| 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 | 78.3 | Confident | 90.7 | Very high | 159 Ų | 159 | 62.5 Ų | 62.5 | 78% | 0.783 | 37% | 0.367 | S | S | * | . | 0 | 97.4 | 0 | -65.4 | 177.3 | 79.8 | 0 | 0 | 106 | Y14 D15 | M1-Y14 VanDerWaalsContact CA-O 3.31Å; M1-Y14 WeakPolarHBondContact CA-O 3.48Å; M1-D15 HydrophobicContact CE-CB 4.46Å; M1-D15 WeakPolarHBondContact CE-OD1 3.45Å | |||
| 2 | P | 88.5 | Confident | 90.7 | Very high | 1 Ų | 1 | 64.1 Ų | 64.1 | 1% | 0.006 | 36% | 0.362 | C | S | . | . | trans | -79.1 | 134 | -177.3 | 30.7 | -34.5 | 0 | 0 | 0 | 111.3 | I4 Y14 H16 V18 N53 D54 | P2-I4 HydrophobicContact CB-CD1 4.13Å; P2-Y14 WeakPolarHBondContact CD-O 3.15Å; P2-Y14 PolarHBondContact O-N 3.01Å; P2-H16 WeakPolarHBondContact CD-O 3.37Å; P2-V18 HydrophobicContact CG-CG2 4.19Å; P2-N53 WeakPolarHBondContact CB-O 3.2Å; P2-D54 WeakPolarHBondContact CA-OD1 3.32Å | ||
| 3 | V | 92.2 | Very high | 90.9 | Very high | 27 Ų | 27 | 69.4 Ų | 69.4 | 16% | 0.164 | 38% | 0.382 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.7 | 113.7 | 163.6 | -173.3 | 0 | 0 | 0 | 0 | 108.4 | Q11 D54 A55 | V3-Q11 HydrophobicContact CG1-CB 4.11Å; V3-Q11 HydrophobicContact CG1-CG 4.27Å; V3-D54 HydrophobicContact CB-CB 4.36Å; V3-D54 PolarHBondContact N-OD1 3.23Å; V3-D54 WeakPolarHBondContact O-CA 3.33Å; V3-A55 PolarHBondContact O-N 3.4Å; V3-A55 VanDerWaalsContact O-N 3.08Å |
| 4 | I | 95 | Very high | 91 | Very high | 0 Ų | 0 | 66.3 Ų | 66.3 | 0% | 0 | 36% | 0.362 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.4 | 118.3 | -179.1 | -56.8 | -59.3 | 0 | 0 | 0 | 109.6 | P2 L6 Q11 R12 Y14 V18 V23 I51 A55 L57 | P2-I4 HydrophobicContact CB-CD1 4.13Å; I4-L6 HydrophobicContact CG2-CD2 4.42Å; I4-Q11 CarbonylContact O-C 3.53Å; I4-Q11 WeakPolarHBondContact O-CA 3.43Å; I4-R12 PolarHBondContact N-O 3.36Å; I4-R12 PolarHBondContact O-N 3.07Å; I4-Y14 HydrophobicContact CB-CD2 4.48Å; I4-Y14 HydrophobicContact CB-CE2 4.14Å; I4-Y14 HydrophobicContact CG1-CD2 3.81Å; I4-Y14 HydrophobicContact CG1-CE2 3.83Å; I4-V18 HydrophobicContact CG1-CG2 4.25Å; I4-V23 HydrophobicContact CG1-CG2 4.45Å; I4-V23 HydrophobicContact CG2-CG1 4.48Å; I4-I51 HydrophobicContact CD1-CB 4.33Å; I4-I51 HydrophobicContact CD1-CD1 4.18Å; I4-I51 HydrophobicContact CD1-CG2 3.7Å; I4-A55 WeakPolarHBondContact CA-O 3.26Å; I4-A55 HydrophobicContact CD1-CB 4.45Å; I4-L57 HydrophobicContact CG2-CB 3.54Å; I4-L57 HydrophobicContact CG2-CD2 3.9Å; I4-L57 HydrophobicContact CG2-CG 4.38Å |
| 5 | T | 94 | Very high | 90.9 | Very high | 32 Ų | 32 | 70.5 Ų | 70.5 | 20% | 0.196 | 38% | 0.384 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.3 | 123.3 | 176.3 | -54.3 | 0 | 0 | 0 | 0 | 109.9 | Q11 A55 Q56 L57 | T5-Q11 HydrophobicContact CG2-CG 4.38Å; T5-A55 PolarHBondContact N-O 3.43Å; T5-Q56 CarbonylContact O-C 3.51Å; T5-Q56 WeakPolarHBondContact O-CA 3.46Å; T5-L57 PolarHBondContact O-N 3.04Å |
| 6 | L | 93.7 | Very high | 90.9 | Very high | 20 Ų | 20 | 73.9 Ų | 73.9 | 11% | 0.105 | 40% | 0.396 | C | S | . | . | P | Polyproline II helix | trans | -89.4 | 165.6 | 179.8 | -64.5 | 178 | 0 | 0 | 0 | 111.6 | I4 D8 G9 S10 V23 I27 | I4-L6 HydrophobicContact CG2-CD2 4.42Å; L6-D8 WeakPolarHBondContact CB-OD1 3.21Å; L6-D8 PolarHBondContact O-N 3.32Å; L6-D8 VanDerWaalsContact O-N 3.13Å; L6-G9 PolarHBondContact O-N 2.81Å; L6-S10 PolarHBondContact N-O 2.93Å; L6-V23 HydrophobicContact CD2-CG1 4.31Å; L6-I27 HydrophobicContact CD1-CD1 3.85Å; L6-I27 HydrophobicContact CD1-CG1 4.44Å; L6-I27 HydrophobicContact CD2-CD1 4.24Å |
| 7 | P | 90.1 | Very high | 91.1 | Very high | 104 Ų | 104 | 71.6 Ų | 71.6 | 68% | 0.675 | 39% | 0.389 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.1 | -19.4 | -176.3 | -23.5 | 36 | 0 | 0 | 0 | 114.6 | L57 | P7-L57 WeakPolarHBondContact CD-O 3.45Š|
| 8 | D | 91.6 | Very high | 91.3 | Very high | 127 Ų | 127 | 67.7 Ų | 67.7 | 68% | 0.679 | 37% | 0.368 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83 | 1.8 | 174.3 | 67 | -8.7 | 0 | 0 | 0 | 113.2 | L6 S10 | L6-D8 WeakPolarHBondContact CB-OD1 3.21Å; L6-D8 PolarHBondContact O-N 3.32Å; L6-D8 VanDerWaalsContact O-N 3.13Å; D8-S10 VanDerWaalsContact C-N 3.27Å; D8-S10 PolarHBondContact O-N 3.31Å; D8-S10 VanDerWaalsContact OD1-CB 3.29Å; D8-S10 WeakPolarHBondContact OD1-CB 3.4Å; D8-S10 PolarHBondContact OD1-N 3.33Å; D8-S10 PolarHBondContact OD1-OG 2.76Å; D8-S10 PolarHBondContact OD2-OG 2.89Å |
| 9 | G | 89.1 | Confident | 91.5 | Very high | 55 Ų | 55 | 64.6 Ų | 64.6 | 57% | 0.567 | 35% | 0.352 | S | S | * | . | S | Bend | trans | 82.3 | -2.5 | -177.3 | 0 | 0 | 0 | 0 | 0 | 114.2 | L6 | L6-G9 PolarHBondContact O-N 2.81Š|
| 10 | S | 91.9 | Very high | 91.7 | Very high | 44 Ų | 44 | 61.4 Ų | 61.4 | 31% | 0.308 | 33% | 0.334 | S | S | . | . | trans | -71.5 | 143.1 | 176.4 | 68.3 | 0 | 0 | 0 | 0 | 111.2 | L6 D8 | L6-S10 PolarHBondContact N-O 2.93Å; D8-S10 VanDerWaalsContact C-N 3.27Å; D8-S10 PolarHBondContact O-N 3.31Å; D8-S10 VanDerWaalsContact OD1-CB 3.29Å; D8-S10 WeakPolarHBondContact OD1-CB 3.4Å; D8-S10 PolarHBondContact OD1-N 3.33Å; D8-S10 PolarHBondContact OD1-OG 2.76Å; D8-S10 PolarHBondContact OD2-OG 2.89Å | ||
| 11 | Q | 92.9 | Very high | 91.9 | Very high | 118 Ų | 118 | 60.2 Ų | 60.2 | 55% | 0.551 | 33% | 0.327 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -109.2 | 138.8 | 178 | -68.5 | -175.7 | -20.1 | 0 | 0 | 110.4 | V3 I4 T5 | V3-Q11 HydrophobicContact CG1-CB 4.11Å; V3-Q11 HydrophobicContact CG1-CG 4.27Å; I4-Q11 CarbonylContact O-C 3.53Å; I4-Q11 WeakPolarHBondContact O-CA 3.43Å; T5-Q11 HydrophobicContact CG2-CG 4.38Å |
| 12 | R | 91.3 | Very high | 92.7 | Very high | 82 Ų | 82 | 55.9 Ų | 55.9 | 31% | 0.309 | 31% | 0.307 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121 | 135.2 | 171.7 | -65.1 | -161.6 | 175.4 | -133.4 | -1.3 | 109.9 | I4 Y14 D26 | I4-R12 PolarHBondContact N-O 3.36Å; I4-R12 PolarHBondContact O-N 3.07Å; R12-Y14 HydrophobicContact CB-CE2 3.69Å; R12-Y14 WeakPolarHBondContact CD-OH 3.47Å; R12-D26 WeakPolarHBondContact CD-OD2 3.27Å; R12-D26 IonicContact CZ-OD2 3.76Å; R12-D26 IonicContact NE-OD2 3.19Å; R12-D26 VanDerWaalsContact NH1-CG 3.25Å; R12-D26 PolarHBondContact NH1-O 3.17Å; R12-D26 IonicContact NH1-OD1 2.72Å; R12-D26 IonicContact NH1-OD2 2.78Å; R12-D26 PolarHBondContact NH1-OD2 2.9Å |
| 13 | H | 93.1 | Very high | 92.9 | Very high | 133 Ų | 133 | 55.8 Ų | 55.8 | 62% | 0.616 | 31% | 0.307 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -103.7 | 130.6 | -179 | -62.4 | -89 | 0 | 0 | 0 | 109.6 | ||
| 14 | Y | 92.6 | Very high | 93 | Very high | 26 Ų | 26 | 54.5 Ų | 54.5 | 10% | 0.102 | 30% | 0.299 | C | S | . | . | trans | -124.2 | 136.8 | 176.3 | -60.8 | -82.2 | 0 | 0 | 0 | 111.2 | M1 P2 I4 R12 H16 V18 V23 D26 | M1-Y14 VanDerWaalsContact CA-O 3.31Å; M1-Y14 WeakPolarHBondContact CA-O 3.48Å; P2-Y14 WeakPolarHBondContact CD-O 3.15Å; P2-Y14 PolarHBondContact O-N 3.01Å; I4-Y14 HydrophobicContact CB-CD2 4.48Å; I4-Y14 HydrophobicContact CB-CE2 4.14Å; I4-Y14 HydrophobicContact CG1-CD2 3.81Å; I4-Y14 HydrophobicContact CG1-CE2 3.83Å; R12-Y14 HydrophobicContact CB-CE2 3.69Å; R12-Y14 WeakPolarHBondContact CD-OH 3.47Å; Y14-H16 VanDerWaalsContact C-N 3.26Å; Y14-H16 PolarHBondContact O-N 3Å; Y14-V18 HydrophobicContact CD1-CG1 3.62Å; Y14-V18 HydrophobicContact CD2-CG1 4.26Å; Y14-V18 HydrophobicContact CD2-CG2 3.71Å; Y14-V18 HydrophobicContact CE1-CG1 4.31Å; Y14-V18 HydrophobicContact CE2-CG2 4.18Å; Y14-V18 HydrophobicContact CG-CB 4.37Å; Y14-V18 HydrophobicContact CG-CG1 3.6Å; Y14-V18 HydrophobicContact CG-CG2 3.91Å; Y14-V23 HydrophobicContact CE2-CG2 3.88Å; Y14-D26 HydrophobicContact CE1-CB 4.47Å; Y14-D26 PolarHBondContact OH-OD2 3.42Å | ||
| 15 | D | 89.5 | Confident | 93 | Very high | 130 Ų | 130 | 58.9 Ų | 58.9 | 70% | 0.695 | 32% | 0.322 | S | S | * | . | S | Bend | trans | -80.3 | -8.8 | -177.6 | -60 | -24.1 | 0 | 0 | 0 | 113.1 | M1 | M1-D15 HydrophobicContact CE-CB 4.46Å; M1-D15 WeakPolarHBondContact CE-OD1 3.45Å |
| 16 | H | 91.4 | Very high | 93 | Very high | 124 Ų | 124 | 61.2 Ų | 61.2 | 57% | 0.574 | 33% | 0.333 | S | S | * | . | S | Bend | trans | -140.1 | 168.1 | -178.6 | 53.9 | -78.6 | 0 | 0 | 0 | 110.1 | P2 Y14 V18 | P2-H16 WeakPolarHBondContact CD-O 3.37Å; Y14-H16 VanDerWaalsContact C-N 3.26Å; Y14-H16 PolarHBondContact O-N 3Å; H16-V18 PolarHBondContact O-N 3.29Å |
| 17 | A | 92.9 | Very high | 92.9 | Very high | 35 Ų | 35 | 63.4 Ų | 63.4 | 29% | 0.289 | 34% | 0.344 | S | S | . | . | trans | -63.5 | 134.4 | 172.6 | 0 | 0 | 0 | 0 | 0 | 110 | L50 I51 E52 | A17-L50 HydrophobicContact CB-CB 4.4Å; A17-I51 WeakPolarHBondContact CA-O 3.34Å; A17-E52 HydrophobicContact CB-CG 3.92Å | ||
| 18 | V | 94.7 | Very high | 93 | Very high | 1 Ų | 1 | 59.2 Ų | 59.2 | 1% | 0.006 | 32% | 0.32 | C | S | . | . | B | Isolated β-bridge | trans | -125.2 | 148.6 | -175.7 | -71 | 0 | 0 | 0 | 0 | 110.9 | P2 I4 Y14 H16 D22 V23 I51 | P2-V18 HydrophobicContact CG-CG2 4.19Å; I4-V18 HydrophobicContact CG1-CG2 4.25Å; Y14-V18 HydrophobicContact CD1-CG1 3.62Å; Y14-V18 HydrophobicContact CD2-CG1 4.26Å; Y14-V18 HydrophobicContact CD2-CG2 3.71Å; Y14-V18 HydrophobicContact CE1-CG1 4.31Å; Y14-V18 HydrophobicContact CE2-CG2 4.18Å; Y14-V18 HydrophobicContact CG-CB 4.37Å; Y14-V18 HydrophobicContact CG-CG1 3.6Å; Y14-V18 HydrophobicContact CG-CG2 3.91Å; H16-V18 PolarHBondContact O-N 3.29Å; V18-D22 HydrophobicContact CB-CB 4.22Å; V18-D22 HydrophobicContact CG1-CB 4.5Å; V18-V23 HydrophobicContact CB-CG2 4.37Å; V18-V23 HydrophobicContact CG2-CG2 3.91Å; V18-I51 PolarHBondContact N-O 2.92Å; V18-I51 WeakPolarHBondContact O-CB 3.25Å; V18-I51 PolarHBondContact O-N 3.26Å |
| 19 | S | 95.3 | Very high | 93 | Very high | 9 Ų | 9 | 58.3 Ų | 58.3 | 6% | 0.063 | 32% | 0.321 | C | S | . | . | trans | -91.7 | 161.3 | 172.5 | 69.9 | 0 | 0 | 0 | 0 | 112.1 | M21 D22 V23 A47 D49 | S19-M21 PolarHBondContact O-N 2.87Å; S19-M21 VanDerWaalsContact O-N 3.16Å; S19-M21 PolarHBondContact OG-N 3.12Å; S19-D22 WeakPolarHBondContact CB-OD2 3.45Å; S19-D22 PolarHBondContact N-OD2 3.39Å; S19-D22 PolarHBondContact O-N 3.44Å; S19-D22 PolarHBondContact OG-N 2.91Å; S19-D22 VanDerWaalsContact OG-N 3.16Å; S19-D22 PolarHBondContact OG-OD2 3.44Å; S19-V23 PolarHBondContact O-N 3.45Å; S19-A47 WeakPolarHBondContact CB-O 3.43Å; S19-A47 PolarHBondContact OG-O 3.21Å; S19-D49 WeakPolarHBondContact CA-O 3.5Å | ||
| 20 | P | 95.5 | Very high | 93.2 | Very high | 0 Ų | 0 | 58.5 Ų | 58.5 | 0% | 0 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -53.2 | -32.4 | 169.3 | -26.1 | 32 | 0 | 0 | 0 | 113.3 | A24 V45 A47 D49 I51 L57 I59 | P20-A24 VanDerWaalsContact O-CB 3.29Å; P20-A24 WeakPolarHBondContact O-CB 3.44Å; P20-A24 PolarHBondContact O-N 3Å; P20-V45 HydrophobicContact CG-CG2 3.94Å; P20-A47 WeakPolarHBondContact CD-O 3.5Å; P20-D49 WeakPolarHBondContact CD-O 3.41Å; P20-I51 HydrophobicContact CG-CD1 4.37Å; P20-L57 HydrophobicContact CB-CD1 4.16Å; P20-L57 HydrophobicContact CG-CD1 4.18Å; P20-I59 HydrophobicContact CB-CD1 4.18Å; P20-I59 WeakPolarHBondContact O-CD1 3.34Å |
| 21 | M | 96 | Very high | 93.3 | Very high | 38 Ų | 38 | 58.9 Ų | 58.9 | 19% | 0.187 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -67.1 | -40.8 | 174.3 | -174 | 61.7 | 68.2 | 0 | 0 | 112.2 | S19 A24 L25 A32 C35 A47 P188 | S19-M21 PolarHBondContact O-N 2.87Å; S19-M21 VanDerWaalsContact O-N 3.16Å; S19-M21 PolarHBondContact OG-N 3.12Å; M21-A24 PolarHBondContact O-N 3.21Å; M21-L25 HydrophobicContact CG-CD1 4.13Å; M21-L25 WeakPolarHBondContact O-CB 3.45Å; M21-L25 VanDerWaalsContact O-CG 3.3Å; M21-L25 WeakPolarHBondContact O-CG 3.37Å; M21-L25 PolarHBondContact O-N 3.3Å; M21-A32 HydrophobicContact SD-CB 4.19Å; M21-C35 HydrophobicContact CE-CB 4Å; M21-C35 HydrophobicContact SD-CB 4.22Å; M21-A47 HydrophobicContact CB-CB 4.34Å; M21-A47 WeakPolarHBondContact CB-O 3.43Å; M21-A47 HydrophobicContact CE-CB 3.97Å; M21-A47 PolarHBondContact N-O 3.12Å; M21-P188 HydrophobicContact CE-CB 4.14Å; M21-P188 HydrophobicContact CE-CG 3.89Å |
| 22 | D | 94.9 | Very high | 93.3 | Very high | 67 Ų | 67 | 53.6 Ų | 53.6 | 36% | 0.358 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -64.8 | -43.7 | 177.8 | -59.6 | -46.2 | 0 | 0 | 0 | 111.1 | V18 S19 A24 L25 D26 | V18-D22 HydrophobicContact CB-CB 4.22Å; V18-D22 HydrophobicContact CG1-CB 4.5Å; S19-D22 WeakPolarHBondContact CB-OD2 3.45Å; S19-D22 PolarHBondContact N-OD2 3.39Å; S19-D22 PolarHBondContact O-N 3.44Å; S19-D22 PolarHBondContact OG-N 2.91Å; S19-D22 VanDerWaalsContact OG-N 3.16Å; S19-D22 PolarHBondContact OG-OD2 3.44Å; D22-A24 VanDerWaalsContact C-N 3.34Å; D22-A24 PolarHBondContact O-N 3.39Å; D22-L25 WeakPolarHBondContact O-CB 3.31Å; D22-L25 PolarHBondContact O-N 3.18Å; D22-D26 WeakPolarHBondContact O-CB 3.13Å; D22-D26 PolarHBondContact O-N 2.89Å |
| 23 | V | 93.9 | Very high | 93.4 | Very high | 0 Ų | 0 | 56.9 Ų | 56.9 | 0% | 0 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -63.4 | -41.6 | 175 | -178.1 | 0 | 0 | 0 | 0 | 110.8 | I4 L6 Y14 V18 S19 L25 D26 I27 L57 | I4-V23 HydrophobicContact CG1-CG2 4.45Å; I4-V23 HydrophobicContact CG2-CG1 4.48Å; L6-V23 HydrophobicContact CD2-CG1 4.31Å; Y14-V23 HydrophobicContact CE2-CG2 3.88Å; V18-V23 HydrophobicContact CB-CG2 4.37Å; V18-V23 HydrophobicContact CG2-CG2 3.91Å; S19-V23 PolarHBondContact O-N 3.45Å; V23-L25 VanDerWaalsContact C-N 3.33Å; V23-L25 PolarHBondContact O-N 3.23Å; V23-D26 PolarHBondContact O-N 3.05Å; V23-I27 HydrophobicContact CG1-CD1 4.11Å; V23-I27 WeakPolarHBondContact O-CG1 3.38Å; V23-I27 PolarHBondContact O-N 3.28Å; V23-L57 HydrophobicContact CB-CD2 3.73Å; V23-L57 HydrophobicContact CG1-CD2 3.76Å; V23-L57 HydrophobicContact CG2-CD2 3.83Å |
| 24 | A | 94.5 | Very high | 93.5 | Very high | 0 Ų | 0 | 52.4 Ų | 52.4 | 0% | 0 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -64.5 | -36 | 176 | 0 | 0 | 0 | 0 | 0 | 112.7 | P20 M21 D22 G28 L31 A32 C35 I59 | P20-A24 VanDerWaalsContact O-CB 3.29Å; P20-A24 WeakPolarHBondContact O-CB 3.44Å; P20-A24 PolarHBondContact O-N 3Å; M21-A24 PolarHBondContact O-N 3.21Å; D22-A24 VanDerWaalsContact C-N 3.34Å; D22-A24 PolarHBondContact O-N 3.39Å; A24-G28 PolarHBondContact O-N 3.15Å; A24-L31 HydrophobicContact CB-CD2 4.47Å; A24-L31 HydrophobicContact CB-CG 4.2Å; A24-A32 HydrophobicContact CB-CB 4.36Å; A24-C35 HydrophobicContact CB-CB 4.05Å; A24-I59 HydrophobicContact CB-CD1 4.15Å; A24-I59 HydrophobicContact CB-CG1 4.42Å |
| 25 | L | 94.9 | Very high | 93.7 | Very high | 92 Ų | 92 | 51.1 Ų | 51.1 | 48% | 0.482 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -66.7 | -43.3 | 174.8 | -78.5 | 165.2 | 0 | 0 | 0 | 111.8 | M21 D22 V23 I27 G28 A32 | M21-L25 HydrophobicContact CG-CD1 4.13Å; M21-L25 WeakPolarHBondContact O-CB 3.45Å; M21-L25 VanDerWaalsContact O-CG 3.3Å; M21-L25 WeakPolarHBondContact O-CG 3.37Å; M21-L25 PolarHBondContact O-N 3.3Å; D22-L25 WeakPolarHBondContact O-CB 3.31Å; D22-L25 PolarHBondContact O-N 3.18Å; V23-L25 VanDerWaalsContact C-N 3.33Å; V23-L25 PolarHBondContact O-N 3.23Å; L25-I27 VanDerWaalsContact C-N 3.34Å; L25-I27 PolarHBondContact O-N 3.09Å; L25-G28 PolarHBondContact O-N 3.12Å; L25-A32 HydrophobicContact CB-CB 4.26Å; L25-A32 HydrophobicContact CD2-CB 3.32Å; L25-A32 HydrophobicContact CG-CB 3.54Å |
| 26 | D | 92.3 | Very high | 94 | Very high | 81 Ų | 81 | 45 Ų | 45 | 43% | 0.433 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -64.9 | -33.8 | 177.3 | 179.8 | 45.2 | 0 | 0 | 0 | 112.8 | R12 Y14 D22 V23 | R12-D26 WeakPolarHBondContact CD-OD2 3.27Å; R12-D26 IonicContact CZ-OD2 3.76Å; R12-D26 IonicContact NE-OD2 3.19Å; R12-D26 VanDerWaalsContact NH1-CG 3.25Å; R12-D26 PolarHBondContact NH1-O 3.17Å; R12-D26 IonicContact NH1-OD1 2.72Å; R12-D26 IonicContact NH1-OD2 2.78Å; R12-D26 PolarHBondContact NH1-OD2 2.9Å; Y14-D26 HydrophobicContact CE1-CB 4.47Å; Y14-D26 PolarHBondContact OH-OD2 3.42Å; D22-D26 WeakPolarHBondContact O-CB 3.13Å; D22-D26 PolarHBondContact O-N 2.89Å; V23-D26 PolarHBondContact O-N 3.05Å |
| 27 | I | 92.2 | Very high | 94.3 | Very high | 65 Ų | 65 | 39 Ų | 39 | 33% | 0.333 | 24% | 0.235 | S | C | . | . | H | α-helix | trans | -71.5 | -43.9 | 171.7 | -65.6 | 165.1 | 0 | 0 | 0 | 111 | L6 V23 L25 L31 | L6-I27 HydrophobicContact CD1-CD1 3.85Å; L6-I27 HydrophobicContact CD1-CG1 4.44Å; L6-I27 HydrophobicContact CD2-CD1 4.24Å; V23-I27 HydrophobicContact CG1-CD1 4.11Å; V23-I27 WeakPolarHBondContact O-CG1 3.38Å; V23-I27 PolarHBondContact O-N 3.28Å; L25-I27 VanDerWaalsContact C-N 3.34Å; L25-I27 PolarHBondContact O-N 3.09Å; I27-L31 HydrophobicContact CB-CD2 3.96Å; I27-L31 HydrophobicContact CD1-CD2 3.84Å; I27-L31 HydrophobicContact CG2-CD2 3.73Å |
| 28 | G | 92.5 | Very high | 94.4 | Very high | 17 Ų | 17 | 37.4 Ų | 37.4 | 18% | 0.175 | 22% | 0.221 | C | C | . | . | trans | 164.7 | 154.9 | 170.1 | 0 | 0 | 0 | 0 | 0 | 115 | A24 L25 G30 L31 A32 | A24-G28 PolarHBondContact O-N 3.15Å; L25-G28 PolarHBondContact O-N 3.12Å; G28-G30 PolarHBondContact O-N 3.37Å; G28-G30 VanDerWaalsContact O-N 3.07Å; G28-L31 PolarHBondContact O-N 2.67Å; G28-A32 PolarHBondContact O-N 3.09Å; G28-A32 VanDerWaalsContact O-N 3.15Å | ||
| 29 | P | 92.6 | Very high | 94.5 | Very high | 108 Ų | 108 | 40.7 Ų | 40.7 | 70% | 0.701 | 23% | 0.233 | S | C | * | . | H | α-helix | trans | -62.7 | -26.4 | -172 | 24.5 | -35.2 | 0 | 0 | 0 | 113.9 | K33 | P29-K33 WeakPolarHBondContact O-CB 3.43Å; P29-K33 PolarHBondContact O-N 3.1Å |
| 30 | G | 92.7 | Very high | 94.5 | Very high | 58 Ų | 58 | 41.3 Ų | 41.3 | 60% | 0.598 | 24% | 0.237 | S | C | * | . | H | α-helix | trans | -67.6 | -40.3 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.8 | G28 A34 | G28-G30 PolarHBondContact O-N 3.37Å; G28-G30 VanDerWaalsContact O-N 3.07Å; G30-A34 PolarHBondContact O-N 2.89Å |
| 31 | L | 93.2 | Very high | 94.4 | Very high | 53 Ų | 53 | 46.1 Ų | 46.1 | 28% | 0.277 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -72.2 | -45.2 | 178 | -176.1 | 61.4 | 0 | 0 | 0 | 110.4 | A24 I27 G28 K33 A34 C35 I59 T61 | A24-L31 HydrophobicContact CB-CD2 4.47Å; A24-L31 HydrophobicContact CB-CG 4.2Å; I27-L31 HydrophobicContact CB-CD2 3.96Å; I27-L31 HydrophobicContact CD1-CD2 3.84Å; I27-L31 HydrophobicContact CG2-CD2 3.73Å; G28-L31 PolarHBondContact O-N 2.67Å; L31-K33 VanDerWaalsContact C-N 3.27Å; L31-K33 PolarHBondContact O-N 2.88Å; L31-A34 CarbonylContact O-C 3.31Å; L31-A34 WeakPolarHBondContact O-CA 3.45Å; L31-A34 PolarHBondContact O-N 3.15Å; L31-C35 PolarHBondContact O-N 2.82Å; L31-I59 HydrophobicContact CD1-CG2 4.04Å; L31-I59 HydrophobicContact CD2-CG1 4.32Å; L31-I59 HydrophobicContact CG-CG2 4.3Å; L31-T61 HydrophobicContact CD1-CG2 4.36Å |
| 32 | A | 93.4 | Very high | 94.1 | Very high | 6 Ų | 6 | 46.6 Ų | 46.6 | 5% | 0.05 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -55.1 | -41.2 | 173.3 | 0 | 0 | 0 | 0 | 0 | 113.1 | M21 A24 L25 G28 A34 C35 | M21-A32 HydrophobicContact SD-CB 4.19Å; A24-A32 HydrophobicContact CB-CB 4.36Å; L25-A32 HydrophobicContact CB-CB 4.26Å; L25-A32 HydrophobicContact CD2-CB 3.32Å; L25-A32 HydrophobicContact CG-CB 3.54Å; G28-A32 PolarHBondContact O-N 3.09Å; G28-A32 VanDerWaalsContact O-N 3.15Å; A32-A34 PolarHBondContact O-N 2.93Å; A32-C35 WeakPolarHBondContact O-CB 3.36Å; A32-C35 PolarHBondContact O-N 2.95Å |
| 33 | K | 93.5 | Very high | 94 | Very high | 151 Ų | 151 | 50.5 Ų | 50.5 | 66% | 0.657 | 29% | 0.293 | S | S | * | . | H | α-helix | trans | -65.2 | -27.9 | 176.1 | -172.1 | 173.5 | -178.5 | 175.9 | 0 | 113 | P29 L31 R191 F192 | P29-K33 WeakPolarHBondContact O-CB 3.43Å; P29-K33 PolarHBondContact O-N 3.1Å; L31-K33 VanDerWaalsContact C-N 3.27Å; L31-K33 PolarHBondContact O-N 2.88Å; K33-R191 PolarHBondContact O-NH1 2.86Å; K33-R191 VanDerWaalsContact O-NH1 3.08Å; K33-F192 VanDerWaalsContact O-CZ 3.23Å; K33-F192 WeakPolarHBondContact O-CZ 3.48Å |
| 34 | A | 95 | Very high | 94.1 | Very high | 39 Ų | 39 | 53.3 Ų | 53.3 | 32% | 0.322 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -94.7 | -11.4 | 179.9 | 0 | 0 | 0 | 0 | 0 | 114 | G30 L31 A32 I36 T61 | G30-A34 PolarHBondContact O-N 2.89Å; L31-A34 CarbonylContact O-C 3.31Å; L31-A34 WeakPolarHBondContact O-CA 3.45Å; L31-A34 PolarHBondContact O-N 3.15Å; A32-A34 PolarHBondContact O-N 2.93Å; A34-I36 PolarHBondContact O-N 3.46Å; A34-T61 HydrophobicContact CB-CG2 4.46Å |
| 35 | C | 96.5 | Very high | 94.1 | Very high | 0 Ų | 0 | 54.6 Ų | 54.6 | 0% | 0 | 32% | 0.316 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -65 | 122.8 | 179.6 | -177.4 | 0 | 0 | 0 | 0 | 110.9 | M21 A24 L31 A32 I59 F192 | M21-C35 HydrophobicContact CE-CB 4Å; M21-C35 HydrophobicContact SD-CB 4.22Å; A24-C35 HydrophobicContact CB-CB 4.05Å; L31-C35 PolarHBondContact O-N 2.82Å; A32-C35 WeakPolarHBondContact O-CB 3.36Å; A32-C35 PolarHBondContact O-N 2.95Å; C35-I59 HydrophobicContact CB-CG2 4.08Å; C35-F192 WeakPolarHBondContact O-CZ 3.4Å |
| 36 | I | 96.9 | Very high | 94.2 | Very high | 0 Ų | 0 | 50.5 Ų | 50.5 | 0% | 0 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106 | -43.3 | 174.3 | -69 | -178.2 | 0 | 0 | 0 | 110.4 | A34 I60 A62 I70 I71 V187 P188 F192 | A34-I36 PolarHBondContact O-N 3.46Å; I36-I60 PolarHBondContact N-O 2.98Å; I36-A62 HydrophobicContact CD1-CB 3.83Å; I36-I70 HydrophobicContact CG2-CB 3.95Å; I36-I70 HydrophobicContact CG2-CD1 4.18Å; I36-I70 HydrophobicContact CG2-CG2 3.51Å; I36-I71 HydrophobicContact CD1-CD1 3.74Å; I36-I71 HydrophobicContact CD1-CG1 3.9Å; I36-V187 HydrophobicContact CG2-CG1 4.12Å; I36-P188 VanDerWaalsContact O-CD 3.32Å; I36-P188 WeakPolarHBondContact O-CD 3.5Å; I36-F192 HydrophobicContact CD1-CD1 4Å; I36-F192 HydrophobicContact CD1-CE1 4.35Å; I36-F192 HydrophobicContact CD1-CG 4.3Å; I36-F192 HydrophobicContact CG1-CD1 3.92Å; I36-F192 HydrophobicContact CG1-CD2 4.31Å; I36-F192 HydrophobicContact CG1-CE1 3.88Å; I36-F192 HydrophobicContact CG1-CE2 4.29Å; I36-F192 HydrophobicContact CG1-CG 4.13Å; I36-F192 HydrophobicContact CG1-CZ 4.06Å |
| 37 | A | 97.1 | Very high | 94.4 | Very high | 0 Ų | 0 | 46.8 Ų | 46.8 | 0% | 0 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -157.2 | 175.4 | -176.8 | 0 | 0 | 0 | 0 | 0 | 110.3 | V45 I60 I70 P185 | A37-V45 WeakPolarHBondContact CB-O 3.28Å; A37-I60 HydrophobicContact CB-CB 4.15Å; A37-I60 PolarHBondContact N-O 3.32Å; A37-I60 PolarHBondContact O-N 3.2Å; A37-I70 HydrophobicContact CB-CD1 3.55Å; A37-P185 HydrophobicContact CB-CB 4.36Å; A37-P185 HydrophobicContact CB-CG 4.26Å |
| 38 | G | 95.9 | Very high | 94.5 | Very high | 0 Ų | 0 | 47.1 Ų | 47.1 | 0% | 0 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.3 | 154.9 | 169.1 | 0 | 0 | 0 | 0 | 0 | 111.4 | L44 V45 S58 | G38-L44 WeakPolarHBondContact O-CA 3.21Å; G38-V45 PolarHBondContact N-O 3.07Å; G38-V45 PolarHBondContact O-N 3.5Å; G38-S58 CarbonylContact C-O 3.5Å; G38-S58 WeakPolarHBondContact CA-O 3.44Å |
| 39 | R | 95.7 | Very high | 94.5 | Very high | 70 Ų | 70 | 47.4 Ų | 47.4 | 26% | 0.264 | 28% | 0.28 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.3 | 109.9 | 160.9 | -176.3 | -175.5 | -66.6 | -82.4 | 5.1 | 107.9 | G42 E43 L44 L57 S58 I60 E66 | R39-G42 PolarHBondContact NH1-O 3.2Å; R39-E43 CarbonylContact C-O 3.53Å; R39-E43 VanDerWaalsContact CA-O 3.24Å; R39-E43 WeakPolarHBondContact CA-O 3.46Å; R39-L44 HydrophobicContact CB-CD2 4.19Å; R39-L57 CarbonylContact O-C 3.59Å; R39-L57 VanDerWaalsContact O-CA 3.31Å; R39-L57 WeakPolarHBondContact O-CA 3.34Å; R39-S58 PolarHBondContact N-O 3.42Å; R39-S58 PolarHBondContact O-N 2.89Å; R39-I60 HydrophobicContact CB-CD1 4.32Å; R39-E66 IonicContact CZ-OE1 3.88Å; R39-E66 IonicContact NH2-OE1 3.13Å; R39-E66 PolarHBondContact NH2-OE1 2.9Å |
| 40 | V | 95 | Very high | 94.6 | Very high | 22 Ų | 22 | 47.6 Ų | 47.6 | 13% | 0.133 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.2 | 116.3 | -176.6 | 178.5 | 0 | 0 | 0 | 0 | 108.2 | G42 E43 V45 I51 A55 Q56 L57 | V40-G42 PolarHBondContact O-N 2.84Å; V40-G42 VanDerWaalsContact O-N 3.15Å; V40-E43 PolarHBondContact N-O 2.83Å; V40-E43 PolarHBondContact O-N 2.96Å; V40-V45 HydrophobicContact CB-CG1 4.39Å; V40-V45 HydrophobicContact CB-CG2 4.21Å; V40-V45 HydrophobicContact CG2-CG2 3.51Å; V40-I51 HydrophobicContact CG1-CD1 4.47Å; V40-I51 HydrophobicContact CG1-CG1 4.43Å; V40-I51 HydrophobicContact CG1-CG2 4.48Å; V40-I51 HydrophobicContact CG2-CD1 3.59Å; V40-I51 HydrophobicContact CG2-CG1 3.99Å; V40-A55 HydrophobicContact CG1-CB 3.63Å; V40-Q56 CarbonylContact C-O 3.58Å; V40-Q56 VanDerWaalsContact CA-O 3.32Å; V40-Q56 WeakPolarHBondContact CA-O 3.21Å; V40-L57 HydrophobicContact CG2-CD1 3.7Å |
| 41 | N | 93 | Very high | 94.6 | Very high | 101 Ų | 101 | 45.3 Ų | 45.3 | 54% | 0.54 | 25% | 0.248 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 51.4 | 36.9 | -177.7 | -63 | -26.4 | 0 | 0 | 0 | 113.8 | A55 Q56 | N41-A55 WeakPolarHBondContact OD1-CA 3.46Å; N41-Q56 PolarHBondContact N-O 3.36Å; N41-Q56 PolarHBondContact OD1-N 3.38Å |
| 42 | G | 90.7 | Very high | 94.6 | Very high | 48 Ų | 48 | 49.1 Ų | 49.1 | 50% | 0.495 | 27% | 0.265 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 91.9 | -21.1 | -179 | 0 | 0 | 0 | 0 | 0 | 114.8 | R39 V40 | R39-G42 PolarHBondContact NH1-O 3.2Å; V40-G42 PolarHBondContact O-N 2.84Å; V40-G42 VanDerWaalsContact O-N 3.15Å |
| 43 | E | 93.2 | Very high | 94.5 | Very high | 149 Ų | 149 | 54.7 Ų | 54.7 | 70% | 0.696 | 29% | 0.293 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -89.5 | 139.4 | -178.8 | -63 | -170.4 | 163.7 | 0 | 0 | 112.4 | R39 V40 | R39-E43 CarbonylContact C-O 3.53Å; R39-E43 VanDerWaalsContact CA-O 3.24Å; R39-E43 WeakPolarHBondContact CA-O 3.46Å; V40-E43 PolarHBondContact N-O 2.83Å; V40-E43 PolarHBondContact O-N 2.96Å |
| 44 | L | 94.9 | Very high | 94.5 | Very high | 60 Ų | 60 | 52.1 Ų | 52.1 | 31% | 0.314 | 29% | 0.287 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.8 | 128.1 | 175.8 | -69.3 | 174.3 | 0 | 0 | 0 | 110.4 | G38 R39 I60 E66 P185 | G38-L44 WeakPolarHBondContact O-CA 3.21Å; R39-L44 HydrophobicContact CB-CD2 4.19Å; L44-I60 HydrophobicContact CD2-CD1 4.33Å; L44-I60 HydrophobicContact CD2-CG1 4.02Å; L44-E66 HydrophobicContact CD1-CB 4.18Å; L44-E66 HydrophobicContact CD1-CG 4.29Å; L44-E66 HydrophobicContact CD2-CB 4.4Å; L44-P185 HydrophobicContact CB-CG 4.12Å |
| 45 | V | 95.1 | Very high | 94.4 | Very high | 26 Ų | 26 | 50.6 Ų | 50.6 | 16% | 0.158 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.9 | 155 | -178.6 | -59.6 | 0 | 0 | 0 | 0 | 111 | P20 A37 G38 V40 D49 | P20-V45 HydrophobicContact CG-CG2 3.94Å; A37-V45 WeakPolarHBondContact CB-O 3.28Å; G38-V45 PolarHBondContact N-O 3.07Å; G38-V45 PolarHBondContact O-N 3.5Å; V40-V45 HydrophobicContact CB-CG1 4.39Å; V40-V45 HydrophobicContact CB-CG2 4.21Å; V40-V45 HydrophobicContact CG2-CG2 3.51Å; V45-D49 HydrophobicContact CB-CB 4.15Å |
| 46 | D | 96.5 | Very high | 94.4 | Very high | 7 Ų | 7 | 57 Ų | 57 | 4% | 0.037 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.5 | 153.3 | 176.6 | -72.6 | -90.2 | 0 | 0 | 0 | 110.8 | C48 D49 K136 Y173 P185 H186 | D46-C48 PolarHBondContact O-N 3.26Å; D46-D49 PolarHBondContact N-OD2 3.49Å; D46-D49 PolarHBondContact O-N 3.42Å; D46-K136 HydrophobicContact CB-CD 4.02Å; D46-K136 WeakPolarHBondContact OD2-CD 3.41Å; D46-K136 WeakPolarHBondContact OD2-CE 3.37Å; D46-K136 IonicContact OD2-NZ 3.55Å; D46-K136 PolarHBondContact OD2-NZ 2.88Å; D46-Y173 PolarHBondContact OD2-OH 3.12Å; D46-P185 HydrophobicContact CB-CB 4.35Å; D46-P185 WeakPolarHBondContact OD1-CA 3.18Å; D46-H186 PolarHBondContact OD1-N 3.3Å |
| 47 | A | 96.2 | Very high | 94.3 | Very high | 3 Ų | 3 | 57.1 Ų | 57.1 | 3% | 0.025 | 31% | 0.305 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -61.7 | -17.9 | -179.6 | 0 | 0 | 0 | 0 | 0 | 113.9 | S19 P20 M21 P188 | S19-A47 WeakPolarHBondContact CB-O 3.43Å; S19-A47 PolarHBondContact OG-O 3.21Å; P20-A47 WeakPolarHBondContact CD-O 3.5Å; M21-A47 HydrophobicContact CB-CB 4.34Å; M21-A47 WeakPolarHBondContact CB-O 3.43Å; M21-A47 HydrophobicContact CE-CB 3.97Å; M21-A47 PolarHBondContact N-O 3.12Å; A47-P188 HydrophobicContact CB-CB 4.31Å; A47-P188 HydrophobicContact CB-CG 4.36Å |
| 48 | C | 94.3 | Very high | 94.2 | Very high | 72 Ų | 72 | 59.1 Ų | 59.1 | 49% | 0.486 | 32% | 0.319 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -100.2 | -3.6 | 177.8 | 61.8 | 0 | 0 | 0 | 0 | 114.6 | D46 L50 | D46-C48 PolarHBondContact O-N 3.26Å; C48-L50 PolarHBondContact O-N 2.91Å |
| 49 | D | 93.8 | Very high | 94.2 | Very high | 23 Ų | 23 | 60.2 Ų | 60.2 | 12% | 0.123 | 33% | 0.325 | C | S | . | . | trans | -68.1 | 131.3 | 178.3 | -77.9 | -35 | 0 | 0 | 0 | 109.9 | S19 P20 V45 D46 K136 K138 | S19-D49 WeakPolarHBondContact CA-O 3.5Å; P20-D49 WeakPolarHBondContact CD-O 3.41Å; V45-D49 HydrophobicContact CB-CB 4.15Å; D46-D49 PolarHBondContact N-OD2 3.49Å; D46-D49 PolarHBondContact O-N 3.42Å; D49-K136 WeakPolarHBondContact OD1-CE 3.42Å; D49-K136 IonicContact OD1-NZ 2.78Å; D49-K136 PolarHBondContact OD1-NZ 2.86Å; D49-K136 IonicContact OD2-NZ 2.8Å; D49-K136 PolarHBondContact OD2-NZ 3.31Å; D49-K138 IonicContact OD1-NZ 3.59Å | ||
| 50 | L | 93.9 | Very high | 94.2 | Very high | 111 Ų | 111 | 57.1 Ų | 57.1 | 58% | 0.581 | 31% | 0.313 | S | S | * | . | trans | -78.2 | 136.6 | -178.9 | -65.7 | 175.5 | 0 | 0 | 0 | 111.5 | A17 C48 | A17-L50 HydrophobicContact CB-CB 4.4Å; C48-L50 PolarHBondContact O-N 2.91Å | ||
| 51 | I | 93.8 | Very high | 94.3 | Very high | 11 Ų | 11 | 57.2 Ų | 57.2 | 6% | 0.056 | 31% | 0.314 | C | S | . | . | B | Isolated β-bridge | trans | -104.2 | 110.9 | 173.2 | -52.7 | 169.3 | 0 | 0 | 0 | 107.2 | I4 A17 V18 P20 V40 N53 A55 L57 | I4-I51 HydrophobicContact CD1-CB 4.33Å; I4-I51 HydrophobicContact CD1-CD1 4.18Å; I4-I51 HydrophobicContact CD1-CG2 3.7Å; A17-I51 WeakPolarHBondContact CA-O 3.34Å; V18-I51 PolarHBondContact N-O 2.92Å; V18-I51 WeakPolarHBondContact O-CB 3.25Å; V18-I51 PolarHBondContact O-N 3.26Å; P20-I51 HydrophobicContact CG-CD1 4.37Å; V40-I51 HydrophobicContact CG1-CD1 4.47Å; V40-I51 HydrophobicContact CG1-CG1 4.43Å; V40-I51 HydrophobicContact CG1-CG2 4.48Å; V40-I51 HydrophobicContact CG2-CD1 3.59Å; V40-I51 HydrophobicContact CG2-CG1 3.99Å; I51-N53 VanDerWaalsContact CG2-O 3.28Å; I51-N53 WeakPolarHBondContact CG2-O 3.41Å; I51-A55 HydrophobicContact CG2-CB 3.94Å; I51-L57 HydrophobicContact CD1-CD1 4.26Å; I51-L57 HydrophobicContact CD1-CD2 4.33Å |
