 | A426-A430 WeakPolarHBondContact O-CB 3.39Å; A426-A430 PolarHBondContact O-N 2.85Å; I427-A430 PolarHBondContact O-N 3.21Å; G428-A430 PolarHBondContact O-N 2.9Å; A430-N433 CarbonylContact O-C 3.57Å; A430-N433 VanDerWaalsContact O-C 3.31Å; A430-N433 PolarHBondContact O-N 3.45Å; A430-P434 WeakPolarHBondContact O-CA 3.48Å; A430-V438 HydrophobicContact CB-CB 4.46Å; A430-V438 HydrophobicContact CB-CG2 3.83Å; A430-L462 HydrophobicContact CB-CB 4.08Å; A430-L462 HydrophobicContact CB-CD1 4.43Å; A430-L462 HydrophobicContact CB-CD2 4.48Å; A430-V464 HydrophobicContact CB-CG2 3.77Å |
| 431 | L | 98.2 | Very high | 98.1 | Very high | 17 Ų | 17 | 23 Ų | 23 | 9% | 0.089 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -62.8 | -41.6 | 174.7 | -74.9 | 164.4 | 0 | 0 | 0 | 112.3 | I30 I55 I66 M70 I427 G428 L462 | I30-L431 HydrophobicContact CD1-CB 3.98Å; I30-L431 HydrophobicContact CD1-CD2 4.46Å; I55-L431 HydrophobicContact CD1-CD1 4.28Å; I55-L431 HydrophobicContact CD1-CD2 3.7Å; I55-L431 HydrophobicContact CG1-CD1 3.89Å; I55-L431 HydrophobicContact CG1-CD2 4.17Å; I55-L431 HydrophobicContact CG2-CD1 4.19Å; I66-L431 HydrophobicContact CG2-CD1 3.79Å; M70-L431 HydrophobicContact SD-CB 4.44Å; I427-L431 HydrophobicContact CG2-CD1 3.91Å; I427-L431 WeakPolarHBondContact O-CB 3.43Å; I427-L431 WeakPolarHBondContact O-CD1 2.98Å; I427-L431 VanDerWaalsContact O-CG 3.25Å; I427-L431 WeakPolarHBondContact O-CG 3.44Å; I427-L431 PolarHBondContact O-N 3Å; G428-L431 PolarHBondContact O-N 2.81Å; L431-L462 HydrophobicContact CD1-CD1 4.43Å; L431-L462 HydrophobicContact CD2-CD1 4.15Å; L431-L462 HydrophobicContact CD2-CD2 3.84Å; L431-L462 HydrophobicContact CG-CD1 3.87Å; L431-L462 HydrophobicContact CG-CD2 4.16Å |
| 432 | A | 97.6 | Very high | 98.1 | Very high | 38 Ų | 38 | 23 Ų | 23 | 31% | 0.314 | 13% | 0.126 | S | C | . | . | H | α-helix | trans | -77.8 | -22.1 | 178.5 | 0 | 0 | 0 | 0 | 0 | 113.4 | M70 G428 A429 | M70-A432 HydrophobicContact CB-CB 4.25Å; M70-A432 HydrophobicContact CG-CB 4.08Å; G428-A432 PolarHBondContact O-N 3.1Å; G428-A432 VanDerWaalsContact O-N 3.08Å; A429-A432 PolarHBondContact O-N 2.91Å |
| 433 | N | 97.2 | Very high | 98 | Very high | 26 Ų | 26 | 23.2 Ų | 23.2 | 14% | 0.139 | 13% | 0.128 | C | C | . | . | trans | -135.7 | 66 | -173.9 | -53.5 | -100 | 0 | 0 | 0 | 111 | T73 I386 A429 A430 D435 R436 | T73-N433 VanDerWaalsContact CB-ND2 3.31Å; T73-N433 WeakPolarHBondContact CB-ND2 3.39Å; T73-N433 PolarHBondContact OG1-ND2 3.41Å; I386-N433 HydrophobicContact CD1-CB 3.87Å; A429-N433 WeakPolarHBondContact O-CB 3.23Å; A429-N433 PolarHBondContact O-N 3.22Å; A429-N433 PolarHBondContact O-ND2 3.04Å; A430-N433 CarbonylContact O-C 3.57Å; A430-N433 VanDerWaalsContact O-C 3.31Å; A430-N433 PolarHBondContact O-N 3.45Å; N433-D435 PolarHBondContact O-N 3.2Å; N433-R436 HydrophobicContact CB-CB 4.11Å; N433-R436 HydrophobicContact CB-CG 4.15Å; N433-R436 PolarHBondContact O-N 3.08Å | ||
| 434 | P | 96.1 | Very high | 98 | Very high | 100 Ų | 100 | 23.3 Ų | 23.3 | 65% | 0.649 | 13% | 0.129 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -61.2 | -21.8 | -173.2 | 24.9 | -35.6 | 0 | 0 | 0 | 114.1 | A430 | A430-P434 WeakPolarHBondContact O-CA 3.48Š|
| 435 | D | 95 | Very high | 97.9 | Very high | 162 Ų | 162 | 23.6 Ų | 23.6 | 87% | 0.866 | 13% | 0.132 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -87.9 | -0.9 | 179.9 | -55.2 | -45.8 | 0 | 0 | 0 | 113.6 | N433 | N433-D435 PolarHBondContact O-N 3.2Š|
| 436 | R | 95.4 | Very high | 97.9 | Very high | 85 Ų | 85 | 23.8 Ų | 23.8 | 32% | 0.321 | 13% | 0.133 | S | C | . | . | S | Bend | trans | -111.1 | 139.7 | -177.3 | -64.8 | -177 | 179.3 | 177.7 | -1.3 | 111.3 | N384 I386 N433 | N384-R436 WeakPolarHBondContact O-CD 3.41Å; I386-R436 HydrophobicContact CD1-CB 4.37Å; N433-R436 HydrophobicContact CB-CB 4.11Å; N433-R436 HydrophobicContact CB-CG 4.15Å; N433-R436 PolarHBondContact O-N 3.08Å |
| 437 | K | 97 | Very high | 97.9 | Very high | 46 Ų | 46 | 23.9 Ų | 23.9 | 20% | 0.2 | 13% | 0.133 | C | C | . | . | trans | -65.1 | 134.3 | 167.2 | -67.1 | -68.1 | -178.5 | 174.5 | 0 | 109.8 | V381 A385 I386 D463 I528 | V381-K437 HydrophobicContact CG1-CB 4.29Å; V381-K437 HydrophobicContact CG1-CG 4.38Å; A385-K437 CarbonylContact C-O 3.56Å; A385-K437 VanDerWaalsContact CA-O 3.26Å; A385-K437 WeakPolarHBondContact CA-O 3.35Å; A385-K437 HydrophobicContact CB-CB 4.33Å; I386-K437 PolarHBondContact N-O 2.89Å; K437-D463 VanDerWaalsContact CD-OD2 3.27Å; K437-D463 WeakPolarHBondContact CD-OD2 3.48Å; K437-D463 VanDerWaalsContact CE-OD2 3.25Å; K437-D463 WeakPolarHBondContact CE-OD2 3.26Å; K437-D463 IonicContact NZ-OD1 3.5Å; K437-D463 IonicContact NZ-OD2 3.7Å; K437-D463 PolarHBondContact NZ-OD2 3.01Å; K437-I528 PolarHBondContact NZ-O 2.88Å | ||
| 438 | V | 98.7 | Very high | 97.8 | Very high | 0 Ų | 0 | 27.7 Ų | 27.7 | 0% | 0 | 15% | 0.152 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117 | 121.8 | 174.5 | -173 | 0 | 0 | 0 | 0 | 109.5 | I386 T388 A426 A429 A430 D463 V464 K465 | I386-V438 HydrophobicContact CB-CG2 4.37Å; I386-V438 WeakPolarHBondContact O-CA 3.33Å; T388-V438 HydrophobicContact CG2-CG1 4.18Å; A426-V438 HydrophobicContact CB-CG1 3.7Å; A429-V438 HydrophobicContact CB-CG1 4.16Å; A429-V438 HydrophobicContact CB-CG2 4.28Å; A430-V438 HydrophobicContact CB-CB 4.46Å; A430-V438 HydrophobicContact CB-CG2 3.83Å; V438-D463 PolarHBondContact N-O 2.88Å; V438-V464 HydrophobicContact CB-CG2 4.45Å; V438-K465 PolarHBondContact O-N 3.4Å |
| 439 | L | 98.8 | Very high | 97.8 | Very high | 0 Ų | 0 | 32.2 Ų | 32.2 | 0% | 0 | 18% | 0.175 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.9 | 122.9 | -178.6 | -52.5 | 175.3 | 0 | 0 | 0 | 108.9 | V377 V381 A385 I386 I387 T388 Y402 F441 K465 I467 | V377-L439 HydrophobicContact CG1-CD1 3.55Å; V377-L439 HydrophobicContact CG1-CD2 4.4Å; V377-L439 HydrophobicContact CG1-CG 4.46Å; V381-L439 HydrophobicContact CG1-CD1 4.19Å; V381-L439 HydrophobicContact CG1-CD2 4.33Å; V381-L439 HydrophobicContact CG2-CD1 3.83Å; A385-L439 HydrophobicContact CB-CD1 4.4Å; I386-L439 PolarHBondContact O-N 3.1Å; I387-L439 CarbonylContact C-O 3.59Å; I387-L439 WeakPolarHBondContact CA-O 3.44Å; I387-L439 HydrophobicContact CD1-CB 4.16Å; I387-L439 HydrophobicContact CD1-CD1 3.88Å; I387-L439 HydrophobicContact CD1-CG 4.27Å; T388-L439 PolarHBondContact N-O 3.37Å; Y402-L439 HydrophobicContact CE2-CD1 4.29Å; L439-F441 HydrophobicContact CB-CE2 4.26Å; L439-K465 CarbonylContact C-O 3.55Å; L439-K465 WeakPolarHBondContact CA-O 3.31Å; L439-K465 HydrophobicContact CD2-CB 3.78Å; L439-K465 HydrophobicContact CD2-CG 3.89Å; L439-I467 HydrophobicContact CB-CD1 3.96Å; L439-I467 HydrophobicContact CD2-CD1 4.25Å |
| 440 | C | 98.9 | Very high | 97.8 | Very high | 0 Ų | 0 | 32.4 Ų | 32.4 | 0% | 0 | 18% | 0.175 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.9 | 105.4 | 177.6 | -179.5 | 0 | 0 | 0 | 0 | 109.4 | T388 L423 A426 K465 I466 I467 | T388-C440 CarbonylContact O-C 3.5Å; T388-C440 WeakPolarHBondContact O-CA 3.46Å; T388-C440 WeakPolarHBondContact OG1-CA 3.27Å; T388-C440 WeakPolarHBondContact OG1-CB 3.11Å; T388-C440 PolarHBondContact OG1-SG 2.91Å; L423-C440 PolarHBondContact N-SG 3.46Å; A426-C440 HydrophobicContact CB-CB 4.01Å; C440-K465 PolarHBondContact N-O 3.45Å; C440-I466 CarbonylContact O-C 3.54Å; C440-I466 WeakPolarHBondContact O-CA 3.35Å; C440-I467 PolarHBondContact O-N 3.46Å |
| 441 | F | 98.8 | Very high | 97.8 | Very high | 0 Ų | 0 | 33 Ų | 33 | 0% | 0 | 18% | 0.178 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.7 | 116.6 | 171.6 | -67.7 | -96.8 | 0 | 0 | 0 | 109.3 | I374 V377 I387 T388 T389 D390 H394 T398 Y402 L439 I467 M469 | I374-F441 HydrophobicContact CB-CE1 4.31Å; I374-F441 HydrophobicContact CG1-CD1 4.14Å; I374-F441 HydrophobicContact CG1-CE1 3.78Å; I374-F441 HydrophobicContact CG1-CZ 4.47Å; I374-F441 HydrophobicContact CG2-CZ 4.44Å; V377-F441 HydrophobicContact CB-CE1 4.24Å; V377-F441 HydrophobicContact CB-CZ 3.81Å; V377-F441 HydrophobicContact CG1-CE1 4.29Å; V377-F441 HydrophobicContact CG1-CE2 4.24Å; V377-F441 HydrophobicContact CG1-CZ 3.53Å; V377-F441 HydrophobicContact CG2-CE1 4.12Å; V377-F441 HydrophobicContact CG2-CZ 4.16Å; I387-F441 HydrophobicContact CG2-CD2 3.84Å; I387-F441 HydrophobicContact CG2-CE2 4Å; T388-F441 PolarHBondContact O-N 3.42Å; T389-F441 VanDerWaalsContact CA-O 3.29Å; T389-F441 WeakPolarHBondContact CA-O 3.14Å; T389-F441 HydrophobicContact CG2-CB 4.19Å; D390-F441 PolarHBondContact N-O 2.9Å; H394-F441 PolarHBondContact CD2-O 2.75Å; T398-F441 HydrophobicContact CG2-CB 4.44Å; T398-F441 HydrophobicContact CG2-CD2 3.71Å; T398-F441 HydrophobicContact CG2-CE2 4Å; T398-F441 HydrophobicContact CG2-CG 4Å; Y402-F441 HydrophobicContact CD2-CE2 4.05Å; Y402-F441 HydrophobicContact CD2-CZ 4.14Å; Y402-F441 HydrophobicContact CE2-CE2 4.22Å; Y402-F441 HydrophobicContact CE2-CZ 4.36Å; L439-F441 HydrophobicContact CB-CE2 4.26Å; F441-I467 HydrophobicContact CD1-CB 3.82Å; F441-I467 HydrophobicContact CD1-CG1 4.43Å; F441-I467 HydrophobicContact CD1-CG2 3.75Å; F441-I467 HydrophobicContact CE1-CB 4.08Å; F441-I467 HydrophobicContact CE1-CG1 4.25Å; F441-I467 HydrophobicContact CE1-CG2 3.87Å; F441-I467 HydrophobicContact CE2-CD1 4.47Å; F441-I467 HydrophobicContact CG-CB 4.33Å; F441-I467 HydrophobicContact CZ-CD1 4.44Å; F441-M469 HydrophobicContact CD1-SD 4.38Å |
| 442 | S | 98.8 | Very high | 97.8 | Very high | 0 Ų | 0 | 34.4 Ų | 34.4 | 0% | 0 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.9 | 147.8 | -175.7 | -170.8 | 0 | 0 | 0 | 0 | 111.4 | D390 L447 I467 L468 M469 | D390-S442 WeakPolarHBondContact OD2-CB 3.08Å; D390-S442 PolarHBondContact OD2-OG 3.42Å; S442-L447 WeakPolarHBondContact OG-CB 3.02Å; S442-L447 PolarHBondContact OG-N 2.95Å; S442-I467 PolarHBondContact N-O 2.9Å; S442-L468 WeakPolarHBondContact O-CA 3.48Å; S442-M469 PolarHBondContact O-N 3.07Å |
| 443 | G | 98.2 | Very high | 97.9 | Very high | 5 Ų | 5 | 32.6 Ų | 32.6 | 5% | 0.052 | 17% | 0.169 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.3 | 155.5 | 166.9 | 0 | 0 | 0 | 0 | 0 | 110.7 | H394 G445 S446 L447 | H394-G443 PolarHBondContact CE1-N 3.49Å; H394-G443 PolarHBondContact ND1-N 3.4Å; H394-G443 PolarHBondContact NE2-N 3.16Å; G443-G445 PolarHBondContact O-N 2.58Å; G443-S446 PolarHBondContact O-N 2.83Å; G443-S446 VanDerWaalsContact O-N 3.09Å; G443-L447 PolarHBondContact O-N 3Å |
| 444 | D | 97.7 | Very high | 97.9 | Very high | 4 Ų | 4 | 31.4 Ų | 31.4 | 2% | 0.021 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -56.4 | -45 | -177.9 | 52 | -63.8 | 0 | 0 | 0 | 113.4 | S446 M448 L468 N470 N471 E472 A473 Y494 F500 | D444-S446 VanDerWaalsContact C-N 3.32Å; D444-S446 PolarHBondContact O-N 2.94Å; D444-M448 WeakPolarHBondContact O-CG 3.25Å; D444-M448 PolarHBondContact O-N 2.58Å; D444-L468 HydrophobicContact CB-CD1 4.17Å; D444-N470 HydrophobicContact CB-CB 4.32Å; D444-N470 WeakPolarHBondContact CB-OD1 3.37Å; D444-N470 VanDerWaalsContact CG-OD1 3.31Å; D444-N471 PolarHBondContact OD1-N 3.29Å; D444-N471 PolarHBondContact OD1-OD1 2.89Å; D444-E472 VanDerWaalsContact OD2-CA 3.29Å; D444-E472 WeakPolarHBondContact OD2-CA 3.41Å; D444-E472 PolarHBondContact OD2-N 3.49Å; D444-A473 PolarHBondContact OD2-N 3.38Å; D444-Y494 WeakPolarHBondContact OD2-CD2 3.24Å; D444-Y494 WeakPolarHBondContact OD2-CE2 3.34Å; D444-F500 HydrophobicContact CB-CE2 3.87Å; D444-F500 HydrophobicContact CB-CZ 3.72Å |
| 445 | G | 97.2 | Very high | 98.1 | Very high | 6 Ų | 6 | 27.1 Ų | 27.1 | 6% | 0.062 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -63.1 | -35.7 | 176.1 | 0 | 0 | 0 | 0 | 0 | 113.7 | G443 Y494 | G443-G445 PolarHBondContact O-N 2.58Å; G445-Y494 WeakPolarHBondContact CA-OH 3.46Å |
| 446 | S | 98.5 | Very high | 98.2 | Very high | 4 Ų | 4 | 19.4 Ų | 19.4 | 3% | 0.028 | 10% | 0.095 | C | C | . | . | H | α-helix | trans | -78.8 | -43.9 | -179.6 | -50.9 | 0 | 0 | 0 | 0 | 112.4 | D390 V391 G420 G443 D444 M448 M449 | D390-S446 VanDerWaalsContact CG-CB 3.46Å; V391-S446 PolarHBondContact O-OG 2.65Å; V391-S446 VanDerWaalsContact O-OG 3.14Å; G420-S446 WeakPolarHBondContact CA-O 3.41Å; G443-S446 PolarHBondContact O-N 2.83Å; G443-S446 VanDerWaalsContact O-N 3.09Å; D444-S446 VanDerWaalsContact C-N 3.32Å; D444-S446 PolarHBondContact O-N 2.94Å; S446-M448 PolarHBondContact O-N 3.21Å; S446-M449 WeakPolarHBondContact O-CB 3.2Å; S446-M449 PolarHBondContact O-N 2.82Å |
| 447 | L | 98.5 | Very high | 98.4 | Very high | 2 Ų | 2 | 15.4 Ų | 15.4 | 1% | 0.01 | 8% | 0.08 | C | C | . | . | H | α-helix | trans | -56.9 | -40.3 | 179.1 | -175.9 | 59.6 | 0 | 0 | 0 | 111.1 | L423 S442 G443 M449 N450 I451 M454 I466 L468 F500 L535 | L423-L447 HydrophobicContact CB-CD1 4.42Å; L423-L447 HydrophobicContact CD2-CD1 4.1Å; S442-L447 WeakPolarHBondContact OG-CB 3.02Å; S442-L447 PolarHBondContact OG-N 2.95Å; G443-L447 PolarHBondContact O-N 3Å; L447-M449 PolarHBondContact O-N 3.21Å; L447-N450 PolarHBondContact O-N 2.62Å; L447-I451 WeakPolarHBondContact O-CA 3.29Å; L447-I451 WeakPolarHBondContact O-CB 3.43Å; L447-I451 PolarHBondContact O-N 2.75Å; L447-M454 HydrophobicContact CD1-CE 3.83Å; L447-M454 HydrophobicContact CD2-CE 3.74Å; L447-M454 HydrophobicContact CG-CE 4Å; L447-I466 HydrophobicContact CD1-CG2 4.06Å; L447-I466 HydrophobicContact CD2-CG2 4.2Å; L447-L468 HydrophobicContact CB-CD1 4.42Å; L447-L468 HydrophobicContact CD2-CB 4.47Å; L447-L468 HydrophobicContact CD2-CD1 3.87Å; L447-L468 HydrophobicContact CD2-CD2 4.03Å; L447-L468 HydrophobicContact CD2-CG 4.34Å; L447-F500 HydrophobicContact CD2-CD1 4.17Å; L447-F500 HydrophobicContact CD2-CE1 4.42Å; L447-L535 HydrophobicContact CD2-CD1 3.89Å |
| 448 | M | 97.6 | Very high | 98.4 | Very high | 81 Ų | 81 | 14.5 Ų | 14.5 | 40% | 0.399 | 8% | 0.079 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -59.7 | -23.7 | 177.9 | -79.1 | -56.8 | -58.2 | 0 | 0 | 114.3 | D444 S446 I451 I498 F500 | D444-M448 WeakPolarHBondContact O-CG 3.25Å; D444-M448 PolarHBondContact O-N 2.58Å; S446-M448 PolarHBondContact O-N 3.21Å; M448-I451 HydrophobicContact CE-CG2 4.48Å; M448-I451 HydrophobicContact SD-CD1 3.63Å; M448-I498 HydrophobicContact SD-CG2 4.42Å; M448-F500 HydrophobicContact CG-CE1 3.67Å; M448-F500 HydrophobicContact CG-CZ 3.87Å; M448-F500 HydrophobicContact SD-CD1 4.38Å; M448-F500 HydrophobicContact SD-CE1 3.54Å; M448-F500 VanDerWaalsContact SD-CE1 3.54Å; M448-F500 HydrophobicContact SD-CZ 4.12Å |
| 449 | M | 98.4 | Very high | 98.4 | Very high | 95 Ų | 95 | 20.8 Ų | 20.8 | 47% | 0.468 | 11% | 0.109 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -72.4 | -30.7 | -177.3 | -67.1 | -165.8 | 175.7 | 0 | 0 | 113.7 | M419 S446 L447 | M419-M449 HydrophobicContact CB-CE 3.79Å; M419-M449 HydrophobicContact CB-SD 3.29Å; M419-M449 WeakPolarHBondContact CB-SD 3.24Å; M419-M449 HydrophobicContact CE-CE 3.53Å; M419-M449 HydrophobicContact CE-SD 4.33Å; M419-M449 HydrophobicContact CG-CE 4.42Å; M419-M449 HydrophobicContact CG-SD 4.48Å; M419-M449 HydrophobicContact SD-CE 3.77Å; S446-M449 WeakPolarHBondContact O-CB 3.2Å; S446-M449 PolarHBondContact O-N 2.82Å; L447-M449 PolarHBondContact O-N 3.21Å |
| 450 | N | 98.6 | Very high | 98.4 | Very high | 3 Ų | 3 | 22.4 Ų | 22.4 | 2% | 0.016 | 12% | 0.117 | C | C | . | . | S | Bend | trans | -132.6 | 33.3 | 176 | -83.2 | -49.1 | 0 | 0 | 0 | 112.5 | Q61 G420 P424 L447 Q452 E453 | Q61-N450 PolarHBondContact OE1-ND2 3.32Å; Q61-N450 PolarHBondContact OE1-OD1 3.32Å; G420-N450 WeakPolarHBondContact O-CB 3.4Å; G420-N450 PolarHBondContact O-ND2 2.84Å; P424-N450 HydrophobicContact CG-CB 3.82Å; L447-N450 PolarHBondContact O-N 2.62Å; N450-Q452 VanDerWaalsContact CA-OE1 3.31Å; N450-Q452 PolarHBondContact O-N 3.3Å; N450-Q452 VanDerWaalsContact O-N 3.15Å; N450-Q452 PolarHBondContact OD1-NE2 3.03Å; N450-E453 HydrophobicContact CB-CG 4.4Å; N450-E453 PolarHBondContact O-N 3.12Å |
| 451 | I | 98.6 | Very high | 98.3 | Very high | 20 Ų | 20 | 30.2 Ų | 30.2 | 10% | 0.103 | 15% | 0.153 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -58.3 | -30 | -177.3 | -166.3 | 164.1 | 0 | 0 | 0 | 112.7 | L447 M448 E453 M454 F500 I503 F507 | L447-I451 WeakPolarHBondContact O-CA 3.29Å; L447-I451 WeakPolarHBondContact O-CB 3.43Å; L447-I451 PolarHBondContact O-N 2.75Å; M448-I451 HydrophobicContact CE-CG2 4.48Å; M448-I451 HydrophobicContact SD-CD1 3.63Å; I451-E453 PolarHBondContact O-N 3.24Å; I451-E453 VanDerWaalsContact O-N 3.13Å; I451-M454 HydrophobicContact CD1-CE 4.33Å; I451-M454 HydrophobicContact CG1-CE 3.84Å; I451-M454 HydrophobicContact CG1-SD 3.95Å; I451-M454 VanDerWaalsContact O-CB 3.3Å; I451-M454 WeakPolarHBondContact O-CB 3.45Å; I451-M454 VanDerWaalsContact O-CG 3.3Å; I451-M454 WeakPolarHBondContact O-CG 3.47Å; I451-M454 PolarHBondContact O-N 2.86Å; I451-F500 HydrophobicContact CD1-CD1 4.24Å; I451-F500 HydrophobicContact CD1-CE1 4.42Å; I451-I503 HydrophobicContact CD1-CD1 4.48Å; I451-I503 HydrophobicContact CD1-CG2 3.67Å; I451-I503 HydrophobicContact CG1-CG2 4.22Å; I451-F507 HydrophobicContact CG1-CE2 4.42Å |
| 452 | Q | 98.6 | Very high | 98.2 | Very high | 45 Ų | 45 | 31 Ų | 31 | 21% | 0.21 | 16% | 0.158 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -60.8 | -21.2 | 178.1 | 72.4 | -73.9 | -9.3 | 0 | 0 | 113.5 | R58 N450 M454 A455 | R58-Q452 HydrophobicContact CB-CB 3.87Å; R58-Q452 HydrophobicContact CB-CG 3.37Å; R58-Q452 HydrophobicContact CG-CB 4.41Å; R58-Q452 HydrophobicContact CG-CG 4.4Å; N450-Q452 VanDerWaalsContact CA-OE1 3.31Å; N450-Q452 PolarHBondContact O-N 3.3Å; N450-Q452 VanDerWaalsContact O-N 3.15Å; N450-Q452 PolarHBondContact OD1-NE2 3.03Å; Q452-M454 PolarHBondContact O-N 2.9Å; Q452-A455 WeakPolarHBondContact O-CB 3.33Å; Q452-A455 PolarHBondContact O-N 2.9Å; Q452-A455 VanDerWaalsContact O-N 3.16Å |
| 453 | E | 98.8 | Very high | 98.2 | Very high | 0 Ų | 0 | 32.8 Ų | 32.8 | 0% | 0 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -73.5 | -7.4 | 176.5 | -59 | -54.2 | 142.6 | 0 | 0 | 112.8 | R58 H59 L423 P424 I427 N450 I451 A455 T456 A457 | R58-E453 WeakPolarHBondContact CA-OE1 3.5Å; R58-E453 WeakPolarHBondContact CB-OE1 3.24Å; R58-E453 PolarHBondContact N-OE1 2.79Å; R58-E453 PolarHBondContact N-OE2 2.81Å; H59-E453 PolarHBondContact N-OE1 2.92Å; L423-E453 HydrophobicContact CD2-CB 4.26Å; L423-E453 HydrophobicContact CG-CB 4.34Å; P424-E453 HydrophobicContact CG-CB 4.48Å; P424-E453 HydrophobicContact CG-CG 4.08Å; I427-E453 HydrophobicContact CD1-CB 3.79Å; I427-E453 VanDerWaalsContact CD1-O 3.23Å; I427-E453 WeakPolarHBondContact CD1-O 3.38Å; N450-E453 HydrophobicContact CB-CG 4.4Å; N450-E453 PolarHBondContact O-N 3.12Å; I451-E453 PolarHBondContact O-N 3.24Å; I451-E453 VanDerWaalsContact O-N 3.13Å; E453-A455 PolarHBondContact O-N 3.32Å; E453-T456 WeakPolarHBondContact O-CA 3.33Å; E453-T456 WeakPolarHBondContact O-CB 3.46Å; E453-T456 PolarHBondContact O-N 3.32Å; E453-T456 WeakPolarHBondContact OE2-CB 3.32Å; E453-T456 PolarHBondContact OE2-OG1 2.88Å; E453-A457 PolarHBondContact O-N 2.81Å |
| 454 | M | 98.7 | Very high | 98.2 | Very high | 1 Ų | 1 | 32.6 Ų | 32.6 | 1% | 0.005 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -56.5 | -36.5 | 164.5 | -72.7 | -176.9 | -174.6 | 0 | 0 | 111.4 | L423 L447 I451 Q452 T456 A457 S458 I466 A504 F507 L509 L535 | L423-M454 HydrophobicContact CD2-CG 3.76Å; L447-M454 HydrophobicContact CD1-CE 3.83Å; L447-M454 HydrophobicContact CD2-CE 3.74Å; L447-M454 HydrophobicContact CG-CE 4Å; I451-M454 HydrophobicContact CD1-CE 4.33Å; I451-M454 HydrophobicContact CG1-CE 3.84Å; I451-M454 HydrophobicContact CG1-SD 3.95Å; I451-M454 VanDerWaalsContact O-CB 3.3Å; I451-M454 WeakPolarHBondContact O-CB 3.45Å; I451-M454 VanDerWaalsContact O-CG 3.3Å; I451-M454 WeakPolarHBondContact O-CG 3.47Å; I451-M454 PolarHBondContact O-N 2.86Å; Q452-M454 PolarHBondContact O-N 2.9Å; M454-T456 VanDerWaalsContact C-N 3.32Å; M454-T456 PolarHBondContact O-N 2.9Å; M454-A457 PolarHBondContact O-N 2.87Å; M454-S458 WeakPolarHBondContact O-CB 3.45Å; M454-S458 PolarHBondContact O-N 3.29Å; M454-I466 HydrophobicContact CE-CD1 3.83Å; M454-I466 HydrophobicContact CG-CD1 4.07Å; M454-A504 HydrophobicContact SD-CB 3.91Å; M454-F507 HydrophobicContact CB-CB 3.86Å; M454-F507 HydrophobicContact CB-CD2 3.68Å; M454-F507 HydrophobicContact CB-CE2 4.38Å; M454-F507 HydrophobicContact CB-CG 3.85Å; M454-F507 HydrophobicContact CG-CD2 4.43Å; M454-F507 HydrophobicContact SD-CD2 4.04Å; M454-L509 HydrophobicContact CB-CD1 3.83Å; M454-L509 HydrophobicContact CB-CD2 4.32Å; M454-L509 HydrophobicContact CG-CD1 4.42Å; M454-L509 HydrophobicContact CG-CD2 4.03Å; M454-L509 HydrophobicContact SD-CD2 4.17Å; M454-L535 HydrophobicContact CE-CD1 3.88Å |
| 455 | A | 98.6 | Very high | 98.2 | Very high | 11 Ų | 11 | 32.4 Ų | 32.4 | 9% | 0.091 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -61.1 | -41.8 | 172.1 | 0 | 0 | 0 | 0 | 0 | 111.5 | R58 Q452 E453 S458 E459 F507 | R58-A455 HydrophobicContact CG-CB 4.33Å; Q452-A455 WeakPolarHBondContact O-CB 3.33Å; Q452-A455 PolarHBondContact O-N 2.9Å; Q452-A455 VanDerWaalsContact O-N 3.16Å; E453-A455 PolarHBondContact O-N 3.32Å; A455-S458 PolarHBondContact O-N 3.45Å; A455-E459 WeakPolarHBondContact O-CB 3.45Å; A455-E459 WeakPolarHBondContact O-CG 3.43Å; A455-E459 PolarHBondContact O-N 2.97Å; A455-F507 HydrophobicContact CB-CD1 3.65Å; A455-F507 HydrophobicContact CB-CE1 3.98Å |
| 456 | T | 98.7 | Very high | 98.3 | Very high | 0 Ų | 0 | 32.2 Ų | 32.2 | 0% | 0 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -62.9 | -42.3 | 176.5 | -54.1 | 0 | 0 | 0 | 0 | 111.6 | I55 R58 I66 I427 E453 M454 N460 | I55-T456 HydrophobicContact CG2-CG2 3.9Å; R58-T456 WeakPolarHBondContact CD-OG1 3.37Å; R58-T456 PolarHBondContact NH1-OG1 3.04Å; I66-T456 HydrophobicContact CD1-CG2 4.1Å; I427-T456 HydrophobicContact CD1-CG2 4.43Å; I427-T456 HydrophobicContact CG2-CG2 4.09Å; E453-T456 WeakPolarHBondContact O-CA 3.33Å; E453-T456 WeakPolarHBondContact O-CB 3.46Å; E453-T456 PolarHBondContact O-N 3.32Å; E453-T456 WeakPolarHBondContact OE2-CB 3.32Å; E453-T456 PolarHBondContact OE2-OG1 2.88Å; M454-T456 VanDerWaalsContact C-N 3.32Å; M454-T456 PolarHBondContact O-N 2.9Å; T456-N460 WeakPolarHBondContact O-CB 3.46Å; T456-N460 PolarHBondContact O-N 3.38Å; T456-N460 PolarHBondContact O-ND2 3.2Å |
| 457 | A | 98.6 | Very high | 98.3 | Very high | 1 Ų | 1 | 32 Ų | 32 | 1% | 0.008 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -63.1 | -46.3 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | I427 E453 M454 Q461 L462 P533 | I427-A457 HydrophobicContact CD1-CB 4.08Å; I427-A457 HydrophobicContact CG1-CB 3.97Å; E453-A457 PolarHBondContact O-N 2.81Å; M454-A457 PolarHBondContact O-N 2.87Å; A457-Q461 PolarHBondContact O-N 3.07Å; A457-Q461 VanDerWaalsContact O-N 3.08Å; A457-L462 PolarHBondContact O-N 3.46Å; A457-P533 HydrophobicContact CB-CB 4.11Å; A457-P533 HydrophobicContact CB-CG 4.47Å |
| 458 | S | 98.4 | Very high | 98.4 | Very high | 27 Ų | 27 | 31.9 Ų | 31.9 | 19% | 0.189 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -66 | -50.7 | -177.7 | -173.3 | 0 | 0 | 0 | 0 | 113.1 | M454 A455 N460 Q461 F507 G508 | M454-S458 WeakPolarHBondContact O-CB 3.45Å; M454-S458 PolarHBondContact O-N 3.29Å; A455-S458 PolarHBondContact O-N 3.45Å; S458-N460 PolarHBondContact O-N 2.95Å; S458-Q461 WeakPolarHBondContact O-CA 3.43Å; S458-Q461 PolarHBondContact O-N 3.4Å; S458-F507 WeakPolarHBondContact CB-O 3.5Å; S458-F507 PolarHBondContact OG-O 3.04Å; S458-F507 VanDerWaalsContact OG-O 3.11Å; S458-G508 PolarHBondContact OG-O 3.17Å |
| 459 | E | 98 | Very high | 98.4 | Very high | 132 Ų | 132 | 28.2 Ų | 28.2 | 62% | 0.617 | 14% | 0.142 | S | C | * | . | H | α-helix | trans | -65.6 | -23.9 | -178.2 | -70.8 | 178.6 | -159.9 | 0 | 0 | 113.2 | R58 A455 | R58-E459 IonicContact CZ-OE1 3.81Å; R58-E459 IonicContact CZ-OE2 3.43Å; R58-E459 IonicContact NH1-OE2 3Å; R58-E459 IonicContact NH2-OE1 2.9Å; R58-E459 PolarHBondContact NH2-OE1 3.28Å; R58-E459 IonicContact NH2-OE2 3.97Å; R58-E459 PolarHBondContact NH2-OE2 3.29Å; A455-E459 WeakPolarHBondContact O-CB 3.45Å; A455-E459 WeakPolarHBondContact O-CG 3.43Å; A455-E459 PolarHBondContact O-N 2.97Å |
| 460 | N | 97.8 | Very high | 98.4 | Very high | 33 Ų | 33 | 24.3 Ų | 24.3 | 18% | 0.176 | 12% | 0.122 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -95.6 | 2.2 | 173.3 | -67.7 | -81.4 | 0 | 0 | 0 | 113.2 | R53 I55 T456 S458 L462 | R53-N460 PolarHBondContact NH2-OD1 3.3Å; I55-N460 WeakPolarHBondContact CD1-OD1 3.4Å; T456-N460 WeakPolarHBondContact O-CB 3.46Å; T456-N460 PolarHBondContact O-N 3.38Å; T456-N460 PolarHBondContact O-ND2 3.2Å; S458-N460 PolarHBondContact O-N 2.95Å; N460-L462 HydrophobicContact CB-CD1 4.07Å; N460-L462 HydrophobicContact CB-CD2 4.06Å; N460-L462 HydrophobicContact CB-CG 3.73Å; N460-L462 PolarHBondContact O-N 3.31Å |
| 461 | Q | 97 | Very high | 98.2 | Very high | 164 Ų | 164 | 24.9 Ų | 24.9 | 77% | 0.766 | 13% | 0.126 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 49.5 | 40.5 | -179.5 | -62.2 | -176.1 | -18.8 | 0 | 0 | 113.6 | A457 S458 | A457-Q461 PolarHBondContact O-N 3.07Å; A457-Q461 VanDerWaalsContact O-N 3.08Å; S458-Q461 WeakPolarHBondContact O-CA 3.43Å; S458-Q461 PolarHBondContact O-N 3.4Å |
| 462 | L | 98.1 | Very high | 98.1 | Very high | 17 Ų | 17 | 27.6 Ų | 27.6 | 9% | 0.089 | 14% | 0.138 | C | C | . | . | trans | -78.4 | 138 | -175.4 | -57.5 | 177.1 | 0 | 0 | 0 | 111.1 | I427 A430 L431 A457 N460 V464 G532 P533 | I427-L462 HydrophobicContact CB-CD1 4.2Å; I427-L462 HydrophobicContact CG1-CD1 4.38Å; I427-L462 HydrophobicContact CG2-CD1 3.63Å; A430-L462 HydrophobicContact CB-CB 4.08Å; A430-L462 HydrophobicContact CB-CD1 4.43Å; A430-L462 HydrophobicContact CB-CD2 4.48Å; L431-L462 HydrophobicContact CD1-CD1 4.43Å; L431-L462 HydrophobicContact CD2-CD1 4.15Å; L431-L462 HydrophobicContact CD2-CD2 3.84Å; L431-L462 HydrophobicContact CG-CD1 3.87Å; L431-L462 HydrophobicContact CG-CD2 4.16Å; A457-L462 PolarHBondContact O-N 3.46Å; N460-L462 HydrophobicContact CB-CD1 4.07Å; N460-L462 HydrophobicContact CB-CD2 4.06Å; N460-L462 HydrophobicContact CB-CG 3.73Å; N460-L462 PolarHBondContact O-N 3.31Å; L462-V464 HydrophobicContact CB-CG2 4.05Å; L462-V464 PolarHBondContact O-N 2.81Å; L462-G532 CarbonylContact O-C 3.54Å; L462-P533 WeakPolarHBondContact O-CA 3.42Å; L462-P533 VanDerWaalsContact O-CB 3.32Å; L462-P533 WeakPolarHBondContact O-CB 3.35Å; L462-P533 VanDerWaalsContact O-CD 3.22Å; L462-P533 WeakPolarHBondContact O-CD 3.23Å | ||
| 463 | D | 97.3 | Very high | 97.9 | Very high | 37 Ų | 37 | 25.7 Ų | 25.7 | 20% | 0.198 | 13% | 0.129 | C | C | . | . | trans | -80.2 | 61.9 | -179.6 | -161.2 | 9.1 | 0 | 0 | 0 | 112.3 | K437 V438 K465 | K437-D463 VanDerWaalsContact CD-OD2 3.27Å; K437-D463 WeakPolarHBondContact CD-OD2 3.48Å; K437-D463 VanDerWaalsContact CE-OD2 3.25Å; K437-D463 WeakPolarHBondContact CE-OD2 3.26Å; K437-D463 IonicContact NZ-OD1 3.5Å; K437-D463 IonicContact NZ-OD2 3.7Å; K437-D463 PolarHBondContact NZ-OD2 3.01Å; V438-D463 PolarHBondContact N-O 2.88Å; D463-K465 WeakPolarHBondContact OD1-CE 3.43Å; D463-K465 IonicContact OD1-NZ 2.58Å; D463-K465 PolarHBondContact OD1-NZ 2.9Å | ||
| 464 | V | 98.6 | Very high | 97.8 | Very high | 1 Ų | 1 | 27.9 Ų | 27.9 | 1% | 0.006 | 14% | 0.141 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.1 | 119.7 | 179.1 | 176.9 | 0 | 0 | 0 | 0 | 109.8 | L423 A426 A430 V438 L462 I466 P533 A534 | L423-V464 HydrophobicContact CD1-CG1 4.32Å; A426-V464 HydrophobicContact CB-CG1 3.66Å; A426-V464 HydrophobicContact CB-CG2 4.32Å; A430-V464 HydrophobicContact CB-CG2 3.77Å; V438-V464 HydrophobicContact CB-CG2 4.45Å; L462-V464 HydrophobicContact CB-CG2 4.05Å; L462-V464 PolarHBondContact O-N 2.81Å; V464-I466 HydrophobicContact CG1-CG1 4.27Å; V464-P533 VanDerWaalsContact O-CA 3.25Å; V464-P533 WeakPolarHBondContact O-CA 3.47Å; V464-A534 PolarHBondContact O-N 3.49Å |
| 465 | K | 98.7 | Very high | 97.7 | Very high | 1 Ų | 1 | 28.1 Ų | 28.1 | 0% | 0.004 | 14% | 0.144 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.2 | 117.4 | 174.4 | -47.2 | -54.8 | 177.5 | -168.7 | 0 | 109.3 | V438 L439 C440 D463 I467 I528 R530 G532 A534 I536 | V438-K465 PolarHBondContact O-N 3.4Å; L439-K465 CarbonylContact C-O 3.55Å; L439-K465 WeakPolarHBondContact CA-O 3.31Å; L439-K465 HydrophobicContact CD2-CB 3.78Å; L439-K465 HydrophobicContact CD2-CG 3.89Å; C440-K465 PolarHBondContact N-O 3.45Å; D463-K465 WeakPolarHBondContact OD1-CE 3.43Å; D463-K465 IonicContact OD1-NZ 2.58Å; D463-K465 PolarHBondContact OD1-NZ 2.9Å; K465-I467 HydrophobicContact CB-CD1 4.32Å; K465-I467 WeakPolarHBondContact O-CD1 3.4Å; K465-I528 WeakPolarHBondContact CE-O 3.49Å; K465-I528 HydrophobicContact CG-CG1 4.45Å; K465-R530 PolarHBondContact NZ-O 3.13Å; K465-G532 PolarHBondContact NZ-O 3.08Å; K465-A534 HydrophobicContact CD-CB 4.04Å; K465-I536 HydrophobicContact CB-CD1 4.26Å |
| 466 | I | 98.9 | Very high | 97.4 | Very high | 1 Ų | 1 | 29.6 Ų | 29.6 | 1% | 0.005 | 15% | 0.15 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95 | 109.6 | 177.6 | -53.4 | 169 | 0 | 0 | 0 | 107.6 | L423 C440 L447 M454 V464 L468 L509 A534 L535 I536 | L423-I466 HydrophobicContact CD1-CD1 3.65Å; L423-I466 HydrophobicContact CD1-CG1 4.05Å; L423-I466 HydrophobicContact CD2-CD1 4.22Å; C440-I466 CarbonylContact O-C 3.54Å; C440-I466 WeakPolarHBondContact O-CA 3.35Å; L447-I466 HydrophobicContact CD1-CG2 4.06Å; L447-I466 HydrophobicContact CD2-CG2 4.2Å; M454-I466 HydrophobicContact CE-CD1 3.83Å; M454-I466 HydrophobicContact CG-CD1 4.07Å; V464-I466 HydrophobicContact CG1-CG1 4.27Å; I466-L468 PolarHBondContact O-N 3.29Å; I466-L509 HydrophobicContact CD1-CD2 3.85Å; I466-A534 PolarHBondContact N-O 3.13Å; I466-L535 HydrophobicContact CB-CD1 3.95Å; I466-L535 HydrophobicContact CD1-CD1 4.48Å; I466-L535 HydrophobicContact CG2-CD1 3.72Å; I466-I536 PolarHBondContact O-N 2.94Å |
| 467 | I | 98.8 | Very high | 97.2 | Very high | 0 Ų | 0 | 32.9 Ų | 32.9 | 0% | 0 | 17% | 0.17 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91 | 98.5 | 173.3 | -60.5 | 88.3 | 0 | 0 | 0 | 107 | L373 V377 L439 C440 F441 S442 K465 M469 I536 | L373-I467 HydrophobicContact CD1-CG2 4.26Å; L373-I467 HydrophobicContact CD2-CG2 3.68Å; L373-I467 HydrophobicContact CG-CG2 4.04Å; V377-I467 HydrophobicContact CG1-CD1 4.19Å; V377-I467 HydrophobicContact CG1-CG1 4.35Å; V377-I467 HydrophobicContact CG2-CG1 3.92Å; V377-I467 HydrophobicContact CG2-CG2 4.4Å; L439-I467 HydrophobicContact CB-CD1 3.96Å; L439-I467 HydrophobicContact CD2-CD1 4.25Å; C440-I467 PolarHBondContact O-N 3.46Å; F441-I467 HydrophobicContact CD1-CB 3.82Å; F441-I467 HydrophobicContact CD1-CG1 4.43Å; F441-I467 HydrophobicContact CD1-CG2 3.75Å; F441-I467 HydrophobicContact CE1-CB 4.08Å; F441-I467 HydrophobicContact CE1-CG1 4.25Å; F441-I467 HydrophobicContact CE1-CG2 3.87Å; F441-I467 HydrophobicContact CE2-CD1 4.47Å; F441-I467 HydrophobicContact CG-CB 4.33Å; F441-I467 HydrophobicContact CZ-CD1 4.44Å; S442-I467 PolarHBondContact N-O 2.9Å; K465-I467 HydrophobicContact CB-CD1 4.32Å; K465-I467 WeakPolarHBondContact O-CD1 3.4Å; I467-M469 HydrophobicContact CG2-CG 4.5Å; I467-M469 PolarHBondContact O-N 2.76Å; I467-I536 HydrophobicContact CG1-CD1 4.3Å |
| 468 | L | 98.7 | Very high | 96.9 | Very high | 0 Ų | 0 | 33.3 Ų | 33.3 | 0% | 0 | 17% | 0.172 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.3 | 105 | -179.5 | 174.6 | 59 | 0 | 0 | 0 | 110.1 | S442 D444 L447 I466 N470 F500 L535 I536 V538 | S442-L468 WeakPolarHBondContact O-CA 3.48Å; D444-L468 HydrophobicContact CB-CD1 4.17Å; L447-L468 HydrophobicContact CB-CD1 4.42Å; L447-L468 HydrophobicContact CD2-CB 4.47Å; L447-L468 HydrophobicContact CD2-CD1 3.87Å; L447-L468 HydrophobicContact CD2-CD2 4.03Å; L447-L468 HydrophobicContact CD2-CG 4.34Å; I466-L468 PolarHBondContact O-N 3.29Å; L468-N470 HydrophobicContact CD1-CB 4.5Å; L468-N470 HydrophobicContact CG-CB 4.15Å; L468-N470 PolarHBondContact O-N 2.83Å; L468-F500 HydrophobicContact CD2-CB 3.57Å; L468-F500 HydrophobicContact CD2-CD1 3.85Å; L468-F500 HydrophobicContact CD2-CD2 3.73Å; L468-F500 HydrophobicContact CD2-CE1 4.45Å; L468-F500 HydrophobicContact CD2-CE2 4.35Å; L468-F500 HydrophobicContact CD2-CG 3.44Å; L468-F500 VanDerWaalsContact CD2-CG 3.44Å; L468-L535 HydrophobicContact CB-CD1 4.09Å; L468-L535 HydrophobicContact CD2-CD1 4.33Å; L468-L535 HydrophobicContact CD2-CD2 4.48Å; L468-I536 PolarHBondContact N-O 3.34Å; L468-V538 PolarHBondContact O-N 3.23Å |
| 469 | M | 98.3 | Very high | 96.6 | Very high | 4 Ų | 4 | 32 Ų | 32 | 2% | 0.02 | 16% | 0.163 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.2 | 82.7 | 172.4 | -61 | -174.9 | 77.2 | 0 | 0 | 108.9 | H370 L373 I374 H394 W397 F441 S442 I467 N471 I540 | H370-M469 HydrophobicContact CB-CE 3.65Å; H370-M469 VanDerWaalsContact O-CE 3.25Å; H370-M469 WeakPolarHBondContact O-CE 3.49Å; L373-M469 HydrophobicContact CD2-CE 4.46Å; L373-M469 HydrophobicContact CD2-CG 3.93Å; I374-M469 HydrophobicContact CD1-CE 4.41Å; H394-M469 HydrophobicContact CB-CB 4.22Å; H394-M469 HydrophobicContact CB-CG 4.36Å; H394-M469 HydrophobicContact CB-SD 3.56Å; H394-M469 VanDerWaalsContact CB-SD 3.56Å; W397-M469 HydrophobicContact CE3-CE 3.68Å; W397-M469 HydrophobicContact CE3-SD 4.49Å; W397-M469 HydrophobicContact CZ3-CE 4.15Å; F441-M469 HydrophobicContact CD1-SD 4.38Å; S442-M469 PolarHBondContact O-N 3.07Å; I467-M469 HydrophobicContact CG2-CG 4.5Å; I467-M469 PolarHBondContact O-N 2.76Å; M469-N471 PolarHBondContact O-N 2.97Å; M469-I540 HydrophobicContact CB-CG1 3.96Å; M469-I540 HydrophobicContact CE-CD1 4.24Å; M469-I540 HydrophobicContact CE-CG1 4.19Å |
| 470 | N | 97.8 | Very high | 96.1 | Very high | 12 Ų | 12 | 28.8 Ų | 28.8 | 6% | 0.064 | 15% | 0.148 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.4 | 107.3 | -173.4 | -176.8 | 1.6 | 0 | 0 | 0 | 110.5 | D444 L468 E472 H537 V538 R539 I540 | D444-N470 HydrophobicContact CB-CB 4.32Å; D444-N470 WeakPolarHBondContact CB-OD1 3.37Å; D444-N470 VanDerWaalsContact CG-OD1 3.31Å; L468-N470 HydrophobicContact CD1-CB 4.5Å; L468-N470 HydrophobicContact CG-CB 4.15Å; L468-N470 PolarHBondContact O-N 2.83Å; N470-E472 WeakPolarHBondContact OD1-CG 3.33Å; N470-E472 PolarHBondContact OD1-N 3.25Å; N470-H537 VanDerWaalsContact CB-NE2 3.3Å; N470-H537 WeakPolarHBondContact CB-NE2 3.43Å; N470-H537 PolarHBondContact ND2-NE2 3.16Å; N470-H537 VanDerWaalsContact ND2-NE2 3.16Å; N470-V538 PolarHBondContact N-O 3.31Å; N470-R539 CarbonylContact O-C 3.49Å; N470-R539 WeakPolarHBondContact O-CA 3.46Å; N470-I540 PolarHBondContact O-N 2.95Å |
| 471 | N | 95.9 | Very high | 95.7 | Very high | 16 Ų | 16 | 28.9 Ų | 28.9 | 9% | 0.086 | 15% | 0.147 | C | C | . | . | trans | -109.4 | 11.4 | 173.3 | 65.6 | 2 | 0 | 0 | 0 | 113 | Q393 D444 M469 A473 I540 | Q393-N471 PolarHBondContact OE1-ND2 2.93Å; D444-N471 PolarHBondContact OD1-N 3.29Å; D444-N471 PolarHBondContact OD1-OD1 2.89Å; M469-N471 PolarHBondContact O-N 2.97Å; N471-A473 PolarHBondContact O-N 3.26Å; N471-A473 VanDerWaalsContact O-N 3.11Å; N471-A473 PolarHBondContact OD1-N 3.06Å; N471-A473 PolarHBondContact OD1-O 3.11Å; N471-I540 VanDerWaalsContact CA-O 3.24Å; N471-I540 WeakPolarHBondContact CA-O 3.44Å; N471-I540 HydrophobicContact CB-CB 4.1Å; N471-I540 HydrophobicContact CB-CG2 4.37Å; N471-I540 VanDerWaalsContact CB-O 3.3Å; N471-I540 WeakPolarHBondContact CB-O 3.49Å | ||
| 472 | E | 96.2 | Very high | 95.1 | Very high | 77 Ų | 77 | 21.3 Ų | 21.3 | 36% | 0.36 | 11% | 0.112 | S | C | . | . | S | Bend | trans | 51.6 | 34.3 | -179.3 | -54.4 | -174.9 | 161.9 | 0 | 0 | 112.2 | D444 N470 T493 Y494 G496 | D444-E472 VanDerWaalsContact OD2-CA 3.29Å; D444-E472 WeakPolarHBondContact OD2-CA 3.41Å; D444-E472 PolarHBondContact OD2-N 3.49Å; N470-E472 WeakPolarHBondContact OD1-CG 3.33Å; N470-E472 PolarHBondContact OD1-N 3.25Å; E472-T493 CarbonylContact O-C 3.59Å; E472-Y494 PolarHBondContact O-N 3.41Å; E472-G496 WeakPolarHBondContact OE1-CA 3.3Å; E472-G496 WeakPolarHBondContact OE2-CA 3.33Å |
| 473 | A | 94.7 | Very high | 94.4 | Very high | 4 Ų | 4 | 23.2 Ų | 23.2 | 3% | 0.033 | 12% | 0.122 | C | C | . | . | B | Isolated β-bridge | trans | -152.9 | 157.3 | -175.3 | 0 | 0 | 0 | 0 | 0 | 113 | D444 N471 G475 A492 T493 | D444-A473 PolarHBondContact OD2-N 3.38Å; N471-A473 PolarHBondContact O-N 3.26Å; N471-A473 VanDerWaalsContact O-N 3.11Å; N471-A473 PolarHBondContact OD1-N 3.06Å; N471-A473 PolarHBondContact OD1-O 3.11Å; A473-G475 PolarHBondContact O-N 2.85Å; A473-A492 CarbonylContact C-O 3.5Å; A473-A492 VanDerWaalsContact CA-O 3.23Å; A473-A492 WeakPolarHBondContact CA-O 3.28Å; A473-A492 VanDerWaalsContact CB-O 3.29Å; A473-A492 WeakPolarHBondContact CB-O 3.48Å; A473-T493 HydrophobicContact CB-CG2 4.39Å |
| 474 | L | 96.7 | Very high | 93.7 | Very high | 46 Ų | 46 | 25.3 Ų | 25.3 | 24% | 0.241 | 13% | 0.13 | C | C | . | . | trans | -76.4 | 70.7 | 158 | -65.1 | 179.3 | 0 | 0 | 0 | 108.5 | M419 L476 V477 H478 A492 Y494 | M419-L474 HydrophobicContact CE-CD2 3.57Å; M419-L474 HydrophobicContact SD-CD2 4.44Å; L474-L476 VanDerWaalsContact C-N 3.28Å; L474-L476 PolarHBondContact O-N 3.26Å; L474-V477 HydrophobicContact CB-CB 4.09Å; L474-V477 HydrophobicContact CB-CG2 4.21Å; L474-V477 WeakPolarHBondContact O-CA 3.49Å; L474-V477 WeakPolarHBondContact O-CB 3.2Å; L474-V477 PolarHBondContact O-N 3.35Å; L474-H478 PolarHBondContact O-N 3.49Å; L474-A492 HydrophobicContact CB-CB 4.39Å; L474-A492 PolarHBondContact N-O 3.35Å; L474-Y494 HydrophobicContact CD2-CE2 4.43Å; L474-Y494 VanDerWaalsContact CD2-OH 3.23Å; L474-Y494 WeakPolarHBondContact CD2-OH 3.39Å | ||
| 475 | G | 95 | Very high | 92.8 | Very high | 7 Ų | 7 | 32.4 Ų | 32.4 | 7% | 0.072 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -50.6 | -36.5 | -162.6 | 0 | 0 | 0 | 0 | 0 | 116.5 | Q393 A473 H478 Q479 | Q393-G475 VanDerWaalsContact CD-O 3.27Å; Q393-G475 PolarHBondContact NE2-O 2.94Å; Q393-G475 PolarHBondContact OE1-O 3.17Å; A473-G475 PolarHBondContact O-N 2.85Å; G475-H478 WeakPolarHBondContact O-CB 3.38Å; G475-H478 PolarHBondContact O-N 3.33Å; G475-Q479 WeakPolarHBondContact O-CB 3.36Å; G475-Q479 PolarHBondContact O-N 3.44Å |
| 476 | L | 93.9 | Very high | 91.7 | Very high | 42 Ų | 42 | 41.5 Ų | 41.5 | 22% | 0.22 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -73.9 | -35.5 | 179 | -169.9 | 65.7 | 0 | 0 | 0 | 112 | Q393 L474 Q480 | Q393-L476 HydrophobicContact CG-CB 4.15Å; Q393-L476 HydrophobicContact CG-CD1 4.32Å; L474-L476 VanDerWaalsContact C-N 3.28Å; L474-L476 PolarHBondContact O-N 3.26Å; L476-Q480 PolarHBondContact O-N 2.8Å |
| 477 | V | 94.1 | Very high | 90.3 | Very high | 69 Ų | 69 | 47 Ų | 47 | 42% | 0.418 | 23% | 0.226 | S | C | . | . | H | α-helix | trans | -68.6 | -44.3 | 172.7 | -179.2 | 0 | 0 | 0 | 0 | 109.6 | L474 Q479 Q480 Q481 A492 | L474-V477 HydrophobicContact CB-CB 4.09Å; L474-V477 HydrophobicContact CB-CG2 4.21Å; L474-V477 WeakPolarHBondContact O-CA 3.49Å; L474-V477 WeakPolarHBondContact O-CB 3.2Å; L474-V477 PolarHBondContact O-N 3.35Å; V477-Q479 PolarHBondContact O-N 3.17Å; V477-Q480 PolarHBondContact O-N 2.98Å; V477-Q481 HydrophobicContact CG1-CG 4.47Å; V477-Q481 WeakPolarHBondContact O-CG 3.24Å; V477-Q481 PolarHBondContact O-N 3.02Å; V477-A492 HydrophobicContact CB-CB 4.37Å; V477-A492 HydrophobicContact CG1-CB 4.07Å |
| 478 | H | 92.3 | Very high | 89.2 | Confident | 9 Ų | 9 | 49.2 Ų | 49.2 | 4% | 0.042 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -52.8 | -51.8 | 173.3 | -175.7 | -102.3 | 0 | 0 | 0 | 111.1 | L474 G475 Q480 Q481 S482 V489 A492 A542 E543 K545 | L474-H478 PolarHBondContact O-N 3.49Å; G475-H478 WeakPolarHBondContact O-CB 3.38Å; G475-H478 PolarHBondContact O-N 3.33Å; H478-Q480 PolarHBondContact O-N 3.07Å; H478-Q481 PolarHBondContact O-N 3.08Å; H478-S482 WeakPolarHBondContact O-CB 3.27Å; H478-S482 PolarHBondContact O-N 3.28Å; H478-S482 PolarHBondContact O-OG 3.16Å; H478-S482 VanDerWaalsContact O-OG 3.11Å; H478-V489 WeakPolarHBondContact CD2-CG1 3.18Å; H478-A492 HydrophobicContact CB-CB 4.44Å; H478-A542 PolarHBondContact CE1-O 3.25Å; H478-A542 PolarHBondContact ND1-O 3.07Å; H478-E543 IonicContact CE1-OE1 3.09Å; H478-K545 PolarHBondContact CE1-NZ 3.49Å; H478-K545 PolarHBondContact ND1-NZ 3.2Å |
| 479 | Q | 91.1 | Very high | 88.5 | Confident | 0 Ų | 0 | 51.5 Ų | 51.5 | 0% | 0 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -56.6 | -43.6 | 176.6 | 173.8 | 170.7 | -21.2 | 0 | 0 | 113.2 | G475 V477 S482 L483 K545 V546 M549 | G475-Q479 WeakPolarHBondContact O-CB 3.36Å; G475-Q479 PolarHBondContact O-N 3.44Å; V477-Q479 PolarHBondContact O-N 3.17Å; Q479-S482 PolarHBondContact O-N 3.38Å; Q479-L483 HydrophobicContact CG-CD1 3.78Å; Q479-L483 HydrophobicContact CG-CG 4.44Å; Q479-L483 WeakPolarHBondContact O-CB 3.4Å; Q479-L483 VanDerWaalsContact O-CG 3.27Å; Q479-L483 WeakPolarHBondContact O-CG 3.34Å; Q479-L483 PolarHBondContact O-N 2.8Å; Q479-K545 HydrophobicContact CB-CD 3.95Å; Q479-K545 HydrophobicContact CG-CB 4.19Å; Q479-K545 HydrophobicContact CG-CD 3.99Å; Q479-K545 HydrophobicContact CG-CG 4.36Å; Q479-V546 PolarHBondContact NE2-O 2.67Å; Q479-M549 PolarHBondContact NE2-SD 3.43Å |
| 480 | Q | 88.7 | Confident | 88 | Confident | 64 Ų | 64 | 58.9 Ų | 58.9 | 30% | 0.299 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -67.6 | -42.6 | 178.7 | -72.1 | -171.9 | 40.6 | 0 | 0 | 112.3 | L476 V477 H478 S482 L483 F484 M549 | L476-Q480 PolarHBondContact O-N 2.8Å; V477-Q480 PolarHBondContact O-N 2.98Å; H478-Q480 PolarHBondContact O-N 3.07Å; Q480-S482 VanDerWaalsContact C-N 3.35Å; Q480-L483 PolarHBondContact O-N 3.14Å; Q480-F484 HydrophobicContact CB-CD2 4.4Å; Q480-F484 WeakPolarHBondContact O-CD2 3.18Å; Q480-F484 PolarHBondContact O-N 2.93Å; Q480-M549 HydrophobicContact CG-CE 4.43Å |
| 481 | Q | 88.3 | Confident | 87.7 | Confident | 35 Ų | 35 | 62.1 Ų | 62.1 | 16% | 0.164 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -60.8 | -44.7 | 174.5 | -72.9 | 179 | -20.9 | 0 | 0 | 111.3 | V477 H478 L483 Y485 V489 F490 | V477-Q481 HydrophobicContact CG1-CG 4.47Å; V477-Q481 WeakPolarHBondContact O-CG 3.24Å; V477-Q481 PolarHBondContact O-N 3.02Å; H478-Q481 PolarHBondContact O-N 3.08Å; Q481-L483 PolarHBondContact O-N 3.27Å; Q481-Y485 CarbonylContact O-C 3.34Å; Q481-Y485 WeakPolarHBondContact O-CB 3.47Å; Q481-Y485 PolarHBondContact O-N 3Å; Q481-Y485 VanDerWaalsContact O-N 3.13Å; Q481-V489 HydrophobicContact CB-CG2 4.31Å; Q481-F490 PolarHBondContact NE2-O 3.47Å; Q481-F490 PolarHBondContact OE1-O 3.23Å |
| 482 | S | 85.2 | Confident | 87.6 | Confident | 5 Ų | 5 | 61.3 Ų | 61.3 | 4% | 0.035 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -57.3 | -47.6 | 174.7 | -68.6 | 0 | 0 | 0 | 0 | 112.6 | H478 Q479 Q480 Q487 K545 | H478-S482 WeakPolarHBondContact O-CB 3.27Å; H478-S482 PolarHBondContact O-N 3.28Å; H478-S482 PolarHBondContact O-OG 3.16Å; H478-S482 VanDerWaalsContact O-OG 3.11Å; Q479-S482 PolarHBondContact O-N 3.38Å; Q480-S482 VanDerWaalsContact C-N 3.35Å; S482-Q487 PolarHBondContact O-NE2 3.26Å; S482-Q487 PolarHBondContact OG-OE1 3.47Å; S482-Q487 VanDerWaalsContact OG-OE1 3.06Å; S482-K545 PolarHBondContact OG-NZ 3.24Å |
| 483 | L | 82.3 | Confident | 87.4 | Confident | 57 Ų | 57 | 61.5 Ų | 61.5 | 30% | 0.298 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -82 | -34 | -171.6 | -69.3 | 174.8 | 0 | 0 | 0 | 114.5 | Q479 Q480 Q481 M549 | Q479-L483 HydrophobicContact CG-CD1 3.78Å; Q479-L483 HydrophobicContact CG-CG 4.44Å; Q479-L483 WeakPolarHBondContact O-CB 3.4Å; Q479-L483 VanDerWaalsContact O-CG 3.27Å; Q479-L483 WeakPolarHBondContact O-CG 3.34Å; Q479-L483 PolarHBondContact O-N 2.8Å; Q480-L483 PolarHBondContact O-N 3.14Å; Q481-L483 PolarHBondContact O-N 3.27Å; L483-M549 HydrophobicContact CD1-SD 3.78Å |
| 484 | F | 82.6 | Confident | 87.3 | Confident | 81 Ų | 81 | 65.9 Ų | 65.9 | 36% | 0.355 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -120.9 | -2.4 | -167.5 | -54.4 | -64.7 | 0 | 0 | 0 | 114.6 | Q480 M549 P551 L560 | Q480-F484 HydrophobicContact CB-CD2 4.4Å; Q480-F484 WeakPolarHBondContact O-CD2 3.18Å; Q480-F484 PolarHBondContact O-N 2.93Å; F484-M549 HydrophobicContact CE2-CE 3.7Å; F484-M549 HydrophobicContact CE2-SD 4.44Å; F484-M549 HydrophobicContact CZ-CE 4.11Å; F484-P551 HydrophobicContact CE1-CB 4Å; F484-P551 HydrophobicContact CE1-CG 4.45Å; F484-P551 HydrophobicContact CZ-CB 3.92Å; F484-P551 HydrophobicContact CZ-CG 4.41Å; F484-L560 HydrophobicContact CZ-CD1 4.38Å |
| 485 | Y | 81 | Confident | 87.1 | Confident | 151 Ų | 151 | 69 Ų | 69 | 59% | 0.592 | 36% | 0.364 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -133.2 | 46.6 | -175.7 | -61.2 | -89.8 | 0 | 0 | 0 | 112.1 | Q481 Q487 G488 | Q481-Y485 CarbonylContact O-C 3.34Å; Q481-Y485 WeakPolarHBondContact O-CB 3.47Å; Q481-Y485 PolarHBondContact O-N 3Å; Q481-Y485 VanDerWaalsContact O-N 3.13Å; Y485-Q487 PolarHBondContact O-N 3.43Å; Y485-Q487 VanDerWaalsContact O-N 3.08Å; Y485-G488 WeakPolarHBondContact O-CA 3.46Å; Y485-G488 PolarHBondContact O-N 3.05Å |
| 486 | E | 74 | Confident | 86.8 | Confident | 191 Ų | 191 | 70.2 Ų | 70.2 | 89% | 0.893 | 38% | 0.377 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 53.4 | 32.9 | 174 | -60.2 | 176.5 | -171 | 0 | 0 | 114.2 | G488 | E486-G488 PolarHBondContact O-N 2.92Å; E486-G488 VanDerWaalsContact O-N 3.13Å |
| 487 | Q | 71.1 | Confident | 86.6 | Confident | 118 Ų | 118 | 76.9 Ų | 76.9 | 55% | 0.551 | 40% | 0.404 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 58.8 | 20.1 | -173.3 | -58.3 | -74.9 | -11.7 | 0 | 0 | 114.2 | S482 Y485 V489 | S482-Q487 PolarHBondContact O-NE2 3.26Å; S482-Q487 PolarHBondContact OG-OE1 3.47Å; S482-Q487 VanDerWaalsContact OG-OE1 3.06Å; Y485-Q487 PolarHBondContact O-N 3.43Å; Y485-Q487 VanDerWaalsContact O-N 3.08Å; Q487-V489 PolarHBondContact O-N 2.89Å |
| 488 | G | 74.7 | Confident | 86.7 | Confident | 45 Ų | 45 | 78.1 Ų | 78.1 | 46% | 0.464 | 41% | 0.407 | S | S | . | . | trans | -72.9 | 56.9 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.9 | Y485 E486 F490 | Y485-G488 WeakPolarHBondContact O-CA 3.46Å; Y485-G488 PolarHBondContact O-N 3.05Å; E486-G488 PolarHBondContact O-N 2.92Å; E486-G488 VanDerWaalsContact O-N 3.13Å; G488-F490 PolarHBondContact O-N 3.45Å | ||
| 489 | V | 83.7 | Confident | 86.9 | Confident | 48 Ų | 48 | 81.7 Ų | 81.7 | 29% | 0.291 | 43% | 0.427 | S | S | . | . | trans | -60 | 120.9 | 176.5 | 172.7 | 0 | 0 | 0 | 0 | 109.7 | H478 Q481 Q487 A492 T493 | H478-V489 WeakPolarHBondContact CD2-CG1 3.18Å; Q481-V489 HydrophobicContact CB-CG2 4.31Å; Q487-V489 PolarHBondContact O-N 2.89Å; V489-A492 HydrophobicContact CG1-CB 4.46Å; V489-T493 HydrophobicContact CG1-CG2 3.97Å | ||
| 490 | F | 89.3 | Confident | 87.2 | Confident | 159 Ų | 159 | 82.2 Ų | 82.2 | 70% | 0.697 | 43% | 0.429 | S | S | * | . | trans | -144.4 | 132.8 | -177.5 | 179.5 | -100.7 | 0 | 0 | 0 | 111.3 | Q481 G488 A492 | Q481-F490 PolarHBondContact NE2-O 3.47Å; Q481-F490 PolarHBondContact OE1-O 3.23Å; G488-F490 PolarHBondContact O-N 3.45Å; F490-A492 PolarHBondContact O-N 3.27Å; F490-A492 VanDerWaalsContact O-N 3.1Å | ||
| 491 | A | 91.6 | Very high | 87.6 | Confident | 80 Ų | 80 | 80.8 Ų | 80.8 | 66% | 0.661 | 42% | 0.423 | S | S | * | . | S | Bend | trans | 52.7 | 27.6 | 179.2 | 0 | 0 | 0 | 0 | 0 | 114.7 | ||
| 492 | A | 92.2 | Very high | 88.1 | Confident | 0 Ų | 0 | 85.7 Ų | 85.7 | 0% | 0 | 45% | 0.446 | C | S | . | . | trans | -122.3 | 6.7 | -178.4 | 0 | 0 | 0 | 0 | 0 | 113.3 | A473 L474 V477 H478 V489 F490 | A473-A492 CarbonylContact C-O 3.5Å; A473-A492 VanDerWaalsContact CA-O 3.23Å; A473-A492 WeakPolarHBondContact CA-O 3.28Å; A473-A492 VanDerWaalsContact CB-O 3.29Å; A473-A492 WeakPolarHBondContact CB-O 3.48Å; L474-A492 HydrophobicContact CB-CB 4.39Å; L474-A492 PolarHBondContact N-O 3.35Å; V477-A492 HydrophobicContact CB-CB 4.37Å; V477-A492 HydrophobicContact CG1-CB 4.07Å; H478-A492 HydrophobicContact CB-CB 4.44Å; V489-A492 HydrophobicContact CG1-CB 4.46Å; F490-A492 PolarHBondContact O-N 3.27Å; F490-A492 VanDerWaalsContact O-N 3.1Å | ||
| 493 | T | 92.9 | Very high | 88.7 | Confident | 80 Ų | 80 | 88.3 Ų | 88.3 | 49% | 0.491 | 46% | 0.458 | S | S | . | . | B | Isolated β-bridge | trans | -125.5 | 147.9 | 177.9 | 55.6 | 0 | 0 | 0 | 0 | 110.5 | E472 A473 V489 | E472-T493 CarbonylContact O-C 3.59Å; A473-T493 HydrophobicContact CB-CG2 4.39Å; V489-T493 HydrophobicContact CG1-CG2 3.97Å |
| 494 | Y | 92.9 | Very high | 89.5 | Confident | 96 Ų | 96 | 85.6 Ų | 85.6 | 38% | 0.376 | 44% | 0.444 | S | S | . | . | trans | -107.5 | 147.3 | 177.5 | -60.2 | -60.8 | 0 | 0 | 0 | 110.2 | D444 G445 E472 L474 G496 | D444-Y494 WeakPolarHBondContact OD2-CD2 3.24Å; D444-Y494 WeakPolarHBondContact OD2-CE2 3.34Å; G445-Y494 WeakPolarHBondContact CA-OH 3.46Å; E472-Y494 PolarHBondContact O-N 3.41Å; L474-Y494 HydrophobicContact CD2-CE2 4.43Å; L474-Y494 VanDerWaalsContact CD2-OH 3.23Å; L474-Y494 WeakPolarHBondContact CD2-OH 3.39Å; Y494-G496 PolarHBondContact O-N 3.31Å | ||
| 495 | P | 91.2 | Very high | 90.2 | Very high | 112 Ų | 112 | 84.2 Ų | 84.2 | 73% | 0.727 | 45% | 0.448 | S | S | * | . | trans | -69.4 | 8.1 | -179.7 | -22.1 | 34.2 | 0 | 0 | 0 | 116.6 | K497 | P495-K497 VanDerWaalsContact C-N 3.33Å; P495-K497 HydrophobicContact CB-CG 4.33Å; P495-K497 PolarHBondContact O-N 3.38Å | ||
| 496 | G | 88.4 | Confident | 91 | Very high | 33 Ų | 33 | 80.3 Ų | 80.3 | 34% | 0.34 | 45% | 0.453 | S | S | . | . | S | Bend | trans | 66.3 | 22 | 178.5 | 0 | 0 | 0 | 0 | 0 | 117 | E472 Y494 | E472-G496 WeakPolarHBondContact OE1-CA 3.3Å; E472-G496 WeakPolarHBondContact OE2-CA 3.33Å; Y494-G496 PolarHBondContact O-N 3.31Å |
| 497 | K | 91.7 | Very high | 92.2 | Very high | 182 Ų | 182 | 74.4 Ų | 74.4 | 79% | 0.791 | 43% | 0.425 | S | S | * | . | trans | -92.3 | -12.3 | -173.9 | -65.8 | -174.3 | -179.1 | 179.7 | 0 | 115.3 | P495 | P495-K497 VanDerWaalsContact C-N 3.33Å; P495-K497 HydrophobicContact CB-CG 4.33Å; P495-K497 PolarHBondContact O-N 3.38Å | ||
| 498 | I | 94.5 | Very high | 93.4 | Very high | 94 Ų | 94 | 71.1 Ų | 71.1 | 48% | 0.482 | 42% | 0.422 | S | S | . | . | trans | -82.5 | 123.5 | -172.8 | -57.5 | -57.2 | 0 | 0 | 0 | 110.2 | M448 F500 I503 | M448-I498 HydrophobicContact SD-CG2 4.42Å; I498-F500 HydrophobicContact CB-CD2 4.45Å; I498-F500 HydrophobicContact CB-CE2 4.06Å; I498-F500 HydrophobicContact CB-CZ 4.39Å; I498-F500 HydrophobicContact CG2-CD1 4.31Å; I498-F500 HydrophobicContact CG2-CD2 4.05Å; I498-F500 HydrophobicContact CG2-CE1 4.16Å; I498-F500 HydrophobicContact CG2-CE2 3.88Å; I498-F500 HydrophobicContact CG2-CG 4.26Å; I498-F500 HydrophobicContact CG2-CZ 3.94Å; I498-F500 PolarHBondContact O-N 2.97Å; I498-I503 HydrophobicContact CG2-CD1 3.75Å | ||
| 499 | N | 96.5 | Very high | 94.6 | Very high | 84 Ų | 84 | 69.4 Ų | 69.4 | 45% | 0.449 | 40% | 0.403 | S | S | . | . | trans | -93.3 | 87.8 | 173.7 | -172 | -19.7 | 0 | 0 | 0 | 110.3 | M501 Q502 I503 | N499-M501 VanDerWaalsContact C-N 3.26Å; N499-M501 PolarHBondContact O-N 3.19Å; N499-M501 WeakPolarHBondContact OD1-CB 3.33Å; N499-M501 PolarHBondContact OD1-N 2.83Å; N499-Q502 HydrophobicContact CB-CB 4.14Å; N499-Q502 PolarHBondContact O-N 3.19Å; N499-Q502 PolarHBondContact OD1-N 3.38Å; N499-I503 WeakPolarHBondContact O-CG1 3.2Å; N499-I503 PolarHBondContact O-N 3.3Å | ||
| 500 | F | 97.7 | Very high | 95.3 | Very high | 12 Ų | 12 | 71.7 Ų | 71.7 | 5% | 0.053 | 41% | 0.41 | C | S | . | . | H | α-helix | trans | -60.3 | -35.1 | 179 | -71.4 | -82.4 | 0 | 0 | 0 | 113.3 | D444 L447 M448 I451 L468 I498 I503 A504 L535 | D444-F500 HydrophobicContact CB-CE2 3.87Å; D444-F500 HydrophobicContact CB-CZ 3.72Å; L447-F500 HydrophobicContact CD2-CD1 4.17Å; L447-F500 HydrophobicContact CD2-CE1 4.42Å; M448-F500 HydrophobicContact CG-CE1 3.67Å; M448-F500 HydrophobicContact CG-CZ 3.87Å; M448-F500 HydrophobicContact SD-CD1 4.38Å; M448-F500 HydrophobicContact SD-CE1 3.54Å; M448-F500 VanDerWaalsContact SD-CE1 3.54Å; M448-F500 HydrophobicContact SD-CZ 4.12Å; I451-F500 HydrophobicContact CD1-CD1 4.24Å; I451-F500 HydrophobicContact CD1-CE1 4.42Å; L468-F500 HydrophobicContact CD2-CB 3.57Å; L468-F500 HydrophobicContact CD2-CD1 3.85Å; L468-F500 HydrophobicContact CD2-CD2 3.73Å; L468-F500 HydrophobicContact CD2-CE1 4.45Å; L468-F500 HydrophobicContact CD2-CE2 4.35Å; L468-F500 HydrophobicContact CD2-CG 3.44Å; L468-F500 VanDerWaalsContact CD2-CG 3.44Å; I498-F500 HydrophobicContact CB-CD2 4.45Å; I498-F500 HydrophobicContact CB-CE2 4.06Å; I498-F500 HydrophobicContact CB-CZ 4.39Å; I498-F500 HydrophobicContact CG2-CD1 4.31Å; I498-F500 HydrophobicContact CG2-CD2 4.05Å; I498-F500 HydrophobicContact CG2-CE1 4.16Å; I498-F500 HydrophobicContact CG2-CE2 3.88Å; I498-F500 HydrophobicContact CG2-CG 4.26Å; I498-F500 HydrophobicContact CG2-CZ 3.94Å; I498-F500 PolarHBondContact O-N 2.97Å; F500-I503 PolarHBondContact O-N 2.87Å; F500-A504 WeakPolarHBondContact O-CB 3.47Å; F500-A504 PolarHBondContact O-N 3.04Å; F500-L535 HydrophobicContact CB-CD2 3.92Å |
| 501 | M | 97.5 | Very high | 95.7 | Very high | 33 Ų | 33 | 66.3 Ų | 66.3 | 16% | 0.163 | 39% | 0.39 | C | S | . | . | H | α-helix | trans | -62.3 | -47.9 | 178.7 | -65.5 | -74.6 | -70.2 | 0 | 0 | 111 | N499 I503 A504 A505 T511 C512 D513 L535 H537 | N499-M501 VanDerWaalsContact C-N 3.26Å; N499-M501 PolarHBondContact O-N 3.19Å; N499-M501 WeakPolarHBondContact OD1-CB 3.33Å; N499-M501 PolarHBondContact OD1-N 2.83Å; M501-I503 VanDerWaalsContact C-N 3.32Å; M501-I503 PolarHBondContact O-N 3.16Å; M501-A504 PolarHBondContact O-N 3.42Å; M501-A505 WeakPolarHBondContact O-CB 3.41Å; M501-A505 PolarHBondContact O-N 3.29Å; M501-T511 VanDerWaalsContact CE-OG1 3.31Å; M501-T511 WeakPolarHBondContact CE-OG1 3.3Å; M501-T511 HydrophobicContact SD-CG2 4.49Å; M501-C512 VanDerWaalsContact CE-C 3.44Å; M501-D513 HydrophobicContact CE-CB 3.9Å; M501-D513 HydrophobicContact SD-CB 4.34Å; M501-L535 HydrophobicContact SD-CD2 4.01Å; M501-H537 HydrophobicContact CG-CB 4.19Å; M501-H537 HydrophobicContact SD-CB 3.75Å |
| 502 | Q | 98.1 | Very high | 96 | Very high | 139 Ų | 139 | 63 Ų | 63 | 65% | 0.65 | 36% | 0.362 | S | S | * | . | H | α-helix | trans | -64.9 | -36.8 | 177.7 | -172.5 | 174.9 | 12.6 | 0 | 0 | 112.2 | N499 G506 | N499-Q502 HydrophobicContact CB-CB 4.14Å; N499-Q502 PolarHBondContact O-N 3.19Å; N499-Q502 PolarHBondContact OD1-N 3.38Å; Q502-G506 PolarHBondContact O-N 3.44Å |
| 503 | I | 98.3 | Very high | 96.3 | Very high | 59 Ų | 59 | 64.2 Ų | 64.2 | 30% | 0.303 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -65.3 | -48.8 | 175.8 | -65.3 | 165.7 | 0 | 0 | 0 | 110.6 | I451 I498 N499 F500 M501 A505 G506 F507 | I451-I503 HydrophobicContact CD1-CD1 4.48Å; I451-I503 HydrophobicContact CD1-CG2 3.67Å; I451-I503 HydrophobicContact CG1-CG2 4.22Å; I498-I503 HydrophobicContact CG2-CD1 3.75Å; N499-I503 WeakPolarHBondContact O-CG1 3.2Å; N499-I503 PolarHBondContact O-N 3.3Å; F500-I503 PolarHBondContact O-N 2.87Å; M501-I503 VanDerWaalsContact C-N 3.32Å; M501-I503 PolarHBondContact O-N 3.16Å; I503-A505 PolarHBondContact O-N 3.35Å; I503-G506 WeakPolarHBondContact O-CA 3.42Å; I503-G506 PolarHBondContact O-N 3.3Å; I503-G506 VanDerWaalsContact O-N 3.08Å; I503-F507 HydrophobicContact CG2-CD2 3.99Å; I503-F507 HydrophobicContact CG2-CE2 3.72Å; I503-F507 WeakPolarHBondContact O-CD2 3.26Å; I503-F507 PolarHBondContact O-N 3.28Å; I503-F507 VanDerWaalsContact O-N 3.1Å |
| 504 | A | 98.6 | Very high | 96.5 | Very high | 0 Ų | 0 | 60.4 Ų | 60.4 | 0% | 0 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -61.5 | -44.2 | 178.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | M454 F500 M501 G506 F507 G508 L509 T511 L535 | M454-A504 HydrophobicContact SD-CB 3.91Å; F500-A504 WeakPolarHBondContact O-CB 3.47Å; F500-A504 PolarHBondContact O-N 3.04Å; M501-A504 PolarHBondContact O-N 3.42Å; A504-G506 VanDerWaalsContact C-N 3.27Å; A504-G506 PolarHBondContact O-N 2.83Å; A504-F507 CarbonylContact O-C 3.49Å; A504-F507 PolarHBondContact O-N 2.93Å; A504-F507 VanDerWaalsContact O-N 3.1Å; A504-G508 PolarHBondContact O-N 2.92Å; A504-L509 HydrophobicContact CB-CB 4.19Å; A504-L509 HydrophobicContact CB-CD2 4.44Å; A504-L509 WeakPolarHBondContact O-CB 3.42Å; A504-L509 PolarHBondContact O-N 3.38Å; A504-T511 HydrophobicContact CB-CG2 3.85Å; A504-L535 HydrophobicContact CB-CB 3.68Å; A504-L535 HydrophobicContact CB-CD2 3.75Å; A504-L535 HydrophobicContact CB-CG 4.21Å |
| 505 | A | 98.3 | Very high | 96.7 | Very high | 52 Ų | 52 | 58.1 Ų | 58.1 | 43% | 0.43 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -60.5 | -36.9 | 172.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | M501 I503 F507 G508 T511 | M501-A505 WeakPolarHBondContact O-CB 3.41Å; M501-A505 PolarHBondContact O-N 3.29Å; I503-A505 PolarHBondContact O-N 3.35Å; A505-F507 VanDerWaalsContact C-N 3.28Å; A505-F507 PolarHBondContact O-N 2.6Å; A505-G508 WeakPolarHBondContact O-CA 3.36Å; A505-G508 PolarHBondContact O-N 2.84Å; A505-T511 HydrophobicContact CB-CG2 4.19Å |
| 506 | G | 98.3 | Very high | 96.9 | Very high | 69 Ų | 69 | 58.6 Ų | 58.6 | 71% | 0.711 | 34% | 0.336 | S | S | * | . | H | α-helix | trans | -63.6 | -28.9 | 174.5 | 0 | 0 | 0 | 0 | 0 | 114.2 | Q502 I503 A504 G508 | Q502-G506 PolarHBondContact O-N 3.44Å; I503-G506 WeakPolarHBondContact O-CA 3.42Å; I503-G506 PolarHBondContact O-N 3.3Å; I503-G506 VanDerWaalsContact O-N 3.08Å; A504-G506 VanDerWaalsContact C-N 3.27Å; A504-G506 PolarHBondContact O-N 2.83Å; G506-G508 VanDerWaalsContact C-N 3.32Å |
| 507 | F | 98.2 | Very high | 97.3 | Very high | 68 Ų | 68 | 61.2 Ų | 61.2 | 30% | 0.298 | 34% | 0.34 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -84.1 | -3.5 | 169.7 | -72.6 | -60.8 | 0 | 0 | 0 | 113.7 | I451 M454 A455 S458 I503 A504 A505 L509 | I451-F507 HydrophobicContact CG1-CE2 4.42Å; M454-F507 HydrophobicContact CB-CB 3.86Å; M454-F507 HydrophobicContact CB-CD2 3.68Å; M454-F507 HydrophobicContact CB-CE2 4.38Å; M454-F507 HydrophobicContact CB-CG 3.85Å; M454-F507 HydrophobicContact CG-CD2 4.43Å; M454-F507 HydrophobicContact SD-CD2 4.04Å; A455-F507 HydrophobicContact CB-CD1 3.65Å; A455-F507 HydrophobicContact CB-CE1 3.98Å; S458-F507 WeakPolarHBondContact CB-O 3.5Å; S458-F507 PolarHBondContact OG-O 3.04Å; S458-F507 VanDerWaalsContact OG-O 3.11Å; I503-F507 HydrophobicContact CG2-CD2 3.99Å; I503-F507 HydrophobicContact CG2-CE2 3.72Å; I503-F507 WeakPolarHBondContact O-CD2 3.26Å; I503-F507 PolarHBondContact O-N 3.28Å; I503-F507 VanDerWaalsContact O-N 3.1Å; A504-F507 CarbonylContact O-C 3.49Å; A504-F507 PolarHBondContact O-N 2.93Å; A504-F507 VanDerWaalsContact O-N 3.1Å; A505-F507 VanDerWaalsContact C-N 3.28Å; A505-F507 PolarHBondContact O-N 2.6Å; F507-L509 HydrophobicContact CB-CD1 3.98Å |
| 508 | G | 97.7 | Very high | 97.6 | Very high | 48 Ų | 48 | 57.9 Ų | 57.9 | 50% | 0.495 | 35% | 0.346 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 85 | 25.9 | 179.9 | 0 | 0 | 0 | 0 | 0 | 114.6 | S458 A504 A505 G506 | S458-G508 PolarHBondContact OG-O 3.17Å; A504-G508 PolarHBondContact O-N 2.92Å; A505-G508 WeakPolarHBondContact O-CA 3.36Å; A505-G508 PolarHBondContact O-N 2.84Å; G506-G508 VanDerWaalsContact C-N 3.32Å |
| 509 | L | 98.5 | Very high | 97.7 | Very high | 10 Ų | 10 | 57.8 Ų | 57.8 | 5% | 0.052 | 35% | 0.346 | C | S | . | . | trans | -86.5 | 148.2 | 170.8 | -80.6 | 67.4 | 0 | 0 | 0 | 110.3 | M454 I466 A504 F507 P533 | M454-L509 HydrophobicContact CB-CD1 3.83Å; M454-L509 HydrophobicContact CB-CD2 4.32Å; M454-L509 HydrophobicContact CG-CD1 4.42Å; M454-L509 HydrophobicContact CG-CD2 4.03Å; M454-L509 HydrophobicContact SD-CD2 4.17Å; I466-L509 HydrophobicContact CD1-CD2 3.85Å; A504-L509 HydrophobicContact CB-CB 4.19Å; A504-L509 HydrophobicContact CB-CD2 4.44Å; A504-L509 WeakPolarHBondContact O-CB 3.42Å; A504-L509 PolarHBondContact O-N 3.38Å; F507-L509 HydrophobicContact CB-CD1 3.98Å; L509-P533 HydrophobicContact CD1-CG 4.43Å; L509-P533 HydrophobicContact CD2-CB 4.33Å; L509-P533 HydrophobicContact CG-CB 3.93Å; L509-P533 HydrophobicContact CG-CG 4.09Å | ||
| 510 | E | 98.2 | Very high | 97.7 | Very high | 95 Ų | 95 | 54.8 Ų | 54.8 | 44% | 0.444 | 33% | 0.332 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -64.9 | 151.1 | 160.3 | -71.8 | -76.6 | 146.3 | 0 | 0 | 109.3 | I527 R530 P533 A534 L535 | E510-I527 HydrophobicContact CB-CD1 3.85Å; E510-R530 IonicContact OE2-NH1 3.81Å; E510-R530 PolarHBondContact OE2-NH1 2.8Å; E510-P533 PolarHBondContact N-O 3.43Å; E510-P533 VanDerWaalsContact N-O 3.12Å; E510-A534 HydrophobicContact CB-CB 3.94Å; E510-A534 CarbonylContact O-C 3.31Å; E510-A534 WeakPolarHBondContact O-CA 3.31Å; E510-L535 PolarHBondContact O-N 3.47Å |
| 511 | T | 98.4 | Very high | 97.6 | Very high | 46 Ų | 46 | 57.4 Ų | 57.4 | 28% | 0.282 | 34% | 0.344 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.2 | 141.1 | -176.4 | 68.3 | 0 | 0 | 0 | 0 | 111.4 | M501 A504 A505 L535 | M501-T511 VanDerWaalsContact CE-OG1 3.31Å; M501-T511 WeakPolarHBondContact CE-OG1 3.3Å; M501-T511 HydrophobicContact SD-CG2 4.49Å; A504-T511 HydrophobicContact CB-CG2 3.85Å; A505-T511 HydrophobicContact CB-CG2 4.19Å; T511-L535 CarbonylContact C-O 3.56Å; T511-L535 VanDerWaalsContact CA-O 3.3Å; T511-L535 WeakPolarHBondContact CA-O 3.29Å; T511-L535 HydrophobicContact CG2-CB 4.4Å |
| 512 | C | 98.2 | Very high | 97.6 | Very high | 11 Ų | 11 | 58.2 Ų | 58.2 | 7% | 0.074 | 36% | 0.356 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.8 | 126.1 | 173.4 | -179.9 | 0 | 0 | 0 | 0 | 110.2 | M501 I527 L535 I536 H537 | M501-C512 VanDerWaalsContact CE-C 3.44Å; C512-I527 HydrophobicContact CB-CB 4.15Å; C512-I527 HydrophobicContact CB-CD1 4.4Å; C512-I527 HydrophobicContact CB-CG1 3.91Å; C512-I527 HydrophobicContact CB-CG2 4.2Å; C512-L535 PolarHBondContact N-O 3.46Å; C512-I536 CarbonylContact O-C 3.48Å; C512-I536 WeakPolarHBondContact O-CA 3.44Å; C512-H537 PolarHBondContact O-N 2.9Å |
| 513 | D | 98 | Very high | 97.6 | Very high | 26 Ų | 26 | 52.2 Ų | 52.2 | 14% | 0.139 | 33% | 0.33 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.8 | 98.2 | 172.8 | 179.2 | -7.8 | 0 | 0 | 0 | 108.1 | M501 N515 N516 H537 | M501-D513 HydrophobicContact CE-CB 3.9Å; M501-D513 HydrophobicContact SD-CB 4.34Å; D513-N515 PolarHBondContact O-N 3.47Å; D513-N515 VanDerWaalsContact O-N 3.09Å; D513-N515 WeakPolarHBondContact OD1-CB 3.38Å; D513-N515 PolarHBondContact OD1-N 3.24Å; D513-N515 VanDerWaalsContact OD1-N 3.1Å; D513-N515 PolarHBondContact OD1-ND2 3.12Å; D513-N516 VanDerWaalsContact CG-ND2 3.3Å; D513-N516 PolarHBondContact O-N 2.9Å; D513-N516 VanDerWaalsContact O-N 3.11Å; D513-N516 PolarHBondContact OD2-ND2 2.87Å; D513-H537 IonicContact OD1-ND1 2.82Å; D513-H537 IonicContact OD2-ND1 3.68Å |
| 514 | L | 97.6 | Very high | 97.6 | Very high | 0 Ų | 0 | 49.4 Ų | 49.4 | 0% | 0 | 32% | 0.315 | C | S | . | . | G | 310 helix | trans | -62 | -22 | -174.4 | -65.4 | -175.5 | 0 | 0 | 0 | 112.9 | L368 L373 N516 E517 P520 A523 L524 I536 H537 V538 | L368-L514 HydrophobicContact CD2-CB 3.9Å; L373-L514 HydrophobicContact CD1-CD1 3.91Å; L514-N516 PolarHBondContact O-N 2.98Å; L514-E517 PolarHBondContact O-N 3.08Å; L514-P520 HydrophobicContact CB-CB 4.4Å; L514-A523 HydrophobicContact CD2-CB 4.14Å; L514-L524 HydrophobicContact CD1-CB 4.38Å; L514-L524 HydrophobicContact CD1-CD1 4.03Å; L514-L524 HydrophobicContact CD2-CB 4.11Å; L514-I536 HydrophobicContact CD1-CG2 3.82Å; L514-I536 HydrophobicContact CD2-CG2 4.26Å; L514-I536 HydrophobicContact CG-CG2 3.8Å; L514-H537 PolarHBondContact N-O 3.41Å; L514-V538 HydrophobicContact CB-CG2 4.11Å; L514-V538 HydrophobicContact CD1-CG2 3.53Å; L514-V538 HydrophobicContact CG-CG2 4.05Å |
| 515 | N | 96.6 | Very high | 97.6 | Very high | 47 Ų | 47 | 52.3 Ų | 52.3 | 25% | 0.251 | 33% | 0.329 | S | S | . | . | G | 310 helix | trans | -68.8 | -20.7 | -179 | -49 | -84.9 | 0 | 0 | 0 | 112.2 | D513 R539 | D513-N515 PolarHBondContact O-N 3.47Å; D513-N515 VanDerWaalsContact O-N 3.09Å; D513-N515 WeakPolarHBondContact OD1-CB 3.38Å; D513-N515 PolarHBondContact OD1-N 3.24Å; D513-N515 VanDerWaalsContact OD1-N 3.1Å; D513-N515 PolarHBondContact OD1-ND2 3.12Å; N515-R539 PolarHBondContact ND2-N 3.38Å; N515-R539 WeakPolarHBondContact OD1-CB 3.49Å; N515-R539 PolarHBondContact OD1-N 3.07Å |
| 516 | N | 96.4 | Very high | 97.6 | Very high | 122 Ų | 122 | 54.9 Ų | 54.9 | 65% | 0.652 | 33% | 0.332 | S | S | * | . | G | 310 helix | trans | -101.1 | -3.6 | -179.1 | -59.2 | -34.8 | 0 | 0 | 0 | 113.1 | D513 L514 | D513-N516 VanDerWaalsContact CG-ND2 3.3Å; D513-N516 PolarHBondContact O-N 2.9Å; D513-N516 VanDerWaalsContact O-N 3.11Å; D513-N516 PolarHBondContact OD2-ND2 2.87Å; L514-N516 PolarHBondContact O-N 2.98Å |
| 517 | E | 97 | Very high | 97.6 | Very high | 88 Ų | 88 | 51.8 Ų | 51.8 | 41% | 0.411 | 30% | 0.299 | S | S | . | . | trans | -84.2 | 137.3 | -177.3 | -62.9 | -63 | 160.8 | 0 | 0 | 111 | L514 D519 A523 | L514-E517 PolarHBondContact O-N 3.08Å; E517-D519 VanDerWaalsContact C-N 3.28Å; E517-D519 PolarHBondContact O-N 2.93Å; E517-A523 HydrophobicContact CB-CB 3.92Å; E517-A523 HydrophobicContact CG-CB 3.54Å | ||
| 518 | A | 96.8 | Very high | 97.6 | Very high | 112 Ų | 112 | 48.5 Ų | 48.5 | 93% | 0.926 | 29% | 0.285 | S | S | * | . | S | Bend | trans | -69.2 | -30.3 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | ||
| 519 | D | 96.9 | Very high | 97.5 | Very high | 92 Ų | 92 | 50.6 Ų | 50.6 | 49% | 0.492 | 29% | 0.285 | S | S | . | . | S | Bend | trans | -129.8 | 88.1 | 172.4 | -174.5 | -17.3 | 0 | 0 | 0 | 108.9 | E517 Q521 A522 A523 | E517-D519 VanDerWaalsContact C-N 3.28Å; E517-D519 PolarHBondContact O-N 2.93Å; D519-Q521 PolarHBondContact O-N 2.79Å; D519-Q521 PolarHBondContact OD1-N 3.17Å; D519-A522 HydrophobicContact CB-CB 3.98Å; D519-A522 VanDerWaalsContact CG-CB 3.46Å; D519-A522 PolarHBondContact O-N 2.77Å; D519-A522 PolarHBondContact OD1-N 3.49Å; D519-A522 WeakPolarHBondContact OD2-CB 3.42Å; D519-A523 PolarHBondContact O-N 2.94Å |
| 520 | P | 96.9 | Very high | 97.5 | Very high | 21 Ų | 21 | 54.9 Ų | 54.9 | 14% | 0.136 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -58.9 | -30.4 | -178.6 | -26.6 | 35.1 | 0 | 0 | 0 | 113.7 | P367 L368 L514 L524 | P367-P520 HydrophobicContact CB-CB 4.36Å; P367-P520 HydrophobicContact CG-CB 3.85Å; L368-P520 HydrophobicContact CD1-CG 4.31Å; L368-P520 HydrophobicContact CD2-CB 4.07Å; L368-P520 HydrophobicContact CD2-CG 4.16Å; L368-P520 HydrophobicContact CG-CB 4.49Å; L368-P520 HydrophobicContact CG-CG 4.29Å; L514-P520 HydrophobicContact CB-CB 4.4Å; P520-L524 WeakPolarHBondContact O-CB 3.39Å; P520-L524 PolarHBondContact O-N 2.92Å |
| 521 | Q | 95.9 | Very high | 97.3 | Very high | 68 Ų | 68 | 55.9 Ų | 55.9 | 32% | 0.318 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -71.2 | -43.5 | 179.1 | -177.8 | 65.4 | 48 | 0 | 0 | 111.2 | D519 L524 Q525 | D519-Q521 PolarHBondContact O-N 2.79Å; D519-Q521 PolarHBondContact OD1-N 3.17Å; Q521-L524 PolarHBondContact O-N 3.19Å; Q521-Q525 PolarHBondContact O-N 3.38Å |
| 522 | A | 97.7 | Very high | 97.2 | Very high | 50 Ų | 50 | 54.5 Ų | 54.5 | 41% | 0.413 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -65.4 | -44.2 | 176.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | D519 L524 Q525 E526 | D519-A522 HydrophobicContact CB-CB 3.98Å; D519-A522 VanDerWaalsContact CG-CB 3.46Å; D519-A522 PolarHBondContact O-N 2.77Å; D519-A522 PolarHBondContact OD1-N 3.49Å; D519-A522 WeakPolarHBondContact OD2-CB 3.42Å; A522-L524 VanDerWaalsContact C-N 3.33Å; A522-L524 PolarHBondContact O-N 2.88Å; A522-Q525 PolarHBondContact O-N 3.04Å; A522-E526 PolarHBondContact O-N 3.41Å |
| 523 | A | 98.2 | Very high | 97.2 | Very high | 12 Ų | 12 | 54.5 Ų | 54.5 | 10% | 0.099 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -61.5 | -42.1 | 176.6 | 0 | 0 | 0 | 0 | 0 | 111.9 | L514 E517 D519 E526 I527 | L514-A523 HydrophobicContact CD2-CB 4.14Å; E517-A523 HydrophobicContact CB-CB 3.92Å; E517-A523 HydrophobicContact CG-CB 3.54Å; D519-A523 PolarHBondContact O-N 2.94Å; A523-E526 PolarHBondContact O-N 3.2Å; A523-I527 VanDerWaalsContact O-CG2 3.31Å; A523-I527 WeakPolarHBondContact O-CG2 3.38Å; A523-I527 PolarHBondContact O-N 3.36Å |
| 524 | L | 97.8 | Very high | 97.3 | Very high | 0 Ų | 0 | 53.3 Ų | 53.3 | 0% | 0 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -60.6 | -45.4 | 175.6 | -177.4 | 64.1 | 0 | 0 | 0 | 112.2 | A376 V377 L514 P520 Q521 A522 E526 I527 I528 I536 | A376-L524 HydrophobicContact CB-CD2 3.63Å; V377-L524 HydrophobicContact CG2-CD1 4.01Å; V377-L524 HydrophobicContact CG2-CD2 3.86Å; V377-L524 HydrophobicContact CG2-CG 4.44Å; L514-L524 HydrophobicContact CD1-CB 4.38Å; L514-L524 HydrophobicContact CD1-CD1 4.03Å; L514-L524 HydrophobicContact CD2-CB 4.11Å; P520-L524 WeakPolarHBondContact O-CB 3.39Å; P520-L524 PolarHBondContact O-N 2.92Å; Q521-L524 PolarHBondContact O-N 3.19Å; A522-L524 VanDerWaalsContact C-N 3.33Å; A522-L524 PolarHBondContact O-N 2.88Å; L524-E526 VanDerWaalsContact C-N 3.33Å; L524-E526 PolarHBondContact O-N 3.48Å; L524-I527 WeakPolarHBondContact O-CG2 3.5Å; L524-I528 HydrophobicContact CD1-CD1 3.73Å; L524-I528 HydrophobicContact CD1-CG1 4.3Å; L524-I528 HydrophobicContact CG-CD1 3.89Å; L524-I528 WeakPolarHBondContact O-CB 3.42Å; L524-I528 VanDerWaalsContact O-CG1 3.3Å; L524-I528 WeakPolarHBondContact O-CG1 3.47Å; L524-I528 PolarHBondContact O-N 2.97Å; L524-I528 VanDerWaalsContact O-N 3.14Å; L524-I536 HydrophobicContact CD1-CD1 4.05Å; L524-I536 HydrophobicContact CD1-CG2 3.89Å |