| 52 | E | 92.3 | Very high | 94.3 | Very high | 132 Ų | 132 | 53.7 Ų | 53.7 | 62% | 0.617 | 30% | 0.299 | S | S | * | . | trans | -96.6 | -26.2 | -176.6 | -62.9 | -177.5 | 177.2 | 0 | 0 | 113.1 | A17 | A17-E52 HydrophobicContact CB-CG 3.92Š| ||
| 53 | N | 91.7 | Very high | 94.3 | Very high | 123 Ų | 123 | 60.7 Ų | 60.7 | 66% | 0.658 | 32% | 0.316 | S | S | * | . | S | Bend | trans | -112.7 | 164.8 | -176.1 | -58.2 | -49.6 | 0 | 0 | 0 | 111.3 | P2 I51 A55 | P2-N53 WeakPolarHBondContact CB-O 3.2Å; I51-N53 VanDerWaalsContact CG2-O 3.28Å; I51-N53 WeakPolarHBondContact CG2-O 3.41Å; N53-A55 PolarHBondContact O-N 3.39Å |
| 54 | D | 93.3 | Very high | 94.3 | Very high | 98 Ų | 98 | 56.4 Ų | 56.4 | 52% | 0.524 | 30% | 0.298 | S | S | . | . | trans | -56.5 | 133.2 | 173.3 | -63.4 | -0.3 | 0 | 0 | 0 | 110.7 | P2 V3 | P2-D54 WeakPolarHBondContact CA-OD1 3.32Å; V3-D54 HydrophobicContact CB-CB 4.36Å; V3-D54 PolarHBondContact N-OD1 3.23Å; V3-D54 WeakPolarHBondContact O-CA 3.33Å | ||
| 55 | A | 93.8 | Very high | 94.1 | Very high | 7 Ų | 7 | 61.5 Ų | 61.5 | 6% | 0.058 | 32% | 0.32 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -153.9 | 153 | -174.9 | 0 | 0 | 0 | 0 | 0 | 113.3 | V3 I4 T5 V40 N41 I51 N53 | V3-A55 PolarHBondContact O-N 3.4Å; V3-A55 VanDerWaalsContact O-N 3.08Å; I4-A55 WeakPolarHBondContact CA-O 3.26Å; I4-A55 HydrophobicContact CD1-CB 4.45Å; T5-A55 PolarHBondContact N-O 3.43Å; V40-A55 HydrophobicContact CG1-CB 3.63Å; N41-A55 WeakPolarHBondContact OD1-CA 3.46Å; I51-A55 HydrophobicContact CG2-CB 3.94Å; N53-A55 PolarHBondContact O-N 3.39Å |
| 56 | Q | 94.7 | Very high | 94.1 | Very high | 133 Ų | 133 | 63 Ų | 63 | 62% | 0.621 | 33% | 0.325 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -84.1 | 122.9 | 165.1 | -64.4 | -177.3 | -1.4 | 0 | 0 | 109 | T5 V40 N41 | T5-Q56 CarbonylContact O-C 3.51Å; T5-Q56 WeakPolarHBondContact O-CA 3.46Å; V40-Q56 CarbonylContact C-O 3.58Å; V40-Q56 VanDerWaalsContact CA-O 3.32Å; V40-Q56 WeakPolarHBondContact CA-O 3.21Å; N41-Q56 PolarHBondContact N-O 3.36Å; N41-Q56 PolarHBondContact OD1-N 3.38Å |
| 57 | L | 95.1 | Very high | 94 | Very high | 3 Ų | 3 | 62.7 Ų | 62.7 | 2% | 0.016 | 32% | 0.323 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.3 | 128 | -178.6 | 177.2 | 65.7 | 0 | 0 | 0 | 110.9 | I4 T5 P7 P20 V23 R39 V40 I51 I59 | I4-L57 HydrophobicContact CG2-CB 3.54Å; I4-L57 HydrophobicContact CG2-CD2 3.9Å; I4-L57 HydrophobicContact CG2-CG 4.38Å; T5-L57 PolarHBondContact O-N 3.04Å; P7-L57 WeakPolarHBondContact CD-O 3.45Å; P20-L57 HydrophobicContact CB-CD1 4.16Å; P20-L57 HydrophobicContact CG-CD1 4.18Å; V23-L57 HydrophobicContact CB-CD2 3.73Å; V23-L57 HydrophobicContact CG1-CD2 3.76Å; V23-L57 HydrophobicContact CG2-CD2 3.83Å; R39-L57 CarbonylContact O-C 3.59Å; R39-L57 VanDerWaalsContact O-CA 3.31Å; R39-L57 WeakPolarHBondContact O-CA 3.34Å; V40-L57 HydrophobicContact CG2-CD1 3.7Å; I51-L57 HydrophobicContact CD1-CD1 4.26Å; I51-L57 HydrophobicContact CD1-CD2 4.33Å; L57-I59 HydrophobicContact CD1-CD1 4.37Å; L57-I59 HydrophobicContact CD2-CD1 3.92Å; L57-I59 HydrophobicContact CG-CD1 4.16Å |
| 58 | S | 94.7 | Very high | 93.9 | Very high | 43 Ų | 43 | 63.9 Ų | 63.9 | 30% | 0.301 | 33% | 0.329 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115 | 133.1 | 162.4 | -173.2 | 0 | 0 | 0 | 0 | 110.4 | G38 R39 | G38-S58 CarbonylContact C-O 3.5Å; G38-S58 WeakPolarHBondContact CA-O 3.44Å; R39-S58 PolarHBondContact N-O 3.42Å; R39-S58 PolarHBondContact O-N 2.89Å |
| 59 | I | 96.2 | Very high | 94 | Very high | 22 Ų | 22 | 65.2 Ų | 65.2 | 11% | 0.113 | 33% | 0.328 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.5 | 121.7 | 177.5 | -59.8 | -59.2 | 0 | 0 | 0 | 109.2 | P20 A24 L31 C35 L57 T61 | P20-I59 HydrophobicContact CB-CD1 4.18Å; P20-I59 WeakPolarHBondContact O-CD1 3.34Å; A24-I59 HydrophobicContact CB-CD1 4.15Å; A24-I59 HydrophobicContact CB-CG1 4.42Å; L31-I59 HydrophobicContact CD1-CG2 4.04Å; L31-I59 HydrophobicContact CD2-CG1 4.32Å; L31-I59 HydrophobicContact CG-CG2 4.3Å; C35-I59 HydrophobicContact CB-CG2 4.08Å; L57-I59 HydrophobicContact CD1-CD1 4.37Å; L57-I59 HydrophobicContact CD2-CD1 3.92Å; L57-I59 HydrophobicContact CG-CD1 4.16Å; I59-T61 HydrophobicContact CG2-CG2 4.37Å |
| 60 | I | 96.7 | Very high | 94.1 | Very high | 5 Ų | 5 | 64.4 Ų | 64.4 | 3% | 0.026 | 32% | 0.324 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.8 | 131.2 | 177.2 | -54.7 | -58.5 | 0 | 0 | 0 | 109.4 | I36 A37 R39 L44 D64 E66 I70 | I36-I60 PolarHBondContact N-O 2.98Å; A37-I60 HydrophobicContact CB-CB 4.15Å; A37-I60 PolarHBondContact N-O 3.32Å; A37-I60 PolarHBondContact O-N 3.2Å; R39-I60 HydrophobicContact CB-CD1 4.32Å; L44-I60 HydrophobicContact CD2-CD1 4.33Å; L44-I60 HydrophobicContact CD2-CG1 4.02Å; I60-D64 HydrophobicContact CG2-CB 4.2Å; I60-E66 HydrophobicContact CG2-CB 4.35Å; I60-I70 HydrophobicContact CG2-CD1 4.38Å |
| 61 | T | 96.1 | Very high | 94.2 | Very high | 24 Ų | 24 | 59.1 Ų | 59.1 | 15% | 0.147 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.6 | 173 | -178.6 | 73.5 | 0 | 0 | 0 | 0 | 111.2 | L31 A34 I59 K63 D64 G67 | L31-T61 HydrophobicContact CD1-CG2 4.36Å; A34-T61 HydrophobicContact CB-CG2 4.46Å; I59-T61 HydrophobicContact CG2-CG2 4.37Å; T61-K63 PolarHBondContact O-N 3.12Å; T61-K63 PolarHBondContact OG1-N 2.96Å; T61-D64 WeakPolarHBondContact CA-OD2 3.35Å; T61-D64 WeakPolarHBondContact CB-OD2 3.45Å; T61-D64 PolarHBondContact N-OD2 2.87Å; T61-D64 PolarHBondContact O-N 3.32Å; T61-D64 VanDerWaalsContact O-N 3.16Å; T61-D64 PolarHBondContact OG1-OD2 3.27Å; T61-G67 WeakPolarHBondContact O-CA 3.48Å |
| 62 | A | 93.4 | Very high | 94.4 | Very high | 28 Ų | 28 | 59.6 Ų | 59.6 | 23% | 0.231 | 30% | 0.297 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -63.3 | -6.8 | 176.8 | 0 | 0 | 0 | 0 | 0 | 114.8 | I36 I71 A224 | I36-A62 HydrophobicContact CD1-CB 3.83Å; A62-I71 HydrophobicContact CB-CD1 4.09Å; A62-A224 HydrophobicContact CB-CB 3.99Å; A62-A224 WeakPolarHBondContact O-CB 3.37Å |
| 63 | K | 91.4 | Very high | 94.6 | Very high | 195 Ų | 195 | 54.7 Ų | 54.7 | 85% | 0.848 | 28% | 0.275 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -89.3 | -20.5 | 178.7 | -64.1 | -178.5 | -177.2 | 172.9 | 0 | 113 | T61 | T61-K63 PolarHBondContact O-N 3.12Å; T61-K63 PolarHBondContact OG1-N 2.96Å |
| 64 | D | 93.1 | Very high | 94.8 | Very high | 59 Ų | 59 | 48.9 Ų | 48.9 | 32% | 0.316 | 24% | 0.243 | S | C | . | . | S | Bend | trans | -83.7 | 151.6 | -177.6 | -51.1 | -63.3 | 0 | 0 | 0 | 109.5 | I60 T61 E66 G67 L68 | I60-D64 HydrophobicContact CG2-CB 4.2Å; T61-D64 WeakPolarHBondContact CA-OD2 3.35Å; T61-D64 WeakPolarHBondContact CB-OD2 3.45Å; T61-D64 PolarHBondContact N-OD2 2.87Å; T61-D64 PolarHBondContact O-N 3.32Å; T61-D64 VanDerWaalsContact O-N 3.16Å; T61-D64 PolarHBondContact OG1-OD2 3.27Å; D64-E66 VanDerWaalsContact C-N 3.32Å; D64-E66 PolarHBondContact O-N 2.98Å; D64-G67 PolarHBondContact O-N 2.82Å; D64-L68 PolarHBondContact O-N 3.23Å; D64-L68 VanDerWaalsContact O-N 3.08Å |
| 65 | E | 91.2 | Very high | 95 | Very high | 166 Ų | 166 | 44.2 Ų | 44.2 | 78% | 0.776 | 22% | 0.219 | S | C | * | . | H | α-helix | trans | -64.2 | -41.7 | -178.1 | -176 | 168.1 | -169 | 0 | 0 | 110.9 | G67 L68 E69 | E65-G67 VanDerWaalsContact C-N 3.3Å; E65-G67 PolarHBondContact O-N 3.16Å; E65-L68 WeakPolarHBondContact O-CB 3.32Å; E65-L68 PolarHBondContact O-N 2.98Å; E65-L68 VanDerWaalsContact O-N 3.14Å; E65-E69 PolarHBondContact O-N 2.91Å |
| 66 | E | 93.2 | Very high | 95.2 | Very high | 58 Ų | 58 | 43.9 Ų | 43.9 | 27% | 0.271 | 22% | 0.216 | S | C | . | . | H | α-helix | trans | -64.1 | -37.4 | 174.9 | -53.5 | 94.3 | 139.4 | 0 | 0 | 110.9 | R39 L44 I60 D64 L68 E69 I70 | R39-E66 IonicContact CZ-OE1 3.88Å; R39-E66 IonicContact NH2-OE1 3.13Å; R39-E66 PolarHBondContact NH2-OE1 2.9Å; L44-E66 HydrophobicContact CD1-CB 4.18Å; L44-E66 HydrophobicContact CD1-CG 4.29Å; L44-E66 HydrophobicContact CD2-CB 4.4Å; I60-E66 HydrophobicContact CG2-CB 4.35Å; D64-E66 VanDerWaalsContact C-N 3.32Å; D64-E66 PolarHBondContact O-N 2.98Å; E66-L68 VanDerWaalsContact C-N 3.3Å; E66-L68 PolarHBondContact O-N 2.9Å; E66-E69 WeakPolarHBondContact O-CB 3.46Å; E66-E69 PolarHBondContact O-N 3.08Å; E66-I70 WeakPolarHBondContact O-CD1 3.3Å; E66-I70 WeakPolarHBondContact O-CG1 3.31Å; E66-I70 PolarHBondContact O-N 3.3Å |
| 67 | G | 95.3 | Very high | 95.2 | Very high | 0 Ų | 0 | 37.8 Ų | 37.8 | 0% | 0 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -62.7 | -37.5 | 174.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | T61 D64 E65 I71 | T61-G67 WeakPolarHBondContact O-CA 3.48Å; D64-G67 PolarHBondContact O-N 2.82Å; E65-G67 VanDerWaalsContact C-N 3.3Å; E65-G67 PolarHBondContact O-N 3.16Å; G67-I71 VanDerWaalsContact O-CG1 3.3Å; G67-I71 WeakPolarHBondContact O-CG1 3.41Å; G67-I71 PolarHBondContact O-N 3.36Å; G67-I71 VanDerWaalsContact O-N 3.08Å |
| 68 | L | 94.5 | Very high | 95.3 | Very high | 28 Ų | 28 | 37.6 Ų | 37.6 | 15% | 0.147 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -69.5 | -38.9 | 174 | 178.9 | 60.1 | 0 | 0 | 0 | 112.1 | D64 E65 E66 I70 I71 R72 W223 | D64-L68 PolarHBondContact O-N 3.23Å; D64-L68 VanDerWaalsContact O-N 3.08Å; E65-L68 WeakPolarHBondContact O-CB 3.32Å; E65-L68 PolarHBondContact O-N 2.98Å; E65-L68 VanDerWaalsContact O-N 3.14Å; E66-L68 VanDerWaalsContact C-N 3.3Å; E66-L68 PolarHBondContact O-N 2.9Å; L68-I70 VanDerWaalsContact C-N 3.35Å; L68-I71 PolarHBondContact O-N 3.12Å; L68-R72 WeakPolarHBondContact O-CG 3.42Å; L68-R72 PolarHBondContact O-N 3.42Å; L68-W223 HydrophobicContact CD2-CE3 4.23Å; L68-W223 HydrophobicContact CD2-CZ3 4.23Å |
| 69 | E | 95.3 | Very high | 95.5 | Very high | 100 Ų | 100 | 35.6 Ų | 35.6 | 47% | 0.467 | 17% | 0.172 | S | C | . | . | H | α-helix | trans | -58.1 | -46.8 | 172.9 | -159.6 | -174.5 | 155.3 | 0 | 0 | 111.2 | E65 E66 I71 R72 H73 V97 | E65-E69 PolarHBondContact O-N 2.91Å; E66-E69 WeakPolarHBondContact O-CB 3.46Å; E66-E69 PolarHBondContact O-N 3.08Å; E69-I71 PolarHBondContact O-N 3.27Å; E69-R72 WeakPolarHBondContact O-CB 3.27Å; E69-R72 PolarHBondContact O-N 2.81Å; E69-R72 VanDerWaalsContact O-N 3.13Å; E69-H73 PolarHBondContact O-N 3.37Å; E69-V97 HydrophobicContact CG-CB 4.21Å; E69-V97 HydrophobicContact CG-CG1 3.69Å; E69-V97 HydrophobicContact CG-CG2 4.36Å |
| 70 | I | 96.6 | Very high | 95.5 | Very high | 6 Ų | 6 | 34.5 Ų | 34.5 | 3% | 0.031 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -64.1 | -39 | 178.6 | -65 | 162.8 | 0 | 0 | 0 | 112.1 | I36 A37 I60 E66 L68 R72 H73 S74 P185 V187 | I36-I70 HydrophobicContact CG2-CB 3.95Å; I36-I70 HydrophobicContact CG2-CD1 4.18Å; I36-I70 HydrophobicContact CG2-CG2 3.51Å; A37-I70 HydrophobicContact CB-CD1 3.55Å; I60-I70 HydrophobicContact CG2-CD1 4.38Å; E66-I70 WeakPolarHBondContact O-CD1 3.3Å; E66-I70 WeakPolarHBondContact O-CG1 3.31Å; E66-I70 PolarHBondContact O-N 3.3Å; L68-I70 VanDerWaalsContact C-N 3.35Å; I70-R72 VanDerWaalsContact C-N 3.35Å; I70-H73 PolarHBondContact O-N 2.88Å; I70-S74 WeakPolarHBondContact O-CB 3.26Å; I70-S74 PolarHBondContact O-N 2.72Å; I70-S74 PolarHBondContact O-OG 3.37Å; I70-P185 HydrophobicContact CD1-CG 3.66Å; I70-P185 HydrophobicContact CG1-CG 3.89Å; I70-V187 HydrophobicContact CG2-CG1 4.09Å |
| 71 | I | 96.8 | Very high | 95.5 | Very high | 1 Ų | 1 | 34.3 Ų | 34.3 | 1% | 0.005 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -59.9 | -46.3 | 172.8 | -72.3 | 164.6 | 0 | 0 | 0 | 110.3 | I36 A62 G67 L68 E69 H73 S74 C75 V187 F192 A222 A224 | I36-I71 HydrophobicContact CD1-CD1 3.74Å; I36-I71 HydrophobicContact CD1-CG1 3.9Å; A62-I71 HydrophobicContact CB-CD1 4.09Å; G67-I71 VanDerWaalsContact O-CG1 3.3Å; G67-I71 WeakPolarHBondContact O-CG1 3.41Å; G67-I71 PolarHBondContact O-N 3.36Å; G67-I71 VanDerWaalsContact O-N 3.08Å; L68-I71 PolarHBondContact O-N 3.12Å; E69-I71 PolarHBondContact O-N 3.27Å; I71-H73 VanDerWaalsContact C-N 3.34Å; I71-H73 PolarHBondContact O-N 3.47Å; I71-S74 PolarHBondContact O-N 2.78Å; I71-C75 WeakPolarHBondContact O-CB 3.43Å; I71-C75 PolarHBondContact O-N 2.77Å; I71-C75 PolarHBondContact O-SG 2.78Å; I71-V187 HydrophobicContact CG1-CG1 4Å; I71-F192 HydrophobicContact CG1-CB 4.25Å; I71-A222 HydrophobicContact CG2-CB 4.03Å; I71-A224 HydrophobicContact CD1-CB 4.49Å |
| 72 | R | 97 | Very high | 95.6 | Very high | 20 Ų | 20 | 33.2 Ų | 33.2 | 8% | 0.075 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -63.3 | -42.3 | 178.9 | -69.7 | 162.9 | 179.5 | 175.7 | -4.2 | 111.4 | L68 E69 I70 S74 C75 A76 V97 D99 F102 A222 | L68-R72 WeakPolarHBondContact O-CG 3.42Å; L68-R72 PolarHBondContact O-N 3.42Å; E69-R72 WeakPolarHBondContact O-CB 3.27Å; E69-R72 PolarHBondContact O-N 2.81Å; E69-R72 VanDerWaalsContact O-N 3.13Å; I70-R72 VanDerWaalsContact C-N 3.35Å; R72-S74 VanDerWaalsContact C-N 3.34Å; R72-S74 PolarHBondContact O-N 3.27Å; R72-C75 WeakPolarHBondContact O-CB 3.38Å; R72-C75 PolarHBondContact O-N 2.87Å; R72-A76 PolarHBondContact O-N 3.28Å; R72-V97 HydrophobicContact CB-CG1 3.87Å; R72-V97 HydrophobicContact CB-CG2 4.22Å; R72-D99 VanDerWaalsContact CZ-O 3.25Å; R72-D99 VanDerWaalsContact NH1-C 3.31Å; R72-D99 PolarHBondContact NH1-O 3.5Å; R72-D99 PolarHBondContact NH2-O 2.92Å; R72-D99 VanDerWaalsContact NH2-O 3.12Å; R72-F102 HydrophobicContact CB-CD1 4.14Å; R72-F102 VanDerWaalsContact O-CD1 3.29Å; R72-F102 WeakPolarHBondContact O-CD1 3.42Å; R72-A222 HydrophobicContact CG-CB 4.03Å; R72-A222 PolarHBondContact NE-O 3.45Å |
| 73 | H | 96 | Very high | 95.7 | Very high | 30 Ų | 30 | 32 Ų | 32 | 14% | 0.139 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -60.3 | -45.4 | 176.7 | -160.8 | -179.1 | 0 | 0 | 0 | 111.7 | E69 I70 I71 C75 A76 H77 V97 C182 H186 | E69-H73 PolarHBondContact O-N 3.37Å; I70-H73 PolarHBondContact O-N 2.88Å; I71-H73 VanDerWaalsContact C-N 3.34Å; I71-H73 PolarHBondContact O-N 3.47Å; H73-C75 VanDerWaalsContact C-N 3.33Å; H73-C75 PolarHBondContact O-N 3.26Å; H73-A76 VanDerWaalsContact O-CB 3.24Å; H73-A76 WeakPolarHBondContact O-CB 3.49Å; H73-A76 PolarHBondContact O-N 2.83Å; H73-H77 PolarHBondContact O-N 2.86Å; H73-V97 HydrophobicContact CB-CG2 3.55Å; H73-C182 PolarHBondContact CE1-SG 3.12Å; H73-C182 PolarHBondContact NE2-SG 3.35Å; H73-H186 AromaticContact CD2-CE1 3.75Å; H73-H186 AromaticContact CE1-NE2 3.91Å; H73-H186 AromaticContact CG-CE1 3.73Å; H73-H186 AromaticContact ND1-CE1 3.95Å |
| 74 | S | 97.1 | Very high | 95.9 | Very high | 0 Ų | 0 | 24.3 Ų | 24.3 | 0% | 0 | 12% | 0.115 | C | C | . | . | H | α-helix | trans | -68.5 | -31.4 | 177.7 | -56 | 0 | 0 | 0 | 0 | 112.8 | I70 I71 R72 A76 H77 L78 H186 V187 | I70-S74 WeakPolarHBondContact O-CB 3.26Å; I70-S74 PolarHBondContact O-N 2.72Å; I70-S74 PolarHBondContact O-OG 3.37Å; I71-S74 PolarHBondContact O-N 2.78Å; R72-S74 VanDerWaalsContact C-N 3.34Å; R72-S74 PolarHBondContact O-N 3.27Å; S74-A76 VanDerWaalsContact C-N 3.3Å; S74-H77 PolarHBondContact O-N 2.88Å; S74-L78 PolarHBondContact O-N 3.25Å; S74-H186 WeakPolarHBondContact OG-CA 3.28Å; S74-H186 PolarHBondContact OG-ND1 2.92Å; S74-V187 PolarHBondContact OG-N 2.9Å |
| 75 | C | 97.1 | Very high | 96 | Very high | 1 Ų | 1 | 23.9 Ų | 23.9 | 1% | 0.007 | 11% | 0.111 | C | C | . | . | H | α-helix | trans | -67.2 | -28.7 | 169.8 | -76.8 | 0 | 0 | 0 | 0 | 112.9 | I71 R72 H73 L78 L79 F102 A222 | I71-C75 WeakPolarHBondContact O-CB 3.43Å; I71-C75 PolarHBondContact O-N 2.77Å; I71-C75 PolarHBondContact O-SG 2.78Å; R72-C75 WeakPolarHBondContact O-CB 3.38Å; R72-C75 PolarHBondContact O-N 2.87Å; H73-C75 VanDerWaalsContact C-N 3.33Å; H73-C75 PolarHBondContact O-N 3.26Å; C75-L78 PolarHBondContact O-N 2.8Å; C75-L79 WeakPolarHBondContact O-CB 3.46Å; C75-L79 PolarHBondContact O-N 3.19Å; C75-F102 HydrophobicContact CB-CD1 4.03Å; C75-F102 HydrophobicContact CB-CE1 3.33Å; C75-F102 HydrophobicContact CB-CE2 4.33Å; C75-F102 HydrophobicContact CB-CZ 3.51Å; C75-A222 HydrophobicContact CB-CB 4.01Å; C75-A222 VanDerWaalsContact SG-CB 3.55Å |
| 76 | A | 96.9 | Very high | 96.2 | Very high | 0 Ų | 0 | 19 Ų | 19 | 0% | 0 | 9% | 0.09 | C | C | . | . | H | α-helix | trans | -64.9 | -43.8 | 170.9 | 0 | 0 | 0 | 0 | 0 | 110.9 | R72 H73 S74 L79 G80 F102 Y104 | R72-A76 PolarHBondContact O-N 3.28Å; H73-A76 VanDerWaalsContact O-CB 3.24Å; H73-A76 WeakPolarHBondContact O-CB 3.49Å; H73-A76 PolarHBondContact O-N 2.83Å; S74-A76 VanDerWaalsContact C-N 3.3Å; A76-L79 WeakPolarHBondContact O-CB 3.18Å; A76-L79 PolarHBondContact O-N 2.88Å; A76-G80 PolarHBondContact O-N 2.94Å; A76-F102 HydrophobicContact CB-CB 4.15Å; A76-F102 HydrophobicContact CB-CD2 3.69Å; A76-F102 HydrophobicContact CB-CE2 4.4Å; A76-F102 HydrophobicContact CB-CG 4.08Å; A76-Y104 HydrophobicContact CB-CD2 4.29Å; A76-Y104 VanDerWaalsContact O-CD2 3.23Å; A76-Y104 WeakPolarHBondContact O-CD2 3.44Å |
| 77 | H | 96.7 | Very high | 96.2 | Very high | 4 Ų | 4 | 18.4 Ų | 18.4 | 2% | 0.019 | 9% | 0.085 | C | C | . | . | H | α-helix | trans | -65.5 | -38.9 | 173.8 | -75.3 | -159.1 | 0 | 0 | 0 | 112.8 | H73 S74 L79 G80 H81 H175 Y178 D180 H186 | H73-H77 PolarHBondContact O-N 2.86Å; S74-H77 PolarHBondContact O-N 2.88Å; H77-L79 VanDerWaalsContact C-N 3.26Å; H77-L79 PolarHBondContact O-N 2.76Å; H77-G80 WeakPolarHBondContact O-CA 3.24Å; H77-G80 PolarHBondContact O-N 2.81Å; H77-G80 VanDerWaalsContact O-N 3.11Å; H77-H81 PolarHBondContact O-N 3.34Å; H77-H175 VanDerWaalsContact CB-NE2 3.34Å; H77-H175 WeakPolarHBondContact CB-NE2 3.43Å; H77-H175 AromaticContact CG-NE2 3.73Å; H77-H175 AromaticContact ND1-NE2 3.29Å; H77-H175 PolarHBondContact ND1-NE2 3.17Å; H77-Y178 WeakPolarHBondContact O-CE1 3.38Å; H77-D180 IonicContact CD2-OD2 3.29Å; H77-D180 IonicContact NE2-OD2 2.89Å; H77-H186 AromaticContact CD2-CE1 3.68Å; H77-H186 AromaticContact CE1-CE1 3.14Å; H77-H186 PolarHBondContact CE1-CE1 3.07Å; H77-H186 AromaticContact CE1-NE2 3.06Å; H77-H186 PolarHBondContact CE1-NE2 3.07Å; H77-H186 AromaticContact CG-CE1 3.6Å; H77-H186 AromaticContact ND1-CE1 3.27Å; H77-H186 PolarHBondContact ND1-CE1 3.04Å; H77-H186 VanDerWaalsContact ND1-CE1 3.27Å; H77-H186 AromaticContact ND1-ND1 3.82Å; H77-H186 AromaticContact ND1-NE2 3.59Å; H77-H186 AromaticContact NE2-CE1 3.4Å; H77-H186 PolarHBondContact NE2-CE1 3.5Å; H77-H186 AromaticContact NE2-NE2 3.52Å |
| 78 | L | 97.2 | Very high | 96.1 | Very high | 0 Ų | 0 | 22.1 Ų | 22.1 | 0% | 0 | 11% | 0.109 | C | C | . | . | H | α-helix | trans | -59.3 | -38.4 | 172.8 | 179.2 | 59.6 | 0 | 0 | 0 | 112 | S74 C75 H81 A82 M124 L127 A128 M190 C193 F196 | S74-L78 PolarHBondContact O-N 3.25Å; C75-L78 PolarHBondContact O-N 2.8Å; L78-H81 PolarHBondContact O-N 3.18Å; L78-A82 WeakPolarHBondContact O-CB 3.15Å; L78-A82 PolarHBondContact O-N 3.04Å; L78-M124 HydrophobicContact CB-CE 4.41Å; L78-M124 HydrophobicContact CD2-CB 4.25Å; L78-M124 HydrophobicContact CD2-CE 4.23Å; L78-M124 HydrophobicContact CG-CB 4.18Å; L78-M124 HydrophobicContact CG-CE 4.14Å; L78-M124 HydrophobicContact CG-CG 4.33Å; L78-L127 HydrophobicContact CD1-CB 3.54Å; L78-L127 HydrophobicContact CD1-CD1 4.04Å; L78-L127 HydrophobicContact CD1-CG 4.47Å; L78-A128 HydrophobicContact CD2-CB 4.03Å; L78-M190 HydrophobicContact CB-CE 3.78Å; L78-M190 HydrophobicContact CD1-CE 3.92Å; L78-M190 HydrophobicContact CD2-CE 3.71Å; L78-M190 HydrophobicContact CG-CE 3.99Å; L78-C193 HydrophobicContact CD2-CB 4.49Å; L78-F196 HydrophobicContact CD2-CD1 4.41Å; L78-F196 HydrophobicContact CD2-CE1 3.85Å; L78-F196 HydrophobicContact CD2-CZ 4.26Å |
| 79 | L | 97.3 | Very high | 96 | Very high | 0 Ų | 0 | 29.4 Ų | 29.4 | 0% | 0 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -63.2 | -46.2 | 173 | 172 | 62.3 | 0 | 0 | 0 | 110.4 | C75 A76 H77 H81 A82 I83 F102 L120 M124 L198 I218 | C75-L79 WeakPolarHBondContact O-CB 3.46Å; C75-L79 PolarHBondContact O-N 3.19Å; A76-L79 WeakPolarHBondContact O-CB 3.18Å; A76-L79 PolarHBondContact O-N 2.88Å; H77-L79 VanDerWaalsContact C-N 3.26Å; H77-L79 PolarHBondContact O-N 2.76Å; L79-H81 PolarHBondContact O-N 3.2Å; L79-A82 PolarHBondContact O-N 3.15Å; L79-I83 HydrophobicContact CD1-CD1 3.9Å; L79-I83 HydrophobicContact CD1-CG1 4.17Å; L79-I83 HydrophobicContact CG-CD1 3.94Å; L79-I83 VanDerWaalsContact O-CG1 3.26Å; L79-I83 WeakPolarHBondContact O-CG1 3.39Å; L79-I83 PolarHBondContact O-N 2.94Å; L79-F102 HydrophobicContact CB-CE2 4.28Å; L79-F102 HydrophobicContact CD2-CE2 3.97Å; L79-L120 HydrophobicContact CD1-CD1 4.19Å; L79-L120 HydrophobicContact CD1-CD2 3.46Å; L79-L120 VanDerWaalsContact CD1-CD2 3.46Å; L79-L120 HydrophobicContact CD1-CG 3.82Å; L79-M124 HydrophobicContact CB-CE 3.78Å; L79-M124 HydrophobicContact CB-SD 3.94Å; L79-M124 HydrophobicContact CD1-SD 3.66Å; L79-M124 HydrophobicContact CG-SD 4.4Å; L79-L198 HydrophobicContact CD1-CD1 4.2Å; L79-L198 HydrophobicContact CD1-CD2 4.16Å; L79-L198 HydrophobicContact CD2-CD2 4.43Å; L79-I218 HydrophobicContact CD1-CG2 4.43Å; L79-I218 HydrophobicContact CD2-CB 4.19Å; L79-I218 HydrophobicContact CD2-CG2 4.11Å |
| 80 | G | 96.2 | Very high | 96 | Very high | 0 Ų | 0 | 24.8 Ų | 24.8 | 0% | 0 | 12% | 0.121 | C | C | . | . | H | α-helix | trans | -57.3 | -45.3 | 174.1 | 0 | 0 | 0 | 0 | 0 | 113.3 | A76 H77 A82 I83 K84 M92 | A76-G80 PolarHBondContact O-N 2.94Å; H77-G80 WeakPolarHBondContact O-CA 3.24Å; H77-G80 PolarHBondContact O-N 2.81Å; H77-G80 VanDerWaalsContact O-N 3.11Å; G80-A82 PolarHBondContact O-N 3.41Å; G80-I83 PolarHBondContact O-N 2.88Å; G80-K84 WeakPolarHBondContact O-CG 3.23Å; G80-K84 PolarHBondContact O-N 3.31Å; G80-M92 VanDerWaalsContact CA-CE 3.46Å |
| 81 | H | 97.2 | Very high | 95.9 | Very high | 1 Ų | 1 | 27.9 Ų | 27.9 | 1% | 0.005 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -57.9 | -50 | 175 | -174.1 | -177.9 | 0 | 0 | 0 | 111.5 | H77 L78 L79 I83 K84 Q85 L127 Y132 H175 E176 E177 Y178 | H77-H81 PolarHBondContact O-N 3.34Å; L78-H81 PolarHBondContact O-N 3.18Å; L79-H81 PolarHBondContact O-N 3.2Å; H81-I83 VanDerWaalsContact C-N 3.33Å; H81-I83 PolarHBondContact O-N 3.11Å; H81-K84 PolarHBondContact O-N 2.9Å; H81-Q85 PolarHBondContact NE2-NE2 2.84Å; H81-Q85 PolarHBondContact O-N 3.32Å; H81-Q85 VanDerWaalsContact O-N 3.12Å; H81-L127 HydrophobicContact CB-CD1 4.25Å; H81-Y132 AromaticContact ND1-CZ 3.86Å; H81-Y132 PolarHBondContact ND1-OH 3.19Å; H81-Y132 VanDerWaalsContact ND1-OH 3.16Å; H81-H175 PolarHBondContact CE1-O 2.88Å; H81-H175 PolarHBondContact ND1-O 3.27Å; H81-E176 IonicContact CE1-OE2 3.88Å; H81-E177 IonicContact CD2-OE1 3.48Å; H81-E177 IonicContact CE1-OE2 3.26Å; H81-E177 VanDerWaalsContact NE2-CD 3.34Å; H81-E177 IonicContact NE2-OE1 2.63Å; H81-E177 PolarHBondContact NE2-OE1 3.16Å; H81-E177 VanDerWaalsContact NE2-OE1 3.09Å; H81-E177 IonicContact NE2-OE2 2.65Å; H81-E177 PolarHBondContact NE2-OE2 3.3Å; H81-Y178 HydrophobicContact CB-CD1 3.61Å; H81-Y178 HydrophobicContact CB-CE1 4.29Å; H81-Y178 HydrophobicContact CB-CG 3.78Å; H81-Y178 VanDerWaalsContact CD2-CB 3.48Å; H81-Y178 WeakPolarHBondContact CD2-CB 3.45Å |
| 82 | A | 97.4 | Very high | 95.9 | Very high | 0 Ų | 0 | 28 Ų | 28 | 0% | 0 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -62.6 | -38.5 | 178.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | L78 L79 G80 Q85 L86 L120 R123 M124 L127 | L78-A82 WeakPolarHBondContact O-CB 3.15Å; L78-A82 PolarHBondContact O-N 3.04Å; L79-A82 PolarHBondContact O-N 3.15Å; G80-A82 PolarHBondContact O-N 3.41Å; A82-Q85 PolarHBondContact O-N 3.37Å; A82-L86 WeakPolarHBondContact O-CG 3.21Å; A82-L86 PolarHBondContact O-N 2.87Å; A82-L86 VanDerWaalsContact O-N 3.09Å; A82-L120 HydrophobicContact CB-CD1 3.66Å; A82-R123 HydrophobicContact CB-CB 4.26Å; A82-R123 HydrophobicContact CB-CG 4.05Å; A82-M124 HydrophobicContact CB-CB 4.45Å; A82-M124 HydrophobicContact CB-CG 3.5Å; A82-L127 HydrophobicContact CB-CD1 4.01Å |
| 83 | I | 96.3 | Very high | 95.7 | Very high | 2 Ų | 2 | 27 Ų | 27 | 1% | 0.01 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -62.6 | -47.9 | 175.9 | -71.7 | 170.5 | 0 | 0 | 0 | 110.6 | L79 G80 H81 Q85 L86 W87 T90 M92 V106 L120 I218 | L79-I83 HydrophobicContact CD1-CD1 3.9Å; L79-I83 HydrophobicContact CD1-CG1 4.17Å; L79-I83 HydrophobicContact CG-CD1 3.94Å; L79-I83 VanDerWaalsContact O-CG1 3.26Å; L79-I83 WeakPolarHBondContact O-CG1 3.39Å; L79-I83 PolarHBondContact O-N 2.94Å; G80-I83 PolarHBondContact O-N 2.88Å; H81-I83 VanDerWaalsContact C-N 3.33Å; H81-I83 PolarHBondContact O-N 3.11Å; I83-Q85 VanDerWaalsContact C-N 3.25Å; I83-Q85 PolarHBondContact O-N 3.41Å; I83-L86 PolarHBondContact O-N 2.86Å; I83-W87 HydrophobicContact CG2-CE3 4.4Å; I83-W87 CarbonylContact O-C 3.6Å; I83-W87 WeakPolarHBondContact O-CA 3.29Å; I83-W87 PolarHBondContact O-N 3.28Å; I83-T90 HydrophobicContact CG2-CG2 3.68Å; I83-M92 HydrophobicContact CB-SD 4.45Å; I83-M92 HydrophobicContact CD1-CE 4.26Å; I83-M92 HydrophobicContact CG2-SD 3.96Å; I83-V106 HydrophobicContact CD1-CG1 3.83Å; I83-L120 HydrophobicContact CB-CD1 4.49Å; I83-L120 HydrophobicContact CD1-CD2 4.31Å; I83-L120 HydrophobicContact CG1-CD1 3.64Å; I83-L120 HydrophobicContact CG1-CD2 3.88Å; I83-L120 HydrophobicContact CG1-CG 4.4Å; I83-I218 HydrophobicContact CD1-CD1 3.62Å |
| 84 | K | 95.5 | Very high | 95.4 | Very high | 35 Ų | 35 | 28.4 Ų | 28.4 | 15% | 0.152 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -65.2 | -28 | -179.9 | -66.8 | -60.1 | -61.4 | -159.8 | 0 | 113 | G80 H81 P88 T90 M92 E153 Y178 | G80-K84 WeakPolarHBondContact O-CG 3.23Å; G80-K84 PolarHBondContact O-N 3.31Å; H81-K84 PolarHBondContact O-N 2.9Å; K84-P88 WeakPolarHBondContact CE-O 3.37Å; K84-P88 PolarHBondContact NZ-O 3.27Å; K84-P88 WeakPolarHBondContact O-CA 3.14Å; K84-P88 WeakPolarHBondContact O-CG 3.31Å; K84-T90 PolarHBondContact NZ-O 3.31Å; K84-M92 HydrophobicContact CD-CG 3.98Å; K84-M92 HydrophobicContact CD-SD 3.95Å; K84-M92 HydrophobicContact CG-CG 4.34Å; K84-M92 HydrophobicContact CG-SD 4.23Å; K84-E153 WeakPolarHBondContact CE-OE1 3.49Å; K84-E153 IonicContact NZ-OE1 2.71Å; K84-E153 PolarHBondContact NZ-OE1 3.15Å; K84-Y178 HydrophobicContact CB-CD2 4.19Å; K84-Y178 HydrophobicContact CB-CE2 4.48Å; K84-Y178 HydrophobicContact CG-CD2 3.78Å; K84-Y178 HydrophobicContact CG-CE2 3.61Å |
| 85 | Q | 95.5 | Very high | 95.1 | Very high | 50 Ų | 50 | 29 Ų | 29 | 23% | 0.234 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -76.1 | -36.5 | 173.8 | -74.3 | 178.5 | -15 | 0 | 0 | 113.2 | H81 A82 I83 R123 E177 | H81-Q85 PolarHBondContact NE2-NE2 2.84Å; H81-Q85 PolarHBondContact O-N 3.32Å; H81-Q85 VanDerWaalsContact O-N 3.12Å; A82-Q85 PolarHBondContact O-N 3.37Å; I83-Q85 VanDerWaalsContact C-N 3.25Å; I83-Q85 PolarHBondContact O-N 3.41Å; Q85-R123 VanDerWaalsContact CD-NH2 3.27Å; Q85-E177 WeakPolarHBondContact CG-OE1 3.28Å; Q85-E177 PolarHBondContact NE2-OE1 3.35Å |
| 86 | L | 94.6 | Very high | 94.8 | Very high | 64 Ų | 64 | 30.8 Ų | 30.8 | 34% | 0.335 | 16% | 0.157 | S | C | . | . | H | α-helix | trans | -81 | -37 | 178.8 | -68.2 | 178.7 | 0 | 0 | 0 | 112.6 | A82 I83 L120 R123 | A82-L86 WeakPolarHBondContact O-CG 3.21Å; A82-L86 PolarHBondContact O-N 2.87Å; A82-L86 VanDerWaalsContact O-N 3.09Å; I83-L86 PolarHBondContact O-N 2.86Å; L86-L120 HydrophobicContact CD1-CB 4.21Å; L86-L120 HydrophobicContact CD1-CD1 3.89Å; L86-R123 HydrophobicContact CD1-CB 4.15Å; L86-R123 HydrophobicContact CG-CB 4.44Å; L86-R123 HydrophobicContact CG-CG 4.35Å |
| 87 | W | 94.6 | Very high | 94.7 | Very high | 44 Ų | 44 | 32.4 Ų | 32.4 | 17% | 0.167 | 17% | 0.166 | C | C | . | . | trans | -137.7 | 81.6 | -177.3 | -56.1 | -62.3 | 0 | 0 | 0 | 110.5 | I83 H89 T90 L108 L112 D116 L120 | I83-W87 HydrophobicContact CG2-CE3 4.4Å; I83-W87 CarbonylContact O-C 3.6Å; I83-W87 WeakPolarHBondContact O-CA 3.29Å; I83-W87 PolarHBondContact O-N 3.28Å; W87-H89 VanDerWaalsContact C-N 3.25Å; W87-H89 PolarHBondContact O-N 3.11Å; W87-H89 VanDerWaalsContact O-N 3.14Å; W87-T90 WeakPolarHBondContact CB-OG1 3.27Å; W87-T90 VanDerWaalsContact O-CB 3.3Å; W87-T90 WeakPolarHBondContact O-CB 3.36Å; W87-T90 PolarHBondContact O-N 2.94Å; W87-T90 PolarHBondContact O-OG1 3.48Å; W87-L108 HydrophobicContact CB-CD1 4.09Å; W87-L108 HydrophobicContact CG-CD1 4.2Å; W87-L112 HydrophobicContact CE3-CD2 4.44Å; W87-L112 HydrophobicContact CH2-CD2 3.71Å; W87-L112 HydrophobicContact CZ2-CD2 4.29Å; W87-L112 HydrophobicContact CZ3-CD2 3.8Å; W87-D116 HydrophobicContact CH2-CB 3.92Å; W87-D116 HydrophobicContact CZ2-CB 4.09Å; W87-L120 HydrophobicContact CZ3-CD1 4.31Å; W87-L120 HydrophobicContact CZ3-CD2 4.39Å | ||
| 88 | P | 93.3 | Very high | 94.4 | Very high | 78 Ų | 78 | 35.3 Ų | 35.3 | 51% | 0.506 | 18% | 0.182 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -59.1 | -28.5 | -172.6 | -26.8 | 35.2 | 0 | 0 | 0 | 115.8 | K84 T90 | K84-P88 WeakPolarHBondContact CE-O 3.37Å; K84-P88 PolarHBondContact NZ-O 3.27Å; K84-P88 WeakPolarHBondContact O-CA 3.14Å; K84-P88 WeakPolarHBondContact O-CG 3.31Å; P88-T90 VanDerWaalsContact C-N 3.32Å |
| 89 | H | 92.5 | Very high | 93.7 | Very high | 181 Ų | 181 | 42.2 Ų | 42.2 | 84% | 0.838 | 22% | 0.218 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -82.8 | -5.3 | -179.5 | -58.3 | -62.1 | 0 | 0 | 0 | 114.1 | W87 | W87-H89 VanDerWaalsContact C-N 3.25Å; W87-H89 PolarHBondContact O-N 3.11Å; W87-H89 VanDerWaalsContact O-N 3.14Å |
| 90 | T | 94.3 | Very high | 93.2 | Very high | 3 Ų | 3 | 45.4 Ų | 45.4 | 2% | 0.018 | 24% | 0.235 | C | C | . | . | P | Polyproline II helix | trans | -63.2 | 138.1 | 176 | -48.9 | 0 | 0 | 0 | 0 | 110 | I83 K84 W87 P88 M92 V106 D107 L108 | I83-T90 HydrophobicContact CG2-CG2 3.68Å; K84-T90 PolarHBondContact NZ-O 3.31Å; W87-T90 WeakPolarHBondContact CB-OG1 3.27Å; W87-T90 VanDerWaalsContact O-CB 3.3Å; W87-T90 WeakPolarHBondContact O-CB 3.36Å; W87-T90 PolarHBondContact O-N 2.94Å; W87-T90 PolarHBondContact O-OG1 3.48Å; P88-T90 VanDerWaalsContact C-N 3.32Å; T90-M92 HydrophobicContact CG2-SD 4.45Å; T90-V106 HydrophobicContact CG2-CB 3.83Å; T90-V106 HydrophobicContact CG2-CG1 4.41Å; T90-V106 HydrophobicContact CG2-CG2 4.36Å; T90-D107 WeakPolarHBondContact CG2-O 3.37Å; T90-L108 HydrophobicContact CG2-CB 4.13Å; T90-L108 HydrophobicContact CG2-CD1 4.39Å; T90-L108 WeakPolarHBondContact OG1-CD1 3.11Å |
| 91 | K | 94.9 | Very high | 93.1 | Very high | 72 Ų | 72 | 45.4 Ų | 45.4 | 31% | 0.313 | 24% | 0.235 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.3 | 134.8 | 174 | -52 | 175.2 | 170.3 | -175.4 | 0 | 110.6 | D107 E153 S154 Y155 | K91-D107 HydrophobicContact CB-CB 4.14Å; K91-D107 PolarHBondContact N-O 3.12Å; K91-D107 VanDerWaalsContact N-O 3.09Å; K91-D107 PolarHBondContact O-N 3.41Å; K91-E153 WeakPolarHBondContact CA-OE2 3.43Å; K91-S154 WeakPolarHBondContact CD-OG 3.48Å; K91-S154 PolarHBondContact NZ-OG 2.8Å; K91-S154 VanDerWaalsContact NZ-OG 3.07Å; K91-Y155 HydrophobicContact CB-CD2 3.92Å; K91-Y155 HydrophobicContact CB-CE2 4.09Å; K91-Y155 HydrophobicContact CD-CD2 4.47Å; K91-Y155 HydrophobicContact CD-CE2 4.24Å |