| 525 | Q | 97.8 | Very high | 97.3 | Very high | 62 Ų | 62 | 53.3 Ų | 53.3 | 29% | 0.29 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -62.5 | -41.1 | 176.9 | -177.6 | 66 | 82.5 | 0 | 0 | 111.7 | C380 Q521 A522 N529 | C380-Q525 PolarHBondContact O-NE2 2.81Å; C380-Q525 VanDerWaalsContact O-NE2 3.13Å; Q521-Q525 PolarHBondContact O-N 3.38Å; A522-Q525 PolarHBondContact O-N 3.04Å; Q525-N529 PolarHBondContact NE2-ND2 3.48Å; Q525-N529 PolarHBondContact NE2-OD1 2.92Å; Q525-N529 WeakPolarHBondContact O-CB 3.49Å; Q525-N529 PolarHBondContact O-N 3.25Å; Q525-N529 VanDerWaalsContact O-N 3.16Å; Q525-N529 PolarHBondContact O-ND2 2.64Å |
| 526 | E | 98.2 | Very high | 97.4 | Very high | 105 Ų | 105 | 51.1 Ų | 51.1 | 49% | 0.491 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -63.8 | -53.5 | 179.6 | -172.3 | -178.1 | 164.7 | 0 | 0 | 111.6 | A522 A523 L524 I528 N529 R530 | A522-E526 PolarHBondContact O-N 3.41Å; A523-E526 PolarHBondContact O-N 3.2Å; L524-E526 VanDerWaalsContact C-N 3.33Å; L524-E526 PolarHBondContact O-N 3.48Å; E526-I528 VanDerWaalsContact C-N 3.34Å; E526-I528 PolarHBondContact O-N 2.96Å; E526-N529 PolarHBondContact O-N 3.43Å; E526-N529 VanDerWaalsContact O-N 3.15Å; E526-R530 WeakPolarHBondContact O-CG 3.3Å; E526-R530 PolarHBondContact O-N 2.82Å; E526-R530 IonicContact OE1-CZ 3.61Å; E526-R530 IonicContact OE1-NE 2.93Å; E526-R530 IonicContact OE1-NH2 2.71Å; E526-R530 PolarHBondContact OE1-NH2 2.99Å |
| 527 | I | 98.3 | Very high | 97.5 | Very high | 4 Ų | 4 | 45.9 Ų | 45.9 | 2% | 0.021 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -65.9 | -33.8 | -176.4 | -169.5 | 62.6 | 0 | 0 | 0 | 112.7 | E510 C512 A523 L524 A534 I536 | E510-I527 HydrophobicContact CB-CD1 3.85Å; C512-I527 HydrophobicContact CB-CB 4.15Å; C512-I527 HydrophobicContact CB-CD1 4.4Å; C512-I527 HydrophobicContact CB-CG1 3.91Å; C512-I527 HydrophobicContact CB-CG2 4.2Å; A523-I527 VanDerWaalsContact O-CG2 3.31Å; A523-I527 WeakPolarHBondContact O-CG2 3.38Å; A523-I527 PolarHBondContact O-N 3.36Å; L524-I527 WeakPolarHBondContact O-CG2 3.5Å; I527-A534 HydrophobicContact CD1-CB 3.9Å; I527-A534 HydrophobicContact CG1-CB 3.9Å; I527-I536 HydrophobicContact CG1-CG1 4.07Å; I527-I536 HydrophobicContact CG2-CD1 3.71Å; I527-I536 HydrophobicContact CG2-CG1 3.68Å |
| 528 | I | 98.1 | Very high | 97.6 | Very high | 0 Ų | 0 | 41.7 Ų | 41.7 | 0% | 0 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -68.3 | -36.2 | 174.3 | -72.7 | 175.3 | 0 | 0 | 0 | 111.4 | V377 C380 V381 K437 K465 L524 E526 I536 | V377-I528 HydrophobicContact CG1-CD1 4.09Å; C380-I528 HydrophobicContact CB-CB 4.36Å; C380-I528 HydrophobicContact CB-CD1 3.65Å; C380-I528 HydrophobicContact CB-CG2 4.14Å; V381-I528 HydrophobicContact CG1-CG2 3.59Å; K437-I528 PolarHBondContact NZ-O 2.88Å; K465-I528 WeakPolarHBondContact CE-O 3.49Å; K465-I528 HydrophobicContact CG-CG1 4.45Å; L524-I528 HydrophobicContact CD1-CD1 3.73Å; L524-I528 HydrophobicContact CD1-CG1 4.3Å; L524-I528 HydrophobicContact CG-CD1 3.89Å; L524-I528 WeakPolarHBondContact O-CB 3.42Å; L524-I528 VanDerWaalsContact O-CG1 3.3Å; L524-I528 WeakPolarHBondContact O-CG1 3.47Å; L524-I528 PolarHBondContact O-N 2.97Å; L524-I528 VanDerWaalsContact O-N 3.14Å; E526-I528 VanDerWaalsContact C-N 3.34Å; E526-I528 PolarHBondContact O-N 2.96Å; I528-I536 HydrophobicContact CD1-CD1 4.45Å; I528-I536 HydrophobicContact CG1-CD1 3.84Å |
| 529 | N | 97.1 | Very high | 97.6 | Very high | 91 Ų | 91 | 43.9 Ų | 43.9 | 49% | 0.487 | 23% | 0.228 | S | C | . | . | H | α-helix | trans | -75.5 | -29.1 | 179.9 | -76.5 | -18.7 | 0 | 0 | 0 | 113.3 | Q525 E526 | Q525-N529 PolarHBondContact NE2-ND2 3.48Å; Q525-N529 PolarHBondContact NE2-OD1 2.92Å; Q525-N529 WeakPolarHBondContact O-CB 3.49Å; Q525-N529 PolarHBondContact O-N 3.25Å; Q525-N529 VanDerWaalsContact O-N 3.16Å; Q525-N529 PolarHBondContact O-ND2 2.64Å; E526-N529 PolarHBondContact O-N 3.43Å; E526-N529 VanDerWaalsContact O-N 3.15Å |
| 530 | R | 96.7 | Very high | 97.5 | Very high | 101 Ų | 101 | 40 Ų | 40 | 38% | 0.381 | 21% | 0.207 | S | C | . | . | S | Bend | trans | -56.5 | 133.6 | 175.3 | -73.1 | -179.2 | -170.6 | 179.9 | 6.3 | 110.5 | K465 E510 E526 | K465-R530 PolarHBondContact NZ-O 3.13Å; E510-R530 IonicContact OE2-NH1 3.81Å; E510-R530 PolarHBondContact OE2-NH1 2.8Å; E526-R530 WeakPolarHBondContact O-CG 3.3Å; E526-R530 PolarHBondContact O-N 2.82Å; E526-R530 IonicContact OE1-CZ 3.61Å; E526-R530 IonicContact OE1-NE 2.93Å; E526-R530 IonicContact OE1-NH2 2.71Å; E526-R530 PolarHBondContact OE1-NH2 2.99Å |
| 531 | P | 95.3 | Very high | 97.2 | Very high | 116 Ų | 116 | 43.7 Ų | 43.7 | 75% | 0.753 | 23% | 0.225 | S | C | * | . | S | Bend | trans | -65.8 | 155.2 | 173.7 | -21.4 | 33.4 | 0 | 0 | 0 | 112.7 | ||
| 532 | G | 96.5 | Very high | 96.9 | Very high | 16 Ų | 16 | 41.7 Ų | 41.7 | 17% | 0.165 | 22% | 0.221 | C | C | . | . | S | Bend | trans | 86.4 | 177.9 | 175.6 | 0 | 0 | 0 | 0 | 0 | 114 | L462 K465 | L462-G532 CarbonylContact O-C 3.54Å; K465-G532 PolarHBondContact NZ-O 3.08Å |
| 533 | P | 98.4 | Very high | 96.4 | Very high | 12 Ų | 12 | 44.4 Ų | 44.4 | 8% | 0.078 | 23% | 0.225 | C | C | . | . | trans | -80.3 | 144 | -171.2 | 30.9 | -33.1 | 0 | 0 | 0 | 112.1 | A457 L462 V464 L509 E510 | A457-P533 HydrophobicContact CB-CB 4.11Å; A457-P533 HydrophobicContact CB-CG 4.47Å; L462-P533 WeakPolarHBondContact O-CA 3.42Å; L462-P533 VanDerWaalsContact O-CB 3.32Å; L462-P533 WeakPolarHBondContact O-CB 3.35Å; L462-P533 VanDerWaalsContact O-CD 3.22Å; L462-P533 WeakPolarHBondContact O-CD 3.23Å; V464-P533 VanDerWaalsContact O-CA 3.25Å; V464-P533 WeakPolarHBondContact O-CA 3.47Å; L509-P533 HydrophobicContact CD1-CG 4.43Å; L509-P533 HydrophobicContact CD2-CB 4.33Å; L509-P533 HydrophobicContact CG-CB 3.93Å; L509-P533 HydrophobicContact CG-CG 4.09Å; E510-P533 PolarHBondContact N-O 3.43Å; E510-P533 VanDerWaalsContact N-O 3.12Å | ||
| 534 | A | 98.7 | Very high | 96.1 | Very high | 1 Ų | 1 | 45.8 Ų | 45.8 | 1% | 0.008 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.2 | 147.1 | -180 | 0 | 0 | 0 | 0 | 0 | 112.9 | V464 K465 I466 E510 I527 | V464-A534 PolarHBondContact O-N 3.49Å; K465-A534 HydrophobicContact CD-CB 4.04Å; I466-A534 PolarHBondContact N-O 3.13Å; E510-A534 HydrophobicContact CB-CB 3.94Å; E510-A534 CarbonylContact O-C 3.31Å; E510-A534 WeakPolarHBondContact O-CA 3.31Å; I527-A534 HydrophobicContact CD1-CB 3.9Å; I527-A534 HydrophobicContact CG1-CB 3.9Å |
| 535 | L | 98.8 | Very high | 95.6 | Very high | 0 Ų | 0 | 46.9 Ų | 46.9 | 0% | 0 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.6 | 122.7 | 167.6 | -175.7 | 89.6 | 0 | 0 | 0 | 109.9 | L447 M454 I466 L468 F500 M501 A504 E510 T511 C512 | L447-L535 HydrophobicContact CD2-CD1 3.89Å; M454-L535 HydrophobicContact CE-CD1 3.88Å; I466-L535 HydrophobicContact CB-CD1 3.95Å; I466-L535 HydrophobicContact CD1-CD1 4.48Å; I466-L535 HydrophobicContact CG2-CD1 3.72Å; L468-L535 HydrophobicContact CB-CD1 4.09Å; L468-L535 HydrophobicContact CD2-CD1 4.33Å; L468-L535 HydrophobicContact CD2-CD2 4.48Å; F500-L535 HydrophobicContact CB-CD2 3.92Å; M501-L535 HydrophobicContact SD-CD2 4.01Å; A504-L535 HydrophobicContact CB-CB 3.68Å; A504-L535 HydrophobicContact CB-CD2 3.75Å; A504-L535 HydrophobicContact CB-CG 4.21Å; E510-L535 PolarHBondContact O-N 3.47Å; T511-L535 CarbonylContact C-O 3.56Å; T511-L535 VanDerWaalsContact CA-O 3.3Å; T511-L535 WeakPolarHBondContact CA-O 3.29Å; T511-L535 HydrophobicContact CG2-CB 4.4Å; C512-L535 PolarHBondContact N-O 3.46Å |
| 536 | I | 98.7 | Very high | 95.4 | Very high | 0 Ų | 0 | 43.9 Ų | 43.9 | 0% | 0 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.8 | 110.3 | 176.2 | -55.9 | 160.3 | 0 | 0 | 0 | 106.9 | K465 I466 I467 L468 C512 L514 L524 I527 I528 | K465-I536 HydrophobicContact CB-CD1 4.26Å; I466-I536 PolarHBondContact O-N 2.94Å; I467-I536 HydrophobicContact CG1-CD1 4.3Å; L468-I536 PolarHBondContact N-O 3.34Å; C512-I536 CarbonylContact O-C 3.48Å; C512-I536 WeakPolarHBondContact O-CA 3.44Å; L514-I536 HydrophobicContact CD1-CG2 3.82Å; L514-I536 HydrophobicContact CD2-CG2 4.26Å; L514-I536 HydrophobicContact CG-CG2 3.8Å; L524-I536 HydrophobicContact CD1-CD1 4.05Å; L524-I536 HydrophobicContact CD1-CG2 3.89Å; I527-I536 HydrophobicContact CG1-CG1 4.07Å; I527-I536 HydrophobicContact CG2-CD1 3.71Å; I527-I536 HydrophobicContact CG2-CG1 3.68Å; I528-I536 HydrophobicContact CD1-CD1 4.45Å; I528-I536 HydrophobicContact CG1-CD1 3.84Å |
| 537 | H | 98.5 | Very high | 94.9 | Very high | 13 Ų | 13 | 41.1 Ų | 41.1 | 6% | 0.06 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100 | 131.2 | -174.9 | 175 | -114.2 | 0 | 0 | 0 | 111.3 | N470 M501 C512 D513 L514 | N470-H537 VanDerWaalsContact CB-NE2 3.3Å; N470-H537 WeakPolarHBondContact CB-NE2 3.43Å; N470-H537 PolarHBondContact ND2-NE2 3.16Å; N470-H537 VanDerWaalsContact ND2-NE2 3.16Å; M501-H537 HydrophobicContact CG-CB 4.19Å; M501-H537 HydrophobicContact SD-CB 3.75Å; C512-H537 PolarHBondContact O-N 2.9Å; D513-H537 IonicContact OD1-ND1 2.82Å; D513-H537 IonicContact OD2-ND1 3.68Å; L514-H537 PolarHBondContact N-O 3.41Å |
| 538 | V | 97.9 | Very high | 94.4 | Very high | 0 Ų | 0 | 41 Ų | 41 | 0% | 0 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.9 | 134.8 | 176.4 | -168.8 | 0 | 0 | 0 | 0 | 109 | L368 L373 L468 N470 L514 I540 | L368-V538 HydrophobicContact CD2-CG1 4.23Å; L373-V538 HydrophobicContact CD1-CG2 3.78Å; L373-V538 HydrophobicContact CD2-CB 3.8Å; L373-V538 HydrophobicContact CD2-CG1 4.12Å; L373-V538 HydrophobicContact CD2-CG2 3.59Å; L373-V538 HydrophobicContact CG-CG2 4.31Å; L468-V538 PolarHBondContact O-N 3.23Å; N470-V538 PolarHBondContact N-O 3.31Å; L514-V538 HydrophobicContact CB-CG2 4.11Å; L514-V538 HydrophobicContact CD1-CG2 3.53Å; L514-V538 HydrophobicContact CG-CG2 4.05Å; V538-I540 HydrophobicContact CG1-CD1 4.11Å |
| 539 | R | 96.9 | Very high | 93.9 | Very high | 158 Ų | 158 | 41.1 Ų | 41.1 | 60% | 0.596 | 21% | 0.205 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -84.2 | 128.1 | 173.8 | -67.6 | 179.3 | -175.9 | -178.6 | 1.4 | 109.1 | N470 N515 | N470-R539 CarbonylContact O-C 3.49Å; N470-R539 WeakPolarHBondContact O-CA 3.46Å; N515-R539 PolarHBondContact ND2-N 3.38Å; N515-R539 WeakPolarHBondContact OD1-CB 3.49Å; N515-R539 PolarHBondContact OD1-N 3.07Å |
| 540 | I | 95.9 | Very high | 93.4 | Very high | 11 Ų | 11 | 36.9 Ų | 36.9 | 6% | 0.056 | 18% | 0.183 | C | C | . | . | trans | -113.7 | 137.1 | 175.8 | -58.5 | -56.3 | 0 | 0 | 0 | 108.1 | H370 W397 M469 N470 N471 V538 A542 | H370-I540 HydrophobicContact CB-CD1 4.14Å; H370-I540 HydrophobicContact CB-CG2 3.91Å; W397-I540 HydrophobicContact CH2-CG2 4.14Å; W397-I540 HydrophobicContact CZ3-CG2 4.14Å; M469-I540 HydrophobicContact CB-CG1 3.96Å; M469-I540 HydrophobicContact CE-CD1 4.24Å; M469-I540 HydrophobicContact CE-CG1 4.19Å; N470-I540 PolarHBondContact O-N 2.95Å; N471-I540 VanDerWaalsContact CA-O 3.24Å; N471-I540 WeakPolarHBondContact CA-O 3.44Å; N471-I540 HydrophobicContact CB-CB 4.1Å; N471-I540 HydrophobicContact CB-CG2 4.37Å; N471-I540 VanDerWaalsContact CB-O 3.3Å; N471-I540 WeakPolarHBondContact CB-O 3.49Å; V538-I540 HydrophobicContact CG1-CD1 4.11Å; I540-A542 PolarHBondContact O-N 2.89Å | ||
| 541 | D | 91 | Very high | 92.9 | Very high | 97 Ų | 97 | 33.2 Ų | 33.2 | 52% | 0.519 | 17% | 0.172 | S | C | . | . | trans | -65 | 127.8 | 176.7 | -178.8 | -7.8 | 0 | 0 | 0 | 110.4 | E543 E544 | D541-E543 PolarHBondContact O-N 3.36Å; D541-E543 PolarHBondContact OD1-N 2.95Å; D541-E544 HydrophobicContact CB-CG 3.92Å; D541-E544 WeakPolarHBondContact O-CB 3.33Å; D541-E544 PolarHBondContact O-N 2.77Å; D541-E544 VanDerWaalsContact O-N 3.08Å | ||
| 542 | A | 89 | Confident | 92.2 | Very high | 26 Ų | 26 | 30.9 Ų | 30.9 | 22% | 0.215 | 16% | 0.157 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -65.2 | -17.1 | -179.9 | 0 | 0 | 0 | 0 | 0 | 113.3 | H478 I540 K545 | H478-A542 PolarHBondContact CE1-O 3.25Å; H478-A542 PolarHBondContact ND1-O 3.07Å; I540-A542 PolarHBondContact O-N 2.89Å; A542-K545 PolarHBondContact O-NZ 3.01Å |
| 543 | E | 87.2 | Confident | 91.5 | Very high | 108 Ų | 108 | 33.3 Ų | 33.3 | 51% | 0.505 | 18% | 0.182 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -82 | -12.7 | 173.9 | -65.1 | -49.7 | 146 | 0 | 0 | 114.2 | H478 D541 K545 | H478-E543 IonicContact CE1-OE1 3.09Å; D541-E543 PolarHBondContact O-N 3.36Å; D541-E543 PolarHBondContact OD1-N 2.95Å; E543-K545 WeakPolarHBondContact O-CD 3.38Å; E543-K545 WeakPolarHBondContact O-CE 3.1Å; E543-K545 WeakPolarHBondContact O-CG 3.3Å; E543-K545 PolarHBondContact O-N 3.28Å; E543-K545 IonicContact OE2-NZ 3.92Å; E543-K545 PolarHBondContact OE2-NZ 2.54Å |
| 544 | E | 90.7 | Very high | 90.9 | Very high | 41 Ų | 41 | 33.4 Ų | 33.4 | 19% | 0.192 | 18% | 0.184 | C | C | . | . | trans | -65.6 | 130.9 | 173.3 | -62.1 | -75.6 | -162.7 | 0 | 0 | 109.6 | K363 H370 Q393 W397 D541 | K363-E544 IonicContact NZ-OE1 3.53Å; K363-E544 PolarHBondContact NZ-OE1 3.37Å; H370-E544 IonicContact CE1-OE1 2.88Å; H370-E544 IonicContact CE1-OE2 3.27Å; H370-E544 PolarHBondContact CE1-OE2 3.33Å; H370-E544 WeakPolarHBondContact ND1-CG 3.43Å; H370-E544 IonicContact ND1-OE1 3.42Å; H370-E544 IonicContact ND1-OE2 2.66Å; H370-E544 IonicContact NE2-OE2 2.82Å; Q393-E544 PolarHBondContact NE2-O 2.97Å; W397-E544 HydrophobicContact CH2-CB 4.38Å; W397-E544 HydrophobicContact CZ2-CB 4.1Å; D541-E544 HydrophobicContact CB-CG 3.92Å; D541-E544 WeakPolarHBondContact O-CB 3.33Å; D541-E544 PolarHBondContact O-N 2.77Å; D541-E544 VanDerWaalsContact O-N 3.08Å | ||
| 545 | K | 88.9 | Confident | 90.5 | Very high | 22 Ų | 22 | 33.4 Ų | 33.4 | 10% | 0.096 | 18% | 0.184 | C | C | . | . | trans | -117.3 | 159.4 | -177.8 | -48.3 | -54.3 | 178.7 | -164.9 | 0 | 110.4 | W397 H478 Q479 S482 A542 E543 Y547 | W397-K545 PolarHBondContact NE1-O 2.92Å; H478-K545 PolarHBondContact CE1-NZ 3.49Å; H478-K545 PolarHBondContact ND1-NZ 3.2Å; Q479-K545 HydrophobicContact CB-CD 3.95Å; Q479-K545 HydrophobicContact CG-CB 4.19Å; Q479-K545 HydrophobicContact CG-CD 3.99Å; Q479-K545 HydrophobicContact CG-CG 4.36Å; S482-K545 PolarHBondContact OG-NZ 3.24Å; A542-K545 PolarHBondContact O-NZ 3.01Å; E543-K545 WeakPolarHBondContact O-CD 3.38Å; E543-K545 WeakPolarHBondContact O-CE 3.1Å; E543-K545 WeakPolarHBondContact O-CG 3.3Å; E543-K545 PolarHBondContact O-N 3.28Å; E543-K545 IonicContact OE2-NZ 3.92Å; E543-K545 PolarHBondContact OE2-NZ 2.54Å; K545-Y547 HydrophobicContact CB-CD2 4.1Å; K545-Y547 HydrophobicContact CB-CE2 3.59Å; K545-Y547 HydrophobicContact CG-CE2 4.21Å | ||
| 546 | V | 91.9 | Very high | 90 | Very high | 0 Ų | 0 | 33.8 Ų | 33.8 | 0% | 0 | 19% | 0.186 | C | C | . | . | trans | -86.4 | 113.6 | 172.1 | -175.7 | 0 | 0 | 0 | 0 | 108.6 | H264 Q393 M396 W397 Q479 | H264-V546 HydrophobicContact CB-CG1 3.92Å; H264-V546 VanDerWaalsContact ND1-CG1 3.35Å; H264-V546 WeakPolarHBondContact ND1-CG1 3.48Å; Q393-V546 HydrophobicContact CB-CG2 3.58Å; Q393-V546 HydrophobicContact CG-CG2 3.68Å; M396-V546 HydrophobicContact CB-CB 4.45Å; M396-V546 HydrophobicContact CB-CG1 3.59Å; M396-V546 HydrophobicContact CB-CG2 4Å; M396-V546 HydrophobicContact CG-CG1 4.31Å; W397-V546 HydrophobicContact CD2-CG2 4.48Å; W397-V546 HydrophobicContact CZ2-CG2 4.34Å; Q479-V546 PolarHBondContact NE2-O 2.67Å | ||
| 547 | Y | 87.6 | Confident | 89.3 | Confident | 46 Ų | 46 | 35.6 Ų | 35.6 | 18% | 0.18 | 20% | 0.197 | C | C | . | . | S | Bend | trans | -123.2 | 155.8 | 170.5 | -68.3 | -67.4 | 0 | 0 | 0 | 110.5 | Y371 Q400 K545 M549 L560 V562 | Y371-Y547 PolarHBondContact OH-O 3.27Å; Q400-Y547 PolarHBondContact NE2-O 3.13Å; Q400-Y547 VanDerWaalsContact NE2-O 3.16Å; K545-Y547 HydrophobicContact CB-CD2 4.1Å; K545-Y547 HydrophobicContact CB-CE2 3.59Å; K545-Y547 HydrophobicContact CG-CE2 4.21Å; Y547-M549 HydrophobicContact CD1-CB 4.37Å; Y547-L560 HydrophobicContact CD1-CB 4.44Å; Y547-L560 HydrophobicContact CE1-CB 4.15Å; Y547-V562 HydrophobicContact CD2-CB 4.45Å; Y547-V562 HydrophobicContact CD2-CG2 3.41Å; Y547-V562 VanDerWaalsContact CD2-CG2 3.41Å; Y547-V562 HydrophobicContact CE2-CG2 4.08Å; Y547-V562 HydrophobicContact CG-CG2 3.96Å |
| 548 | P | 88.3 | Confident | 88.6 | Confident | 3 Ų | 3 | 40 Ų | 40 | 2% | 0.019 | 22% | 0.218 | C | C | . | . | S | Bend | cis | -60 | 162.9 | -11.5 | -22.8 | 36 | 0 | 0 | 0 | 113.2 | H264 R267 M559 L560 | H264-P548 WeakPolarHBondContact CA-O 3.19Å; H264-P548 PolarHBondContact ND1-O 3.47Å; H264-P548 VanDerWaalsContact ND1-O 3.08Å; R267-P548 HydrophobicContact CB-CB 4.49Å; R267-P548 HydrophobicContact CB-CG 4.08Å; P548-M559 HydrophobicContact CB-CB 4.43Å; P548-M559 HydrophobicContact CB-CE 3.48Å; P548-M559 VanDerWaalsContact CB-CE 3.48Å; P548-M559 HydrophobicContact CB-SD 4.09Å; P548-M559 HydrophobicContact CG-CE 4.47Å; P548-L560 WeakPolarHBondContact CA-O 3.37Å |
| 549 | M | 87.9 | Confident | 87.9 | Confident | 1 Ų | 1 | 40.3 Ų | 40.3 | 1% | 0.005 | 22% | 0.219 | C | C | . | . | B | Isolated β-bridge | trans | -140.5 | 122.4 | 177.1 | -178.8 | 179 | -176 | 0 | 0 | 111 | M263 Q479 Q480 L483 F484 Y547 P551 M559 L560 | M263-M549 CarbonylContact O-C 3.4Å; M263-M549 WeakPolarHBondContact O-CA 3.44Å; Q479-M549 PolarHBondContact NE2-SD 3.43Å; Q480-M549 HydrophobicContact CG-CE 4.43Å; L483-M549 HydrophobicContact CD1-SD 3.78Å; F484-M549 HydrophobicContact CE2-CE 3.7Å; F484-M549 HydrophobicContact CE2-SD 4.44Å; F484-M549 HydrophobicContact CZ-CE 4.11Å; Y547-M549 HydrophobicContact CD1-CB 4.37Å; M549-P551 WeakPolarHBondContact O-CD 3.26Å; M549-M559 CarbonylContact O-C 3.58Å; M549-M559 WeakPolarHBondContact O-CA 3.46Å; M549-L560 PolarHBondContact N-O 3.23Å; M549-L560 PolarHBondContact O-N 3.18Å |
| 550 | V | 87.3 | Confident | 87 | Confident | 3 Ų | 3 | 35.1 Ų | 35.1 | 2% | 0.018 | 20% | 0.203 | C | C | . | . | P | Polyproline II helix | trans | -79.6 | 122.4 | 163.4 | -173.5 | 0 | 0 | 0 | 0 | 108 | M263 A554 A555 M559 | M263-V550 WeakPolarHBondContact CG-O 3.43Å; M263-V550 PolarHBondContact O-N 2.99Å; V550-A554 HydrophobicContact CG1-CB 4Å; V550-A555 WeakPolarHBondContact CG1-O 3.01Å; V550-M559 HydrophobicContact CG2-CE 3.81Å; V550-M559 HydrophobicContact CG2-CG 3.8Å; V550-M559 HydrophobicContact CG2-SD 4.45Å |
| 551 | P | 85.3 | Confident | 85.7 | Confident | 24 Ų | 24 | 36 Ų | 36 | 16% | 0.156 | 21% | 0.209 | C | C | . | . | P | Polyproline II helix | trans | -58.1 | 149.1 | 173.5 | -24.6 | 34.6 | 0 | 0 | 0 | 111.9 | F484 M549 G553 A554 E558 L560 | F484-P551 HydrophobicContact CE1-CB 4Å; F484-P551 HydrophobicContact CE1-CG 4.45Å; F484-P551 HydrophobicContact CZ-CB 3.92Å; F484-P551 HydrophobicContact CZ-CG 4.41Å; M549-P551 WeakPolarHBondContact O-CD 3.26Å; P551-G553 PolarHBondContact O-N 3Å; P551-A554 HydrophobicContact CB-CB 3.99Å; P551-A554 HydrophobicContact CG-CB 4.27Å; P551-A554 VanDerWaalsContact O-CB 3.3Å; P551-A554 WeakPolarHBondContact O-CB 3.4Å; P551-A554 PolarHBondContact O-N 3.3Å; P551-E558 WeakPolarHBondContact CD-O 3.48Å; P551-L560 HydrophobicContact CG-CD1 4.02Å; P551-L560 HydrophobicContact CG-CD2 4.48Å; P551-L560 HydrophobicContact CG-CG 3.99Å |
| 552 | P | 81.8 | Confident | 84 | Confident | 67 Ų | 67 | 36 Ų | 36 | 44% | 0.435 | 21% | 0.212 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -53.1 | 128.2 | 175.1 | -26.3 | 35.2 | 0 | 0 | 0 | 112.2 | A554 | P552-A554 PolarHBondContact O-N 3.35Š|
| 553 | G | 80.8 | Confident | 81.9 | Confident | 66 Ų | 66 | 44 Ų | 44 | 68% | 0.68 | 24% | 0.237 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 79.2 | -5.8 | 179.7 | 0 | 0 | 0 | 0 | 0 | 115.8 | P551 | P551-G553 PolarHBondContact O-N 3Š|
| 554 | A | 86.5 | Confident | 79.6 | Confident | 14 Ų | 14 | 41.5 Ų | 41.5 | 12% | 0.116 | 23% | 0.227 | C | C | . | . | S | Bend | trans | -79.9 | 163.9 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112 | K293 V550 P551 P552 E558 | K293-A554 PolarHBondContact N-O 3.14Å; V550-A554 HydrophobicContact CG1-CB 4Å; P551-A554 HydrophobicContact CB-CB 3.99Å; P551-A554 HydrophobicContact CG-CB 4.27Å; P551-A554 VanDerWaalsContact O-CB 3.3Å; P551-A554 WeakPolarHBondContact O-CB 3.4Å; P551-A554 PolarHBondContact O-N 3.3Å; P552-A554 PolarHBondContact O-N 3.35Å; A554-E558 HydrophobicContact CB-CB 4.19Å; A554-E558 WeakPolarHBondContact CB-OE2 3.47Å |
| 555 | A | 89.6 | Confident | 76.9 | Confident | 1 Ų | 1 | 47.6 Ų | 47.6 | 1% | 0.008 | 26% | 0.255 | C | S | . | . | B | Isolated β-bridge | trans | -75.8 | 152.4 | 170.9 | 0 | 0 | 0 | 0 | 0 | 111.4 | K293 Q296 V550 T557 E558 | K293-A555 HydrophobicContact CB-CB 4.39Å; Q296-A555 HydrophobicContact CB-CB 3.84Å; V550-A555 WeakPolarHBondContact CG1-O 3.01Å; A555-T557 PolarHBondContact O-N 2.75Å; A555-E558 HydrophobicContact CB-CG 4.36Å; A555-E558 PolarHBondContact N-OE2 3.45Å; A555-E558 WeakPolarHBondContact O-CB 3.39Å; A555-E558 PolarHBondContact O-N 3.16Å |
| 556 | N | 88.3 | Confident | 74.1 | Confident | 8 Ų | 8 | 52.7 Ų | 52.7 | 4% | 0.043 | 29% | 0.29 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -58.5 | -17.8 | 178.9 | -81.3 | 9.5 | 0 | 0 | 0 | 113.9 | N270 A290 I291 G292 M559 | N270-N556 HydrophobicContact CB-CB 4.01Å; N270-N556 WeakPolarHBondContact CB-O 3.45Å; N270-N556 PolarHBondContact ND2-O 2.76Å; N270-N556 PolarHBondContact OD1-ND2 2.76Å; A290-N556 PolarHBondContact O-ND2 3.43Å; I291-N556 VanDerWaalsContact C-OD1 3.29Å; I291-N556 PolarHBondContact O-OD1 2.89Å; G292-N556 PolarHBondContact N-OD1 3.18Å; N556-M559 WeakPolarHBondContact O-CG 3.31Å |
| 557 | T | 84.7 | Confident | 71.7 | Confident | 38 Ų | 38 | 54.6 Ų | 54.6 | 23% | 0.233 | 31% | 0.31 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -81.2 | -13 | 176 | 49.6 | 0 | 0 | 0 | 0 | 113.8 | Y271 Q274 A555 M559 | Y271-T557 HydrophobicContact CD1-CG2 4.18Å; Y271-T557 HydrophobicContact CE1-CG2 4.19Å; Y271-T557 PolarHBondContact OH-O 3.23Å; Q274-T557 HydrophobicContact CB-CG2 4.05Å; Q274-T557 HydrophobicContact CG-CG2 3.89Å; A555-T557 PolarHBondContact O-N 2.75Å; T557-M559 VanDerWaalsContact C-N 3.32Å; T557-M559 PolarHBondContact O-N 2.73Å |
| 558 | E | 83.7 | Confident | 69.5 | Low | 107 Ų | 107 | 54.6 Ų | 54.6 | 50% | 0.5 | 32% | 0.315 | S | S | . | . | S | Bend | trans | -95.5 | 36.8 | -176 | -59.7 | 179.2 | 121.3 | 0 | 0 | 112.1 | P551 A554 A555 | P551-E558 WeakPolarHBondContact CD-O 3.48Å; A554-E558 HydrophobicContact CB-CB 4.19Å; A554-E558 WeakPolarHBondContact CB-OE2 3.47Å; A555-E558 HydrophobicContact CB-CG 4.36Å; A555-E558 PolarHBondContact N-OE2 3.45Å; A555-E558 WeakPolarHBondContact O-CB 3.39Å; A555-E558 PolarHBondContact O-N 3.16Å |
| 559 | M | 82.4 | Confident | 67.4 | Low | 6 Ų | 6 | 57.3 Ų | 57.3 | 3% | 0.03 | 33% | 0.328 | C | S | . | . | trans | -71.6 | 135.3 | -174.3 | -55.2 | -170.3 | 90.3 | 0 | 0 | 113.5 | G265 R267 N270 P548 M549 V550 N556 T557 | G265-M559 WeakPolarHBondContact O-CE 3.13Å; R267-M559 VanDerWaalsContact CA-SD 3.55Å; R267-M559 HydrophobicContact CB-SD 3.87Å; R267-M559 HydrophobicContact CG-SD 3.94Å; N270-M559 HydrophobicContact CB-SD 4.06Å; N270-M559 WeakPolarHBondContact ND2-CE 3.48Å; N270-M559 PolarHBondContact ND2-SD 2.82Å; P548-M559 HydrophobicContact CB-CB 4.43Å; P548-M559 HydrophobicContact CB-CE 3.48Å; P548-M559 VanDerWaalsContact CB-CE 3.48Å; P548-M559 HydrophobicContact CB-SD 4.09Å; P548-M559 HydrophobicContact CG-CE 4.47Å; M549-M559 CarbonylContact O-C 3.58Å; M549-M559 WeakPolarHBondContact O-CA 3.46Å; V550-M559 HydrophobicContact CG2-CE 3.81Å; V550-M559 HydrophobicContact CG2-CG 3.8Å; V550-M559 HydrophobicContact CG2-SD 4.45Å; N556-M559 WeakPolarHBondContact O-CG 3.31Å; T557-M559 VanDerWaalsContact C-N 3.32Å; T557-M559 PolarHBondContact O-N 2.73Å | ||
| 560 | L | 77.7 | Confident | 65.2 | Low | 49 Ų | 49 | 62.2 Ų | 62.2 | 26% | 0.257 | 36% | 0.358 | S | S | . | . | B | Isolated β-bridge | trans | -77.9 | 144.2 | 166.5 | -54.5 | 179 | 0 | 0 | 0 | 110.8 | F484 Y547 P548 M549 P551 | F484-L560 HydrophobicContact CZ-CD1 4.38Å; Y547-L560 HydrophobicContact CD1-CB 4.44Å; Y547-L560 HydrophobicContact CE1-CB 4.15Å; P548-L560 WeakPolarHBondContact CA-O 3.37Å; M549-L560 PolarHBondContact N-O 3.23Å; M549-L560 PolarHBondContact O-N 3.18Å; P551-L560 HydrophobicContact CG-CD1 4.02Å; P551-L560 HydrophobicContact CG-CD2 4.48Å; P551-L560 HydrophobicContact CG-CG 3.99Å |
| 561 | T | 69.2 | Low | 63.3 | Low | 30 Ų | 30 | 67.5 Ų | 67.5 | 18% | 0.184 | 38% | 0.382 | C | S | . | . | trans | -138.4 | 162.7 | 175.2 | 63 | 0 | 0 | 0 | 0 | 110.4 | R563 N564 | T561-R563 PolarHBondContact O-N 2.99Å; T561-N564 PolarHBondContact O-N 2.8Å | ||
| 562 | V | 55.9 | Low | 61.6 | Low | 96 Ų | 96 | 66.9 Ų | 66.9 | 58% | 0.582 | 38% | 0.378 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -52.7 | -19.2 | -178.3 | -177.9 | 0 | 0 | 0 | 0 | 113.8 | Y547 | Y547-V562 HydrophobicContact CD2-CB 4.45Å; Y547-V562 HydrophobicContact CD2-CG2 3.41Å; Y547-V562 VanDerWaalsContact CD2-CG2 3.41Å; Y547-V562 HydrophobicContact CE2-CG2 4.08Å; Y547-V562 HydrophobicContact CG-CG2 3.96Å |
| 563 | R | 45 | Very low | 60.1 | Low | 195 Ų | 195 | 66.6 Ų | 66.6 | 74% | 0.736 | 38% | 0.377 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -104.7 | 4.6 | 179 | -78 | -170.2 | -178.8 | -177.3 | 2.2 | 116 | T561 | T561-R563 PolarHBondContact O-N 2.99Š|
| 564 | N | 38.4 | Very low | 58.7 | Low | 55 Ų | 55 | 64.4 Ų | 64.4 | 29% | 0.294 | 35% | 0.354 | S | S | . | . | trans | -102.2 | 76.4 | 168.5 | -95.6 | -8.8 | 0 | 0 | 0 | 109.3 | T561 M569 | T561-N564 PolarHBondContact O-N 2.8Å; N564-M569 WeakPolarHBondContact OD1-CB 3.42Å | ||
| 565 | H | 33.3 | Very low | 57.2 | Low | 168 Ų | 168 | 65.5 Ų | 65.5 | 78% | 0.778 | 36% | 0.358 | S | S | * | . | trans | -61.1 | 135.7 | 149.3 | -95.3 | -68.9 | 0 | 0 | 0 | 107.4 | G567 | H565-G567 PolarHBondContact O-N 3.16Å; H565-G567 VanDerWaalsContact O-N 3.16Å | ||
| 566 | P | 29.9 | Very low | 55.7 | Low | 129 Ų | 129 | 66.2 Ų | 66.2 | 84% | 0.838 | 36% | 0.361 | S | S | * | . | S | Bend | trans | -68.6 | 115.7 | -159.9 | -10.4 | 26 | 0 | 0 | 0 | 110.4 | ||
| 567 | G | 42 | Very low | 53.9 | Low | 40 Ų | 40 | 70 Ų | 70 | 41% | 0.412 | 39% | 0.393 | S | S | . | . | S | Bend | trans | 145.4 | -59.5 | 166 | 0 | 0 | 0 | 0 | 0 | 116.2 | H565 H571 | H565-G567 PolarHBondContact O-N 3.16Å; H565-G567 VanDerWaalsContact O-N 3.16Å; G567-H571 WeakPolarHBondContact O-CB 3.43Å; G567-H571 PolarHBondContact O-N 2.91Å; G567-H571 VanDerWaalsContact O-N 3.1Å |
| 568 | V | 41.9 | Very low | 52.2 | Low | 47 Ų | 47 | 78.2 Ų | 78.2 | 29% | 0.285 | 42% | 0.42 | S | S | . | . | H | α-helix | trans | -69.9 | -46.2 | -161 | -178.6 | 0 | 0 | 0 | 0 | 113.2 | H571 V572 | V568-H571 PolarHBondContact O-N 2.83Å; V568-V572 WeakPolarHBondContact O-CG2 3.46Å; V568-V572 PolarHBondContact O-N 3.33Å |
| 569 | M | 43.2 | Very low | 50.7 | Low | 60 Ų | 60 | 79.4 Ų | 79.4 | 30% | 0.296 | 42% | 0.42 | S | S | . | . | H | α-helix | trans | -73.6 | -32.8 | -175.4 | -152.6 | 50.3 | 62.3 | 0 | 0 | 112.5 | N564 H571 C573 I599 | N564-M569 WeakPolarHBondContact OD1-CB 3.42Å; M569-H571 VanDerWaalsContact C-N 3.32Å; M569-C573 WeakPolarHBondContact O-CB 3.41Å; M569-C573 PolarHBondContact O-N 2.88Å; M569-C573 PolarHBondContact O-SG 3.23Å; M569-C573 VanDerWaalsContact O-SG 3.38Å; M569-I599 HydrophobicContact CE-CD1 4.44Å |
| 570 | T | 43.1 | Very low | 49.4 | Very low | 103 Ų | 103 | 82.3 Ų | 82.3 | 63% | 0.632 | 45% | 0.445 | S | S | * | . | H | α-helix | trans | -64.5 | -37.5 | 171.1 | -49.4 | 0 | 0 | 0 | 0 | 111.4 | G574 | T570-G574 WeakPolarHBondContact O-CA 3.28Å; T570-G574 PolarHBondContact O-N 2.79Å |
| 571 | H | 47.9 | Very low | 48.4 | Very low | 114 Ų | 114 | 81.1 Ų | 81.1 | 53% | 0.528 | 44% | 0.438 | S | S | . | . | H | α-helix | trans | -69.3 | -47.1 | 178.9 | -151.8 | 96.5 | 0 | 0 | 0 | 111.7 | G567 V568 M569 G574 L575 | G567-H571 WeakPolarHBondContact O-CB 3.43Å; G567-H571 PolarHBondContact O-N 2.91Å; G567-H571 VanDerWaalsContact O-N 3.1Å; V568-H571 PolarHBondContact O-N 2.83Å; M569-H571 VanDerWaalsContact C-N 3.32Å; H571-G574 PolarHBondContact O-N 2.72Å; H571-L575 WeakPolarHBondContact O-CB 3.32Å; H571-L575 PolarHBondContact O-N 3.36Å |
| 572 | V | 49.3 | Very low | 47.9 | Very low | 12 Ų | 12 | 85 Ų | 85 | 7% | 0.073 | 46% | 0.457 | C | S | . | . | H | α-helix | trans | -66.2 | -49.7 | -180 | 177.4 | 0 | 0 | 0 | 0 | 111.1 | V568 G574 L575 F576 | V568-V572 WeakPolarHBondContact O-CG2 3.46Å; V568-V572 PolarHBondContact O-N 3.33Å; V572-G574 VanDerWaalsContact C-N 3.35Å; V572-G574 PolarHBondContact O-N 2.89Å; V572-L575 PolarHBondContact O-N 3.2Å; V572-F576 HydrophobicContact CG1-CD2 4.15Å; V572-F576 HydrophobicContact CG1-CE2 3.7Å; V572-F576 WeakPolarHBondContact O-CD2 3.4Å; V572-F576 PolarHBondContact O-N 3.3Å |
| 573 | C | 50 | Low | 48.1 | Very low | 60 Ų | 60 | 82.1 Ų | 82.1 | 41% | 0.405 | 44% | 0.44 | S | S | . | . | H | α-helix | trans | -64.9 | -37.7 | 177.3 | -67.9 | 0 | 0 | 0 | 0 | 112.4 | M569 L575 F576 A577 | M569-C573 WeakPolarHBondContact O-CB 3.41Å; M569-C573 PolarHBondContact O-N 2.88Å; M569-C573 PolarHBondContact O-SG 3.23Å; M569-C573 VanDerWaalsContact O-SG 3.38Å; C573-L575 VanDerWaalsContact C-N 3.31Å; C573-L575 PolarHBondContact O-N 3.18Å; C573-F576 PolarHBondContact O-N 3.19Å; C573-A577 WeakPolarHBondContact O-CB 3.49Å; C573-A577 PolarHBondContact O-N 3.05Å; C573-A577 VanDerWaalsContact O-N 3.14Å |
| 574 | G | 52 | Low | 48.6 | Very low | 20 Ų | 20 | 78.7 Ų | 78.7 | 21% | 0.206 | 43% | 0.432 | C | S | . | . | H | α-helix | trans | -64.9 | -31.4 | 176.8 | 0 | 0 | 0 | 0 | 0 | 113.8 | T570 H571 V572 R578 | T570-G574 WeakPolarHBondContact O-CA 3.28Å; T570-G574 PolarHBondContact O-N 2.79Å; H571-G574 PolarHBondContact O-N 2.72Å; V572-G574 VanDerWaalsContact C-N 3.35Å; V572-G574 PolarHBondContact O-N 2.89Å; G574-R578 WeakPolarHBondContact O-CD 3.38Å; G574-R578 WeakPolarHBondContact O-CG 3.39Å; G574-R578 PolarHBondContact O-N 3.23Å; G574-R578 PolarHBondContact O-NE 3.49Å |
| 575 | L | 53.5 | Low | 49.2 | Very low | 38 Ų | 38 | 77.1 Ų | 77.1 | 20% | 0.199 | 43% | 0.428 | C | S | . | . | H | α-helix | trans | -70.4 | -40.5 | 179 | -125 | 120.1 | 0 | 0 | 0 | 112.7 | H571 V572 C573 L619 | H571-L575 WeakPolarHBondContact O-CB 3.32Å; H571-L575 PolarHBondContact O-N 3.36Å; V572-L575 PolarHBondContact O-N 3.2Å; C573-L575 VanDerWaalsContact C-N 3.31Å; C573-L575 PolarHBondContact O-N 3.18Å; L575-L619 HydrophobicContact CD1-CD2 3.64Å; L575-L619 HydrophobicContact CD2-CD2 4.32Å |
| 576 | F | 59.3 | Low | 50.4 | Low | 16 Ų | 16 | 72.8 Ų | 72.8 | 7% | 0.07 | 41% | 0.41 | C | S | . | . | H | α-helix | trans | -80.6 | -36.7 | -177.7 | -64.8 | -65.5 | 0 | 0 | 0 | 112.7 | V572 C573 R578 R579 F581 V583 L601 M612 I616 | V572-F576 HydrophobicContact CG1-CD2 4.15Å; V572-F576 HydrophobicContact CG1-CE2 3.7Å; V572-F576 WeakPolarHBondContact O-CD2 3.4Å; V572-F576 PolarHBondContact O-N 3.3Å; C573-F576 PolarHBondContact O-N 3.19Å; F576-R578 VanDerWaalsContact C-N 3.27Å; F576-R578 PolarHBondContact O-N 3.38Å; F576-R579 PolarHBondContact O-N 2.84Å; F576-F581 HydrophobicContact CD1-CB 4.12Å; F576-F581 HydrophobicContact CD1-CD2 4.05Å; F576-F581 HydrophobicContact CD1-CG 4.36Å; F576-V583 HydrophobicContact CB-CG2 4.49Å; F576-V583 HydrophobicContact CD1-CG2 4.2Å; F576-V583 HydrophobicContact CG-CG2 4.31Å; F576-L601 HydrophobicContact CE1-CD1 4.37Å; F576-L601 HydrophobicContact CE2-CD1 4.15Å; F576-L601 HydrophobicContact CE2-CD2 4.4Å; F576-L601 HydrophobicContact CZ-CD1 3.66Å; F576-M612 HydrophobicContact CE1-CE 4.16Å; F576-I616 HydrophobicContact CE1-CD1 4.08Å; F576-I616 HydrophobicContact CE1-CG1 4.05Å; F576-I616 HydrophobicContact CZ-CD1 3.74Å; F576-I616 HydrophobicContact CZ-CG1 3.6Å |
| 577 | A | 48.8 | Very low | 51.2 | Low | 87 Ų | 87 | 71 Ų | 71 | 72% | 0.719 | 39% | 0.393 | S | S | * | . | H | α-helix | trans | -62.1 | -33.1 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.8 | C573 | C573-A577 WeakPolarHBondContact O-CB 3.49Å; C573-A577 PolarHBondContact O-N 3.05Å; C573-A577 VanDerWaalsContact O-N 3.14Å |
| 578 | R | 50.3 | Low | 51.8 | Low | 211 Ų | 211 | 71.4 Ų | 71.4 | 80% | 0.796 | 39% | 0.389 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80.2 | -12.9 | -177.6 | -70.1 | 178.7 | -154.1 | -156.5 | 6.3 | 114.9 | G574 F576 | G574-R578 WeakPolarHBondContact O-CD 3.38Å; G574-R578 WeakPolarHBondContact O-CG 3.39Å; G574-R578 PolarHBondContact O-N 3.23Å; G574-R578 PolarHBondContact O-NE 3.49Å; F576-R578 VanDerWaalsContact C-N 3.27Å; F576-R578 PolarHBondContact O-N 3.38Å |
| 579 | R | 52.3 | Low | 51.9 | Low | 132 Ų | 132 | 73.2 Ų | 73.2 | 50% | 0.498 | 40% | 0.397 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -125.3 | 14.8 | -168.2 | -71.5 | -172.5 | 175.1 | 174.5 | 0.9 | 115.5 | F576 F581 | F576-R579 PolarHBondContact O-N 2.84Å; R579-F581 HydrophobicContact CB-CD2 3.56Å; R579-F581 HydrophobicContact CB-CE2 3.36Å; R579-F581 HydrophobicContact CB-CZ 4.36Å; R579-F581 HydrophobicContact CG-CE2 4.29Å; R579-F581 PolarHBondContact O-N 2.85Å |
| 580 | A | 54.3 | Low | 52.1 | Low | 67 Ų | 67 | 74 Ų | 74 | 55% | 0.554 | 41% | 0.406 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 52.8 | 39.7 | 176.2 | 0 | 0 | 0 | 0 | 0 | 113.2 | R608 | A580-R608 PolarHBondContact O-NH1 2.65Š|
| 581 | F | 57.6 | Low | 52.9 | Low | 24 Ų | 24 | 71.3 Ų | 71.3 | 11% | 0.105 | 39% | 0.388 | C | S | . | . | trans | -83.7 | 117.9 | 169.2 | -68.3 | -69 | 0 | 0 | 0 | 108 | F576 R579 V583 R608 Q611 M612 | F576-F581 HydrophobicContact CD1-CB 4.12Å; F576-F581 HydrophobicContact CD1-CD2 4.05Å; F576-F581 HydrophobicContact CD1-CG 4.36Å; R579-F581 HydrophobicContact CB-CD2 3.56Å; R579-F581 HydrophobicContact CB-CE2 3.36Å; R579-F581 HydrophobicContact CB-CZ 4.36Å; R579-F581 HydrophobicContact CG-CE2 4.29Å; R579-F581 PolarHBondContact O-N 2.85Å; F581-V583 HydrophobicContact CB-CG2 4.41Å; F581-V583 PolarHBondContact O-N 2.82Å; F581-R608 HydrophobicContact CD1-CB 4.34Å; F581-R608 HydrophobicContact CE1-CB 4.32Å; F581-Q611 HydrophobicContact CE1-CB 4.42Å; F581-M612 HydrophobicContact CB-CE 4.27Å; F581-M612 HydrophobicContact CB-CG 4.34Å; F581-M612 HydrophobicContact CB-SD 4.01Å; F581-M612 HydrophobicContact CD1-CG 3.17Å; F581-M612 HydrophobicContact CD1-SD 3.66Å; F581-M612 HydrophobicContact CE1-CG 3.45Å; F581-M612 VanDerWaalsContact CE1-CG 3.45Å; F581-M612 HydrophobicContact CE1-SD 4.47Å; F581-M612 HydrophobicContact CG-CG 3.81Å; F581-M612 HydrophobicContact CG-SD 4.11Å; F581-M612 HydrophobicContact CZ-CG 4.27Å | ||
| 582 | N | 57.9 | Low | 52.8 | Low | 111 Ų | 111 | 74.6 Ų | 74.6 | 59% | 0.594 | 40% | 0.403 | S | S | * | . | trans | -73.1 | 76.4 | 178 | -78.3 | -11 | 0 | 0 | 0 | 110.1 | ||||
| 583 | V | 60.7 | Low | 52.4 | Low | 36 Ų | 36 | 82.4 Ų | 82.4 | 22% | 0.218 | 45% | 0.445 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84 | 112.4 | 170.7 | -178.7 | 0 | 0 | 0 | 0 | 107.4 | F576 F581 G585 I586 L601 L602 M612 | F576-V583 HydrophobicContact CB-CG2 4.49Å; F576-V583 HydrophobicContact CD1-CG2 4.2Å; F576-V583 HydrophobicContact CG-CG2 4.31Å; F581-V583 HydrophobicContact CB-CG2 4.41Å; F581-V583 PolarHBondContact O-N 2.82Å; V583-G585 VanDerWaalsContact C-N 3.33Å; V583-G585 WeakPolarHBondContact CG1-O 3.49Å; V583-I586 HydrophobicContact CG1-CD1 4.29Å; V583-I586 HydrophobicContact CG1-CG1 3.68Å; V583-L601 HydrophobicContact CG1-CB 4.47Å; V583-L601 HydrophobicContact CG1-CD2 4.32Å; V583-L602 CarbonylContact C-O 3.11Å; V583-L602 WeakPolarHBondContact CA-O 3.29Å; V583-M612 HydrophobicContact CG2-CE 3.69Å |
| 584 | E | 54.8 | Low | 52.5 | Low | 123 Ų | 123 | 81.6 Ų | 81.6 | 58% | 0.575 | 44% | 0.44 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -80.9 | -16.7 | 180 | -64.9 | -157.9 | 155.6 | 0 | 0 | 113.2 | L602 N604 | E584-L602 HydrophobicContact CB-CB 4.32Å; E584-L602 PolarHBondContact N-O 3.33Å; E584-N604 HydrophobicContact CG-CB 4.29Å; E584-N604 PolarHBondContact OE1-ND2 2.87Å; E584-N604 PolarHBondContact OE2-ND2 2.81Å; E584-N604 PolarHBondContact OE2-OD1 2.86Å |
| 585 | G | 50.9 | Low | 52.5 | Low | 21 Ų | 21 | 84.8 Ų | 84.8 | 22% | 0.216 | 45% | 0.452 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -171.1 | 150.4 | 178.1 | 0 | 0 | 0 | 0 | 0 | 112.7 | V583 L602 | V583-G585 VanDerWaalsContact C-N 3.33Å; V583-G585 WeakPolarHBondContact CG1-O 3.49Å; G585-L602 PolarHBondContact O-N 3.11Å |
| 586 | I | 58.4 | Low | 52.5 | Low | 77 Ų | 77 | 85.5 Ų | 85.5 | 40% | 0.395 | 45% | 0.454 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.9 | 122.9 | 175 | -54.7 | -177.4 | 0 | 0 | 0 | 107.7 | V583 I599 W600 L601 | V583-I586 HydrophobicContact CG1-CD1 4.29Å; V583-I586 HydrophobicContact CG1-CG1 3.68Å; I586-I599 HydrophobicContact CG2-CG2 3.71Å; I586-W600 CarbonylContact C-O 3.57Å; I586-W600 VanDerWaalsContact CA-O 3.32Å; I586-W600 WeakPolarHBondContact CA-O 3.46Å; I586-L601 HydrophobicContact CB-CD2 4.37Å; I586-L601 HydrophobicContact CD1-CD2 4.17Å; I586-L601 HydrophobicContact CG1-CD2 3.79Å; I586-L601 HydrophobicContact CG2-CD2 4.05Å |
| 587 | L | 46.7 | Very low | 52.3 | Low | 92 Ų | 92 | 86.3 Ų | 86.3 | 48% | 0.482 | 46% | 0.461 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.6 | 119.9 | 175.4 | 171.8 | 75.1 | 0 | 0 | 0 | 109.8 | L589 I599 W600 | L587-L589 HydrophobicContact CD1-CD2 4.4Å; L587-L589 HydrophobicContact CD2-CD1 4.16Å; L587-L589 HydrophobicContact CD2-CG 4.37Å; L587-L589 HydrophobicContact CG-CG 4.22Å; L587-I599 CarbonylContact O-C 3.55Å; L587-I599 WeakPolarHBondContact O-CA 3.28Å; L587-W600 HydrophobicContact CB-CB 4.08Å; L587-W600 HydrophobicContact CD2-CG 4.48Å; L587-W600 PolarHBondContact N-O 3.42Å; L587-W600 PolarHBondContact O-N 3.24Å |
| 588 | C | 55.4 | Low | 52.9 | Low | 49 Ų | 49 | 84.9 Ų | 84.9 | 33% | 0.331 | 44% | 0.439 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.2 | 122.6 | 177.6 | -174.4 | 0 | 0 | 0 | 0 | 110.8 | H598 I599 | C588-H598 CarbonylContact C-O 3.34Å; C588-H598 WeakPolarHBondContact CA-O 3.32Å; C588-I599 HydrophobicContact CB-CG1 4.27Å |
| 589 | L | 44.7 | Very low | 53.5 | Low | 84 Ų | 84 | 75 Ų | 75 | 44% | 0.44 | 40% | 0.402 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.8 | 127.1 | 177.7 | -64.7 | 175.1 | 0 | 0 | 0 | 110.3 | L587 S597 H598 | L587-L589 HydrophobicContact CD1-CD2 4.4Å; L587-L589 HydrophobicContact CD2-CD1 4.16Å; L587-L589 HydrophobicContact CD2-CG 4.37Å; L587-L589 HydrophobicContact CG-CG 4.22Å; L589-S597 CarbonylContact O-C 3.58Å; L589-S597 WeakPolarHBondContact O-CA 3.42Å; L589-H598 PolarHBondContact N-O 2.93Å; L589-H598 PolarHBondContact O-N 3.12Å |
| 590 | P | 46 | Very low | 54.1 | Low | 77 Ų | 77 | 71.6 Ų | 71.6 | 50% | 0.5 | 39% | 0.39 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -67 | 145.8 | 171.8 | 28.9 | -33 | 0 | 0 | 0 | 110.4 | ||
| 591 | I | 61 | Low | 54.6 | Low | 47 Ų | 47 | 68.5 Ų | 68.5 | 24% | 0.241 | 36% | 0.364 | C | S | . | . | P | Polyproline II helix | trans | -88.7 | 126.6 | 169.2 | -55.5 | 174.5 | 0 | 0 | 0 | 107.4 | D593 S594 K596 H598 K640 | I591-D593 PolarHBondContact O-N 2.84Å; I591-S594 PolarHBondContact O-N 2.77Å; I591-K596 WeakPolarHBondContact CB-O 3.44Å; I591-K596 HydrophobicContact CD1-CB 3.94Å; I591-K596 WeakPolarHBondContact CG1-O 3.38Å; I591-K596 PolarHBondContact N-O 3.1Å; I591-K596 VanDerWaalsContact N-O 3.07Å; I591-H598 VanDerWaalsContact CD1-CD2 3.42Å; I591-H598 WeakPolarHBondContact CD1-CD2 3.45Å; I591-H598 VanDerWaalsContact CD1-NE2 3.28Å; I591-H598 WeakPolarHBondContact CD1-NE2 3.28Å; I591-K640 HydrophobicContact CD1-CD 4.45Å; I591-K640 VanDerWaalsContact CD1-CE 3.46Å; I591-K640 HydrophobicContact CD1-CG 4.33Å |
| 592 | Q | 44.4 | Very low | 54.8 | Low | 183 Ų | 183 | 70.8 Ų | 70.8 | 86% | 0.855 | 38% | 0.377 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.1 | 136 | 173.8 | -99.1 | -179.3 | -33.7 | 0 | 0 | 110.6 | S594 | Q592-S594 PolarHBondContact O-N 3.04Š|
| 593 | D | 40.9 | Very low | 55.2 | Low | 175 Ų | 175 | 65.5 Ų | 65.5 | 94% | 0.936 | 35% | 0.348 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 55.9 | 30.8 | 178.8 | -54.8 | -34.6 | 0 | 0 | 0 | 115.1 | I591 | I591-D593 PolarHBondContact O-N 2.84Š|
| 594 | S | 52 | Low | 55.4 | Low | 44 Ų | 44 | 67 Ų | 67 | 31% | 0.308 | 36% | 0.355 | S | S | . | . | S | Bend | trans | -135.2 | 144.5 | 174.5 | -176.3 | 0 | 0 | 0 | 0 | 111.1 | I591 Q592 K596 | I591-S594 PolarHBondContact O-N 2.77Å; Q592-S594 PolarHBondContact O-N 3.04Å; S594-K596 PolarHBondContact O-N 3.01Å; S594-K596 VanDerWaalsContact OG-CB 3.31Å; S594-K596 WeakPolarHBondContact OG-CB 3.38Å; S594-K596 PolarHBondContact OG-N 3.25Å |
| 595 | D | 51.6 | Low | 55.9 | Low | 87 Ų | 87 | 63 Ų | 63 | 47% | 0.465 | 34% | 0.338 | S | S | . | . | S | Bend | trans | -63.5 | 13.8 | 161.5 | 64.3 | -31.8 | 0 | 0 | 0 | 113.9 | A643 | D595-A643 PolarHBondContact O-N 3.38Š|
| 596 | K | 55.4 | Low | 56.6 | Low | 53 Ų | 53 | 67.5 Ų | 67.5 | 23% | 0.23 | 36% | 0.357 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125 | 148.6 | -171.2 | -61 | 167.3 | -169.1 | -177 | 0 | 112.1 | I591 S594 V623 K640 V641 | I591-K596 WeakPolarHBondContact CB-O 3.44Å; I591-K596 HydrophobicContact CD1-CB 3.94Å; I591-K596 WeakPolarHBondContact CG1-O 3.38Å; I591-K596 PolarHBondContact N-O 3.1Å; I591-K596 VanDerWaalsContact N-O 3.07Å; S594-K596 PolarHBondContact O-N 3.01Å; S594-K596 VanDerWaalsContact OG-CB 3.31Å; S594-K596 WeakPolarHBondContact OG-CB 3.38Å; S594-K596 PolarHBondContact OG-N 3.25Å; K596-V623 HydrophobicContact CD-CG2 4.16Å; K596-V623 HydrophobicContact CG-CG2 4.48Å; K596-K640 HydrophobicContact CB-CD 4.46Å; K596-K640 HydrophobicContact CB-CG 3.95Å; K596-K640 HydrophobicContact CD-CD 3.78Å; K596-K640 HydrophobicContact CD-CG 4.01Å; K596-K640 HydrophobicContact CG-CG 4.32Å; K596-V641 CarbonylContact C-O 3.5Å; K596-V641 WeakPolarHBondContact CA-O 3.49Å |
| 597 | S | 53.2 | Low | 56.8 | Low | 32 Ų | 32 | 72.6 Ų | 72.6 | 22% | 0.224 | 38% | 0.379 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.8 | 152 | 171.5 | -61.9 | 0 | 0 | 0 | 0 | 110.7 | L589 K640 V641 | L589-S597 CarbonylContact O-C 3.58Å; L589-S597 WeakPolarHBondContact O-CA 3.42Å; S597-K640 CarbonylContact O-C 3.59Å; S597-K640 VanDerWaalsContact O-CA 3.28Å; S597-K640 WeakPolarHBondContact O-CA 3.4Å; S597-V641 PolarHBondContact N-O 2.86Å; S597-V641 PolarHBondContact O-N 3.08Å |
| 598 | H | 63.5 | Low | 57.7 | Low | 57 Ų | 57 | 73 Ų | 73 | 26% | 0.264 | 37% | 0.374 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.5 | 117.9 | 163.6 | -72.8 | 178 | 0 | 0 | 0 | 108.8 | C588 L589 I591 I638 V639 | C588-H598 CarbonylContact C-O 3.34Å; C588-H598 WeakPolarHBondContact CA-O 3.32Å; L589-H598 PolarHBondContact N-O 2.93Å; L589-H598 PolarHBondContact O-N 3.12Å; I591-H598 VanDerWaalsContact CD1-CD2 3.42Å; I591-H598 WeakPolarHBondContact CD1-CD2 3.45Å; I591-H598 VanDerWaalsContact CD1-NE2 3.28Å; I591-H598 WeakPolarHBondContact CD1-NE2 3.28Å; H598-I638 HydrophobicContact CB-CG2 4.18Å; H598-V639 WeakPolarHBondContact CA-O 3.38Å |
| 599 | I | 62.9 | Low | 58.4 | Low | 4 Ų | 4 | 71.6 Ų | 71.6 | 2% | 0.021 | 36% | 0.363 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94 | 128.9 | 162.5 | -61.1 | 172.3 | 0 | 0 | 0 | 107.7 | M569 I586 L587 C588 L601 I638 V639 V641 | M569-I599 HydrophobicContact CE-CD1 4.44Å; I586-I599 HydrophobicContact CG2-CG2 3.71Å; L587-I599 CarbonylContact O-C 3.55Å; L587-I599 WeakPolarHBondContact O-CA 3.28Å; C588-I599 HydrophobicContact CB-CG1 4.27Å; I599-L601 HydrophobicContact CG2-CD2 3.83Å; I599-L601 HydrophobicContact CG2-CG 4.29Å; I599-I638 CarbonylContact O-C 3.51Å; I599-I638 WeakPolarHBondContact O-CA 3.2Å; I599-V639 HydrophobicContact CB-CB 4.11Å; I599-V639 PolarHBondContact N-O 2.86Å; I599-V639 PolarHBondContact O-N 3.33Å; I599-V641 HydrophobicContact CB-CG2 4.37Å; I599-V641 HydrophobicContact CD1-CG2 3.41Å; I599-V641 VanDerWaalsContact CD1-CG2 3.41Å; I599-V641 HydrophobicContact CG1-CG2 3.55Å |
| 600 | W | 63 | Low | 59.5 | Low | 61 Ų | 61 | 75.2 Ų | 75.2 | 23% | 0.231 | 38% | 0.378 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.4 | 122 | 172.1 | -64.9 | 75.1 | 0 | 0 | 0 | 108 | I586 L587 A636 L637 I638 | I586-W600 CarbonylContact C-O 3.57Å; I586-W600 VanDerWaalsContact CA-O 3.32Å; I586-W600 WeakPolarHBondContact CA-O 3.46Å; L587-W600 HydrophobicContact CB-CB 4.08Å; L587-W600 HydrophobicContact CD2-CG 4.48Å; L587-W600 PolarHBondContact N-O 3.42Å; L587-W600 PolarHBondContact O-N 3.24Å; W600-A636 HydrophobicContact CE3-CB 3.55Å; W600-A636 HydrophobicContact CZ3-CB 3.65Å; W600-L637 VanDerWaalsContact CA-O 3.29Å; W600-L637 WeakPolarHBondContact CA-O 3.42Å; W600-I638 HydrophobicContact CD2-CG1 4.08Å; W600-I638 HydrophobicContact CE3-CG1 3.99Å; W600-I638 HydrophobicContact CH2-CD1 3.47Å; W600-I638 VanDerWaalsContact CH2-CD1 3.47Å; W600-I638 HydrophobicContact CH2-CG1 3.7Å; W600-I638 HydrophobicContact CZ2-CD1 3.69Å; W600-I638 HydrophobicContact CZ2-CG1 3.81Å; W600-I638 HydrophobicContact CZ3-CD1 3.99Å; W600-I638 HydrophobicContact CZ3-CG1 3.79Å |
| 601 | L | 65.5 | Low | 60.5 | Low | 2 Ų | 2 | 77.2 Ų | 77.2 | 1% | 0.01 | 38% | 0.38 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.9 | 126.1 | 170.1 | -51.5 | 171.4 | 0 | 0 | 0 | 108.6 | F576 V583 I586 I599 V603 I616 A636 L637 V639 | F576-L601 HydrophobicContact CE1-CD1 4.37Å; F576-L601 HydrophobicContact CE2-CD1 4.15Å; F576-L601 HydrophobicContact CE2-CD2 4.4Å; F576-L601 HydrophobicContact CZ-CD1 3.66Å; V583-L601 HydrophobicContact CG1-CB 4.47Å; V583-L601 HydrophobicContact CG1-CD2 4.32Å; I586-L601 HydrophobicContact CB-CD2 4.37Å; I586-L601 HydrophobicContact CD1-CD2 4.17Å; I586-L601 HydrophobicContact CG1-CD2 3.79Å; I586-L601 HydrophobicContact CG2-CD2 4.05Å; I599-L601 HydrophobicContact CG2-CD2 3.83Å; I599-L601 HydrophobicContact CG2-CG 4.29Å; L601-V603 HydrophobicContact CB-CG2 4.29Å; L601-I616 HydrophobicContact CD1-CD1 3.3Å; L601-I616 HydrophobicContact CD1-CG1 4.34Å; L601-A636 WeakPolarHBondContact O-CA 3.01Å; L601-L637 HydrophobicContact CB-CB 3.9Å; L601-L637 HydrophobicContact CD1-CB 4.32Å; L601-L637 HydrophobicContact CD1-CD1 4.46Å; L601-L637 HydrophobicContact CG-CB 4.35Å; L601-L637 PolarHBondContact N-O 3.48Å; L601-L637 VanDerWaalsContact N-O 3.08Å; L601-L637 PolarHBondContact O-N 3.48Å; L601-L637 VanDerWaalsContact O-N 3.12Å; L601-V639 HydrophobicContact CD1-CG2 4.33Å |
| 602 | L | 62.2 | Low | 60.8 | Low | 71 Ų | 71 | 75 Ų | 75 | 37% | 0.372 | 37% | 0.369 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.1 | 124.1 | 170 | -80.9 | 143.3 | 0 | 0 | 0 | 108.6 | V583 E584 G585 N634 | V583-L602 CarbonylContact C-O 3.11Å; V583-L602 WeakPolarHBondContact CA-O 3.29Å; E584-L602 HydrophobicContact CB-CB 4.32Å; E584-L602 PolarHBondContact N-O 3.33Å; G585-L602 PolarHBondContact O-N 3.11Å; L602-N634 HydrophobicContact CD2-CB 4.19Å |
| 603 | V | 66.6 | Low | 62.1 | Low | 0 Ų | 0 | 68 Ų | 68 | 0% | 0 | 34% | 0.338 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.7 | 134.4 | -175.4 | -162.2 | 0 | 0 | 0 | 0 | 109.1 | L601 M612 I635 L637 | L601-V603 HydrophobicContact CB-CG2 4.29Å; V603-M612 HydrophobicContact CB-CE 4.43Å; V603-M612 HydrophobicContact CG1-CE 3.97Å; V603-M612 HydrophobicContact CG1-SD 3.55Å; V603-M612 VanDerWaalsContact CG1-SD 3.55Å; V603-M612 HydrophobicContact CG2-CE 3.51Å; V603-M612 HydrophobicContact CG2-SD 4.15Å; V603-I635 PolarHBondContact N-O 3.14Å; V603-I635 PolarHBondContact O-N 3.48Å; V603-L637 HydrophobicContact CG2-CD1 4.14Å |
| 604 | N | 63.7 | Low | 63.2 | Low | 67 Ų | 67 | 62.3 Ų | 62.3 | 36% | 0.358 | 31% | 0.311 | S | S | . | . | trans | -108.8 | 9.7 | 179 | -82.8 | 16.8 | 0 | 0 | 0 | 113.9 | E584 N633 N634 | E584-N604 HydrophobicContact CG-CB 4.29Å; E584-N604 PolarHBondContact OE1-ND2 2.87Å; E584-N604 PolarHBondContact OE2-ND2 2.81Å; E584-N604 PolarHBondContact OE2-OD1 2.86Å; N604-N633 PolarHBondContact OD1-O 3.09Å; N604-N634 PolarHBondContact OD1-ND2 3.04Å; N604-N634 PolarHBondContact OD1-OD1 3.44Å; N604-N634 VanDerWaalsContact OD1-OD1 3.09Å | ||
| 605 | D | 66.3 | Low | 63.7 | Low | 39 Ų | 39 | 62.9 Ų | 62.9 | 21% | 0.209 | 31% | 0.309 | C | S | . | . | trans | -119.4 | 93.6 | -179.3 | -172.9 | -3.2 | 0 | 0 | 0 | 111 | Q607 R608 L609 | D605-Q607 PolarHBondContact O-N 3.44Å; D605-Q607 WeakPolarHBondContact OD1-CB 3.5Å; D605-Q607 PolarHBondContact OD1-N 3.49Å; D605-R608 PolarHBondContact O-N 3.21Å; D605-R608 WeakPolarHBondContact OD2-CD 3.39Å; D605-R608 WeakPolarHBondContact OD2-CG 3.5Å; D605-R608 IonicContact OD2-NE 3.42Å; D605-L609 PolarHBondContact O-N 3.22Å | ||
| 606 | D | 64.3 | Low | 64.2 | Low | 116 Ų | 116 | 58.9 Ų | 58.9 | 62% | 0.62 | 29% | 0.288 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.6 | -30.4 | 175.9 | -73 | -5.8 | 0 | 0 | 0 | 112.4 | R608 I635 | D606-R608 VanDerWaalsContact C-N 3.26Å; D606-R608 PolarHBondContact O-N 2.78Å; D606-I635 WeakPolarHBondContact OD1-CD1 3.34Å |
| 607 | Q | 63.6 | Low | 64.5 | Low | 184 Ų | 184 | 61 Ų | 61 | 86% | 0.86 | 30% | 0.301 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.5 | -20.1 | -175.2 | -66.2 | -170 | -8.4 | 0 | 0 | 113 | D605 | D605-Q607 PolarHBondContact O-N 3.44Å; D605-Q607 WeakPolarHBondContact OD1-CB 3.5Å; D605-Q607 PolarHBondContact OD1-N 3.49Å |
| 608 | R | 66.5 | Low | 64.7 | Low | 100 Ų | 100 | 65.7 Ų | 65.7 | 38% | 0.377 | 32% | 0.318 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -110.5 | -3.1 | -179.2 | -66 | -173.4 | -177.4 | -171.4 | 2.1 | 113.7 | A580 F581 D605 D606 E610 Q611 M612 | A580-R608 PolarHBondContact O-NH1 2.65Å; F581-R608 HydrophobicContact CD1-CB 4.34Å; F581-R608 HydrophobicContact CE1-CB 4.32Å; D605-R608 PolarHBondContact O-N 3.21Å; D605-R608 WeakPolarHBondContact OD2-CD 3.39Å; D605-R608 WeakPolarHBondContact OD2-CG 3.5Å; D605-R608 IonicContact OD2-NE 3.42Å; D606-R608 VanDerWaalsContact C-N 3.26Å; D606-R608 PolarHBondContact O-N 2.78Å; R608-E610 PolarHBondContact O-N 2.65Å; R608-Q611 CarbonylContact O-C 3.6Å; R608-Q611 WeakPolarHBondContact O-CB 3.34Å; R608-Q611 PolarHBondContact O-N 3.24Å; R608-Q611 VanDerWaalsContact O-N 3.11Å; R608-M612 WeakPolarHBondContact O-CG 3.49Å; R608-M612 PolarHBondContact O-N 3.36Å |
| 609 | L | 68.7 | Low | 64.2 | Low | 20 Ų | 20 | 64.4 Ų | 64.4 | 11% | 0.105 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -58 | -45.7 | -177.3 | -175.6 | 74.6 | 0 | 0 | 0 | 112.7 | D605 Q611 M612 I613 L627 I635 L637 | D605-L609 PolarHBondContact O-N 3.22Å; L609-Q611 VanDerWaalsContact C-N 3.3Å; L609-Q611 PolarHBondContact O-N 3.18Å; L609-M612 PolarHBondContact O-N 3.2Å; L609-I613 HydrophobicContact CD1-CD1 4.44Å; L609-I613 HydrophobicContact CD2-CD1 4.28Å; L609-I613 HydrophobicContact CG-CD1 3.87Å; L609-I613 WeakPolarHBondContact O-CG1 3.45Å; L609-I613 PolarHBondContact O-N 3.27Å; L609-L627 HydrophobicContact CD1-CD2 4.25Å; L609-L627 HydrophobicContact CD2-CD1 4.45Å; L609-L627 HydrophobicContact CD2-CD2 3.68Å; L609-L627 HydrophobicContact CG-CD2 4.26Å; L609-I635 HydrophobicContact CB-CD1 4.46Å; L609-I635 HydrophobicContact CD1-CB 4.01Å; L609-I635 HydrophobicContact CD1-CD1 3.92Å; L609-I635 HydrophobicContact CD1-CG2 3.51Å; L609-I635 HydrophobicContact CD2-CD1 3.46Å; L609-I635 VanDerWaalsContact CD2-CD1 3.46Å; L609-I635 HydrophobicContact CD2-CG1 4.31Å; L609-I635 HydrophobicContact CD2-CG2 4.06Å; L609-I635 HydrophobicContact CG-CD1 4.09Å; L609-I635 HydrophobicContact CG-CG2 4.35Å; L609-L637 HydrophobicContact CD1-CD1 3.81Å; L609-L637 HydrophobicContact CD1-CG 4.48Å |
| 610 | E | 68.4 | Low | 63.4 | Low | 161 Ų | 161 | 70 Ų | 70 | 75% | 0.752 | 34% | 0.339 | S | S | * | . | H | α-helix | trans | -62.9 | -37.3 | 177.4 | -71.5 | -173.5 | 168.4 | 0 | 0 | 112 | R608 S614 | R608-E610 PolarHBondContact O-N 2.65Å; E610-S614 VanDerWaalsContact O-CB 3.24Å; E610-S614 WeakPolarHBondContact O-CB 2.92Å; E610-S614 PolarHBondContact O-N 3.22Å |
| 611 | Q | 66.9 | Low | 63.1 | Low | 118 Ų | 118 | 68.7 Ų | 68.7 | 55% | 0.551 | 34% | 0.336 | S | S | * | . | H | α-helix | trans | -66.9 | -43.1 | 173.3 | -78.4 | -175.9 | -7.2 | 0 | 0 | 111.2 | F581 R608 L609 S614 Q615 | F581-Q611 HydrophobicContact CE1-CB 4.42Å; R608-Q611 CarbonylContact O-C 3.6Å; R608-Q611 WeakPolarHBondContact O-CB 3.34Å; R608-Q611 PolarHBondContact O-N 3.24Å; R608-Q611 VanDerWaalsContact O-N 3.11Å; L609-Q611 VanDerWaalsContact C-N 3.3Å; L609-Q611 PolarHBondContact O-N 3.18Å; Q611-S614 PolarHBondContact O-N 2.82Å; Q611-Q615 WeakPolarHBondContact O-CB 3.46Å; Q611-Q615 WeakPolarHBondContact O-CG 3.39Å; Q611-Q615 PolarHBondContact O-N 3.46Å |
| 612 | M | 67.9 | Low | 62.6 | Low | 1 Ų | 1 | 69.5 Ų | 69.5 | 1% | 0.005 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -61.2 | -50.3 | 176.9 | -73.9 | 178.2 | 65.6 | 0 | 0 | 111.2 | F576 F581 V583 V603 R608 L609 S614 Q615 I616 L637 | F576-M612 HydrophobicContact CE1-CE 4.16Å; F581-M612 HydrophobicContact CB-CE 4.27Å; F581-M612 HydrophobicContact CB-CG 4.34Å; F581-M612 HydrophobicContact CB-SD 4.01Å; F581-M612 HydrophobicContact CD1-CG 3.17Å; F581-M612 HydrophobicContact CD1-SD 3.66Å; F581-M612 HydrophobicContact CE1-CG 3.45Å; F581-M612 VanDerWaalsContact CE1-CG 3.45Å; F581-M612 HydrophobicContact CE1-SD 4.47Å; F581-M612 HydrophobicContact CG-CG 3.81Å; F581-M612 HydrophobicContact CG-SD 4.11Å; F581-M612 HydrophobicContact CZ-CG 4.27Å; V583-M612 HydrophobicContact CG2-CE 3.69Å; V603-M612 HydrophobicContact CB-CE 4.43Å; V603-M612 HydrophobicContact CG1-CE 3.97Å; V603-M612 HydrophobicContact CG1-SD 3.55Å; V603-M612 VanDerWaalsContact CG1-SD 3.55Å; V603-M612 HydrophobicContact CG2-CE 3.51Å; V603-M612 HydrophobicContact CG2-SD 4.15Å; R608-M612 WeakPolarHBondContact O-CG 3.49Å; R608-M612 PolarHBondContact O-N 3.36Å; L609-M612 PolarHBondContact O-N 3.2Å; M612-S614 VanDerWaalsContact C-N 3.31Å; M612-S614 PolarHBondContact O-N 3.27Å; M612-Q615 PolarHBondContact O-N 3.25Å; M612-Q615 VanDerWaalsContact O-N 3.1Å; M612-I616 HydrophobicContact CB-CD1 4.34Å; M612-I616 WeakPolarHBondContact O-CB 3.2Å; M612-I616 WeakPolarHBondContact O-CD1 3.41Å; M612-I616 WeakPolarHBondContact O-CG1 3.44Å; M612-I616 PolarHBondContact O-N 3.41Å; M612-L637 HydrophobicContact CB-CD1 4.42Å; M612-L637 HydrophobicContact CE-CD1 4.49Å |
| 613 | I | 70.2 | Confident | 62.7 | Low | 37 Ų | 37 | 69.4 Ų | 69.4 | 19% | 0.19 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -53.7 | -51.4 | 174.6 | -69.1 | 159.8 | 0 | 0 | 0 | 109.6 | L609 Q615 I616 D617 V625 L627 L637 | L609-I613 HydrophobicContact CD1-CD1 4.44Å; L609-I613 HydrophobicContact CD2-CD1 4.28Å; L609-I613 HydrophobicContact CG-CD1 3.87Å; L609-I613 WeakPolarHBondContact O-CG1 3.45Å; L609-I613 PolarHBondContact O-N 3.27Å; I613-Q615 VanDerWaalsContact C-N 3.25Å; I613-Q615 PolarHBondContact O-N 3.24Å; I613-I616 PolarHBondContact O-N 3.48Å; I613-D617 WeakPolarHBondContact O-CB 3.35Å; I613-D617 PolarHBondContact O-N 2.86Å; I613-V625 HydrophobicContact CB-CG1 4.5Å; I613-V625 HydrophobicContact CG1-CG1 4.22Å; I613-V625 HydrophobicContact CG2-CG1 4.03Å; I613-L627 HydrophobicContact CD1-CD1 3.43Å; I613-L627 VanDerWaalsContact CD1-CD1 3.43Å; I613-L627 HydrophobicContact CD1-CD2 4.1Å; I613-L627 HydrophobicContact CD1-CG 3.76Å; I613-L637 HydrophobicContact CG1-CD1 4.29Å; I613-L637 HydrophobicContact CG1-CD2 3.59Å; I613-L637 HydrophobicContact CG1-CG 4.27Å |
| 614 | S | 64.3 | Low | 62.9 | Low | 55 Ų | 55 | 74.3 Ų | 74.3 | 39% | 0.385 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -62.1 | -28.9 | -179.7 | -176.8 | 0 | 0 | 0 | 0 | 113.8 | E610 Q611 M612 K618 | E610-S614 VanDerWaalsContact O-CB 3.24Å; E610-S614 WeakPolarHBondContact O-CB 2.92Å; E610-S614 PolarHBondContact O-N 3.22Å; Q611-S614 PolarHBondContact O-N 2.82Å; M612-S614 VanDerWaalsContact C-N 3.31Å; M612-S614 PolarHBondContact O-N 3.27Å; S614-K618 WeakPolarHBondContact O-CD 3.4Å; S614-K618 WeakPolarHBondContact O-CE 3.49Å; S614-K618 WeakPolarHBondContact O-CG 3.09Å; S614-K618 PolarHBondContact OG-NZ 3.24Å |
| 615 | Q | 62 | Low | 63.1 | Low | 55 Ų | 55 | 72.3 Ų | 72.3 | 26% | 0.257 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -83.4 | -36.2 | 177.2 | -67 | -61.1 | -46.6 | 0 | 0 | 112.2 | Q611 M612 I613 K618 | Q611-Q615 WeakPolarHBondContact O-CB 3.46Å; Q611-Q615 WeakPolarHBondContact O-CG 3.39Å; Q611-Q615 PolarHBondContact O-N 3.46Å; M612-Q615 PolarHBondContact O-N 3.25Å; M612-Q615 VanDerWaalsContact O-N 3.1Å; I613-Q615 VanDerWaalsContact C-N 3.25Å; I613-Q615 PolarHBondContact O-N 3.24Å; Q615-K618 PolarHBondContact O-N 3.35Å |
| 616 | I | 64 | Low | 63.3 | Low | 4 Ų | 4 | 74.5 Ų | 74.5 | 2% | 0.021 | 36% | 0.364 | C | S | . | . | H | α-helix | trans | -71.5 | -41.7 | 179.1 | -66.4 | 162.6 | 0 | 0 | 0 | 110.7 | F576 L601 M612 I613 K618 L619 V622 V625 L637 V639 | F576-I616 HydrophobicContact CE1-CD1 4.08Å; F576-I616 HydrophobicContact CE1-CG1 4.05Å; F576-I616 HydrophobicContact CZ-CD1 3.74Å; F576-I616 HydrophobicContact CZ-CG1 3.6Å; L601-I616 HydrophobicContact CD1-CD1 3.3Å; L601-I616 HydrophobicContact CD1-CG1 4.34Å; M612-I616 HydrophobicContact CB-CD1 4.34Å; M612-I616 WeakPolarHBondContact O-CB 3.2Å; M612-I616 WeakPolarHBondContact O-CD1 3.41Å; M612-I616 WeakPolarHBondContact O-CG1 3.44Å; M612-I616 PolarHBondContact O-N 3.41Å; I613-I616 PolarHBondContact O-N 3.48Å; I616-K618 PolarHBondContact O-N 3.04Å; I616-K618 VanDerWaalsContact O-N 3.07Å; I616-L619 WeakPolarHBondContact O-CB 3.41Å; I616-L619 PolarHBondContact O-N 2.95Å; I616-V622 HydrophobicContact CG2-CG1 4.18Å; I616-V622 HydrophobicContact CG2-CG2 4.14Å; I616-V622 WeakPolarHBondContact O-CB 3.48Å; I616-V625 HydrophobicContact CB-CG2 4.21Å; I616-V625 HydrophobicContact CG2-CG2 3.64Å; I616-L637 HydrophobicContact CD1-CD1 4.13Å; I616-L637 HydrophobicContact CD1-CD2 4.19Å; I616-V639 HydrophobicContact CG2-CB 4.27Å; I616-V639 HydrophobicContact CG2-CG1 3.65Å; I616-V639 HydrophobicContact CG2-CG2 3.58Å |
| 617 | D | 61.7 | Low | 63.6 | Low | 97 Ų | 97 | 73.7 Ų | 73.7 | 52% | 0.519 | 36% | 0.359 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -67 | -7.8 | 179.2 | -151.3 | 49.4 | 0 | 0 | 0 | 112.5 | I613 V625 | I613-D617 WeakPolarHBondContact O-CB 3.35Å; I613-D617 PolarHBondContact O-N 2.86Å; D617-V625 HydrophobicContact CB-CG2 3.96Å; D617-V625 WeakPolarHBondContact OD1-CG2 3.2Å |
| 618 | K | 55.5 | Low | 63.6 | Low | 131 Ų | 131 | 67.1 Ų | 67.1 | 57% | 0.57 | 33% | 0.332 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -95 | -7.3 | 174.3 | -70.7 | 169.9 | -171.1 | 162.4 | 0 | 114 | S614 Q615 I616 | S614-K618 WeakPolarHBondContact O-CD 3.4Å; S614-K618 WeakPolarHBondContact O-CE 3.49Å; S614-K618 WeakPolarHBondContact O-CG 3.09Å; S614-K618 PolarHBondContact OG-NZ 3.24Å; Q615-K618 PolarHBondContact O-N 3.35Å; I616-K618 PolarHBondContact O-N 3.04Å; I616-K618 VanDerWaalsContact O-N 3.07Å |
| 619 | L | 54.3 | Low | 63.2 | Low | 30 Ų | 30 | 67.1 Ų | 67.1 | 16% | 0.157 | 35% | 0.353 | C | S | . | . | S | Bend | trans | -78.2 | 129.3 | 179.7 | -61 | 176.7 | 0 | 0 | 0 | 108.9 | L575 I616 D621 V622 | L575-L619 HydrophobicContact CD1-CD2 3.64Å; L575-L619 HydrophobicContact CD2-CD2 4.32Å; I616-L619 WeakPolarHBondContact O-CB 3.41Å; I616-L619 PolarHBondContact O-N 2.95Å; L619-D621 PolarHBondContact O-N 2.92Å; L619-V622 HydrophobicContact CB-CB 4.22Å; L619-V622 HydrophobicContact CB-CG2 3.66Å; L619-V622 HydrophobicContact CD1-CG2 4.17Å; L619-V622 HydrophobicContact CG-CG2 4.45Å; L619-V622 WeakPolarHBondContact O-CB 3.4Å; L619-V622 PolarHBondContact O-N 2.94Å |
| 620 | E | 46 | Very low | 62.3 | Low | 121 Ų | 121 | 73.3 Ų | 73.3 | 57% | 0.565 | 38% | 0.381 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.9 | -33.7 | -176.4 | -77 | -175.4 | 158.7 | 0 | 0 | 113 | V622 T769 | E620-V622 PolarHBondContact O-N 3.19Å; E620-T769 WeakPolarHBondContact OE1-CB 3.46Å; E620-T769 WeakPolarHBondContact OE1-CG2 3.45Å; E620-T769 PolarHBondContact OE1-OG1 3.33Å |
| 621 | D | 56.7 | Low | 61.2 | Low | 33 Ų | 33 | 68.8 Ų | 68.8 | 18% | 0.176 | 38% | 0.378 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -76 | -10.7 | 179.3 | -53.5 | -46.5 | 0 | 0 | 0 | 112.5 | L619 V641 S642 | L619-D621 PolarHBondContact O-N 2.92Å; D621-V641 HydrophobicContact CB-CG1 3.61Å; D621-V641 CarbonylContact O-C 3.45Å; D621-V641 WeakPolarHBondContact O-CA 3.31Å; D621-V641 WeakPolarHBondContact O-CG1 3.14Å; D621-S642 PolarHBondContact O-N 2.97Å; D621-S642 PolarHBondContact O-OG 2.89Å |
| 622 | V | 54.9 | Low | 60 | Low | 19 Ų | 19 | 71.5 Ų | 71.5 | 12% | 0.115 | 40% | 0.396 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.8 | 107.6 | -176.1 | 176.2 | 0 | 0 | 0 | 0 | 111.4 | I616 L619 E620 V625 V639 K640 V641 | I616-V622 HydrophobicContact CG2-CG1 4.18Å; I616-V622 HydrophobicContact CG2-CG2 4.14Å; I616-V622 WeakPolarHBondContact O-CB 3.48Å; L619-V622 HydrophobicContact CB-CB 4.22Å; L619-V622 HydrophobicContact CB-CG2 3.66Å; L619-V622 HydrophobicContact CD1-CG2 4.17Å; L619-V622 HydrophobicContact CG-CG2 4.45Å; L619-V622 WeakPolarHBondContact O-CB 3.4Å; L619-V622 PolarHBondContact O-N 2.94Å; E620-V622 PolarHBondContact O-N 3.19Å; V622-V625 HydrophobicContact CG1-CG2 3.7Å; V622-V639 HydrophobicContact CB-CG1 3.96Å; V622-V639 HydrophobicContact CG1-CG1 3.45Å; V622-V639 VanDerWaalsContact CG1-CG1 3.45Å; V622-V639 HydrophobicContact CG2-CG1 3.3Å; V622-K640 CarbonylContact C-O 3.58Å; V622-K640 WeakPolarHBondContact CA-O 3.42Å; V622-V641 HydrophobicContact CG2-CG1 4.35Å |
| 623 | V | 63.6 | Low | 59.1 | Low | 69 Ų | 69 | 77.6 Ų | 77.6 | 42% | 0.418 | 43% | 0.428 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.5 | -35.8 | 177.3 | -178.4 | 0 | 0 | 0 | 0 | 112.8 | K596 K640 | K596-V623 HydrophobicContact CD-CG2 4.16Å; K596-V623 HydrophobicContact CG-CG2 4.48Å; V623-K640 WeakPolarHBondContact CA-O 3.32Å; V623-K640 HydrophobicContact CB-CB 4.01Å; V623-K640 HydrophobicContact CB-CD 4.17Å; V623-K640 HydrophobicContact CB-CG 4.01Å; V623-K640 WeakPolarHBondContact CB-O 3.06Å; V623-K640 HydrophobicContact CG1-CD 3.99Å; V623-K640 HydrophobicContact CG1-CG 4.39Å; V623-K640 HydrophobicContact CG2-CG 4.47Å; V623-K640 PolarHBondContact N-O 2.88Å |
| 624 | K | 70.9 | Confident | 58.1 | Low | 104 Ų | 104 | 78.3 Ų | 78.3 | 45% | 0.452 | 43% | 0.432 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -162.5 | 136.6 | -177.2 | -166.1 | -179.6 | -170.5 | -177.4 | 0 | 111.2 | Q626 V639 K640 | K624-Q626 HydrophobicContact CD-CG 3.79Å; K624-Q626 HydrophobicContact CG-CG 4.07Å; K624-V639 CarbonylContact O-C 3.58Å; K624-V639 WeakPolarHBondContact O-CA 3.33Å; K624-K640 HydrophobicContact CB-CB 4.15Å; K624-K640 PolarHBondContact O-N 3.21Å |
| 625 | V | 69 | Low | 57.6 | Low | 24 Ų | 24 | 76.8 Ų | 76.8 | 15% | 0.145 | 42% | 0.42 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.7 | 126.3 | 165.9 | -175.6 | 0 | 0 | 0 | 0 | 109.9 | I613 I616 D617 V622 L637 I638 | I613-V625 HydrophobicContact CB-CG1 4.5Å; I613-V625 HydrophobicContact CG1-CG1 4.22Å; I613-V625 HydrophobicContact CG2-CG1 4.03Å; I616-V625 HydrophobicContact CB-CG2 4.21Å; I616-V625 HydrophobicContact CG2-CG2 3.64Å; D617-V625 HydrophobicContact CB-CG2 3.96Å; D617-V625 WeakPolarHBondContact OD1-CG2 3.2Å; V622-V625 HydrophobicContact CG1-CG2 3.7Å; V625-L637 HydrophobicContact CG1-CD2 3.07Å; V625-I638 CarbonylContact C-O 3.59Å; V625-I638 VanDerWaalsContact CA-O 3.31Å; V625-I638 WeakPolarHBondContact CA-O 3.34Å |
| 626 | Q | 69.6 | Low | 57.1 | Low | 86 Ų | 86 | 74.7 Ų | 74.7 | 40% | 0.402 | 41% | 0.411 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.4 | 135.1 | 172.4 | -70 | -174.4 | -61.4 | 0 | 0 | 111.3 | K624 I638 | K624-Q626 HydrophobicContact CD-CG 3.79Å; K624-Q626 HydrophobicContact CG-CG 4.07Å; Q626-I638 HydrophobicContact CB-CB 4.27Å; Q626-I638 PolarHBondContact N-O 3.36Å; Q626-I638 PolarHBondContact O-N 3.48Å |
| 627 | L | 71.2 | Confident | 56.9 | Low | 99 Ų | 99 | 74.5 Ų | 74.5 | 52% | 0.518 | 41% | 0.41 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.7 | 127.7 | 169.9 | -88.7 | 159.8 | 0 | 0 | 0 | 110.2 | L609 I613 I635 | L609-L627 HydrophobicContact CD1-CD2 4.25Å; L609-L627 HydrophobicContact CD2-CD1 4.45Å; L609-L627 HydrophobicContact CD2-CD2 3.68Å; L609-L627 HydrophobicContact CG-CD2 4.26Å; I613-L627 HydrophobicContact CD1-CD1 3.43Å; I613-L627 VanDerWaalsContact CD1-CD1 3.43Å; I613-L627 HydrophobicContact CD1-CD2 4.1Å; I613-L627 HydrophobicContact CD1-CG 3.76Å; L627-I635 HydrophobicContact CD2-CG2 3.19Å |
| 628 | T | 63.3 | Low | 56.6 | Low | 46 Ų | 46 | 70.6 Ų | 70.6 | 28% | 0.282 | 39% | 0.39 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.2 | 123.7 | 167.7 | 47.9 | 0 | 0 | 0 | 0 | 109.4 | A636 I638 | T628-A636 PolarHBondContact N-O 3.49Å; T628-A636 WeakPolarHBondContact O-CB 3.47Å; T628-A636 PolarHBondContact O-N 2.85Å; T628-A636 VanDerWaalsContact O-N 3.11Å; T628-A636 VanDerWaalsContact OG1-CB 3.28Å; T628-A636 WeakPolarHBondContact OG1-CB 3.22Å; T628-A636 PolarHBondContact OG1-O 3.43Å; T628-I638 HydrophobicContact CG2-CD1 3.86Å |
| 629 | A | 57 | Low | 56.8 | Low | 100 Ų | 100 | 64.6 Ų | 64.6 | 83% | 0.826 | 36% | 0.364 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -85.2 | 121.7 | 174.4 | 0 | 0 | 0 | 0 | 0 | 109.5 | ||
| 630 | Q | 50.5 | Low | 57 | Low | 149 Ų | 149 | 66 Ų | 66 | 70% | 0.696 | 37% | 0.368 | S | S | * | . | trans | -129.2 | 102.7 | 168.7 | -89.3 | -167.4 | -11.9 | 0 | 0 | 109.6 | ||||
| 631 | G | 46.1 | Very low | 57.4 | Low | 67 Ų | 67 | 60.6 Ų | 60.6 | 69% | 0.691 | 34% | 0.344 | S | S | * | . | S | Bend | trans | 73.8 | 166 | 166.6 | 0 | 0 | 0 | 0 | 0 | 115.5 | N633 | G631-N633 VanDerWaalsContact C-N 3.28Å; G631-N633 PolarHBondContact O-N 3.29Å |
| 632 | L | 40.8 | Very low | 56.9 | Low | 175 Ų | 175 | 60.3 Ų | 60.3 | 92% | 0.916 | 35% | 0.345 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60 | -2.4 | -150.6 | -92.9 | 150.6 | 0 | 0 | 0 | 119.6 | ||
| 633 | N | 49 | Very low | 56.3 | Low | 128 Ų | 128 | 61.6 Ų | 61.6 | 68% | 0.684 | 36% | 0.357 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -156 | 5 | 179.6 | -79.1 | -39.7 | 0 | 0 | 0 | 116 | N604 G631 | N604-N633 PolarHBondContact OD1-O 3.09Å; G631-N633 VanDerWaalsContact C-N 3.28Å; G631-N633 PolarHBondContact O-N 3.29Å |
| 634 | N | 49 | Very low | 54.9 | Low | 53 Ų | 53 | 64.6 Ų | 64.6 | 28% | 0.283 | 37% | 0.365 | S | S | . | . | trans | -125.9 | 134.9 | -170.7 | -65.3 | 36.1 | 0 | 0 | 0 | 111.7 | L602 N604 | L602-N634 HydrophobicContact CD2-CB 4.19Å; N604-N634 PolarHBondContact OD1-ND2 3.04Å; N604-N634 PolarHBondContact OD1-OD1 3.44Å; N604-N634 VanDerWaalsContact OD1-OD1 3.09Å | ||
| 635 | I | 54.7 | Low | 52.9 | Low | 23 Ų | 23 | 66.4 Ų | 66.4 | 12% | 0.118 | 37% | 0.373 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.6 | 127.1 | 175.6 | -66.2 | 150.1 | 0 | 0 | 0 | 109.8 | V603 D606 L609 L627 | V603-I635 PolarHBondContact N-O 3.14Å; V603-I635 PolarHBondContact O-N 3.48Å; D606-I635 WeakPolarHBondContact OD1-CD1 3.34Å; L609-I635 HydrophobicContact CB-CD1 4.46Å; L609-I635 HydrophobicContact CD1-CB 4.01Å; L609-I635 HydrophobicContact CD1-CD1 3.92Å; L609-I635 HydrophobicContact CD1-CG2 3.51Å; L609-I635 HydrophobicContact CD2-CD1 3.46Å; L609-I635 VanDerWaalsContact CD2-CD1 3.46Å; L609-I635 HydrophobicContact CD2-CG1 4.31Å; L609-I635 HydrophobicContact CD2-CG2 4.06Å; L609-I635 HydrophobicContact CG-CD1 4.09Å; L609-I635 HydrophobicContact CG-CG2 4.35Å; L627-I635 HydrophobicContact CD2-CG2 3.19Å |
| 636 | A | 51.6 | Low | 50.9 | Low | 10 Ų | 10 | 74.1 Ų | 74.1 | 8% | 0.083 | 41% | 0.405 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95 | 121.3 | 172.1 | 0 | 0 | 0 | 0 | 0 | 110.5 | W600 L601 T628 | W600-A636 HydrophobicContact CE3-CB 3.55Å; W600-A636 HydrophobicContact CZ3-CB 3.65Å; L601-A636 WeakPolarHBondContact O-CA 3.01Å; T628-A636 PolarHBondContact N-O 3.49Å; T628-A636 WeakPolarHBondContact O-CB 3.47Å; T628-A636 PolarHBondContact O-N 2.85Å; T628-A636 VanDerWaalsContact O-N 3.11Å; T628-A636 VanDerWaalsContact OG1-CB 3.28Å; T628-A636 WeakPolarHBondContact OG1-CB 3.22Å; T628-A636 PolarHBondContact OG1-O 3.43Å |
| 637 | L | 58.8 | Low | 49 | Very low | 0 Ų | 0 | 75.3 Ų | 75.3 | 0% | 0 | 42% | 0.418 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.5 | 105.1 | 175.4 | -106.8 | 154.4 | 0 | 0 | 0 | 108.4 | W600 L601 V603 L609 M612 I613 I616 V625 | W600-L637 VanDerWaalsContact CA-O 3.29Å; W600-L637 WeakPolarHBondContact CA-O 3.42Å; L601-L637 HydrophobicContact CB-CB 3.9Å; L601-L637 HydrophobicContact CD1-CB 4.32Å; L601-L637 HydrophobicContact CD1-CD1 4.46Å; L601-L637 HydrophobicContact CG-CB 4.35Å; L601-L637 PolarHBondContact N-O 3.48Å; L601-L637 VanDerWaalsContact N-O 3.08Å; L601-L637 PolarHBondContact O-N 3.48Å; L601-L637 VanDerWaalsContact O-N 3.12Å; V603-L637 HydrophobicContact CG2-CD1 4.14Å; L609-L637 HydrophobicContact CD1-CD1 3.81Å; L609-L637 HydrophobicContact CD1-CG 4.48Å; M612-L637 HydrophobicContact CB-CD1 4.42Å; M612-L637 HydrophobicContact CE-CD1 4.49Å; I613-L637 HydrophobicContact CG1-CD1 4.29Å; I613-L637 HydrophobicContact CG1-CD2 3.59Å; I613-L637 HydrophobicContact CG1-CG 4.27Å; I616-L637 HydrophobicContact CD1-CD1 4.13Å; I616-L637 HydrophobicContact CD1-CD2 4.19Å; V625-L637 HydrophobicContact CG1-CD2 3.07Å |