| 92 | M | 95.3 | Very high | 93 | Very high | 2 Ų | 2 | 45.3 Ų | 45.3 | 1% | 0.01 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.8 | 125.8 | -176.5 | -51.5 | -54.5 | -56.3 | 0 | 0 | 109.6 | G80 I83 K84 T90 Y104 V106 E153 K156 | G80-M92 VanDerWaalsContact CA-CE 3.46Å; I83-M92 HydrophobicContact CB-SD 4.45Å; I83-M92 HydrophobicContact CD1-CE 4.26Å; I83-M92 HydrophobicContact CG2-SD 3.96Å; K84-M92 HydrophobicContact CD-CG 3.98Å; K84-M92 HydrophobicContact CD-SD 3.95Å; K84-M92 HydrophobicContact CG-CG 4.34Å; K84-M92 HydrophobicContact CG-SD 4.23Å; T90-M92 HydrophobicContact CG2-SD 4.45Å; M92-Y104 HydrophobicContact CB-CE1 3.93Å; M92-Y104 HydrophobicContact CE-CD1 3.67Å; M92-Y104 HydrophobicContact CE-CD2 4.2Å; M92-Y104 HydrophobicContact CE-CE1 3.44Å; M92-Y104 VanDerWaalsContact CE-CE1 3.44Å; M92-Y104 HydrophobicContact CE-CE2 3.96Å; M92-Y104 HydrophobicContact CE-CG 4.07Å; M92-V106 HydrophobicContact CE-CG1 3.52Å; M92-V106 HydrophobicContact SD-CG1 3.94Å; M92-E153 PolarHBondContact N-OE2 3.33Å; M92-K156 WeakPolarHBondContact O-CE 3.44Å |
| 93 | A | 93.2 | Very high | 92.9 | Very high | 0 Ų | 0 | 47.1 Ų | 47.1 | 0% | 0 | 24% | 0.242 | C | C | . | . | trans | -100.8 | -102.9 | 178.9 | 0 | 0 | 0 | 0 | 0 | 111.6 | D105 Y155 K156 W206 L215 | A93-D105 HydrophobicContact CB-CB 4.17Å; A93-D105 VanDerWaalsContact CB-O 3.3Å; A93-D105 WeakPolarHBondContact CB-O 3.31Å; A93-D105 PolarHBondContact N-O 2.95Å; A93-Y155 HydrophobicContact CB-CD1 4.26Å; A93-Y155 HydrophobicContact CB-CD2 4.35Å; A93-Y155 HydrophobicContact CB-CG 3.97Å; A93-K156 WeakPolarHBondContact O-CE 3.4Å; A93-K156 PolarHBondContact O-NZ 2.92Å; A93-K156 VanDerWaalsContact O-NZ 3.08Å; A93-W206 HydrophobicContact CB-CE3 4.26Å; A93-W206 HydrophobicContact CB-CZ3 3.88Å; A93-L215 HydrophobicContact CB-CD1 3.91Å | ||
| 94 | I | 91.1 | Very high | 92.9 | Very high | 59 Ų | 59 | 47.1 Ų | 47.1 | 30% | 0.303 | 24% | 0.242 | S | C | . | . | trans | -120 | 137.9 | -175.9 | -59 | 162.3 | 0 | 0 | 0 | 109.6 | P96 D105 I159 W206 | I94-P96 HydrophobicContact CG2-CG 4.37Å; I94-D105 PolarHBondContact O-N 3.08Å; I94-I159 HydrophobicContact CG1-CD1 4.02Å; I94-W206 HydrophobicContact CD1-CE3 4.37Å; I94-W206 HydrophobicContact CD1-CH2 3.8Å; I94-W206 HydrophobicContact CD1-CZ3 3.45Å; I94-W206 VanDerWaalsContact CD1-CZ3 3.45Å; I94-W206 HydrophobicContact CG1-CH2 4.12Å; I94-W206 HydrophobicContact CG1-CZ3 3.75Å | ||
| 95 | G | 89.9 | Confident | 92.9 | Very high | 13 Ų | 13 | 45.8 Ų | 45.8 | 13% | 0.134 | 24% | 0.237 | C | C | . | . | trans | -136.3 | 79.7 | 176.9 | 0 | 0 | 0 | 0 | 0 | 113.9 | Y103 | G95-Y103 CarbonylContact C-O 3.46Å; G95-Y103 WeakPolarHBondContact CA-O 3.49Å | ||
| 96 | P | 91.8 | Very high | 92.9 | Very high | 38 Ų | 38 | 43.5 Ų | 43.5 | 25% | 0.247 | 23% | 0.226 | C | C | . | . | trans | -87.6 | 164.3 | -176.1 | 35.2 | -26.3 | 0 | 0 | 0 | 111.9 | I94 F102 Y103 | I94-P96 HydrophobicContact CG2-CG 4.37Å; P96-F102 WeakPolarHBondContact O-CA 3.37Å; P96-Y103 HydrophobicContact CG-CD1 4.2Å; P96-Y103 HydrophobicContact CG-CD2 4.44Å; P96-Y103 HydrophobicContact CG-CE1 3.47Å; P96-Y103 VanDerWaalsContact CG-CE1 3.47Å; P96-Y103 HydrophobicContact CG-CE2 3.74Å; P96-Y103 VanDerWaalsContact CG-OH 3.25Å; P96-Y103 WeakPolarHBondContact CG-OH 3.35Å; P96-Y103 PolarHBondContact O-N 2.93Å | ||
| 97 | V | 93.6 | Very high | 93 | Very high | 34 Ų | 34 | 41.1 Ų | 41.1 | 21% | 0.206 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -78.5 | 149.8 | 169.8 | -175.5 | 0 | 0 | 0 | 0 | 109.9 | E69 R72 H73 G101 | E69-V97 HydrophobicContact CG-CB 4.21Å; E69-V97 HydrophobicContact CG-CG1 3.69Å; E69-V97 HydrophobicContact CG-CG2 4.36Å; R72-V97 HydrophobicContact CB-CG1 3.87Å; R72-V97 HydrophobicContact CB-CG2 4.22Å; H73-V97 HydrophobicContact CB-CG2 3.55Å; V97-G101 WeakPolarHBondContact CG1-O 3.49Å |
| 98 | I | 90.9 | Very high | 92.8 | Very high | 66 Ų | 66 | 40.2 Ų | 40.2 | 34% | 0.338 | 21% | 0.212 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.7 | 163.7 | 170.3 | 62.2 | 177.4 | 0 | 0 | 0 | 108.6 | N100 G101 Y103 Y219 | I98-N100 PolarHBondContact O-N 3.32Å; I98-G101 VanDerWaalsContact CG1-C 3.45Å; I98-G101 PolarHBondContact N-O 2.93Å; I98-G101 PolarHBondContact O-N 3.24Å; I98-Y103 HydrophobicContact CG2-CD1 3.95Å; I98-Y103 HydrophobicContact CG2-CE1 4.04Å; I98-Y219 HydrophobicContact CD1-CD1 4.03Å; I98-Y219 HydrophobicContact CD1-CE1 4.22Å |
| 99 | D | 82.2 | Confident | 92.5 | Very high | 144 Ų | 144 | 44 Ų | 44 | 77% | 0.77 | 23% | 0.228 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -46.1 | -32.4 | -171.8 | -58.1 | -0.6 | 0 | 0 | 0 | 115.9 | R72 | R72-D99 VanDerWaalsContact CZ-O 3.25Å; R72-D99 VanDerWaalsContact NH1-C 3.31Å; R72-D99 PolarHBondContact NH1-O 3.5Å; R72-D99 PolarHBondContact NH2-O 2.92Å; R72-D99 VanDerWaalsContact NH2-O 3.12Å |
| 100 | N | 87 | Confident | 92.4 | Very high | 67 Ų | 67 | 40.7 Ų | 40.7 | 36% | 0.358 | 21% | 0.208 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -124.6 | 16.6 | -177.7 | -69.7 | -71.1 | 0 | 0 | 0 | 113.8 | I98 T221 Y232 | I98-N100 PolarHBondContact O-N 3.32Å; N100-T221 VanDerWaalsContact O-CB 3.3Å; N100-T221 WeakPolarHBondContact O-CB 3.47Å; N100-T221 PolarHBondContact O-OG1 2.93Å; N100-Y232 HydrophobicContact CB-CE2 3.84Å; N100-Y232 WeakPolarHBondContact CB-OH 3.4Å |
| 101 | G | 93.4 | Very high | 92.2 | Very high | 0 Ų | 0 | 46.1 Ų | 46.1 | 0% | 0 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 168.6 | -141.6 | -175.9 | 0 | 0 | 0 | 0 | 0 | 114.3 | V97 I98 G220 | V97-G101 WeakPolarHBondContact CG1-O 3.49Å; I98-G101 VanDerWaalsContact CG1-C 3.45Å; I98-G101 PolarHBondContact N-O 2.93Å; I98-G101 PolarHBondContact O-N 3.24Å; G101-G220 CarbonylContact C-O 3.32Å; G101-G220 VanDerWaalsContact CA-O 3.25Å; G101-G220 WeakPolarHBondContact CA-O 3.34Å |
| 102 | F | 96.2 | Very high | 92.1 | Very high | 0 Ų | 0 | 43.1 Ų | 43.1 | 0% | 0 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -154.8 | 167.8 | 179.3 | 55.8 | -85.8 | 0 | 0 | 0 | 108.9 | R72 C75 A76 L79 P96 M124 G220 A222 | R72-F102 HydrophobicContact CB-CD1 4.14Å; R72-F102 VanDerWaalsContact O-CD1 3.29Å; R72-F102 WeakPolarHBondContact O-CD1 3.42Å; C75-F102 HydrophobicContact CB-CD1 4.03Å; C75-F102 HydrophobicContact CB-CE1 3.33Å; C75-F102 HydrophobicContact CB-CE2 4.33Å; C75-F102 HydrophobicContact CB-CZ 3.51Å; A76-F102 HydrophobicContact CB-CB 4.15Å; A76-F102 HydrophobicContact CB-CD2 3.69Å; A76-F102 HydrophobicContact CB-CE2 4.4Å; A76-F102 HydrophobicContact CB-CG 4.08Å; L79-F102 HydrophobicContact CB-CE2 4.28Å; L79-F102 HydrophobicContact CD2-CE2 3.97Å; P96-F102 WeakPolarHBondContact O-CA 3.37Å; F102-M124 HydrophobicContact CZ-CE 4.48Å; F102-G220 PolarHBondContact N-O 3.47Å; F102-G220 PolarHBondContact O-N 3.07Å; F102-G220 VanDerWaalsContact O-O 3.05Å; F102-A222 HydrophobicContact CE1-CB 4.05Å |
| 103 | Y | 95.6 | Very high | 91.9 | Very high | 37 Ų | 37 | 46.4 Ų | 46.4 | 15% | 0.145 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.6 | 167.2 | 163.1 | 67.1 | -99.8 | 0 | 0 | 0 | 110.5 | G95 P96 I98 R217 I218 Y219 | G95-Y103 CarbonylContact C-O 3.46Å; G95-Y103 WeakPolarHBondContact CA-O 3.49Å; P96-Y103 HydrophobicContact CG-CD1 4.2Å; P96-Y103 HydrophobicContact CG-CD2 4.44Å; P96-Y103 HydrophobicContact CG-CE1 3.47Å; P96-Y103 VanDerWaalsContact CG-CE1 3.47Å; P96-Y103 HydrophobicContact CG-CE2 3.74Å; P96-Y103 VanDerWaalsContact CG-OH 3.25Å; P96-Y103 WeakPolarHBondContact CG-OH 3.35Å; P96-Y103 PolarHBondContact O-N 2.93Å; I98-Y103 HydrophobicContact CG2-CD1 3.95Å; I98-Y103 HydrophobicContact CG2-CE1 4.04Å; Y103-R217 HydrophobicContact CD2-CG 3.64Å; Y103-R217 HydrophobicContact CE2-CG 4.44Å; Y103-R217 VanDerWaalsContact CE2-NE 3.28Å; Y103-R217 HydrophobicContact CG-CG 3.84Å; Y103-R217 PolarHBondContact OH-NH2 2.86Å; Y103-I218 CarbonylContact C-O 3.5Å; Y103-I218 WeakPolarHBondContact CA-O 3.4Å; Y103-I218 WeakPolarHBondContact CB-O 3.34Å; Y103-Y219 HydrophobicContact CD1-CE1 4.08Å; Y103-Y219 HydrophobicContact CG-CE1 4.35Å |
| 104 | Y | 96.4 | Very high | 91.8 | Very high | 2 Ų | 2 | 52 Ų | 52 | 1% | 0.008 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.1 | 125.4 | 168.7 | -144.8 | -51.9 | 0 | 0 | 0 | 109.4 | A76 M92 V106 K156 D180 I218 | A76-Y104 HydrophobicContact CB-CD2 4.29Å; A76-Y104 VanDerWaalsContact O-CD2 3.23Å; A76-Y104 WeakPolarHBondContact O-CD2 3.44Å; M92-Y104 HydrophobicContact CB-CE1 3.93Å; M92-Y104 HydrophobicContact CE-CD1 3.67Å; M92-Y104 HydrophobicContact CE-CD2 4.2Å; M92-Y104 HydrophobicContact CE-CE1 3.44Å; M92-Y104 VanDerWaalsContact CE-CE1 3.44Å; M92-Y104 HydrophobicContact CE-CE2 3.96Å; M92-Y104 HydrophobicContact CE-CG 4.07Å; Y104-V106 HydrophobicContact CD1-CG1 4.02Å; Y104-K156 PolarHBondContact OH-NZ 2.97Å; Y104-D180 PolarHBondContact OH-OD2 2.63Å; Y104-I218 PolarHBondContact N-O 3.25Å; Y104-I218 PolarHBondContact O-N 3.09Å |
| 105 | D | 95.5 | Very high | 91.9 | Very high | 8 Ų | 8 | 56.6 Ų | 56.6 | 4% | 0.043 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.5 | 123.7 | 171.9 | -69.2 | -20.5 | 0 | 0 | 0 | 110 | A93 I94 L215 R217 | A93-D105 HydrophobicContact CB-CB 4.17Å; A93-D105 VanDerWaalsContact CB-O 3.3Å; A93-D105 WeakPolarHBondContact CB-O 3.31Å; A93-D105 PolarHBondContact N-O 2.95Å; I94-D105 PolarHBondContact O-N 3.08Å; D105-L215 HydrophobicContact CB-CB 4.38Å; D105-L215 HydrophobicContact CB-CD1 4.02Å; D105-R217 WeakPolarHBondContact OD1-CA 3.48Å; D105-R217 WeakPolarHBondContact OD1-CB 3.28Å; D105-R217 WeakPolarHBondContact OD1-CG 3.11Å; D105-R217 IonicContact OD1-CZ 2.92Å; D105-R217 IonicContact OD1-NE 3.89Å; D105-R217 PolarHBondContact OD1-NE 3.36Å; D105-R217 IonicContact OD1-NH2 3.63Å; D105-R217 IonicContact OD2-CZ 2.85Å; D105-R217 IonicContact OD2-NE 3.52Å; D105-R217 PolarHBondContact OD2-NE 2.84Å; D105-R217 IonicContact OD2-NH2 3.64Å; D105-R217 PolarHBondContact OD2-NH2 3.27Å |
| 106 | V | 95.3 | Very high | 92.1 | Very high | 1 Ų | 1 | 57 Ų | 57 | 1% | 0.006 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.2 | 143.8 | -178.5 | -62.3 | 0 | 0 | 0 | 0 | 112.2 | I83 T90 M92 Y104 Q216 I218 | I83-V106 HydrophobicContact CD1-CG1 3.83Å; T90-V106 HydrophobicContact CG2-CB 3.83Å; T90-V106 HydrophobicContact CG2-CG1 4.41Å; T90-V106 HydrophobicContact CG2-CG2 4.36Å; M92-V106 HydrophobicContact CE-CG1 3.52Å; M92-V106 HydrophobicContact SD-CG1 3.94Å; Y104-V106 HydrophobicContact CD1-CG1 4.02Å; V106-Q216 HydrophobicContact CG2-CB 4.29Å; V106-Q216 WeakPolarHBondContact CG2-O 3.34Å; V106-Q216 PolarHBondContact N-O 2.87Å; V106-Q216 PolarHBondContact O-N 3Å; V106-I218 HydrophobicContact CG2-CD1 4.1Å |
| 107 | D | 95.3 | Very high | 92.2 | Very high | 15 Ų | 15 | 55.5 Ų | 55.5 | 8% | 0.08 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.7 | 103.1 | 171.7 | -170.6 | -3 | 0 | 0 | 0 | 109.1 | T90 K91 Y155 K213 L215 | T90-D107 WeakPolarHBondContact CG2-O 3.37Å; K91-D107 HydrophobicContact CB-CB 4.14Å; K91-D107 PolarHBondContact N-O 3.12Å; K91-D107 VanDerWaalsContact N-O 3.09Å; K91-D107 PolarHBondContact O-N 3.41Å; D107-Y155 HydrophobicContact CB-CE2 3.54Å; D107-Y155 PolarHBondContact OD2-OH 3.47Å; D107-K213 WeakPolarHBondContact OD1-CE 3.38Å; D107-K213 IonicContact OD1-NZ 3.81Å; D107-K213 PolarHBondContact OD1-NZ 2.82Å; D107-K213 WeakPolarHBondContact OD2-CD 3.4Å; D107-K213 IonicContact OD2-NZ 2.67Å; D107-K213 PolarHBondContact OD2-NZ 2.99Å; D107-L215 HydrophobicContact CB-CD2 3.88Å |
| 108 | L | 91.9 | Very high | 92.3 | Very high | 24 Ų | 24 | 59.5 Ų | 59.5 | 13% | 0.126 | 30% | 0.301 | C | S | . | . | trans | -130.8 | 127.3 | -178.3 | 178.8 | 70.3 | 0 | 0 | 0 | 108.5 | W87 T90 R110 L112 Q216 | W87-L108 HydrophobicContact CB-CD1 4.09Å; W87-L108 HydrophobicContact CG-CD1 4.2Å; T90-L108 HydrophobicContact CG2-CB 4.13Å; T90-L108 HydrophobicContact CG2-CD1 4.39Å; T90-L108 WeakPolarHBondContact OG1-CD1 3.11Å; L108-R110 HydrophobicContact CD1-CG 4.49Å; L108-R110 HydrophobicContact CD2-CG 4.08Å; L108-R110 WeakPolarHBondContact CD2-O 3.47Å; L108-R110 HydrophobicContact CG-CG 4.11Å; L108-R110 WeakPolarHBondContact CG-O 3.42Å; L108-R110 PolarHBondContact O-N 2.67Å; L108-R110 VanDerWaalsContact O-N 3.09Å; L108-L112 HydrophobicContact CD2-CD1 4.46Å; L108-L112 HydrophobicContact CD2-CD2 3.56Å; L108-L112 HydrophobicContact CD2-CG 3.81Å; L108-Q216 PolarHBondContact O-NE2 2.67Å; L108-Q216 VanDerWaalsContact O-NE2 3.08Å | ||
| 109 | D | 86.6 | Confident | 92.5 | Very high | 159 Ų | 159 | 58.6 Ų | 58.6 | 85% | 0.85 | 30% | 0.303 | S | S | * | . | S | Bend | trans | -64.7 | -16.1 | -174.1 | -64.9 | -32.7 | 0 | 0 | 0 | 114.5 | ||
| 110 | R | 89.5 | Confident | 93.2 | Very high | 111 Ų | 111 | 51.7 Ų | 51.7 | 42% | 0.419 | 27% | 0.267 | S | S | . | . | S | Bend | trans | -119.9 | 144.3 | 179.3 | 72.2 | -178.8 | -168.5 | 127.7 | 12.5 | 111.5 | L108 D116 Q216 | L108-R110 HydrophobicContact CD1-CG 4.49Å; L108-R110 HydrophobicContact CD2-CG 4.08Å; L108-R110 WeakPolarHBondContact CD2-O 3.47Å; L108-R110 HydrophobicContact CG-CG 4.11Å; L108-R110 WeakPolarHBondContact CG-O 3.42Å; L108-R110 PolarHBondContact O-N 2.67Å; L108-R110 VanDerWaalsContact O-N 3.09Å; R110-D116 IonicContact CZ-OD1 3.68Å; R110-D116 IonicContact NH1-OD1 2.77Å; R110-D116 IonicContact NH2-OD1 3.57Å; R110-D116 PolarHBondContact NH2-OD1 2.95Å; R110-D116 IonicContact NH2-OD2 2.66Å; R110-Q216 PolarHBondContact O-NE2 3.32Å |
| 111 | T | 90.9 | Very high | 93.7 | Very high | 116 Ų | 116 | 49.9 Ų | 49.9 | 71% | 0.712 | 26% | 0.256 | S | S | * | . | P | Polyproline II helix | trans | -67.6 | 131 | 174.9 | -49.5 | 0 | 0 | 0 | 0 | 111.4 | T113 | T111-T113 PolarHBondContact O-N 3.39Š|
| 112 | L | 92.3 | Very high | 93.8 | Very high | 10 Ų | 10 | 56.2 Ų | 56.2 | 5% | 0.052 | 28% | 0.283 | C | S | . | . | P | Polyproline II helix | trans | -70.1 | 125.6 | 175.2 | -69.6 | 169.7 | 0 | 0 | 0 | 111.3 | W87 L108 D116 T201 I218 | W87-L112 HydrophobicContact CE3-CD2 4.44Å; W87-L112 HydrophobicContact CH2-CD2 3.71Å; W87-L112 HydrophobicContact CZ2-CD2 4.29Å; W87-L112 HydrophobicContact CZ3-CD2 3.8Å; L108-L112 HydrophobicContact CD2-CD1 4.46Å; L108-L112 HydrophobicContact CD2-CD2 3.56Å; L108-L112 HydrophobicContact CD2-CG 3.81Å; L112-D116 HydrophobicContact CD2-CB 3.84Å; L112-T201 HydrophobicContact CB-CG2 4.32Å; L112-T201 HydrophobicContact CD1-CG2 4.43Å; L112-I218 HydrophobicContact CD1-CD1 3.46Å; L112-I218 VanDerWaalsContact CD1-CD1 3.46Å; L112-I218 HydrophobicContact CD1-CG1 3.72Å |
| 113 | T | 92 | Very high | 93.9 | Very high | 71 Ų | 71 | 59.3 Ų | 59.3 | 44% | 0.436 | 30% | 0.295 | S | S | . | . | P | Polyproline II helix | trans | -87.7 | 167.8 | 172.4 | 69.6 | 0 | 0 | 0 | 0 | 111.4 | T111 E115 D116 V117 | T111-T113 PolarHBondContact O-N 3.39Å; T113-E115 PolarHBondContact O-N 3.4Å; T113-E115 PolarHBondContact OG1-N 3.43Å; T113-D116 WeakPolarHBondContact CB-OD2 3.42Å; T113-D116 PolarHBondContact N-OD2 3.16Å; T113-D116 WeakPolarHBondContact O-CB 3.28Å; T113-D116 PolarHBondContact O-N 3.33Å; T113-D116 VanDerWaalsContact O-N 3.12Å; T113-D116 VanDerWaalsContact OG1-CG 3.26Å; T113-D116 PolarHBondContact OG1-N 2.89Å; T113-D116 PolarHBondContact OG1-OD2 3.23Å; T113-V117 WeakPolarHBondContact O-CG2 3.44Å; T113-V117 PolarHBondContact O-N 3.36Å |
| 114 | Q | 90.1 | Very high | 94 | Very high | 118 Ų | 118 | 57.5 Ų | 57.5 | 55% | 0.551 | 29% | 0.288 | S | S | * | . | H | α-helix | trans | -60.1 | -33.1 | 173.5 | -172.9 | 60.5 | 44.5 | 0 | 0 | 112.3 | V117 E118 | Q114-V117 PolarHBondContact O-N 3.34Å; Q114-E118 WeakPolarHBondContact O-CG 3.4Å; Q114-E118 PolarHBondContact O-N 2.87Å |
| 115 | E | 93.2 | Very high | 94.1 | Very high | 155 Ų | 155 | 60.1 Ų | 60.1 | 72% | 0.724 | 30% | 0.3 | S | S | * | . | H | α-helix | trans | -67.3 | -37.9 | 175.9 | -64.1 | 179.8 | -179.9 | 0 | 0 | 111.2 | T113 E118 A119 | T113-E115 PolarHBondContact O-N 3.4Å; T113-E115 PolarHBondContact OG1-N 3.43Å; E115-E118 PolarHBondContact O-N 2.9Å; E115-A119 WeakPolarHBondContact O-CB 3.41Å; E115-A119 PolarHBondContact O-N 2.89Å |
| 116 | D | 94.4 | Very high | 94.1 | Very high | 21 Ų | 21 | 63 Ų | 63 | 11% | 0.112 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -64.7 | -40.7 | 174.3 | -62 | -59.3 | 0 | 0 | 0 | 111.4 | W87 R110 L112 T113 A119 L120 | W87-D116 HydrophobicContact CH2-CB 3.92Å; W87-D116 HydrophobicContact CZ2-CB 4.09Å; R110-D116 IonicContact CZ-OD1 3.68Å; R110-D116 IonicContact NH1-OD1 2.77Å; R110-D116 IonicContact NH2-OD1 3.57Å; R110-D116 PolarHBondContact NH2-OD1 2.95Å; R110-D116 IonicContact NH2-OD2 2.66Å; L112-D116 HydrophobicContact CD2-CB 3.84Å; T113-D116 WeakPolarHBondContact CB-OD2 3.42Å; T113-D116 PolarHBondContact N-OD2 3.16Å; T113-D116 WeakPolarHBondContact O-CB 3.28Å; T113-D116 PolarHBondContact O-N 3.33Å; T113-D116 VanDerWaalsContact O-N 3.12Å; T113-D116 VanDerWaalsContact OG1-CG 3.26Å; T113-D116 PolarHBondContact OG1-N 2.89Å; T113-D116 PolarHBondContact OG1-OD2 3.23Å; D116-A119 PolarHBondContact O-N 3.07Å; D116-L120 VanDerWaalsContact O-CB 3.23Å; D116-L120 WeakPolarHBondContact O-CB 3.08Å; D116-L120 PolarHBondContact O-N 2.96Å |
| 117 | V | 94.3 | Very high | 94.2 | Very high | 6 Ų | 6 | 63 Ų | 63 | 4% | 0.036 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -64.4 | -40 | 175.9 | 177 | 0 | 0 | 0 | 0 | 111.4 | T113 Q114 L120 E121 L198 T201 | T113-V117 WeakPolarHBondContact O-CG2 3.44Å; T113-V117 PolarHBondContact O-N 3.36Å; Q114-V117 PolarHBondContact O-N 3.34Å; V117-L120 PolarHBondContact O-N 3.28Å; V117-E121 WeakPolarHBondContact O-CB 3.25Å; V117-E121 PolarHBondContact O-N 3.1Å; V117-L198 HydrophobicContact CG1-CB 3.81Å; V117-L198 HydrophobicContact CG1-CD1 4.15Å; V117-T201 HydrophobicContact CG2-CG2 3.8Å |
| 118 | E | 94.6 | Very high | 94.3 | Very high | 118 Ų | 118 | 62.3 Ų | 62.3 | 55% | 0.551 | 31% | 0.31 | S | S | * | . | H | α-helix | trans | -65.8 | -41.4 | 175.5 | -73.5 | 177.7 | -171.5 | 0 | 0 | 112.2 | Q114 E115 L120 K122 | Q114-E118 WeakPolarHBondContact O-CG 3.4Å; Q114-E118 PolarHBondContact O-N 2.87Å; E115-E118 PolarHBondContact O-N 2.9Å; E118-L120 VanDerWaalsContact C-N 3.35Å; E118-K122 WeakPolarHBondContact O-CB 3.27Å; E118-K122 PolarHBondContact O-N 3.46Å |
| 119 | A | 95.7 | Very high | 94.5 | Very high | 47 Ų | 47 | 67.7 Ų | 67.7 | 39% | 0.388 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -64.1 | -41 | 174.6 | 0 | 0 | 0 | 0 | 0 | 111.7 | E115 D116 K122 R123 | E115-A119 WeakPolarHBondContact O-CB 3.41Å; E115-A119 PolarHBondContact O-N 2.89Å; D116-A119 PolarHBondContact O-N 3.07Å; A119-K122 PolarHBondContact O-N 3.12Å; A119-R123 PolarHBondContact O-N 2.91Å |
| 120 | L | 96.5 | Very high | 95 | Very high | 0 Ų | 0 | 64.9 Ų | 64.9 | 0% | 0 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -65 | -47 | 177.9 | -176.9 | 60 | 0 | 0 | 0 | 112 | L79 A82 I83 L86 W87 D116 V117 E118 K122 R123 M124 L198 I218 | L79-L120 HydrophobicContact CD1-CD1 4.19Å; L79-L120 HydrophobicContact CD1-CD2 3.46Å; L79-L120 VanDerWaalsContact CD1-CD2 3.46Å; L79-L120 HydrophobicContact CD1-CG 3.82Å; A82-L120 HydrophobicContact CB-CD1 3.66Å; I83-L120 HydrophobicContact CB-CD1 4.49Å; I83-L120 HydrophobicContact CD1-CD2 4.31Å; I83-L120 HydrophobicContact CG1-CD1 3.64Å; I83-L120 HydrophobicContact CG1-CD2 3.88Å; I83-L120 HydrophobicContact CG1-CG 4.4Å; L86-L120 HydrophobicContact CD1-CB 4.21Å; L86-L120 HydrophobicContact CD1-CD1 3.89Å; W87-L120 HydrophobicContact CZ3-CD1 4.31Å; W87-L120 HydrophobicContact CZ3-CD2 4.39Å; D116-L120 VanDerWaalsContact O-CB 3.23Å; D116-L120 WeakPolarHBondContact O-CB 3.08Å; D116-L120 PolarHBondContact O-N 2.96Å; V117-L120 PolarHBondContact O-N 3.28Å; E118-L120 VanDerWaalsContact C-N 3.35Å; L120-K122 VanDerWaalsContact C-N 3.32Å; L120-K122 PolarHBondContact O-N 3.13Å; L120-R123 PolarHBondContact O-N 2.68Å; L120-R123 VanDerWaalsContact O-N 3.12Å; L120-M124 WeakPolarHBondContact O-CG 3.43Å; L120-M124 PolarHBondContact O-N 3.1Å; L120-L198 HydrophobicContact CB-CD1 4.13Å; L120-L198 HydrophobicContact CD2-CD1 3.97Å; L120-L198 HydrophobicContact CG-CD1 3.87Å; L120-I218 HydrophobicContact CD2-CD1 4Å |
| 121 | E | 97.4 | Very high | 95.3 | Very high | 29 Ų | 29 | 62.8 Ų | 62.8 | 14% | 0.136 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -60 | -43.4 | 175.6 | -177.4 | 178.4 | 113.4 | 0 | 0 | 111.5 | V117 R123 M124 H125 F196 K197 L198 | V117-E121 WeakPolarHBondContact O-CB 3.25Å; V117-E121 PolarHBondContact O-N 3.1Å; E121-R123 VanDerWaalsContact C-N 3.28Å; E121-R123 PolarHBondContact O-N 2.8Å; E121-M124 PolarHBondContact O-N 2.78Å; E121-H125 PolarHBondContact O-CD2 2.85Å; E121-H125 PolarHBondContact O-N 2.79Å; E121-F196 HydrophobicContact CG-CE2 4.24Å; E121-K197 IonicContact OE1-NZ 2.81Å; E121-K197 PolarHBondContact OE1-NZ 3.41Å; E121-K197 VanDerWaalsContact OE2-CD 3.27Å; E121-K197 WeakPolarHBondContact OE2-CD 3.13Å; E121-K197 WeakPolarHBondContact OE2-CE 3.22Å; E121-K197 IonicContact OE2-NZ 3.61Å; E121-K197 PolarHBondContact OE2-NZ 3.18Å; E121-L198 HydrophobicContact CB-CB 4.35Å; E121-L198 HydrophobicContact CB-CD1 3.91Å; E121-L198 HydrophobicContact CB-CG 4.02Å; E121-L198 HydrophobicContact CG-CG 4.4Å; E121-L198 PolarHBondContact OE2-N 3.09Å |
| 122 | K | 97.2 | Very high | 95.6 | Very high | 132 Ų | 132 | 58.3 Ų | 58.3 | 57% | 0.574 | 28% | 0.282 | S | S | * | . | H | α-helix | trans | -58.3 | -44.1 | 175.6 | -173.5 | -169 | 173.4 | -141.2 | 0 | 110.7 | E118 A119 L120 H125 E126 | E118-K122 WeakPolarHBondContact O-CB 3.27Å; E118-K122 PolarHBondContact O-N 3.46Å; A119-K122 PolarHBondContact O-N 3.12Å; L120-K122 VanDerWaalsContact C-N 3.32Å; L120-K122 PolarHBondContact O-N 3.13Å; K122-H125 PolarHBondContact O-N 2.89Å; K122-E126 WeakPolarHBondContact CE-OE1 3.45Å; K122-E126 IonicContact NZ-OE1 3.09Å; K122-E126 PolarHBondContact NZ-OE1 2.88Å; K122-E126 WeakPolarHBondContact O-CG 3.46Å; K122-E126 PolarHBondContact O-N 2.81Å |
| 123 | R | 97.6 | Very high | 95.8 | Very high | 65 Ų | 65 | 62.5 Ų | 62.5 | 25% | 0.245 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -65.7 | -40.4 | 179.6 | -173.8 | 56.8 | -178.8 | 167.3 | 4.9 | 112.3 | A82 Q85 L86 A119 L120 E121 H125 E126 L127 | A82-R123 HydrophobicContact CB-CB 4.26Å; A82-R123 HydrophobicContact CB-CG 4.05Å; Q85-R123 VanDerWaalsContact CD-NH2 3.27Å; L86-R123 HydrophobicContact CD1-CB 4.15Å; L86-R123 HydrophobicContact CG-CB 4.44Å; L86-R123 HydrophobicContact CG-CG 4.35Å; A119-R123 PolarHBondContact O-N 2.91Å; L120-R123 PolarHBondContact O-N 2.68Å; L120-R123 VanDerWaalsContact O-N 3.12Å; E121-R123 VanDerWaalsContact C-N 3.28Å; E121-R123 PolarHBondContact O-N 2.8Å; R123-H125 VanDerWaalsContact C-N 3.28Å; R123-H125 PolarHBondContact O-N 3.19Å; R123-E126 WeakPolarHBondContact CD-OE2 3.35Å; R123-E126 IonicContact CZ-OE2 3.96Å; R123-E126 IonicContact NH1-OE2 3.94Å; R123-E126 PolarHBondContact NH1-OE2 3.25Å; R123-E126 PolarHBondContact O-N 3.28Å; R123-L127 WeakPolarHBondContact O-CG 3.47Å; R123-L127 PolarHBondContact O-N 3.19Å |
| 124 | M | 97.7 | Very high | 96 | Very high | 0 Ų | 0 | 59.8 Ų | 59.8 | 0% | 0 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -58.8 | -40.2 | 172.6 | -68.2 | 174.2 | 68.5 | 0 | 0 | 111.8 | L78 L79 A82 F102 L120 E121 L127 A128 F196 L198 | L78-M124 HydrophobicContact CB-CE 4.41Å; L78-M124 HydrophobicContact CD2-CB 4.25Å; L78-M124 HydrophobicContact CD2-CE 4.23Å; L78-M124 HydrophobicContact CG-CB 4.18Å; L78-M124 HydrophobicContact CG-CE 4.14Å; L78-M124 HydrophobicContact CG-CG 4.33Å; L79-M124 HydrophobicContact CB-CE 3.78Å; L79-M124 HydrophobicContact CB-SD 3.94Å; L79-M124 HydrophobicContact CD1-SD 3.66Å; L79-M124 HydrophobicContact CG-SD 4.4Å; A82-M124 HydrophobicContact CB-CB 4.45Å; A82-M124 HydrophobicContact CB-CG 3.5Å; F102-M124 HydrophobicContact CZ-CE 4.48Å; L120-M124 WeakPolarHBondContact O-CG 3.43Å; L120-M124 PolarHBondContact O-N 3.1Å; E121-M124 PolarHBondContact O-N 2.78Å; M124-L127 PolarHBondContact O-N 3.48Å; M124-A128 WeakPolarHBondContact O-CB 3.35Å; M124-A128 PolarHBondContact O-N 3.18Å; M124-F196 HydrophobicContact CB-CE1 4.46Å; M124-F196 HydrophobicContact CB-CE2 3.54Å; M124-F196 HydrophobicContact CB-CZ 3.43Å; M124-F196 VanDerWaalsContact CB-CZ 3.43Å; M124-F196 HydrophobicContact CE-CD2 3.86Å; M124-F196 HydrophobicContact CE-CE2 3.79Å; M124-F196 HydrophobicContact CE-CG 4.41Å; M124-F196 HydrophobicContact CE-CZ 4.28Å; M124-F196 HydrophobicContact CG-CE2 4.45Å; M124-F196 HydrophobicContact SD-CE2 4.11Å; M124-L198 HydrophobicContact CE-CD2 4.32Å; M124-L198 HydrophobicContact SD-CD1 3.91Å; M124-L198 HydrophobicContact SD-CD2 3.78Å; M124-L198 HydrophobicContact SD-CG 4.01Å |
| 125 | H | 97.2 | Very high | 96.3 | Very high | 57 Ų | 57 | 59.3 Ų | 59.3 | 26% | 0.264 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -66 | -43.4 | 178.1 | -81.5 | -58.4 | 0 | 0 | 0 | 111.5 | E121 K122 R123 L127 A128 E129 F196 | E121-H125 PolarHBondContact O-CD2 2.85Å; E121-H125 PolarHBondContact O-N 2.79Å; K122-H125 PolarHBondContact O-N 2.89Å; R123-H125 VanDerWaalsContact C-N 3.28Å; R123-H125 PolarHBondContact O-N 3.19Å; H125-L127 VanDerWaalsContact C-N 3.27Å; H125-L127 PolarHBondContact O-N 3.3Å; H125-A128 PolarHBondContact O-N 3.49Å; H125-E129 WeakPolarHBondContact O-CB 3.4Å; H125-E129 WeakPolarHBondContact O-CG 3.49Å; H125-E129 PolarHBondContact O-N 3.36Å; H125-F196 HydrophobicContact CB-CZ 4.34Å; H125-F196 AromaticContact CD2-CZ 4Å; H125-F196 AromaticContact CE1-CE1 3.9Å; H125-F196 AromaticContact CE1-CE2 3.79Å; H125-F196 AromaticContact CE1-CZ 3.54Å; H125-F196 AromaticContact CG-CZ 3.66Å; H125-F196 AromaticContact ND1-CE1 3.72Å; H125-F196 AromaticContact ND1-CZ 3.37Å; H125-F196 WeakPolarHBondContact ND1-CZ 3.5Å; H125-F196 AromaticContact NE2-CE2 3.84Å; H125-F196 AromaticContact NE2-CZ 3.96Å |
| 126 | E | 97.2 | Very high | 96.5 | Very high | 69 Ų | 69 | 53.8 Ų | 53.8 | 32% | 0.322 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -57.9 | -40 | 174.9 | -69.3 | 171.1 | -173.7 | 0 | 0 | 111.7 | K122 R123 | K122-E126 WeakPolarHBondContact CE-OE1 3.45Å; K122-E126 IonicContact NZ-OE1 3.09Å; K122-E126 PolarHBondContact NZ-OE1 2.88Å; K122-E126 WeakPolarHBondContact O-CG 3.46Å; K122-E126 PolarHBondContact O-N 2.81Å; R123-E126 WeakPolarHBondContact CD-OE2 3.35Å; R123-E126 IonicContact CZ-OE2 3.96Å; R123-E126 IonicContact NH1-OE2 3.94Å; R123-E126 PolarHBondContact NH1-OE2 3.25Å; R123-E126 PolarHBondContact O-N 3.28Å |
| 127 | L | 97.1 | Very high | 96.5 | Very high | 0 Ų | 0 | 57.4 Ų | 57.4 | 0% | 0 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -70.6 | -43.2 | 176.9 | -71.3 | 173.9 | 0 | 0 | 0 | 112.7 | L78 H81 A82 R123 M124 H125 E129 K130 Y132 | L78-L127 HydrophobicContact CD1-CB 3.54Å; L78-L127 HydrophobicContact CD1-CD1 4.04Å; L78-L127 HydrophobicContact CD1-CG 4.47Å; H81-L127 HydrophobicContact CB-CD1 4.25Å; A82-L127 HydrophobicContact CB-CD1 4.01Å; R123-L127 WeakPolarHBondContact O-CG 3.47Å; R123-L127 PolarHBondContact O-N 3.19Å; M124-L127 PolarHBondContact O-N 3.48Å; H125-L127 VanDerWaalsContact C-N 3.27Å; H125-L127 PolarHBondContact O-N 3.3Å; L127-E129 VanDerWaalsContact C-N 3.31Å; L127-E129 PolarHBondContact O-N 2.96Å; L127-K130 HydrophobicContact CD2-CD 4.48Å; L127-K130 WeakPolarHBondContact O-CB 3.2Å; L127-K130 PolarHBondContact O-N 2.81Å; L127-Y132 HydrophobicContact CB-CE1 4.45Å; L127-Y132 WeakPolarHBondContact O-CE1 3.28Å |
| 128 | A | 96.5 | Very high | 96.4 | Very high | 0 Ų | 0 | 63.3 Ų | 63.3 | 0% | 0 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -62.1 | -39.2 | 176.2 | 0 | 0 | 0 | 0 | 0 | 111.8 | L78 M124 H125 K130 N131 C193 H194 F196 | L78-A128 HydrophobicContact CD2-CB 4.03Å; M124-A128 WeakPolarHBondContact O-CB 3.35Å; M124-A128 PolarHBondContact O-N 3.18Å; H125-A128 PolarHBondContact O-N 3.49Å; A128-K130 PolarHBondContact O-N 2.78Å; A128-K130 VanDerWaalsContact O-N 3.17Å; A128-N131 PolarHBondContact O-N 2.74Å; A128-C193 WeakPolarHBondContact CB-O 3.08Å; A128-H194 PolarHBondContact O-CE1 2.87Å; A128-F196 HydrophobicContact CB-CE1 4.18Å |
| 129 | E | 96.2 | Very high | 96.4 | Very high | 137 Ų | 137 | 57.9 Ų | 57.9 | 64% | 0.64 | 28% | 0.276 | S | S | * | . | H | α-helix | trans | -60.2 | -22.7 | 177.9 | -79.1 | -178.3 | 175.9 | 0 | 0 | 113.9 | H125 L127 N131 | H125-E129 WeakPolarHBondContact O-CB 3.4Å; H125-E129 WeakPolarHBondContact O-CG 3.49Å; H125-E129 PolarHBondContact O-N 3.36Å; L127-E129 VanDerWaalsContact C-N 3.31Å; L127-E129 PolarHBondContact O-N 2.96Å; E129-N131 PolarHBondContact O-N 3.49Å; E129-N131 PolarHBondContact O-ND2 2.93Å; E129-N131 VanDerWaalsContact O-ND2 3.08Å |
| 130 | K | 96.6 | Very high | 96.3 | Very high | 100 Ų | 100 | 58.6 Ų | 58.6 | 44% | 0.435 | 28% | 0.278 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -68.2 | -22.1 | 173.8 | -64.1 | -177.7 | 177.2 | -174.9 | 0 | 113.5 | L127 A128 Y132 E176 | L127-K130 HydrophobicContact CD2-CD 4.48Å; L127-K130 WeakPolarHBondContact O-CB 3.2Å; L127-K130 PolarHBondContact O-N 2.81Å; A128-K130 PolarHBondContact O-N 2.78Å; A128-K130 VanDerWaalsContact O-N 3.17Å; K130-Y132 HydrophobicContact CB-CD1 4.08Å; K130-Y132 HydrophobicContact CD-CD1 4.42Å; K130-Y132 PolarHBondContact O-N 3.34Å; K130-E176 WeakPolarHBondContact CD-OE1 3.4Å; K130-E176 WeakPolarHBondContact CD-OE2 3.14Å; K130-E176 IonicContact NZ-OE1 3.68Å; K130-E176 PolarHBondContact NZ-OE1 2.78Å; K130-E176 IonicContact NZ-OE2 2.93Å; K130-E176 PolarHBondContact NZ-OE2 2.84Å |
| 131 | N | 95.9 | Very high | 96.2 | Very high | 68 Ų | 68 | 59.7 Ų | 59.7 | 36% | 0.364 | 28% | 0.282 | S | S | . | . | trans | 48.8 | 43.4 | -176.1 | -53.5 | -69.5 | 0 | 0 | 0 | 113 | A128 E129 N189 R191 H194 | A128-N131 PolarHBondContact O-N 2.74Å; E129-N131 PolarHBondContact O-N 3.49Å; E129-N131 PolarHBondContact O-ND2 2.93Å; E129-N131 VanDerWaalsContact O-ND2 3.08Å; N131-N189 PolarHBondContact O-ND2 2.82Å; N131-N189 PolarHBondContact O-OD1 3.32Å; N131-R191 HydrophobicContact CB-CB 4.33Å; N131-R191 VanDerWaalsContact OD1-CA 3.24Å; N131-R191 WeakPolarHBondContact OD1-CA 3.43Å; N131-R191 WeakPolarHBondContact OD1-CB 3.39Å; N131-H194 PolarHBondContact OD1-CE1 3.26Å; N131-H194 PolarHBondContact OD1-NE2 3.22Å | ||