| 638 | I | 56.5 | Low | 47 | Very low | 16 Ų | 16 | 82.3 Ų | 82.3 | 8% | 0.082 | 44% | 0.438 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85 | 113.4 | 173.9 | -56.5 | 174.3 | 0 | 0 | 0 | 108.1 | H598 I599 W600 V625 Q626 T628 | H598-I638 HydrophobicContact CB-CG2 4.18Å; I599-I638 CarbonylContact O-C 3.51Å; I599-I638 WeakPolarHBondContact O-CA 3.2Å; W600-I638 HydrophobicContact CD2-CG1 4.08Å; W600-I638 HydrophobicContact CE3-CG1 3.99Å; W600-I638 HydrophobicContact CH2-CD1 3.47Å; W600-I638 VanDerWaalsContact CH2-CD1 3.47Å; W600-I638 HydrophobicContact CH2-CG1 3.7Å; W600-I638 HydrophobicContact CZ2-CD1 3.69Å; W600-I638 HydrophobicContact CZ2-CG1 3.81Å; W600-I638 HydrophobicContact CZ3-CD1 3.99Å; W600-I638 HydrophobicContact CZ3-CG1 3.79Å; V625-I638 CarbonylContact C-O 3.59Å; V625-I638 VanDerWaalsContact CA-O 3.31Å; V625-I638 WeakPolarHBondContact CA-O 3.34Å; Q626-I638 HydrophobicContact CB-CB 4.27Å; Q626-I638 PolarHBondContact N-O 3.36Å; Q626-I638 PolarHBondContact O-N 3.48Å; T628-I638 HydrophobicContact CG2-CD1 3.86Å |
| 639 | V | 59 | Low | 45.4 | Very low | 5 Ų | 5 | 88.9 Ų | 88.9 | 3% | 0.03 | 47% | 0.465 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.7 | 107.7 | 178.7 | -174.5 | 0 | 0 | 0 | 0 | 107.2 | H598 I599 L601 I616 V622 K624 V641 | H598-V639 WeakPolarHBondContact CA-O 3.38Å; I599-V639 HydrophobicContact CB-CB 4.11Å; I599-V639 PolarHBondContact N-O 2.86Å; I599-V639 PolarHBondContact O-N 3.33Å; L601-V639 HydrophobicContact CD1-CG2 4.33Å; I616-V639 HydrophobicContact CG2-CB 4.27Å; I616-V639 HydrophobicContact CG2-CG1 3.65Å; I616-V639 HydrophobicContact CG2-CG2 3.58Å; V622-V639 HydrophobicContact CB-CG1 3.96Å; V622-V639 HydrophobicContact CG1-CG1 3.45Å; V622-V639 VanDerWaalsContact CG1-CG1 3.45Å; V622-V639 HydrophobicContact CG2-CG1 3.3Å; K624-V639 CarbonylContact O-C 3.58Å; K624-V639 WeakPolarHBondContact O-CA 3.33Å; V639-V641 HydrophobicContact CG1-CG2 4.5Å; V639-V641 WeakPolarHBondContact O-CG2 3.32Å; V639-V641 PolarHBondContact O-N 3.37Å |
| 640 | K | 58.2 | Low | 44.4 | Very low | 58 Ų | 58 | 92.1 Ų | 92.1 | 25% | 0.252 | 47% | 0.469 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.7 | 115 | 175.2 | -169.7 | 176.6 | -156.1 | -169.5 | 0 | 107.8 | I591 K596 S597 V622 V623 K624 | I591-K640 HydrophobicContact CD1-CD 4.45Å; I591-K640 VanDerWaalsContact CD1-CE 3.46Å; I591-K640 HydrophobicContact CD1-CG 4.33Å; K596-K640 HydrophobicContact CB-CD 4.46Å; K596-K640 HydrophobicContact CB-CG 3.95Å; K596-K640 HydrophobicContact CD-CD 3.78Å; K596-K640 HydrophobicContact CD-CG 4.01Å; K596-K640 HydrophobicContact CG-CG 4.32Å; S597-K640 CarbonylContact O-C 3.59Å; S597-K640 VanDerWaalsContact O-CA 3.28Å; S597-K640 WeakPolarHBondContact O-CA 3.4Å; V622-K640 CarbonylContact C-O 3.58Å; V622-K640 WeakPolarHBondContact CA-O 3.42Å; V623-K640 WeakPolarHBondContact CA-O 3.32Å; V623-K640 HydrophobicContact CB-CB 4.01Å; V623-K640 HydrophobicContact CB-CD 4.17Å; V623-K640 HydrophobicContact CB-CG 4.01Å; V623-K640 WeakPolarHBondContact CB-O 3.06Å; V623-K640 HydrophobicContact CG1-CD 3.99Å; V623-K640 HydrophobicContact CG1-CG 4.39Å; V623-K640 HydrophobicContact CG2-CG 4.47Å; V623-K640 PolarHBondContact N-O 2.88Å; K624-K640 HydrophobicContact CB-CB 4.15Å; K624-K640 PolarHBondContact O-N 3.21Å |
| 641 | V | 54.4 | Low | 44.4 | Very low | 9 Ų | 9 | 90.6 Ų | 90.6 | 6% | 0.055 | 46% | 0.459 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.6 | 130.2 | -175.3 | -130.6 | 0 | 0 | 0 | 0 | 110.6 | K596 S597 I599 D621 V622 V639 | K596-V641 CarbonylContact C-O 3.5Å; K596-V641 WeakPolarHBondContact CA-O 3.49Å; S597-V641 PolarHBondContact N-O 2.86Å; S597-V641 PolarHBondContact O-N 3.08Å; I599-V641 HydrophobicContact CB-CG2 4.37Å; I599-V641 HydrophobicContact CD1-CG2 3.41Å; I599-V641 VanDerWaalsContact CD1-CG2 3.41Å; I599-V641 HydrophobicContact CG1-CG2 3.55Å; D621-V641 HydrophobicContact CB-CG1 3.61Å; D621-V641 CarbonylContact O-C 3.45Å; D621-V641 WeakPolarHBondContact O-CA 3.31Å; D621-V641 WeakPolarHBondContact O-CG1 3.14Å; V622-V641 HydrophobicContact CG2-CG1 4.35Å; V639-V641 HydrophobicContact CG1-CG2 4.5Å; V639-V641 WeakPolarHBondContact O-CG2 3.32Å; V639-V641 PolarHBondContact O-N 3.37Å |
| 642 | S | 46.4 | Very low | 45.4 | Very low | 27 Ų | 27 | 93.8 Ų | 93.8 | 19% | 0.189 | 47% | 0.466 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.9 | 127.2 | 171.6 | 46.5 | 0 | 0 | 0 | 0 | 110.8 | D621 | D621-S642 PolarHBondContact O-N 2.97Å; D621-S642 PolarHBondContact O-OG 2.89Å |
| 643 | A | 42.8 | Very low | 47.6 | Very low | 45 Ų | 45 | 90 Ų | 90 | 37% | 0.372 | 45% | 0.445 | S | S | . | . | trans | -76.9 | 120.2 | 165.2 | 0 | 0 | 0 | 0 | 0 | 108.1 | D595 F645 | D595-A643 PolarHBondContact O-N 3.38Å; A643-F645 HydrophobicContact CB-CD2 4.35Å; A643-F645 PolarHBondContact O-N 3.35Å | ||
| 644 | F | 34.6 | Very low | 49.6 | Very low | 132 Ų | 132 | 84.9 Ų | 84.9 | 58% | 0.579 | 42% | 0.417 | S | S | * | . | trans | -67.8 | 86.3 | 168 | -102.4 | -86.5 | 0 | 0 | 0 | 109.2 | ||||
| 645 | F | 28.6 | Very low | 51.8 | Low | 143 Ų | 143 | 83.4 Ų | 83.4 | 63% | 0.627 | 41% | 0.41 | S | S | * | . | trans | -74.1 | 125.7 | 146.1 | -81.5 | -87.7 | 0 | 0 | 0 | 106.4 | A643 T647 | A643-F645 HydrophobicContact CB-CD2 4.35Å; A643-F645 PolarHBondContact O-N 3.35Å; F645-T647 HydrophobicContact CB-CG2 4.08Å; F645-T647 PolarHBondContact O-N 3.03Å; F645-T647 PolarHBondContact O-OG1 3.45Å | ||
| 646 | F | 26.7 | Very low | 53.8 | Low | 186 Ų | 186 | 82.3 Ų | 82.3 | 82% | 0.816 | 40% | 0.404 | S | S | * | . | trans | -64.7 | 77.7 | 161.5 | -96.4 | -90.4 | 0 | 0 | 0 | 108 | ||||
| 647 | T | 30.1 | Very low | 55.9 | Low | 111 Ų | 111 | 81.8 Ų | 81.8 | 68% | 0.681 | 40% | 0.4 | S | S | * | . | trans | -115.5 | 105.3 | 169.5 | 43.9 | 0 | 0 | 0 | 0 | 107.3 | F645 Q649 | F645-T647 HydrophobicContact CB-CG2 4.08Å; F645-T647 PolarHBondContact O-N 3.03Å; F645-T647 PolarHBondContact O-OG1 3.45Å; T647-Q649 PolarHBondContact O-N 3.35Å | ||
| 648 | R | 27.9 | Very low | 57.6 | Low | 246 Ų | 246 | 82 Ų | 82 | 93% | 0.928 | 40% | 0.401 | S | S | * | . | trans | -40.4 | 109.7 | 174.5 | -68.9 | 172.6 | 167.9 | 176 | -4 | 112.2 | ||||
| 649 | Q | 31 | Very low | 59.5 | Low | 184 Ų | 184 | 81.3 Ų | 81.3 | 86% | 0.86 | 40% | 0.398 | S | S | * | . | trans | -169 | 122.4 | 155.4 | -107.8 | 161.6 | 18.6 | 0 | 0 | 112.9 | T647 | T647-Q649 PolarHBondContact O-N 3.35Š| ||
| 650 | D | 35.4 | Very low | 61.1 | Low | 168 Ų | 168 | 81.2 Ų | 81.2 | 90% | 0.898 | 40% | 0.397 | S | S | * | . | trans | 40.7 | 75.6 | 164.7 | -68.6 | -11.3 | 0 | 0 | 0 | 119.8 | ||||
| 651 | K | 50.6 | Low | 62.8 | Low | 116 Ų | 116 | 81.2 Ų | 81.2 | 50% | 0.504 | 40% | 0.4 | S | S | . | . | P | Polyproline II helix | trans | -98.3 | 135.6 | 159.7 | -74.1 | -174.5 | 175.8 | 179.1 | 0 | 110.9 | M653 D678 | K651-M653 PolarHBondContact O-N 3.48Å; K651-D678 HydrophobicContact CB-CB 3.73Å; K651-D678 HydrophobicContact CD-CB 3.88Å; K651-D678 WeakPolarHBondContact CD-OD2 3.2Å; K651-D678 IonicContact NZ-OD2 3.79Å; K651-D678 PolarHBondContact NZ-OD2 3.48Å |
| 652 | T | 67.3 | Low | 64.5 | Low | 134 Ų | 134 | 85.4 Ų | 85.4 | 82% | 0.822 | 42% | 0.419 | S | S | * | . | P | Polyproline II helix | trans | -59.8 | 126.1 | 167.8 | 19.1 | 0 | 0 | 0 | 0 | 110 | I654 | T652-I654 PolarHBondContact O-N 3.06Š|
| 653 | M | 86.6 | Confident | 66.5 | Low | 97 Ų | 97 | 89.7 Ų | 89.7 | 48% | 0.478 | 44% | 0.439 | S | S | . | . | P | Polyproline II helix | trans | -60.9 | 128.5 | -179.3 | -172.8 | -138.2 | -69.4 | 0 | 0 | 111.6 | K651 T655 D678 Q680 Q701 | K651-M653 PolarHBondContact O-N 3.48Å; M653-T655 HydrophobicContact SD-CG2 4.15Å; M653-D678 CarbonylContact C-O 3.53Å; M653-D678 WeakPolarHBondContact CA-O 3.33Å; M653-Q680 HydrophobicContact CG-CB 3.81Å; M653-Q680 HydrophobicContact SD-CB 3.41Å; M653-Q680 WeakPolarHBondContact SD-CB 3.34Å; M653-Q680 HydrophobicContact SD-CG 4.09Å; M653-Q680 PolarHBondContact SD-OE1 2.98Å; M653-Q701 PolarHBondContact O-OE1 3.43Å |
| 654 | I | 92.2 | Very high | 68.7 | Low | 20 Ų | 20 | 94 Ų | 94 | 10% | 0.103 | 45% | 0.454 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.7 | 121.8 | 174.8 | -61.6 | 163.7 | 0 | 0 | 0 | 108.8 | T652 V656 D678 L679 Q680 Q701 V702 V764 A768 | T652-I654 PolarHBondContact O-N 3.06Å; I654-V656 HydrophobicContact CG2-CG2 4.22Å; I654-D678 PolarHBondContact N-O 3.39Å; I654-L679 HydrophobicContact CB-CD2 3.72Å; I654-L679 HydrophobicContact CD1-CD2 3.82Å; I654-L679 HydrophobicContact CG1-CD2 4.3Å; I654-L679 HydrophobicContact CG2-CD2 4.19Å; I654-Q680 PolarHBondContact O-N 3.31Å; I654-Q701 HydrophobicContact CG2-CB 4.49Å; I654-V702 HydrophobicContact CG2-CG2 3.96Å; I654-V764 HydrophobicContact CG2-CG1 4.28Å; I654-A768 HydrophobicContact CD1-CB 3.74Å; I654-A768 HydrophobicContact CG1-CB 4.12Å; I654-A768 HydrophobicContact CG2-CB 3.87Å |
| 655 | T | 94.7 | Very high | 71.3 | Confident | 21 Ų | 21 | 89 Ų | 89 | 13% | 0.129 | 43% | 0.434 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.9 | 124.1 | 178 | 57.7 | 0 | 0 | 0 | 0 | 111.6 | M653 Q680 V682 G699 V700 Q701 V702 | M653-T655 HydrophobicContact SD-CG2 4.15Å; T655-Q680 CarbonylContact C-O 3.5Å; T655-Q680 WeakPolarHBondContact CA-O 3.37Å; T655-V682 HydrophobicContact CG2-CG1 3.85Å; T655-G699 PolarHBondContact OG1-O 3.38Å; T655-V700 WeakPolarHBondContact OG1-CA 3.12Å; T655-Q701 PolarHBondContact O-N 3.01Å; T655-Q701 PolarHBondContact OG1-N 2.86Å; T655-Q701 VanDerWaalsContact OG1-N 3.14Å; T655-Q701 PolarHBondContact OG1-OE1 3.09Å; T655-V702 PolarHBondContact O-N 2.86Å |
| 656 | V | 96 | Very high | 74.4 | Confident | 0 Ų | 0 | 83.9 Ų | 83.9 | 0% | 0 | 41% | 0.411 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.5 | 140 | -174.1 | -172.2 | 0 | 0 | 0 | 0 | 110.8 | I654 L658 L673 Q680 V681 V682 V702 I704 V764 | I654-V656 HydrophobicContact CG2-CG2 4.22Å; V656-L658 HydrophobicContact CG1-CD2 4.31Å; V656-L673 HydrophobicContact CG1-CD1 4.06Å; V656-Q680 PolarHBondContact N-O 3.36Å; V656-V681 CarbonylContact O-C 3.51Å; V656-V681 WeakPolarHBondContact O-CA 3.28Å; V656-V682 PolarHBondContact O-N 3.46Å; V656-V702 CarbonylContact C-O 3.54Å; V656-V702 VanDerWaalsContact CA-O 3.28Å; V656-V702 WeakPolarHBondContact CA-O 3.26Å; V656-V702 HydrophobicContact CG2-CB 4.41Å; V656-I704 HydrophobicContact CG1-CD1 4.03Å; V656-I704 HydrophobicContact CG1-CG1 3.97Å; V656-V764 HydrophobicContact CG2-CG1 3.87Å |
| 657 | A | 95.7 | Very high | 77.3 | Confident | 0 Ų | 0 | 77.2 Ų | 77.2 | 0% | 0 | 39% | 0.387 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.4 | 138.4 | 165.9 | 0 | 0 | 0 | 0 | 0 | 111 | A683 L695 V700 V702 I704 | A657-A683 VanDerWaalsContact CA-O 3.29Å; A657-A683 WeakPolarHBondContact CA-O 3.38Å; A657-A683 HydrophobicContact CB-CB 4.1Å; A657-L695 HydrophobicContact CB-CD2 3.71Å; A657-V700 HydrophobicContact CB-CB 4.49Å; A657-V700 HydrophobicContact CB-CG1 3.67Å; A657-V700 HydrophobicContact CB-CG2 3.97Å; A657-V702 PolarHBondContact N-O 3.12Å; A657-I704 PolarHBondContact O-N 2.92Å |
| 658 | L | 95.9 | Very high | 80.1 | Confident | 4 Ų | 4 | 73.2 Ų | 73.2 | 2% | 0.021 | 37% | 0.368 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.9 | 128.2 | 176.8 | -59.2 | 176.8 | 0 | 0 | 0 | 110.4 | V656 R666 F669 A670 L673 V681 A683 E684 F685 I704 | V656-L658 HydrophobicContact CG1-CD2 4.31Å; L658-R666 WeakPolarHBondContact CD1-O 3.44Å; L658-F669 HydrophobicContact CD1-CB 3.94Å; L658-F669 HydrophobicContact CD2-CB 4.22Å; L658-A670 HydrophobicContact CD1-CB 3.84Å; L658-L673 HydrophobicContact CD2-CD1 3.93Å; L658-V681 HydrophobicContact CD1-CG1 4.09Å; L658-V681 HydrophobicContact CD1-CG2 4.33Å; L658-V681 HydrophobicContact CG-CG1 4.16Å; L658-A683 PolarHBondContact N-O 2.82Å; L658-E684 HydrophobicContact CB-CG 4.32Å; L658-E684 HydrophobicContact CD1-CG 4.5Å; L658-E684 CarbonylContact O-C 3.54Å; L658-E684 VanDerWaalsContact O-CA 3.31Å; L658-E684 WeakPolarHBondContact O-CA 3.38Å; L658-F685 PolarHBondContact O-N 3.41Å; L658-I704 HydrophobicContact CD2-CB 3.81Å; L658-I704 HydrophobicContact CD2-CD1 3.73Å; L658-I704 HydrophobicContact CD2-CG1 3.98Å |
| 659 | I | 94.9 | Very high | 83.2 | Confident | 1 Ų | 1 | 62.6 Ų | 62.6 | 1% | 0.005 | 33% | 0.329 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.6 | 106.8 | -179.5 | -43.9 | 173.7 | 0 | 0 | 0 | 108 | F685 A691 L695 C703 I704 C705 D706 M709 L717 | I659-F685 HydrophobicContact CG1-CD2 4.33Å; I659-F685 HydrophobicContact CG2-CB 4.33Å; I659-A691 HydrophobicContact CD1-CB 3.53Å; I659-A691 HydrophobicContact CG1-CB 4.11Å; I659-A691 HydrophobicContact CG2-CB 4.05Å; I659-L695 HydrophobicContact CD1-CD1 4.14Å; I659-C703 WeakPolarHBondContact CD1-SG 3.26Å; I659-I704 PolarHBondContact N-O 3.2Å; I659-C705 HydrophobicContact CB-CB 4.49Å; I659-C705 CarbonylContact O-C 3.59Å; I659-C705 WeakPolarHBondContact O-CA 3.5Å; I659-D706 PolarHBondContact O-N 3.3Å; I659-M709 HydrophobicContact CG2-CE 4.13Å; I659-M709 HydrophobicContact CG2-SD 3.54Å; I659-M709 VanDerWaalsContact CG2-SD 3.54Å; I659-L717 HydrophobicContact CD1-CD2 3.68Å; I659-L717 HydrophobicContact CG2-CD2 4.26Å |
| 660 | D | 94 | Very high | 86.2 | Confident | 3 Ų | 3 | 54.8 Ų | 54.8 | 2% | 0.016 | 30% | 0.296 | C | S | . | . | trans | -154.4 | 147.3 | 178.7 | -167.2 | -65 | 0 | 0 | 0 | 106.4 | H662 V665 R666 F685 G686 D706 K753 | D660-H662 VanDerWaalsContact C-N 3.34Å; D660-H662 WeakPolarHBondContact OD1-CA 3.46Å; D660-H662 VanDerWaalsContact OD1-CB 3.27Å; D660-H662 WeakPolarHBondContact OD1-CB 3.21Å; D660-H662 IonicContact OD1-CG 3.46Å; D660-H662 PolarHBondContact OD1-N 3.43Å; D660-H662 IonicContact OD1-ND1 3.28Å; D660-V665 WeakPolarHBondContact OD2-CG1 3.22Å; D660-R666 HydrophobicContact CB-CG 3.73Å; D660-R666 VanDerWaalsContact O-CD 3.28Å; D660-R666 WeakPolarHBondContact O-CD 3.22Å; D660-R666 PolarHBondContact O-NH1 3.18Å; D660-F685 PolarHBondContact N-O 3.4Å; D660-G686 WeakPolarHBondContact O-CA 3.25Å; D660-D706 HydrophobicContact CB-CB 4.22Å; D660-K753 VanDerWaalsContact CG-NZ 3.34Å; D660-K753 IonicContact OD1-NZ 2.75Å; D660-K753 PolarHBondContact OD1-NZ 3Å; D660-K753 WeakPolarHBondContact OD2-CE 3.33Å; D660-K753 IonicContact OD2-NZ 3.28Å; D660-K753 PolarHBondContact OD2-NZ 3.39Å | ||
| 661 | D | 92.5 | Very high | 88.7 | Confident | 58 Ų | 58 | 53.8 Ų | 53.8 | 31% | 0.31 | 29% | 0.286 | S | S | . | . | S | Bend | trans | -75.8 | -26.4 | 176.6 | 65.7 | -39.4 | 0 | 0 | 0 | 111.8 | L663 R666 G686 P710 | D661-L663 PolarHBondContact O-N 2.78Å; D661-R666 VanDerWaalsContact C-NH1 3.27Å; D661-R666 PolarHBondContact O-NH1 3.36Å; D661-G686 WeakPolarHBondContact CA-O 3.28Å; D661-P710 HydrophobicContact CB-CG 4.43Å |
| 662 | H | 91.6 | Very high | 90.5 | Very high | 98 Ų | 98 | 50.7 Ų | 50.7 | 45% | 0.454 | 28% | 0.275 | S | S | . | . | trans | -83.1 | 111.9 | -179.3 | -63.9 | 72.1 | 0 | 0 | 0 | 112.4 | D660 I664 V665 R666 | D660-H662 VanDerWaalsContact C-N 3.34Å; D660-H662 WeakPolarHBondContact OD1-CA 3.46Å; D660-H662 VanDerWaalsContact OD1-CB 3.27Å; D660-H662 WeakPolarHBondContact OD1-CB 3.21Å; D660-H662 IonicContact OD1-CG 3.46Å; D660-H662 PolarHBondContact OD1-N 3.43Å; D660-H662 IonicContact OD1-ND1 3.28Å; H662-I664 PolarHBondContact O-N 3.38Å; H662-V665 HydrophobicContact CB-CB 4.26Å; H662-V665 HydrophobicContact CB-CG2 3.82Å; H662-V665 PolarHBondContact O-N 3.05Å; H662-V665 VanDerWaalsContact O-N 3.09Å; H662-R666 PolarHBondContact O-N 3.32Å | ||
| 663 | L | 88.7 | Confident | 91.7 | Very high | 117 Ų | 117 | 44.3 Ų | 44.3 | 61% | 0.613 | 24% | 0.235 | S | C | * | . | H | α-helix | trans | -56.4 | -35.3 | 178.4 | 179.7 | 63.1 | 0 | 0 | 0 | 113.4 | D661 V665 S667 | D661-L663 PolarHBondContact O-N 2.78Å; L663-V665 VanDerWaalsContact C-N 3.33Å; L663-V665 PolarHBondContact O-N 3.02Å; L663-S667 WeakPolarHBondContact O-CB 3.49Å; L663-S667 PolarHBondContact O-N 3.23Å; L663-S667 PolarHBondContact O-OG 3.2Å |
| 664 | I | 88.2 | Confident | 91.7 | Very high | 134 Ų | 134 | 42.3 Ų | 42.3 | 69% | 0.687 | 24% | 0.24 | S | C | * | . | H | α-helix | trans | -67 | -34.9 | -180 | -161 | 166.2 | 0 | 0 | 0 | 112.2 | H662 S667 G668 | H662-I664 PolarHBondContact O-N 3.38Å; I664-S667 WeakPolarHBondContact CA-OG 3.32Å; I664-S667 PolarHBondContact O-OG 2.97Å; I664-G668 PolarHBondContact O-N 2.68Å |
| 665 | V | 89.1 | Confident | 91.3 | Very high | 28 Ų | 28 | 47.7 Ų | 47.7 | 17% | 0.17 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -71.5 | -48.5 | 177.8 | 179.9 | 0 | 0 | 0 | 0 | 109.4 | D660 H662 L663 S667 G668 F669 | D660-V665 WeakPolarHBondContact OD2-CG1 3.22Å; H662-V665 HydrophobicContact CB-CB 4.26Å; H662-V665 HydrophobicContact CB-CG2 3.82Å; H662-V665 PolarHBondContact O-N 3.05Å; H662-V665 VanDerWaalsContact O-N 3.09Å; L663-V665 VanDerWaalsContact C-N 3.33Å; L663-V665 PolarHBondContact O-N 3.02Å; V665-S667 PolarHBondContact O-N 2.97Å; V665-G668 PolarHBondContact O-N 2.69Å; V665-F669 HydrophobicContact CG1-CD1 4.39Å; V665-F669 HydrophobicContact CG1-CE1 4.31Å; V665-F669 HydrophobicContact CG1-CZ 4.38Å; V665-F669 WeakPolarHBondContact O-CB 3.46Å; V665-F669 PolarHBondContact O-N 2.93Å |
| 666 | R | 92.9 | Very high | 91 | Very high | 36 Ų | 36 | 48.6 Ų | 48.6 | 14% | 0.136 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -58 | -50.4 | 177.3 | -61.4 | -164.8 | -57.1 | -81.6 | 4.2 | 112.2 | L658 D660 D661 H662 F669 A670 F685 | L658-R666 WeakPolarHBondContact CD1-O 3.44Å; D660-R666 HydrophobicContact CB-CG 3.73Å; D660-R666 VanDerWaalsContact O-CD 3.28Å; D660-R666 WeakPolarHBondContact O-CD 3.22Å; D660-R666 PolarHBondContact O-NH1 3.18Å; D661-R666 VanDerWaalsContact C-NH1 3.27Å; D661-R666 PolarHBondContact O-NH1 3.36Å; H662-R666 PolarHBondContact O-N 3.32Å; R666-F669 PolarHBondContact O-N 3.35Å; R666-A670 VanDerWaalsContact O-CB 3.28Å; R666-A670 WeakPolarHBondContact O-CB 3.48Å; R666-A670 PolarHBondContact O-N 2.95Å; R666-F685 VanDerWaalsContact CD-O 3.28Å; R666-F685 WeakPolarHBondContact CD-O 3.41Å |
| 667 | S | 88 | Confident | 90.4 | Very high | 46 Ų | 46 | 54.7 Ų | 54.7 | 32% | 0.322 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -65.8 | -40 | -179.7 | 54.6 | 0 | 0 | 0 | 0 | 113.2 | L663 I664 V665 A670 Q671 | L663-S667 WeakPolarHBondContact O-CB 3.49Å; L663-S667 PolarHBondContact O-N 3.23Å; L663-S667 PolarHBondContact O-OG 3.2Å; I664-S667 WeakPolarHBondContact CA-OG 3.32Å; I664-S667 PolarHBondContact O-OG 2.97Å; V665-S667 PolarHBondContact O-N 2.97Å; S667-A670 PolarHBondContact O-N 3.14Å; S667-Q671 WeakPolarHBondContact O-CG 3.36Å; S667-Q671 PolarHBondContact O-N 2.96Å |
| 668 | G | 88.9 | Confident | 90.1 | Very high | 27 Ų | 27 | 55.1 Ų | 55.1 | 28% | 0.278 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -63.2 | -46.7 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112 | I664 V665 Q671 L672 | I664-G668 PolarHBondContact O-N 2.68Å; V665-G668 PolarHBondContact O-N 2.69Å; G668-Q671 PolarHBondContact O-N 3.02Å; G668-L672 WeakPolarHBondContact O-CG 3.45Å; G668-L672 PolarHBondContact O-N 3.44Å |
| 669 | F | 93.4 | Very high | 89.9 | Confident | 22 Ų | 22 | 55.5 Ų | 55.5 | 10% | 0.096 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -67.1 | -38.7 | 178.6 | -79.2 | 23.4 | 0 | 0 | 0 | 111.5 | L658 V665 R666 Q671 L672 L673 I704 L730 L760 | L658-F669 HydrophobicContact CD1-CB 3.94Å; L658-F669 HydrophobicContact CD2-CB 4.22Å; V665-F669 HydrophobicContact CG1-CD1 4.39Å; V665-F669 HydrophobicContact CG1-CE1 4.31Å; V665-F669 HydrophobicContact CG1-CZ 4.38Å; V665-F669 WeakPolarHBondContact O-CB 3.46Å; V665-F669 PolarHBondContact O-N 2.93Å; R666-F669 PolarHBondContact O-N 3.35Å; F669-Q671 VanDerWaalsContact C-N 3.34Å; F669-Q671 PolarHBondContact O-N 3.04Å; F669-L672 PolarHBondContact O-N 2.84Å; F669-L673 WeakPolarHBondContact O-CB 3.48Å; F669-L673 WeakPolarHBondContact O-CG 3.41Å; F669-L673 PolarHBondContact O-N 3.28Å; F669-I704 HydrophobicContact CD2-CG2 4.47Å; F669-I704 HydrophobicContact CE2-CG2 4.48Å; F669-L730 HydrophobicContact CD2-CD1 4.11Å; F669-L730 HydrophobicContact CE2-CD1 3.52Å; F669-L730 HydrophobicContact CE2-CD2 3.66Å; F669-L730 HydrophobicContact CE2-CG 4.22Å; F669-L730 HydrophobicContact CZ-CD1 4.35Å; F669-L730 HydrophobicContact CZ-CD2 4.1Å; F669-L760 HydrophobicContact CB-CD2 4.14Å; F669-L760 HydrophobicContact CD1-CD2 3.88Å; F669-L760 HydrophobicContact CD2-CD1 3.82Å; F669-L760 HydrophobicContact CD2-CD2 3.69Å; F669-L760 HydrophobicContact CD2-CG 4.44Å; F669-L760 HydrophobicContact CE1-CD2 4.14Å; F669-L760 HydrophobicContact CE2-CD1 3.61Å; F669-L760 HydrophobicContact CE2-CD2 3.94Å; F669-L760 HydrophobicContact CE2-CG 4.41Å; F669-L760 HydrophobicContact CG-CD2 3.65Å; F669-L760 HydrophobicContact CZ-CD1 4.28Å; F669-L760 HydrophobicContact CZ-CD2 4.17Å |
| 670 | A | 93 | Very high | 89.9 | Confident | 21 Ų | 21 | 59.8 Ų | 59.8 | 17% | 0.174 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -61.4 | -41.2 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | L658 R666 S667 G674 V681 | L658-A670 HydrophobicContact CD1-CB 3.84Å; R666-A670 VanDerWaalsContact O-CB 3.28Å; R666-A670 WeakPolarHBondContact O-CB 3.48Å; R666-A670 PolarHBondContact O-N 2.95Å; S667-A670 PolarHBondContact O-N 3.14Å; A670-G674 PolarHBondContact O-N 2.88Å; A670-V681 HydrophobicContact CB-CG2 4.49Å |
| 671 | Q | 89 | Confident | 89.9 | Confident | 146 Ų | 146 | 61.5 Ų | 61.5 | 68% | 0.682 | 35% | 0.345 | S | S | * | . | H | α-helix | trans | -65.4 | -47 | 175.3 | -74.7 | -179.9 | 12.2 | 0 | 0 | 111.9 | S667 G668 F669 G674 L675 | S667-Q671 WeakPolarHBondContact O-CG 3.36Å; S667-Q671 PolarHBondContact O-N 2.96Å; G668-Q671 PolarHBondContact O-N 3.02Å; F669-Q671 VanDerWaalsContact C-N 3.34Å; F669-Q671 PolarHBondContact O-N 3.04Å; Q671-G674 PolarHBondContact O-N 3.07Å; Q671-L675 WeakPolarHBondContact O-CG 3.41Å; Q671-L675 PolarHBondContact O-N 2.86Å |
| 672 | L | 88.5 | Confident | 90 | Very high | 52 Ų | 52 | 60.7 Ų | 60.7 | 27% | 0.272 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -62.1 | -48.2 | -179.9 | -70.4 | 174 | 0 | 0 | 0 | 111.9 | G668 F669 G674 L675 P757 | G668-L672 WeakPolarHBondContact O-CG 3.45Å; G668-L672 PolarHBondContact O-N 3.44Å; F669-L672 PolarHBondContact O-N 2.84Å; L672-G674 PolarHBondContact O-N 3.24Å; L672-L675 WeakPolarHBondContact O-CB 3.41Å; L672-L675 PolarHBondContact O-N 3.23Å; L672-P757 HydrophobicContact CD1-CB 4.16Å; L672-P757 HydrophobicContact CD1-CG 4.09Å; L672-P757 HydrophobicContact CD2-CB 4.03Å; L672-P757 HydrophobicContact CD2-CG 4.08Å |
| 673 | L | 91.6 | Very high | 90 | Very high | 0 Ų | 0 | 56.2 Ų | 56.2 | 0% | 0 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -64.7 | -32 | 176.8 | -65.1 | 170.4 | 0 | 0 | 0 | 111.7 | V656 L658 F669 L675 E676 L679 V681 I704 L760 V764 | V656-L673 HydrophobicContact CG1-CD1 4.06Å; L658-L673 HydrophobicContact CD2-CD1 3.93Å; F669-L673 WeakPolarHBondContact O-CB 3.48Å; F669-L673 WeakPolarHBondContact O-CG 3.41Å; F669-L673 PolarHBondContact O-N 3.28Å; L673-L675 PolarHBondContact O-N 2.91Å; L673-E676 PolarHBondContact O-N 3.1Å; L673-L679 HydrophobicContact CD2-CD1 3.68Å; L673-V681 HydrophobicContact CB-CG2 4.03Å; L673-V681 HydrophobicContact CD1-CG2 3.95Å; L673-I704 HydrophobicContact CD1-CD1 4.03Å; L673-L760 HydrophobicContact CD2-CD2 4.34Å; L673-L760 HydrophobicContact CD2-CG 4.24Å; L673-L760 HydrophobicContact CG-CD2 4.34Å; L673-V764 HydrophobicContact CD2-CG2 3.93Å |
| 674 | G | 87.4 | Confident | 90.3 | Very high | 55 Ų | 55 | 55.1 Ų | 55.1 | 57% | 0.567 | 31% | 0.314 | S | S | * | . | H | α-helix | trans | -72.2 | -11.4 | 177.2 | 0 | 0 | 0 | 0 | 0 | 115.1 | A670 Q671 L672 E676 | A670-G674 PolarHBondContact O-N 2.88Å; Q671-G674 PolarHBondContact O-N 3.07Å; L672-G674 PolarHBondContact O-N 3.24Å; G674-E676 VanDerWaalsContact C-N 3.3Å |
| 675 | L | 84.2 | Confident | 90.6 | Very high | 132 Ų | 132 | 49.7 Ų | 49.7 | 69% | 0.691 | 29% | 0.285 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76.3 | -21.6 | 171.3 | -64.9 | 172.6 | 0 | 0 | 0 | 112 | Q671 L672 L673 | Q671-L675 WeakPolarHBondContact O-CG 3.41Å; Q671-L675 PolarHBondContact O-N 2.86Å; L672-L675 WeakPolarHBondContact O-CB 3.41Å; L672-L675 PolarHBondContact O-N 3.23Å; L673-L675 PolarHBondContact O-N 2.91Å |
| 676 | E | 88.4 | Confident | 90.8 | Very high | 41 Ų | 41 | 49.4 Ų | 49.4 | 19% | 0.192 | 29% | 0.288 | C | S | . | . | S | Bend | trans | -87.2 | 123 | 179.8 | -65.7 | -56 | 131.5 | 0 | 0 | 111.1 | L673 G674 D678 L679 I761 | L673-E676 PolarHBondContact O-N 3.1Å; G674-E676 VanDerWaalsContact C-N 3.3Å; E676-D678 PolarHBondContact O-N 3.32Å; E676-L679 HydrophobicContact CB-CB 4.11Å; E676-L679 HydrophobicContact CB-CD1 3.8Å; E676-L679 HydrophobicContact CB-CG 3.8Å; E676-L679 HydrophobicContact CG-CD1 4.05Å; E676-L679 PolarHBondContact O-N 2.94Å; E676-I761 HydrophobicContact CG-CD1 3.75Å; E676-I761 HydrophobicContact CG-CG1 3.97Å; E676-I761 HydrophobicContact CG-CG2 3.97Å |
| 677 | P | 82 | Confident | 90.7 | Very high | 127 Ų | 127 | 48.7 Ų | 48.7 | 83% | 0.825 | 29% | 0.289 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.9 | -16.8 | -172.5 | 27.3 | -34.7 | 0 | 0 | 0 | 114.3 | ||
| 678 | D | 89.4 | Confident | 90.8 | Very high | 9 Ų | 9 | 46.5 Ų | 46.5 | 5% | 0.048 | 27% | 0.274 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -99.9 | 0.7 | 179 | 58.1 | -26.4 | 0 | 0 | 0 | 113.7 | K651 M653 I654 E676 H765 | K651-D678 HydrophobicContact CB-CB 3.73Å; K651-D678 HydrophobicContact CD-CB 3.88Å; K651-D678 WeakPolarHBondContact CD-OD2 3.2Å; K651-D678 IonicContact NZ-OD2 3.79Å; K651-D678 PolarHBondContact NZ-OD2 3.48Å; M653-D678 CarbonylContact C-O 3.53Å; M653-D678 WeakPolarHBondContact CA-O 3.33Å; I654-D678 PolarHBondContact N-O 3.39Å; E676-D678 PolarHBondContact O-N 3.32Å; D678-H765 IonicContact OD1-NE2 3.55Å; D678-H765 IonicContact OD2-CE1 3.59Å; D678-H765 IonicContact OD2-NE2 3.25Å; D678-H765 PolarHBondContact OD2-NE2 2.89Å |
| 679 | L | 92.9 | Very high | 90.8 | Very high | 12 Ų | 12 | 53.4 Ų | 53.4 | 6% | 0.063 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.3 | 137.6 | 178.7 | -57.4 | -174.9 | 0 | 0 | 0 | 111.2 | I654 L673 E676 V764 | I654-L679 HydrophobicContact CB-CD2 3.72Å; I654-L679 HydrophobicContact CD1-CD2 3.82Å; I654-L679 HydrophobicContact CG1-CD2 4.3Å; I654-L679 HydrophobicContact CG2-CD2 4.19Å; L673-L679 HydrophobicContact CD2-CD1 3.68Å; E676-L679 HydrophobicContact CB-CB 4.11Å; E676-L679 HydrophobicContact CB-CD1 3.8Å; E676-L679 HydrophobicContact CB-CG 3.8Å; E676-L679 HydrophobicContact CG-CD1 4.05Å; E676-L679 PolarHBondContact O-N 2.94Å; L679-V764 HydrophobicContact CD1-CG1 4.18Å; L679-V764 HydrophobicContact CD2-CG1 3.75Å |
| 680 | Q | 94 | Very high | 90.7 | Very high | 91 Ų | 91 | 57.3 Ų | 57.3 | 43% | 0.425 | 31% | 0.31 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.8 | 120.5 | 172.7 | -172.5 | -179.2 | 48.4 | 0 | 0 | 110.9 | M653 I654 T655 V656 V682 | M653-Q680 HydrophobicContact CG-CB 3.81Å; M653-Q680 HydrophobicContact SD-CB 3.41Å; M653-Q680 WeakPolarHBondContact SD-CB 3.34Å; M653-Q680 HydrophobicContact SD-CG 4.09Å; M653-Q680 PolarHBondContact SD-OE1 2.98Å; I654-Q680 PolarHBondContact O-N 3.31Å; T655-Q680 CarbonylContact C-O 3.5Å; T655-Q680 WeakPolarHBondContact CA-O 3.37Å; V656-Q680 PolarHBondContact N-O 3.36Å; Q680-V682 HydrophobicContact CB-CG1 4.42Å; Q680-V682 HydrophobicContact CG-CG1 3.93Å; Q680-V682 PolarHBondContact O-N 2.84Å |
| 681 | V | 94.6 | Very high | 90.7 | Very high | 39 Ų | 39 | 56.3 Ų | 56.3 | 24% | 0.236 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.3 | 115.9 | 168.6 | -177.6 | 0 | 0 | 0 | 0 | 109.1 | V656 L658 A670 L673 E684 | V656-V681 CarbonylContact O-C 3.51Å; V656-V681 WeakPolarHBondContact O-CA 3.28Å; L658-V681 HydrophobicContact CD1-CG1 4.09Å; L658-V681 HydrophobicContact CD1-CG2 4.33Å; L658-V681 HydrophobicContact CG-CG1 4.16Å; A670-V681 HydrophobicContact CB-CG2 4.49Å; L673-V681 HydrophobicContact CB-CG2 4.03Å; L673-V681 HydrophobicContact CD1-CG2 3.95Å; V681-E684 HydrophobicContact CG1-CG 3.95Å |
| 682 | V | 93.6 | Very high | 90.6 | Very high | 41 Ų | 41 | 51.6 Ų | 51.6 | 25% | 0.248 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.4 | -10.2 | -175.1 | -61.1 | 0 | 0 | 0 | 0 | 113.6 | T655 V656 Q680 R698 V700 | T655-V682 HydrophobicContact CG2-CG1 3.85Å; V656-V682 PolarHBondContact O-N 3.46Å; Q680-V682 HydrophobicContact CB-CG1 4.42Å; Q680-V682 HydrophobicContact CG-CG1 3.93Å; Q680-V682 PolarHBondContact O-N 2.84Å; V682-R698 PolarHBondContact O-NH1 3.17Å; V682-V700 HydrophobicContact CG2-CG2 3.61Å |
| 683 | A | 92.9 | Very high | 90.7 | Very high | 5 Ų | 5 | 53.2 Ų | 53.2 | 4% | 0.041 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -155.9 | 142.7 | 176.1 | 0 | 0 | 0 | 0 | 0 | 111.8 | A657 L658 F685 | A657-A683 VanDerWaalsContact CA-O 3.29Å; A657-A683 WeakPolarHBondContact CA-O 3.38Å; A657-A683 HydrophobicContact CB-CB 4.1Å; L658-A683 PolarHBondContact N-O 2.82Å; A683-F685 HydrophobicContact CB-CD2 4.38Å; A683-F685 HydrophobicContact CB-CE2 3.57Å; A683-F685 HydrophobicContact CB-CZ 3.91Å |
| 684 | E | 95 | Very high | 90.5 | Very high | 93 Ų | 93 | 54 Ų | 54 | 44% | 0.435 | 31% | 0.31 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.3 | 133 | 171.6 | -63.6 | -177.9 | -120.6 | 0 | 0 | 108.6 | L658 V681 | L658-E684 HydrophobicContact CB-CG 4.32Å; L658-E684 HydrophobicContact CD1-CG 4.5Å; L658-E684 CarbonylContact O-C 3.54Å; L658-E684 VanDerWaalsContact O-CA 3.31Å; L658-E684 WeakPolarHBondContact O-CA 3.38Å; V681-E684 HydrophobicContact CG1-CG 3.95Å |
| 685 | F | 94.4 | Very high | 90.5 | Very high | 20 Ų | 20 | 51.6 Ų | 51.6 | 9% | 0.088 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.5 | 141.5 | -179.9 | -59.3 | -70.9 | 0 | 0 | 0 | 110.8 | L658 I659 D660 R666 A683 E690 A691 L695 | L658-F685 PolarHBondContact O-N 3.41Å; I659-F685 HydrophobicContact CG1-CD2 4.33Å; I659-F685 HydrophobicContact CG2-CB 4.33Å; D660-F685 PolarHBondContact N-O 3.4Å; R666-F685 VanDerWaalsContact CD-O 3.28Å; R666-F685 WeakPolarHBondContact CD-O 3.41Å; A683-F685 HydrophobicContact CB-CD2 4.38Å; A683-F685 HydrophobicContact CB-CE2 3.57Å; A683-F685 HydrophobicContact CB-CZ 3.91Å; F685-E690 HydrophobicContact CB-CB 4.17Å; F685-E690 HydrophobicContact CD1-CB 3.92Å; F685-E690 HydrophobicContact CG-CB 4.41Å; F685-A691 HydrophobicContact CB-CB 4.04Å; F685-A691 HydrophobicContact CD2-CB 3.81Å; F685-A691 HydrophobicContact CG-CB 3.99Å; F685-L695 HydrophobicContact CD2-CD2 4.48Å; F685-L695 HydrophobicContact CD2-CG 4.45Å; F685-L695 HydrophobicContact CE2-CD2 3.75Å; F685-L695 HydrophobicContact CE2-CG 3.8Å |
| 686 | G | 92.5 | Very high | 90.4 | Very high | 23 Ų | 23 | 49.5 Ų | 49.5 | 24% | 0.237 | 28% | 0.278 | C | S | . | . | S | Bend | trans | -91.3 | -3.4 | -179.9 | 0 | 0 | 0 | 0 | 0 | 114.2 | D660 D661 E690 | D660-G686 WeakPolarHBondContact O-CA 3.25Å; D661-G686 WeakPolarHBondContact CA-O 3.28Å; G686-E690 PolarHBondContact N-OE2 2.9Å |
| 687 | S | 91.4 | Very high | 89.9 | Confident | 21 Ų | 21 | 51.8 Ų | 51.8 | 15% | 0.147 | 31% | 0.313 | C | S | . | . | S | Bend | trans | -155.9 | 159.1 | -176.3 | 64.5 | 0 | 0 | 0 | 0 | 112 | R689 E690 A691 D711 | S687-R689 VanDerWaalsContact C-N 3.35Å; S687-R689 PolarHBondContact O-N 3.4Å; S687-E690 PolarHBondContact O-N 3.39Å; S687-E690 WeakPolarHBondContact OG-CB 3.45Å; S687-E690 WeakPolarHBondContact OG-CG 3.21Å; S687-E690 PolarHBondContact OG-N 3.23Å; S687-A691 PolarHBondContact O-N 3.45Å; S687-D711 WeakPolarHBondContact CB-OD2 3.35Å |
| 688 | G | 89.7 | Confident | 89.9 | Confident | 0 Ų | 0 | 51.7 Ų | 51.7 | 0% | 0 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -66.1 | -35 | 179 | 0 | 0 | 0 | 0 | 0 | 112.9 | A691 L692 D711 | G688-A691 PolarHBondContact O-N 3.02Å; G688-L692 PolarHBondContact O-N 2.74Å; G688-D711 PolarHBondContact N-OD1 3.48Å; G688-D711 PolarHBondContact N-OD2 2.66Å |
| 689 | R | 89.6 | Confident | 89.6 | Confident | 171 Ų | 171 | 54.1 Ų | 54.1 | 65% | 0.645 | 32% | 0.323 | S | S | * | . | H | α-helix | trans | -66.6 | -41.9 | 175.8 | -75.5 | 176.6 | -165 | -146.1 | 3.9 | 113 | S687 A691 L692 A693 D711 I712 | S687-R689 VanDerWaalsContact C-N 3.35Å; S687-R689 PolarHBondContact O-N 3.4Å; R689-A691 VanDerWaalsContact C-N 3.29Å; R689-A691 PolarHBondContact O-N 3.25Å; R689-L692 PolarHBondContact O-N 3.26Å; R689-A693 PolarHBondContact O-N 2.94Å; R689-A693 VanDerWaalsContact O-N 3.17Å; R689-D711 VanDerWaalsContact CB-OD2 3.27Å; R689-D711 WeakPolarHBondContact CB-OD2 3.23Å; R689-D711 WeakPolarHBondContact CG-OD2 3.43Å; R689-D711 PolarHBondContact N-OD2 3.4Å; R689-I712 HydrophobicContact CB-CD1 4.48Å; R689-I712 HydrophobicContact CG-CD1 3.5Å; R689-I712 VanDerWaalsContact CG-CD1 3.5Å; R689-I712 HydrophobicContact CG-CG1 4.02Å |
| 690 | E | 91.6 | Very high | 89.5 | Confident | 105 Ų | 105 | 54.2 Ų | 54.2 | 49% | 0.491 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -61.5 | -41.6 | 175.4 | -77.4 | 174.3 | 178.3 | 0 | 0 | 110.9 | F685 G686 S687 A693 G694 | F685-E690 HydrophobicContact CB-CB 4.17Å; F685-E690 HydrophobicContact CD1-CB 3.92Å; F685-E690 HydrophobicContact CG-CB 4.41Å; G686-E690 PolarHBondContact N-OE2 2.9Å; S687-E690 PolarHBondContact O-N 3.39Å; S687-E690 WeakPolarHBondContact OG-CB 3.45Å; S687-E690 WeakPolarHBondContact OG-CG 3.21Å; S687-E690 PolarHBondContact OG-N 3.23Å; E690-A693 PolarHBondContact O-N 3.49Å; E690-G694 PolarHBondContact O-N 2.98Å |
| 691 | A | 91.3 | Very high | 89.4 | Confident | 0 Ų | 0 | 53.9 Ų | 53.9 | 0% | 0 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -63.3 | -45 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.8 | I659 F685 S687 G688 R689 A693 G694 L695 L717 | I659-A691 HydrophobicContact CD1-CB 3.53Å; I659-A691 HydrophobicContact CG1-CB 4.11Å; I659-A691 HydrophobicContact CG2-CB 4.05Å; F685-A691 HydrophobicContact CB-CB 4.04Å; F685-A691 HydrophobicContact CD2-CB 3.81Å; F685-A691 HydrophobicContact CG-CB 3.99Å; S687-A691 PolarHBondContact O-N 3.45Å; G688-A691 PolarHBondContact O-N 3.02Å; R689-A691 VanDerWaalsContact C-N 3.29Å; R689-A691 PolarHBondContact O-N 3.25Å; A691-A693 VanDerWaalsContact C-N 3.29Å; A691-A693 PolarHBondContact O-N 3.19Å; A691-G694 PolarHBondContact O-N 3.4Å; A691-L695 HydrophobicContact CB-CD1 4.01Å; A691-L695 HydrophobicContact CB-CG 4.44Å; A691-L695 VanDerWaalsContact O-CB 3.26Å; A691-L695 WeakPolarHBondContact O-CB 3.32Å; A691-L695 WeakPolarHBondContact O-CD1 3.49Å; A691-L695 WeakPolarHBondContact O-CG 3.2Å; A691-L695 PolarHBondContact O-N 2.88Å; A691-L717 HydrophobicContact CB-CD2 4.19Å |