| 132 | Y | 97.1 | Very high | 96 | Very high | 22 Ų | 22 | 64.5 Ų | 64.5 | 9% | 0.086 | 31% | 0.305 | C | S | . | . | P | Polyproline II helix | trans | -72.3 | 155.8 | 176.8 | 63 | -99.4 | 0 | 0 | 0 | 111.3 | H81 L127 K130 H175 E176 N189 M190 | H81-Y132 AromaticContact ND1-CZ 3.86Å; H81-Y132 PolarHBondContact ND1-OH 3.19Å; H81-Y132 VanDerWaalsContact ND1-OH 3.16Å; L127-Y132 HydrophobicContact CB-CE1 4.45Å; L127-Y132 WeakPolarHBondContact O-CE1 3.28Å; K130-Y132 HydrophobicContact CB-CD1 4.08Å; K130-Y132 HydrophobicContact CD-CD1 4.42Å; K130-Y132 PolarHBondContact O-N 3.34Å; Y132-H175 HydrophobicContact CE2-CB 3.61Å; Y132-H175 AromaticContact CE2-CG 3.99Å; Y132-H175 AromaticContact CE2-ND1 3.64Å; Y132-H175 WeakPolarHBondContact OH-CB 3.32Å; Y132-E176 HydrophobicContact CD1-CG 3.9Å; Y132-E176 HydrophobicContact CD2-CG 4.07Å; Y132-E176 HydrophobicContact CE1-CG 4.35Å; Y132-E176 HydrophobicContact CG-CG 3.75Å; Y132-N189 WeakPolarHBondContact O-CA 3.44Å; Y132-N189 PolarHBondContact O-ND2 2.88Å; Y132-M190 HydrophobicContact CD1-CB 4.5Å; Y132-M190 HydrophobicContact CD1-CG 3.96Å; Y132-M190 HydrophobicContact CD2-CG 3.7Å; Y132-M190 HydrophobicContact CE1-CB 4.4Å; Y132-M190 HydrophobicContact CE1-CG 3.62Å; Y132-M190 HydrophobicContact CE2-CG 3.32Å; Y132-M190 HydrophobicContact CE2-SD 4.04Å; Y132-M190 HydrophobicContact CG-CG 4Å; Y132-M190 PolarHBondContact O-N 2.79Å |
| 133 | D | 97.1 | Very high | 95.9 | Very high | 98 Ų | 98 | 61.5 Ų | 61.5 | 52% | 0.524 | 29% | 0.293 | S | S | . | . | B | Isolated β-bridge | trans | -79 | 141 | 175.8 | -63.2 | -42.8 | 0 | 0 | 0 | 111 | P188 N189 | D133-P188 WeakPolarHBondContact CA-O 3.22Å; D133-N189 PolarHBondContact OD1-ND2 2.73Å |
| 134 | V | 97.2 | Very high | 95.7 | Very high | 14 Ų | 14 | 58.4 Ų | 58.4 | 9% | 0.085 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.4 | 116 | 173.3 | -176.6 | 0 | 0 | 0 | 0 | 107.5 | Y173 H186 V187 P188 M190 | V134-Y173 HydrophobicContact CG1-CD1 4.2Å; V134-H186 HydrophobicContact CG1-CB 4.42Å; V134-V187 VanDerWaalsContact CB-O 3.27Å; V134-V187 WeakPolarHBondContact CB-O 3.39Å; V134-V187 HydrophobicContact CG2-CG2 4.33Å; V134-V187 VanDerWaalsContact CG2-O 3.3Å; V134-V187 WeakPolarHBondContact CG2-O 3.11Å; V134-P188 PolarHBondContact N-O 2.86Å; V134-M190 HydrophobicContact CG2-CG 4.39Å; V134-M190 HydrophobicContact CG2-SD 3.72Å |
| 135 | I | 96.6 | Very high | 95.5 | Very high | 108 Ų | 108 | 62.6 Ų | 62.6 | 55% | 0.554 | 30% | 0.297 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -100.3 | 116.6 | -174 | -57 | 172.3 | 0 | 0 | 0 | 108.5 | F174 | I135-F174 HydrophobicContact CB-CB 4.25Å; I135-F174 PolarHBondContact N-O 2.68Å; I135-F174 WeakPolarHBondContact O-CD2 3.39Å; I135-F174 PolarHBondContact O-N 2.65Å |
| 136 | K | 96.1 | Very high | 95.4 | Very high | 38 Ų | 38 | 64.8 Ų | 64.8 | 17% | 0.165 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.1 | 131.4 | 172.7 | -178.3 | -179.2 | -178 | 175.5 | 0 | 109.9 | D46 D49 L172 Y173 | D46-K136 HydrophobicContact CB-CD 4.02Å; D46-K136 WeakPolarHBondContact OD2-CD 3.41Å; D46-K136 WeakPolarHBondContact OD2-CE 3.37Å; D46-K136 IonicContact OD2-NZ 3.55Å; D46-K136 PolarHBondContact OD2-NZ 2.88Å; D49-K136 WeakPolarHBondContact OD1-CE 3.42Å; D49-K136 IonicContact OD1-NZ 2.78Å; D49-K136 PolarHBondContact OD1-NZ 2.86Å; D49-K136 IonicContact OD2-NZ 2.8Å; D49-K136 PolarHBondContact OD2-NZ 3.31Å; K136-L172 CarbonylContact C-O 3.55Å; K136-L172 WeakPolarHBondContact CA-O 3.48Å; K136-Y173 HydrophobicContact CB-CD1 4.2Å; K136-Y173 HydrophobicContact CB-CE1 3.98Å; K136-Y173 HydrophobicContact CD-CE1 3.91Å; K136-Y173 WeakPolarHBondContact CE-OH 3.48Å; K136-Y173 HydrophobicContact CG-CD1 4.41Å; K136-Y173 HydrophobicContact CG-CE1 3.86Å |
| 137 | K | 94.6 | Very high | 95.3 | Very high | 97 Ų | 97 | 63.1 Ų | 63.1 | 42% | 0.422 | 30% | 0.302 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.8 | 117.4 | 168.6 | -166.1 | -173.4 | 179.6 | -163.5 | 0 | 109 | V139 E143 L172 F174 | K137-V139 HydrophobicContact CB-CG1 4.3Å; K137-V139 HydrophobicContact CD-CG1 3.67Å; K137-V139 HydrophobicContact CG-CG1 3.76Å; K137-E143 IonicContact NZ-OE1 2.68Å; K137-E143 PolarHBondContact NZ-OE1 3.06Å; K137-L172 PolarHBondContact N-O 3.37Å; K137-L172 PolarHBondContact O-N 2.86Å; K137-F174 HydrophobicContact CB-CD2 4.42Å; K137-F174 HydrophobicContact CB-CE2 3.85Å; K137-F174 HydrophobicContact CD-CE2 4.44Å |
| 138 | K | 92.9 | Very high | 95.2 | Very high | 130 Ų | 130 | 63.2 Ų | 63.2 | 57% | 0.565 | 30% | 0.302 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -77.1 | 122.5 | 167.2 | -70.2 | -176.9 | -179.5 | 177.9 | 0 | 108 | D49 | D49-K138 IonicContact OD1-NZ 3.59Å |
| 139 | V | 93.5 | Very high | 95.1 | Very high | 5 Ų | 5 | 65.6 Ų | 65.6 | 3% | 0.03 | 32% | 0.322 | C | S | . | . | trans | -123.7 | 166.9 | -176.5 | -62.5 | 0 | 0 | 0 | 0 | 110.5 | K137 E143 A144 K169 P170 L172 | K137-V139 HydrophobicContact CB-CG1 4.3Å; K137-V139 HydrophobicContact CD-CG1 3.67Å; K137-V139 HydrophobicContact CG-CG1 3.76Å; V139-E143 HydrophobicContact CB-CB 4.09Å; V139-E143 HydrophobicContact CB-CG 4Å; V139-E143 WeakPolarHBondContact CB-OE2 3.5Å; V139-E143 VanDerWaalsContact CG1-CD 3.45Å; V139-E143 HydrophobicContact CG1-CG 4.16Å; V139-E143 WeakPolarHBondContact CG1-OE1 3.3Å; V139-A144 HydrophobicContact CG2-CB 3.8Å; V139-K169 CarbonylContact O-C 3.53Å; V139-K169 VanDerWaalsContact O-CA 3.25Å; V139-K169 WeakPolarHBondContact O-CA 3.48Å; V139-P170 PolarHBondContact N-O 2.93Å; V139-P170 VanDerWaalsContact N-O 3.11Å; V139-P170 WeakPolarHBondContact O-CD 3.46Å; V139-L172 HydrophobicContact CG1-CD1 4.04Å; V139-L172 HydrophobicContact CG1-CG 4.4Å; V139-L172 HydrophobicContact CG2-CD1 3.75Å; V139-L172 HydrophobicContact CG2-CG 3.71Å | ||
| 140 | S | 94.7 | Very high | 94.9 | Very high | 61 Ų | 61 | 65 Ų | 65 | 43% | 0.427 | 32% | 0.323 | S | S | . | . | trans | -68 | 155.1 | 169.4 | 68.1 | 0 | 0 | 0 | 0 | 110.9 | H142 E143 A144 | S140-H142 PolarHBondContact O-N 3.2Å; S140-E143 PolarHBondContact O-N 3.15Å; S140-E143 WeakPolarHBondContact OG-CB 3.04Å; S140-E143 PolarHBondContact OG-N 2.79Å; S140-A144 PolarHBondContact O-N 3.25Å | ||
| 141 | W | 93.9 | Very high | 94.8 | Very high | 24 Ų | 24 | 64.9 Ų | 64.9 | 9% | 0.091 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -51.8 | -41.3 | 172.9 | -176.6 | 99.8 | 0 | 0 | 0 | 112.4 | A144 R145 L160 D161 I164 H166 | W141-A144 PolarHBondContact O-N 3.11Å; W141-R145 HydrophobicContact CH2-CG 4.48Å; W141-R145 HydrophobicContact CZ3-CB 4.4Å; W141-R145 VanDerWaalsContact CZ3-CD 3.49Å; W141-R145 WeakPolarHBondContact O-CB 3.41Å; W141-R145 PolarHBondContact O-N 2.83Å; W141-L160 PolarHBondContact NE1-O 3.45Å; W141-D161 WeakPolarHBondContact CH2-OD1 3.33Å; W141-D161 WeakPolarHBondContact CZ2-OD1 3.48Å; W141-I164 PolarHBondContact NE1-O 2.56Å; W141-H166 WeakPolarHBondContact CB-O 3.5Å; W141-H166 AromaticContact CE3-CD2 3.91Å; W141-H166 AromaticContact CH2-CD2 3.91Å; W141-H166 AromaticContact CH2-NE2 3.45Å; W141-H166 WeakPolarHBondContact CH2-NE2 3.31Å; W141-H166 AromaticContact CZ2-CE1 3.82Å; W141-H166 AromaticContact CZ2-NE2 3.66Å; W141-H166 AromaticContact CZ3-CD2 3.81Å; W141-H166 AromaticContact CZ3-NE2 3.82Å |
| 142 | H | 93.6 | Very high | 94.6 | Very high | 130 Ų | 130 | 63.7 Ų | 63.7 | 60% | 0.602 | 32% | 0.324 | S | S | * | . | H | α-helix | trans | -64.6 | -45.5 | 179.5 | -165.2 | 72.1 | 0 | 0 | 0 | 112.3 | S140 A144 R145 E146 | S140-H142 PolarHBondContact O-N 3.2Å; H142-A144 PolarHBondContact O-N 3.45Å; H142-R145 PolarHBondContact O-N 3.36Å; H142-E146 WeakPolarHBondContact O-CB 3.29Å; H142-E146 PolarHBondContact O-N 3.08Å |
| 143 | E | 94.6 | Very high | 94.5 | Very high | 69 Ų | 69 | 63 Ų | 63 | 32% | 0.322 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -63.8 | -39.6 | 177 | -178.5 | -178.1 | 172.8 | 0 | 0 | 111.6 | K137 V139 S140 T147 | K137-E143 IonicContact NZ-OE1 2.68Å; K137-E143 PolarHBondContact NZ-OE1 3.06Å; V139-E143 HydrophobicContact CB-CB 4.09Å; V139-E143 HydrophobicContact CB-CG 4Å; V139-E143 WeakPolarHBondContact CB-OE2 3.5Å; V139-E143 VanDerWaalsContact CG1-CD 3.45Å; V139-E143 HydrophobicContact CG1-CG 4.16Å; V139-E143 WeakPolarHBondContact CG1-OE1 3.3Å; S140-E143 PolarHBondContact O-N 3.15Å; S140-E143 WeakPolarHBondContact OG-CB 3.04Å; S140-E143 PolarHBondContact OG-N 2.79Å; E143-T147 WeakPolarHBondContact O-CB 3.45Å; E143-T147 PolarHBondContact O-N 3.44Å; E143-T147 PolarHBondContact O-OG1 3.17Å |
| 144 | A | 93.7 | Very high | 94.3 | Very high | 0 Ų | 0 | 61 Ų | 61 | 0% | 0 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -61.5 | -49.5 | 174.3 | 0 | 0 | 0 | 0 | 0 | 111.2 | V139 S140 W141 H142 E146 T147 F148 L160 P170 L172 | V139-A144 HydrophobicContact CG2-CB 3.8Å; S140-A144 PolarHBondContact O-N 3.25Å; W141-A144 PolarHBondContact O-N 3.11Å; H142-A144 PolarHBondContact O-N 3.45Å; A144-E146 PolarHBondContact O-N 3.27Å; A144-T147 WeakPolarHBondContact O-CB 3.47Å; A144-T147 PolarHBondContact O-N 3.03Å; A144-F148 WeakPolarHBondContact O-CD2 3.24Å; A144-F148 PolarHBondContact O-N 2.68Å; A144-F148 VanDerWaalsContact O-N 3.13Å; A144-L160 HydrophobicContact CB-CD1 4.1Å; A144-L160 HydrophobicContact CB-CD2 4.12Å; A144-P170 HydrophobicContact CB-CB 4.2Å; A144-P170 HydrophobicContact CB-CG 4.18Å; A144-L172 HydrophobicContact CB-CD2 4.4Å |
| 145 | R | 93.9 | Very high | 94.2 | Very high | 87 Ų | 87 | 61.6 Ų | 61.6 | 33% | 0.328 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -61.8 | -45.3 | 179.9 | -173.2 | 176.1 | -168.4 | -79.8 | -1.6 | 112.2 | W141 H142 T147 F148 A149 V157 L160 D161 | W141-R145 HydrophobicContact CH2-CG 4.48Å; W141-R145 HydrophobicContact CZ3-CB 4.4Å; W141-R145 VanDerWaalsContact CZ3-CD 3.49Å; W141-R145 WeakPolarHBondContact O-CB 3.41Å; W141-R145 PolarHBondContact O-N 2.83Å; H142-R145 PolarHBondContact O-N 3.36Å; R145-T147 VanDerWaalsContact C-N 3.33Å; R145-T147 PolarHBondContact O-N 3.42Å; R145-F148 PolarHBondContact O-N 3.35Å; R145-A149 VanDerWaalsContact O-CB 3.29Å; R145-A149 WeakPolarHBondContact O-CB 3.39Å; R145-A149 PolarHBondContact O-N 2.78Å; R145-V157 HydrophobicContact CG-CG1 4.27Å; R145-L160 HydrophobicContact CB-CD1 4.23Å; R145-D161 WeakPolarHBondContact CD-OD1 3.33Å; R145-D161 IonicContact CZ-OD1 3.66Å; R145-D161 IonicContact CZ-OD2 3.6Å; R145-D161 IonicContact NE-OD1 2.74Å; R145-D161 PolarHBondContact NE-OD1 2.81Å; R145-D161 IonicContact NE-OD2 3.38Å; R145-D161 PolarHBondContact NE-OD2 3.38Å; R145-D161 IonicContact NH2-OD1 3.69Å; R145-D161 IonicContact NH2-OD2 2.9Å; R145-D161 PolarHBondContact NH2-OD2 3.31Å |
| 146 | E | 95.1 | Very high | 94 | Very high | 104 Ų | 104 | 56.9 Ų | 56.9 | 49% | 0.486 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -60.9 | -43.3 | 176.7 | -167.5 | -170.6 | 172.5 | 0 | 0 | 111.1 | H142 A144 F148 A149 N150 | H142-E146 WeakPolarHBondContact O-CB 3.29Å; H142-E146 PolarHBondContact O-N 3.08Å; A144-E146 PolarHBondContact O-N 3.27Å; E146-F148 PolarHBondContact O-N 2.86Å; E146-A149 PolarHBondContact O-N 3.44Å; E146-N150 WeakPolarHBondContact O-CB 3.26Å; E146-N150 VanDerWaalsContact O-CG 3.24Å; E146-N150 PolarHBondContact O-N 3.48Å; E146-N150 PolarHBondContact O-ND2 2.91Å |
| 147 | T | 94.3 | Very high | 93.9 | Very high | 34 Ų | 34 | 56.1 Ų | 56.1 | 21% | 0.209 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -56.7 | -47 | 177.1 | -62.1 | 0 | 0 | 0 | 0 | 111.8 | E143 A144 R145 R151 L172 V179 | E143-T147 WeakPolarHBondContact O-CB 3.45Å; E143-T147 PolarHBondContact O-N 3.44Å; E143-T147 PolarHBondContact O-OG1 3.17Å; A144-T147 WeakPolarHBondContact O-CB 3.47Å; A144-T147 PolarHBondContact O-N 3.03Å; R145-T147 VanDerWaalsContact C-N 3.33Å; R145-T147 PolarHBondContact O-N 3.42Å; T147-R151 VanDerWaalsContact O-CG 3.23Å; T147-R151 WeakPolarHBondContact O-CG 3.25Å; T147-R151 PolarHBondContact O-N 2.96Å; T147-L172 HydrophobicContact CG2-CD1 4.29Å; T147-V179 HydrophobicContact CG2-CG1 3.98Å |
| 148 | F | 95 | Very high | 93.8 | Very high | 1 Ų | 1 | 52.6 Ų | 52.6 | 0% | 0.004 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -76.1 | -33.3 | 179.8 | -70.1 | -63.7 | 0 | 0 | 0 | 113.4 | A144 R145 E146 R151 G152 E153 K156 V157 L160 L172 V179 M181 | A144-F148 WeakPolarHBondContact O-CD2 3.24Å; A144-F148 PolarHBondContact O-N 2.68Å; A144-F148 VanDerWaalsContact O-N 3.13Å; R145-F148 PolarHBondContact O-N 3.35Å; E146-F148 PolarHBondContact O-N 2.86Å; F148-R151 CarbonylContact O-C 3.6Å; F148-R151 PolarHBondContact O-N 3.47Å; F148-G152 PolarHBondContact O-N 3.18Å; F148-G152 VanDerWaalsContact O-N 3.12Å; F148-E153 HydrophobicContact CB-CB 4.12Å; F148-E153 HydrophobicContact CD1-CB 3.93Å; F148-E153 HydrophobicContact CD1-CG 4.15Å; F148-E153 HydrophobicContact CG-CB 4.45Å; F148-E153 PolarHBondContact O-N 3.1Å; F148-K156 HydrophobicContact CB-CB 4.02Å; F148-K156 HydrophobicContact CD1-CB 3.74Å; F148-K156 HydrophobicContact CD1-CG 3.92Å; F148-K156 HydrophobicContact CD2-CB 4.05Å; F148-K156 HydrophobicContact CE1-CB 4.25Å; F148-K156 HydrophobicContact CE1-CG 4.12Å; F148-K156 HydrophobicContact CG-CB 3.65Å; F148-K156 HydrophobicContact CG-CG 4.35Å; F148-V157 HydrophobicContact CB-CG2 3.99Å; F148-L160 HydrophobicContact CD2-CD1 3.81Å; F148-L160 HydrophobicContact CE2-CD1 4.4Å; F148-L172 HydrophobicContact CE2-CD2 3.64Å; F148-L172 HydrophobicContact CZ-CD2 3.82Å; F148-V179 HydrophobicContact CE1-CG1 4.43Å; F148-M181 HydrophobicContact CD2-SD 3.94Å; F148-M181 HydrophobicContact CE2-CB 3.61Å; F148-M181 HydrophobicContact CE2-CG 3.63Å; F148-M181 HydrophobicContact CE2-SD 3.46Å; F148-M181 WeakPolarHBondContact CE2-SD 3.32Å; F148-M181 HydrophobicContact CZ-CB 3.59Å; F148-M181 HydrophobicContact CZ-CG 3.68Å; F148-M181 HydrophobicContact CZ-SD 4.11Å |
| 149 | A | 94 | Very high | 93.8 | Very high | 51 Ų | 51 | 47.7 Ų | 47.7 | 42% | 0.421 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -61.8 | -47.8 | 173.5 | 0 | 0 | 0 | 0 | 0 | 111.2 | R145 E146 R151 G152 V157 | R145-A149 VanDerWaalsContact O-CB 3.29Å; R145-A149 WeakPolarHBondContact O-CB 3.39Å; R145-A149 PolarHBondContact O-N 2.78Å; E146-A149 PolarHBondContact O-N 3.44Å; A149-R151 PolarHBondContact O-N 3.46Å; A149-G152 PolarHBondContact O-N 3.16Å; A149-V157 HydrophobicContact CB-CG2 4.38Å |
| 150 | N | 93.6 | Very high | 93.7 | Very high | 125 Ų | 125 | 47.4 Ų | 47.4 | 67% | 0.668 | 26% | 0.255 | S | S | * | . | H | α-helix | trans | -63.7 | -25.6 | 178 | -71.7 | -17.8 | 0 | 0 | 0 | 112.9 | E146 | E146-N150 WeakPolarHBondContact O-CB 3.26Å; E146-N150 VanDerWaalsContact O-CG 3.24Å; E146-N150 PolarHBondContact O-N 3.48Å; E146-N150 PolarHBondContact O-ND2 2.91Å |
| 151 | R | 92.8 | Very high | 93.5 | Very high | 97 Ų | 97 | 47.7 Ų | 47.7 | 37% | 0.366 | 25% | 0.252 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -91.1 | -1.9 | 176.2 | -65.4 | 176 | 81.7 | 117.1 | 4.3 | 113.6 | T147 F148 A149 E153 E177 V179 | T147-R151 VanDerWaalsContact O-CG 3.23Å; T147-R151 WeakPolarHBondContact O-CG 3.25Å; T147-R151 PolarHBondContact O-N 2.96Å; F148-R151 CarbonylContact O-C 3.6Å; F148-R151 PolarHBondContact O-N 3.47Å; A149-R151 PolarHBondContact O-N 3.46Å; R151-E153 VanDerWaalsContact C-N 3.33Å; R151-E153 HydrophobicContact CB-CG 4.1Å; R151-E177 PolarHBondContact NH1-O 2.8Å; R151-E177 PolarHBondContact NH2-O 2.87Å; R151-V179 VanDerWaalsContact CZ-CG1 3.49Å; R151-V179 VanDerWaalsContact NH1-CG1 3.27Å |
| 152 | G | 92.8 | Very high | 93.4 | Very high | 43 Ų | 43 | 51.9 Ų | 51.9 | 44% | 0.443 | 27% | 0.272 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 71.8 | 21 | -179.5 | 0 | 0 | 0 | 0 | 0 | 114.8 | F148 A149 S154 | F148-G152 PolarHBondContact O-N 3.18Å; F148-G152 VanDerWaalsContact O-N 3.12Å; A149-G152 PolarHBondContact O-N 3.16Å; G152-S154 PolarHBondContact O-N 3Å; G152-S154 VanDerWaalsContact O-N 3.14Å |
| 153 | E | 94.1 | Very high | 93.1 | Very high | 7 Ų | 7 | 49.6 Ų | 49.6 | 3% | 0.033 | 27% | 0.265 | C | S | . | . | trans | -87.8 | 71.4 | -175.7 | -64.4 | -65.8 | 172.4 | 0 | 0 | 111.6 | K84 K91 M92 F148 R151 Y155 K156 V157 | K84-E153 WeakPolarHBondContact CE-OE1 3.49Å; K84-E153 IonicContact NZ-OE1 2.71Å; K84-E153 PolarHBondContact NZ-OE1 3.15Å; K91-E153 WeakPolarHBondContact CA-OE2 3.43Å; M92-E153 PolarHBondContact N-OE2 3.33Å; F148-E153 HydrophobicContact CB-CB 4.12Å; F148-E153 HydrophobicContact CD1-CB 3.93Å; F148-E153 HydrophobicContact CD1-CG 4.15Å; F148-E153 HydrophobicContact CG-CB 4.45Å; F148-E153 PolarHBondContact O-N 3.1Å; R151-E153 VanDerWaalsContact C-N 3.33Å; R151-E153 HydrophobicContact CB-CG 4.1Å; E153-Y155 VanDerWaalsContact C-N 3.29Å; E153-Y155 PolarHBondContact O-N 3.37Å; E153-K156 HydrophobicContact CB-CB 4.14Å; E153-K156 HydrophobicContact CB-CG 4.02Å; E153-K156 PolarHBondContact O-N 3Å; E153-K156 VanDerWaalsContact O-N 3.08Å; E153-V157 PolarHBondContact O-N 3.05Å | ||
| 154 | S | 93.5 | Very high | 92.8 | Very high | 55 Ų | 55 | 48 Ų | 48 | 39% | 0.385 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -59.6 | -32.1 | -171.8 | 58.4 | 0 | 0 | 0 | 0 | 114.8 | K91 G152 V157 S158 | K91-S154 WeakPolarHBondContact CD-OG 3.48Å; K91-S154 PolarHBondContact NZ-OG 2.8Å; K91-S154 VanDerWaalsContact NZ-OG 3.07Å; G152-S154 PolarHBondContact O-N 3Å; G152-S154 VanDerWaalsContact O-N 3.14Å; S154-V157 PolarHBondContact O-N 3.17Å; S154-S158 PolarHBondContact O-N 2.63Å; S154-S158 VanDerWaalsContact O-N 3.07Å |
| 155 | Y | 93.9 | Very high | 92.6 | Very high | 27 Ų | 27 | 50.6 Ų | 50.6 | 11% | 0.106 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -69.2 | -37 | 177 | -66.1 | -81.6 | 0 | 0 | 0 | 112 | K91 A93 D107 E153 S158 I159 W206 L215 | K91-Y155 HydrophobicContact CB-CD2 3.92Å; K91-Y155 HydrophobicContact CB-CE2 4.09Å; K91-Y155 HydrophobicContact CD-CD2 4.47Å; K91-Y155 HydrophobicContact CD-CE2 4.24Å; A93-Y155 HydrophobicContact CB-CD1 4.26Å; A93-Y155 HydrophobicContact CB-CD2 4.35Å; A93-Y155 HydrophobicContact CB-CG 3.97Å; D107-Y155 HydrophobicContact CB-CE2 3.54Å; D107-Y155 PolarHBondContact OD2-OH 3.47Å; E153-Y155 VanDerWaalsContact C-N 3.29Å; E153-Y155 PolarHBondContact O-N 3.37Å; Y155-S158 PolarHBondContact O-N 3.02Å; Y155-I159 VanDerWaalsContact O-CG1 3.3Å; Y155-I159 WeakPolarHBondContact O-CG1 3.27Å; Y155-I159 PolarHBondContact O-N 3.28Å; Y155-W206 AromaticContact CD1-CD2 3.81Å; Y155-W206 HydrophobicContact CD1-CD2 3.81Å; Y155-W206 AromaticContact CD1-CE3 3.77Å; Y155-W206 HydrophobicContact CD1-CE3 3.77Å; Y155-W206 HydrophobicContact CD1-CG 4.42Å; Y155-W206 HydrophobicContact CD1-CH2 4.19Å; Y155-W206 HydrophobicContact CD1-CZ2 4.21Å; Y155-W206 AromaticContact CD1-CZ3 3.97Å; Y155-W206 HydrophobicContact CD1-CZ3 3.97Å; Y155-W206 HydrophobicContact CE1-CB 4.5Å; Y155-W206 HydrophobicContact CE1-CD2 4.02Å; Y155-W206 HydrophobicContact CE1-CE3 4.16Å; Y155-W206 HydrophobicContact CE1-CG 4.17Å; Y155-L215 HydrophobicContact CE1-CD2 4.26Å; Y155-L215 HydrophobicContact CE2-CD2 4.39Å; Y155-L215 WeakPolarHBondContact OH-CD2 3.31Å |
| 156 | K | 93.7 | Very high | 92.4 | Very high | 10 Ų | 10 | 52.8 Ų | 52.8 | 4% | 0.043 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -67.7 | -38.5 | 176.8 | -60.1 | -68.2 | 179.9 | 168 | 0 | 111.2 | M92 A93 Y104 F148 E153 I159 L160 D180 M181 | M92-K156 WeakPolarHBondContact O-CE 3.44Å; A93-K156 WeakPolarHBondContact O-CE 3.4Å; A93-K156 PolarHBondContact O-NZ 2.92Å; A93-K156 VanDerWaalsContact O-NZ 3.08Å; Y104-K156 PolarHBondContact OH-NZ 2.97Å; F148-K156 HydrophobicContact CB-CB 4.02Å; F148-K156 HydrophobicContact CD1-CB 3.74Å; F148-K156 HydrophobicContact CD1-CG 3.92Å; F148-K156 HydrophobicContact CD2-CB 4.05Å; F148-K156 HydrophobicContact CE1-CB 4.25Å; F148-K156 HydrophobicContact CE1-CG 4.12Å; F148-K156 HydrophobicContact CG-CB 3.65Å; F148-K156 HydrophobicContact CG-CG 4.35Å; E153-K156 HydrophobicContact CB-CB 4.14Å; E153-K156 HydrophobicContact CB-CG 4.02Å; E153-K156 PolarHBondContact O-N 3Å; E153-K156 VanDerWaalsContact O-N 3.08Å; K156-I159 HydrophobicContact CD-CD1 4.48Å; K156-I159 PolarHBondContact O-N 2.71Å; K156-L160 PolarHBondContact O-N 3.1Å; K156-D180 WeakPolarHBondContact CE-OD1 3.47Å; K156-D180 IonicContact NZ-OD1 3.39Å; K156-D180 PolarHBondContact NZ-OD1 3.25Å; K156-D180 IonicContact NZ-OD2 3.09Å; K156-M181 HydrophobicContact CB-CE 4.04Å; K156-M181 HydrophobicContact CB-SD 4.33Å; K156-M181 HydrophobicContact CD-CE 3.93Å; K156-M181 HydrophobicContact CD-CG 4.09Å; K156-M181 HydrophobicContact CD-SD 4.49Å; K156-M181 VanDerWaalsContact O-CE 3.3Å; K156-M181 WeakPolarHBondContact O-CE 3.44Å |
| 157 | V | 94.4 | Very high | 92.1 | Very high | 21 Ų | 21 | 54.6 Ų | 54.6 | 13% | 0.127 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -60.7 | -46.7 | 172.5 | 177.4 | 0 | 0 | 0 | 0 | 111.1 | R145 F148 A149 E153 S154 I159 L160 D161 | R145-V157 HydrophobicContact CG-CG1 4.27Å; F148-V157 HydrophobicContact CB-CG2 3.99Å; A149-V157 HydrophobicContact CB-CG2 4.38Å; E153-V157 PolarHBondContact O-N 3.05Å; S154-V157 PolarHBondContact O-N 3.17Å; V157-I159 PolarHBondContact O-N 2.96Å; V157-L160 PolarHBondContact O-N 2.8Å; V157-D161 WeakPolarHBondContact O-CB 3.35Å; V157-D161 VanDerWaalsContact O-CG 3.32Å; V157-D161 PolarHBondContact O-N 3.18Å |
| 158 | S | 92.5 | Very high | 91.8 | Very high | 24 Ų | 24 | 57 Ų | 57 | 17% | 0.168 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -60.4 | -41.1 | 175.7 | 155.8 | 0 | 0 | 0 | 0 | 112.5 | S154 Y155 L160 D161 E162 | S154-S158 PolarHBondContact O-N 2.63Å; S154-S158 VanDerWaalsContact O-N 3.07Å; Y155-S158 PolarHBondContact O-N 3.02Å; S158-L160 PolarHBondContact O-N 3.11Å; S158-D161 PolarHBondContact O-N 3.14Å; S158-E162 VanDerWaalsContact O-CB 3.26Å; S158-E162 WeakPolarHBondContact O-CB 3.46Å; S158-E162 VanDerWaalsContact O-CG 3.27Å; S158-E162 WeakPolarHBondContact O-CG 3.26Å; S158-E162 PolarHBondContact O-N 3Å; S158-E162 VanDerWaalsContact OG-CD 3.26Å; S158-E162 PolarHBondContact OG-OE1 2.86Å |
| 159 | I | 91.5 | Very high | 91.6 | Very high | 26 Ų | 26 | 63.9 Ų | 63.9 | 13% | 0.133 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -62.2 | -42.2 | 175 | -66.3 | 163.4 | 0 | 0 | 0 | 111.4 | I94 Y155 K156 V157 N163 M181 W206 | I94-I159 HydrophobicContact CG1-CD1 4.02Å; Y155-I159 VanDerWaalsContact O-CG1 3.3Å; Y155-I159 WeakPolarHBondContact O-CG1 3.27Å; Y155-I159 PolarHBondContact O-N 3.28Å; K156-I159 HydrophobicContact CD-CD1 4.48Å; K156-I159 PolarHBondContact O-N 2.71Å; V157-I159 PolarHBondContact O-N 2.96Å; I159-N163 WeakPolarHBondContact O-CB 3.39Å; I159-N163 PolarHBondContact O-N 3Å; I159-M181 HydrophobicContact CB-CE 3.58Å; I159-M181 HydrophobicContact CD1-CE 4.25Å; I159-M181 HydrophobicContact CG2-CE 3.45Å; I159-M181 VanDerWaalsContact CG2-CE 3.45Å; I159-W206 HydrophobicContact CD1-CH2 3.97Å; I159-W206 HydrophobicContact CG1-CH2 3.83Å; I159-W206 HydrophobicContact CG1-CZ2 4.33Å |
| 160 | L | 91.4 | Very high | 91.5 | Very high | 0 Ų | 0 | 62.1 Ų | 62.1 | 0% | 0 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -64.1 | -43.5 | 176.4 | -81.1 | 160.3 | 0 | 0 | 0 | 112.1 | W141 A144 R145 F148 K156 V157 S158 I164 P170 M181 | W141-L160 PolarHBondContact NE1-O 3.45Å; A144-L160 HydrophobicContact CB-CD1 4.1Å; A144-L160 HydrophobicContact CB-CD2 4.12Å; R145-L160 HydrophobicContact CB-CD1 4.23Å; F148-L160 HydrophobicContact CD2-CD1 3.81Å; F148-L160 HydrophobicContact CE2-CD1 4.4Å; K156-L160 PolarHBondContact O-N 3.1Å; V157-L160 PolarHBondContact O-N 2.8Å; S158-L160 PolarHBondContact O-N 3.11Å; L160-I164 HydrophobicContact CD2-CB 4.39Å; L160-I164 HydrophobicContact CD2-CD1 3.7Å; L160-I164 HydrophobicContact CD2-CG2 4.46Å; L160-I164 HydrophobicContact CG-CD1 4.32Å; L160-P170 HydrophobicContact CD2-CG 3.91Å; L160-M181 HydrophobicContact CD1-SD 3.75Å; L160-M181 HydrophobicContact CD2-SD 4.12Å; L160-M181 HydrophobicContact CG-CE 4.03Å; L160-M181 HydrophobicContact CG-SD 3.66Å |
| 161 | D | 91.9 | Very high | 91.4 | Very high | 66 Ų | 66 | 56.5 Ų | 56.5 | 35% | 0.353 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -69.6 | -34.6 | -178.1 | -70.3 | -11 | 0 | 0 | 0 | 112.1 | W141 R145 V157 S158 | W141-D161 WeakPolarHBondContact CH2-OD1 3.33Å; W141-D161 WeakPolarHBondContact CZ2-OD1 3.48Å; R145-D161 WeakPolarHBondContact CD-OD1 3.33Å; R145-D161 IonicContact CZ-OD1 3.66Å; R145-D161 IonicContact CZ-OD2 3.6Å; R145-D161 IonicContact NE-OD1 2.74Å; R145-D161 PolarHBondContact NE-OD1 2.81Å; R145-D161 IonicContact NE-OD2 3.38Å; R145-D161 PolarHBondContact NE-OD2 3.38Å; R145-D161 IonicContact NH2-OD1 3.69Å; R145-D161 IonicContact NH2-OD2 2.9Å; R145-D161 PolarHBondContact NH2-OD2 3.31Å; V157-D161 WeakPolarHBondContact O-CB 3.35Å; V157-D161 VanDerWaalsContact O-CG 3.32Å; V157-D161 PolarHBondContact O-N 3.18Å; S158-D161 PolarHBondContact O-N 3.14Å |
| 162 | E | 90.1 | Very high | 91.5 | Very high | 112 Ų | 112 | 52 Ų | 52 | 52% | 0.523 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -99.5 | -27.7 | -172.3 | -66.5 | 165.1 | -153.5 | 0 | 0 | 114.7 | S158 R207 | S158-E162 VanDerWaalsContact O-CB 3.26Å; S158-E162 WeakPolarHBondContact O-CB 3.46Å; S158-E162 VanDerWaalsContact O-CG 3.27Å; S158-E162 WeakPolarHBondContact O-CG 3.26Å; S158-E162 PolarHBondContact O-N 3Å; S158-E162 VanDerWaalsContact OG-CD 3.26Å; S158-E162 PolarHBondContact OG-OE1 2.86Å; E162-R207 IonicContact OE2-CZ 2.77Å; E162-R207 IonicContact OE2-NE 2.95Å; E162-R207 IonicContact OE2-NH2 3.83Å; E162-R207 PolarHBondContact OE2-NH2 3.25Å |
| 163 | N | 88.2 | Confident | 91.7 | Very high | 82 Ų | 82 | 50 Ų | 50 | 44% | 0.439 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -125.8 | -5.8 | -166.2 | -57.2 | 133.3 | 0 | 0 | 0 | 115.3 | I159 R207 | I159-N163 WeakPolarHBondContact O-CB 3.39Å; I159-N163 PolarHBondContact O-N 3Å; N163-R207 PolarHBondContact OD1-NH1 3.26Å; N163-R207 VanDerWaalsContact OD1-NH1 3.14Å; N163-R207 PolarHBondContact OD1-NH2 2.73Å |
| 164 | I | 87.4 | Confident | 91.8 | Very high | 36 Ų | 36 | 52.5 Ų | 52.5 | 19% | 0.185 | 28% | 0.277 | C | S | . | . | S | Bend | trans | -123.9 | 125.8 | -176 | -59.2 | 178.3 | 0 | 0 | 0 | 108.4 | W141 L160 D168 P170 | W141-I164 PolarHBondContact NE1-O 2.56Å; L160-I164 HydrophobicContact CD2-CB 4.39Å; L160-I164 HydrophobicContact CD2-CD1 3.7Å; L160-I164 HydrophobicContact CD2-CG2 4.46Å; L160-I164 HydrophobicContact CG-CD1 4.32Å; I164-D168 HydrophobicContact CG2-CB 3.87Å; I164-P170 HydrophobicContact CG2-CG 4.11Å |
| 165 | A | 89.8 | Confident | 92 | Very high | 55 Ų | 55 | 49.9 Ų | 49.9 | 46% | 0.455 | 26% | 0.259 | S | S | . | . | trans | -65.6 | 147.8 | 178 | 0 | 0 | 0 | 0 | 0 | 110.7 | D167 D168 | A165-D167 WeakPolarHBondContact CB-OD1 3.24Å; A165-D167 PolarHBondContact O-N 3.04Å; A165-D168 VanDerWaalsContact O-CB 3.26Å; A165-D168 WeakPolarHBondContact O-CB 3.46Å; A165-D168 PolarHBondContact O-N 2.95Å; A165-D168 VanDerWaalsContact O-N 3.12Å | ||
| 166 | H | 89.8 | Confident | 92 | Very high | 132 Ų | 132 | 52.5 Ų | 52.5 | 61% | 0.611 | 27% | 0.272 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.1 | -20.8 | -173 | -75.2 | 58.9 | 0 | 0 | 0 | 113.4 | W141 | W141-H166 WeakPolarHBondContact CB-O 3.5Å; W141-H166 AromaticContact CE3-CD2 3.91Å; W141-H166 AromaticContact CH2-CD2 3.91Å; W141-H166 AromaticContact CH2-NE2 3.45Å; W141-H166 WeakPolarHBondContact CH2-NE2 3.31Å; W141-H166 AromaticContact CZ2-CE1 3.82Å; W141-H166 AromaticContact CZ2-NE2 3.66Å; W141-H166 AromaticContact CZ3-CD2 3.81Å; W141-H166 AromaticContact CZ3-NE2 3.82Å |
| 167 | D | 90.1 | Very high | 92.1 | Very high | 142 Ų | 142 | 56.8 Ų | 56.8 | 76% | 0.759 | 29% | 0.292 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87.4 | -8.3 | 175.5 | 61.6 | -31.8 | 0 | 0 | 0 | 113.4 | A165 | A165-D167 WeakPolarHBondContact CB-OD1 3.24Å; A165-D167 PolarHBondContact O-N 3.04Å |
| 168 | D | 88.1 | Confident | 92.2 | Very high | 85 Ų | 85 | 56 Ų | 56 | 46% | 0.455 | 29% | 0.287 | S | S | . | . | trans | -71.3 | 160.7 | 176.1 | -159.9 | 1.5 | 0 | 0 | 0 | 111.5 | I164 A165 P170 | I164-D168 HydrophobicContact CG2-CB 3.87Å; A165-D168 VanDerWaalsContact O-CB 3.26Å; A165-D168 WeakPolarHBondContact O-CB 3.46Å; A165-D168 PolarHBondContact O-N 2.95Å; A165-D168 VanDerWaalsContact O-N 3.12Å; D168-P170 WeakPolarHBondContact O-CD 3.37Å | ||
| 169 | K | 89.9 | Confident | 92.3 | Very high | 146 Ų | 146 | 55 Ų | 55 | 64% | 0.635 | 28% | 0.28 | S | S | * | . | trans | -120.6 | 83 | 179.9 | -67 | -176.4 | -177.5 | 176.8 | 0 | 111.2 | V139 | V139-K169 CarbonylContact O-C 3.53Å; V139-K169 VanDerWaalsContact O-CA 3.25Å; V139-K169 WeakPolarHBondContact O-CA 3.48Å | ||
| 170 | P | 90.9 | Very high | 92.5 | Very high | 13 Ų | 13 | 53.9 Ų | 53.9 | 8% | 0.084 | 27% | 0.274 | C | S | . | . | P | Polyproline II helix | trans | -56.1 | 139.9 | -179.2 | -25.3 | 34.7 | 0 | 0 | 0 | 112.9 | V139 A144 L160 I164 D168 | V139-P170 PolarHBondContact N-O 2.93Å; V139-P170 VanDerWaalsContact N-O 3.11Å; V139-P170 WeakPolarHBondContact O-CD 3.46Å; A144-P170 HydrophobicContact CB-CB 4.2Å; A144-P170 HydrophobicContact CB-CG 4.18Å; L160-P170 HydrophobicContact CD2-CG 3.91Å; I164-P170 HydrophobicContact CG2-CG 4.11Å; D168-P170 WeakPolarHBondContact O-CD 3.37Å |
| 171 | G | 92.5 | Very high | 92.5 | Very high | 8 Ų | 8 | 54.7 Ų | 54.7 | 8% | 0.082 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.1 | 118 | 170.5 | 0 | 0 | 0 | 0 | 0 | 111.1 | C182 | G171-C182 PolarHBondContact O-N 2.91Å |
| 172 | L | 95.9 | Very high | 92.3 | Very high | 1 Ų | 1 | 53.4 Ų | 53.4 | 1% | 0.005 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.2 | 126.8 | 167.2 | -61.8 | -173.8 | 0 | 0 | 0 | 109.8 | K136 K137 V139 A144 T147 F148 F174 V179 M181 | K136-L172 CarbonylContact C-O 3.55Å; K136-L172 WeakPolarHBondContact CA-O 3.48Å; K137-L172 PolarHBondContact N-O 3.37Å; K137-L172 PolarHBondContact O-N 2.86Å; V139-L172 HydrophobicContact CG1-CD1 4.04Å; V139-L172 HydrophobicContact CG1-CG 4.4Å; V139-L172 HydrophobicContact CG2-CD1 3.75Å; V139-L172 HydrophobicContact CG2-CG 3.71Å; A144-L172 HydrophobicContact CB-CD2 4.4Å; T147-L172 HydrophobicContact CG2-CD1 4.29Å; F148-L172 HydrophobicContact CE2-CD2 3.64Å; F148-L172 HydrophobicContact CZ-CD2 3.82Å; L172-F174 HydrophobicContact CB-CD2 4.42Å; L172-F174 HydrophobicContact CB-CE2 3.73Å; L172-F174 HydrophobicContact CB-CZ 4.3Å; L172-F174 HydrophobicContact CD1-CE2 4.49Å; L172-F174 HydrophobicContact CD1-CZ 4.33Å; L172-V179 HydrophobicContact CB-CG2 3.91Å; L172-V179 HydrophobicContact CD1-CG2 4.44Å; L172-M181 HydrophobicContact CD2-CB 3.95Å |