| 692 | L | 88.7 | Confident | 89.4 | Confident | 46 Ų | 46 | 52 Ų | 52 | 24% | 0.241 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -60.1 | -38.6 | 177.1 | -76.7 | 171.3 | 0 | 0 | 0 | 113 | G688 R689 P696 I712 L717 Q720 | G688-L692 PolarHBondContact O-N 2.74Å; R689-L692 PolarHBondContact O-N 3.26Å; L692-P696 WeakPolarHBondContact O-CD 3.35Å; L692-I712 HydrophobicContact CD1-CD1 3.68Å; L692-L717 HydrophobicContact CD1-CD1 4.15Å; L692-L717 HydrophobicContact CD2-CD1 3.61Å; L692-L717 HydrophobicContact CG-CD1 3.48Å; L692-L717 VanDerWaalsContact CG-CD1 3.48Å; L692-Q720 HydrophobicContact CD2-CB 3.61Å |
| 693 | A | 89.2 | Confident | 89.5 | Confident | 87 Ų | 87 | 50 Ų | 50 | 72% | 0.719 | 30% | 0.299 | S | S | * | . | H | α-helix | trans | -75.3 | -33.4 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | R689 E690 A691 | R689-A693 PolarHBondContact O-N 2.94Å; R689-A693 VanDerWaalsContact O-N 3.17Å; E690-A693 PolarHBondContact O-N 3.49Å; A691-A693 VanDerWaalsContact C-N 3.29Å; A691-A693 PolarHBondContact O-N 3.19Å |
| 694 | G | 87.7 | Confident | 89.6 | Confident | 17 Ų | 17 | 49.9 Ų | 49.9 | 18% | 0.175 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -98.2 | -23.7 | -168.3 | 0 | 0 | 0 | 0 | 0 | 116.4 | E690 A691 R698 | E690-G694 PolarHBondContact O-N 2.98Å; A691-G694 PolarHBondContact O-N 3.4Å; G694-R698 VanDerWaalsContact O-CD 3.23Å; G694-R698 WeakPolarHBondContact O-CD 3.31Å; G694-R698 WeakPolarHBondContact O-CG 3.4Å; G694-R698 PolarHBondContact O-NE 3.09Å |
| 695 | L | 88 | Confident | 89.6 | Confident | 4 Ų | 4 | 45.5 Ų | 45.5 | 2% | 0.021 | 28% | 0.277 | C | S | . | . | S | Bend | trans | -72.2 | -37.2 | -178.4 | -73.9 | 169.8 | 0 | 0 | 0 | 115.3 | A657 I659 F685 A691 G697 R698 V700 L721 M725 | A657-L695 HydrophobicContact CB-CD2 3.71Å; I659-L695 HydrophobicContact CD1-CD1 4.14Å; F685-L695 HydrophobicContact CD2-CD2 4.48Å; F685-L695 HydrophobicContact CD2-CG 4.45Å; F685-L695 HydrophobicContact CE2-CD2 3.75Å; F685-L695 HydrophobicContact CE2-CG 3.8Å; A691-L695 HydrophobicContact CB-CD1 4.01Å; A691-L695 HydrophobicContact CB-CG 4.44Å; A691-L695 VanDerWaalsContact O-CB 3.26Å; A691-L695 WeakPolarHBondContact O-CB 3.32Å; A691-L695 WeakPolarHBondContact O-CD1 3.49Å; A691-L695 WeakPolarHBondContact O-CG 3.2Å; A691-L695 PolarHBondContact O-N 2.88Å; L695-G697 PolarHBondContact O-N 2.81Å; L695-R698 PolarHBondContact O-N 3.48Å; L695-V700 HydrophobicContact CD2-CG2 4.01Å; L695-L721 HydrophobicContact CD1-CD2 3.35Å; L695-M725 HydrophobicContact CD1-SD 4.41Å; L695-M725 HydrophobicContact CD2-CE 4.45Å |
| 696 | P | 82.1 | Confident | 89.6 | Confident | 88 Ų | 88 | 44.7 Ų | 44.7 | 57% | 0.571 | 27% | 0.274 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.3 | 127.6 | -178.8 | -27.3 | 35.8 | 0 | 0 | 0 | 112.5 | L692 | L692-P696 WeakPolarHBondContact O-CD 3.35Š|
| 697 | G | 77.1 | Confident | 89.5 | Confident | 89 Ų | 89 | 44 Ų | 44 | 92% | 0.918 | 27% | 0.265 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 84.9 | -2.5 | 177 | 0 | 0 | 0 | 0 | 0 | 116.4 | L695 | L695-G697 PolarHBondContact O-N 2.81Š|
| 698 | R | 81.7 | Confident | 89.3 | Confident | 125 Ų | 125 | 46.9 Ų | 46.9 | 47% | 0.472 | 29% | 0.285 | S | S | . | . | S | Bend | trans | -84.3 | -4.9 | -179.9 | -68.1 | -164.6 | -178.2 | -141.8 | 1.3 | 115.8 | V682 G694 L695 V700 | V682-R698 PolarHBondContact O-NH1 3.17Å; G694-R698 VanDerWaalsContact O-CD 3.23Å; G694-R698 WeakPolarHBondContact O-CD 3.31Å; G694-R698 WeakPolarHBondContact O-CG 3.4Å; G694-R698 PolarHBondContact O-NE 3.09Å; L695-R698 PolarHBondContact O-N 3.48Å; R698-V700 HydrophobicContact CB-CG2 4.01Å; R698-V700 PolarHBondContact O-N 3.21Å |
| 699 | G | 82.9 | Confident | 89.3 | Confident | 59 Ų | 59 | 47.6 Ų | 47.6 | 61% | 0.608 | 29% | 0.288 | S | S | * | . | trans | 69 | 16.7 | 178.4 | 0 | 0 | 0 | 0 | 0 | 115.4 | T655 Q701 | T655-G699 PolarHBondContact OG1-O 3.38Å; G699-Q701 PolarHBondContact O-N 3.39Å | ||
| 700 | V | 91.3 | Very high | 88.6 | Confident | 14 Ų | 14 | 44.7 Ų | 44.7 | 9% | 0.085 | 29% | 0.291 | C | S | . | . | trans | -59.6 | 127.9 | -179.3 | 175 | 0 | 0 | 0 | 0 | 111.3 | T655 A657 V682 L695 R698 V702 M725 | T655-V700 WeakPolarHBondContact OG1-CA 3.12Å; A657-V700 HydrophobicContact CB-CB 4.49Å; A657-V700 HydrophobicContact CB-CG1 3.67Å; A657-V700 HydrophobicContact CB-CG2 3.97Å; V682-V700 HydrophobicContact CG2-CG2 3.61Å; L695-V700 HydrophobicContact CD2-CG2 4.01Å; R698-V700 HydrophobicContact CB-CG2 4.01Å; R698-V700 PolarHBondContact O-N 3.21Å; V700-V702 VanDerWaalsContact CG1-O 3.24Å; V700-V702 WeakPolarHBondContact CG1-O 3.19Å; V700-M725 HydrophobicContact CB-CE 3.81Å; V700-M725 HydrophobicContact CB-SD 4.41Å; V700-M725 HydrophobicContact CG1-CE 4.04Å; V700-M725 HydrophobicContact CG1-CG 4.29Å; V700-M725 HydrophobicContact CG1-SD 3.96Å | ||
| 701 | Q | 91.5 | Very high | 88.3 | Confident | 84 Ų | 84 | 42.1 Ų | 42.1 | 39% | 0.393 | 28% | 0.281 | S | S | . | . | trans | -93 | -42.1 | 176.3 | -70.4 | 167.7 | -77.9 | 0 | 0 | 112.4 | M653 I654 T655 G699 A726 | M653-Q701 PolarHBondContact O-OE1 3.43Å; I654-Q701 HydrophobicContact CG2-CB 4.49Å; T655-Q701 PolarHBondContact O-N 3.01Å; T655-Q701 PolarHBondContact OG1-N 2.86Å; T655-Q701 VanDerWaalsContact OG1-N 3.14Å; T655-Q701 PolarHBondContact OG1-OE1 3.09Å; G699-Q701 PolarHBondContact O-N 3.39Å; Q701-A726 PolarHBondContact O-N 2.61Å | ||
| 702 | V | 94.9 | Very high | 88.1 | Confident | 0 Ų | 0 | 42.9 Ų | 42.9 | 0% | 0 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.4 | 132 | -178.3 | -177.7 | 0 | 0 | 0 | 0 | 110.7 | I654 T655 V656 A657 V700 I704 A726 I728 V764 V767 A768 | I654-V702 HydrophobicContact CG2-CG2 3.96Å; T655-V702 PolarHBondContact O-N 2.86Å; V656-V702 CarbonylContact C-O 3.54Å; V656-V702 VanDerWaalsContact CA-O 3.28Å; V656-V702 WeakPolarHBondContact CA-O 3.26Å; V656-V702 HydrophobicContact CG2-CB 4.41Å; A657-V702 PolarHBondContact N-O 3.12Å; V700-V702 VanDerWaalsContact CG1-O 3.24Å; V700-V702 WeakPolarHBondContact CG1-O 3.19Å; V702-I704 HydrophobicContact CG1-CG1 4.46Å; V702-A726 CarbonylContact C-O 3.48Å; V702-A726 VanDerWaalsContact CA-O 3.32Å; V702-A726 WeakPolarHBondContact CA-O 3.32Å; V702-I728 HydrophobicContact CG1-CD1 4.03Å; V702-I728 HydrophobicContact CG1-CG1 4.47Å; V702-V764 HydrophobicContact CG1-CG1 4.45Å; V702-V764 HydrophobicContact CG1-CG2 4.48Å; V702-V764 HydrophobicContact CG2-CG1 4.41Å; V702-V767 HydrophobicContact CB-CG2 4.35Å; V702-V767 HydrophobicContact CG1-CG2 3.56Å; V702-V767 HydrophobicContact CG2-CG2 3.83Å; V702-A768 HydrophobicContact CG2-CB 3.75Å |
| 703 | C | 95 | Very high | 88 | Confident | 0 Ų | 0 | 42.9 Ų | 42.9 | 0% | 0 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.2 | 120.8 | 175 | -178.5 | 0 | 0 | 0 | 0 | 109.6 | I659 M725 A726 T727 I728 | I659-C703 WeakPolarHBondContact CD1-SG 3.26Å; C703-M725 HydrophobicContact CB-CG 3.96Å; C703-M725 HydrophobicContact CB-SD 3.67Å; C703-A726 PolarHBondContact N-O 3.11Å; C703-T727 HydrophobicContact CB-CG2 4.34Å; C703-T727 CarbonylContact O-C 3.41Å; C703-T727 VanDerWaalsContact O-CA 3.27Å; C703-T727 WeakPolarHBondContact O-CA 3.09Å; C703-I728 PolarHBondContact O-N 3.32Å |
| 704 | I | 95.7 | Very high | 88 | Confident | 1 Ų | 1 | 38.8 Ų | 38.8 | 1% | 0.005 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.7 | 116.1 | 172 | -46.2 | -172.5 | 0 | 0 | 0 | 107.3 | V656 A657 L658 I659 F669 L673 V702 I728 L730 L760 V764 | V656-I704 HydrophobicContact CG1-CD1 4.03Å; V656-I704 HydrophobicContact CG1-CG1 3.97Å; A657-I704 PolarHBondContact O-N 2.92Å; L658-I704 HydrophobicContact CD2-CB 3.81Å; L658-I704 HydrophobicContact CD2-CD1 3.73Å; L658-I704 HydrophobicContact CD2-CG1 3.98Å; I659-I704 PolarHBondContact N-O 3.2Å; F669-I704 HydrophobicContact CD2-CG2 4.47Å; F669-I704 HydrophobicContact CE2-CG2 4.48Å; L673-I704 HydrophobicContact CD1-CD1 4.03Å; V702-I704 HydrophobicContact CG1-CG1 4.46Å; I704-I728 HydrophobicContact CG1-CD1 4.41Å; I704-I728 HydrophobicContact CG2-CB 4.45Å; I704-I728 HydrophobicContact CG2-CG2 4.48Å; I704-L730 HydrophobicContact CG2-CD1 3.45Å; I704-L730 VanDerWaalsContact CG2-CD1 3.45Å; I704-L730 HydrophobicContact CG2-CD2 4.19Å; I704-L730 HydrophobicContact CG2-CG 3.63Å; I704-L760 HydrophobicContact CD1-CD1 3.77Å; I704-V764 HydrophobicContact CD1-CG2 3.69Å; I704-V764 HydrophobicContact CG1-CG2 4.48Å |
| 705 | C | 94.6 | Very high | 88 | Confident | 1 Ų | 1 | 39.9 Ų | 39.9 | 1% | 0.007 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.9 | 128.7 | -168.7 | -175.4 | 0 | 0 | 0 | 0 | 111.4 | I659 M709 T727 I728 M729 L730 | I659-C705 HydrophobicContact CB-CB 4.49Å; I659-C705 CarbonylContact O-C 3.59Å; I659-C705 WeakPolarHBondContact O-CA 3.5Å; C705-M709 VanDerWaalsContact SG-CE 3.6Å; C705-T727 HydrophobicContact CB-CG2 4.13Å; C705-I728 PolarHBondContact N-O 3.47Å; C705-M729 HydrophobicContact CB-SD 4.26Å; C705-M729 CarbonylContact O-C 3.57Å; C705-M729 WeakPolarHBondContact O-CA 3.44Å; C705-L730 PolarHBondContact O-N 2.88Å |
| 706 | D | 94.2 | Very high | 88.1 | Confident | 4 Ų | 4 | 44.4 Ų | 44.4 | 2% | 0.021 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.1 | 138.8 | 167 | -170.8 | 21.5 | 0 | 0 | 0 | 111.3 | I659 D660 S708 M709 G714 L730 K753 | I659-D706 PolarHBondContact O-N 3.3Å; D660-D706 HydrophobicContact CB-CB 4.22Å; D706-S708 PolarHBondContact OD1-N 2.85Å; D706-M709 HydrophobicContact CB-CG 4.06Å; D706-M709 WeakPolarHBondContact O-CE 3.29Å; D706-G714 VanDerWaalsContact O-CA 3.27Å; D706-G714 WeakPolarHBondContact O-CA 3.47Å; D706-L730 VanDerWaalsContact OD1-O 3.12Å; D706-K753 WeakPolarHBondContact OD1-CE 3.24Å; D706-K753 IonicContact OD1-NZ 3.97Å; D706-K753 PolarHBondContact OD1-NZ 3.27Å; D706-K753 WeakPolarHBondContact OD2-CE 3.43Å; D706-K753 IonicContact OD2-NZ 3.28Å; D706-K753 PolarHBondContact OD2-NZ 3.43Å |
| 707 | I | 91.3 | Very high | 88.5 | Confident | 8 Ų | 8 | 40.2 Ų | 40.2 | 4% | 0.041 | 25% | 0.251 | C | S | . | . | S | Bend | trans | -75.3 | -31.1 | 177.5 | -159.9 | 155.8 | 0 | 0 | 0 | 111.8 | G714 L715 L730 L738 F750 | I707-G714 PolarHBondContact O-N 3.4Å; I707-L715 HydrophobicContact CD1-CD1 4.19Å; I707-L715 HydrophobicContact CD1-CD2 4.18Å; I707-L715 HydrophobicContact CD1-CG 3.93Å; I707-L715 HydrophobicContact CG1-CD1 4.41Å; I707-L715 HydrophobicContact CG1-CG 3.99Å; I707-L730 WeakPolarHBondContact CB-O 3.01Å; I707-L730 WeakPolarHBondContact CG2-O 3.32Å; I707-L730 PolarHBondContact N-O 3.01Å; I707-L738 HydrophobicContact CD1-CD1 3.52Å; I707-L738 HydrophobicContact CD1-CD2 4.01Å; I707-L738 HydrophobicContact CD1-CG 3.64Å; I707-L738 HydrophobicContact CG1-CD1 4.39Å; I707-L738 HydrophobicContact CG2-CD2 4.4Å; I707-F750 HydrophobicContact CD1-CE2 4.21Å |
| 708 | S | 87.2 | Confident | 89.1 | Confident | 81 Ų | 81 | 36.8 Ų | 36.8 | 57% | 0.566 | 21% | 0.211 | S | C | * | . | trans | -111.2 | 72.9 | -171.8 | -65.9 | 0 | 0 | 0 | 0 | 112.7 | D706 | D706-S708 PolarHBondContact OD1-N 2.85Š| ||
| 709 | M | 88.9 | Confident | 89.3 | Confident | 16 Ų | 16 | 34.9 Ų | 34.9 | 8% | 0.079 | 22% | 0.217 | C | C | . | . | trans | -99.4 | 150.2 | 174.3 | -65.4 | -178.8 | -67.5 | 0 | 0 | 112.1 | I659 C705 D706 D711 I712 L717 | I659-M709 HydrophobicContact CG2-CE 4.13Å; I659-M709 HydrophobicContact CG2-SD 3.54Å; I659-M709 VanDerWaalsContact CG2-SD 3.54Å; C705-M709 VanDerWaalsContact SG-CE 3.6Å; D706-M709 HydrophobicContact CB-CG 4.06Å; D706-M709 WeakPolarHBondContact O-CE 3.29Å; M709-D711 PolarHBondContact O-N 2.96Å; M709-I712 WeakPolarHBondContact CE-O 3.45Å; M709-L717 HydrophobicContact CE-CD2 3.97Å | ||
| 710 | P | 76.6 | Confident | 89.6 | Confident | 109 Ų | 109 | 36.7 Ų | 36.7 | 71% | 0.708 | 21% | 0.21 | S | C | * | . | S | Bend | trans | -72.4 | -18.9 | -170.6 | 25.3 | -34 | 0 | 0 | 0 | 115.8 | D661 | D661-P710 HydrophobicContact CB-CG 4.43Š|
| 711 | D | 85.5 | Confident | 89.3 | Confident | 52 Ų | 52 | 37 Ų | 37 | 28% | 0.278 | 21% | 0.21 | S | C | . | . | S | Bend | trans | -106.3 | -61.5 | -175.4 | 67 | -34.2 | 0 | 0 | 0 | 113.4 | S687 G688 R689 M709 | S687-D711 WeakPolarHBondContact CB-OD2 3.35Å; G688-D711 PolarHBondContact N-OD1 3.48Å; G688-D711 PolarHBondContact N-OD2 2.66Å; R689-D711 VanDerWaalsContact CB-OD2 3.27Å; R689-D711 WeakPolarHBondContact CB-OD2 3.23Å; R689-D711 WeakPolarHBondContact CG-OD2 3.43Å; R689-D711 PolarHBondContact N-OD2 3.4Å; M709-D711 PolarHBondContact O-N 2.96Å |
| 712 | I | 86 | Confident | 88.6 | Confident | 16 Ų | 16 | 36.1 Ų | 36.1 | 8% | 0.082 | 21% | 0.212 | C | C | . | . | S | Bend | trans | -124.4 | 124.2 | 176.5 | -62.3 | 177.6 | 0 | 0 | 0 | 105.7 | R689 L692 M709 E716 L717 | R689-I712 HydrophobicContact CB-CD1 4.48Å; R689-I712 HydrophobicContact CG-CD1 3.5Å; R689-I712 VanDerWaalsContact CG-CD1 3.5Å; R689-I712 HydrophobicContact CG-CG1 4.02Å; L692-I712 HydrophobicContact CD1-CD1 3.68Å; M709-I712 WeakPolarHBondContact CE-O 3.45Å; I712-E716 HydrophobicContact CG2-CB 3.74Å; I712-E716 HydrophobicContact CG2-CG 3.75Å; I712-L717 HydrophobicContact CG2-CB 4.24Å |
| 713 | S | 87 | Confident | 87.6 | Confident | 46 Ų | 46 | 46.7 Ų | 46.7 | 32% | 0.322 | 26% | 0.258 | S | S | . | . | trans | -62.9 | 154.8 | 179.1 | 69.6 | 0 | 0 | 0 | 0 | 111.5 | L715 E716 L717 | S713-L715 PolarHBondContact O-N 2.88Å; S713-E716 PolarHBondContact O-N 3.44Å; S713-E716 WeakPolarHBondContact OG-CB 3.41Å; S713-E716 PolarHBondContact OG-N 3.42Å; S713-L717 PolarHBondContact O-N 2.96Å | ||
| 714 | G | 88.2 | Confident | 86.6 | Confident | 0 Ų | 0 | 50.6 Ų | 50.6 | 0% | 0 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -59.5 | -33.5 | 177.6 | 0 | 0 | 0 | 0 | 0 | 113.1 | D706 I707 L717 L718 M729 | D706-G714 VanDerWaalsContact O-CA 3.27Å; D706-G714 WeakPolarHBondContact O-CA 3.47Å; I707-G714 PolarHBondContact O-N 3.4Å; G714-L717 PolarHBondContact O-N 2.93Å; G714-L718 WeakPolarHBondContact O-CB 3.24Å; G714-L718 PolarHBondContact O-N 3.4Å; G714-M729 VanDerWaalsContact O-CE 3.26Å; G714-M729 WeakPolarHBondContact O-CE 3.28Å |
| 715 | L | 88.5 | Confident | 86.3 | Confident | 41 Ų | 41 | 52 Ų | 52 | 22% | 0.215 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -65.1 | -41.1 | 173.7 | -70.4 | 174.1 | 0 | 0 | 0 | 112.5 | I707 S713 S719 Q741 A742 A745 | I707-L715 HydrophobicContact CD1-CD1 4.19Å; I707-L715 HydrophobicContact CD1-CD2 4.18Å; I707-L715 HydrophobicContact CD1-CG 3.93Å; I707-L715 HydrophobicContact CG1-CD1 4.41Å; I707-L715 HydrophobicContact CG1-CG 3.99Å; S713-L715 PolarHBondContact O-N 2.88Å; L715-S719 PolarHBondContact O-N 3.34Å; L715-Q741 HydrophobicContact CD1-CB 4.39Å; L715-A742 VanDerWaalsContact CD2-CA 3.5Å; L715-A742 HydrophobicContact CD2-CB 3.99Å; L715-A745 HydrophobicContact CD2-CB 4.21Å |
| 716 | E | 89.4 | Confident | 86.1 | Confident | 99 Ų | 99 | 52.5 Ų | 52.5 | 46% | 0.463 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -70.9 | -40.1 | 177.3 | -174.1 | 178.4 | 178 | 0 | 0 | 111.3 | I712 S713 L718 S719 | I712-E716 HydrophobicContact CG2-CB 3.74Å; I712-E716 HydrophobicContact CG2-CG 3.75Å; S713-E716 PolarHBondContact O-N 3.44Å; S713-E716 WeakPolarHBondContact OG-CB 3.41Å; S713-E716 PolarHBondContact OG-N 3.42Å; E716-L718 VanDerWaalsContact C-N 3.34Å; E716-L718 PolarHBondContact O-N 3.13Å; E716-S719 PolarHBondContact O-N 2.89Å; E716-S719 PolarHBondContact O-OG 2.75Å |
| 717 | L | 91 | Very high | 86.2 | Confident | 0 Ų | 0 | 52.4 Ų | 52.4 | 0% | 0 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -59.2 | -46 | 174.1 | 177.7 | 60.5 | 0 | 0 | 0 | 111.1 | I659 A691 L692 M709 I712 S713 G714 S719 Q720 L721 | I659-L717 HydrophobicContact CD1-CD2 3.68Å; I659-L717 HydrophobicContact CG2-CD2 4.26Å; A691-L717 HydrophobicContact CB-CD2 4.19Å; L692-L717 HydrophobicContact CD1-CD1 4.15Å; L692-L717 HydrophobicContact CD2-CD1 3.61Å; L692-L717 HydrophobicContact CG-CD1 3.48Å; L692-L717 VanDerWaalsContact CG-CD1 3.48Å; M709-L717 HydrophobicContact CE-CD2 3.97Å; I712-L717 HydrophobicContact CG2-CB 4.24Å; S713-L717 PolarHBondContact O-N 2.96Å; G714-L717 PolarHBondContact O-N 2.93Å; L717-S719 PolarHBondContact O-N 2.95Å; L717-Q720 CarbonylContact O-C 3.59Å; L717-Q720 WeakPolarHBondContact O-CA 3.07Å; L717-Q720 PolarHBondContact O-N 3.28Å; L717-L721 HydrophobicContact CD1-CD2 4.1Å; L717-L721 HydrophobicContact CD1-CG 4.4Å; L717-L721 HydrophobicContact CG-CD1 4.47Å; L717-L721 HydrophobicContact CG-CD2 4.28Å; L717-L721 HydrophobicContact CG-CG 4.23Å; L717-L721 WeakPolarHBondContact O-CG 3.33Å; L717-L721 PolarHBondContact O-N 3.12Å; L717-L721 VanDerWaalsContact O-N 3.12Å |
| 718 | L | 90 | Very high | 86.4 | Confident | 16 Ų | 16 | 52 Ų | 52 | 8% | 0.084 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -54 | -39 | 179.4 | -179.6 | 62.2 | 0 | 0 | 0 | 112.8 | G714 E716 Q720 L721 T727 M729 A745 A747 | G714-L718 WeakPolarHBondContact O-CB 3.24Å; G714-L718 PolarHBondContact O-N 3.4Å; E716-L718 VanDerWaalsContact C-N 3.34Å; E716-L718 PolarHBondContact O-N 3.13Å; L718-Q720 PolarHBondContact O-N 2.89Å; L718-L721 HydrophobicContact CD1-CD1 4.49Å; L718-L721 PolarHBondContact O-N 3.02Å; L718-T727 HydrophobicContact CD1-CG2 3.89Å; L718-T727 WeakPolarHBondContact CD1-OG1 3.47Å; L718-M729 HydrophobicContact CB-CE 3.59Å; L718-M729 HydrophobicContact CD1-CE 4.14Å; L718-M729 HydrophobicContact CD2-CE 3.61Å; L718-M729 HydrophobicContact CG-CE 3.99Å; L718-A745 HydrophobicContact CD2-CB 3.66Å; L718-A745 WeakPolarHBondContact CD2-O 3.2Å; L718-A747 HydrophobicContact CD2-CB 4.01Å |
| 719 | S | 86.1 | Confident | 86.7 | Confident | 86 Ų | 86 | 48.2 Ų | 48.2 | 60% | 0.601 | 28% | 0.281 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.2 | -16.8 | 178 | 75.9 | 0 | 0 | 0 | 0 | 114.2 | L715 E716 L717 | L715-S719 PolarHBondContact O-N 3.34Å; E716-S719 PolarHBondContact O-N 2.89Å; E716-S719 PolarHBondContact O-OG 2.75Å; L717-S719 PolarHBondContact O-N 2.95Å |
| 720 | Q | 88.4 | Confident | 86.9 | Confident | 97 Ų | 97 | 47.6 Ų | 47.6 | 45% | 0.453 | 28% | 0.278 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -110.7 | -6.9 | -175.9 | -64.9 | -178.5 | 59 | 0 | 0 | 113.5 | L692 L717 L718 | L692-Q720 HydrophobicContact CD2-CB 3.61Å; L717-Q720 CarbonylContact O-C 3.59Å; L717-Q720 WeakPolarHBondContact O-CA 3.07Å; L717-Q720 PolarHBondContact O-N 3.28Å; L718-Q720 PolarHBondContact O-N 2.89Å |
| 721 | L | 85 | Confident | 87.5 | Confident | 19 Ų | 19 | 42.5 Ų | 42.5 | 10% | 0.099 | 25% | 0.245 | C | C | . | . | S | Bend | trans | -69 | 150.2 | 178.3 | -73.1 | 176.5 | 0 | 0 | 0 | 112.1 | L695 L717 L718 K723 M725 T727 | L695-L721 HydrophobicContact CD1-CD2 3.35Å; L717-L721 HydrophobicContact CD1-CD2 4.1Å; L717-L721 HydrophobicContact CD1-CG 4.4Å; L717-L721 HydrophobicContact CG-CD1 4.47Å; L717-L721 HydrophobicContact CG-CD2 4.28Å; L717-L721 HydrophobicContact CG-CG 4.23Å; L717-L721 WeakPolarHBondContact O-CG 3.33Å; L717-L721 PolarHBondContact O-N 3.12Å; L717-L721 VanDerWaalsContact O-N 3.12Å; L718-L721 HydrophobicContact CD1-CD1 4.49Å; L718-L721 PolarHBondContact O-N 3.02Å; L721-K723 PolarHBondContact O-N 2.9Å; L721-M725 HydrophobicContact CD2-SD 4.37Å; L721-T727 HydrophobicContact CD1-CG2 4.36Å |
| 722 | P | 77.7 | Confident | 87.5 | Confident | 66 Ų | 66 | 43.8 Ų | 43.8 | 43% | 0.429 | 26% | 0.255 | S | S | . | . | P | Polyproline II helix | trans | -55.9 | 132.7 | 176.1 | -24.1 | 33.5 | 0 | 0 | 0 | 112.4 | G724 M725 | P722-G724 PolarHBondContact O-N 3.35Å; P722-M725 HydrophobicContact CG-CE 4.37Å; P722-M725 PolarHBondContact O-N 2.79Å |
| 723 | K | 72.7 | Confident | 87.3 | Confident | 222 Ų | 222 | 49.2 Ų | 49.2 | 97% | 0.965 | 28% | 0.279 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.6 | 120.3 | 174 | -66.6 | -172.9 | 178.3 | -176.2 | 0 | 109.6 | L721 | L721-K723 PolarHBondContact O-N 2.9Š|
| 724 | G | 74.6 | Confident | 86.6 | Confident | 83 Ų | 83 | 49.2 Ų | 49.2 | 86% | 0.856 | 28% | 0.276 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 120 | -13.9 | -178.8 | 0 | 0 | 0 | 0 | 0 | 114.4 | P722 | P722-G724 PolarHBondContact O-N 3.35Š|
| 725 | M | 88.8 | Confident | 86.2 | Confident | 29 Ų | 29 | 51.9 Ų | 51.9 | 14% | 0.143 | 29% | 0.294 | C | S | . | . | trans | -83.8 | 126.2 | 172.7 | -168.3 | 176 | -62.5 | 0 | 0 | 110.2 | L695 V700 C703 L721 P722 | L695-M725 HydrophobicContact CD1-SD 4.41Å; L695-M725 HydrophobicContact CD2-CE 4.45Å; V700-M725 HydrophobicContact CB-CE 3.81Å; V700-M725 HydrophobicContact CB-SD 4.41Å; V700-M725 HydrophobicContact CG1-CE 4.04Å; V700-M725 HydrophobicContact CG1-CG 4.29Å; V700-M725 HydrophobicContact CG1-SD 3.96Å; C703-M725 HydrophobicContact CB-CG 3.96Å; C703-M725 HydrophobicContact CB-SD 3.67Å; L721-M725 HydrophobicContact CD2-SD 4.37Å; P722-M725 HydrophobicContact CG-CE 4.37Å; P722-M725 PolarHBondContact O-N 2.79Å | ||
| 726 | A | 92.1 | Very high | 85.6 | Confident | 13 Ų | 13 | 52.5 Ų | 52.5 | 11% | 0.107 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.6 | 123.4 | 178.1 | 0 | 0 | 0 | 0 | 0 | 110.2 | Q701 V702 C703 R748 V767 | Q701-A726 PolarHBondContact O-N 2.61Å; V702-A726 CarbonylContact C-O 3.48Å; V702-A726 VanDerWaalsContact CA-O 3.32Å; V702-A726 WeakPolarHBondContact CA-O 3.32Å; C703-A726 PolarHBondContact N-O 3.11Å; A726-R748 HydrophobicContact CB-CB 4.5Å; A726-R748 HydrophobicContact CB-CG 4.45Å; A726-V767 HydrophobicContact CB-CB 4.02Å; A726-V767 HydrophobicContact CB-CG2 4.14Å; A726-V767 WeakPolarHBondContact CB-O 3.42Å |
| 727 | T | 94.6 | Very high | 85.1 | Confident | 2 Ų | 2 | 50.6 Ų | 50.6 | 1% | 0.012 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.3 | 129.4 | -174.1 | -51 | 0 | 0 | 0 | 0 | 112.4 | C703 C705 L718 L721 M729 R748 G749 | C703-T727 HydrophobicContact CB-CG2 4.34Å; C703-T727 CarbonylContact O-C 3.41Å; C703-T727 VanDerWaalsContact O-CA 3.27Å; C703-T727 WeakPolarHBondContact O-CA 3.09Å; C705-T727 HydrophobicContact CB-CG2 4.13Å; L718-T727 HydrophobicContact CD1-CG2 3.89Å; L718-T727 WeakPolarHBondContact CD1-OG1 3.47Å; L721-T727 HydrophobicContact CD1-CG2 4.36Å; T727-M729 HydrophobicContact CG2-CE 3.76Å; T727-R748 PolarHBondContact O-N 3.47Å; T727-G749 PolarHBondContact O-N 3.04Å; T727-G749 VanDerWaalsContact O-N 3.13Å |
| 728 | I | 95.4 | Very high | 84.8 | Confident | 0 Ų | 0 | 52.2 Ų | 52.2 | 0% | 0 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102 | 124.3 | 169.2 | -60.8 | 167.5 | 0 | 0 | 0 | 108.1 | V702 C703 I704 C705 G749 L751 A763 V764 V767 | V702-I728 HydrophobicContact CG1-CD1 4.03Å; V702-I728 HydrophobicContact CG1-CG1 4.47Å; C703-I728 PolarHBondContact O-N 3.32Å; I704-I728 HydrophobicContact CG1-CD1 4.41Å; I704-I728 HydrophobicContact CG2-CB 4.45Å; I704-I728 HydrophobicContact CG2-CG2 4.48Å; C705-I728 PolarHBondContact N-O 3.47Å; I728-G749 WeakPolarHBondContact CA-O 3.43Å; I728-L751 HydrophobicContact CG2-CB 4.41Å; I728-L751 HydrophobicContact CG2-CD1 3.85Å; I728-L751 HydrophobicContact CG2-CG 3.86Å; I728-A763 HydrophobicContact CD1-CB 3.83Å; I728-V764 HydrophobicContact CD1-CG2 4.01Å; I728-V767 HydrophobicContact CD1-CG1 4.27Å; I728-V767 HydrophobicContact CD1-CG2 3.67Å; I728-V767 HydrophobicContact CG1-CB 4.43Å; I728-V767 HydrophobicContact CG1-CG1 3.88Å; I728-V767 HydrophobicContact CG1-CG2 3.82Å |
| 729 | M | 94.6 | Very high | 84.5 | Confident | 0 Ų | 0 | 51.4 Ų | 51.4 | 0% | 0 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.1 | 130.8 | 173.7 | -71.4 | -63.1 | 164.1 | 0 | 0 | 111 | C705 G714 L718 T727 A742 A747 G749 F750 L751 | C705-M729 HydrophobicContact CB-SD 4.26Å; C705-M729 CarbonylContact O-C 3.57Å; C705-M729 WeakPolarHBondContact O-CA 3.44Å; G714-M729 VanDerWaalsContact O-CE 3.26Å; G714-M729 WeakPolarHBondContact O-CE 3.28Å; L718-M729 HydrophobicContact CB-CE 3.59Å; L718-M729 HydrophobicContact CD1-CE 4.14Å; L718-M729 HydrophobicContact CD2-CE 3.61Å; L718-M729 HydrophobicContact CG-CE 3.99Å; T727-M729 HydrophobicContact CG2-CE 3.76Å; M729-A742 HydrophobicContact CB-CB 4.38Å; M729-A742 HydrophobicContact CG-CB 3.96Å; M729-A747 HydrophobicContact CG-CB 3.86Å; M729-G749 PolarHBondContact N-O 3.36Å; M729-F750 HydrophobicContact CB-CD2 3.76Å; M729-F750 HydrophobicContact CB-CE2 4.12Å; M729-F750 HydrophobicContact CB-CG 4.4Å; M729-F750 CarbonylContact O-C 3.52Å; M729-F750 WeakPolarHBondContact O-CA 3.16Å; M729-L751 PolarHBondContact O-N 2.76Å |
| 730 | L | 92.8 | Very high | 84.3 | Confident | 4 Ų | 4 | 52.3 Ų | 52.3 | 2% | 0.021 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.8 | 138.6 | 169.7 | -67.7 | 170.9 | 0 | 0 | 0 | 109.8 | F669 I704 C705 D706 I707 L751 K753 | F669-L730 HydrophobicContact CD2-CD1 4.11Å; F669-L730 HydrophobicContact CE2-CD1 3.52Å; F669-L730 HydrophobicContact CE2-CD2 3.66Å; F669-L730 HydrophobicContact CE2-CG 4.22Å; F669-L730 HydrophobicContact CZ-CD1 4.35Å; F669-L730 HydrophobicContact CZ-CD2 4.1Å; I704-L730 HydrophobicContact CG2-CD1 3.45Å; I704-L730 VanDerWaalsContact CG2-CD1 3.45Å; I704-L730 HydrophobicContact CG2-CD2 4.19Å; I704-L730 HydrophobicContact CG2-CG 3.63Å; C705-L730 PolarHBondContact O-N 2.88Å; D706-L730 VanDerWaalsContact OD1-O 3.12Å; I707-L730 WeakPolarHBondContact CB-O 3.01Å; I707-L730 WeakPolarHBondContact CG2-O 3.32Å; I707-L730 PolarHBondContact N-O 3.01Å; L730-L751 WeakPolarHBondContact CA-O 3.45Å; L730-L751 HydrophobicContact CD2-CB 3.8Å; L730-L751 HydrophobicContact CD2-CD1 4.39Å; L730-K753 HydrophobicContact CB-CG 4.14Å |
| 731 | S | 89.9 | Confident | 84.2 | Confident | 2 Ų | 2 | 52.8 Ų | 52.8 | 1% | 0.014 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -148 | 147.7 | 174.7 | -176.6 | 0 | 0 | 0 | 0 | 111.8 | H733 L751 S752 K753 | S731-H733 VanDerWaalsContact C-N 3.26Å; S731-H733 WeakPolarHBondContact CB-O 3.34Å; S731-H733 PolarHBondContact OG-N 3.04Å; S731-H733 PolarHBondContact OG-O 3.11Å; S731-L751 PolarHBondContact N-O 3.18Å; S731-L751 VanDerWaalsContact N-O 3.11Å; S731-S752 CarbonylContact O-C 3.51Å; S731-S752 VanDerWaalsContact O-CA 3.32Å; S731-S752 WeakPolarHBondContact O-CA 3.41Å; S731-K753 PolarHBondContact O-N 3.12Å |
| 732 | V | 86 | Confident | 84.3 | Confident | 79 Ų | 79 | 51.9 Ų | 51.9 | 48% | 0.479 | 30% | 0.298 | S | S | . | . | S | Bend | trans | -72.6 | -26.3 | 167 | -178.8 | 0 | 0 | 0 | 0 | 110.8 | K753 | V732-K753 HydrophobicContact CG2-CD 3.93Å; V732-K753 HydrophobicContact CG2-CG 4.38Å |
| 733 | H | 80.5 | Confident | 84.7 | Confident | 130 Ų | 130 | 51.2 Ų | 51.2 | 60% | 0.602 | 29% | 0.291 | S | S | * | . | trans | -112.2 | 130.1 | -178.7 | -58 | -66.5 | 0 | 0 | 0 | 111 | S731 | S731-H733 VanDerWaalsContact C-N 3.26Å; S731-H733 WeakPolarHBondContact CB-O 3.34Å; S731-H733 PolarHBondContact OG-N 3.04Å; S731-H733 PolarHBondContact OG-O 3.11Å | ||
| 734 | D | 73.4 | Confident | 85.3 | Confident | 46 Ų | 46 | 47.3 Ų | 47.3 | 25% | 0.246 | 28% | 0.281 | C | S | . | . | trans | -112.4 | 39.6 | -176.7 | 66.2 | -8.9 | 0 | 0 | 0 | 112.1 | I778 K781 | D734-I778 HydrophobicContact CB-CD1 3.96Å; D734-I778 HydrophobicContact CB-CG1 3.97Å; D734-K781 IonicContact OD1-NZ 2.69Å; D734-K781 PolarHBondContact OD1-NZ 2.8Å; D734-K781 IonicContact OD2-NZ 2.73Å; D734-K781 PolarHBondContact OD2-NZ 3.07Å | ||
| 735 | S | 79.2 | Confident | 85.9 | Confident | 55 Ų | 55 | 45.5 Ų | 45.5 | 39% | 0.385 | 26% | 0.257 | S | S | . | . | trans | -66.2 | 138.3 | -179.7 | 68.4 | 0 | 0 | 0 | 0 | 111.1 | A737 L738 V739 | S735-A737 PolarHBondContact O-N 3.42Å; S735-A737 VanDerWaalsContact O-N 3.16Å; S735-L738 PolarHBondContact O-N 2.91Å; S735-L738 WeakPolarHBondContact OG-CB 3.24Å; S735-V739 WeakPolarHBondContact O-CG2 3.4Å; S735-V739 PolarHBondContact O-N 3.02Å; S735-V739 VanDerWaalsContact O-N 3.14Å | ||
| 736 | P | 75.7 | Confident | 85.9 | Confident | 55 Ų | 55 | 46.2 Ų | 46.2 | 36% | 0.357 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -52.2 | -41 | -178.5 | -29.2 | 34.8 | 0 | 0 | 0 | 113.8 | L738 V739 E740 K781 L782 | P736-L738 PolarHBondContact O-N 2.94Å; P736-V739 PolarHBondContact O-N 3.21Å; P736-E740 WeakPolarHBondContact O-CG 3.49Å; P736-E740 PolarHBondContact O-N 2.91Å; P736-K781 HydrophobicContact CG-CB 4.34Å; P736-L782 HydrophobicContact CB-CD2 4.33Å |
| 737 | A | 78.5 | Confident | 85.8 | Confident | 58 Ų | 58 | 45.9 Ų | 45.9 | 48% | 0.479 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -62 | -39.4 | 178.4 | 0 | 0 | 0 | 0 | 0 | 113.2 | S735 Q741 | S735-A737 PolarHBondContact O-N 3.42Å; S735-A737 VanDerWaalsContact O-N 3.16Å; A737-Q741 WeakPolarHBondContact O-CB 3.42Å; A737-Q741 VanDerWaalsContact O-CG 3.24Å; A737-Q741 WeakPolarHBondContact O-CG 3.46Å; A737-Q741 PolarHBondContact O-N 3.38Å |
| 738 | L | 83.8 | Confident | 85.7 | Confident | 34 Ų | 34 | 51.3 Ų | 51.3 | 18% | 0.178 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -71.1 | -38.4 | 179 | -171.1 | 67.9 | 0 | 0 | 0 | 111.2 | I707 S735 P736 Q741 A742 F750 | I707-L738 HydrophobicContact CD1-CD1 3.52Å; I707-L738 HydrophobicContact CD1-CD2 4.01Å; I707-L738 HydrophobicContact CD1-CG 3.64Å; I707-L738 HydrophobicContact CG1-CD1 4.39Å; I707-L738 HydrophobicContact CG2-CD2 4.4Å; S735-L738 PolarHBondContact O-N 2.91Å; S735-L738 WeakPolarHBondContact OG-CB 3.24Å; P736-L738 PolarHBondContact O-N 2.94Å; L738-Q741 PolarHBondContact O-N 3.32Å; L738-A742 WeakPolarHBondContact O-CB 3.31Å; L738-A742 PolarHBondContact O-N 2.74Å; L738-F750 HydrophobicContact CD2-CZ 4.15Å; L738-F750 HydrophobicContact CG-CE2 4.39Å; L738-F750 HydrophobicContact CG-CZ 4.28Å |
| 739 | V | 84.3 | Confident | 85.5 | Confident | 0 Ų | 0 | 51.3 Ų | 51.3 | 0% | 0 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -65.6 | -44.7 | 176.2 | -175.6 | 0 | 0 | 0 | 0 | 110.6 | S735 P736 Q741 A742 L743 F750 L774 I778 L782 | S735-V739 WeakPolarHBondContact O-CG2 3.4Å; S735-V739 PolarHBondContact O-N 3.02Å; S735-V739 VanDerWaalsContact O-N 3.14Å; P736-V739 PolarHBondContact O-N 3.21Å; V739-Q741 PolarHBondContact O-N 3.29Å; V739-A742 PolarHBondContact O-N 3.09Å; V739-L743 HydrophobicContact CG1-CD1 4.06Å; V739-L743 HydrophobicContact CG1-CG 4.41Å; V739-L743 VanDerWaalsContact O-CG 3.31Å; V739-L743 WeakPolarHBondContact O-CG 3.28Å; V739-L743 PolarHBondContact O-N 3.4Å; V739-F750 HydrophobicContact CB-CD2 4.32Å; V739-F750 HydrophobicContact CB-CE2 4.45Å; V739-F750 HydrophobicContact CB-CG 4.46Å; V739-F750 HydrophobicContact CG1-CB 4.12Å; V739-F750 HydrophobicContact CG1-CD2 4.19Å; V739-F750 HydrophobicContact CG1-CG 4.07Å; V739-F750 HydrophobicContact CG2-CD1 3.87Å; V739-F750 HydrophobicContact CG2-CD2 4.13Å; V739-F750 HydrophobicContact CG2-CE1 3.78Å; V739-F750 HydrophobicContact CG2-CE2 4.05Å; V739-F750 HydrophobicContact CG2-CG 4.03Å; V739-F750 HydrophobicContact CG2-CZ 3.87Å; V739-L774 HydrophobicContact CG1-CD2 3.98Å; V739-I778 HydrophobicContact CB-CG2 4.34Å; V739-I778 HydrophobicContact CG1-CG2 3.76Å; V739-I778 HydrophobicContact CG2-CG2 3.8Å; V739-L782 HydrophobicContact CB-CD1 4.42Å; V739-L782 HydrophobicContact CB-CD2 4.42Å; V739-L782 HydrophobicContact CG1-CD1 3.69Å; V739-L782 HydrophobicContact CG1-CD2 4.49Å; V739-L782 HydrophobicContact CG1-CG 4.4Å |
| 740 | E | 82 | Confident | 85.4 | Confident | 105 Ų | 105 | 51.3 Ų | 51.3 | 49% | 0.491 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -60.8 | -43.1 | 174.6 | -75.4 | -174 | 172.4 | 0 | 0 | 112.2 | P736 A742 L743 N744 L782 | P736-E740 WeakPolarHBondContact O-CG 3.49Å; P736-E740 PolarHBondContact O-N 2.91Å; E740-A742 PolarHBondContact O-N 2.9Å; E740-L743 PolarHBondContact O-N 3.06Å; E740-N744 VanDerWaalsContact O-CB 3.25Å; E740-N744 WeakPolarHBondContact O-CB 3.29Å; E740-N744 PolarHBondContact O-N 3.15Å; E740-N744 PolarHBondContact O-ND2 3.4Å; E740-N744 VanDerWaalsContact O-ND2 3.1Å; E740-L782 HydrophobicContact CG-CD2 3.68Å |
| 741 | Q | 85.9 | Confident | 85.3 | Confident | 107 Ų | 107 | 51.1 Ų | 51.1 | 50% | 0.5 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -59.8 | -44.3 | 175.8 | -76.8 | 173.4 | 6.8 | 0 | 0 | 112 | L715 A737 L738 V739 N744 A745 | L715-Q741 HydrophobicContact CD1-CB 4.39Å; A737-Q741 WeakPolarHBondContact O-CB 3.42Å; A737-Q741 VanDerWaalsContact O-CG 3.24Å; A737-Q741 WeakPolarHBondContact O-CG 3.46Å; A737-Q741 PolarHBondContact O-N 3.38Å; L738-Q741 PolarHBondContact O-N 3.32Å; V739-Q741 PolarHBondContact O-N 3.29Å; Q741-N744 PolarHBondContact O-N 3.47Å; Q741-A745 VanDerWaalsContact O-CB 3.3Å; Q741-A745 WeakPolarHBondContact O-CB 3.28Å; Q741-A745 PolarHBondContact O-N 3.48Å |
| 742 | A | 88.6 | Confident | 85.2 | Confident | 0 Ų | 0 | 51.9 Ų | 51.9 | 0% | 0 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -63.3 | -46.9 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.6 | L715 M729 L738 V739 E740 A745 G746 A747 F750 | L715-A742 VanDerWaalsContact CD2-CA 3.5Å; L715-A742 HydrophobicContact CD2-CB 3.99Å; M729-A742 HydrophobicContact CB-CB 4.38Å; M729-A742 HydrophobicContact CG-CB 3.96Å; L738-A742 WeakPolarHBondContact O-CB 3.31Å; L738-A742 PolarHBondContact O-N 2.74Å; V739-A742 PolarHBondContact O-N 3.09Å; E740-A742 PolarHBondContact O-N 2.9Å; A742-A745 PolarHBondContact O-N 2.76Å; A742-G746 PolarHBondContact O-N 3.32Å; A742-A747 HydrophobicContact CB-CB 4.16Å; A742-A747 WeakPolarHBondContact O-CB 3.49Å; A742-A747 PolarHBondContact O-N 3.27Å; A742-F750 HydrophobicContact CB-CD2 3.7Å; A742-F750 HydrophobicContact CB-CE2 3.9Å |
| 743 | L | 86 | Confident | 85.3 | Confident | 51 Ų | 51 | 50.1 Ų | 50.1 | 27% | 0.267 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -63.8 | -42.4 | 178.1 | -67.6 | 174.6 | 0 | 0 | 0 | 111.5 | V739 E740 A745 G746 L774 L782 | V739-L743 HydrophobicContact CG1-CD1 4.06Å; V739-L743 HydrophobicContact CG1-CG 4.41Å; V739-L743 VanDerWaalsContact O-CG 3.31Å; V739-L743 WeakPolarHBondContact O-CG 3.28Å; V739-L743 PolarHBondContact O-N 3.4Å; E740-L743 PolarHBondContact O-N 3.06Å; L743-A745 VanDerWaalsContact C-N 3.3Å; L743-A745 PolarHBondContact O-N 3.27Å; L743-G746 PolarHBondContact O-N 3.15Å; L743-L774 HydrophobicContact CD1-CD1 4.25Å; L743-L774 HydrophobicContact CD1-CD2 4.4Å; L743-L774 HydrophobicContact CD2-CD2 4.4Å; L743-L782 HydrophobicContact CD1-CD1 4.46Å |
| 744 | N | 85.4 | Confident | 85.4 | Confident | 141 Ų | 141 | 54 Ų | 54 | 75% | 0.754 | 29% | 0.289 | S | S | * | . | H | α-helix | trans | -65.9 | -31.2 | 176.8 | -73.5 | -29.1 | 0 | 0 | 0 | 112.8 | E740 Q741 G746 | E740-N744 VanDerWaalsContact O-CB 3.25Å; E740-N744 WeakPolarHBondContact O-CB 3.29Å; E740-N744 PolarHBondContact O-N 3.15Å; E740-N744 PolarHBondContact O-ND2 3.4Å; E740-N744 VanDerWaalsContact O-ND2 3.1Å; Q741-N744 PolarHBondContact O-N 3.47Å; N744-G746 PolarHBondContact O-N 3.3Å |
| 745 | A | 86.6 | Confident | 85.8 | Confident | 45 Ų | 45 | 52.8 Ų | 52.8 | 37% | 0.372 | 28% | 0.284 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -76 | -8 | 174.1 | 0 | 0 | 0 | 0 | 0 | 113.3 | L715 L718 Q741 A742 L743 | L715-A745 HydrophobicContact CD2-CB 4.21Å; L718-A745 HydrophobicContact CD2-CB 3.66Å; L718-A745 WeakPolarHBondContact CD2-O 3.2Å; Q741-A745 VanDerWaalsContact O-CB 3.3Å; Q741-A745 WeakPolarHBondContact O-CB 3.28Å; Q741-A745 PolarHBondContact O-N 3.48Å; A742-A745 PolarHBondContact O-N 2.76Å; L743-A745 VanDerWaalsContact C-N 3.3Å; L743-A745 PolarHBondContact O-N 3.27Å |