| 173 | Y | 96.5 | Very high | 92.2 | Very high | 1 Ų | 1 | 58.8 Ų | 58.8 | 0% | 0.004 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.1 | 111.9 | 178.7 | -64.9 | -89.7 | 0 | 0 | 0 | 109.6 | D46 V134 K136 V179 D180 C182 G184 H186 | D46-Y173 PolarHBondContact OD2-OH 3.12Å; V134-Y173 HydrophobicContact CG1-CD1 4.2Å; K136-Y173 HydrophobicContact CB-CD1 4.2Å; K136-Y173 HydrophobicContact CB-CE1 3.98Å; K136-Y173 HydrophobicContact CD-CE1 3.91Å; K136-Y173 WeakPolarHBondContact CE-OH 3.48Å; K136-Y173 HydrophobicContact CG-CD1 4.41Å; K136-Y173 HydrophobicContact CG-CE1 3.86Å; Y173-V179 WeakPolarHBondContact O-CA 3.37Å; Y173-D180 PolarHBondContact N-O 2.77Å; Y173-D180 PolarHBondContact O-N 2.81Å; Y173-D180 VanDerWaalsContact O-N 3.12Å; Y173-C182 HydrophobicContact CD2-CB 4.24Å; Y173-C182 HydrophobicContact CE2-CB 4.06Å; Y173-C182 WeakPolarHBondContact CE2-O 3.5Å; Y173-G184 WeakPolarHBondContact OH-CA 3.27Å; Y173-H186 HydrophobicContact CD1-CB 3.86Å; Y173-H186 AromaticContact CD1-CD2 3.44Å; Y173-H186 VanDerWaalsContact CD1-CD2 3.44Å; Y173-H186 WeakPolarHBondContact CD1-CD2 3.41Å; Y173-H186 AromaticContact CD1-CG 3.83Å; Y173-H186 AromaticContact CD2-CD2 3.73Å; Y173-H186 HydrophobicContact CE1-CB 3.93Å; Y173-H186 AromaticContact CE1-CD2 3.41Å; Y173-H186 VanDerWaalsContact CE1-CD2 3.41Å; Y173-H186 WeakPolarHBondContact CE1-CD2 3.4Å; Y173-H186 AromaticContact CE2-CD2 3.71Å; Y173-H186 AromaticContact CG-CD2 3.6Å; Y173-H186 AromaticContact CZ-CD2 3.56Å |
| 174 | F | 96.7 | Very high | 92 | Very high | 60 Ų | 60 | 55.9 Ų | 55.9 | 26% | 0.263 | 28% | 0.279 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.4 | 125.8 | 179.4 | -66 | -97.2 | 0 | 0 | 0 | 110.2 | I135 K137 L172 Y178 V179 | I135-F174 HydrophobicContact CB-CB 4.25Å; I135-F174 PolarHBondContact N-O 2.68Å; I135-F174 WeakPolarHBondContact O-CD2 3.39Å; I135-F174 PolarHBondContact O-N 2.65Å; K137-F174 HydrophobicContact CB-CD2 4.42Å; K137-F174 HydrophobicContact CB-CE2 3.85Å; K137-F174 HydrophobicContact CD-CE2 4.44Å; L172-F174 HydrophobicContact CB-CD2 4.42Å; L172-F174 HydrophobicContact CB-CE2 3.73Å; L172-F174 HydrophobicContact CB-CZ 4.3Å; L172-F174 HydrophobicContact CD1-CE2 4.49Å; L172-F174 HydrophobicContact CD1-CZ 4.33Å; F174-Y178 WeakPolarHBondContact CA-O 3.41Å; F174-V179 HydrophobicContact CD1-CB 4.03Å; F174-V179 HydrophobicContact CD1-CG2 3.85Å; F174-V179 HydrophobicContact CD2-CG2 4.17Å; F174-V179 HydrophobicContact CE1-CB 4.03Å; F174-V179 HydrophobicContact CE1-CG2 3.68Å; F174-V179 HydrophobicContact CE2-CG2 4Å; F174-V179 HydrophobicContact CG-CG2 4.09Å; F174-V179 HydrophobicContact CZ-CG2 3.76Å |
| 175 | H | 96.5 | Very high | 92.4 | Very high | 0 Ų | 0 | 54.7 Ų | 54.7 | 0% | 0 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.4 | 84.6 | 174.8 | -66.8 | -92.7 | 0 | 0 | 0 | 107.8 | H77 H81 Y132 E177 Y178 | H77-H175 VanDerWaalsContact CB-NE2 3.34Å; H77-H175 WeakPolarHBondContact CB-NE2 3.43Å; H77-H175 AromaticContact CG-NE2 3.73Å; H77-H175 AromaticContact ND1-NE2 3.29Å; H77-H175 PolarHBondContact ND1-NE2 3.17Å; H81-H175 PolarHBondContact CE1-O 2.88Å; H81-H175 PolarHBondContact ND1-O 3.27Å; Y132-H175 HydrophobicContact CE2-CB 3.61Å; Y132-H175 AromaticContact CE2-CG 3.99Å; Y132-H175 AromaticContact CE2-ND1 3.64Å; Y132-H175 WeakPolarHBondContact OH-CB 3.32Å; H175-E177 PolarHBondContact O-N 2.87Å; H175-E177 VanDerWaalsContact O-N 3.16Å; H175-Y178 HydrophobicContact CB-CD1 4.2Å; H175-Y178 PolarHBondContact N-O 2.83Å; H175-Y178 PolarHBondContact O-N 2.8Å |
| 176 | E | 95.1 | Very high | 92.7 | Very high | 82 Ų | 82 | 52.2 Ų | 52.2 | 38% | 0.383 | 25% | 0.252 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 53.2 | -115.1 | -166.7 | -58.5 | -178.9 | 121.6 | 0 | 0 | 110.7 | H81 K130 Y132 | H81-E176 IonicContact CE1-OE2 3.88Å; K130-E176 WeakPolarHBondContact CD-OE1 3.4Å; K130-E176 WeakPolarHBondContact CD-OE2 3.14Å; K130-E176 IonicContact NZ-OE1 3.68Å; K130-E176 PolarHBondContact NZ-OE1 2.78Å; K130-E176 IonicContact NZ-OE2 2.93Å; K130-E176 PolarHBondContact NZ-OE2 2.84Å; Y132-E176 HydrophobicContact CD1-CG 3.9Å; Y132-E176 HydrophobicContact CD2-CG 4.07Å; Y132-E176 HydrophobicContact CE1-CG 4.35Å; Y132-E176 HydrophobicContact CG-CG 3.75Å |
| 177 | E | 94 | Very high | 93 | Very high | 100 Ų | 100 | 46 Ų | 46 | 47% | 0.467 | 22% | 0.223 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -81.6 | -17.2 | 178.8 | 77.3 | -79.9 | -168.4 | 0 | 0 | 114.3 | H81 Q85 R151 H175 | H81-E177 IonicContact CD2-OE1 3.48Å; H81-E177 IonicContact CE1-OE2 3.26Å; H81-E177 VanDerWaalsContact NE2-CD 3.34Å; H81-E177 IonicContact NE2-OE1 2.63Å; H81-E177 PolarHBondContact NE2-OE1 3.16Å; H81-E177 VanDerWaalsContact NE2-OE1 3.09Å; H81-E177 IonicContact NE2-OE2 2.65Å; H81-E177 PolarHBondContact NE2-OE2 3.3Å; Q85-E177 WeakPolarHBondContact CG-OE1 3.28Å; Q85-E177 PolarHBondContact NE2-OE1 3.35Å; R151-E177 PolarHBondContact NH1-O 2.8Å; R151-E177 PolarHBondContact NH2-O 2.87Å; H175-E177 PolarHBondContact O-N 2.87Å; H175-E177 VanDerWaalsContact O-N 3.16Å |
| 178 | Y | 96.5 | Very high | 93.3 | Very high | 5 Ų | 5 | 40.5 Ų | 40.5 | 2% | 0.02 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.8 | 140 | 179.7 | 179.4 | -110.5 | 0 | 0 | 0 | 110.6 | H77 H81 K84 F174 H175 D180 | H77-Y178 WeakPolarHBondContact O-CE1 3.38Å; H81-Y178 HydrophobicContact CB-CD1 3.61Å; H81-Y178 HydrophobicContact CB-CE1 4.29Å; H81-Y178 HydrophobicContact CB-CG 3.78Å; H81-Y178 VanDerWaalsContact CD2-CB 3.48Å; H81-Y178 WeakPolarHBondContact CD2-CB 3.45Å; K84-Y178 HydrophobicContact CB-CD2 4.19Å; K84-Y178 HydrophobicContact CB-CE2 4.48Å; K84-Y178 HydrophobicContact CG-CD2 3.78Å; K84-Y178 HydrophobicContact CG-CE2 3.61Å; F174-Y178 WeakPolarHBondContact CA-O 3.41Å; H175-Y178 HydrophobicContact CB-CD1 4.2Å; H175-Y178 PolarHBondContact N-O 2.83Å; H175-Y178 PolarHBondContact O-N 2.8Å; Y178-D180 HydrophobicContact CE1-CB 3.87Å; Y178-D180 PolarHBondContact OH-OD2 3.06Å; Y178-D180 VanDerWaalsContact OH-OD2 3.07Å |
| 179 | V | 95.8 | Very high | 93.8 | Very high | 4 Ų | 4 | 36.9 Ų | 36.9 | 2% | 0.024 | 18% | 0.177 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131 | 138.8 | 173.5 | 73.8 | 0 | 0 | 0 | 0 | 108.7 | T147 F148 R151 L172 Y173 F174 | T147-V179 HydrophobicContact CG2-CG1 3.98Å; F148-V179 HydrophobicContact CE1-CG1 4.43Å; R151-V179 VanDerWaalsContact CZ-CG1 3.49Å; R151-V179 VanDerWaalsContact NH1-CG1 3.27Å; L172-V179 HydrophobicContact CB-CG2 3.91Å; L172-V179 HydrophobicContact CD1-CG2 4.44Å; Y173-V179 WeakPolarHBondContact O-CA 3.37Å; F174-V179 HydrophobicContact CD1-CB 4.03Å; F174-V179 HydrophobicContact CD1-CG2 3.85Å; F174-V179 HydrophobicContact CD2-CG2 4.17Å; F174-V179 HydrophobicContact CE1-CB 4.03Å; F174-V179 HydrophobicContact CE1-CG2 3.68Å; F174-V179 HydrophobicContact CE2-CG2 4Å; F174-V179 HydrophobicContact CG-CG2 4.09Å; F174-V179 HydrophobicContact CZ-CG2 3.76Å |
| 180 | D | 94.7 | Very high | 94.1 | Very high | 1 Ų | 1 | 30 Ų | 30 | 1% | 0.005 | 15% | 0.146 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.1 | 161.6 | 171.4 | -153.1 | -12.8 | 0 | 0 | 0 | 109.7 | H77 Y104 K156 Y173 Y178 | H77-D180 IonicContact CD2-OD2 3.29Å; H77-D180 IonicContact NE2-OD2 2.89Å; Y104-D180 PolarHBondContact OH-OD2 2.63Å; K156-D180 WeakPolarHBondContact CE-OD1 3.47Å; K156-D180 IonicContact NZ-OD1 3.39Å; K156-D180 PolarHBondContact NZ-OD1 3.25Å; K156-D180 IonicContact NZ-OD2 3.09Å; Y173-D180 PolarHBondContact N-O 2.77Å; Y173-D180 PolarHBondContact O-N 2.81Å; Y173-D180 VanDerWaalsContact O-N 3.12Å; Y178-D180 HydrophobicContact CE1-CB 3.87Å; Y178-D180 PolarHBondContact OH-OD2 3.06Å; Y178-D180 VanDerWaalsContact OH-OD2 3.07Å |
| 181 | M | 92.3 | Very high | 94.3 | Very high | 18 Ų | 18 | 33.5 Ų | 33.5 | 9% | 0.089 | 16% | 0.158 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.3 | 136 | 175.4 | 63.5 | -179.9 | -156.8 | 0 | 0 | 110.4 | F148 K156 I159 L160 L172 | F148-M181 HydrophobicContact CD2-SD 3.94Å; F148-M181 HydrophobicContact CE2-CB 3.61Å; F148-M181 HydrophobicContact CE2-CG 3.63Å; F148-M181 HydrophobicContact CE2-SD 3.46Å; F148-M181 WeakPolarHBondContact CE2-SD 3.32Å; F148-M181 HydrophobicContact CZ-CB 3.59Å; F148-M181 HydrophobicContact CZ-CG 3.68Å; F148-M181 HydrophobicContact CZ-SD 4.11Å; K156-M181 HydrophobicContact CB-CE 4.04Å; K156-M181 HydrophobicContact CB-SD 4.33Å; K156-M181 HydrophobicContact CD-CE 3.93Å; K156-M181 HydrophobicContact CD-CG 4.09Å; K156-M181 HydrophobicContact CD-SD 4.49Å; K156-M181 VanDerWaalsContact O-CE 3.3Å; K156-M181 WeakPolarHBondContact O-CE 3.44Å; I159-M181 HydrophobicContact CB-CE 3.58Å; I159-M181 HydrophobicContact CD1-CE 4.25Å; I159-M181 HydrophobicContact CG2-CE 3.45Å; I159-M181 VanDerWaalsContact CG2-CE 3.45Å; L160-M181 HydrophobicContact CD1-SD 3.75Å; L160-M181 HydrophobicContact CD2-SD 4.12Å; L160-M181 HydrophobicContact CG-CE 4.03Å; L160-M181 HydrophobicContact CG-SD 3.66Å; L172-M181 HydrophobicContact CD2-CB 3.95Å |
| 182 | C | 88.7 | Confident | 94.4 | Very high | 38 Ų | 38 | 34.3 Ų | 34.3 | 26% | 0.257 | 16% | 0.159 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -155.4 | 167.2 | 173.3 | -160.9 | 0 | 0 | 0 | 0 | 110.9 | H73 G171 Y173 G184 | H73-C182 PolarHBondContact CE1-SG 3.12Å; H73-C182 PolarHBondContact NE2-SG 3.35Å; G171-C182 PolarHBondContact O-N 2.91Å; Y173-C182 HydrophobicContact CD2-CB 4.24Å; Y173-C182 HydrophobicContact CE2-CB 4.06Å; Y173-C182 WeakPolarHBondContact CE2-O 3.5Å; C182-G184 VanDerWaalsContact C-N 3.27Å |
| 183 | R | 87.3 | Confident | 94.4 | Very high | 225 Ų | 225 | 34.3 Ų | 34.3 | 85% | 0.849 | 16% | 0.159 | S | C | * | . | S | Bend | trans | -71.4 | -27.4 | 166.8 | -65.9 | -178 | 178.7 | -179.9 | -1.4 | 111.5 | ||
| 184 | G | 84.3 | Confident | 94.4 | Very high | 21 Ų | 21 | 36.8 Ų | 36.8 | 22% | 0.216 | 17% | 0.171 | C | C | . | . | trans | 78.3 | -165.2 | -176.2 | 0 | 0 | 0 | 0 | 0 | 112.9 | Y173 C182 | Y173-G184 WeakPolarHBondContact OH-CA 3.27Å; C182-G184 VanDerWaalsContact C-N 3.27Å | ||
| 185 | P | 94.7 | Very high | 94.4 | Very high | 12 Ų | 12 | 36.6 Ų | 36.6 | 8% | 0.078 | 17% | 0.171 | C | C | . | . | cis | -78 | 167.6 | -4.2 | 28.3 | -29.7 | 0 | 0 | 0 | 113.4 | A37 L44 D46 I70 | A37-P185 HydrophobicContact CB-CB 4.36Å; A37-P185 HydrophobicContact CB-CG 4.26Å; L44-P185 HydrophobicContact CB-CG 4.12Å; D46-P185 HydrophobicContact CB-CB 4.35Å; D46-P185 WeakPolarHBondContact OD1-CA 3.18Å; I70-P185 HydrophobicContact CD1-CG 3.66Å; I70-P185 HydrophobicContact CG1-CG 3.89Å | ||
| 186 | H | 96.4 | Very high | 94.4 | Very high | 2 Ų | 2 | 36.8 Ų | 36.8 | 1% | 0.009 | 17% | 0.171 | C | C | . | . | trans | -122.2 | 163.3 | 174.4 | -77.2 | -82.5 | 0 | 0 | 0 | 111.8 | D46 H73 S74 H77 V134 Y173 | D46-H186 PolarHBondContact OD1-N 3.3Å; H73-H186 AromaticContact CD2-CE1 3.75Å; H73-H186 AromaticContact CE1-NE2 3.91Å; H73-H186 AromaticContact CG-CE1 3.73Å; H73-H186 AromaticContact ND1-CE1 3.95Å; S74-H186 WeakPolarHBondContact OG-CA 3.28Å; S74-H186 PolarHBondContact OG-ND1 2.92Å; H77-H186 AromaticContact CD2-CE1 3.68Å; H77-H186 AromaticContact CE1-CE1 3.14Å; H77-H186 PolarHBondContact CE1-CE1 3.07Å; H77-H186 AromaticContact CE1-NE2 3.06Å; H77-H186 PolarHBondContact CE1-NE2 3.07Å; H77-H186 AromaticContact CG-CE1 3.6Å; H77-H186 AromaticContact ND1-CE1 3.27Å; H77-H186 PolarHBondContact ND1-CE1 3.04Å; H77-H186 VanDerWaalsContact ND1-CE1 3.27Å; H77-H186 AromaticContact ND1-ND1 3.82Å; H77-H186 AromaticContact ND1-NE2 3.59Å; H77-H186 AromaticContact NE2-CE1 3.4Å; H77-H186 PolarHBondContact NE2-CE1 3.5Å; H77-H186 AromaticContact NE2-NE2 3.52Å; V134-H186 HydrophobicContact CG1-CB 4.42Å; Y173-H186 HydrophobicContact CD1-CB 3.86Å; Y173-H186 AromaticContact CD1-CD2 3.44Å; Y173-H186 VanDerWaalsContact CD1-CD2 3.44Å; Y173-H186 WeakPolarHBondContact CD1-CD2 3.41Å; Y173-H186 AromaticContact CD1-CG 3.83Å; Y173-H186 AromaticContact CD2-CD2 3.73Å; Y173-H186 HydrophobicContact CE1-CB 3.93Å; Y173-H186 AromaticContact CE1-CD2 3.41Å; Y173-H186 VanDerWaalsContact CE1-CD2 3.41Å; Y173-H186 WeakPolarHBondContact CE1-CD2 3.4Å; Y173-H186 AromaticContact CE2-CD2 3.71Å; Y173-H186 AromaticContact CG-CD2 3.6Å; Y173-H186 AromaticContact CZ-CD2 3.56Å | ||
| 187 | V | 96.8 | Very high | 94.5 | Very high | 1 Ų | 1 | 36.1 Ų | 36.1 | 1% | 0.006 | 17% | 0.167 | C | C | . | . | trans | -64.8 | 141.5 | 173.7 | -58.8 | 0 | 0 | 0 | 0 | 109.7 | I36 I70 I71 S74 V134 N189 M190 F192 | I36-V187 HydrophobicContact CG2-CG1 4.12Å; I70-V187 HydrophobicContact CG2-CG1 4.09Å; I71-V187 HydrophobicContact CG1-CG1 4Å; S74-V187 PolarHBondContact OG-N 2.9Å; V134-V187 VanDerWaalsContact CB-O 3.27Å; V134-V187 WeakPolarHBondContact CB-O 3.39Å; V134-V187 HydrophobicContact CG2-CG2 4.33Å; V134-V187 VanDerWaalsContact CG2-O 3.3Å; V134-V187 WeakPolarHBondContact CG2-O 3.11Å; V187-N189 WeakPolarHBondContact CG2-O 3.37Å; V187-N189 PolarHBondContact O-N 2.92Å; V187-M190 HydrophobicContact CG2-SD 4.28Å; V187-F192 HydrophobicContact CB-CB 4.3Å; V187-F192 HydrophobicContact CB-CD2 4.13Å; V187-F192 HydrophobicContact CG1-CB 3.98Å | ||
| 188 | P | 96.5 | Very high | 94.6 | Very high | 27 Ų | 27 | 31.7 Ų | 31.7 | 18% | 0.175 | 15% | 0.147 | C | C | . | . | S | Bend | trans | -72 | -20.2 | -179.2 | 27.9 | -34.5 | 0 | 0 | 0 | 112.1 | M21 I36 A47 D133 V134 F192 | M21-P188 HydrophobicContact CE-CB 4.14Å; M21-P188 HydrophobicContact CE-CG 3.89Å; I36-P188 VanDerWaalsContact O-CD 3.32Å; I36-P188 WeakPolarHBondContact O-CD 3.5Å; A47-P188 HydrophobicContact CB-CB 4.31Å; A47-P188 HydrophobicContact CB-CG 4.36Å; D133-P188 WeakPolarHBondContact CA-O 3.22Å; V134-P188 PolarHBondContact N-O 2.86Å; P188-F192 HydrophobicContact CG-CE2 3.96Å |
| 189 | N | 97.2 | Very high | 94.4 | Very high | 10 Ų | 10 | 34.5 Ų | 34.5 | 5% | 0.053 | 16% | 0.161 | C | C | . | . | B | Isolated β-bridge | trans | -152.4 | 144.4 | -178.1 | -177.9 | -77.4 | 0 | 0 | 0 | 111.2 | N131 Y132 D133 V187 R191 F192 | N131-N189 PolarHBondContact O-ND2 2.82Å; N131-N189 PolarHBondContact O-OD1 3.32Å; Y132-N189 WeakPolarHBondContact O-CA 3.44Å; Y132-N189 PolarHBondContact O-ND2 2.88Å; D133-N189 PolarHBondContact OD1-ND2 2.73Å; V187-N189 WeakPolarHBondContact CG2-O 3.37Å; V187-N189 PolarHBondContact O-N 2.92Å; N189-R191 HydrophobicContact CB-CG 4.2Å; N189-R191 PolarHBondContact O-N 2.78Å; N189-R191 WeakPolarHBondContact OD1-CB 3.46Å; N189-R191 VanDerWaalsContact OD1-CG 3.25Å; N189-R191 WeakPolarHBondContact OD1-CG 3.39Å; N189-R191 PolarHBondContact OD1-N 2.98Å; N189-R191 PolarHBondContact OD1-NE 2.65Å; N189-F192 VanDerWaalsContact O-CD2 3.3Å; N189-F192 WeakPolarHBondContact O-CD2 3.38Å; N189-F192 PolarHBondContact O-N 2.66Å |
| 190 | M | 96.7 | Very high | 94.1 | Very high | 0 Ų | 0 | 40.8 Ų | 40.8 | 0% | 0 | 19% | 0.188 | C | C | . | . | G | 310 helix | trans | -66.6 | -6.9 | -177 | -64.9 | -49.1 | -61.8 | 0 | 0 | 115.2 | L78 Y132 V134 V187 F192 C193 | L78-M190 HydrophobicContact CB-CE 3.78Å; L78-M190 HydrophobicContact CD1-CE 3.92Å; L78-M190 HydrophobicContact CD2-CE 3.71Å; L78-M190 HydrophobicContact CG-CE 3.99Å; Y132-M190 HydrophobicContact CD1-CB 4.5Å; Y132-M190 HydrophobicContact CD1-CG 3.96Å; Y132-M190 HydrophobicContact CD2-CG 3.7Å; Y132-M190 HydrophobicContact CE1-CB 4.4Å; Y132-M190 HydrophobicContact CE1-CG 3.62Å; Y132-M190 HydrophobicContact CE2-CG 3.32Å; Y132-M190 HydrophobicContact CE2-SD 4.04Å; Y132-M190 HydrophobicContact CG-CG 4Å; Y132-M190 PolarHBondContact O-N 2.79Å; V134-M190 HydrophobicContact CG2-CG 4.39Å; V134-M190 HydrophobicContact CG2-SD 3.72Å; V187-M190 HydrophobicContact CG2-SD 4.28Å; M190-F192 PolarHBondContact O-N 3.26Å; M190-F192 VanDerWaalsContact O-N 3.08Å; M190-C193 HydrophobicContact CE-CB 3.57Å; M190-C193 PolarHBondContact O-N 3.31Å |
| 191 | R | 94.8 | Very high | 93.9 | Very high | 87 Ų | 87 | 43.6 Ų | 43.6 | 33% | 0.328 | 21% | 0.205 | S | C | . | . | G | 310 helix | trans | -56.9 | -20.4 | 172.2 | 73.4 | -179.2 | 111 | 114 | -0.9 | 114.4 | K33 N131 N189 H194 | K33-R191 PolarHBondContact O-NH1 2.86Å; K33-R191 VanDerWaalsContact O-NH1 3.08Å; N131-R191 HydrophobicContact CB-CB 4.33Å; N131-R191 VanDerWaalsContact OD1-CA 3.24Å; N131-R191 WeakPolarHBondContact OD1-CA 3.43Å; N131-R191 WeakPolarHBondContact OD1-CB 3.39Å; N189-R191 HydrophobicContact CB-CG 4.2Å; N189-R191 PolarHBondContact O-N 2.78Å; N189-R191 WeakPolarHBondContact OD1-CB 3.46Å; N189-R191 VanDerWaalsContact OD1-CG 3.25Å; N189-R191 WeakPolarHBondContact OD1-CG 3.39Å; N189-R191 PolarHBondContact OD1-N 2.98Å; N189-R191 PolarHBondContact OD1-NE 2.65Å; R191-H194 PolarHBondContact O-CD2 3.01Å |
| 192 | F | 95.9 | Very high | 93.8 | Very high | 26 Ų | 26 | 44.6 Ų | 44.6 | 11% | 0.114 | 22% | 0.216 | C | C | . | . | G | 310 helix | trans | -83.5 | -14 | 176.4 | -62.7 | -74.6 | 0 | 0 | 0 | 112.7 | K33 C35 I36 I71 V187 P188 N189 M190 | K33-F192 VanDerWaalsContact O-CZ 3.23Å; K33-F192 WeakPolarHBondContact O-CZ 3.48Å; C35-F192 WeakPolarHBondContact O-CZ 3.4Å; I36-F192 HydrophobicContact CD1-CD1 4Å; I36-F192 HydrophobicContact CD1-CE1 4.35Å; I36-F192 HydrophobicContact CD1-CG 4.3Å; I36-F192 HydrophobicContact CG1-CD1 3.92Å; I36-F192 HydrophobicContact CG1-CD2 4.31Å; I36-F192 HydrophobicContact CG1-CE1 3.88Å; I36-F192 HydrophobicContact CG1-CE2 4.29Å; I36-F192 HydrophobicContact CG1-CG 4.13Å; I36-F192 HydrophobicContact CG1-CZ 4.06Å; I71-F192 HydrophobicContact CG1-CB 4.25Å; V187-F192 HydrophobicContact CB-CB 4.3Å; V187-F192 HydrophobicContact CB-CD2 4.13Å; V187-F192 HydrophobicContact CG1-CB 3.98Å; P188-F192 HydrophobicContact CG-CE2 3.96Å; N189-F192 VanDerWaalsContact O-CD2 3.3Å; N189-F192 WeakPolarHBondContact O-CD2 3.38Å; N189-F192 PolarHBondContact O-N 2.66Å; M190-F192 PolarHBondContact O-N 3.26Å; M190-F192 VanDerWaalsContact O-N 3.08Å |
| 193 | C | 95.9 | Very high | 93.7 | Very high | 0 Ų | 0 | 45.3 Ų | 45.3 | 0% | 0 | 23% | 0.23 | C | C | . | . | trans | -106.8 | 39.5 | -170.8 | -64.6 | 0 | 0 | 0 | 0 | 113 | L78 A128 M190 F196 | L78-C193 HydrophobicContact CD2-CB 4.49Å; A128-C193 WeakPolarHBondContact CB-O 3.08Å; M190-C193 HydrophobicContact CE-CB 3.57Å; M190-C193 PolarHBondContact O-N 3.31Å; C193-F196 WeakPolarHBondContact O-CD1 3.49Å; C193-F196 WeakPolarHBondContact O-CE1 3.25Å | ||
| 194 | H | 95.4 | Very high | 93.7 | Very high | 54 Ų | 54 | 35.2 Ų | 35.2 | 25% | 0.25 | 20% | 0.195 | C | C | . | . | trans | -88.1 | -15.3 | -179.9 | -77.1 | -58.7 | 0 | 0 | 0 | 114.7 | A128 N131 R191 | A128-H194 PolarHBondContact O-CE1 2.87Å; N131-H194 PolarHBondContact OD1-CE1 3.26Å; N131-H194 PolarHBondContact OD1-NE2 3.22Å; R191-H194 PolarHBondContact O-CD2 3.01Å | ||
| 195 | H | 96.7 | Very high | 93.8 | Very high | 56 Ų | 56 | 39.1 Ų | 39.1 | 26% | 0.259 | 20% | 0.204 | S | C | . | . | S | Bend | trans | -120.5 | 64.7 | -166 | -56.2 | -41.7 | 0 | 0 | 0 | 111.5 | A222 W223 D225 K226 L229 | H195-A222 WeakPolarHBondContact O-CA 3.34Å; H195-W223 WeakPolarHBondContact CB-O 3.44Å; H195-W223 PolarHBondContact O-N 3.03Å; H195-D225 VanDerWaalsContact CD2-C 3.48Å; H195-D225 WeakPolarHBondContact CD2-CA 3.45Å; H195-K226 PolarHBondContact CD2-N 3.1Å; H195-L229 HydrophobicContact CB-CD2 4.37Å |
| 196 | F | 97.5 | Very high | 93.4 | Very high | 3 Ų | 3 | 39.9 Ų | 39.9 | 1% | 0.013 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119 | 168.3 | 175.5 | 63 | -93 | 0 | 0 | 0 | 112.1 | L78 E121 M124 H125 A128 C193 T221 A222 | L78-F196 HydrophobicContact CD2-CD1 4.41Å; L78-F196 HydrophobicContact CD2-CE1 3.85Å; L78-F196 HydrophobicContact CD2-CZ 4.26Å; E121-F196 HydrophobicContact CG-CE2 4.24Å; M124-F196 HydrophobicContact CB-CE1 4.46Å; M124-F196 HydrophobicContact CB-CE2 3.54Å; M124-F196 HydrophobicContact CB-CZ 3.43Å; M124-F196 VanDerWaalsContact CB-CZ 3.43Å; M124-F196 HydrophobicContact CE-CD2 3.86Å; M124-F196 HydrophobicContact CE-CE2 3.79Å; M124-F196 HydrophobicContact CE-CG 4.41Å; M124-F196 HydrophobicContact CE-CZ 4.28Å; M124-F196 HydrophobicContact CG-CE2 4.45Å; M124-F196 HydrophobicContact SD-CE2 4.11Å; H125-F196 HydrophobicContact CB-CZ 4.34Å; H125-F196 AromaticContact CD2-CZ 4Å; H125-F196 AromaticContact CE1-CE1 3.9Å; H125-F196 AromaticContact CE1-CE2 3.79Å; H125-F196 AromaticContact CE1-CZ 3.54Å; H125-F196 AromaticContact CG-CZ 3.66Å; H125-F196 AromaticContact ND1-CE1 3.72Å; H125-F196 AromaticContact ND1-CZ 3.37Å; H125-F196 WeakPolarHBondContact ND1-CZ 3.5Å; H125-F196 AromaticContact NE2-CE2 3.84Å; H125-F196 AromaticContact NE2-CZ 3.96Å; A128-F196 HydrophobicContact CB-CE1 4.18Å; C193-F196 WeakPolarHBondContact O-CD1 3.49Å; C193-F196 WeakPolarHBondContact O-CE1 3.25Å; F196-T221 CarbonylContact C-O 3.44Å; F196-T221 WeakPolarHBondContact CA-O 3.24Å; F196-T221 WeakPolarHBondContact CB-O 3.49Å; F196-A222 HydrophobicContact CB-CB 3.98Å |
| 197 | K | 96.9 | Very high | 92.8 | Very high | 68 Ų | 68 | 45.3 Ų | 45.3 | 30% | 0.296 | 23% | 0.225 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -148 | 134.1 | 173 | -176 | 71.1 | -169.6 | 144 | 0 | 109.6 | E121 M199 G220 T221 L229 L233 | E121-K197 IonicContact OE1-NZ 2.81Å; E121-K197 PolarHBondContact OE1-NZ 3.41Å; E121-K197 VanDerWaalsContact OE2-CD 3.27Å; E121-K197 WeakPolarHBondContact OE2-CD 3.13Å; E121-K197 WeakPolarHBondContact OE2-CE 3.22Å; E121-K197 IonicContact OE2-NZ 3.61Å; E121-K197 PolarHBondContact OE2-NZ 3.18Å; K197-M199 HydrophobicContact CB-SD 4.41Å; K197-M199 HydrophobicContact CG-SD 4.08Å; K197-G220 WeakPolarHBondContact O-CA 3.47Å; K197-T221 HydrophobicContact CB-CG2 3.96Å; K197-T221 PolarHBondContact N-O 2.84Å; K197-T221 PolarHBondContact O-N 2.83Å; K197-L229 HydrophobicContact CB-CD1 4.07Å; K197-L233 HydrophobicContact CB-CD1 4.49Å; K197-L233 HydrophobicContact CB-CD2 4.28Å; K197-L233 HydrophobicContact CG-CD1 4.35Å; K197-L233 HydrophobicContact CG-CD2 3.97Å |
| 198 | L | 96.7 | Very high | 91.9 | Very high | 7 Ų | 7 | 48.5 Ų | 48.5 | 4% | 0.037 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.7 | 140.6 | 169.3 | -64.2 | -172.1 | 0 | 0 | 0 | 110.1 | L79 V117 L120 E121 M124 | L79-L198 HydrophobicContact CD1-CD1 4.2Å; L79-L198 HydrophobicContact CD1-CD2 4.16Å; L79-L198 HydrophobicContact CD2-CD2 4.43Å; V117-L198 HydrophobicContact CG1-CB 3.81Å; V117-L198 HydrophobicContact CG1-CD1 4.15Å; L120-L198 HydrophobicContact CB-CD1 4.13Å; L120-L198 HydrophobicContact CD2-CD1 3.97Å; L120-L198 HydrophobicContact CG-CD1 3.87Å; E121-L198 HydrophobicContact CB-CB 4.35Å; E121-L198 HydrophobicContact CB-CD1 3.91Å; E121-L198 HydrophobicContact CB-CG 4.02Å; E121-L198 HydrophobicContact CG-CG 4.4Å; E121-L198 PolarHBondContact OE2-N 3.09Å; M124-L198 HydrophobicContact CE-CD2 4.32Å; M124-L198 HydrophobicContact SD-CD1 3.91Å; M124-L198 HydrophobicContact SD-CD2 3.78Å; M124-L198 HydrophobicContact SD-CG 4.01Å |
| 199 | M | 91.3 | Very high | 91.1 | Very high | 65 Ų | 65 | 50.3 Ų | 50.3 | 32% | 0.32 | 27% | 0.266 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.4 | -98.5 | -167.2 | -58.6 | -57.3 | -60.8 | 0 | 0 | 111.6 | K197 Y219 T221 L233 L236 | K197-M199 HydrophobicContact CB-SD 4.41Å; K197-M199 HydrophobicContact CG-SD 4.08Å; M199-Y219 PolarHBondContact N-O 3.05Å; M199-T221 HydrophobicContact CG-CG2 4.38Å; M199-T221 HydrophobicContact SD-CG2 3.95Å; M199-L233 HydrophobicContact SD-CD2 4.27Å; M199-L236 HydrophobicContact CE-CD1 3.31Å |
| 200 | K | 88.9 | Confident | 90.4 | Very high | 136 Ų | 136 | 53.8 Ų | 53.8 | 59% | 0.591 | 29% | 0.291 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -122.1 | 159.2 | -177.6 | 62.7 | 176.9 | 179.6 | 176.8 | 0 | 110.2 | Y219 | K200-Y219 HydrophobicContact CG-CD2 3.86Å; K200-Y219 HydrophobicContact CG-CG 4.32Å; K200-Y219 PolarHBondContact O-N 2.72Å |
| 201 | T | 91.5 | Very high | 89.7 | Confident | 59 Ų | 59 | 60.4 Ų | 60.4 | 36% | 0.362 | 33% | 0.327 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.7 | 149 | 166.2 | 53.3 | 0 | 0 | 0 | 0 | 110 | L112 V117 R217 I218 | L112-T201 HydrophobicContact CB-CG2 4.32Å; L112-T201 HydrophobicContact CD1-CG2 4.43Å; V117-T201 HydrophobicContact CG2-CG2 3.8Å; T201-R217 CarbonylContact C-O 3.57Å; T201-R217 VanDerWaalsContact CA-O 3.25Å; T201-R217 WeakPolarHBondContact CA-O 3.33Å; T201-I218 HydrophobicContact CG2-CG1 4.31Å |
| 202 | A | 88.7 | Confident | 89.4 | Confident | 39 Ų | 39 | 59.2 Ų | 59.2 | 32% | 0.322 | 33% | 0.327 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.7 | 163.3 | 174.6 | 0 | 0 | 0 | 0 | 0 | 110.3 | R217 Y219 | A202-R217 HydrophobicContact CB-CB 4.41Å; A202-R217 PolarHBondContact N-O 2.66Å; A202-R217 PolarHBondContact O-N 3.18Å; A202-Y219 HydrophobicContact CB-CE2 3.98Å |
| 203 | G | 87.4 | Confident | 89 | Confident | 54 Ų | 54 | 63 Ų | 63 | 56% | 0.557 | 34% | 0.344 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -84.8 | 143.4 | 166.1 | 0 | 0 | 0 | 0 | 0 | 110.5 | L215 | G203-L215 WeakPolarHBondContact CA-O 3.26Å |
| 204 | A | 87.3 | Confident | 88.7 | Confident | 12 Ų | 12 | 68.7 Ų | 68.7 | 10% | 0.099 | 37% | 0.371 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.3 | 159.4 | 169.6 | 0 | 0 | 0 | 0 | 0 | 109.1 | M214 L215 R217 | A204-M214 CarbonylContact O-C 3.53Å; A204-M214 WeakPolarHBondContact O-CA 3.32Å; A204-L215 PolarHBondContact N-O 3.11Å; A204-L215 PolarHBondContact O-N 3.2Å; A204-R217 HydrophobicContact CB-CB 4.29Å |
| 205 | Y | 86.3 | Confident | 88.6 | Confident | 103 Ų | 103 | 66.1 Ų | 66.1 | 40% | 0.404 | 36% | 0.36 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.9 | 143.7 | 173.7 | -66.1 | -84.7 | 0 | 0 | 0 | 109.8 | R207 G208 D209 N212 M214 | Y205-R207 PolarHBondContact O-N 3.28Å; Y205-G208 PolarHBondContact O-N 3.39Å; Y205-D209 VanDerWaalsContact CB-O 3.28Å; Y205-D209 WeakPolarHBondContact CB-O 3.32Å; Y205-N212 WeakPolarHBondContact CD1-O 3.34Å; Y205-M214 HydrophobicContact CD1-CB 4.31Å; Y205-M214 HydrophobicContact CE1-CB 4.02Å; Y205-M214 HydrophobicContact CE1-CG 4.42Å |
| 206 | W | 87.5 | Confident | 88.4 | Confident | 28 Ų | 28 | 64.7 Ų | 64.7 | 11% | 0.106 | 35% | 0.353 | C | S | . | . | G | 310 helix | trans | -56.8 | 128.4 | 174 | -179.6 | -117.8 | 0 | 0 | 0 | 110.3 | A93 I94 Y155 I159 G208 D209 N212 L215 | A93-W206 HydrophobicContact CB-CE3 4.26Å; A93-W206 HydrophobicContact CB-CZ3 3.88Å; I94-W206 HydrophobicContact CD1-CE3 4.37Å; I94-W206 HydrophobicContact CD1-CH2 3.8Å; I94-W206 HydrophobicContact CD1-CZ3 3.45Å; I94-W206 VanDerWaalsContact CD1-CZ3 3.45Å; I94-W206 HydrophobicContact CG1-CH2 4.12Å; I94-W206 HydrophobicContact CG1-CZ3 3.75Å; Y155-W206 AromaticContact CD1-CD2 3.81Å; Y155-W206 HydrophobicContact CD1-CD2 3.81Å; Y155-W206 AromaticContact CD1-CE3 3.77Å; Y155-W206 HydrophobicContact CD1-CE3 3.77Å; Y155-W206 HydrophobicContact CD1-CG 4.42Å; Y155-W206 HydrophobicContact CD1-CH2 4.19Å; Y155-W206 HydrophobicContact CD1-CZ2 4.21Å; Y155-W206 AromaticContact CD1-CZ3 3.97Å; Y155-W206 HydrophobicContact CD1-CZ3 3.97Å; Y155-W206 HydrophobicContact CE1-CB 4.5Å; Y155-W206 HydrophobicContact CE1-CD2 4.02Å; Y155-W206 HydrophobicContact CE1-CE3 4.16Å; Y155-W206 HydrophobicContact CE1-CG 4.17Å; I159-W206 HydrophobicContact CD1-CH2 3.97Å; I159-W206 HydrophobicContact CG1-CH2 3.83Å; I159-W206 HydrophobicContact CG1-CZ2 4.33Å; W206-G208 PolarHBondContact O-N 2.87Å; W206-D209 PolarHBondContact O-N 3.43Å; W206-N212 HydrophobicContact CB-CB 3.85Å; W206-N212 PolarHBondContact O-ND2 3.29Å; W206-L215 HydrophobicContact CB-CD1 4.32Å; W206-L215 HydrophobicContact CE3-CD1 4.04Å |
| 207 | R | 83.3 | Confident | 88.3 | Confident | 117 Ų | 117 | 66.8 Ų | 66.8 | 44% | 0.442 | 36% | 0.361 | S | S | . | . | G | 310 helix | trans | 56.1 | 15.1 | -173.3 | -56 | -69.9 | -168.7 | -178 | 0.6 | 115.4 | E162 N163 Y205 D209 | E162-R207 IonicContact OE2-CZ 2.77Å; E162-R207 IonicContact OE2-NE 2.95Å; E162-R207 IonicContact OE2-NH2 3.83Å; E162-R207 PolarHBondContact OE2-NH2 3.25Å; N163-R207 PolarHBondContact OD1-NH1 3.26Å; N163-R207 VanDerWaalsContact OD1-NH1 3.14Å; N163-R207 PolarHBondContact OD1-NH2 2.73Å; Y205-R207 PolarHBondContact O-N 3.28Å; R207-D209 PolarHBondContact O-N 3.46Å |
| 208 | G | 77.1 | Confident | 88.2 | Confident | 67 Ų | 67 | 63.7 Ų | 63.7 | 69% | 0.691 | 35% | 0.347 | S | S | * | . | G | 310 helix | trans | 73 | 5 | -176.2 | 0 | 0 | 0 | 0 | 0 | 114.7 | Y205 W206 | Y205-G208 PolarHBondContact O-N 3.39Å; W206-G208 PolarHBondContact O-N 2.87Å |
| 209 | D | 79.9 | Confident | 88.2 | Confident | 65 Ų | 65 | 65.8 Ų | 65.8 | 35% | 0.348 | 36% | 0.355 | S | S | . | . | trans | -88.6 | 117 | 178.8 | 179.8 | -1.9 | 0 | 0 | 0 | 110.4 | Y205 W206 R207 N211 N212 | Y205-D209 VanDerWaalsContact CB-O 3.28Å; Y205-D209 WeakPolarHBondContact CB-O 3.32Å; W206-D209 PolarHBondContact O-N 3.43Å; R207-D209 PolarHBondContact O-N 3.46Å; D209-N211 PolarHBondContact O-N 3.27Å; D209-N211 VanDerWaalsContact O-N 3.08Å; D209-N211 WeakPolarHBondContact OD1-CB 3.49Å; D209-N211 PolarHBondContact OD1-N 3.31Å; D209-N211 PolarHBondContact OD1-ND2 3.03Å; D209-N212 WeakPolarHBondContact O-CB 3.5Å; D209-N212 PolarHBondContact O-N 3.05Å | ||
| 210 | S | 81.8 | Confident | 88.4 | Confident | 83 Ų | 83 | 62.9 Ų | 62.9 | 58% | 0.58 | 34% | 0.342 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.5 | -15.1 | -179.9 | 52.2 | 0 | 0 | 0 | 0 | 114.6 | N212 | S210-N212 VanDerWaalsContact C-N 3.3Š|
| 211 | N | 83.7 | Confident | 88.8 | Confident | 140 Ų | 140 | 56.4 Ų | 56.4 | 75% | 0.749 | 31% | 0.314 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76.8 | -17.7 | 174.2 | -61.2 | -53.7 | 0 | 0 | 0 | 112.9 | D209 | D209-N211 PolarHBondContact O-N 3.27Å; D209-N211 VanDerWaalsContact O-N 3.08Å; D209-N211 WeakPolarHBondContact OD1-CB 3.49Å; D209-N211 PolarHBondContact OD1-N 3.31Å; D209-N211 PolarHBondContact OD1-ND2 3.03Å |
| 212 | N | 88.2 | Confident | 89 | Confident | 62 Ų | 62 | 53.6 Ų | 53.6 | 33% | 0.332 | 30% | 0.297 | S | S | . | . | S | Bend | trans | -83.1 | 169 | 179.5 | -71.9 | -33.6 | 0 | 0 | 0 | 112.7 | Y205 W206 D209 S210 M214 | Y205-N212 WeakPolarHBondContact CD1-O 3.34Å; W206-N212 HydrophobicContact CB-CB 3.85Å; W206-N212 PolarHBondContact O-ND2 3.29Å; D209-N212 WeakPolarHBondContact O-CB 3.5Å; D209-N212 PolarHBondContact O-N 3.05Å; S210-N212 VanDerWaalsContact C-N 3.3Å; N212-M214 PolarHBondContact O-N 2.73Å |