| 746 | G | 88.3 | Confident | 86 | Confident | 44 Ų | 44 | 52.5 Ų | 52.5 | 45% | 0.454 | 28% | 0.282 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 109.5 | 9.8 | 175.1 | 0 | 0 | 0 | 0 | 0 | 115.5 | A742 L743 N744 | A742-G746 PolarHBondContact O-N 3.32Å; L743-G746 PolarHBondContact O-N 3.15Å; N744-G746 PolarHBondContact O-N 3.3Å |
| 747 | A | 91.1 | Very high | 86.3 | Confident | 5 Ų | 5 | 52.5 Ų | 52.5 | 4% | 0.041 | 28% | 0.282 | C | S | . | . | trans | -63.9 | 140.8 | 174.9 | 0 | 0 | 0 | 0 | 0 | 110.2 | L718 M729 A742 | L718-A747 HydrophobicContact CD2-CB 4.01Å; M729-A747 HydrophobicContact CG-CB 3.86Å; A742-A747 HydrophobicContact CB-CB 4.16Å; A742-A747 WeakPolarHBondContact O-CB 3.49Å; A742-A747 PolarHBondContact O-N 3.27Å | ||
| 748 | R | 91.8 | Very high | 86.4 | Confident | 117 Ų | 117 | 55.6 Ų | 55.6 | 44% | 0.442 | 29% | 0.29 | S | S | . | . | S | Bend | trans | -101.7 | -10.4 | 175.5 | -66.2 | -63.7 | -118 | -170.3 | 3.7 | 112.4 | A726 T727 V767 G770 C772 Y773 | A726-R748 HydrophobicContact CB-CB 4.5Å; A726-R748 HydrophobicContact CB-CG 4.45Å; T727-R748 PolarHBondContact O-N 3.47Å; R748-V767 HydrophobicContact CB-CB 4.09Å; R748-V767 HydrophobicContact CB-CG1 3.82Å; R748-V767 VanDerWaalsContact O-CG1 3.31Å; R748-V767 WeakPolarHBondContact O-CG1 3.13Å; R748-G770 PolarHBondContact NH2-O 2.62Å; R748-C772 CarbonylContact O-C 3.52Å; R748-C772 WeakPolarHBondContact O-CA 3.27Å; R748-C772 PolarHBondContact O-SG 2.78Å; R748-C772 VanDerWaalsContact O-SG 3.38Å; R748-Y773 PolarHBondContact O-N 2.94Å |
| 749 | G | 90.4 | Very high | 86.5 | Confident | 0 Ų | 0 | 56.2 Ų | 56.2 | 0% | 0 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.3 | 158.4 | 168.7 | 0 | 0 | 0 | 0 | 0 | 112.8 | T727 I728 M729 Y773 | T727-G749 PolarHBondContact O-N 3.04Å; T727-G749 VanDerWaalsContact O-N 3.13Å; I728-G749 WeakPolarHBondContact CA-O 3.43Å; M729-G749 PolarHBondContact N-O 3.36Å; G749-Y773 CarbonylContact C-O 3.46Å; G749-Y773 WeakPolarHBondContact CA-O 3.46Å |
| 750 | F | 93 | Very high | 86.8 | Confident | 0 Ų | 0 | 56.3 Ų | 56.3 | 0% | 0 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.3 | 123.2 | 170.8 | -161.1 | -71.7 | 0 | 0 | 0 | 109.4 | I707 M729 L738 V739 A742 Y773 L774 I778 | I707-F750 HydrophobicContact CD1-CE2 4.21Å; M729-F750 HydrophobicContact CB-CD2 3.76Å; M729-F750 HydrophobicContact CB-CE2 4.12Å; M729-F750 HydrophobicContact CB-CG 4.4Å; M729-F750 CarbonylContact O-C 3.52Å; M729-F750 WeakPolarHBondContact O-CA 3.16Å; L738-F750 HydrophobicContact CD2-CZ 4.15Å; L738-F750 HydrophobicContact CG-CE2 4.39Å; L738-F750 HydrophobicContact CG-CZ 4.28Å; V739-F750 HydrophobicContact CB-CD2 4.32Å; V739-F750 HydrophobicContact CB-CE2 4.45Å; V739-F750 HydrophobicContact CB-CG 4.46Å; V739-F750 HydrophobicContact CG1-CB 4.12Å; V739-F750 HydrophobicContact CG1-CD2 4.19Å; V739-F750 HydrophobicContact CG1-CG 4.07Å; V739-F750 HydrophobicContact CG2-CD1 3.87Å; V739-F750 HydrophobicContact CG2-CD2 4.13Å; V739-F750 HydrophobicContact CG2-CE1 3.78Å; V739-F750 HydrophobicContact CG2-CE2 4.05Å; V739-F750 HydrophobicContact CG2-CG 4.03Å; V739-F750 HydrophobicContact CG2-CZ 3.87Å; A742-F750 HydrophobicContact CB-CD2 3.7Å; A742-F750 HydrophobicContact CB-CE2 3.9Å; F750-Y773 PolarHBondContact N-O 3.42Å; F750-L774 HydrophobicContact CB-CD2 3.61Å; F750-I778 HydrophobicContact CD1-CD1 3.61Å; F750-I778 HydrophobicContact CE1-CD1 4.15Å |
| 751 | L | 91 | Very high | 87.1 | Confident | 0 Ų | 0 | 52.3 Ų | 52.3 | 0% | 0 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.6 | 145.2 | -179.4 | -66.5 | -180 | 0 | 0 | 0 | 110.2 | I728 M729 L730 S731 L760 A763 Y773 T775 | I728-L751 HydrophobicContact CG2-CB 4.41Å; I728-L751 HydrophobicContact CG2-CD1 3.85Å; I728-L751 HydrophobicContact CG2-CG 3.86Å; M729-L751 PolarHBondContact O-N 2.76Å; L730-L751 WeakPolarHBondContact CA-O 3.45Å; L730-L751 HydrophobicContact CD2-CB 3.8Å; L730-L751 HydrophobicContact CD2-CD1 4.39Å; S731-L751 PolarHBondContact N-O 3.18Å; S731-L751 VanDerWaalsContact N-O 3.11Å; L751-L760 HydrophobicContact CD1-CD1 3.84Å; L751-A763 HydrophobicContact CD1-CB 3.79Å; L751-A763 HydrophobicContact CD2-CB 4.09Å; L751-A763 HydrophobicContact CG-CB 4.2Å; L751-Y773 HydrophobicContact CD2-CD1 3.75Å; L751-Y773 HydrophobicContact CD2-CE1 3.55Å; L751-T775 HydrophobicContact CD2-CG2 3.65Å |
| 752 | S | 87.6 | Confident | 87 | Confident | 18 Ų | 18 | 48.9 Ų | 48.9 | 13% | 0.126 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.3 | 145.8 | 162.9 | -177.1 | 0 | 0 | 0 | 0 | 109.6 | S731 R754 C755 | S731-S752 CarbonylContact O-C 3.51Å; S731-S752 VanDerWaalsContact O-CA 3.32Å; S731-S752 WeakPolarHBondContact O-CA 3.41Å; S752-R754 PolarHBondContact O-N 3.29Å; S752-R754 PolarHBondContact OG-N 2.96Å; S752-C755 WeakPolarHBondContact O-CB 3.2Å; S752-C755 PolarHBondContact O-N 2.93Å; S752-C755 PolarHBondContact O-SG 2.62Å; S752-C755 VanDerWaalsContact O-SG 3.36Å |
| 753 | K | 87.3 | Confident | 87.1 | Confident | 42 Ų | 42 | 48.9 Ų | 48.9 | 18% | 0.183 | 27% | 0.265 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -62.3 | -3.5 | 166.7 | -68 | -162.8 | -172.7 | -166.8 | 0 | 113.2 | D660 D706 L730 S731 V732 | D660-K753 VanDerWaalsContact CG-NZ 3.34Å; D660-K753 IonicContact OD1-NZ 2.75Å; D660-K753 PolarHBondContact OD1-NZ 3Å; D660-K753 WeakPolarHBondContact OD2-CE 3.33Å; D660-K753 IonicContact OD2-NZ 3.28Å; D660-K753 PolarHBondContact OD2-NZ 3.39Å; D706-K753 WeakPolarHBondContact OD1-CE 3.24Å; D706-K753 IonicContact OD1-NZ 3.97Å; D706-K753 PolarHBondContact OD1-NZ 3.27Å; D706-K753 WeakPolarHBondContact OD2-CE 3.43Å; D706-K753 IonicContact OD2-NZ 3.28Å; D706-K753 PolarHBondContact OD2-NZ 3.43Å; L730-K753 HydrophobicContact CB-CG 4.14Å; S731-K753 PolarHBondContact O-N 3.12Å; V732-K753 HydrophobicContact CG2-CD 3.93Å; V732-K753 HydrophobicContact CG2-CG 4.38Å |
| 754 | R | 82.6 | Confident | 87.4 | Confident | 212 Ų | 212 | 46.5 Ų | 46.5 | 80% | 0.8 | 25% | 0.252 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -100.9 | 7.4 | 173.3 | -54.3 | -177.9 | -175.1 | -159.7 | 0.1 | 113.5 | S752 | S752-R754 PolarHBondContact O-N 3.29Å; S752-R754 PolarHBondContact OG-N 2.96Å |
| 755 | C | 82.6 | Confident | 87.6 | Confident | 20 Ų | 20 | 41.5 Ų | 41.5 | 14% | 0.135 | 22% | 0.224 | C | C | . | . | trans | -58 | 151.5 | 179.1 | 64.7 | 0 | 0 | 0 | 0 | 111.8 | S752 E759 | S752-C755 WeakPolarHBondContact O-CB 3.2Å; S752-C755 PolarHBondContact O-N 2.93Å; S752-C755 PolarHBondContact O-SG 2.62Å; S752-C755 VanDerWaalsContact O-SG 3.36Å; C755-E759 WeakPolarHBondContact CA-OE2 3.35Å; C755-E759 HydrophobicContact CB-CB 4.09Å; C755-E759 VanDerWaalsContact CB-OE2 3.32Å; C755-E759 WeakPolarHBondContact CB-OE2 3.5Å | ||
| 756 | S | 83.2 | Confident | 87.4 | Confident | 48 Ų | 48 | 41 Ų | 41 | 34% | 0.336 | 22% | 0.216 | S | C | . | . | trans | -71.4 | 161.2 | 171.5 | 76.5 | 0 | 0 | 0 | 0 | 111.2 | D758 E759 L760 | S756-D758 VanDerWaalsContact C-N 3.26Å; S756-D758 PolarHBondContact O-N 3.25Å; S756-E759 PolarHBondContact N-OE2 3.02Å; S756-E759 PolarHBondContact O-N 2.95Å; S756-E759 WeakPolarHBondContact OG-CG 3.01Å; S756-E759 PolarHBondContact OG-N 3.07Å; S756-L760 PolarHBondContact O-N 2.85Å | ||
| 757 | P | 82.7 | Confident | 87.4 | Confident | 56 Ų | 56 | 39 Ų | 39 | 36% | 0.364 | 20% | 0.195 | S | C | . | . | H | α-helix | trans | -53.2 | -42.2 | 171.3 | -28.8 | 37.2 | 0 | 0 | 0 | 113.4 | L672 E759 L760 I761 | L672-P757 HydrophobicContact CD1-CB 4.16Å; L672-P757 HydrophobicContact CD1-CG 4.09Å; L672-P757 HydrophobicContact CD2-CB 4.03Å; L672-P757 HydrophobicContact CD2-CG 4.08Å; P757-E759 PolarHBondContact O-N 2.85Å; P757-L760 WeakPolarHBondContact O-CB 3.27Å; P757-L760 PolarHBondContact O-N 3.37Å; P757-I761 WeakPolarHBondContact O-CG1 3.5Å; P757-I761 PolarHBondContact O-N 2.79Å |
| 758 | D | 80.5 | Confident | 87.2 | Confident | 122 Ų | 122 | 40.2 Ų | 40.2 | 65% | 0.652 | 21% | 0.206 | S | C | * | . | H | α-helix | trans | -64.4 | -39.9 | 180 | -62.7 | -26.4 | 0 | 0 | 0 | 112 | S756 L760 I761 A762 | S756-D758 VanDerWaalsContact C-N 3.26Å; S756-D758 PolarHBondContact O-N 3.25Å; D758-L760 VanDerWaalsContact C-N 3.32Å; D758-L760 PolarHBondContact O-N 3.45Å; D758-I761 PolarHBondContact O-N 2.88Å; D758-A762 WeakPolarHBondContact O-CB 3.32Å; D758-A762 PolarHBondContact O-N 3.14Å |
| 759 | E | 85 | Confident | 86.8 | Confident | 48 Ų | 48 | 39 Ų | 39 | 22% | 0.224 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -64.6 | -38.1 | 176.7 | -72.7 | 179.5 | 137.5 | 0 | 0 | 111.9 | C755 S756 P757 A763 | C755-E759 WeakPolarHBondContact CA-OE2 3.35Å; C755-E759 HydrophobicContact CB-CB 4.09Å; C755-E759 VanDerWaalsContact CB-OE2 3.32Å; C755-E759 WeakPolarHBondContact CB-OE2 3.5Å; S756-E759 PolarHBondContact N-OE2 3.02Å; S756-E759 PolarHBondContact O-N 2.95Å; S756-E759 WeakPolarHBondContact OG-CG 3.01Å; S756-E759 PolarHBondContact OG-N 3.07Å; P757-E759 PolarHBondContact O-N 2.85Å; E759-A763 VanDerWaalsContact O-CB 3.25Å; E759-A763 WeakPolarHBondContact O-CB 3.45Å; E759-A763 PolarHBondContact O-N 2.75Å |
| 760 | L | 90.4 | Very high | 86.3 | Confident | 1 Ų | 1 | 40.9 Ų | 40.9 | 1% | 0.005 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -63.9 | -48.9 | 175.8 | 179 | 65.5 | 0 | 0 | 0 | 111.1 | F669 L673 I704 L751 S756 P757 D758 A763 V764 | F669-L760 HydrophobicContact CB-CD2 4.14Å; F669-L760 HydrophobicContact CD1-CD2 3.88Å; F669-L760 HydrophobicContact CD2-CD1 3.82Å; F669-L760 HydrophobicContact CD2-CD2 3.69Å; F669-L760 HydrophobicContact CD2-CG 4.44Å; F669-L760 HydrophobicContact CE1-CD2 4.14Å; F669-L760 HydrophobicContact CE2-CD1 3.61Å; F669-L760 HydrophobicContact CE2-CD2 3.94Å; F669-L760 HydrophobicContact CE2-CG 4.41Å; F669-L760 HydrophobicContact CG-CD2 3.65Å; F669-L760 HydrophobicContact CZ-CD1 4.28Å; F669-L760 HydrophobicContact CZ-CD2 4.17Å; L673-L760 HydrophobicContact CD2-CD2 4.34Å; L673-L760 HydrophobicContact CD2-CG 4.24Å; L673-L760 HydrophobicContact CG-CD2 4.34Å; I704-L760 HydrophobicContact CD1-CD1 3.77Å; L751-L760 HydrophobicContact CD1-CD1 3.84Å; S756-L760 PolarHBondContact O-N 2.85Å; P757-L760 WeakPolarHBondContact O-CB 3.27Å; P757-L760 PolarHBondContact O-N 3.37Å; D758-L760 VanDerWaalsContact C-N 3.32Å; D758-L760 PolarHBondContact O-N 3.45Å; L760-A763 PolarHBondContact O-N 2.86Å; L760-V764 WeakPolarHBondContact O-CG2 3.43Å; L760-V764 PolarHBondContact O-N 2.82Å |
| 761 | I | 89.9 | Confident | 85.5 | Confident | 22 Ų | 22 | 42.1 Ų | 42.1 | 11% | 0.113 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -63.4 | -46.7 | 179.8 | -67.4 | 163.1 | 0 | 0 | 0 | 110.3 | E676 P757 D758 A763 V764 H765 | E676-I761 HydrophobicContact CG-CD1 3.75Å; E676-I761 HydrophobicContact CG-CG1 3.97Å; E676-I761 HydrophobicContact CG-CG2 3.97Å; P757-I761 WeakPolarHBondContact O-CG1 3.5Å; P757-I761 PolarHBondContact O-N 2.79Å; D758-I761 PolarHBondContact O-N 2.88Å; I761-A763 VanDerWaalsContact C-N 3.3Å; I761-A763 PolarHBondContact O-N 2.82Å; I761-V764 PolarHBondContact O-N 2.73Å; I761-H765 VanDerWaalsContact CG2-CE1 3.46Å; I761-H765 WeakPolarHBondContact CG2-CE1 3.39Å; I761-H765 PolarHBondContact O-N 3.38Å |
| 762 | A | 83.5 | Confident | 85 | Confident | 35 Ų | 35 | 45.5 Ų | 45.5 | 29% | 0.289 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -59.6 | -41.1 | 176.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | D758 T766 Y773 | D758-A762 WeakPolarHBondContact O-CB 3.32Å; D758-A762 PolarHBondContact O-N 3.14Å; A762-T766 VanDerWaalsContact O-CB 3.26Å; A762-T766 WeakPolarHBondContact O-CB 3.37Å; A762-T766 PolarHBondContact O-N 2.84Å; A762-T766 PolarHBondContact O-OG1 2.91Å; A762-Y773 HydrophobicContact CB-CE2 3.83Å |
| 763 | A | 89.5 | Confident | 85 | Confident | 0 Ų | 0 | 46.6 Ų | 46.6 | 0% | 0 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -62.5 | -46.4 | 176.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | I728 L751 E759 L760 I761 T766 V767 Y773 | I728-A763 HydrophobicContact CD1-CB 3.83Å; L751-A763 HydrophobicContact CD1-CB 3.79Å; L751-A763 HydrophobicContact CD2-CB 4.09Å; L751-A763 HydrophobicContact CG-CB 4.2Å; E759-A763 VanDerWaalsContact O-CB 3.25Å; E759-A763 WeakPolarHBondContact O-CB 3.45Å; E759-A763 PolarHBondContact O-N 2.75Å; L760-A763 PolarHBondContact O-N 2.86Å; I761-A763 VanDerWaalsContact C-N 3.3Å; I761-A763 PolarHBondContact O-N 2.82Å; A763-T766 PolarHBondContact O-N 2.81Å; A763-V767 WeakPolarHBondContact O-CG1 3.11Å; A763-V767 WeakPolarHBondContact O-CG2 3.31Å; A763-V767 PolarHBondContact O-N 2.8Å; A763-Y773 HydrophobicContact CB-CD1 3.43Å; A763-Y773 VanDerWaalsContact CB-CD1 3.43Å; A763-Y773 HydrophobicContact CB-CD2 4.38Å; A763-Y773 HydrophobicContact CB-CE1 3.91Å; A763-Y773 HydrophobicContact CB-CG 3.7Å |
| 764 | V | 93.1 | Very high | 84.6 | Confident | 0 Ų | 0 | 46.6 Ų | 46.6 | 0% | 0 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -60.7 | -47.8 | 179 | 172.4 | 0 | 0 | 0 | 0 | 111.2 | I654 V656 L673 L679 V702 I704 I728 L760 I761 V767 A768 | I654-V764 HydrophobicContact CG2-CG1 4.28Å; V656-V764 HydrophobicContact CG2-CG1 3.87Å; L673-V764 HydrophobicContact CD2-CG2 3.93Å; L679-V764 HydrophobicContact CD1-CG1 4.18Å; L679-V764 HydrophobicContact CD2-CG1 3.75Å; V702-V764 HydrophobicContact CG1-CG1 4.45Å; V702-V764 HydrophobicContact CG1-CG2 4.48Å; V702-V764 HydrophobicContact CG2-CG1 4.41Å; I704-V764 HydrophobicContact CD1-CG2 3.69Å; I704-V764 HydrophobicContact CG1-CG2 4.48Å; I728-V764 HydrophobicContact CD1-CG2 4.01Å; L760-V764 WeakPolarHBondContact O-CG2 3.43Å; L760-V764 PolarHBondContact O-N 2.82Å; I761-V764 PolarHBondContact O-N 2.73Å; V764-V767 WeakPolarHBondContact O-CG2 3.44Å; V764-A768 WeakPolarHBondContact O-CB 3.44Å; V764-A768 PolarHBondContact O-N 3.28Å |
| 765 | H | 89.5 | Confident | 84 | Confident | 37 Ų | 37 | 36.9 Ų | 36.9 | 17% | 0.171 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -60 | -48.4 | 176.6 | -69.1 | 152.2 | 0 | 0 | 0 | 111.7 | D678 I761 V767 A768 T769 | D678-H765 IonicContact OD1-NE2 3.55Å; D678-H765 IonicContact OD2-CE1 3.59Å; D678-H765 IonicContact OD2-NE2 3.25Å; D678-H765 PolarHBondContact OD2-NE2 2.89Å; I761-H765 VanDerWaalsContact CG2-CE1 3.46Å; I761-H765 WeakPolarHBondContact CG2-CE1 3.39Å; I761-H765 PolarHBondContact O-N 3.38Å; H765-V767 PolarHBondContact O-N 2.95Å; H765-A768 PolarHBondContact O-N 2.85Å; H765-T769 PolarHBondContact O-N 3.11Å; H765-T769 PolarHBondContact O-OG1 3.38Å |
| 766 | T | 82.5 | Confident | 83.3 | Confident | 34 Ų | 34 | 39.7 Ų | 39.7 | 21% | 0.209 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -61.1 | -43.5 | -178 | -58.5 | 0 | 0 | 0 | 0 | 112.2 | A762 A763 T769 G771 Y773 | A762-T766 VanDerWaalsContact O-CB 3.26Å; A762-T766 WeakPolarHBondContact O-CB 3.37Å; A762-T766 PolarHBondContact O-N 2.84Å; A762-T766 PolarHBondContact O-OG1 2.91Å; A763-T766 PolarHBondContact O-N 2.81Å; T766-T769 PolarHBondContact O-OG1 2.8Å; T766-T769 VanDerWaalsContact O-OG1 3.12Å; T766-G771 WeakPolarHBondContact O-CA 3.19Å; T766-G771 PolarHBondContact O-N 2.85Å; T766-Y773 HydrophobicContact CG2-CD2 4.37Å |
| 767 | V | 88.7 | Confident | 82.4 | Confident | 2 Ų | 2 | 42.6 Ų | 42.6 | 1% | 0.012 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -77.4 | -29.7 | -178.5 | -57.5 | 0 | 0 | 0 | 0 | 112.3 | V702 A726 I728 R748 A763 V764 H765 T769 G770 | V702-V767 HydrophobicContact CB-CG2 4.35Å; V702-V767 HydrophobicContact CG1-CG2 3.56Å; V702-V767 HydrophobicContact CG2-CG2 3.83Å; A726-V767 HydrophobicContact CB-CB 4.02Å; A726-V767 HydrophobicContact CB-CG2 4.14Å; A726-V767 WeakPolarHBondContact CB-O 3.42Å; I728-V767 HydrophobicContact CD1-CG1 4.27Å; I728-V767 HydrophobicContact CD1-CG2 3.67Å; I728-V767 HydrophobicContact CG1-CB 4.43Å; I728-V767 HydrophobicContact CG1-CG1 3.88Å; I728-V767 HydrophobicContact CG1-CG2 3.82Å; R748-V767 HydrophobicContact CB-CB 4.09Å; R748-V767 HydrophobicContact CB-CG1 3.82Å; R748-V767 VanDerWaalsContact O-CG1 3.31Å; R748-V767 WeakPolarHBondContact O-CG1 3.13Å; A763-V767 WeakPolarHBondContact O-CG1 3.11Å; A763-V767 WeakPolarHBondContact O-CG2 3.31Å; A763-V767 PolarHBondContact O-N 2.8Å; V764-V767 WeakPolarHBondContact O-CG2 3.44Å; H765-V767 PolarHBondContact O-N 2.95Å; V767-T769 VanDerWaalsContact C-N 3.3Å; V767-T769 PolarHBondContact O-N 2.92Å; V767-G770 PolarHBondContact O-N 3.04Å; V767-G770 VanDerWaalsContact O-N 3.09Å |
| 768 | A | 87.8 | Confident | 81.8 | Confident | 31 Ų | 31 | 40 Ų | 40 | 26% | 0.256 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -64.8 | -33.9 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | I654 V702 V764 H765 G770 | I654-A768 HydrophobicContact CD1-CB 3.74Å; I654-A768 HydrophobicContact CG1-CB 4.12Å; I654-A768 HydrophobicContact CG2-CB 3.87Å; V702-A768 HydrophobicContact CG2-CB 3.75Å; V764-A768 WeakPolarHBondContact O-CB 3.44Å; V764-A768 PolarHBondContact O-N 3.28Å; H765-A768 PolarHBondContact O-N 2.85Å; A768-G770 PolarHBondContact O-N 3.13Å |
| 769 | T | 81.8 | Confident | 81.2 | Confident | 92 Ų | 92 | 35.8 Ų | 35.8 | 56% | 0.564 | 23% | 0.228 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -83.3 | 3.5 | 174.9 | 60 | 0 | 0 | 0 | 0 | 113.1 | E620 H765 T766 V767 | E620-T769 WeakPolarHBondContact OE1-CB 3.46Å; E620-T769 WeakPolarHBondContact OE1-CG2 3.45Å; E620-T769 PolarHBondContact OE1-OG1 3.33Å; H765-T769 PolarHBondContact O-N 3.11Å; H765-T769 PolarHBondContact O-OG1 3.38Å; T766-T769 PolarHBondContact O-OG1 2.8Å; T766-T769 VanDerWaalsContact O-OG1 3.12Å; V767-T769 VanDerWaalsContact C-N 3.3Å; V767-T769 PolarHBondContact O-N 2.92Å |
| 770 | G | 80.2 | Confident | 80.1 | Confident | 39 Ų | 39 | 38.5 Ų | 38.5 | 40% | 0.402 | 24% | 0.244 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 91.1 | 5.1 | 176.8 | 0 | 0 | 0 | 0 | 0 | 114.7 | R748 V767 A768 | R748-G770 PolarHBondContact NH2-O 2.62Å; V767-G770 PolarHBondContact O-N 3.04Å; V767-G770 VanDerWaalsContact O-N 3.09Å; A768-G770 PolarHBondContact O-N 3.13Å |
| 771 | G | 75.9 | Confident | 78.8 | Confident | 26 Ų | 26 | 42.2 Ų | 42.2 | 27% | 0.268 | 26% | 0.26 | S | S | . | . | trans | -72.3 | -176.1 | 174.9 | 0 | 0 | 0 | 0 | 0 | 114.2 | T766 | T766-G771 WeakPolarHBondContact O-CA 3.19Å; T766-G771 PolarHBondContact O-N 2.85Å | ||
| 772 | C | 81.3 | Confident | 77.6 | Confident | 70 Ų | 70 | 43.1 Ų | 43.1 | 47% | 0.473 | 26% | 0.264 | S | S | . | . | trans | -126.3 | 131 | 172.9 | -177.4 | 0 | 0 | 0 | 0 | 109.4 | R748 | R748-C772 CarbonylContact O-C 3.52Å; R748-C772 WeakPolarHBondContact O-CA 3.27Å; R748-C772 PolarHBondContact O-SG 2.78Å; R748-C772 VanDerWaalsContact O-SG 3.38Å | ||
| 773 | Y | 86.3 | Confident | 76.3 | Confident | 41 Ų | 41 | 45.2 Ų | 45.2 | 16% | 0.161 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.2 | 125 | -178.1 | -169.9 | -86.1 | 0 | 0 | 0 | 112.5 | R748 G749 F750 L751 A762 A763 T766 T775 | R748-Y773 PolarHBondContact O-N 2.94Å; G749-Y773 CarbonylContact C-O 3.46Å; G749-Y773 WeakPolarHBondContact CA-O 3.46Å; F750-Y773 PolarHBondContact N-O 3.42Å; L751-Y773 HydrophobicContact CD2-CD1 3.75Å; L751-Y773 HydrophobicContact CD2-CE1 3.55Å; A762-Y773 HydrophobicContact CB-CE2 3.83Å; A763-Y773 HydrophobicContact CB-CD1 3.43Å; A763-Y773 VanDerWaalsContact CB-CD1 3.43Å; A763-Y773 HydrophobicContact CB-CD2 4.38Å; A763-Y773 HydrophobicContact CB-CE1 3.91Å; A763-Y773 HydrophobicContact CB-CG 3.7Å; T766-Y773 HydrophobicContact CG2-CD2 4.37Å; Y773-T775 HydrophobicContact CE1-CG2 4.32Å |
| 774 | L | 80.3 | Confident | 74.3 | Confident | 43 Ų | 43 | 48.8 Ų | 48.8 | 23% | 0.225 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.2 | 134.3 | 170.2 | -61.4 | 172.8 | 0 | 0 | 0 | 107.4 | V739 L743 F750 I778 A779 L782 | V739-L774 HydrophobicContact CG1-CD2 3.98Å; L743-L774 HydrophobicContact CD1-CD1 4.25Å; L743-L774 HydrophobicContact CD1-CD2 4.4Å; L743-L774 HydrophobicContact CD2-CD2 4.4Å; F750-L774 HydrophobicContact CB-CD2 3.61Å; L774-I778 HydrophobicContact CB-CG2 4.4Å; L774-I778 HydrophobicContact CD2-CG2 4.18Å; L774-A779 HydrophobicContact CB-CB 4.33Å; L774-L782 HydrophobicContact CD1-CD1 3.71Å |
| 775 | T | 70.2 | Confident | 72.1 | Confident | 8 Ų | 8 | 51.8 Ų | 51.8 | 5% | 0.049 | 34% | 0.337 | C | S | . | . | trans | -56.3 | 147.1 | 171.9 | 55.9 | 0 | 0 | 0 | 0 | 110 | L751 Y773 D777 I778 A779 | L751-T775 HydrophobicContact CD2-CG2 3.65Å; Y773-T775 HydrophobicContact CE1-CG2 4.32Å; T775-D777 PolarHBondContact O-N 2.92Å; T775-D777 VanDerWaalsContact O-N 3.14Å; T775-I778 PolarHBondContact O-N 2.99Å; T775-I778 WeakPolarHBondContact OG1-CB 3.26Å; T775-I778 WeakPolarHBondContact OG1-CD1 3.04Å; T775-I778 WeakPolarHBondContact OG1-CG1 3.44Å; T775-A779 PolarHBondContact O-N 2.79Å | ||
| 776 | P | 67.5 | Low | 69.8 | Low | 78 Ų | 78 | 61.2 Ų | 61.2 | 51% | 0.506 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -50.5 | -41.7 | -178.4 | -28.7 | 35.3 | 0 | 0 | 0 | 113.7 | I778 A779 I780 | P776-I778 PolarHBondContact O-N 3.14Å; P776-A779 PolarHBondContact O-N 3.32Å; P776-I780 WeakPolarHBondContact O-CB 3.29Å; P776-I780 WeakPolarHBondContact O-CG1 3.48Å; P776-I780 PolarHBondContact O-N 3.43Å |
| 777 | D | 63.5 | Low | 67.9 | Low | 109 Ų | 109 | 68 Ų | 68 | 58% | 0.583 | 40% | 0.401 | S | S | * | . | H | α-helix | trans | -62.1 | -43.9 | 179.1 | -71.7 | -16.5 | 0 | 0 | 0 | 112.5 | T775 I780 K781 | T775-D777 PolarHBondContact O-N 2.92Å; T775-D777 VanDerWaalsContact O-N 3.14Å; D777-I780 PolarHBondContact O-N 3.46Å; D777-K781 WeakPolarHBondContact O-CB 3.32Å; D777-K781 VanDerWaalsContact O-CG 3.29Å; D777-K781 WeakPolarHBondContact O-CG 3.48Å; D777-K781 PolarHBondContact O-N 3.28Å |
| 778 | I | 70.2 | Confident | 66.4 | Low | 1 Ų | 1 | 71.2 Ų | 71.2 | 1% | 0.005 | 42% | 0.418 | C | S | . | . | H | α-helix | trans | -66.3 | -43.2 | 176.2 | -67.6 | 178.8 | 0 | 0 | 0 | 110.8 | D734 V739 F750 L774 T775 P776 I780 K781 L782 | D734-I778 HydrophobicContact CB-CD1 3.96Å; D734-I778 HydrophobicContact CB-CG1 3.97Å; V739-I778 HydrophobicContact CB-CG2 4.34Å; V739-I778 HydrophobicContact CG1-CG2 3.76Å; V739-I778 HydrophobicContact CG2-CG2 3.8Å; F750-I778 HydrophobicContact CD1-CD1 3.61Å; F750-I778 HydrophobicContact CE1-CD1 4.15Å; L774-I778 HydrophobicContact CB-CG2 4.4Å; L774-I778 HydrophobicContact CD2-CG2 4.18Å; T775-I778 PolarHBondContact O-N 2.99Å; T775-I778 WeakPolarHBondContact OG1-CB 3.26Å; T775-I778 WeakPolarHBondContact OG1-CD1 3.04Å; T775-I778 WeakPolarHBondContact OG1-CG1 3.44Å; P776-I778 PolarHBondContact O-N 3.14Å; I778-I780 VanDerWaalsContact C-N 3.31Å; I778-I780 PolarHBondContact O-N 3.1Å; I778-K781 PolarHBondContact O-N 3.01Å; I778-L782 HydrophobicContact CG2-CD1 4.12Å; I778-L782 WeakPolarHBondContact O-CG 3.08Å; I778-L782 PolarHBondContact O-N 3.16Å |
| 779 | A | 68.2 | Low | 65.3 | Low | 34 Ų | 34 | 73 Ų | 73 | 28% | 0.281 | 43% | 0.427 | S | S | . | . | H | α-helix | trans | -62.1 | -39.8 | 177.4 | 0 | 0 | 0 | 0 | 0 | 111.6 | L774 T775 P776 A783 | L774-A779 HydrophobicContact CB-CB 4.33Å; T775-A779 PolarHBondContact O-N 2.79Å; P776-A779 PolarHBondContact O-N 3.32Å; A779-A783 VanDerWaalsContact O-CB 3.26Å; A779-A783 WeakPolarHBondContact O-CB 3.38Å; A779-A783 PolarHBondContact O-N 3.09Å |
| 780 | I | 62.9 | Low | 65 | Low | 106 Ų | 106 | 69 Ų | 69 | 54% | 0.544 | 40% | 0.402 | S | S | . | . | H | α-helix | trans | -65.6 | -47.7 | 174.1 | -69.9 | 164.3 | 0 | 0 | 0 | 110.3 | P776 D777 I778 L782 A783 S784 | P776-I780 WeakPolarHBondContact O-CB 3.29Å; P776-I780 WeakPolarHBondContact O-CG1 3.48Å; P776-I780 PolarHBondContact O-N 3.43Å; D777-I780 PolarHBondContact O-N 3.46Å; I778-I780 VanDerWaalsContact C-N 3.31Å; I778-I780 PolarHBondContact O-N 3.1Å; I780-L782 VanDerWaalsContact C-N 3.35Å; I780-L782 PolarHBondContact O-N 2.93Å; I780-A783 CarbonylContact O-C 3.51Å; I780-A783 PolarHBondContact O-N 2.93Å; I780-A783 VanDerWaalsContact O-N 3.12Å; I780-S784 VanDerWaalsContact O-CB 3.23Å; I780-S784 WeakPolarHBondContact O-CB 3.46Å; I780-S784 PolarHBondContact O-N 3.26Å; I780-S784 PolarHBondContact O-OG 3.03Å |
| 781 | K | 62.2 | Low | 65.1 | Low | 79 Ų | 79 | 70.3 Ų | 70.3 | 34% | 0.343 | 40% | 0.402 | S | S | . | . | H | α-helix | trans | -55.7 | -47.8 | 177.6 | -77.4 | 173.3 | -179.4 | 176.7 | 0 | 111.6 | D734 P736 D777 I778 S784 G785 | D734-K781 IonicContact OD1-NZ 2.69Å; D734-K781 PolarHBondContact OD1-NZ 2.8Å; D734-K781 IonicContact OD2-NZ 2.73Å; D734-K781 PolarHBondContact OD2-NZ 3.07Å; P736-K781 HydrophobicContact CG-CB 4.34Å; D777-K781 WeakPolarHBondContact O-CB 3.32Å; D777-K781 VanDerWaalsContact O-CG 3.29Å; D777-K781 WeakPolarHBondContact O-CG 3.48Å; D777-K781 PolarHBondContact O-N 3.28Å; I778-K781 PolarHBondContact O-N 3.01Å; K781-S784 WeakPolarHBondContact CA-OG 3.42Å; K781-S784 PolarHBondContact O-N 3.49Å; K781-S784 PolarHBondContact O-OG 2.82Å; K781-G785 PolarHBondContact O-N 3.19Å; K781-G785 VanDerWaalsContact O-N 3.13Å |
| 782 | L | 63.6 | Low | 65.4 | Low | 40 Ų | 40 | 77.8 Ų | 77.8 | 21% | 0.209 | 43% | 0.427 | C | S | . | . | H | α-helix | trans | -62.1 | -42.2 | 174.7 | -76.5 | 168.3 | 0 | 0 | 0 | 112.8 | P736 V739 E740 L743 L774 I778 I780 S784 G785 | P736-L782 HydrophobicContact CB-CD2 4.33Å; V739-L782 HydrophobicContact CB-CD1 4.42Å; V739-L782 HydrophobicContact CB-CD2 4.42Å; V739-L782 HydrophobicContact CG1-CD1 3.69Å; V739-L782 HydrophobicContact CG1-CD2 4.49Å; V739-L782 HydrophobicContact CG1-CG 4.4Å; E740-L782 HydrophobicContact CG-CD2 3.68Å; L743-L782 HydrophobicContact CD1-CD1 4.46Å; L774-L782 HydrophobicContact CD1-CD1 3.71Å; I778-L782 HydrophobicContact CG2-CD1 4.12Å; I778-L782 WeakPolarHBondContact O-CG 3.08Å; I778-L782 PolarHBondContact O-N 3.16Å; I780-L782 VanDerWaalsContact C-N 3.35Å; I780-L782 PolarHBondContact O-N 2.93Å; L782-S784 VanDerWaalsContact C-N 3.34Å; L782-G785 PolarHBondContact O-N 2.69Å |
| 783 | A | 56.3 | Low | 65.6 | Low | 79 Ų | 79 | 79.6 Ų | 79.6 | 65% | 0.653 | 42% | 0.424 | S | S | * | . | H | α-helix | trans | -69.1 | -33.3 | 178.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | A779 I780 | A779-A783 VanDerWaalsContact O-CB 3.26Å; A779-A783 WeakPolarHBondContact O-CB 3.38Å; A779-A783 PolarHBondContact O-N 3.09Å; I780-A783 CarbonylContact O-C 3.51Å; I780-A783 PolarHBondContact O-N 2.93Å; I780-A783 VanDerWaalsContact O-N 3.12Å |
| 784 | S | 48.7 | Very low | 65.8 | Low | 76 Ų | 76 | 77.9 Ų | 77.9 | 53% | 0.531 | 42% | 0.418 | S | S | . | . | H | α-helix | trans | -81.3 | -11.5 | -179.6 | 66.4 | 0 | 0 | 0 | 0 | 114 | I780 K781 L782 R786 | I780-S784 VanDerWaalsContact O-CB 3.23Å; I780-S784 WeakPolarHBondContact O-CB 3.46Å; I780-S784 PolarHBondContact O-N 3.26Å; I780-S784 PolarHBondContact O-OG 3.03Å; K781-S784 WeakPolarHBondContact CA-OG 3.42Å; K781-S784 PolarHBondContact O-N 3.49Å; K781-S784 PolarHBondContact O-OG 2.82Å; L782-S784 VanDerWaalsContact C-N 3.34Å; S784-R786 PolarHBondContact O-N 3.21Å |
| 785 | G | 46 | Very low | 66.2 | Low | 62 Ų | 62 | 79.9 Ų | 79.9 | 64% | 0.639 | 42% | 0.422 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.5 | 24.1 | 177.9 | 0 | 0 | 0 | 0 | 0 | 115.9 | K781 L782 | K781-G785 PolarHBondContact O-N 3.19Å; K781-G785 VanDerWaalsContact O-N 3.13Å; L782-G785 PolarHBondContact O-N 2.69Å |
| 786 | R | 41.4 | Very low | 67.1 | Low | 235 Ų | 235 | 82.3 Ų | 82.3 | 89% | 0.887 | 43% | 0.433 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -132 | 12.9 | -176.6 | -74.1 | -170.3 | 175.2 | -178.5 | 0.2 | 115.8 | S784 | S784-R786 PolarHBondContact O-N 3.21Š|
| 787 | Q | 43.8 | Very low | 68.3 | Low | 178 Ų | 178 | 78.6 Ų | 78.6 | 83% | 0.832 | 41% | 0.409 | S | S | * | . | trans | -127.5 | 114.3 | 168.1 | -80 | -174.2 | -10.4 | 0 | 0 | 111.4 | P789 | Q787-P789 VanDerWaalsContact O-CD 3.29Å; Q787-P789 WeakPolarHBondContact O-CD 3.23Å | ||
| 788 | D | 57 | Low | 69.6 | Low | 69 Ų | 69 | 73.5 Ų | 73.5 | 37% | 0.369 | 38% | 0.382 | S | S | . | . | trans | -60.2 | 115 | 164.2 | -177.4 | -5.9 | 0 | 0 | 0 | 108.2 | L790 R795 W848 | D788-L790 PolarHBondContact O-N 3.49Å; D788-L790 WeakPolarHBondContact OD1-CB 3.45Å; D788-L790 PolarHBondContact OD1-N 2.98Å; D788-R795 IonicContact OD2-CZ 3.12Å; D788-R795 IonicContact OD2-NE 2.78Å; D788-R795 PolarHBondContact OD2-NE 2.78Å; D788-R795 IonicContact OD2-NH2 2.69Å; D788-R795 PolarHBondContact OD2-NH2 2.85Å; D788-W848 WeakPolarHBondContact OD1-CZ3 3.41Å | ||
| 789 | P | 64.2 | Low | 70.5 | Confident | 67 Ų | 67 | 77.4 Ų | 77.4 | 44% | 0.435 | 40% | 0.4 | S | S | . | . | S | Bend | trans | -68.4 | -15 | -179.2 | 28.8 | -34.5 | 0 | 0 | 0 | 112.1 | Q787 K831 L832 | Q787-P789 VanDerWaalsContact O-CD 3.29Å; Q787-P789 WeakPolarHBondContact O-CD 3.23Å; P789-K831 WeakPolarHBondContact O-CD 3.18Å; P789-K831 PolarHBondContact O-NZ 3.23Å; P789-K831 VanDerWaalsContact O-NZ 3.07Å; P789-L832 HydrophobicContact CG-CD2 4.43Å |
| 790 | L | 74.7 | Confident | 71.6 | Confident | 10 Ų | 10 | 77.2 Ų | 77.2 | 5% | 0.052 | 39% | 0.393 | C | S | . | . | S | Bend | trans | -91.4 | 134 | -180 | -56.8 | -171.1 | 0 | 0 | 0 | 111.1 | D788 E794 A798 L828 K831 L832 W848 | D788-L790 PolarHBondContact O-N 3.49Å; D788-L790 WeakPolarHBondContact OD1-CB 3.45Å; D788-L790 PolarHBondContact OD1-N 2.98Å; L790-E794 HydrophobicContact CB-CB 4.01Å; L790-E794 HydrophobicContact CD2-CB 4.2Å; L790-A798 HydrophobicContact CD1-CB 4.49Å; L790-L828 HydrophobicContact CD1-CD1 3.59Å; L790-L828 HydrophobicContact CD2-CD1 3.93Å; L790-L828 HydrophobicContact CG-CD1 4.46Å; L790-K831 HydrophobicContact CD2-CB 4.35Å; L790-K831 HydrophobicContact CD2-CD 4.1Å; L790-L832 HydrophobicContact CD1-CD1 4.21Å; L790-L832 HydrophobicContact CD2-CD1 4.43Å; L790-L832 HydrophobicContact CD2-CG 4.29Å; L790-W848 HydrophobicContact CB-CH2 4.09Å; L790-W848 HydrophobicContact CB-CZ3 4.17Å; L790-W848 HydrophobicContact CD1-CH2 3.3Å; L790-W848 HydrophobicContact CD1-CZ2 4.38Å; L790-W848 HydrophobicContact CD1-CZ3 3.48Å; L790-W848 VanDerWaalsContact CD1-CZ3 3.48Å; L790-W848 HydrophobicContact CG-CH2 3.85Å; L790-W848 HydrophobicContact CG-CZ3 3.66Å |
| 791 | T | 82.2 | Confident | 72.9 | Confident | 66 Ų | 66 | 72.9 Ų | 72.9 | 41% | 0.405 | 37% | 0.371 | S | S | . | . | trans | -62.7 | 156.9 | 163.9 | 62.7 | 0 | 0 | 0 | 0 | 109.8 | R793 E794 R795 | T791-R793 PolarHBondContact O-N 3.46Å; T791-E794 WeakPolarHBondContact CB-OE2 3.45Å; T791-E794 WeakPolarHBondContact CG2-OE2 3.5Å; T791-E794 PolarHBondContact N-OE2 3Å; T791-E794 PolarHBondContact O-N 2.96Å; T791-E794 WeakPolarHBondContact OG1-CB 3.26Å; T791-E794 VanDerWaalsContact OG1-CG 3.24Å; T791-E794 WeakPolarHBondContact OG1-CG 3.29Å; T791-E794 PolarHBondContact OG1-N 3.07Å; T791-E794 PolarHBondContact OG1-OE2 3.22Å; T791-R795 PolarHBondContact O-N 3.25Å | ||
| 792 | K | 82.3 | Confident | 74 | Confident | 182 Ų | 182 | 71.1 Ų | 71.1 | 79% | 0.791 | 37% | 0.371 | S | S | * | . | H | α-helix | trans | -51.4 | -29.5 | 175.8 | -148.1 | 178.2 | -171.4 | 179.1 | 0 | 113.1 | Q796 | K792-Q796 WeakPolarHBondContact O-CG 3.27Å; K792-Q796 PolarHBondContact O-N 3.07Å |
| 793 | R | 86.3 | Confident | 75.1 | Confident | 108 Ų | 108 | 75.2 Ų | 75.2 | 41% | 0.408 | 39% | 0.389 | S | S | . | . | H | α-helix | trans | -82.4 | -40.5 | 178.6 | -126.7 | 61.9 | 177.2 | 160.7 | -6.7 | 113.3 | T791 R795 Q796 V797 | T791-R793 PolarHBondContact O-N 3.46Å; R793-R795 VanDerWaalsContact C-N 3.28Å; R793-R795 PolarHBondContact O-N 3.29Å; R793-Q796 PolarHBondContact O-N 3.2Å; R793-V797 WeakPolarHBondContact O-CG2 3.5Å; R793-V797 PolarHBondContact O-N 3.03Å |
| 794 | E | 90.6 | Very high | 76.6 | Confident | 5 Ų | 5 | 74.6 Ų | 74.6 | 2% | 0.023 | 39% | 0.391 | C | S | . | . | H | α-helix | trans | -61.7 | -39.8 | 173 | -72.6 | 159 | 164.9 | 0 | 0 | 110.9 | L790 T791 Q796 V797 A798 H824 N827 K831 | L790-E794 HydrophobicContact CB-CB 4.01Å; L790-E794 HydrophobicContact CD2-CB 4.2Å; T791-E794 WeakPolarHBondContact CB-OE2 3.45Å; T791-E794 WeakPolarHBondContact CG2-OE2 3.5Å; T791-E794 PolarHBondContact N-OE2 3Å; T791-E794 PolarHBondContact O-N 2.96Å; T791-E794 WeakPolarHBondContact OG1-CB 3.26Å; T791-E794 VanDerWaalsContact OG1-CG 3.24Å; T791-E794 WeakPolarHBondContact OG1-CG 3.29Å; T791-E794 PolarHBondContact OG1-N 3.07Å; T791-E794 PolarHBondContact OG1-OE2 3.22Å; E794-Q796 PolarHBondContact O-N 3.35Å; E794-V797 PolarHBondContact O-N 3.14Å; E794-A798 WeakPolarHBondContact O-CB 3.47Å; E794-A798 PolarHBondContact O-N 2.83Å; E794-H824 HydrophobicContact CG-CB 4.3Å; E794-N827 VanDerWaalsContact OE1-CB 3.32Å; E794-N827 WeakPolarHBondContact OE1-CB 3.36Å; E794-K831 VanDerWaalsContact CD-NZ 3.3Å; E794-K831 IonicContact OE1-NZ 2.82Å; E794-K831 PolarHBondContact OE1-NZ 3.49Å; E794-K831 VanDerWaalsContact OE1-NZ 3.09Å; E794-K831 IonicContact OE2-NZ 3.53Å; E794-K831 PolarHBondContact OE2-NZ 3.39Å |
| 795 | R | 87.7 | Confident | 78.6 | Confident | 86 Ų | 86 | 73.1 Ų | 73.1 | 33% | 0.325 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -60.3 | -45.1 | 175.9 | -171.8 | 179.1 | -94.4 | -112.8 | 0.1 | 112.7 | D788 T791 R793 V797 A798 E799 W848 | D788-R795 IonicContact OD2-CZ 3.12Å; D788-R795 IonicContact OD2-NE 2.78Å; D788-R795 PolarHBondContact OD2-NE 2.78Å; D788-R795 IonicContact OD2-NH2 2.69Å; D788-R795 PolarHBondContact OD2-NH2 2.85Å; T791-R795 PolarHBondContact O-N 3.25Å; R793-R795 VanDerWaalsContact C-N 3.28Å; R793-R795 PolarHBondContact O-N 3.29Å; R795-V797 VanDerWaalsContact C-N 3.34Å; R795-V797 PolarHBondContact O-N 3.18Å; R795-A798 WeakPolarHBondContact O-CB 3.45Å; R795-A798 PolarHBondContact O-N 2.97Å; R795-E799 PolarHBondContact O-N 2.97Å; R795-W848 HydrophobicContact CG-CH2 4.09Å; R795-W848 HydrophobicContact CG-CZ2 3.97Å |
| 796 | Q | 90.8 | Very high | 80.8 | Confident | 59 Ų | 59 | 72.7 Ų | 72.7 | 28% | 0.276 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -63.6 | -38.6 | 175.8 | -73.3 | 178.3 | -37.9 | 0 | 0 | 112.6 | K792 R793 E794 K800 L814 | K792-Q796 WeakPolarHBondContact O-CG 3.27Å; K792-Q796 PolarHBondContact O-N 3.07Å; R793-Q796 PolarHBondContact O-N 3.2Å; E794-Q796 PolarHBondContact O-N 3.35Å; Q796-K800 WeakPolarHBondContact O-CG 3.26Å; Q796-K800 PolarHBondContact O-N 3.49Å; Q796-L814 HydrophobicContact CB-CD1 4.09Å; Q796-L814 HydrophobicContact CB-CD2 4.13Å |
| 797 | V | 92.7 | Very high | 83.2 | Confident | 0 Ų | 0 | 63 Ų | 63 | 0% | 0 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -67 | -40.6 | 175.2 | 171.8 | 0 | 0 | 0 | 0 | 110.7 | R793 E794 R795 K800 L801 I810 L814 V821 H824 | R793-V797 WeakPolarHBondContact O-CG2 3.5Å; R793-V797 PolarHBondContact O-N 3.03Å; E794-V797 PolarHBondContact O-N 3.14Å; R795-V797 VanDerWaalsContact C-N 3.34Å; R795-V797 PolarHBondContact O-N 3.18Å; V797-K800 PolarHBondContact O-N 2.89Å; V797-L801 HydrophobicContact CG1-CD1 3.8Å; V797-L801 HydrophobicContact CG1-CG 4.31Å; V797-L801 WeakPolarHBondContact O-CB 3.18Å; V797-L801 VanDerWaalsContact O-CG 3.3Å; V797-L801 WeakPolarHBondContact O-CG 3.42Å; V797-L801 PolarHBondContact O-N 3.28Å; V797-I810 HydrophobicContact CG2-CG2 4.48Å; V797-L814 HydrophobicContact CG2-CD1 3.91Å; V797-V821 HydrophobicContact CG1-CG1 4.17Å; V797-H824 HydrophobicContact CB-CB 4.26Å; V797-H824 HydrophobicContact CG1-CB 4.3Å; V797-H824 HydrophobicContact CG2-CB 3.9Å |
| 798 | A | 89.3 | Confident | 85.4 | Confident | 1 Ų | 1 | 62.8 Ų | 62.8 | 1% | 0.008 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -60.8 | -48.4 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | L790 E794 R795 K800 L801 A802 L828 M844 | L790-A798 HydrophobicContact CD1-CB 4.49Å; E794-A798 WeakPolarHBondContact O-CB 3.47Å; E794-A798 PolarHBondContact O-N 2.83Å; R795-A798 WeakPolarHBondContact O-CB 3.45Å; R795-A798 PolarHBondContact O-N 2.97Å; A798-K800 VanDerWaalsContact C-N 3.26Å; A798-K800 PolarHBondContact O-N 3.42Å; A798-L801 PolarHBondContact O-N 3.44Å; A798-A802 WeakPolarHBondContact O-CB 3.47Å; A798-A802 PolarHBondContact O-N 3.47Å; A798-L828 HydrophobicContact CB-CD1 3.75Å; A798-L828 HydrophobicContact CB-CD2 4.3Å; A798-M844 VanDerWaalsContact C-SD 3.53Å; A798-M844 HydrophobicContact CB-SD 3.78Å; A798-M844 VanDerWaalsContact O-SD 3.41Å |
| 799 | E | 89.2 | Confident | 87.2 | Confident | 83 Ų | 83 | 64.7 Ų | 64.7 | 39% | 0.388 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -56.3 | -41 | 177.5 | -77.6 | 173.3 | 179 | 0 | 0 | 112.2 | R795 Q803 M844 | R795-E799 PolarHBondContact O-N 2.97Å; E799-Q803 VanDerWaalsContact O-CG 3.26Å; E799-Q803 WeakPolarHBondContact O-CG 3.43Å; E799-Q803 PolarHBondContact O-N 3.3Å; E799-Q803 VanDerWaalsContact O-N 3.16Å; E799-M844 HydrophobicContact CB-CE 4.42Å; E799-M844 HydrophobicContact CG-CE 3.78Å |
| 800 | K | 91.8 | Very high | 88.7 | Confident | 31 Ų | 31 | 61.5 Ų | 61.5 | 14% | 0.135 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -76.2 | -35.9 | -178.5 | -61.2 | -76.3 | 167.5 | -175.8 | 0 | 112.8 | Q796 V797 A798 Q803 M805 I810 E813 | Q796-K800 WeakPolarHBondContact O-CG 3.26Å; Q796-K800 PolarHBondContact O-N 3.49Å; V797-K800 PolarHBondContact O-N 2.89Å; A798-K800 VanDerWaalsContact C-N 3.26Å; A798-K800 PolarHBondContact O-N 3.42Å; K800-Q803 PolarHBondContact O-N 3Å; K800-M805 HydrophobicContact CB-SD 4.27Å; K800-M805 HydrophobicContact CD-CE 4.43Å; K800-M805 HydrophobicContact CD-SD 3.41Å; K800-M805 WeakPolarHBondContact CD-SD 3.49Å; K800-M805 HydrophobicContact CG-SD 4.45Å; K800-M805 WeakPolarHBondContact O-CB 3.34Å; K800-M805 PolarHBondContact O-N 3.42Å; K800-I810 HydrophobicContact CB-CD1 4.03Å; K800-I810 HydrophobicContact CB-CG1 3.75Å; K800-I810 HydrophobicContact CB-CG2 4.24Å; K800-E813 WeakPolarHBondContact CD-OE2 3.43Å; K800-E813 WeakPolarHBondContact CE-OE1 3.25Å; K800-E813 VanDerWaalsContact CE-OE2 3.23Å; K800-E813 WeakPolarHBondContact CE-OE2 3.24Å; K800-E813 IonicContact NZ-OE1 2.64Å; K800-E813 PolarHBondContact NZ-OE1 3.41Å; K800-E813 IonicContact NZ-OE2 2.78Å; K800-E813 PolarHBondContact NZ-OE2 3.25Å |
| 801 | L | 90.5 | Very high | 89.6 | Confident | 15 Ų | 15 | 61.3 Ų | 61.3 | 8% | 0.079 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -63.5 | -42.4 | 171.5 | -73.4 | 169.2 | 0 | 0 | 0 | 111.2 | V797 A798 Q803 G804 I810 R825 L828 L840 | V797-L801 HydrophobicContact CG1-CD1 3.8Å; V797-L801 HydrophobicContact CG1-CG 4.31Å; V797-L801 WeakPolarHBondContact O-CB 3.18Å; V797-L801 VanDerWaalsContact O-CG 3.3Å; V797-L801 WeakPolarHBondContact O-CG 3.42Å; V797-L801 PolarHBondContact O-N 3.28Å; A798-L801 PolarHBondContact O-N 3.44Å; L801-Q803 PolarHBondContact O-N 2.97Å; L801-G804 PolarHBondContact O-N 3.28Å; L801-I810 HydrophobicContact CD2-CD1 3.74Å; L801-I810 HydrophobicContact CG-CD1 3.95Å; L801-R825 HydrophobicContact CD1-CB 4.28Å; L801-R825 HydrophobicContact CD1-CG 3.91Å; L801-L828 HydrophobicContact CD1-CD2 3.88Å; L801-L840 HydrophobicContact CB-CD2 3.87Å; L801-L840 HydrophobicContact CD1-CD2 3.85Å |
| 802 | A | 85.2 | Confident | 90.1 | Very high | 41 Ų | 41 | 62.1 Ų | 62.1 | 34% | 0.339 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -66.3 | -24.9 | 176.7 | 0 | 0 | 0 | 0 | 0 | 113.3 | A798 G804 A841 M844 | A798-A802 WeakPolarHBondContact O-CB 3.47Å; A798-A802 PolarHBondContact O-N 3.47Å; A802-G804 PolarHBondContact O-N 3.48Å; A802-A841 HydrophobicContact CB-CB 4.25Å; A802-M844 HydrophobicContact CB-SD 3.69Å |
| 803 | Q | 86.2 | Confident | 90.6 | Very high | 126 Ų | 126 | 58.6 Ų | 58.6 | 59% | 0.589 | 32% | 0.315 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78.7 | -1.2 | 171.5 | -71.9 | 167.4 | 12.5 | 0 | 0 | 113.4 | E799 K800 L801 M805 | E799-Q803 VanDerWaalsContact O-CG 3.26Å; E799-Q803 WeakPolarHBondContact O-CG 3.43Å; E799-Q803 PolarHBondContact O-N 3.3Å; E799-Q803 VanDerWaalsContact O-N 3.16Å; K800-Q803 PolarHBondContact O-N 3Å; L801-Q803 PolarHBondContact O-N 2.97Å; Q803-M805 HydrophobicContact CB-CG 4.46Å |
| 804 | G | 87.4 | Confident | 90.9 | Very high | 67 Ų | 67 | 54.7 Ų | 54.7 | 69% | 0.691 | 30% | 0.302 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 77.4 | 16.3 | 179.9 | 0 | 0 | 0 | 0 | 0 | 114.5 | L801 A802 | L801-G804 PolarHBondContact O-N 3.28Å; A802-G804 PolarHBondContact O-N 3.48Å |
| 805 | M | 91.8 | Very high | 91 | Very high | 44 Ų | 44 | 57.8 Ų | 57.8 | 22% | 0.217 | 34% | 0.335 | C | S | . | . | trans | -73.1 | 140.4 | 178.4 | -67.5 | -175.6 | 63.2 | 0 | 0 | 112 | K800 Q803 E809 I810 E813 | K800-M805 HydrophobicContact CB-SD 4.27Å; K800-M805 HydrophobicContact CD-CE 4.43Å; K800-M805 HydrophobicContact CD-SD 3.41Å; K800-M805 WeakPolarHBondContact CD-SD 3.49Å; K800-M805 HydrophobicContact CG-SD 4.45Å; K800-M805 WeakPolarHBondContact O-CB 3.34Å; K800-M805 PolarHBondContact O-N 3.42Å; Q803-M805 HydrophobicContact CB-CG 4.46Å; M805-E809 HydrophobicContact CE-CB 3.61Å; M805-I810 HydrophobicContact CB-CD1 4.28Å; M805-I810 HydrophobicContact CB-CG1 3.81Å; M805-I810 WeakPolarHBondContact O-CD1 3.47Å; M805-E813 WeakPolarHBondContact CE-OE2 3.41Å | ||
| 806 | A | 92.5 | Very high | 91.2 | Very high | 54 Ų | 54 | 55.4 Ų | 55.4 | 45% | 0.446 | 33% | 0.329 | S | S | . | . | trans | -72.2 | 149.3 | 174.4 | 0 | 0 | 0 | 0 | 0 | 111.3 | K808 E809 I810 | A806-K808 PolarHBondContact O-N 3.01Å; A806-E809 HydrophobicContact CB-CG 4.24Å; A806-E809 WeakPolarHBondContact CB-OE2 3.42Å; A806-E809 PolarHBondContact N-OE2 3.4Å; A806-E809 WeakPolarHBondContact O-CA 3.3Å; A806-E809 WeakPolarHBondContact O-CB 3.44Å; A806-E809 PolarHBondContact O-N 3.1Å; A806-I810 WeakPolarHBondContact O-CG1 3.49Å; A806-I810 PolarHBondContact O-N 3.18Å | ||
| 807 | V | 91.3 | Very high | 91.2 | Very high | 32 Ų | 32 | 55.1 Ų | 55.1 | 19% | 0.194 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -50.8 | -36.5 | -179.4 | 173.2 | 0 | 0 | 0 | 0 | 113.4 | A811 P818 V821 | V807-A811 VanDerWaalsContact O-CB 3.3Å; V807-A811 WeakPolarHBondContact O-CB 3.5Å; V807-A811 PolarHBondContact O-N 3.17Å; V807-P818 HydrophobicContact CG1-CB 4.44Å; V807-V821 HydrophobicContact CG1-CB 3.99Å; V807-V821 HydrophobicContact CG1-CG1 3.88Å |
| 808 | K | 90.5 | Very high | 91.2 | Very high | 173 Ų | 173 | 58.1 Ų | 58.1 | 75% | 0.752 | 35% | 0.353 | S | S | * | . | H | α-helix | trans | -68 | -34.4 | 177.1 | -72.8 | -176 | 178.1 | 178.9 | 0 | 112.9 | A806 A812 | A806-K808 PolarHBondContact O-N 3.01Å; K808-A812 PolarHBondContact O-N 3.07Å |
| 809 | E | 93.6 | Very high | 91.4 | Very high | 108 Ų | 108 | 66 Ų | 66 | 51% | 0.505 | 39% | 0.387 | S | S | . | . | H | α-helix | trans | -74.4 | -42.2 | 177.7 | -58.3 | 172.2 | 134.6 | 0 | 0 | 110.2 | M805 A806 A811 A812 E813 | M805-E809 HydrophobicContact CE-CB 3.61Å; A806-E809 HydrophobicContact CB-CG 4.24Å; A806-E809 WeakPolarHBondContact CB-OE2 3.42Å; A806-E809 PolarHBondContact N-OE2 3.4Å; A806-E809 WeakPolarHBondContact O-CA 3.3Å; A806-E809 WeakPolarHBondContact O-CB 3.44Å; A806-E809 PolarHBondContact O-N 3.1Å; E809-A811 VanDerWaalsContact C-N 3.31Å; E809-A811 PolarHBondContact O-N 3.37Å; E809-A812 PolarHBondContact O-N 3.34Å; E809-E813 PolarHBondContact O-N 3.39Å |
| 810 | I | 95.1 | Very high | 91.5 | Very high | 0 Ų | 0 | 64.4 Ų | 64.4 | 0% | 0 | 38% | 0.383 | C | S | . | . | H | α-helix | trans | -58.8 | -44.3 | 174.1 | -59.8 | 171 | 0 | 0 | 0 | 110.8 | V797 K800 L801 M805 A806 A812 E813 L814 V821 | V797-I810 HydrophobicContact CG2-CG2 4.48Å; K800-I810 HydrophobicContact CB-CD1 4.03Å; K800-I810 HydrophobicContact CB-CG1 3.75Å; K800-I810 HydrophobicContact CB-CG2 4.24Å; L801-I810 HydrophobicContact CD2-CD1 3.74Å; L801-I810 HydrophobicContact CG-CD1 3.95Å; M805-I810 HydrophobicContact CB-CD1 4.28Å; M805-I810 HydrophobicContact CB-CG1 3.81Å; M805-I810 WeakPolarHBondContact O-CD1 3.47Å; A806-I810 WeakPolarHBondContact O-CG1 3.49Å; A806-I810 PolarHBondContact O-N 3.18Å; I810-A812 PolarHBondContact O-N 3.48Å; I810-E813 PolarHBondContact O-N 3.12Å; I810-L814 HydrophobicContact CG2-CD1 3.62Å; I810-L814 HydrophobicContact CG2-CG 4.24Å; I810-L814 WeakPolarHBondContact O-CB 3.39Å; I810-L814 WeakPolarHBondContact O-CG 3.2Å; I810-L814 PolarHBondContact O-N 3.01Å; I810-V821 HydrophobicContact CB-CG1 4.14Å; I810-V821 HydrophobicContact CB-CG2 4.47Å; I810-V821 HydrophobicContact CD1-CG1 4.48Å; I810-V821 HydrophobicContact CG2-CG1 3.8Å; I810-V821 HydrophobicContact CG2-CG2 3.99Å |
| 811 | A | 94.3 | Very high | 91.6 | Very high | 6 Ų | 6 | 63 Ų | 63 | 5% | 0.05 | 38% | 0.377 | C | S | . | . | H | α-helix | trans | -59.7 | -45.4 | 177.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | V807 E809 G815 L816 P818 V821 | V807-A811 VanDerWaalsContact O-CB 3.3Å; V807-A811 WeakPolarHBondContact O-CB 3.5Å; V807-A811 PolarHBondContact O-N 3.17Å; E809-A811 VanDerWaalsContact C-N 3.31Å; E809-A811 PolarHBondContact O-N 3.37Å; A811-G815 PolarHBondContact O-N 3.35Å; A811-L816 CarbonylContact C-O 3.53Å; A811-L816 WeakPolarHBondContact CA-O 3.46Å; A811-L816 WeakPolarHBondContact CB-O 3.45Å; A811-L816 PolarHBondContact O-N 3.33Å; A811-P818 HydrophobicContact CB-CG 4.06Å; A811-V821 HydrophobicContact CB-CG2 4Å |
| 812 | A | 92.8 | Very high | 91.7 | Very high | 83 Ų | 83 | 66.9 Ų | 66.9 | 69% | 0.686 | 39% | 0.394 | S | S | * | . | H | α-helix | trans | -65.4 | -42.6 | 178 | 0 | 0 | 0 | 0 | 0 | 112.6 | K808 E809 I810 | K808-A812 PolarHBondContact O-N 3.07Å; E809-A812 PolarHBondContact O-N 3.34Å; I810-A812 PolarHBondContact O-N 3.48Å |
| 813 | E | 93.2 | Very high | 92 | Very high | 109 Ų | 109 | 68.5 Ų | 68.5 | 51% | 0.509 | 40% | 0.4 | S | S | . | . | H | α-helix | trans | -74 | -38.2 | -177 | -165.7 | -179.5 | 172.9 | 0 | 0 | 112.9 | K800 M805 E809 I810 | K800-E813 WeakPolarHBondContact CD-OE2 3.43Å; K800-E813 WeakPolarHBondContact CE-OE1 3.25Å; K800-E813 VanDerWaalsContact CE-OE2 3.23Å; K800-E813 WeakPolarHBondContact CE-OE2 3.24Å; K800-E813 IonicContact NZ-OE1 2.64Å; K800-E813 PolarHBondContact NZ-OE1 3.41Å; K800-E813 IonicContact NZ-OE2 2.78Å; K800-E813 PolarHBondContact NZ-OE2 3.25Å; M805-E813 WeakPolarHBondContact CE-OE2 3.41Å; E809-E813 PolarHBondContact O-N 3.39Å; I810-E813 PolarHBondContact O-N 3.12Å |
| 814 | L | 92.9 | Very high | 92.3 | Very high | 26 Ų | 26 | 64.1 Ų | 64.1 | 14% | 0.136 | 38% | 0.379 | C | S | . | . | H | α-helix | trans | -88.7 | -0.7 | -177.9 | -62 | -178.6 | 0 | 0 | 0 | 113.9 | Q796 V797 I810 L816 | Q796-L814 HydrophobicContact CB-CD1 4.09Å; Q796-L814 HydrophobicContact CB-CD2 4.13Å; V797-L814 HydrophobicContact CG2-CD1 3.91Å; I810-L814 HydrophobicContact CG2-CD1 3.62Å; I810-L814 HydrophobicContact CG2-CG 4.24Å; I810-L814 WeakPolarHBondContact O-CB 3.39Å; I810-L814 WeakPolarHBondContact O-CG 3.2Å; I810-L814 PolarHBondContact O-N 3.01Å; L814-L816 VanDerWaalsContact C-N 3.32Å; L814-L816 HydrophobicContact CB-CD1 3.81Å; L814-L816 HydrophobicContact CB-CG 3.89Å; L814-L816 HydrophobicContact CD1-CD1 4.14Å |
| 815 | G | 91.8 | Very high | 92.5 | Very high | 70 Ų | 70 | 64.5 Ų | 64.5 | 72% | 0.722 | 36% | 0.36 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 63.5 | 37 | -175.5 | 0 | 0 | 0 | 0 | 0 | 112.8 | A811 | A811-G815 PolarHBondContact O-N 3.35Š|
| 816 | L | 91.9 | Very high | 92.4 | Very high | 36 Ų | 36 | 65.1 Ų | 65.1 | 19% | 0.188 | 37% | 0.372 | C | S | . | . | trans | -114.7 | 158.6 | -176.7 | -62.9 | 177.1 | 0 | 0 | 0 | 110.6 | A811 L814 T820 V821 | A811-L816 CarbonylContact C-O 3.53Å; A811-L816 WeakPolarHBondContact CA-O 3.46Å; A811-L816 WeakPolarHBondContact CB-O 3.45Å; A811-L816 PolarHBondContact O-N 3.33Å; L814-L816 VanDerWaalsContact C-N 3.32Å; L814-L816 HydrophobicContact CB-CD1 3.81Å; L814-L816 HydrophobicContact CB-CG 3.89Å; L814-L816 HydrophobicContact CD1-CD1 4.14Å; L816-T820 HydrophobicContact CD2-CG2 4.04Å; L816-V821 HydrophobicContact CB-CG2 4.03Å; L816-V821 HydrophobicContact CD1-CG2 4.2Å | ||
| 817 | S | 92.2 | Very high | 92.2 | Very high | 53 Ų | 53 | 65.3 Ų | 65.3 | 37% | 0.371 | 37% | 0.366 | S | S | . | . | trans | -75.5 | 150.9 | 166.7 | 82.5 | 0 | 0 | 0 | 0 | 110.4 | K819 T820 V821 | S817-K819 PolarHBondContact O-N 2.91Å; S817-K819 VanDerWaalsContact O-N 3.12Å; S817-K819 PolarHBondContact OG-N 2.99Å; S817-T820 WeakPolarHBondContact O-CB 3.3Å; S817-T820 PolarHBondContact O-N 3.34Å; S817-T820 PolarHBondContact OG-N 3.47Å; S817-T820 PolarHBondContact OG-OG1 3.25Å; S817-V821 PolarHBondContact O-N 3.29Å; S817-V821 VanDerWaalsContact O-N 3.14Å | ||
| 818 | P | 92.8 | Very high | 92.1 | Very high | 63 Ų | 63 | 63.8 Ų | 63.8 | 41% | 0.409 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -53.6 | -32.9 | 172.2 | -27.1 | 34.8 | 0 | 0 | 0 | 113.1 | V807 A811 V821 H822 | V807-P818 HydrophobicContact CG1-CB 4.44Å; A811-P818 HydrophobicContact CB-CG 4.06Å; P818-V821 PolarHBondContact O-N 3.01Å; P818-H822 PolarHBondContact O-CD2 2.97Å; P818-H822 VanDerWaalsContact O-CD2 3.27Å; P818-H822 PolarHBondContact O-N 3.37Å; P818-H822 VanDerWaalsContact O-N 3.15Å |
| 819 | K | 92 | Very high | 91.9 | Very high | 167 Ų | 167 | 56.7 Ų | 56.7 | 73% | 0.726 | 33% | 0.326 | S | S | * | . | H | α-helix | trans | -65.6 | -40.7 | 175.4 | -168.3 | 175.2 | -176.6 | 179 | 0 | 112 | S817 H822 V823 | S817-K819 PolarHBondContact O-N 2.91Å; S817-K819 VanDerWaalsContact O-N 3.12Å; S817-K819 PolarHBondContact OG-N 2.99Å; K819-H822 PolarHBondContact O-N 3.3Å; K819-V823 WeakPolarHBondContact O-CG2 3.37Å; K819-V823 PolarHBondContact O-N 3.19Å; K819-V823 VanDerWaalsContact O-N 3.15Å |
| 820 | T | 91.5 | Very high | 91.4 | Very high | 49 Ų | 49 | 59 Ų | 59 | 30% | 0.301 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -66.2 | -39.5 | 177.7 | -49.6 | 0 | 0 | 0 | 0 | 111.7 | L816 S817 H822 V823 H824 | L816-T820 HydrophobicContact CD2-CG2 4.04Å; S817-T820 WeakPolarHBondContact O-CB 3.3Å; S817-T820 PolarHBondContact O-N 3.34Å; S817-T820 PolarHBondContact OG-N 3.47Å; S817-T820 PolarHBondContact OG-OG1 3.25Å; T820-H822 VanDerWaalsContact C-N 3.33Å; T820-H822 PolarHBondContact O-N 3.26Å; T820-V823 PolarHBondContact O-N 2.79Å; T820-H824 PolarHBondContact O-CD2 2.98Å; T820-H824 VanDerWaalsContact O-CD2 3.3Å; T820-H824 PolarHBondContact O-N 2.98Å |
| 821 | V | 94.1 | Very high | 90.9 | Very high | 0 Ų | 0 | 63.5 Ų | 63.5 | 0% | 0 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -62.8 | -40.8 | 175 | 179.3 | 0 | 0 | 0 | 0 | 111 | V797 V807 I810 A811 L816 S817 P818 V823 H824 R825 | V797-V821 HydrophobicContact CG1-CG1 4.17Å; V807-V821 HydrophobicContact CG1-CB 3.99Å; V807-V821 HydrophobicContact CG1-CG1 3.88Å; I810-V821 HydrophobicContact CB-CG1 4.14Å; I810-V821 HydrophobicContact CB-CG2 4.47Å; I810-V821 HydrophobicContact CD1-CG1 4.48Å; I810-V821 HydrophobicContact CG2-CG1 3.8Å; I810-V821 HydrophobicContact CG2-CG2 3.99Å; A811-V821 HydrophobicContact CB-CG2 4Å; L816-V821 HydrophobicContact CB-CG2 4.03Å; L816-V821 HydrophobicContact CD1-CG2 4.2Å; S817-V821 PolarHBondContact O-N 3.29Å; S817-V821 VanDerWaalsContact O-N 3.14Å; P818-V821 PolarHBondContact O-N 3.01Å; V821-V823 PolarHBondContact O-N 3.45Å; V821-H824 PolarHBondContact O-N 3.41Å; V821-R825 WeakPolarHBondContact O-CB 3.48Å; V821-R825 PolarHBondContact O-N 3.02Å |
| 822 | H | 93.3 | Very high | 90.2 | Very high | 98 Ų | 98 | 64.1 Ų | 64.1 | 45% | 0.454 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -61.4 | -40.1 | 174.5 | -83.7 | -58.9 | 0 | 0 | 0 | 113.4 | P818 K819 T820 R825 A826 | P818-H822 PolarHBondContact O-CD2 2.97Å; P818-H822 VanDerWaalsContact O-CD2 3.27Å; P818-H822 PolarHBondContact O-N 3.37Å; P818-H822 VanDerWaalsContact O-N 3.15Å; K819-H822 PolarHBondContact O-N 3.3Å; T820-H822 VanDerWaalsContact C-N 3.33Å; T820-H822 PolarHBondContact O-N 3.26Å; H822-R825 PolarHBondContact O-N 2.84Å; H822-A826 PolarHBondContact O-N 2.94Å |
| 823 | V | 90.7 | Very high | 89.7 | Confident | 75 Ų | 75 | 63 Ų | 63 | 46% | 0.455 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -64.4 | -48.2 | 176.6 | 172.6 | 0 | 0 | 0 | 0 | 110.9 | K819 T820 V821 R825 A826 N827 | K819-V823 WeakPolarHBondContact O-CG2 3.37Å; K819-V823 PolarHBondContact O-N 3.19Å; K819-V823 VanDerWaalsContact O-N 3.15Å; T820-V823 PolarHBondContact O-N 2.79Å; V821-V823 PolarHBondContact O-N 3.45Å; V823-R825 VanDerWaalsContact C-N 3.29Å; V823-R825 PolarHBondContact O-N 3.03Å; V823-A826 PolarHBondContact O-N 3.22Å; V823-N827 PolarHBondContact O-N 2.95Å; V823-N827 PolarHBondContact O-OD1 3.41Å |
| 824 | H | 93 | Very high | 89.3 | Confident | 34 Ų | 34 | 58.2 Ų | 58.2 | 16% | 0.157 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -61 | -39.3 | 176.5 | -72.7 | -49.8 | 0 | 0 | 0 | 112.1 | E794 V797 T820 V821 L828 | E794-H824 HydrophobicContact CG-CB 4.3Å; V797-H824 HydrophobicContact CB-CB 4.26Å; V797-H824 HydrophobicContact CG1-CB 4.3Å; V797-H824 HydrophobicContact CG2-CB 3.9Å; T820-H824 PolarHBondContact O-CD2 2.98Å; T820-H824 VanDerWaalsContact O-CD2 3.3Å; T820-H824 PolarHBondContact O-N 2.98Å; V821-H824 PolarHBondContact O-N 3.41Å; H824-L828 WeakPolarHBondContact O-CB 3.19Å; H824-L828 PolarHBondContact O-N 3.5Å |
| 825 | R | 91.2 | Very high | 88.8 | Confident | 74 Ų | 74 | 61.4 Ų | 61.4 | 28% | 0.279 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -63.1 | -41.4 | 175.1 | -179.2 | 176.3 | 175 | -101.9 | 11.1 | 112.4 | L801 V821 H822 V823 L828 M829 D837 | L801-R825 HydrophobicContact CD1-CB 4.28Å; L801-R825 HydrophobicContact CD1-CG 3.91Å; V821-R825 WeakPolarHBondContact O-CB 3.48Å; V821-R825 PolarHBondContact O-N 3.02Å; H822-R825 PolarHBondContact O-N 2.84Å; V823-R825 VanDerWaalsContact C-N 3.29Å; V823-R825 PolarHBondContact O-N 3.03Å; R825-L828 WeakPolarHBondContact O-CB 3.36Å; R825-M829 HydrophobicContact CG-CE 4.28Å; R825-M829 WeakPolarHBondContact O-CB 3.32Å; R825-M829 WeakPolarHBondContact O-CG 3.47Å; R825-M829 PolarHBondContact O-N 2.9Å; R825-D837 IonicContact CZ-OD1 3.6Å; R825-D837 IonicContact CZ-OD2 3.86Å; R825-D837 IonicContact NE-OD1 2.82Å; R825-D837 PolarHBondContact NE-OD1 2.85Å; R825-D837 IonicContact NE-OD2 3.52Å; R825-D837 VanDerWaalsContact NH2-CG 3.35Å; R825-D837 IonicContact NH2-OD1 3.19Å; R825-D837 PolarHBondContact NH2-OD1 3.34Å; R825-D837 IonicContact NH2-OD2 2.8Å; R825-D837 PolarHBondContact NH2-OD2 3.03Å |
| 826 | A | 89.4 | Confident | 88.6 | Confident | 57 Ų | 57 | 61.1 Ų | 61.1 | 47% | 0.471 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -65.4 | -49.5 | 177.8 | 0 | 0 | 0 | 0 | 0 | 111.7 | H822 V823 L828 M829 E830 | H822-A826 PolarHBondContact O-N 2.94Å; V823-A826 PolarHBondContact O-N 3.22Å; A826-L828 VanDerWaalsContact C-N 3.33Å; A826-L828 PolarHBondContact O-N 3.21Å; A826-M829 PolarHBondContact O-N 3.21Å; A826-E830 PolarHBondContact O-N 2.89Å |
| 827 | N | 88.2 | Confident | 88.1 | Confident | 59 Ų | 59 | 62 Ų | 62 | 32% | 0.316 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -62 | -41.8 | 178.4 | -65.7 | -1.3 | 0 | 0 | 0 | 112 | E794 V823 E830 K831 | E794-N827 VanDerWaalsContact OE1-CB 3.32Å; E794-N827 WeakPolarHBondContact OE1-CB 3.36Å; V823-N827 PolarHBondContact O-N 2.95Å; V823-N827 PolarHBondContact O-OD1 3.41Å; N827-E830 PolarHBondContact O-N 3.35Å; N827-K831 VanDerWaalsContact O-CB 3.28Å; N827-K831 WeakPolarHBondContact O-CB 3.47Å; N827-K831 WeakPolarHBondContact O-CG 3.21Å; N827-K831 PolarHBondContact O-N 3.4Å |
| 828 | L | 88.7 | Confident | 87.6 | Confident | 0 Ų | 0 | 64.9 Ų | 64.9 | 0% | 0 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -54.2 | -50.9 | 172.4 | 162 | 80.4 | 0 | 0 | 0 | 111.7 | L790 A798 L801 H824 R825 A826 K831 L832 L840 | L790-L828 HydrophobicContact CD1-CD1 3.59Å; L790-L828 HydrophobicContact CD2-CD1 3.93Å; L790-L828 HydrophobicContact CG-CD1 4.46Å; A798-L828 HydrophobicContact CB-CD1 3.75Å; A798-L828 HydrophobicContact CB-CD2 4.3Å; L801-L828 HydrophobicContact CD1-CD2 3.88Å; H824-L828 WeakPolarHBondContact O-CB 3.19Å; H824-L828 PolarHBondContact O-N 3.5Å; R825-L828 WeakPolarHBondContact O-CB 3.36Å; A826-L828 VanDerWaalsContact C-N 3.33Å; A826-L828 PolarHBondContact O-N 3.21Å; L828-K831 PolarHBondContact O-N 3.02Å; L828-L832 HydrophobicContact CD1-CD1 3.47Å; L828-L832 VanDerWaalsContact CD1-CD1 3.47Å; L828-L832 HydrophobicContact CD1-CG 4.43Å; L828-L832 HydrophobicContact CG-CD1 4.24Å; L828-L832 WeakPolarHBondContact O-CB 3.27Å; L828-L832 WeakPolarHBondContact O-CG 3.48Å; L828-L832 PolarHBondContact O-N 3.17Å; L828-L840 HydrophobicContact CD1-CD1 3.76Å; L828-L840 HydrophobicContact CD2-CD1 3.91Å; L828-L840 HydrophobicContact CD2-CD2 3.63Å; L828-L840 HydrophobicContact CD2-CG 4.42Å; L828-L840 HydrophobicContact CG-CD1 3.88Å |
| 829 | M | 86.6 | Confident | 87.1 | Confident | 23 Ų | 23 | 65.7 Ų | 65.7 | 11% | 0.113 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -65.4 | -41.3 | -178.1 | -68.9 | -117.5 | 176.7 | 0 | 0 | 111.8 | R825 A826 G833 V834 N836 D837 | R825-M829 HydrophobicContact CG-CE 4.28Å; R825-M829 WeakPolarHBondContact O-CB 3.32Å; R825-M829 WeakPolarHBondContact O-CG 3.47Å; R825-M829 PolarHBondContact O-N 2.9Å; A826-M829 PolarHBondContact O-N 3.21Å; M829-G833 WeakPolarHBondContact O-CA 3.34Å; M829-G833 PolarHBondContact O-N 3.33Å; M829-V834 HydrophobicContact CB-CG2 4.34Å; M829-V834 WeakPolarHBondContact CB-O 3.47Å; M829-V834 HydrophobicContact CG-CG2 4.27Å; M829-V834 PolarHBondContact O-N 3.47Å; M829-V834 VanDerWaalsContact O-N 3.11Å; M829-V834 HydrophobicContact SD-CG2 4.11Å; M829-V834 VanDerWaalsContact SD-O 3.4Å; M829-N836 VanDerWaalsContact CE-C 3.45Å; M829-D837 WeakPolarHBondContact CE-OD1 3.26Å |
| 830 | E | 84.3 | Confident | 86.7 | Confident | 157 Ų | 157 | 57.7 Ų | 57.7 | 73% | 0.734 | 32% | 0.324 | S | S | * | . | H | α-helix | trans | -63.2 | -49.2 | 175.7 | -174.9 | 177.9 | -171.5 | 0 | 0 | 111.7 | A826 N827 L832 G833 | A826-E830 PolarHBondContact O-N 2.89Å; N827-E830 PolarHBondContact O-N 3.35Å; E830-L832 VanDerWaalsContact C-N 3.3Å; E830-L832 PolarHBondContact O-N 3.39Å; E830-G833 PolarHBondContact O-N 3.17Å |
| 831 | K | 83.2 | Confident | 86.2 | Confident | 94 Ų | 94 | 56.6 Ų | 56.6 | 41% | 0.409 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -63.5 | -33.8 | 179.3 | -74.2 | 172.1 | 174.1 | -167.4 | 0 | 113.3 | P789 L790 E794 N827 L828 | P789-K831 WeakPolarHBondContact O-CD 3.18Å; P789-K831 PolarHBondContact O-NZ 3.23Å; P789-K831 VanDerWaalsContact O-NZ 3.07Å; L790-K831 HydrophobicContact CD2-CB 4.35Å; L790-K831 HydrophobicContact CD2-CD 4.1Å; E794-K831 VanDerWaalsContact CD-NZ 3.3Å; E794-K831 IonicContact OE1-NZ 2.82Å; E794-K831 PolarHBondContact OE1-NZ 3.49Å; E794-K831 VanDerWaalsContact OE1-NZ 3.09Å; E794-K831 IonicContact OE2-NZ 3.53Å; E794-K831 PolarHBondContact OE2-NZ 3.39Å; N827-K831 VanDerWaalsContact O-CB 3.28Å; N827-K831 WeakPolarHBondContact O-CB 3.47Å; N827-K831 WeakPolarHBondContact O-CG 3.21Å; N827-K831 PolarHBondContact O-N 3.4Å; L828-K831 PolarHBondContact O-N 3.02Å |
| 832 | L | 80.1 | Confident | 85.4 | Confident | 19 Ų | 19 | 65.3 Ų | 65.3 | 10% | 0.099 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -95.6 | -6.2 | -178.3 | -63.8 | 176.4 | 0 | 0 | 0 | 112.9 | P789 L790 L828 E830 V834 L840 R843 | P789-L832 HydrophobicContact CG-CD2 4.43Å; L790-L832 HydrophobicContact CD1-CD1 4.21Å; L790-L832 HydrophobicContact CD2-CD1 4.43Å; L790-L832 HydrophobicContact CD2-CG 4.29Å; L828-L832 HydrophobicContact CD1-CD1 3.47Å; L828-L832 VanDerWaalsContact CD1-CD1 3.47Å; L828-L832 HydrophobicContact CD1-CG 4.43Å; L828-L832 HydrophobicContact CG-CD1 4.24Å; L828-L832 WeakPolarHBondContact O-CB 3.27Å; L828-L832 WeakPolarHBondContact O-CG 3.48Å; L828-L832 PolarHBondContact O-N 3.17Å; E830-L832 VanDerWaalsContact C-N 3.3Å; E830-L832 PolarHBondContact O-N 3.39Å; L832-V834 VanDerWaalsContact C-N 3.26Å; L832-V834 HydrophobicContact CB-CG1 4.41Å; L832-V834 HydrophobicContact CB-CG2 3.98Å; L832-V834 PolarHBondContact O-N 3.43Å; L832-L840 HydrophobicContact CD1-CD1 3.64Å; L832-R843 PolarHBondContact O-NH1 3.05Å; L832-R843 PolarHBondContact O-NH2 3.24Å |
| 833 | G | 82.4 | Confident | 84.4 | Confident | 59 Ų | 59 | 65.7 Ų | 65.7 | 61% | 0.608 | 35% | 0.349 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 58.3 | 36.3 | -176.9 | 0 | 0 | 0 | 0 | 0 | 113.4 | M829 E830 | M829-G833 WeakPolarHBondContact O-CA 3.34Å; M829-G833 PolarHBondContact O-N 3.33Å; E830-G833 PolarHBondContact O-N 3.17Å |
| 834 | V | 85.4 | Confident | 83.5 | Confident | 10 Ų | 10 | 64.4 Ų | 64.4 | 6% | 0.061 | 34% | 0.339 | C | S | . | . | trans | -108.6 | 144.2 | 178.3 | -69.3 | 0 | 0 | 0 | 0 | 110.5 | M829 L832 E839 L840 R843 | M829-V834 HydrophobicContact CB-CG2 4.34Å; M829-V834 WeakPolarHBondContact CB-O 3.47Å; M829-V834 HydrophobicContact CG-CG2 4.27Å; M829-V834 PolarHBondContact O-N 3.47Å; M829-V834 VanDerWaalsContact O-N 3.11Å; M829-V834 HydrophobicContact SD-CG2 4.11Å; M829-V834 VanDerWaalsContact SD-O 3.4Å; L832-V834 VanDerWaalsContact C-N 3.26Å; L832-V834 HydrophobicContact CB-CG1 4.41Å; L832-V834 HydrophobicContact CB-CG2 3.98Å; L832-V834 PolarHBondContact O-N 3.43Å; V834-E839 HydrophobicContact CB-CB 4.21Å; V834-E839 HydrophobicContact CB-CG 4.19Å; V834-E839 HydrophobicContact CG1-CB 4.31Å; V834-E839 HydrophobicContact CG1-CG 3.91Å; V834-L840 HydrophobicContact CG2-CB 4.24Å; V834-L840 HydrophobicContact CG2-CD1 4.24Å; V834-R843 HydrophobicContact CG1-CG 4.24Å | ||
| 835 | S | 82.4 | Confident | 82.4 | Confident | 92 Ų | 92 | 71.9 Ų | 71.9 | 64% | 0.643 | 37% | 0.372 | S | S | * | . | trans | -97.6 | -18.5 | -170.6 | 64.2 | 0 | 0 | 0 | 0 | 114.1 | E839 | S835-E839 WeakPolarHBondContact CB-OE2 3.23Å; S835-E839 PolarHBondContact N-OE2 3.48Å; S835-E839 PolarHBondContact OG-OE2 3.31Å | ||
| 836 | N | 86.3 | Confident | 81 | Confident | 65 Ų | 65 | 74.3 Ų | 74.3 | 35% | 0.348 | 39% | 0.39 | S | S | . | . | S | Bend | trans | -157.6 | 168.5 | -176.5 | 63 | 71.5 | 0 | 0 | 0 | 112.5 | M829 V838 E839 L840 | M829-N836 VanDerWaalsContact CE-C 3.45Å; N836-V838 PolarHBondContact O-N 3.38Å; N836-V838 WeakPolarHBondContact OD1-CA 3.35Å; N836-V838 VanDerWaalsContact OD1-CB 3.26Å; N836-V838 WeakPolarHBondContact OD1-CB 3.3Å; N836-V838 PolarHBondContact OD1-N 3.38Å; N836-E839 PolarHBondContact O-N 3.47Å; N836-E839 PolarHBondContact OD1-N 3.12Å; N836-L840 PolarHBondContact O-N 2.94Å; N836-L840 VanDerWaalsContact O-N 3.09Å |
| 837 | D | 83 | Confident | 79.2 | Confident | 53 Ų | 53 | 74.3 Ų | 74.3 | 28% | 0.283 | 40% | 0.396 | S | S | . | . | H | α-helix | trans | -67.4 | -23.4 | -174.9 | -58 | -43.5 | 0 | 0 | 0 | 112.9 | R825 M829 A841 | R825-D837 IonicContact CZ-OD1 3.6Å; R825-D837 IonicContact CZ-OD2 3.86Å; R825-D837 IonicContact NE-OD1 2.82Å; R825-D837 PolarHBondContact NE-OD1 2.85Å; R825-D837 IonicContact NE-OD2 3.52Å; R825-D837 VanDerWaalsContact NH2-CG 3.35Å; R825-D837 IonicContact NH2-OD1 3.19Å; R825-D837 PolarHBondContact NH2-OD1 3.34Å; R825-D837 IonicContact NH2-OD2 2.8Å; R825-D837 PolarHBondContact NH2-OD2 3.03Å; M829-D837 WeakPolarHBondContact CE-OD1 3.26Å; D837-A841 WeakPolarHBondContact O-CB 3.4Å; D837-A841 PolarHBondContact O-N 3.48Å |
| 838 | V | 82.1 | Confident | 77.6 | Confident | 115 Ų | 115 | 78 Ų | 78 | 70% | 0.697 | 41% | 0.405 | S | S | * | . | H | α-helix | trans | -72.6 | -42.7 | 176.2 | -178.2 | 0 | 0 | 0 | 0 | 110.6 | N836 L840 A841 R842 | N836-V838 PolarHBondContact O-N 3.38Å; N836-V838 WeakPolarHBondContact OD1-CA 3.35Å; N836-V838 VanDerWaalsContact OD1-CB 3.26Å; N836-V838 WeakPolarHBondContact OD1-CB 3.3Å; N836-V838 PolarHBondContact OD1-N 3.38Å; V838-L840 VanDerWaalsContact C-N 3.34Å; V838-A841 PolarHBondContact O-N 2.89Å; V838-R842 WeakPolarHBondContact O-CB 3.21Å; V838-R842 PolarHBondContact O-N 3.48Å |
| 839 | E | 80.9 | Confident | 77 | Confident | 79 Ų | 79 | 81.9 Ų | 81.9 | 37% | 0.369 | 43% | 0.425 | S | S | . | . | H | α-helix | trans | -67.4 | -37.2 | 177.3 | -159.6 | 173.7 | -158.8 | 0 | 0 | 111.6 | V834 S835 N836 R842 R843 | V834-E839 HydrophobicContact CB-CB 4.21Å; V834-E839 HydrophobicContact CB-CG 4.19Å; V834-E839 HydrophobicContact CG1-CB 4.31Å; V834-E839 HydrophobicContact CG1-CG 3.91Å; S835-E839 WeakPolarHBondContact CB-OE2 3.23Å; S835-E839 PolarHBondContact N-OE2 3.48Å; S835-E839 PolarHBondContact OG-OE2 3.31Å; N836-E839 PolarHBondContact O-N 3.47Å; N836-E839 PolarHBondContact OD1-N 3.12Å; E839-R842 PolarHBondContact O-N 3.24Å; E839-R843 PolarHBondContact O-N 3.2Å; E839-R843 VanDerWaalsContact O-N 3.1Å |
| 840 | L | 83.1 | Confident | 76.5 | Confident | 0 Ų | 0 | 84.9 Ų | 84.9 | 0% | 0 | 44% | 0.442 | C | S | . | . | H | α-helix | trans | -59.5 | -50.9 | 169.5 | 177.3 | 73.3 | 0 | 0 | 0 | 112.1 | L801 L828 L832 V834 N836 V838 R842 R843 M844 | L801-L840 HydrophobicContact CB-CD2 3.87Å; L801-L840 HydrophobicContact CD1-CD2 3.85Å; L828-L840 HydrophobicContact CD1-CD1 3.76Å; L828-L840 HydrophobicContact CD2-CD1 3.91Å; L828-L840 HydrophobicContact CD2-CD2 3.63Å; L828-L840 HydrophobicContact CD2-CG 4.42Å; L828-L840 HydrophobicContact CG-CD1 3.88Å; L832-L840 HydrophobicContact CD1-CD1 3.64Å; V834-L840 HydrophobicContact CG2-CB 4.24Å; V834-L840 HydrophobicContact CG2-CD1 4.24Å; N836-L840 PolarHBondContact O-N 2.94Å; N836-L840 VanDerWaalsContact O-N 3.09Å; V838-L840 VanDerWaalsContact C-N 3.34Å; L840-R842 VanDerWaalsContact C-N 3.26Å; L840-R842 PolarHBondContact O-N 2.87Å; L840-R843 PolarHBondContact O-N 3.19Å; L840-M844 PolarHBondContact O-N 2.97Å |
| 841 | A | 81.2 | Confident | 76.1 | Confident | 25 Ų | 25 | 80.9 Ų | 80.9 | 21% | 0.207 | 43% | 0.426 | C | S | . | . | H | α-helix | trans | -61.1 | -36.8 | -179.7 | 0 | 0 | 0 | 0 | 0 | 112 | A802 D837 V838 M844 F845 | A802-A841 HydrophobicContact CB-CB 4.25Å; D837-A841 WeakPolarHBondContact O-CB 3.4Å; D837-A841 PolarHBondContact O-N 3.48Å; V838-A841 PolarHBondContact O-N 2.89Å; A841-M844 PolarHBondContact O-N 3.45Å; A841-F845 PolarHBondContact O-N 3.16Å |
| 842 | R | 77.7 | Confident | 75.7 | Confident | 183 Ų | 183 | 80.2 Ų | 80.2 | 69% | 0.691 | 43% | 0.427 | S | S | * | . | H | α-helix | trans | -64.3 | -46.9 | 175.6 | -170.8 | 178.1 | 165.5 | 172 | -3.4 | 112 | V838 E839 L840 M844 F845 D846 | V838-R842 WeakPolarHBondContact O-CB 3.21Å; V838-R842 PolarHBondContact O-N 3.48Å; E839-R842 PolarHBondContact O-N 3.24Å; L840-R842 VanDerWaalsContact C-N 3.26Å; L840-R842 PolarHBondContact O-N 2.87Å; R842-M844 VanDerWaalsContact C-N 3.3Å; R842-M844 PolarHBondContact O-N 3.31Å; R842-F845 WeakPolarHBondContact O-CB 3.38Å; R842-F845 PolarHBondContact O-N 2.78Å; R842-F845 VanDerWaalsContact O-N 3.12Å; R842-D846 PolarHBondContact O-N 3.21Å |
| 843 | R | 72 | Confident | 75.4 | Confident | 106 Ų | 106 | 84 Ų | 84 | 40% | 0.4 | 45% | 0.447 | S | S | . | . | H | α-helix | trans | -61 | -36.2 | 175.2 | -83.2 | -151.9 | -179 | -171.2 | 10.3 | 113.5 | L832 V834 E839 L840 F845 D846 | L832-R843 PolarHBondContact O-NH1 3.05Å; L832-R843 PolarHBondContact O-NH2 3.24Å; V834-R843 HydrophobicContact CG1-CG 4.24Å; E839-R843 PolarHBondContact O-N 3.2Å; E839-R843 VanDerWaalsContact O-N 3.1Å; L840-R843 PolarHBondContact O-N 3.19Å; R843-F845 VanDerWaalsContact C-N 3.3Å; R843-F845 PolarHBondContact O-N 2.64Å; R843-D846 PolarHBondContact O-N 2.94Å |
| 844 | M | 72.2 | Confident | 74.9 | Confident | 49 Ų | 49 | 85.7 Ų | 85.7 | 24% | 0.241 | 44% | 0.436 | C | S | . | . | H | α-helix | trans | -66.6 | -32.8 | 175.7 | -73.8 | -165.2 | 67.1 | 0 | 0 | 112.8 | A798 E799 A802 L840 A841 R842 | A798-M844 VanDerWaalsContact C-SD 3.53Å; A798-M844 HydrophobicContact CB-SD 3.78Å; A798-M844 VanDerWaalsContact O-SD 3.41Å; E799-M844 HydrophobicContact CB-CE 4.42Å; E799-M844 HydrophobicContact CG-CE 3.78Å; A802-M844 HydrophobicContact CB-SD 3.69Å; L840-M844 PolarHBondContact O-N 2.97Å; A841-M844 PolarHBondContact O-N 3.45Å; R842-M844 VanDerWaalsContact C-N 3.3Å; R842-M844 PolarHBondContact O-N 3.31Å |
| 845 | F | 69.5 | Low | 74.2 | Confident | 191 Ų | 191 | 91.1 Ų | 91.1 | 84% | 0.838 | 46% | 0.463 | S | S | * | . | H | α-helix | trans | -70.4 | -33.8 | 176.1 | -111 | -83.8 | 0 | 0 | 0 | 113 | A841 R842 R843 G847 | A841-F845 PolarHBondContact O-N 3.16Å; R842-F845 WeakPolarHBondContact O-CB 3.38Å; R842-F845 PolarHBondContact O-N 2.78Å; R842-F845 VanDerWaalsContact O-N 3.12Å; R843-F845 VanDerWaalsContact C-N 3.3Å; R843-F845 PolarHBondContact O-N 2.64Å; F845-G847 PolarHBondContact O-N 2.68Å |
| 846 | D | 63.5 | Low | 73.5 | Confident | 124 Ų | 124 | 91 Ų | 91 | 66% | 0.663 | 45% | 0.449 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79.8 | 0.2 | -177.3 | -67.8 | -26.6 | 0 | 0 | 0 | 113.7 | R842 R843 | R842-D846 PolarHBondContact O-N 3.21Å; R843-D846 PolarHBondContact O-N 2.94Å |
| 847 | G | 51 | Low | 72.5 | Confident | 57 Ų | 57 | 93.2 Ų | 93.2 | 59% | 0.588 | 46% | 0.458 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 83.7 | 46.2 | 171.9 | 0 | 0 | 0 | 0 | 0 | 115.5 | F845 | F845-G847 PolarHBondContact O-N 2.68Š|
| 848 | W | 53.7 | Low | 71.5 | Confident | 136 Ų | 136 | 96.8 Ų | 96.8 | 52% | 0.515 | 47% | 0.473 | S | S | . | . | trans | 66.4 | 0 | 176.9 | -70.6 | 74.8 | 0 | 0 | 0 | 116.5 | D788 L790 R795 | D788-W848 WeakPolarHBondContact OD1-CZ3 3.41Å; L790-W848 HydrophobicContact CB-CH2 4.09Å; L790-W848 HydrophobicContact CB-CZ3 4.17Å; L790-W848 HydrophobicContact CD1-CH2 3.3Å; L790-W848 HydrophobicContact CD1-CZ2 4.38Å; L790-W848 HydrophobicContact CD1-CZ3 3.48Å; L790-W848 VanDerWaalsContact CD1-CZ3 3.48Å; L790-W848 HydrophobicContact CG-CH2 3.85Å; L790-W848 HydrophobicContact CG-CZ3 3.66Å; R795-W848 HydrophobicContact CG-CH2 4.09Å; R795-W848 HydrophobicContact CG-CZ2 3.97Å |
Retrieved 848 of 848 residues in 367 ms
(Link to these results)