| 213 | K | 86.7 | Confident | 89.4 | Confident | 106 Ų | 106 | 53.1 Ų | 53.1 | 46% | 0.461 | 29% | 0.287 | S | S | . | . | P | Polyproline II helix | trans | -58.7 | 133.1 | 175.6 | -168.2 | 174.8 | -176.8 | -172.5 | 0 | 110.7 | D107 L215 | D107-K213 WeakPolarHBondContact OD1-CE 3.38Å; D107-K213 IonicContact OD1-NZ 3.81Å; D107-K213 PolarHBondContact OD1-NZ 2.82Å; D107-K213 WeakPolarHBondContact OD2-CD 3.4Å; D107-K213 IonicContact OD2-NZ 2.67Å; D107-K213 PolarHBondContact OD2-NZ 2.99Å; K213-L215 PolarHBondContact O-N 2.84Å |
| 214 | M | 89.2 | Confident | 89.7 | Confident | 118 Ų | 118 | 52.4 Ų | 52.4 | 58% | 0.581 | 28% | 0.275 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -70.9 | 121.9 | 172 | -173.4 | 178.5 | 67.3 | 0 | 0 | 109.8 | A204 Y205 N212 | A204-M214 CarbonylContact O-C 3.53Å; A204-M214 WeakPolarHBondContact O-CA 3.32Å; Y205-M214 HydrophobicContact CD1-CB 4.31Å; Y205-M214 HydrophobicContact CE1-CB 4.02Å; Y205-M214 HydrophobicContact CE1-CG 4.42Å; N212-M214 PolarHBondContact O-N 2.73Å |
| 215 | L | 93.2 | Very high | 90.1 | Very high | 1 Ų | 1 | 55.4 Ų | 55.4 | 1% | 0.005 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.9 | 159.9 | 174.5 | -54.3 | -178.3 | 0 | 0 | 0 | 110.5 | A93 D105 D107 Y155 G203 A204 W206 K213 | A93-L215 HydrophobicContact CB-CD1 3.91Å; D105-L215 HydrophobicContact CB-CB 4.38Å; D105-L215 HydrophobicContact CB-CD1 4.02Å; D107-L215 HydrophobicContact CB-CD2 3.88Å; Y155-L215 HydrophobicContact CE1-CD2 4.26Å; Y155-L215 HydrophobicContact CE2-CD2 4.39Å; Y155-L215 WeakPolarHBondContact OH-CD2 3.31Å; G203-L215 WeakPolarHBondContact CA-O 3.26Å; A204-L215 PolarHBondContact N-O 3.11Å; A204-L215 PolarHBondContact O-N 3.2Å; W206-L215 HydrophobicContact CB-CD1 4.32Å; W206-L215 HydrophobicContact CE3-CD1 4.04Å; K213-L215 PolarHBondContact O-N 2.84Å |
| 216 | Q | 94 | Very high | 90.5 | Very high | 25 Ų | 25 | 56.9 Ų | 56.9 | 12% | 0.117 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.9 | 116.7 | 172.7 | -66.6 | -175.8 | 71.2 | 0 | 0 | 109.8 | V106 L108 R110 | V106-Q216 HydrophobicContact CG2-CB 4.29Å; V106-Q216 WeakPolarHBondContact CG2-O 3.34Å; V106-Q216 PolarHBondContact N-O 2.87Å; V106-Q216 PolarHBondContact O-N 3Å; L108-Q216 PolarHBondContact O-NE2 2.67Å; L108-Q216 VanDerWaalsContact O-NE2 3.08Å; R110-Q216 PolarHBondContact O-NE2 3.32Å |
| 217 | R | 94.4 | Very high | 90.8 | Very high | 48 Ų | 48 | 63.7 Ų | 63.7 | 18% | 0.181 | 33% | 0.328 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.7 | 122.5 | 176.7 | -175 | 166.4 | -69.3 | -173.9 | -2 | 110.6 | Y103 D105 T201 A202 A204 Y219 | Y103-R217 HydrophobicContact CD2-CG 3.64Å; Y103-R217 HydrophobicContact CE2-CG 4.44Å; Y103-R217 VanDerWaalsContact CE2-NE 3.28Å; Y103-R217 HydrophobicContact CG-CG 3.84Å; Y103-R217 PolarHBondContact OH-NH2 2.86Å; D105-R217 WeakPolarHBondContact OD1-CA 3.48Å; D105-R217 WeakPolarHBondContact OD1-CB 3.28Å; D105-R217 WeakPolarHBondContact OD1-CG 3.11Å; D105-R217 IonicContact OD1-CZ 2.92Å; D105-R217 IonicContact OD1-NE 3.89Å; D105-R217 PolarHBondContact OD1-NE 3.36Å; D105-R217 IonicContact OD1-NH2 3.63Å; D105-R217 IonicContact OD2-CZ 2.85Å; D105-R217 IonicContact OD2-NE 3.52Å; D105-R217 PolarHBondContact OD2-NE 2.84Å; D105-R217 IonicContact OD2-NH2 3.64Å; D105-R217 PolarHBondContact OD2-NH2 3.27Å; T201-R217 CarbonylContact C-O 3.57Å; T201-R217 VanDerWaalsContact CA-O 3.25Å; T201-R217 WeakPolarHBondContact CA-O 3.33Å; A202-R217 HydrophobicContact CB-CB 4.41Å; A202-R217 PolarHBondContact N-O 2.66Å; A202-R217 PolarHBondContact O-N 3.18Å; A204-R217 HydrophobicContact CB-CB 4.29Å; R217-Y219 HydrophobicContact CB-CE2 4.42Å; R217-Y219 WeakPolarHBondContact CD-OH 3.32Å; R217-Y219 HydrophobicContact CG-CD2 4.14Å; R217-Y219 HydrophobicContact CG-CE2 3.67Å |
| 218 | I | 96 | Very high | 91.3 | Very high | 2 Ų | 2 | 59.6 Ų | 59.6 | 1% | 0.01 | 32% | 0.32 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.1 | 117.1 | 176.7 | -52.3 | 166.9 | 0 | 0 | 0 | 108.7 | L79 I83 Y103 Y104 V106 L112 L120 T201 | L79-I218 HydrophobicContact CD1-CG2 4.43Å; L79-I218 HydrophobicContact CD2-CB 4.19Å; L79-I218 HydrophobicContact CD2-CG2 4.11Å; I83-I218 HydrophobicContact CD1-CD1 3.62Å; Y103-I218 CarbonylContact C-O 3.5Å; Y103-I218 WeakPolarHBondContact CA-O 3.4Å; Y103-I218 WeakPolarHBondContact CB-O 3.34Å; Y104-I218 PolarHBondContact N-O 3.25Å; Y104-I218 PolarHBondContact O-N 3.09Å; V106-I218 HydrophobicContact CG2-CD1 4.1Å; L112-I218 HydrophobicContact CD1-CD1 3.46Å; L112-I218 VanDerWaalsContact CD1-CD1 3.46Å; L112-I218 HydrophobicContact CD1-CG1 3.72Å; L120-I218 HydrophobicContact CD2-CD1 4Å; T201-I218 HydrophobicContact CG2-CG1 4.31Å |
| 219 | Y | 95.4 | Very high | 92.1 | Very high | 51 Ų | 51 | 57.1 Ų | 57.1 | 20% | 0.2 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.6 | 139.9 | 177.7 | -71.3 | -91.6 | 0 | 0 | 0 | 111.7 | I98 Y103 M199 K200 A202 R217 | I98-Y219 HydrophobicContact CD1-CD1 4.03Å; I98-Y219 HydrophobicContact CD1-CE1 4.22Å; Y103-Y219 HydrophobicContact CD1-CE1 4.08Å; Y103-Y219 HydrophobicContact CG-CE1 4.35Å; M199-Y219 PolarHBondContact N-O 3.05Å; K200-Y219 HydrophobicContact CG-CD2 3.86Å; K200-Y219 HydrophobicContact CG-CG 4.32Å; K200-Y219 PolarHBondContact O-N 2.72Å; A202-Y219 HydrophobicContact CB-CE2 3.98Å; R217-Y219 HydrophobicContact CB-CE2 4.42Å; R217-Y219 WeakPolarHBondContact CD-OH 3.32Å; R217-Y219 HydrophobicContact CG-CD2 4.14Å; R217-Y219 HydrophobicContact CG-CE2 3.67Å |
| 220 | G | 95.9 | Very high | 92.8 | Very high | 4 Ų | 4 | 57.9 Ų | 57.9 | 4% | 0.041 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.8 | 163.4 | 172.7 | 0 | 0 | 0 | 0 | 0 | 112 | G101 F102 K197 | G101-G220 CarbonylContact C-O 3.32Å; G101-G220 VanDerWaalsContact CA-O 3.25Å; G101-G220 WeakPolarHBondContact CA-O 3.34Å; F102-G220 PolarHBondContact N-O 3.47Å; F102-G220 PolarHBondContact O-N 3.07Å; F102-G220 VanDerWaalsContact O-O 3.05Å; K197-G220 WeakPolarHBondContact O-CA 3.47Å |
| 221 | T | 96.5 | Very high | 93.2 | Very high | 1 Ų | 1 | 56.1 Ų | 56.1 | 1% | 0.006 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.3 | 145.6 | 170.7 | -175.3 | 0 | 0 | 0 | 0 | 109.1 | N100 F196 K197 M199 W223 L229 Y232 | N100-T221 VanDerWaalsContact O-CB 3.3Å; N100-T221 WeakPolarHBondContact O-CB 3.47Å; N100-T221 PolarHBondContact O-OG1 2.93Å; F196-T221 CarbonylContact C-O 3.44Å; F196-T221 WeakPolarHBondContact CA-O 3.24Å; F196-T221 WeakPolarHBondContact CB-O 3.49Å; K197-T221 HydrophobicContact CB-CG2 3.96Å; K197-T221 PolarHBondContact N-O 2.84Å; K197-T221 PolarHBondContact O-N 2.83Å; M199-T221 HydrophobicContact CG-CG2 4.38Å; M199-T221 HydrophobicContact SD-CG2 3.95Å; T221-W223 PolarHBondContact OG1-NE1 2.87Å; T221-L229 HydrophobicContact CG2-CD1 3.99Å; T221-Y232 HydrophobicContact CG2-CD1 3.96Å; T221-Y232 HydrophobicContact CG2-CE1 3.78Å; T221-Y232 WeakPolarHBondContact OG1-CE1 3.49Å |
| 222 | A | 97.2 | Very high | 93.4 | Very high | 0 Ų | 0 | 51.1 Ų | 51.1 | 0% | 0 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.2 | 146.5 | 175.7 | 0 | 0 | 0 | 0 | 0 | 110.6 | I71 R72 C75 F102 H195 F196 | I71-A222 HydrophobicContact CG2-CB 4.03Å; R72-A222 HydrophobicContact CG-CB 4.03Å; R72-A222 PolarHBondContact NE-O 3.45Å; C75-A222 HydrophobicContact CB-CB 4.01Å; C75-A222 VanDerWaalsContact SG-CB 3.55Å; F102-A222 HydrophobicContact CE1-CB 4.05Å; H195-A222 WeakPolarHBondContact O-CA 3.34Å; F196-A222 HydrophobicContact CB-CB 3.98Å |
| 223 | W | 96.9 | Very high | 93.6 | Very high | 29 Ų | 29 | 50.5 Ų | 50.5 | 11% | 0.11 | 25% | 0.252 | C | S | . | . | trans | -137.7 | 154.8 | -175.4 | -63.3 | 81.6 | 0 | 0 | 0 | 111.1 | L68 H195 T221 D225 A228 L229 Y232 | L68-W223 HydrophobicContact CD2-CE3 4.23Å; L68-W223 HydrophobicContact CD2-CZ3 4.23Å; H195-W223 WeakPolarHBondContact CB-O 3.44Å; H195-W223 PolarHBondContact O-N 3.03Å; T221-W223 PolarHBondContact OG1-NE1 2.87Å; W223-D225 VanDerWaalsContact C-N 3.26Å; W223-D225 PolarHBondContact O-N 2.56Å; W223-A228 HydrophobicContact CB-CB 4.06Å; W223-A228 HydrophobicContact CD2-CB 4.18Å; W223-A228 HydrophobicContact CE3-CB 3.79Å; W223-A228 HydrophobicContact CG-CB 4.31Å; W223-L229 HydrophobicContact CB-CB 4.11Å; W223-L229 HydrophobicContact CG-CB 4.11Å; W223-Y232 AromaticContact CE2-CG 3.73Å; W223-Y232 HydrophobicContact CH2-CD2 4.22Å; W223-Y232 HydrophobicContact CH2-CG 4.39Å; W223-Y232 AromaticContact CZ2-CD1 3.95Å; W223-Y232 HydrophobicContact CZ2-CD1 3.95Å; W223-Y232 AromaticContact CZ2-CD2 3.48Å; W223-Y232 HydrophobicContact CZ2-CD2 3.48Å; W223-Y232 VanDerWaalsContact CZ2-CD2 3.48Å; W223-Y232 HydrophobicContact CZ2-CE2 4.12Å; W223-Y232 AromaticContact CZ2-CG 3.37Å; W223-Y232 HydrophobicContact CZ2-CG 3.37Å; W223-Y232 AromaticContact NE1-CD1 3.55Å; W223-Y232 AromaticContact NE1-CG 3.74Å | ||
| 224 | A | 94.3 | Very high | 93.6 | Very high | 39 Ų | 39 | 52.1 Ų | 52.1 | 32% | 0.322 | 26% | 0.262 | S | S | . | . | S | Bend | trans | -63.3 | -30.9 | 178.4 | 0 | 0 | 0 | 0 | 0 | 113.4 | A62 I71 | A62-A224 HydrophobicContact CB-CB 3.99Å; A62-A224 WeakPolarHBondContact O-CB 3.37Å; I71-A224 HydrophobicContact CD1-CB 4.49Å |
| 225 | D | 94.1 | Very high | 93.4 | Very high | 74 Ų | 74 | 51.5 Ų | 51.5 | 40% | 0.396 | 25% | 0.253 | S | S | . | . | S | Bend | trans | -141.8 | 162.1 | 180 | 76.7 | 44.9 | 0 | 0 | 0 | 113.2 | H195 W223 K227 A228 L229 | H195-D225 VanDerWaalsContact CD2-C 3.48Å; H195-D225 WeakPolarHBondContact CD2-CA 3.45Å; W223-D225 VanDerWaalsContact C-N 3.26Å; W223-D225 PolarHBondContact O-N 2.56Å; D225-K227 VanDerWaalsContact C-N 3.26Å; D225-K227 PolarHBondContact O-N 3.16Å; D225-K227 VanDerWaalsContact OD1-CA 3.26Å; D225-K227 WeakPolarHBondContact OD1-CA 3.41Å; D225-K227 VanDerWaalsContact OD1-CB 3.23Å; D225-K227 WeakPolarHBondContact OD1-CB 3.48Å; D225-K227 PolarHBondContact OD1-N 2.79Å; D225-A228 PolarHBondContact O-N 2.88Å; D225-A228 PolarHBondContact OD1-N 3.41Å; D225-L229 PolarHBondContact O-N 3.49Å |
| 226 | K | 94.5 | Very high | 93 | Very high | 134 Ų | 134 | 54.2 Ų | 54.2 | 58% | 0.583 | 27% | 0.267 | S | S | * | . | H | α-helix | trans | -64.2 | -27 | 178.4 | -174 | 170 | -174.6 | 166.8 | 0 | 113.6 | H195 N230 | H195-K226 PolarHBondContact CD2-N 3.1Å; K226-N230 WeakPolarHBondContact O-CB 3.34Å; K226-N230 VanDerWaalsContact O-CG 3.23Å; K226-N230 PolarHBondContact O-N 2.98Å; K226-N230 VanDerWaalsContact O-N 3.07Å; K226-N230 PolarHBondContact O-ND2 2.76Å |
| 227 | K | 94.4 | Very high | 92.6 | Very high | 171 Ų | 171 | 58.4 Ų | 58.4 | 74% | 0.743 | 29% | 0.287 | S | S | * | . | H | α-helix | trans | -71.7 | -45.4 | -179.6 | -179.4 | -168.5 | 170.8 | -159.6 | 0 | 109.7 | D225 N230 A231 | D225-K227 VanDerWaalsContact C-N 3.26Å; D225-K227 PolarHBondContact O-N 3.16Å; D225-K227 VanDerWaalsContact OD1-CA 3.26Å; D225-K227 WeakPolarHBondContact OD1-CA 3.41Å; D225-K227 VanDerWaalsContact OD1-CB 3.23Å; D225-K227 WeakPolarHBondContact OD1-CB 3.48Å; D225-K227 PolarHBondContact OD1-N 2.79Å; K227-N230 PolarHBondContact O-N 2.89Å; K227-A231 WeakPolarHBondContact O-CB 3.34Å; K227-A231 PolarHBondContact O-N 3.17Å |
| 228 | A | 93.2 | Very high | 92 | Very high | 31 Ų | 31 | 59.3 Ų | 59.3 | 26% | 0.256 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -61.9 | -46.6 | 175.6 | 0 | 0 | 0 | 0 | 0 | 111.3 | W223 D225 N230 A231 Y232 | W223-A228 HydrophobicContact CB-CB 4.06Å; W223-A228 HydrophobicContact CD2-CB 4.18Å; W223-A228 HydrophobicContact CE3-CB 3.79Å; W223-A228 HydrophobicContact CG-CB 4.31Å; D225-A228 PolarHBondContact O-N 2.88Å; D225-A228 PolarHBondContact OD1-N 3.41Å; A228-N230 PolarHBondContact O-N 3.23Å; A228-A231 PolarHBondContact O-N 3.38Å; A228-Y232 PolarHBondContact O-N 3.13Å |
| 229 | L | 95.3 | Very high | 91.3 | Very high | 15 Ų | 15 | 60.2 Ų | 60.2 | 8% | 0.079 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -57.1 | -49.9 | 174.1 | 175.5 | 65 | 0 | 0 | 0 | 111.9 | H195 K197 T221 W223 D225 A231 Y232 L233 | H195-L229 HydrophobicContact CB-CD2 4.37Å; K197-L229 HydrophobicContact CB-CD1 4.07Å; T221-L229 HydrophobicContact CG2-CD1 3.99Å; W223-L229 HydrophobicContact CB-CB 4.11Å; W223-L229 HydrophobicContact CG-CB 4.11Å; D225-L229 PolarHBondContact O-N 3.49Å; L229-A231 VanDerWaalsContact C-N 3.32Å; L229-A231 PolarHBondContact O-N 3.29Å; L229-Y232 PolarHBondContact O-N 2.86Å; L229-L233 HydrophobicContact CD1-CD1 3.98Å; L229-L233 HydrophobicContact CD1-CG 4.07Å; L229-L233 HydrophobicContact CG-CD1 3.96Å; L229-L233 HydrophobicContact CG-CG 4.41Å; L229-L233 VanDerWaalsContact O-CG 3.31Å; L229-L233 WeakPolarHBondContact O-CG 3.45Å; L229-L233 PolarHBondContact O-N 2.75Å |
| 230 | N | 93.4 | Very high | 90.8 | Very high | 82 Ų | 82 | 59.8 Ų | 59.8 | 44% | 0.439 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -63.8 | -37.8 | 179.7 | -73.9 | -37.6 | 0 | 0 | 0 | 112.3 | K226 K227 A228 L233 Q234 | K226-N230 WeakPolarHBondContact O-CB 3.34Å; K226-N230 VanDerWaalsContact O-CG 3.23Å; K226-N230 PolarHBondContact O-N 2.98Å; K226-N230 VanDerWaalsContact O-N 3.07Å; K226-N230 PolarHBondContact O-ND2 2.76Å; K227-N230 PolarHBondContact O-N 2.89Å; A228-N230 PolarHBondContact O-N 3.23Å; N230-L233 PolarHBondContact O-N 3.05Å; N230-Q234 VanDerWaalsContact O-CB 3.28Å; N230-Q234 WeakPolarHBondContact O-CB 3.16Å; N230-Q234 PolarHBondContact O-N 3.41Å |
| 231 | A | 90 | Very high | 90.3 | Very high | 46 Ų | 46 | 64.9 Ų | 64.9 | 38% | 0.38 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -63.5 | -43.8 | 175.7 | 0 | 0 | 0 | 0 | 0 | 111 | K227 A228 L229 Q234 R235 | K227-A231 WeakPolarHBondContact O-CB 3.34Å; K227-A231 PolarHBondContact O-N 3.17Å; A228-A231 PolarHBondContact O-N 3.38Å; L229-A231 VanDerWaalsContact C-N 3.32Å; L229-A231 PolarHBondContact O-N 3.29Å; A231-Q234 PolarHBondContact O-N 3.22Å; A231-R235 WeakPolarHBondContact O-CG 3.49Å; A231-R235 PolarHBondContact O-N 3.44Å |
| 232 | Y | 89.4 | Confident | 90 | Very high | 34 Ų | 34 | 67.2 Ų | 67.2 | 13% | 0.133 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -62 | -47.9 | 174.8 | 178.8 | -110.8 | 0 | 0 | 0 | 112.5 | N100 T221 W223 A228 L229 Q234 R235 L236 | N100-Y232 HydrophobicContact CB-CE2 3.84Å; N100-Y232 WeakPolarHBondContact CB-OH 3.4Å; T221-Y232 HydrophobicContact CG2-CD1 3.96Å; T221-Y232 HydrophobicContact CG2-CE1 3.78Å; T221-Y232 WeakPolarHBondContact OG1-CE1 3.49Å; W223-Y232 AromaticContact CE2-CG 3.73Å; W223-Y232 HydrophobicContact CH2-CD2 4.22Å; W223-Y232 HydrophobicContact CH2-CG 4.39Å; W223-Y232 AromaticContact CZ2-CD1 3.95Å; W223-Y232 HydrophobicContact CZ2-CD1 3.95Å; W223-Y232 AromaticContact CZ2-CD2 3.48Å; W223-Y232 HydrophobicContact CZ2-CD2 3.48Å; W223-Y232 VanDerWaalsContact CZ2-CD2 3.48Å; W223-Y232 HydrophobicContact CZ2-CE2 4.12Å; W223-Y232 AromaticContact CZ2-CG 3.37Å; W223-Y232 HydrophobicContact CZ2-CG 3.37Å; W223-Y232 AromaticContact NE1-CD1 3.55Å; W223-Y232 AromaticContact NE1-CG 3.74Å; A228-Y232 PolarHBondContact O-N 3.13Å; L229-Y232 PolarHBondContact O-N 2.86Å; Y232-Q234 VanDerWaalsContact C-N 3.3Å; Y232-Q234 PolarHBondContact O-N 2.7Å; Y232-R235 WeakPolarHBondContact O-CB 3.31Å; Y232-R235 PolarHBondContact O-N 2.89Å; Y232-R235 VanDerWaalsContact O-N 3.14Å; Y232-L236 HydrophobicContact CD1-CD1 4.04Å; Y232-L236 HydrophobicContact CE1-CD1 3.44Å; Y232-L236 VanDerWaalsContact CE1-CD1 3.44Å; Y232-L236 HydrophobicContact CE1-CG 4.15Å; Y232-L236 HydrophobicContact CE2-CD1 4.37Å; Y232-L236 HydrophobicContact CE2-CD2 4.37Å; Y232-L236 HydrophobicContact CE2-CG 4.25Å; Y232-L236 PolarHBondContact O-N 3.13Å |
| 233 | L | 90.6 | Very high | 89.7 | Confident | 49 Ų | 49 | 68.2 Ų | 68.2 | 26% | 0.257 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -61.9 | -37.8 | 177 | -66.6 | 174.8 | 0 | 0 | 0 | 112.3 | K197 M199 L229 N230 L236 E237 | K197-L233 HydrophobicContact CB-CD1 4.49Å; K197-L233 HydrophobicContact CB-CD2 4.28Å; K197-L233 HydrophobicContact CG-CD1 4.35Å; K197-L233 HydrophobicContact CG-CD2 3.97Å; M199-L233 HydrophobicContact SD-CD2 4.27Å; L229-L233 HydrophobicContact CD1-CD1 3.98Å; L229-L233 HydrophobicContact CD1-CG 4.07Å; L229-L233 HydrophobicContact CG-CD1 3.96Å; L229-L233 HydrophobicContact CG-CG 4.41Å; L229-L233 VanDerWaalsContact O-CG 3.31Å; L229-L233 WeakPolarHBondContact O-CG 3.45Å; L229-L233 PolarHBondContact O-N 2.75Å; N230-L233 PolarHBondContact O-N 3.05Å; L233-L236 PolarHBondContact O-N 3.43Å; L233-E237 PolarHBondContact O-N 2.8Å |
| 234 | Q | 87.8 | Confident | 89.6 | Confident | 140 Ų | 140 | 66.8 Ų | 66.8 | 65% | 0.654 | 34% | 0.337 | S | S | * | . | H | α-helix | trans | -65.6 | -41.2 | 174.4 | -174.9 | 179 | -11.9 | 0 | 0 | 111.7 | N230 A231 Y232 E237 E238 | N230-Q234 VanDerWaalsContact O-CB 3.28Å; N230-Q234 WeakPolarHBondContact O-CB 3.16Å; N230-Q234 PolarHBondContact O-N 3.41Å; A231-Q234 PolarHBondContact O-N 3.22Å; Y232-Q234 VanDerWaalsContact C-N 3.3Å; Y232-Q234 PolarHBondContact O-N 2.7Å; Q234-E237 PolarHBondContact O-N 3.11Å; Q234-E238 WeakPolarHBondContact O-CB 3.4Å; Q234-E238 PolarHBondContact O-N 3.34Å |
| 235 | R | 84 | Confident | 89.6 | Confident | 105 Ų | 105 | 70.2 Ų | 70.2 | 40% | 0.396 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -60.1 | -44.5 | 173.5 | -74.6 | -169.1 | -66.3 | 179.4 | 1.5 | 111.4 | A231 Y232 E238 A239 | A231-R235 WeakPolarHBondContact O-CG 3.49Å; A231-R235 PolarHBondContact O-N 3.44Å; Y232-R235 WeakPolarHBondContact O-CB 3.31Å; Y232-R235 PolarHBondContact O-N 2.89Å; Y232-R235 VanDerWaalsContact O-N 3.14Å; R235-E238 PolarHBondContact O-N 2.95Å; R235-A239 WeakPolarHBondContact O-CB 3.21Å; R235-A239 PolarHBondContact O-N 3.44Å |
| 236 | L | 84.8 | Confident | 89.6 | Confident | 59 Ų | 59 | 72.3 Ų | 72.3 | 31% | 0.309 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -64.3 | -39 | 175.9 | -69.7 | -178.7 | 0 | 0 | 0 | 112.9 | M199 Y232 L233 E238 A239 A240 | M199-L236 HydrophobicContact CE-CD1 3.31Å; Y232-L236 HydrophobicContact CD1-CD1 4.04Å; Y232-L236 HydrophobicContact CE1-CD1 3.44Å; Y232-L236 VanDerWaalsContact CE1-CD1 3.44Å; Y232-L236 HydrophobicContact CE1-CG 4.15Å; Y232-L236 HydrophobicContact CE2-CD1 4.37Å; Y232-L236 HydrophobicContact CE2-CD2 4.37Å; Y232-L236 HydrophobicContact CE2-CG 4.25Å; Y232-L236 PolarHBondContact O-N 3.13Å; L233-L236 PolarHBondContact O-N 3.43Å; L236-E238 VanDerWaalsContact C-N 3.34Å; L236-A239 PolarHBondContact O-N 3.32Å; L236-A240 VanDerWaalsContact O-CB 3.28Å; L236-A240 WeakPolarHBondContact O-CB 3.44Å; L236-A240 PolarHBondContact O-N 3Å |
| 237 | E | 85.6 | Confident | 89.6 | Confident | 112 Ų | 112 | 66 Ų | 66 | 52% | 0.523 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -65 | -40.1 | 176 | -164 | -165.7 | 148.7 | 0 | 0 | 111.4 | L233 Q234 A240 K241 | L233-E237 PolarHBondContact O-N 2.8Å; Q234-E237 PolarHBondContact O-N 3.11Å; E237-A240 PolarHBondContact O-N 3.42Å; E237-K241 WeakPolarHBondContact O-CG 3.24Å; E237-K241 PolarHBondContact O-N 3.46Å; E237-K241 VanDerWaalsContact O-N 3.16Å; E237-K241 VanDerWaalsContact OE1-CE 3.27Å; E237-K241 WeakPolarHBondContact OE1-CE 3.46Å; E237-K241 IonicContact OE1-NZ 3.81Å; E237-K241 PolarHBondContact OE1-NZ 2.99Å |
| 238 | E | 82.7 | Confident | 89.7 | Confident | 67 Ų | 67 | 57.9 Ų | 57.9 | 31% | 0.313 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -67.5 | -44.6 | 175.3 | -171.3 | 61.9 | -165.4 | 0 | 0 | 111.4 | Q234 R235 L236 A240 K241 R242 L474 | Q234-E238 WeakPolarHBondContact O-CB 3.4Å; Q234-E238 PolarHBondContact O-N 3.34Å; R235-E238 PolarHBondContact O-N 2.95Å; L236-E238 VanDerWaalsContact C-N 3.34Å; E238-A240 VanDerWaalsContact C-N 3.32Å; E238-A240 PolarHBondContact O-N 2.92Å; E238-K241 WeakPolarHBondContact O-CB 3.43Å; E238-K241 PolarHBondContact O-N 3.26Å; E238-R242 WeakPolarHBondContact O-CG 2.88Å; E238-R242 PolarHBondContact O-N 3.45Å; E238-R242 IonicContact OE1-CZ 2.76Å; E238-R242 IonicContact OE1-NE 3.67Å; E238-R242 PolarHBondContact OE1-NE 2.94Å; E238-R242 IonicContact OE1-NH2 3.68Å; E238-R242 PolarHBondContact OE1-NH2 3.39Å; E238-L474 HydrophobicContact CB-CD2 4.22Å; E238-L474 HydrophobicContact CG-CD2 3.97Å |
| 239 | A | 81.3 | Confident | 89.8 | Confident | 21 Ų | 21 | 64.9 Ų | 64.9 | 17% | 0.174 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -56.5 | -45.2 | 172.8 | 0 | 0 | 0 | 0 | 0 | 112 | R235 L236 K241 R242 D243 L474 | R235-A239 WeakPolarHBondContact O-CB 3.21Å; R235-A239 PolarHBondContact O-N 3.44Å; L236-A239 PolarHBondContact O-N 3.32Å; A239-K241 PolarHBondContact O-N 2.88Å; A239-R242 CarbonylContact O-C 3.5Å; A239-R242 PolarHBondContact O-N 3.43Å; A239-D243 PolarHBondContact O-N 3.22Å; A239-L474 VanDerWaalsContact CA-CD1 3.5Å; A239-L474 HydrophobicContact CB-CD1 3.65Å |
| 240 | A | 84.5 | Confident | 89.8 | Confident | 42 Ų | 42 | 68.6 Ų | 68.6 | 35% | 0.347 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -66.2 | -23.1 | 177.8 | 0 | 0 | 0 | 0 | 0 | 113.6 | L236 E237 E238 K246 | L236-A240 VanDerWaalsContact O-CB 3.28Å; L236-A240 WeakPolarHBondContact O-CB 3.44Å; L236-A240 PolarHBondContact O-N 3Å; E237-A240 PolarHBondContact O-N 3.42Å; E238-A240 VanDerWaalsContact C-N 3.32Å; E238-A240 PolarHBondContact O-N 2.92Å; A240-K246 WeakPolarHBondContact O-CD 3.37Å; A240-K246 PolarHBondContact O-NZ 2.99Å |
| 241 | K | 85.6 | Confident | 89.9 | Confident | 111 Ų | 111 | 65.1 Ų | 65.1 | 48% | 0.483 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -81.1 | -28.6 | 171.7 | -71.6 | 166.2 | -171.9 | 157.6 | 0 | 112.2 | E237 E238 A239 | E237-K241 WeakPolarHBondContact O-CG 3.24Å; E237-K241 PolarHBondContact O-N 3.46Å; E237-K241 VanDerWaalsContact O-N 3.16Å; E237-K241 VanDerWaalsContact OE1-CE 3.27Å; E237-K241 WeakPolarHBondContact OE1-CE 3.46Å; E237-K241 IonicContact OE1-NZ 3.81Å; E237-K241 PolarHBondContact OE1-NZ 2.99Å; E238-K241 WeakPolarHBondContact O-CB 3.43Å; E238-K241 PolarHBondContact O-N 3.26Å; A239-K241 PolarHBondContact O-N 2.88Å |
| 242 | R | 90.2 | Very high | 90.2 | Very high | 51 Ų | 51 | 66.4 Ų | 66.4 | 19% | 0.192 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -87.1 | -12.2 | -179.8 | -69.5 | 179 | 178.7 | -127.9 | 10.3 | 114 | E238 A239 H244 I247 C473 L474 E527 E528 A530 | E238-R242 WeakPolarHBondContact O-CG 2.88Å; E238-R242 PolarHBondContact O-N 3.45Å; E238-R242 IonicContact OE1-CZ 2.76Å; E238-R242 IonicContact OE1-NE 3.67Å; E238-R242 PolarHBondContact OE1-NE 2.94Å; E238-R242 IonicContact OE1-NH2 3.68Å; E238-R242 PolarHBondContact OE1-NH2 3.39Å; A239-R242 CarbonylContact O-C 3.5Å; A239-R242 PolarHBondContact O-N 3.43Å; R242-H244 PolarHBondContact O-N 3.34Å; R242-H244 VanDerWaalsContact O-N 3.12Å; R242-I247 WeakPolarHBondContact O-CD1 3.35Å; R242-C473 PolarHBondContact NH1-SG 3Å; R242-L474 HydrophobicContact CB-CD1 4.37Å; R242-E527 HydrophobicContact CB-CB 4.41Å; R242-E527 WeakPolarHBondContact O-CA 3.27Å; R242-E527 WeakPolarHBondContact O-CG 3.49Å; R242-E528 PolarHBondContact NH1-O 3.09Å; R242-A530 HydrophobicContact CG-CB 3.82Å |
| 243 | D | 90.9 | Very high | 90.6 | Very high | 20 Ų | 20 | 64.9 Ų | 64.9 | 11% | 0.107 | 30% | 0.303 | C | S | . | . | trans | -44.1 | 115.4 | 178.1 | -170.9 | -34.9 | 0 | 0 | 0 | 112.9 | A239 R245 K246 I247 E527 | A239-D243 PolarHBondContact O-N 3.22Å; D243-R245 PolarHBondContact O-N 3.17Å; D243-R245 VanDerWaalsContact O-N 3.11Å; D243-R245 VanDerWaalsContact OD1-CB 3.26Å; D243-R245 WeakPolarHBondContact OD1-CB 3.32Å; D243-R245 WeakPolarHBondContact OD1-CG 3.28Å; D243-R245 IonicContact OD1-CZ 2.81Å; D243-R245 PolarHBondContact OD1-N 2.97Å; D243-R245 IonicContact OD1-NE 3.55Å; D243-R245 PolarHBondContact OD1-NE 3.41Å; D243-R245 IonicContact OD1-NH2 3.84Å; D243-R245 IonicContact OD2-CZ 3.48Å; D243-R245 IonicContact OD2-NE 3.74Å; D243-R245 PolarHBondContact OD2-NE 2.97Å; D243-R245 IonicContact OD2-NH2 3.64Å; D243-R245 PolarHBondContact OD2-NH2 3.33Å; D243-K246 HydrophobicContact CB-CD 4.31Å; D243-K246 HydrophobicContact CB-CG 4.31Å; D243-K246 PolarHBondContact O-N 3.44Å; D243-I247 PolarHBondContact O-N 3.36Å; D243-E527 VanDerWaalsContact CA-OE1 3.31Å; D243-E527 WeakPolarHBondContact CA-OE1 3.19Å | ||
| 244 | H | 94.5 | Very high | 91 | Very high | 0 Ų | 0 | 63.4 Ų | 63.4 | 0% | 0 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -58.9 | -25.3 | -176.5 | 66.3 | -71.5 | 0 | 0 | 0 | 112.6 | R242 G248 Y254 L373 T526 E527 | R242-H244 PolarHBondContact O-N 3.34Å; R242-H244 VanDerWaalsContact O-N 3.12Å; H244-G248 VanDerWaalsContact O-CA 3.31Å; H244-G248 WeakPolarHBondContact O-CA 3.41Å; H244-G248 PolarHBondContact O-N 3.47Å; H244-Y254 PolarHBondContact CD2-OH 3.01Å; H244-Y254 PolarHBondContact O-OH 3.25Å; H244-L373 PolarHBondContact NE2-N 3.15Å; H244-T526 HydrophobicContact CB-CG2 3.92Å; H244-E527 HydrophobicContact CB-CG 3.74Å; H244-E527 IonicContact CE1-OE1 3.59Å; H244-E527 IonicContact CG-OE1 2.63Å; H244-E527 PolarHBondContact N-OE1 3.16Å; H244-E527 IonicContact ND1-OE1 3.73Å; H244-E527 PolarHBondContact ND1-OE1 3.4Å |
| 245 | R | 94.2 | Very high | 91.4 | Very high | 110 Ų | 110 | 60.1 Ų | 60.1 | 42% | 0.415 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -71.8 | -38.6 | 176.9 | -56.6 | 170.2 | -65.2 | 174.3 | -0.6 | 111.6 | D243 K249 Y254 H371 | D243-R245 PolarHBondContact O-N 3.17Å; D243-R245 VanDerWaalsContact O-N 3.11Å; D243-R245 VanDerWaalsContact OD1-CB 3.26Å; D243-R245 WeakPolarHBondContact OD1-CB 3.32Å; D243-R245 WeakPolarHBondContact OD1-CG 3.28Å; D243-R245 IonicContact OD1-CZ 2.81Å; D243-R245 PolarHBondContact OD1-N 2.97Å; D243-R245 IonicContact OD1-NE 3.55Å; D243-R245 PolarHBondContact OD1-NE 3.41Å; D243-R245 IonicContact OD1-NH2 3.84Å; D243-R245 IonicContact OD2-CZ 3.48Å; D243-R245 IonicContact OD2-NE 3.74Å; D243-R245 PolarHBondContact OD2-NE 2.97Å; D243-R245 IonicContact OD2-NH2 3.64Å; D243-R245 PolarHBondContact OD2-NH2 3.33Å; R245-K249 WeakPolarHBondContact O-CB 3.35Å; R245-K249 PolarHBondContact O-N 2.93Å; R245-Y254 WeakPolarHBondContact CA-OH 3.46Å; R245-H371 PolarHBondContact NH1-CE1 3.32Å; R245-H371 VanDerWaalsContact NH1-CE1 3.26Å |
| 246 | K | 94.3 | Very high | 91.9 | Very high | 119 Ų | 119 | 58 Ų | 58 | 52% | 0.517 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -72 | -44.8 | 175.8 | -65.9 | -178.9 | -170.3 | 166.2 | 0 | 110.6 | A240 D243 Q250 | A240-K246 WeakPolarHBondContact O-CD 3.37Å; A240-K246 PolarHBondContact O-NZ 2.99Å; D243-K246 HydrophobicContact CB-CD 4.31Å; D243-K246 HydrophobicContact CB-CG 4.31Å; D243-K246 PolarHBondContact O-N 3.44Å; K246-Q250 WeakPolarHBondContact O-CB 3.28Å; K246-Q250 PolarHBondContact O-N 3.38Å |
| 247 | I | 95.3 | Very high | 92.4 | Very high | 2 Ų | 2 | 58.4 Ų | 58.4 | 1% | 0.01 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -67.2 | -45.4 | 179.2 | -67.1 | -179.4 | 0 | 0 | 0 | 110.8 | R242 D243 K249 Q250 L251 T526 R589 | R242-I247 WeakPolarHBondContact O-CD1 3.35Å; D243-I247 PolarHBondContact O-N 3.36Å; I247-K249 VanDerWaalsContact C-N 3.3Å; I247-K249 PolarHBondContact O-N 3.32Å; I247-Q250 PolarHBondContact O-N 2.79Å; I247-L251 HydrophobicContact CG2-CD1 3.56Å; I247-L251 HydrophobicContact CG2-CG 3.96Å; I247-L251 WeakPolarHBondContact O-CB 3.45Å; I247-L251 WeakPolarHBondContact O-CG 3.24Å; I247-L251 PolarHBondContact O-N 3.07Å; I247-T526 HydrophobicContact CB-CG2 3.8Å; I247-T526 HydrophobicContact CD1-CG2 4.41Å; I247-T526 HydrophobicContact CG2-CG2 3.44Å; I247-T526 VanDerWaalsContact CG2-CG2 3.44Å; I247-R589 VanDerWaalsContact CG2-NH1 3.29Å |
| 248 | G | 96.5 | Very high | 92.7 | Very high | 0 Ų | 0 | 61.1 Ų | 61.1 | 0% | 0 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -56 | -43.9 | 177.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | H244 D252 L253 | H244-G248 VanDerWaalsContact O-CA 3.31Å; H244-G248 WeakPolarHBondContact O-CA 3.41Å; H244-G248 PolarHBondContact O-N 3.47Å; G248-D252 WeakPolarHBondContact O-CA 3.21Å; G248-D252 PolarHBondContact O-N 3.32Å; G248-L253 PolarHBondContact O-N 3Å |
| 249 | K | 95.2 | Very high | 93.3 | Very high | 177 Ų | 177 | 65.1 Ų | 65.1 | 77% | 0.77 | 31% | 0.305 | S | S | * | . | H | α-helix | trans | -67.3 | -41.4 | 172.4 | -174 | 174.5 | -176.2 | 169.7 | 0 | 113.3 | R245 I247 | R245-K249 WeakPolarHBondContact O-CB 3.35Å; R245-K249 PolarHBondContact O-N 2.93Å; I247-K249 VanDerWaalsContact C-N 3.3Å; I247-K249 PolarHBondContact O-N 3.32Å |
| 250 | Q | 94.5 | Very high | 93.9 | Very high | 93 Ų | 93 | 65.1 Ų | 65.1 | 44% | 0.435 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -65.7 | -39.3 | 179.3 | 177.3 | -178.7 | -23.9 | 0 | 0 | 112.3 | K246 I247 L587 | K246-Q250 WeakPolarHBondContact O-CB 3.28Å; K246-Q250 PolarHBondContact O-N 3.38Å; I247-Q250 PolarHBondContact O-N 2.79Å; Q250-L587 PolarHBondContact NE2-O 3.36Å; Q250-L587 VanDerWaalsContact NE2-O 3.11Å |
| 251 | L | 96.5 | Very high | 94.4 | Very high | 9 Ų | 9 | 65.3 Ų | 65.3 | 5% | 0.047 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -92 | -4.4 | -177.7 | -62.5 | -173.8 | 0 | 0 | 0 | 112.8 | I247 L253 F533 R588 R589 | I247-L251 HydrophobicContact CG2-CD1 3.56Å; I247-L251 HydrophobicContact CG2-CG 3.96Å; I247-L251 WeakPolarHBondContact O-CB 3.45Å; I247-L251 WeakPolarHBondContact O-CG 3.24Å; I247-L251 PolarHBondContact O-N 3.07Å; L251-L253 HydrophobicContact CB-CD1 4.27Å; L251-L253 HydrophobicContact CB-CD2 3.97Å; L251-L253 HydrophobicContact CB-CG 3.82Å; L251-L253 HydrophobicContact CD1-CD1 4.47Å; L251-F533 HydrophobicContact CD1-CE2 4.3Å; L251-R588 PolarHBondContact O-NH1 3.2Å; L251-R589 HydrophobicContact CD2-CG 4.37Å |
| 252 | D | 96.5 | Very high | 94.8 | Very high | 74 Ų | 74 | 60.2 Ų | 60.2 | 40% | 0.396 | 28% | 0.282 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 61.2 | 44.8 | 179.6 | -163.3 | 34.3 | 0 | 0 | 0 | 112.9 | G248 H267 | G248-D252 WeakPolarHBondContact O-CA 3.21Å; G248-D252 PolarHBondContact O-N 3.32Å; D252-H267 VanDerWaalsContact O-CB 3.3Å; D252-H267 WeakPolarHBondContact O-CB 3.36Å; D252-H267 PolarHBondContact O-ND1 3.33Å; D252-H267 IonicContact OD1-CE1 2.89Å; D252-H267 PolarHBondContact OD1-CE1 3.46Å; D252-H267 IonicContact OD1-CG 2.86Å; D252-H267 IonicContact OD1-ND1 2.95Å; D252-H267 PolarHBondContact OD1-ND1 2.79Å |
| 253 | L | 97.8 | Very high | 95.1 | Very high | 2 Ų | 2 | 60.5 Ų | 60.5 | 1% | 0.01 | 29% | 0.286 | C | S | . | . | trans | -84.7 | -42.3 | -176.6 | -56.3 | -177.8 | 0 | 0 | 0 | 112.4 | G248 L251 H267 D269 G270 I273 F533 P539 | G248-L253 PolarHBondContact O-N 3Å; L251-L253 HydrophobicContact CB-CD1 4.27Å; L251-L253 HydrophobicContact CB-CD2 3.97Å; L251-L253 HydrophobicContact CB-CG 3.82Å; L251-L253 HydrophobicContact CD1-CD1 4.47Å; L253-H267 WeakPolarHBondContact O-CB 3.41Å; L253-H267 PolarHBondContact O-N 3.26Å; L253-D269 HydrophobicContact CD2-CB 4.07Å; L253-G270 VanDerWaalsContact O-CA 3.3Å; L253-G270 WeakPolarHBondContact O-CA 3.3Å; L253-G270 PolarHBondContact O-N 3.22Å; L253-I273 HydrophobicContact CD1-CD1 4.24Å; L253-I273 HydrophobicContact CD2-CD1 4.03Å; L253-F533 HydrophobicContact CD1-CE2 4.08Å; L253-F533 HydrophobicContact CD1-CZ 4.18Å; L253-P539 HydrophobicContact CD2-CG 4.49Å | ||
| 254 | Y | 98.1 | Very high | 95.4 | Very high | 17 Ų | 17 | 60.8 Ų | 60.8 | 7% | 0.067 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -162.6 | 168.1 | -177.7 | 68.4 | -86.3 | 0 | 0 | 0 | 111.1 | H244 R245 M256 V264 F265 W266 L373 | H244-Y254 PolarHBondContact CD2-OH 3.01Å; H244-Y254 PolarHBondContact O-OH 3.25Å; R245-Y254 WeakPolarHBondContact CA-OH 3.46Å; Y254-M256 HydrophobicContact CE2-CE 4.49Å; Y254-V264 HydrophobicContact CD2-CG1 3.76Å; Y254-V264 HydrophobicContact CG-CG1 3.91Å; Y254-F265 WeakPolarHBondContact CA-O 3.29Å; Y254-F265 WeakPolarHBondContact CB-O 3.38Å; Y254-W266 HydrophobicContact CD1-CZ3 4.08Å; Y254-W266 HydrophobicContact CG-CE3 4.49Å; Y254-W266 HydrophobicContact CG-CZ3 4.38Å; Y254-L373 HydrophobicContact CD1-CD1 3.93Å; Y254-L373 HydrophobicContact CD1-CD2 4.31Å; Y254-L373 HydrophobicContact CD1-CG 4.36Å; Y254-L373 HydrophobicContact CD2-CD2 3.98Å; Y254-L373 HydrophobicContact CD2-CG 4.49Å; Y254-L373 HydrophobicContact CE1-CD1 3.45Å; Y254-L373 VanDerWaalsContact CE1-CD1 3.45Å; Y254-L373 HydrophobicContact CE1-CD2 4.2Å; Y254-L373 HydrophobicContact CE1-CG 3.8Å; Y254-L373 HydrophobicContact CE2-CD1 4.48Å; Y254-L373 HydrophobicContact CE2-CD2 3.82Å; Y254-L373 HydrophobicContact CE2-CG 3.92Å; Y254-L373 HydrophobicContact CG-CD2 4.23Å |
| 255 | H | 97.5 | Very high | 95.5 | Very high | 71 Ų | 71 | 64.8 Ų | 64.8 | 33% | 0.329 | 31% | 0.306 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.9 | 172.7 | 162.8 | 75.8 | -76.8 | 0 | 0 | 0 | 111.8 | Q257 F265 H267 | H255-Q257 PolarHBondContact NE2-OE1 3.22Å; H255-F265 WeakPolarHBondContact CE1-CB 3.34Å; H255-F265 AromaticContact CE1-CG 3.71Å; H255-F265 PolarHBondContact N-O 2.67Å; H255-F265 WeakPolarHBondContact ND1-CB 3.42Å; H255-F265 AromaticContact NE2-CG 3.91Å; H255-F265 PolarHBondContact O-N 2.94Å; H255-H267 AromaticContact CE1-NE2 3.73Å; H255-H267 AromaticContact CG-NE2 3.73Å; H255-H267 AromaticContact ND1-CD2 3.72Å; H255-H267 AromaticContact ND1-CE1 3.82Å; H255-H267 AromaticContact ND1-NE2 2.8Å; H255-H267 PolarHBondContact ND1-NE2 2.75Å |
| 256 | M | 94.3 | Very high | 95.7 | Very high | 61 Ų | 61 | 61.6 Ų | 61.6 | 30% | 0.3 | 29% | 0.294 | S | S | . | . | trans | -130.9 | 155 | 168.9 | -59.9 | -156.6 | -178.1 | 0 | 0 | 109.2 | Y254 V264 G372 L373 V376 | Y254-M256 HydrophobicContact CE2-CE 4.49Å; M256-V264 HydrophobicContact CE-CB 4.28Å; M256-V264 HydrophobicContact CE-CG1 4.31Å; M256-V264 HydrophobicContact CE-CG2 3.6Å; M256-G372 WeakPolarHBondContact CE-O 3.45Å; M256-L373 HydrophobicContact CE-CD2 4.11Å; M256-V376 HydrophobicContact CE-CG1 3.99Å | ||
| 257 | Q | 94.2 | Very high | 95.9 | Very high | 67 Ų | 67 | 58.4 Ų | 58.4 | 31% | 0.313 | 28% | 0.281 | S | S | . | . | trans | -144.6 | 159.8 | -177.9 | 59.1 | 179.7 | 80.3 | 0 | 0 | 111.1 | H255 E259 A260 F265 | H255-Q257 PolarHBondContact NE2-OE1 3.22Å; Q257-E259 VanDerWaalsContact C-N 3.27Å; Q257-E259 WeakPolarHBondContact CB-OE2 3.29Å; Q257-E259 WeakPolarHBondContact CG-OE2 3.09Å; Q257-E259 PolarHBondContact NE2-OE2 3.07Å; Q257-E259 PolarHBondContact O-N 3.28Å; Q257-A260 CarbonylContact O-C 3.44Å; Q257-A260 PolarHBondContact O-N 2.94Å; Q257-F265 HydrophobicContact CG-CD2 4.02Å; Q257-F265 HydrophobicContact CG-CE2 3.47Å; Q257-F265 VanDerWaalsContact CG-CE2 3.47Å; Q257-F265 HydrophobicContact CG-CZ 4.08Å | ||
| 258 | E | 92.9 | Very high | 96 | Very high | 170 Ų | 170 | 63.3 Ų | 63.3 | 79% | 0.794 | 31% | 0.307 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.2 | -24.8 | -172.9 | -65.2 | -62.6 | 141.3 | 0 | 0 | 113.1 | A260 P261 | E258-A260 PolarHBondContact O-N 2.73Å; E258-P261 VanDerWaalsContact O-CD 3.31Å; E258-P261 WeakPolarHBondContact O-CD 3.37Å; E258-P261 WeakPolarHBondContact O-CG 3.31Å |
| 259 | E | 95.3 | Very high | 96.1 | Very high | 151 Ų | 151 | 64.4 Ų | 64.4 | 71% | 0.706 | 31% | 0.313 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.4 | -19.4 | 178 | -61.5 | 79.8 | -176.6 | 0 | 0 | 112.9 | Q257 | Q257-E259 VanDerWaalsContact C-N 3.27Å; Q257-E259 WeakPolarHBondContact CB-OE2 3.29Å; Q257-E259 WeakPolarHBondContact CG-OE2 3.09Å; Q257-E259 PolarHBondContact NE2-OE2 3.07Å; Q257-E259 PolarHBondContact O-N 3.28Å |
| 260 | A | 94.4 | Very high | 96.2 | Very high | 20 Ų | 20 | 56 Ų | 56 | 17% | 0.165 | 28% | 0.276 | C | S | . | . | S | Bend | trans | -141.5 | 72 | 175.5 | 0 | 0 | 0 | 0 | 0 | 111.1 | Q257 E258 G262 M263 F265 | Q257-A260 CarbonylContact O-C 3.44Å; Q257-A260 PolarHBondContact O-N 2.94Å; E258-A260 PolarHBondContact O-N 2.73Å; A260-G262 PolarHBondContact O-N 2.76Å; A260-M263 HydrophobicContact CB-CB 3.98Å; A260-M263 HydrophobicContact CB-CG 4.42Å; A260-M263 HydrophobicContact CB-SD 4.19Å; A260-M263 PolarHBondContact O-N 3.01Å; A260-F265 HydrophobicContact CB-CE2 4.11Å; A260-F265 HydrophobicContact CB-CZ 4.5Å |
| 261 | P | 93.9 | Very high | 96.3 | Very high | 47 Ų | 47 | 56.6 Ų | 56.6 | 31% | 0.305 | 27% | 0.274 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -58.8 | 130.5 | -174.3 | -22.9 | 34 | 0 | 0 | 0 | 111.3 | E258 M263 L370 R377 | E258-P261 VanDerWaalsContact O-CD 3.31Å; E258-P261 WeakPolarHBondContact O-CD 3.37Å; E258-P261 WeakPolarHBondContact O-CG 3.31Å; P261-M263 PolarHBondContact O-N 3.28Å; P261-L370 HydrophobicContact CB-CD1 4.06Å; P261-R377 VanDerWaalsContact O-CD 3.25Å; P261-R377 WeakPolarHBondContact O-CD 3.5Å |
| 262 | G | 93.8 | Very high | 96.4 | Very high | 4 Ų | 4 | 56.4 Ų | 56.4 | 4% | 0.041 | 27% | 0.274 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 68 | 16.3 | 179.5 | 0 | 0 | 0 | 0 | 0 | 114.3 | A260 V376 R377 G378 | A260-G262 PolarHBondContact O-N 2.76Å; G262-V376 CarbonylContact O-C 3.45Å; G262-V376 WeakPolarHBondContact O-CA 3.47Å; G262-V376 VanDerWaalsContact O-CB 3.27Å; G262-V376 WeakPolarHBondContact O-CB 3.36Å; G262-R377 PolarHBondContact O-N 3.01Å; G262-G378 PolarHBondContact O-N 2.86Å |
| 263 | M | 96.1 | Very high | 96.5 | Very high | 57 Ų | 57 | 52.9 Ų | 52.9 | 28% | 0.281 | 26% | 0.255 | S | S | . | . | trans | -114.4 | 131.4 | 172.1 | -57.1 | -178.1 | -171.1 | 0 | 0 | 108.9 | A260 P261 R377 | A260-M263 HydrophobicContact CB-CB 3.98Å; A260-M263 HydrophobicContact CB-CG 4.42Å; A260-M263 HydrophobicContact CB-SD 4.19Å; A260-M263 PolarHBondContact O-N 3.01Å; P261-M263 PolarHBondContact O-N 3.28Å; M263-R377 HydrophobicContact CE-CB 4.42Å | ||
| 264 | V | 97.3 | Very high | 96.5 | Very high | 25 Ų | 25 | 52.9 Ų | 52.9 | 15% | 0.152 | 26% | 0.255 | C | S | . | . | trans | -90.8 | 126.6 | -167.1 | -163.5 | 0 | 0 | 0 | 0 | 110.9 | Y254 M256 W266 L373 V376 E519 | Y254-V264 HydrophobicContact CD2-CG1 3.76Å; Y254-V264 HydrophobicContact CG-CG1 3.91Å; M256-V264 HydrophobicContact CE-CB 4.28Å; M256-V264 HydrophobicContact CE-CG1 4.31Å; M256-V264 HydrophobicContact CE-CG2 3.6Å; V264-W266 HydrophobicContact CG1-CD2 3.9Å; V264-W266 HydrophobicContact CG1-CE3 4.35Å; V264-W266 HydrophobicContact CG1-CG 4.28Å; V264-W266 HydrophobicContact CG1-CZ2 4.13Å; V264-W266 PolarHBondContact O-N 2.63Å; V264-L373 HydrophobicContact CB-CD2 4.29Å; V264-L373 HydrophobicContact CG1-CD2 3.6Å; V264-L373 HydrophobicContact CG2-CD2 3.68Å; V264-V376 HydrophobicContact CG2-CG1 4.11Å; V264-E519 HydrophobicContact CG2-CG 3.93Å | ||
| 265 | F | 98 | Very high | 96.4 | Very high | 84 Ų | 84 | 57.5 Ų | 57.5 | 37% | 0.368 | 27% | 0.272 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.3 | 95.7 | 165.6 | -72 | -98.8 | 0 | 0 | 0 | 108.8 | Y254 H255 Q257 A260 H267 | Y254-F265 WeakPolarHBondContact CA-O 3.29Å; Y254-F265 WeakPolarHBondContact CB-O 3.38Å; H255-F265 WeakPolarHBondContact CE1-CB 3.34Å; H255-F265 AromaticContact CE1-CG 3.71Å; H255-F265 PolarHBondContact N-O 2.67Å; H255-F265 WeakPolarHBondContact ND1-CB 3.42Å; H255-F265 AromaticContact NE2-CG 3.91Å; H255-F265 PolarHBondContact O-N 2.94Å; Q257-F265 HydrophobicContact CG-CD2 4.02Å; Q257-F265 HydrophobicContact CG-CE2 3.47Å; Q257-F265 VanDerWaalsContact CG-CE2 3.47Å; Q257-F265 HydrophobicContact CG-CZ 4.08Å; A260-F265 HydrophobicContact CB-CE2 4.11Å; A260-F265 HydrophobicContact CB-CZ 4.5Å; F265-H267 PolarHBondContact O-CD2 2.89Å |
| 266 | W | 98 | Very high | 96.4 | Very high | 44 Ų | 44 | 56.5 Ų | 56.5 | 17% | 0.167 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.9 | 126.8 | 176.7 | -67.5 | 109.5 | 0 | 0 | 0 | 111.2 | Y254 V264 W271 F274 L373 E519 I522 | Y254-W266 HydrophobicContact CD1-CZ3 4.08Å; Y254-W266 HydrophobicContact CG-CE3 4.49Å; Y254-W266 HydrophobicContact CG-CZ3 4.38Å; V264-W266 HydrophobicContact CG1-CD2 3.9Å; V264-W266 HydrophobicContact CG1-CE3 4.35Å; V264-W266 HydrophobicContact CG1-CG 4.28Å; V264-W266 HydrophobicContact CG1-CZ2 4.13Å; V264-W266 PolarHBondContact O-N 2.63Å; W266-W271 HydrophobicContact CB-CB 4.2Å; W266-W271 HydrophobicContact CB-CD2 4.48Å; W266-W271 HydrophobicContact CB-CE3 3.76Å; W266-W271 AromaticContact CD1-CE3 3.79Å; W266-W271 AromaticContact CD1-CZ3 3.8Å; W266-W271 AromaticContact CG-CE3 3.78Å; W266-W271 HydrophobicContact CG-CE3 3.78Å; W266-W271 HydrophobicContact CG-CZ3 4.26Å; W266-F274 HydrophobicContact CZ2-CD2 4.02Å; W266-F274 HydrophobicContact CZ2-CE2 4.45Å; W266-L373 HydrophobicContact CH2-CD1 3.7Å; W266-L373 HydrophobicContact CH2-CD2 3.89Å; W266-L373 HydrophobicContact CH2-CG 4.46Å; W266-L373 HydrophobicContact CZ2-CD2 4.1Å; W266-L373 HydrophobicContact CZ3-CD1 4.22Å; W266-E519 HydrophobicContact CZ2-CB 4.35Å; W266-E519 HydrophobicContact CZ2-CG 3.96Å; W266-I522 HydrophobicContact CH2-CB 4.1Å; W266-I522 HydrophobicContact CH2-CD1 3.62Å; W266-I522 HydrophobicContact CH2-CG1 4.48Å; W266-I522 HydrophobicContact CH2-CG2 3.83Å; W266-I522 HydrophobicContact CZ2-CD1 4.05Å; W266-I522 HydrophobicContact CZ3-CD1 4.21Å; W266-I522 HydrophobicContact CZ3-CG2 4.07Å |
| 267 | H | 98.2 | Very high | 96.5 | Very high | 52 Ų | 52 | 53.6 Ų | 53.6 | 24% | 0.241 | 25% | 0.253 | C | S | . | . | trans | -86 | 170.9 | 171.6 | -59.9 | -176.2 | 0 | 0 | 0 | 109.6 | D252 L253 H255 F265 D269 G270 W271 | D252-H267 VanDerWaalsContact O-CB 3.3Å; D252-H267 WeakPolarHBondContact O-CB 3.36Å; D252-H267 PolarHBondContact O-ND1 3.33Å; D252-H267 IonicContact OD1-CE1 2.89Å; D252-H267 PolarHBondContact OD1-CE1 3.46Å; D252-H267 IonicContact OD1-CG 2.86Å; D252-H267 IonicContact OD1-ND1 2.95Å; D252-H267 PolarHBondContact OD1-ND1 2.79Å; L253-H267 WeakPolarHBondContact O-CB 3.41Å; L253-H267 PolarHBondContact O-N 3.26Å; H255-H267 AromaticContact CE1-NE2 3.73Å; H255-H267 AromaticContact CG-NE2 3.73Å; H255-H267 AromaticContact ND1-CD2 3.72Å; H255-H267 AromaticContact ND1-CE1 3.82Å; H255-H267 AromaticContact ND1-NE2 2.8Å; H255-H267 PolarHBondContact ND1-NE2 2.75Å; F265-H267 PolarHBondContact O-CD2 2.89Å; H267-D269 VanDerWaalsContact C-N 3.27Å; H267-D269 PolarHBondContact O-N 2.83Å; H267-G270 PolarHBondContact O-N 2.8Å; H267-W271 VanDerWaalsContact O-CB 3.27Å; H267-W271 WeakPolarHBondContact O-CB 3.39Å; H267-W271 PolarHBondContact O-N 3.15Å | ||
| 268 | N | 97.5 | Very high | 96.6 | Very high | 105 Ų | 105 | 51.8 Ų | 51.8 | 56% | 0.561 | 25% | 0.245 | S | C | * | . | H | α-helix | trans | -51.1 | -45 | -178.4 | 178.5 | 75.4 | 0 | 0 | 0 | 113.6 | T272 | N268-T272 WeakPolarHBondContact O-CB 3.42Å; N268-T272 PolarHBondContact O-N 3.48Å; N268-T272 PolarHBondContact O-OG1 2.85Å |
| 269 | D | 97.4 | Very high | 96.7 | Very high | 23 Ų | 23 | 47.7 Ų | 47.7 | 12% | 0.123 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -73.8 | -38.4 | -175.7 | -71.4 | 5.6 | 0 | 0 | 0 | 110.9 | L253 H267 T272 I273 P539 K570 | L253-D269 HydrophobicContact CD2-CB 4.07Å; H267-D269 VanDerWaalsContact C-N 3.27Å; H267-D269 PolarHBondContact O-N 2.83Å; D269-T272 PolarHBondContact O-N 2.81Å; D269-I273 PolarHBondContact O-N 2.85Å; D269-P539 HydrophobicContact CB-CB 3.66Å; D269-P539 HydrophobicContact CB-CG 3.88Å; D269-P539 VanDerWaalsContact O-CB 3.28Å; D269-P539 WeakPolarHBondContact O-CB 3.26Å; D269-K570 IonicContact OD1-NZ 2.8Å; D269-K570 PolarHBondContact OD1-NZ 3.1Å; D269-K570 IonicContact OD2-NZ 3.2Å |
| 270 | G | 97.6 | Very high | 96.7 | Very high | 0 Ų | 0 | 40.6 Ų | 40.6 | 0% | 0 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -69.2 | -40.7 | 173.1 | 0 | 0 | 0 | 0 | 0 | 113.2 | L253 H267 T272 I273 F274 | L253-G270 VanDerWaalsContact O-CA 3.3Å; L253-G270 WeakPolarHBondContact O-CA 3.3Å; L253-G270 PolarHBondContact O-N 3.22Å; H267-G270 PolarHBondContact O-N 2.8Å; G270-T272 VanDerWaalsContact C-N 3.25Å; G270-T272 PolarHBondContact O-N 3.28Å; G270-I273 WeakPolarHBondContact O-CB 3.38Å; G270-I273 PolarHBondContact O-N 3.41Å; G270-I273 VanDerWaalsContact O-N 3.17Å; G270-F274 PolarHBondContact O-N 2.81Å |
| 271 | W | 98.1 | Very high | 96.8 | Very high | 105 Ų | 105 | 39.7 Ų | 39.7 | 40% | 0.398 | 19% | 0.191 | S | C | . | . | H | α-helix | trans | -65.1 | -30.1 | 176.2 | -167 | -117.3 | 0 | 0 | 0 | 112.5 | W266 H267 F274 R275 | W266-W271 HydrophobicContact CB-CB 4.2Å; W266-W271 HydrophobicContact CB-CD2 4.48Å; W266-W271 HydrophobicContact CB-CE3 3.76Å; W266-W271 AromaticContact CD1-CE3 3.79Å; W266-W271 AromaticContact CD1-CZ3 3.8Å; W266-W271 AromaticContact CG-CE3 3.78Å; W266-W271 HydrophobicContact CG-CE3 3.78Å; W266-W271 HydrophobicContact CG-CZ3 4.26Å; H267-W271 VanDerWaalsContact O-CB 3.27Å; H267-W271 WeakPolarHBondContact O-CB 3.39Å; H267-W271 PolarHBondContact O-N 3.15Å; W271-F274 HydrophobicContact CE3-CB 4.04Å; W271-F274 HydrophobicContact CE3-CD1 4.32Å; W271-F274 HydrophobicContact CE3-CD2 4.4Å; W271-F274 HydrophobicContact CE3-CG 4.02Å; W271-F274 HydrophobicContact CH2-CD1 4.11Å; W271-F274 HydrophobicContact CH2-CE1 4.14Å; W271-F274 HydrophobicContact CZ3-CB 4.38Å; W271-F274 AromaticContact CZ3-CD1 3.87Å; W271-F274 HydrophobicContact CZ3-CD1 3.87Å; W271-F274 HydrophobicContact CZ3-CD2 4.07Å; W271-F274 HydrophobicContact CZ3-CE1 4.11Å; W271-F274 HydrophobicContact CZ3-CE2 4.29Å; W271-F274 AromaticContact CZ3-CG 3.86Å; W271-F274 HydrophobicContact CZ3-CG 3.86Å; W271-F274 HydrophobicContact CZ3-CZ 4.31Å; W271-F274 WeakPolarHBondContact O-CB 3.49Å; W271-F274 PolarHBondContact O-N 2.74Å; W271-R275 WeakPolarHBondContact O-CG 3.46Å; W271-R275 PolarHBondContact O-N 2.67Å |
| 272 | T | 97.9 | Very high | 96.9 | Very high | 6 Ų | 6 | 41.5 Ų | 41.5 | 4% | 0.037 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -63.3 | -47.3 | 172.1 | -62.8 | 0 | 0 | 0 | 0 | 110.8 | N268 D269 G270 F274 R275 E276 P539 R568 | N268-T272 WeakPolarHBondContact O-CB 3.42Å; N268-T272 PolarHBondContact O-N 3.48Å; N268-T272 PolarHBondContact O-OG1 2.85Å; D269-T272 PolarHBondContact O-N 2.81Å; G270-T272 VanDerWaalsContact C-N 3.25Å; G270-T272 PolarHBondContact O-N 3.28Å; T272-F274 VanDerWaalsContact C-N 3.29Å; T272-F274 PolarHBondContact O-N 3.46Å; T272-R275 PolarHBondContact O-N 3.44Å; T272-E276 HydrophobicContact CG2-CG 4.44Å; T272-E276 VanDerWaalsContact O-CG 3.31Å; T272-E276 WeakPolarHBondContact O-CG 3.49Å; T272-E276 PolarHBondContact O-N 3.37Å; T272-P539 HydrophobicContact CG2-CB 4.3Å; T272-R568 VanDerWaalsContact CG2-CD 3.49Å |
| 273 | I | 97.7 | Very high | 96.9 | Very high | 0 Ų | 0 | 43.7 Ų | 43.7 | 0% | 0 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -57.9 | -45.4 | 175.7 | -59.7 | 168.2 | 0 | 0 | 0 | 110.4 | L253 D269 G270 R275 E276 L277 I522 F533 L537 P539 | L253-I273 HydrophobicContact CD1-CD1 4.24Å; L253-I273 HydrophobicContact CD2-CD1 4.03Å; D269-I273 PolarHBondContact O-N 2.85Å; G270-I273 WeakPolarHBondContact O-CB 3.38Å; G270-I273 PolarHBondContact O-N 3.41Å; G270-I273 VanDerWaalsContact O-N 3.17Å; I273-R275 PolarHBondContact O-N 2.89Å; I273-E276 PolarHBondContact O-N 3.43Å; I273-L277 HydrophobicContact CG2-CD1 4.22Å; I273-L277 WeakPolarHBondContact O-CG 3.3Å; I273-L277 PolarHBondContact O-N 2.79Å; I273-I522 HydrophobicContact CG2-CG1 4.24Å; I273-F533 HydrophobicContact CD1-CD2 3.98Å; I273-F533 HydrophobicContact CD1-CE1 4.22Å; I273-F533 HydrophobicContact CD1-CE2 3.54Å; I273-F533 HydrophobicContact CD1-CG 4.49Å; I273-F533 HydrophobicContact CD1-CZ 3.67Å; I273-L537 HydrophobicContact CG2-CD2 4.44Å; I273-P539 HydrophobicContact CD1-CG 4.43Å; I273-P539 HydrophobicContact CG1-CG 4.46Å |
| 274 | F | 97.9 | Very high | 96.9 | Very high | 2 Ų | 2 | 42 Ų | 42 | 1% | 0.009 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -55.5 | -50.4 | 177.6 | -166 | -71.1 | 0 | 0 | 0 | 112 | W266 G270 W271 T272 E276 L277 E278 T380 M518 I522 | W266-F274 HydrophobicContact CZ2-CD2 4.02Å; W266-F274 HydrophobicContact CZ2-CE2 4.45Å; G270-F274 PolarHBondContact O-N 2.81Å; W271-F274 HydrophobicContact CE3-CB 4.04Å; W271-F274 HydrophobicContact CE3-CD1 4.32Å; W271-F274 HydrophobicContact CE3-CD2 4.4Å; W271-F274 HydrophobicContact CE3-CG 4.02Å; W271-F274 HydrophobicContact CH2-CD1 4.11Å; W271-F274 HydrophobicContact CH2-CE1 4.14Å; W271-F274 HydrophobicContact CZ3-CB 4.38Å; W271-F274 AromaticContact CZ3-CD1 3.87Å; W271-F274 HydrophobicContact CZ3-CD1 3.87Å; W271-F274 HydrophobicContact CZ3-CD2 4.07Å; W271-F274 HydrophobicContact CZ3-CE1 4.11Å; W271-F274 HydrophobicContact CZ3-CE2 4.29Å; W271-F274 AromaticContact CZ3-CG 3.86Å; W271-F274 HydrophobicContact CZ3-CG 3.86Å; W271-F274 HydrophobicContact CZ3-CZ 4.31Å; W271-F274 WeakPolarHBondContact O-CB 3.49Å; W271-F274 PolarHBondContact O-N 2.74Å; T272-F274 VanDerWaalsContact C-N 3.29Å; T272-F274 PolarHBondContact O-N 3.46Å; F274-E276 PolarHBondContact O-N 2.89Å; F274-L277 PolarHBondContact O-N 3.12Å; F274-E278 HydrophobicContact CD1-CG 4Å; F274-E278 HydrophobicContact CE1-CG 3.9Å; F274-E278 WeakPolarHBondContact CE1-OE1 3.44Å; F274-E278 PolarHBondContact O-N 2.98Å; F274-T380 HydrophobicContact CZ-CG2 4.21Å; F274-M518 HydrophobicContact CD2-CB 4.02Å; F274-M518 HydrophobicContact CE1-CB 4.4Å; F274-M518 HydrophobicContact CE1-CG 4.43Å; F274-M518 HydrophobicContact CE2-CB 3.37Å; F274-M518 HydrophobicContact CE2-CG 4.21Å; F274-M518 HydrophobicContact CZ-CB 3.59Å; F274-M518 HydrophobicContact CZ-CG 3.92Å; F274-I522 HydrophobicContact CB-CD1 3.84Å; F274-I522 HydrophobicContact CD2-CD1 3.59Å; F274-I522 HydrophobicContact CG-CD1 4.07Å |
| 275 | R | 97.2 | Very high | 96.8 | Very high | 114 Ų | 114 | 41.4 Ų | 41.4 | 43% | 0.43 | 19% | 0.193 | S | C | . | . | H | α-helix | trans | -64.7 | -39.4 | 179.5 | -71.3 | -173.5 | -59.8 | 167.3 | 3.5 | 113.2 | W271 T272 I273 L277 E278 V279 | W271-R275 WeakPolarHBondContact O-CG 3.46Å; W271-R275 PolarHBondContact O-N 2.67Å; T272-R275 PolarHBondContact O-N 3.44Å; I273-R275 PolarHBondContact O-N 2.89Å; R275-L277 VanDerWaalsContact C-N 3.29Å; R275-L277 PolarHBondContact O-N 3.27Å; R275-E278 PolarHBondContact O-N 2.77Å; R275-V279 WeakPolarHBondContact O-CG2 3.38Å; R275-V279 PolarHBondContact O-N 3.42Å |
| 276 | E | 96.3 | Very high | 96.7 | Very high | 49 Ų | 49 | 45.8 Ų | 45.8 | 23% | 0.229 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -64 | -37.3 | 177.1 | -65.5 | -62.1 | 145.9 | 0 | 0 | 111.6 | T272 I273 F274 V279 F280 L537 R568 | T272-E276 HydrophobicContact CG2-CG 4.44Å; T272-E276 VanDerWaalsContact O-CG 3.31Å; T272-E276 WeakPolarHBondContact O-CG 3.49Å; T272-E276 PolarHBondContact O-N 3.37Å; I273-E276 PolarHBondContact O-N 3.43Å; F274-E276 PolarHBondContact O-N 2.89Å; E276-V279 PolarHBondContact O-N 3.27Å; E276-F280 PolarHBondContact O-N 3.24Å; E276-L537 HydrophobicContact CB-CD2 4.18Å; E276-R568 IonicContact OE1-CZ 2.76Å; E276-R568 IonicContact OE1-NH1 3.53Å; E276-R568 PolarHBondContact OE1-NH1 3.07Å; E276-R568 IonicContact OE2-NH1 2.66Å; E276-R568 PolarHBondContact OE2-NH1 3.1Å; E276-R568 VanDerWaalsContact OE2-NH1 3.1Å |
| 277 | L | 96.2 | Very high | 96.5 | Very high | 0 Ų | 0 | 49.5 Ų | 49.5 | 0% | 0 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -66.1 | -44.1 | 172.7 | -70.2 | 170.5 | 0 | 0 | 0 | 111.6 | I273 F274 R275 V279 F280 V281 F411 M518 F521 I522 L525 W536 L537 | I273-L277 HydrophobicContact CG2-CD1 4.22Å; I273-L277 WeakPolarHBondContact O-CG 3.3Å; I273-L277 PolarHBondContact O-N 2.79Å; F274-L277 PolarHBondContact O-N 3.12Å; R275-L277 VanDerWaalsContact C-N 3.29Å; R275-L277 PolarHBondContact O-N 3.27Å; L277-V279 VanDerWaalsContact C-N 3.32Å; L277-V279 PolarHBondContact O-N 3.08Å; L277-F280 WeakPolarHBondContact O-CB 3.49Å; L277-F280 PolarHBondContact O-N 2.67Å; L277-V281 VanDerWaalsContact O-CG2 3.24Å; L277-V281 WeakPolarHBondContact O-CG2 3.33Å; L277-V281 PolarHBondContact O-N 3Å; L277-F411 HydrophobicContact CD2-CE1 3.62Å; L277-F411 HydrophobicContact CD2-CZ 3.59Å; L277-M518 HydrophobicContact CB-CE 3.33Å; L277-M518 HydrophobicContact CD1-CE 4.19Å; L277-M518 HydrophobicContact CG-CE 4.41Å; L277-F521 HydrophobicContact CD1-CD1 4.31Å; L277-F521 HydrophobicContact CD2-CD1 4.45Å; L277-F521 HydrophobicContact CD2-CE1 4.26Å; L277-I522 HydrophobicContact CD1-CD1 4.18Å; L277-I522 HydrophobicContact CD1-CG1 3.51Å; L277-L525 HydrophobicContact CD1-CD1 4.05Å; L277-L525 HydrophobicContact CD2-CD1 3.96Å; L277-W536 HydrophobicContact CD2-CH2 4.21Å; L277-L537 HydrophobicContact CD2-CD2 3.75Å; L277-L537 HydrophobicContact CG-CD2 3.88Å |
| 278 | E | 96.4 | Very high | 96.4 | Very high | 29 Ų | 29 | 49.5 Ų | 49.5 | 14% | 0.136 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -57.9 | -45.3 | 174.2 | -71.1 | -167.5 | 156.6 | 0 | 0 | 111.8 | F274 R275 F280 V281 R282 F358 M518 | F274-E278 HydrophobicContact CD1-CG 4Å; F274-E278 HydrophobicContact CE1-CG 3.9Å; F274-E278 WeakPolarHBondContact CE1-OE1 3.44Å; F274-E278 PolarHBondContact O-N 2.98Å; R275-E278 PolarHBondContact O-N 2.77Å; E278-F280 VanDerWaalsContact C-N 3.31Å; E278-F280 PolarHBondContact O-N 3.29Å; E278-V281 PolarHBondContact O-N 3.46Å; E278-R282 WeakPolarHBondContact O-CB 3.2Å; E278-R282 VanDerWaalsContact O-CG 3.28Å; E278-R282 WeakPolarHBondContact O-CG 3.41Å; E278-R282 PolarHBondContact O-N 3.2Å; E278-R282 IonicContact OE2-CZ 2.73Å; E278-R282 IonicContact OE2-NH1 2.72Å; E278-R282 PolarHBondContact OE2-NH1 3.49Å; E278-R282 IonicContact OE2-NH2 3.71Å; E278-F358 HydrophobicContact CB-CE1 4.27Å; E278-F358 HydrophobicContact CB-CZ 4.23Å; E278-F358 HydrophobicContact CG-CD1 4.04Å; E278-F358 HydrophobicContact CG-CE1 4.02Å; E278-F358 HydrophobicContact CG-CG 4.44Å; E278-F358 HydrophobicContact CG-CZ 4.41Å; E278-M518 HydrophobicContact CG-CE 4.17Å |
| 279 | V | 95.6 | Very high | 96.3 | Very high | 85 Ų | 85 | 51.3 Ų | 51.3 | 52% | 0.515 | 23% | 0.234 | S | C | . | . | H | α-helix | trans | -60.4 | -42.6 | 178 | 169.6 | 0 | 0 | 0 | 0 | 110.9 | R275 E276 L277 S283 | R275-V279 WeakPolarHBondContact O-CG2 3.38Å; R275-V279 PolarHBondContact O-N 3.42Å; E276-V279 PolarHBondContact O-N 3.27Å; L277-V279 VanDerWaalsContact C-N 3.32Å; L277-V279 PolarHBondContact O-N 3.08Å; V279-S283 PolarHBondContact O-N 3.41Å |
| 280 | F | 95.3 | Very high | 96.3 | Very high | 2 Ų | 2 | 51.2 Ų | 51.2 | 1% | 0.009 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -61.2 | -52.2 | 174.9 | 169.4 | -114.6 | 0 | 0 | 0 | 111.8 | E276 L277 E278 R282 S283 K284 M407 T410 F411 W536 | E276-F280 PolarHBondContact O-N 3.24Å; L277-F280 WeakPolarHBondContact O-CB 3.49Å; L277-F280 PolarHBondContact O-N 2.67Å; E278-F280 VanDerWaalsContact C-N 3.31Å; E278-F280 PolarHBondContact O-N 3.29Å; F280-R282 PolarHBondContact O-N 3.03Å; F280-S283 WeakPolarHBondContact O-CB 3.43Å; F280-S283 PolarHBondContact O-N 3.24Å; F280-S283 VanDerWaalsContact O-N 3.11Å; F280-S283 PolarHBondContact O-OG 3Å; F280-K284 HydrophobicContact CE2-CG 4.04Å; F280-K284 HydrophobicContact CZ-CG 4.16Å; F280-K284 PolarHBondContact O-N 3.29Å; F280-K284 VanDerWaalsContact O-N 3.17Å; F280-M407 HydrophobicContact CE1-CB 4.42Å; F280-M407 HydrophobicContact CE1-CE 4.21Å; F280-M407 HydrophobicContact CE1-CG 4.28Å; F280-M407 HydrophobicContact CZ-CG 4.3Å; F280-T410 HydrophobicContact CE2-CG2 3.96Å; F280-T410 HydrophobicContact CZ-CG2 3.83Å; F280-F411 HydrophobicContact CD1-CE2 4.2Å; F280-F411 AromaticContact CD1-CZ 3.83Å; F280-F411 HydrophobicContact CD1-CZ 3.83Å; F280-F411 AromaticContact CE1-CE2 3.63Å; F280-F411 HydrophobicContact CE1-CE2 3.63Å; F280-F411 AromaticContact CE1-CZ 3.73Å; F280-F411 HydrophobicContact CE1-CZ 3.73Å; F280-F411 HydrophobicContact CZ-CE2 4.49Å; F280-W536 HydrophobicContact CB-CH2 3.97Å; F280-W536 HydrophobicContact CB-CZ3 3.95Å; F280-W536 HydrophobicContact CD1-CH2 4.28Å; F280-W536 HydrophobicContact CG-CH2 4.03Å; F280-W536 HydrophobicContact CG-CZ3 4.45Å |
| 281 | V | 95.6 | Very high | 96.2 | Very high | 0 Ų | 0 | 56.6 Ų | 56.6 | 0% | 0 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -60.1 | -46.4 | 179.9 | 174.5 | 0 | 0 | 0 | 0 | 110 | L277 E278 S283 K284 L285 F358 D382 M407 L515 | L277-V281 VanDerWaalsContact O-CG2 3.24Å; L277-V281 WeakPolarHBondContact O-CG2 3.33Å; L277-V281 PolarHBondContact O-N 3Å; E278-V281 PolarHBondContact O-N 3.46Å; V281-S283 VanDerWaalsContact C-N 3.27Å; V281-S283 PolarHBondContact O-N 3.06Å; V281-K284 CarbonylContact O-C 3.59Å; V281-K284 WeakPolarHBondContact O-CA 3.39Å; V281-K284 PolarHBondContact O-N 2.8Å; V281-L285 HydrophobicContact CG1-CD1 4.05Å; V281-L285 HydrophobicContact CG1-CG 4.1Å; V281-L285 WeakPolarHBondContact O-CG 3.44Å; V281-L285 PolarHBondContact O-N 3.47Å; V281-F358 HydrophobicContact CB-CE1 4.02Å; V281-F358 HydrophobicContact CB-CZ 3.71Å; V281-F358 HydrophobicContact CG1-CE1 3.85Å; V281-F358 HydrophobicContact CG1-CZ 3.54Å; V281-D382 HydrophobicContact CG1-CB 4.07Å; V281-M407 HydrophobicContact CB-CE 4.36Å; V281-M407 HydrophobicContact CG1-CE 4.32Å; V281-M407 HydrophobicContact CG2-CE 3.68Å; V281-L515 HydrophobicContact CG2-CD1 3.48Å; V281-L515 VanDerWaalsContact CG2-CD1 3.48Å; V281-L515 HydrophobicContact CG2-CG 4.31Å |
| 282 | R | 96.1 | Very high | 96.2 | Very high | 86 Ų | 86 | 56.1 Ų | 56.1 | 33% | 0.325 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -56 | -39.7 | 175.2 | -76.3 | -177.7 | 176.8 | 114.4 | 7.3 | 112.7 | E278 F280 K284 L285 K286 E292 F358 | E278-R282 WeakPolarHBondContact O-CB 3.2Å; E278-R282 VanDerWaalsContact O-CG 3.28Å; E278-R282 WeakPolarHBondContact O-CG 3.41Å; E278-R282 PolarHBondContact O-N 3.2Å; E278-R282 IonicContact OE2-CZ 2.73Å; E278-R282 IonicContact OE2-NH1 2.72Å; E278-R282 PolarHBondContact OE2-NH1 3.49Å; E278-R282 IonicContact OE2-NH2 3.71Å; F280-R282 PolarHBondContact O-N 3.03Å; R282-K284 VanDerWaalsContact C-N 3.32Å; R282-K284 PolarHBondContact O-N 3.32Å; R282-L285 PolarHBondContact O-N 3.48Å; R282-K286 PolarHBondContact O-N 2.89Å; R282-E292 WeakPolarHBondContact CD-OE2 3.47Å; R282-E292 IonicContact CZ-OE1 2.9Å; R282-E292 IonicContact CZ-OE2 2.74Å; R282-E292 IonicContact NE-OE1 3.11Å; R282-E292 PolarHBondContact NE-OE1 2.83Å; R282-E292 IonicContact NE-OE2 3.81Å; R282-E292 PolarHBondContact NE-OE2 2.9Å; R282-E292 IonicContact NH2-OE1 2.61Å; R282-E292 PolarHBondContact NH2-OE1 3.33Å; R282-F358 HydrophobicContact CG-CE2 3.5Å; R282-F358 HydrophobicContact CG-CZ 3.98Å |
| 283 | S | 95.2 | Very high | 96.1 | Very high | 49 Ų | 49 | 57.3 Ų | 57.3 | 34% | 0.343 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -62.9 | -40.1 | 176.8 | 75.2 | 0 | 0 | 0 | 0 | 112 | V279 F280 V281 E287 | V279-S283 PolarHBondContact O-N 3.41Å; F280-S283 WeakPolarHBondContact O-CB 3.43Å; F280-S283 PolarHBondContact O-N 3.24Å; F280-S283 VanDerWaalsContact O-N 3.11Å; F280-S283 PolarHBondContact O-OG 3Å; V281-S283 VanDerWaalsContact C-N 3.27Å; V281-S283 PolarHBondContact O-N 3.06Å; S283-E287 PolarHBondContact O-N 3.15Å; S283-E287 VanDerWaalsContact O-N 3.15Å |
| 284 | K | 94.9 | Very high | 96 | Very high | 22 Ų | 22 | 63.5 Ų | 63.5 | 10% | 0.096 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -71.6 | -39.8 | 174.7 | -69.2 | -62.7 | -173.5 | 176.3 | 0 | 112.6 | F280 V281 R282 K286 E287 Y288 L403 D406 M407 | F280-K284 HydrophobicContact CE2-CG 4.04Å; F280-K284 HydrophobicContact CZ-CG 4.16Å; F280-K284 PolarHBondContact O-N 3.29Å; F280-K284 VanDerWaalsContact O-N 3.17Å; V281-K284 CarbonylContact O-C 3.59Å; V281-K284 WeakPolarHBondContact O-CA 3.39Å; V281-K284 PolarHBondContact O-N 2.8Å; R282-K284 VanDerWaalsContact C-N 3.32Å; R282-K284 PolarHBondContact O-N 3.32Å; K284-K286 VanDerWaalsContact C-N 3.27Å; K284-K286 PolarHBondContact O-N 3.44Å; K284-E287 VanDerWaalsContact CD-OE2 3.3Å; K284-E287 WeakPolarHBondContact CD-OE2 3.38Å; K284-E287 IonicContact NZ-OE1 2.72Å; K284-E287 IonicContact NZ-OE2 2.7Å; K284-E287 PolarHBondContact NZ-OE2 3.35Å; K284-E287 WeakPolarHBondContact O-CB 3.29Å; K284-E287 PolarHBondContact O-N 2.92Å; K284-E287 VanDerWaalsContact O-N 3.16Å; K284-Y288 VanDerWaalsContact O-CD2 3.29Å; K284-Y288 WeakPolarHBondContact O-CD2 3.35Å; K284-Y288 PolarHBondContact O-N 3.39Å; K284-L403 HydrophobicContact CB-CD1 3.99Å; K284-D406 WeakPolarHBondContact CE-OD2 3.3Å; K284-D406 IonicContact NZ-OD1 3.09Å; K284-D406 PolarHBondContact NZ-OD1 2.96Å; K284-D406 IonicContact NZ-OD2 3.15Å; K284-D406 PolarHBondContact NZ-OD2 2.8Å; K284-M407 HydrophobicContact CB-CG 4.45Å; K284-M407 HydrophobicContact CB-SD 4.34Å; K284-M407 HydrophobicContact CG-CG 4.11Å |
| 285 | L | 95.6 | Very high | 95.9 | Very high | 12 Ų | 12 | 63.5 Ų | 63.5 | 6% | 0.063 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -57.8 | -41.1 | 173.8 | -69.5 | -179.8 | 0 | 0 | 0 | 111.7 | V281 R282 Y288 Q289 Y290 A356 F358 | V281-L285 HydrophobicContact CG1-CD1 4.05Å; V281-L285 HydrophobicContact CG1-CG 4.1Å; V281-L285 WeakPolarHBondContact O-CG 3.44Å; V281-L285 PolarHBondContact O-N 3.47Å; R282-L285 PolarHBondContact O-N 3.48Å; L285-Y288 CarbonylContact O-C 3.51Å; L285-Y288 PolarHBondContact O-N 3.26Å; L285-Q289 PolarHBondContact O-N 2.86Å; L285-Q289 VanDerWaalsContact O-N 3.1Å; L285-Y290 HydrophobicContact CD2-CD1 4.28Å; L285-Y290 HydrophobicContact CD2-CD2 4.14Å; L285-Y290 HydrophobicContact CD2-CG 3.89Å; L285-Y290 PolarHBondContact O-N 2.98Å; L285-A356 HydrophobicContact CD1-CB 3.74Å; L285-A356 HydrophobicContact CD2-CB 4.11Å; L285-F358 HydrophobicContact CD1-CE2 4.41Å |
| 286 | K | 95.2 | Very high | 95.8 | Very high | 177 Ų | 177 | 62.1 Ų | 62.1 | 77% | 0.77 | 30% | 0.3 | S | S | * | . | H | α-helix | trans | -65.6 | -43.5 | 175.1 | -172.8 | 179.6 | -179.8 | -178.9 | 0 | 112.4 | R282 K284 Y288 Q289 | R282-K286 PolarHBondContact O-N 2.89Å; K284-K286 VanDerWaalsContact C-N 3.27Å; K284-K286 PolarHBondContact O-N 3.44Å; K286-Y288 VanDerWaalsContact C-N 3.3Å; K286-Y288 PolarHBondContact O-N 3.07Å; K286-Q289 PolarHBondContact O-N 3.4Å |
| 287 | E | 94.9 | Very high | 95.6 | Very high | 121 Ų | 121 | 63.5 Ų | 63.5 | 57% | 0.565 | 31% | 0.306 | S | S | * | . | H | α-helix | trans | -58.6 | -41.6 | 176.8 | -177.5 | 179.9 | 177.2 | 0 | 0 | 111.5 | S283 K284 Q289 | S283-E287 PolarHBondContact O-N 3.15Å; S283-E287 VanDerWaalsContact O-N 3.15Å; K284-E287 VanDerWaalsContact CD-OE2 3.3Å; K284-E287 WeakPolarHBondContact CD-OE2 3.38Å; K284-E287 IonicContact NZ-OE1 2.72Å; K284-E287 IonicContact NZ-OE2 2.7Å; K284-E287 PolarHBondContact NZ-OE2 3.35Å; K284-E287 WeakPolarHBondContact O-CB 3.29Å; K284-E287 PolarHBondContact O-N 2.92Å; K284-E287 VanDerWaalsContact O-N 3.16Å; E287-Q289 VanDerWaalsContact C-N 3.32Å; E287-Q289 PolarHBondContact O-N 3.28Å |
| 288 | Y | 95.3 | Very high | 95.5 | Very high | 52 Ų | 52 | 67.3 Ų | 67.3 | 20% | 0.204 | 32% | 0.324 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -92 | 16.4 | 178.9 | -70.6 | -109 | 0 | 0 | 0 | 113.5 | K284 L285 K286 Y290 R402 L403 D406 | K284-Y288 VanDerWaalsContact O-CD2 3.29Å; K284-Y288 WeakPolarHBondContact O-CD2 3.35Å; K284-Y288 PolarHBondContact O-N 3.39Å; L285-Y288 CarbonylContact O-C 3.51Å; L285-Y288 PolarHBondContact O-N 3.26Å; K286-Y288 VanDerWaalsContact C-N 3.3Å; K286-Y288 PolarHBondContact O-N 3.07Å; Y288-Y290 WeakPolarHBondContact O-CD2 3.28Å; Y288-Y290 PolarHBondContact O-N 3.5Å; Y288-R402 HydrophobicContact CE1-CB 4.45Å; Y288-L403 HydrophobicContact CD1-CB 3.98Å; Y288-L403 HydrophobicContact CD1-CD1 4.39Å; Y288-L403 HydrophobicContact CD2-CD1 3.66Å; Y288-L403 HydrophobicContact CE1-CB 3.7Å; Y288-L403 HydrophobicContact CE1-CD1 4.31Å; Y288-L403 HydrophobicContact CE2-CB 4.47Å; Y288-L403 HydrophobicContact CE2-CD1 3.56Å; Y288-L403 HydrophobicContact CG-CB 4.48Å; Y288-L403 HydrophobicContact CG-CD1 4.08Å; Y288-L403 HydrophobicContact CG-CD2 4.49Å; Y288-D406 PolarHBondContact OH-OD2 3.02Å |
| 289 | Q | 95.8 | Very high | 95.4 | Very high | 144 Ų | 144 | 66.7 Ų | 66.7 | 67% | 0.673 | 32% | 0.322 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 58.3 | 39.6 | 172 | -53.9 | 176.8 | -5.4 | 0 | 0 | 115.4 | L285 K286 E287 | L285-Q289 PolarHBondContact O-N 2.86Å; L285-Q289 VanDerWaalsContact O-N 3.1Å; K286-Q289 PolarHBondContact O-N 3.4Å; E287-Q289 VanDerWaalsContact C-N 3.32Å; E287-Q289 PolarHBondContact O-N 3.28Å |
| 290 | Y | 97.2 | Very high | 95.4 | Very high | 21 Ų | 21 | 64.5 Ų | 64.5 | 8% | 0.082 | 31% | 0.307 | C | S | . | . | P | Polyproline II helix | trans | -85.7 | 143.7 | 169.7 | -74.2 | -106.4 | 0 | 0 | 0 | 111.3 | L285 Y288 R354 A356 A384 I386 L403 R512 | L285-Y290 HydrophobicContact CD2-CD1 4.28Å; L285-Y290 HydrophobicContact CD2-CD2 4.14Å; L285-Y290 HydrophobicContact CD2-CG 3.89Å; L285-Y290 PolarHBondContact O-N 2.98Å; Y288-Y290 WeakPolarHBondContact O-CD2 3.28Å; Y288-Y290 PolarHBondContact O-N 3.5Å; Y290-R354 HydrophobicContact CD1-CB 3.6Å; Y290-R354 HydrophobicContact CD2-CB 4.4Å; Y290-R354 HydrophobicContact CE1-CB 3.84Å; Y290-R354 HydrophobicContact CE1-CG 4.47Å; Y290-R354 HydrophobicContact CG-CB 3.9Å; Y290-A356 HydrophobicContact CD1-CB 4.1Å; Y290-A384 HydrophobicContact CD1-CB 3.9Å; Y290-A384 HydrophobicContact CE1-CB 3.69Å; Y290-I386 HydrophobicContact CE1-CD1 4.23Å; Y290-I386 HydrophobicContact CE1-CG1 4.01Å; Y290-I386 WeakPolarHBondContact OH-CD1 3.17Å; Y290-L403 HydrophobicContact CE2-CD2 4.36Å; Y290-R512 VanDerWaalsContact CE1-NH2 3.3Å; Y290-R512 VanDerWaalsContact CE2-NH2 3.3Å; Y290-R512 PolarHBondContact OH-NE 3.27Å; Y290-R512 VanDerWaalsContact OH-NE 3.13Å; Y290-R512 PolarHBondContact OH-NH2 2.96Å |
| 291 | Q | 96.6 | Very high | 95.3 | Very high | 112 Ų | 112 | 67.9 Ų | 67.9 | 52% | 0.523 | 32% | 0.32 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.3 | 116.6 | 173.1 | -58.1 | -177.6 | 29.2 | 0 | 0 | 109.4 | V293 R354 M355 A356 | Q291-V293 PolarHBondContact O-N 3.1Å; Q291-R354 PolarHBondContact N-O 2.7Å; Q291-M355 CarbonylContact O-C 3.56Å; Q291-M355 WeakPolarHBondContact O-CA 3.15Å; Q291-A356 PolarHBondContact O-N 3.47Å |
| 292 | E | 96.8 | Very high | 95.3 | Very high | 96 Ų | 96 | 71.2 Ų | 71.2 | 45% | 0.449 | 34% | 0.34 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.8 | 123.3 | 176.1 | -169.1 | 177.1 | 172.3 | 0 | 0 | 110 | R282 A356 F358 | R282-E292 WeakPolarHBondContact CD-OE2 3.47Å; R282-E292 IonicContact CZ-OE1 2.9Å; R282-E292 IonicContact CZ-OE2 2.74Å; R282-E292 IonicContact NE-OE1 3.11Å; R282-E292 PolarHBondContact NE-OE1 2.83Å; R282-E292 IonicContact NE-OE2 3.81Å; R282-E292 PolarHBondContact NE-OE2 2.9Å; R282-E292 IonicContact NH2-OE1 2.61Å; R282-E292 PolarHBondContact NH2-OE1 3.33Å; E292-A356 CarbonylContact C-O 3.5Å; E292-A356 VanDerWaalsContact CA-O 3.26Å; E292-A356 WeakPolarHBondContact CA-O 3.4Å; E292-F358 WeakPolarHBondContact OE1-CD2 3.26Å |
| 293 | V | 97 | Very high | 95.2 | Very high | 31 Ų | 31 | 68.4 Ų | 68.4 | 19% | 0.188 | 33% | 0.331 | C | S | . | . | trans | -124.2 | 171.3 | -179.3 | -60.3 | 0 | 0 | 0 | 0 | 110.8 | Q291 I340 M355 A356 E357 | Q291-V293 PolarHBondContact O-N 3.1Å; V293-I340 HydrophobicContact CB-CD1 3.98Å; V293-I340 HydrophobicContact CG2-CD1 3.96Å; V293-M355 HydrophobicContact CG1-CB 4.49Å; V293-M355 HydrophobicContact CG1-CG 4.16Å; V293-M355 HydrophobicContact CG1-SD 4.13Å; V293-M355 HydrophobicContact CG2-CB 4.07Å; V293-M355 HydrophobicContact CG2-SD 4.46Å; V293-A356 PolarHBondContact N-O 3.46Å; V293-E357 WeakPolarHBondContact O-CB 3.35Å; V293-E357 VanDerWaalsContact O-CG 3.28Å; V293-E357 WeakPolarHBondContact O-CG 3.36Å | ||
| 294 | K | 95.8 | Very high | 95.1 | Very high | 130 Ų | 130 | 66.1 Ų | 66.1 | 57% | 0.565 | 32% | 0.315 | S | S | * | . | trans | -136.3 | 109.5 | 176.2 | -176.4 | 69.3 | -164 | 156.7 | 0 | 111.9 | E357 | K294-E357 HydrophobicContact CD-CG 4.36Å; K294-E357 WeakPolarHBondContact CD-OE1 3.26Å; K294-E357 WeakPolarHBondContact CE-OE1 3.3Å; K294-E357 IonicContact NZ-OE1 3.69Å; K294-E357 PolarHBondContact NZ-OE1 3.11Å | ||
| 295 | G | 94.5 | Very high | 95 | Very high | 2 Ų | 2 | 68.3 Ų | 68.3 | 2% | 0.021 | 33% | 0.326 | C | S | . | . | trans | -81.2 | 152.7 | 169.1 | 0 | 0 | 0 | 0 | 0 | 112.9 | K330 E357 | G295-K330 PolarHBondContact O-NZ 3.41Å; G295-E357 PolarHBondContact N-OE2 3.15Å | ||
| 296 | P | 95.2 | Very high | 94.9 | Very high | 85 Ų | 85 | 73.6 Ų | 73.6 | 55% | 0.552 | 35% | 0.348 | S | S | * | . | trans | -55 | 149.3 | 173.3 | -24.9 | 34.4 | 0 | 0 | 0 | 112.9 | M299 K330 | P296-M299 HydrophobicContact CB-CG 4.41Å; P296-K330 WeakPolarHBondContact O-CD 3.11Å | ||
| 297 | F | 92.4 | Very high | 94.7 | Very high | 78 Ų | 78 | 65.2 Ų | 65.2 | 34% | 0.342 | 31% | 0.312 | S | S | . | . | S | Bend | trans | -75.6 | -33 | 178.2 | 178.3 | -103.3 | 0 | 0 | 0 | 113.1 | I329 K330 H362 | F297-I329 HydrophobicContact CD1-CG2 4.13Å; F297-I329 HydrophobicContact CD2-CG2 4.46Å; F297-I329 HydrophobicContact CE1-CB 4.25Å; F297-I329 HydrophobicContact CE1-CD1 4.07Å; F297-I329 HydrophobicContact CE1-CG1 3.95Å; F297-I329 HydrophobicContact CE1-CG2 3.41Å; F297-I329 VanDerWaalsContact CE1-CG2 3.41Å; F297-I329 HydrophobicContact CE2-CG2 3.81Å; F297-I329 HydrophobicContact CZ-CB 4.46Å; F297-I329 HydrophobicContact CZ-CD1 4.43Å; F297-I329 HydrophobicContact CZ-CG2 3.23Å; F297-K330 WeakPolarHBondContact O-CG 3.35Å; F297-K330 PolarHBondContact O-N 3.26Å; F297-H362 AromaticContact CE2-CE1 3.33Å; F297-H362 WeakPolarHBondContact CE2-CE1 3.42Å; F297-H362 AromaticContact CE2-ND1 3.28Å; F297-H362 VanDerWaalsContact CE2-ND1 3.28Å; F297-H362 WeakPolarHBondContact CE2-ND1 3.4Å; F297-H362 AromaticContact CZ-CE1 3.33Å; F297-H362 WeakPolarHBondContact CZ-CE1 3.42Å; F297-H362 AromaticContact CZ-ND1 3.33Å; F297-H362 VanDerWaalsContact CZ-ND1 3.33Å; F297-H362 WeakPolarHBondContact CZ-ND1 3.27Å |
| 298 | M | 94 | Very high | 94.2 | Very high | 80 Ų | 80 | 59.5 Ų | 59.5 | 39% | 0.394 | 29% | 0.285 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.1 | 132.6 | -176.5 | -173.8 | 179.2 | -61.5 | 0 | 0 | 108.5 | T320 Y327 C328 I329 | M298-T320 HydrophobicContact CE-CG2 3.75Å; M298-T320 HydrophobicContact SD-CG2 3.67Å; M298-Y327 HydrophobicContact CG-CD1 4.23Å; M298-Y327 HydrophobicContact CG-CG 4.18Å; M298-Y327 VanDerWaalsContact SD-CB 3.59Å; M298-Y327 HydrophobicContact SD-CD1 4.45Å; M298-Y327 HydrophobicContact SD-CG 4.03Å; M298-C328 WeakPolarHBondContact CA-O 3.38Å; M298-I329 HydrophobicContact CE-CG1 4.22Å |
| 299 | M | 94.7 | Very high | 93.8 | Very high | 16 Ų | 16 | 57.1 Ų | 57.1 | 8% | 0.079 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.3 | 146.4 | -176.4 | -71.6 | 179.2 | -88.8 | 0 | 0 | 109.8 | P296 L303 W304 C328 K330 | P296-M299 HydrophobicContact CB-CG 4.41Å; M299-L303 HydrophobicContact CB-CD2 4.12Å; M299-L303 HydrophobicContact CG-CD2 4.21Å; M299-L303 HydrophobicContact SD-CD2 3.5Å; M299-L303 WeakPolarHBondContact SD-CD2 3.36Å; M299-W304 HydrophobicContact CB-CZ2 4.34Å; M299-W304 HydrophobicContact CE-CH2 4.03Å; M299-W304 HydrophobicContact CE-CZ2 3.68Å; M299-C328 PolarHBondContact N-O 2.98Å; M299-C328 PolarHBondContact O-N 3.41Å; M299-K330 HydrophobicContact CE-CB 3.64Å; M299-K330 HydrophobicContact CE-CD 3.97Å; M299-K330 HydrophobicContact CE-CG 4.43Å |
| 300 | D | 95.1 | Very high | 93.5 | Very high | 38 Ų | 38 | 51.8 Ų | 51.8 | 20% | 0.203 | 25% | 0.25 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -58 | 137.9 | 178.3 | -166.9 | -48.7 | 0 | 0 | 0 | 110.7 | V302 L303 R325 Y327 | D300-V302 PolarHBondContact O-N 3.37Å; D300-V302 VanDerWaalsContact O-N 3.09Å; D300-V302 WeakPolarHBondContact OD1-CG2 3.44Å; D300-V302 PolarHBondContact OD1-N 2.93Å; D300-L303 WeakPolarHBondContact O-CB 3.4Å; D300-L303 PolarHBondContact O-N 3.39Å; D300-R325 WeakPolarHBondContact OD2-CD 3.34Å; D300-R325 IonicContact OD2-CZ 2.8Å; D300-R325 IonicContact OD2-NE 3.05Å; D300-R325 IonicContact OD2-NH1 3.82Å; D300-R325 PolarHBondContact OD2-NH1 3.09Å; D300-Y327 HydrophobicContact CB-CD1 4.5Å; D300-Y327 HydrophobicContact CB-CE1 4.47Å |
| 301 | R | 94.1 | Very high | 92.9 | Very high | 74 Ų | 74 | 56.1 Ų | 56.1 | 28% | 0.279 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -48.5 | -36.8 | 177.6 | 174.1 | 178.9 | 158.7 | 179.6 | -4.8 | 112.4 | L303 W304 E305 W310 E326 | R301-L303 PolarHBondContact O-N 3.1Å; R301-L303 VanDerWaalsContact O-N 3.16Å; R301-W304 WeakPolarHBondContact O-CB 3.36Å; R301-W304 PolarHBondContact O-N 3.43Å; R301-E305 HydrophobicContact CG-CG 4.25Å; R301-E305 IonicContact CZ-OE1 3.52Å; R301-E305 IonicContact NE-OE1 2.72Å; R301-E305 PolarHBondContact NE-OE1 2.87Å; R301-E305 IonicContact NH2-OE1 3.55Å; R301-E305 PolarHBondContact NH2-OE1 3.3Å; R301-E305 PolarHBondContact O-N 2.88Å; R301-W310 HydrophobicContact CG-CD2 4.12Å; R301-W310 HydrophobicContact CG-CE3 3.95Å; R301-W310 HydrophobicContact CG-CH2 4.08Å; R301-W310 HydrophobicContact CG-CZ2 4.24Å; R301-W310 HydrophobicContact CG-CZ3 3.94Å; R301-W310 VanDerWaalsContact CZ-CZ2 3.42Å; R301-W310 VanDerWaalsContact NE-CE2 3.33Å; R301-W310 VanDerWaalsContact NE-CZ2 3.3Å; R301-E326 HydrophobicContact CB-CB 4.08Å; R301-E326 WeakPolarHBondContact CB-O 3.28Å; R301-E326 WeakPolarHBondContact CD-OE2 3.37Å; R301-E326 IonicContact CZ-OE2 3.29Å; R301-E326 PolarHBondContact N-O 3.19Å; R301-E326 IonicContact NE-OE2 3Å; R301-E326 IonicContact NH1-OE2 2.7Å; R301-E326 PolarHBondContact NH1-OE2 2.55Å |
| 302 | V | 94.5 | Very high | 92.2 | Very high | 69 Ų | 69 | 55.2 Ų | 55.2 | 42% | 0.418 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -55.8 | -34.1 | -179.9 | 174.4 | 0 | 0 | 0 | 0 | 112.1 | D300 K306 | D300-V302 PolarHBondContact O-N 3.37Å; D300-V302 VanDerWaalsContact O-N 3.09Å; D300-V302 WeakPolarHBondContact OD1-CG2 3.44Å; D300-V302 PolarHBondContact OD1-N 2.93Å; V302-K306 WeakPolarHBondContact O-CG 3.29Å; V302-K306 PolarHBondContact O-N 2.86Å; V302-K306 VanDerWaalsContact O-N 3.16Å |
| 303 | L | 94.7 | Very high | 91.5 | Very high | 28 Ų | 28 | 54.7 Ų | 54.7 | 15% | 0.147 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -66.4 | -43 | 177 | -176.1 | 62 | 0 | 0 | 0 | 111 | M299 D300 R301 K306 T307 P335 Q339 L493 | M299-L303 HydrophobicContact CB-CD2 4.12Å; M299-L303 HydrophobicContact CG-CD2 4.21Å; M299-L303 HydrophobicContact SD-CD2 3.5Å; M299-L303 WeakPolarHBondContact SD-CD2 3.36Å; D300-L303 WeakPolarHBondContact O-CB 3.4Å; D300-L303 PolarHBondContact O-N 3.39Å; R301-L303 PolarHBondContact O-N 3.1Å; R301-L303 VanDerWaalsContact O-N 3.16Å; L303-K306 PolarHBondContact O-N 3.26Å; L303-T307 WeakPolarHBondContact O-CG2 3.42Å; L303-T307 PolarHBondContact O-N 3.15Å; L303-T307 VanDerWaalsContact O-N 3.11Å; L303-P335 HydrophobicContact CD1-CB 4.5Å; L303-P335 HydrophobicContact CD2-CB 3.89Å; L303-P335 HydrophobicContact CG-CB 4.07Å; L303-Q339 HydrophobicContact CD1-CG 4.44Å; L303-Q339 HydrophobicContact CD2-CG 4.47Å; L303-L493 HydrophobicContact CD1-CD1 4.45Å; L303-L493 HydrophobicContact CD1-CD2 3.69Å |
| 304 | W | 93.4 | Very high | 91.1 | Very high | 0 Ų | 0 | 57.9 Ų | 57.9 | 0% | 0 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -68.1 | -35.5 | -179.4 | -59.1 | 102.1 | 0 | 0 | 0 | 112.5 | M299 R301 T307 G308 H309 W310 M317 C328 K330 P331 M332 P335 | M299-W304 HydrophobicContact CB-CZ2 4.34Å; M299-W304 HydrophobicContact CE-CH2 4.03Å; M299-W304 HydrophobicContact CE-CZ2 3.68Å; R301-W304 WeakPolarHBondContact O-CB 3.36Å; R301-W304 PolarHBondContact O-N 3.43Å; W304-T307 PolarHBondContact O-N 3.05Å; W304-T307 PolarHBondContact O-OG1 2.82Å; W304-G308 PolarHBondContact O-N 2.87Å; W304-H309 HydrophobicContact CE3-CB 4.17Å; W304-H309 PolarHBondContact O-N 3.45Å; W304-W310 HydrophobicContact CB-CB 4.37Å; W304-W310 HydrophobicContact CB-CE3 4.49Å; W304-W310 PolarHBondContact O-N 2.85Å; W304-W310 VanDerWaalsContact O-N 3.17Å; W304-M317 HydrophobicContact CD2-SD 4.29Å; W304-M317 HydrophobicContact CE3-SD 4.36Å; W304-C328 VanDerWaalsContact CD1-SG 3.58Å; W304-C328 HydrophobicContact CG-CB 4.48Å; W304-K330 HydrophobicContact CH2-CB 3.9Å; W304-K330 HydrophobicContact CZ2-CB 3.77Å; W304-P331 VanDerWaalsContact CH2-CD 3.49Å; W304-P331 HydrophobicContact CH2-CG 4.2Å; W304-P331 HydrophobicContact CZ3-CG 4.04Å; W304-M332 HydrophobicContact CH2-CG 4.31Å; W304-M332 HydrophobicContact CZ3-CG 3.94Å; W304-P335 HydrophobicContact CE3-CG 4.2Å; W304-P335 HydrophobicContact CH2-CG 3.94Å; W304-P335 HydrophobicContact CZ3-CG 3.6Å |
| 305 | E | 93.1 | Very high | 90.6 | Very high | 69 Ų | 69 | 58.1 Ų | 58.1 | 32% | 0.322 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -61.3 | -48 | 171.3 | -69.7 | 177.7 | 159.2 | 0 | 0 | 111.1 | R301 T307 G308 W310 | R301-E305 HydrophobicContact CG-CG 4.25Å; R301-E305 IonicContact CZ-OE1 3.52Å; R301-E305 IonicContact NE-OE1 2.72Å; R301-E305 PolarHBondContact NE-OE1 2.87Å; R301-E305 IonicContact NH2-OE1 3.55Å; R301-E305 PolarHBondContact NH2-OE1 3.3Å; R301-E305 PolarHBondContact O-N 2.88Å; E305-T307 VanDerWaalsContact C-N 3.25Å; E305-T307 PolarHBondContact O-N 3.21Å; E305-G308 PolarHBondContact O-N 2.95Å; E305-W310 HydrophobicContact CB-CB 4.39Å; E305-W310 HydrophobicContact CG-CB 3.79Å; E305-W310 HydrophobicContact CG-CD2 4.42Å; E305-W310 HydrophobicContact CG-CG 3.73Å |
| 306 | K | 92.7 | Very high | 90.4 | Very high | 122 Ų | 122 | 59.7 Ų | 59.7 | 53% | 0.53 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -58.5 | -37.6 | 177.4 | -73 | 177.6 | 179.9 | -175.5 | 0 | 112.6 | V302 L303 G308 R492 L493 | V302-K306 WeakPolarHBondContact O-CG 3.29Å; V302-K306 PolarHBondContact O-N 2.86Å; V302-K306 VanDerWaalsContact O-N 3.16Å; L303-K306 PolarHBondContact O-N 3.26Å; K306-G308 VanDerWaalsContact C-N 3.29Å; K306-G308 PolarHBondContact O-N 2.95Å; K306-R492 VanDerWaalsContact O-CZ 3.31Å; K306-R492 PolarHBondContact O-NE 2.6Å; K306-R492 PolarHBondContact O-NH2 3.32Å; K306-L493 HydrophobicContact CB-CD2 3.95Å |
| 307 | T | 90.4 | Very high | 90.3 | Very high | 2 Ų | 2 | 56 Ų | 56 | 1% | 0.012 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -73.1 | -17.7 | 178.4 | 71.8 | 0 | 0 | 0 | 0 | 114.1 | L303 W304 E305 H309 P335 L489 L493 | L303-T307 WeakPolarHBondContact O-CG2 3.42Å; L303-T307 PolarHBondContact O-N 3.15Å; L303-T307 VanDerWaalsContact O-N 3.11Å; W304-T307 PolarHBondContact O-N 3.05Å; W304-T307 PolarHBondContact O-OG1 2.82Å; E305-T307 VanDerWaalsContact C-N 3.25Å; E305-T307 PolarHBondContact O-N 3.21Å; T307-H309 VanDerWaalsContact C-N 3.26Å; T307-H309 VanDerWaalsContact CB-ND1 3.29Å; T307-H309 WeakPolarHBondContact CB-ND1 3.32Å; T307-H309 PolarHBondContact O-N 2.9Å; T307-H309 WeakPolarHBondContact OG1-CB 3.49Å; T307-H309 PolarHBondContact OG1-N 3.4Å; T307-H309 VanDerWaalsContact OG1-N 3.17Å; T307-H309 PolarHBondContact OG1-ND1 3.48Å; T307-P335 HydrophobicContact CG2-CB 3.9Å; T307-P335 HydrophobicContact CG2-CG 3.89Å; T307-L489 HydrophobicContact CG2-CD1 3.66Å; T307-L493 HydrophobicContact CG2-CD1 3.87Å; T307-L493 HydrophobicContact CG2-CD2 4.1Å; T307-L493 HydrophobicContact CG2-CG 4.21Å |
| 308 | G | 85.3 | Confident | 90.4 | Very high | 1 Ų | 1 | 54.5 Ų | 54.5 | 1% | 0.01 | 27% | 0.268 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 80.3 | -3.8 | -169.8 | 0 | 0 | 0 | 0 | 0 | 115.2 | W304 E305 K306 W310 N312 R492 | W304-G308 PolarHBondContact O-N 2.87Å; E305-G308 PolarHBondContact O-N 2.95Å; K306-G308 VanDerWaalsContact C-N 3.29Å; K306-G308 PolarHBondContact O-N 2.95Å; G308-W310 VanDerWaalsContact C-N 3.27Å; G308-W310 PolarHBondContact O-N 2.87Å; G308-N312 PolarHBondContact O-ND2 2.92Å; G308-R492 VanDerWaalsContact CA-NH1 3.26Å |
| 309 | H | 87 | Confident | 90.4 | Very high | 2 Ų | 2 | 54.7 Ų | 54.7 | 1% | 0.009 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -70.8 | -24.3 | 176.1 | -68.4 | 89 | 0 | 0 | 0 | 112.2 | W304 T307 D311 N312 Y313 M332 F461 Y462 | W304-H309 HydrophobicContact CE3-CB 4.17Å; W304-H309 PolarHBondContact O-N 3.45Å; T307-H309 VanDerWaalsContact C-N 3.26Å; T307-H309 VanDerWaalsContact CB-ND1 3.29Å; T307-H309 WeakPolarHBondContact CB-ND1 3.32Å; T307-H309 PolarHBondContact O-N 2.9Å; T307-H309 WeakPolarHBondContact OG1-CB 3.49Å; T307-H309 PolarHBondContact OG1-N 3.4Å; T307-H309 VanDerWaalsContact OG1-N 3.17Å; T307-H309 PolarHBondContact OG1-ND1 3.48Å; H309-D311 PolarHBondContact O-N 2.84Å; H309-N312 PolarHBondContact O-N 2.96Å; H309-Y313 AromaticContact CD2-CD2 3.97Å; H309-Y313 WeakPolarHBondContact O-CA 3.38Å; H309-Y313 VanDerWaalsContact O-CB 3.25Å; H309-Y313 WeakPolarHBondContact O-CB 3.27Å; H309-Y313 PolarHBondContact O-N 2.79Å; H309-M332 WeakPolarHBondContact CD2-CE 3.43Å; H309-M332 PolarHBondContact CD2-SD 3.38Å; H309-M332 PolarHBondContact NE2-SD 3Å; H309-F461 AromaticContact NE2-CE1 3.99Å; H309-F461 AromaticContact NE2-CZ 3.76Å; H309-Y462 AromaticContact NE2-CE1 3.89Å |
| 310 | W | 88.9 | Confident | 90.3 | Very high | 31 Ų | 31 | 57.1 Ų | 57.1 | 12% | 0.117 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -59.5 | -47.6 | 174.9 | -173.5 | -105.3 | 0 | 0 | 0 | 111.9 | R301 W304 E305 G308 N312 K314 M317 T319 | R301-W310 HydrophobicContact CG-CD2 4.12Å; R301-W310 HydrophobicContact CG-CE3 3.95Å; R301-W310 HydrophobicContact CG-CH2 4.08Å; R301-W310 HydrophobicContact CG-CZ2 4.24Å; R301-W310 HydrophobicContact CG-CZ3 3.94Å; R301-W310 VanDerWaalsContact CZ-CZ2 3.42Å; R301-W310 VanDerWaalsContact NE-CE2 3.33Å; R301-W310 VanDerWaalsContact NE-CZ2 3.3Å; W304-W310 HydrophobicContact CB-CB 4.37Å; W304-W310 HydrophobicContact CB-CE3 4.49Å; W304-W310 PolarHBondContact O-N 2.85Å; W304-W310 VanDerWaalsContact O-N 3.17Å; E305-W310 HydrophobicContact CB-CB 4.39Å; E305-W310 HydrophobicContact CG-CB 3.79Å; E305-W310 HydrophobicContact CG-CD2 4.42Å; E305-W310 HydrophobicContact CG-CG 3.73Å; G308-W310 VanDerWaalsContact C-N 3.27Å; G308-W310 PolarHBondContact O-N 2.87Å; W310-N312 VanDerWaalsContact C-N 3.3Å; W310-N312 PolarHBondContact O-N 3.43Å; W310-K314 HydrophobicContact CD2-CB 4.29Å; W310-K314 HydrophobicContact CE3-CB 4.33Å; W310-K314 HydrophobicContact CZ3-CB 4.48Å; W310-K314 WeakPolarHBondContact O-CB 3.43Å; W310-K314 WeakPolarHBondContact O-CG 3.47Å; W310-K314 PolarHBondContact O-N 3.3Å; W310-M317 HydrophobicContact CE3-CE 3.71Å; W310-M317 HydrophobicContact CZ3-CE 4.21Å; W310-T319 HydrophobicContact CH2-CG2 4.04Å; W310-T319 HydrophobicContact CZ3-CG2 4.03Å |
| 311 | D | 85.7 | Confident | 90.2 | Very high | 113 Ų | 113 | 59.7 Ų | 59.7 | 60% | 0.604 | 31% | 0.311 | S | S | * | . | H | α-helix | trans | -67.6 | -32.3 | -176.7 | -57.2 | -44.2 | 0 | 0 | 0 | 112.7 | H309 | H309-D311 PolarHBondContact O-N 2.84Å |
| 312 | N | 80.6 | Confident | 90.1 | Very high | 93 Ų | 93 | 59.3 Ų | 59.3 | 50% | 0.497 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -101.3 | -24.2 | -172.4 | -65.2 | -41.1 | 0 | 0 | 0 | 114.7 | G308 H309 W310 | G308-N312 PolarHBondContact O-ND2 2.92Å; H309-N312 PolarHBondContact O-N 2.96Å; W310-N312 VanDerWaalsContact C-N 3.3Å; W310-N312 PolarHBondContact O-N 3.43Å |
| 313 | Y | 82.9 | Confident | 89.9 | Confident | 85 Ų | 85 | 64.6 Ų | 64.6 | 33% | 0.333 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -125.6 | -0.2 | -170.4 | -83.4 | -98 | 0 | 0 | 0 | 114.7 | H309 D315 A316 M317 F461 | H309-Y313 AromaticContact CD2-CD2 3.97Å; H309-Y313 WeakPolarHBondContact O-CA 3.38Å; H309-Y313 VanDerWaalsContact O-CB 3.25Å; H309-Y313 WeakPolarHBondContact O-CB 3.27Å; H309-Y313 PolarHBondContact O-N 2.79Å; Y313-D315 VanDerWaalsContact C-N 3.26Å; Y313-D315 PolarHBondContact O-N 2.8Å; Y313-D315 VanDerWaalsContact O-N 3.15Å; Y313-A316 CarbonylContact O-C 3.42Å; Y313-A316 PolarHBondContact O-N 2.83Å; Y313-M317 WeakPolarHBondContact O-CG 3.41Å; Y313-M317 PolarHBondContact O-N 3.1Å; Y313-F461 HydrophobicContact CD2-CE1 4.48Å; Y313-F461 HydrophobicContact CE2-CE1 4.03Å |
| 314 | K | 87.5 | Confident | 89.6 | Confident | 97 Ų | 97 | 71.4 Ų | 71.4 | 42% | 0.422 | 38% | 0.376 | S | S | . | . | G | 310 helix | trans | -51.6 | -40.6 | -176.3 | 60.2 | 179.9 | -170.6 | -177.3 | 0 | 114.5 | W310 A316 M317 | W310-K314 HydrophobicContact CD2-CB 4.29Å; W310-K314 HydrophobicContact CE3-CB 4.33Å; W310-K314 HydrophobicContact CZ3-CB 4.48Å; W310-K314 WeakPolarHBondContact O-CB 3.43Å; W310-K314 WeakPolarHBondContact O-CG 3.47Å; W310-K314 PolarHBondContact O-N 3.3Å; K314-A316 PolarHBondContact O-N 3.48Å; K314-M317 HydrophobicContact CB-CE 4.3Å; K314-M317 PolarHBondContact O-N 2.9Å |
| 315 | D | 86.9 | Confident | 89.6 | Confident | 136 Ų | 136 | 78.2 Ų | 78.2 | 73% | 0.727 | 40% | 0.402 | S | S | * | . | G | 310 helix | trans | -70 | -19.6 | -175.8 | -58 | -36.8 | 0 | 0 | 0 | 111.9 | Y313 | Y313-D315 VanDerWaalsContact C-N 3.26Å; Y313-D315 PolarHBondContact O-N 2.8Å; Y313-D315 VanDerWaalsContact O-N 3.15Å |
| 316 | A | 89.5 | Confident | 89.6 | Confident | 34 Ų | 34 | 79.3 Ų | 79.3 | 28% | 0.281 | 41% | 0.407 | S | S | . | . | G | 310 helix | trans | -99.6 | 6.2 | 176 | 0 | 0 | 0 | 0 | 0 | 113.4 | Y313 K314 R363 N364 | Y313-A316 CarbonylContact O-C 3.42Å; Y313-A316 PolarHBondContact O-N 2.83Å; K314-A316 PolarHBondContact O-N 3.48Å; A316-R363 CarbonylContact O-C 3.47Å; A316-R363 WeakPolarHBondContact O-CA 3.4Å; A316-N364 PolarHBondContact O-N 2.97Å |
| 317 | M | 93.4 | Very high | 89.7 | Confident | 7 Ų | 7 | 76.3 Ų | 76.3 | 3% | 0.034 | 39% | 0.393 | C | S | . | . | S | Bend | trans | -102.6 | 149.3 | 178 | -71.7 | -168.8 | -78.8 | 0 | 0 | 111.9 | W304 W310 Y313 K314 C328 P331 | W304-M317 HydrophobicContact CD2-SD 4.29Å; W304-M317 HydrophobicContact CE3-SD 4.36Å; W310-M317 HydrophobicContact CE3-CE 3.71Å; W310-M317 HydrophobicContact CZ3-CE 4.21Å; Y313-M317 WeakPolarHBondContact O-CG 3.41Å; Y313-M317 PolarHBondContact O-N 3.1Å; K314-M317 HydrophobicContact CB-CE 4.3Å; K314-M317 PolarHBondContact O-N 2.9Å; M317-C328 HydrophobicContact SD-CB 4.41Å; M317-P331 HydrophobicContact CG-CB 4.23Å; M317-P331 HydrophobicContact CG-CG 3.75Å; M317-P331 HydrophobicContact SD-CG 3.73Å |
| 318 | F | 94.4 | Very high | 89.9 | Confident | 47 Ų | 47 | 76.3 Ų | 76.3 | 21% | 0.206 | 39% | 0.393 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.5 | 122.5 | 165.5 | -69.4 | -79.1 | 0 | 0 | 0 | 109.3 | C328 I329 H362 R363 N364 R377 | F318-C328 WeakPolarHBondContact O-CA 3.44Å; F318-I329 HydrophobicContact CB-CB 4.23Å; F318-I329 HydrophobicContact CB-CD1 4.01Å; F318-I329 HydrophobicContact CB-CG1 4.35Å; F318-I329 PolarHBondContact O-N 3.28Å; F318-H362 HydrophobicContact CD2-CB 3.8Å; F318-H362 HydrophobicContact CE2-CB 4.17Å; F318-R363 VanDerWaalsContact CE2-C 3.47Å; F318-R363 WeakPolarHBondContact CE2-O 3.45Å; F318-N364 HydrophobicContact CD1-CB 4.3Å; F318-N364 HydrophobicContact CD2-CB 4.2Å; F318-N364 HydrophobicContact CE1-CB 3.99Å; F318-N364 WeakPolarHBondContact CE1-OD1 3.35Å; F318-N364 HydrophobicContact CE2-CB 3.91Å; F318-N364 HydrophobicContact CG-CB 4.4Å; F318-N364 HydrophobicContact CZ-CB 3.78Å; F318-R377 HydrophobicContact CE2-CB 4.36Å; F318-R377 HydrophobicContact CZ-CB 4.48Å; F318-R377 HydrophobicContact CZ-CG 4.49Å |
| 319 | T | 93.7 | Very high | 90.4 | Very high | 85 Ų | 85 | 77.8 Ų | 77.8 | 52% | 0.521 | 40% | 0.4 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109 | 148.2 | 178.5 | 54.9 | 0 | 0 | 0 | 0 | 111 | W310 Y327 | W310-T319 HydrophobicContact CH2-CG2 4.04Å; W310-T319 HydrophobicContact CZ3-CG2 4.03Å; T319-Y327 CarbonylContact C-O 3.57Å; T319-Y327 WeakPolarHBondContact CA-O 3.23Å |
| 320 | T | 93.3 | Very high | 90.8 | Very high | 67 Ų | 67 | 77.8 Ų | 77.8 | 41% | 0.411 | 40% | 0.4 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.3 | 160.2 | 171.6 | -167 | 0 | 0 | 0 | 0 | 109.2 | M298 Y327 | M298-T320 HydrophobicContact CE-CG2 3.75Å; M298-T320 HydrophobicContact SD-CG2 3.67Å; T320-Y327 PolarHBondContact N-O 3.41Å; T320-Y327 PolarHBondContact O-N 3.42Å; T320-Y327 VanDerWaalsContact O-O 3.12Å |
| 321 | S | 92.4 | Very high | 91 | Very high | 92 Ų | 92 | 76.3 Ų | 76.3 | 64% | 0.643 | 40% | 0.395 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -120.4 | 141.4 | 176.8 | 53.1 | 0 | 0 | 0 | 0 | 109.8 | R325 | S321-R325 WeakPolarHBondContact CA-O 3.42Å |
| 322 | S | 91.1 | Very high | 91.4 | Very high | 66 Ų | 66 | 71.8 Ų | 71.8 | 46% | 0.462 | 37% | 0.37 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.5 | 128 | 172.6 | -172.1 | 0 | 0 | 0 | 0 | 108.5 | N324 R325 | S322-N324 PolarHBondContact O-N 2.86Å; S322-R325 PolarHBondContact N-O 3.36Å; S322-R325 PolarHBondContact O-N 3.24Å; S322-R325 VanDerWaalsContact O-N 3.09Å |
| 323 | E | 90.9 | Very high | 92.1 | Very high | 180 Ų | 180 | 67.4 Ų | 67.4 | 84% | 0.841 | 35% | 0.346 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 52.5 | -127.1 | -170.2 | -55.5 | 177.9 | 178.1 | 0 | 0 | 111.1 | ||
| 324 | N | 89.5 | Confident | 92.6 | Very high | 171 Ų | 171 | 63.4 Ų | 63.4 | 91% | 0.914 | 33% | 0.331 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -97.3 | 20.6 | 179.7 | -62.9 | -27.9 | 0 | 0 | 0 | 112.8 | S322 | S322-N324 PolarHBondContact O-N 2.86Š|
| 325 | R | 92.3 | Very high | 93 | Very high | 142 Ų | 142 | 58.8 Ų | 58.8 | 54% | 0.536 | 31% | 0.311 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.4 | 142.8 | -177.5 | -65.7 | -175.8 | -179.2 | -144.1 | 10.9 | 112.3 | D300 S321 S322 Y327 | D300-R325 WeakPolarHBondContact OD2-CD 3.34Å; D300-R325 IonicContact OD2-CZ 2.8Å; D300-R325 IonicContact OD2-NE 3.05Å; D300-R325 IonicContact OD2-NH1 3.82Å; D300-R325 PolarHBondContact OD2-NH1 3.09Å; S321-R325 WeakPolarHBondContact CA-O 3.42Å; S322-R325 PolarHBondContact N-O 3.36Å; S322-R325 PolarHBondContact O-N 3.24Å; S322-R325 VanDerWaalsContact O-N 3.09Å; R325-Y327 HydrophobicContact CB-CD2 4.32Å; R325-Y327 HydrophobicContact CB-CE2 3.58Å; R325-Y327 WeakPolarHBondContact CD-OH 3.14Å |
| 326 | E | 93.9 | Very high | 93.4 | Very high | 92 Ų | 92 | 52.5 Ų | 52.5 | 43% | 0.43 | 28% | 0.278 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.5 | 133.2 | 168.9 | -70.2 | -176.9 | 174.6 | 0 | 0 | 109.5 | R301 | R301-E326 HydrophobicContact CB-CB 4.08Å; R301-E326 WeakPolarHBondContact CB-O 3.28Å; R301-E326 WeakPolarHBondContact CD-OE2 3.37Å; R301-E326 IonicContact CZ-OE2 3.29Å; R301-E326 PolarHBondContact N-O 3.19Å; R301-E326 IonicContact NE-OE2 3Å; R301-E326 IonicContact NH1-OE2 2.7Å; R301-E326 PolarHBondContact NH1-OE2 2.55Å |
| 327 | Y | 94.4 | Very high | 93.7 | Very high | 60 Ų | 60 | 50.9 Ų | 50.9 | 24% | 0.235 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.6 | 149.2 | 179 | -63.4 | -90.1 | 0 | 0 | 0 | 110.1 | M298 D300 T319 T320 R325 | M298-Y327 HydrophobicContact CG-CD1 4.23Å; M298-Y327 HydrophobicContact CG-CG 4.18Å; M298-Y327 VanDerWaalsContact SD-CB 3.59Å; M298-Y327 HydrophobicContact SD-CD1 4.45Å; M298-Y327 HydrophobicContact SD-CG 4.03Å; D300-Y327 HydrophobicContact CB-CD1 4.5Å; D300-Y327 HydrophobicContact CB-CE1 4.47Å; T319-Y327 CarbonylContact C-O 3.57Å; T319-Y327 WeakPolarHBondContact CA-O 3.23Å; T320-Y327 PolarHBondContact N-O 3.41Å; T320-Y327 PolarHBondContact O-N 3.42Å; T320-Y327 VanDerWaalsContact O-O 3.12Å; R325-Y327 HydrophobicContact CB-CD2 4.32Å; R325-Y327 HydrophobicContact CB-CE2 3.58Å; R325-Y327 WeakPolarHBondContact CD-OH 3.14Å |
| 328 | C | 94.5 | Very high | 93.9 | Very high | 1 Ų | 1 | 50.6 Ų | 50.6 | 1% | 0.007 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.3 | 137.5 | 172.2 | -43.4 | 0 | 0 | 0 | 0 | 109.4 | M298 M299 W304 M317 F318 | M298-C328 WeakPolarHBondContact CA-O 3.38Å; M299-C328 PolarHBondContact N-O 2.98Å; M299-C328 PolarHBondContact O-N 3.41Å; W304-C328 VanDerWaalsContact CD1-SG 3.58Å; W304-C328 HydrophobicContact CG-CB 4.48Å; M317-C328 HydrophobicContact SD-CB 4.41Å; F318-C328 WeakPolarHBondContact O-CA 3.44Å |
| 329 | I | 95.6 | Very high | 94 | Very high | 33 Ų | 33 | 51.7 Ų | 51.7 | 17% | 0.169 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.4 | 129.1 | 163.8 | -59.9 | 176.6 | 0 | 0 | 0 | 107.1 | F297 M298 F318 P331 H362 | F297-I329 HydrophobicContact CD1-CG2 4.13Å; F297-I329 HydrophobicContact CD2-CG2 4.46Å; F297-I329 HydrophobicContact CE1-CB 4.25Å; F297-I329 HydrophobicContact CE1-CD1 4.07Å; F297-I329 HydrophobicContact CE1-CG1 3.95Å; F297-I329 HydrophobicContact CE1-CG2 3.41Å; F297-I329 VanDerWaalsContact CE1-CG2 3.41Å; F297-I329 HydrophobicContact CE2-CG2 3.81Å; F297-I329 HydrophobicContact CZ-CB 4.46Å; F297-I329 HydrophobicContact CZ-CD1 4.43Å; F297-I329 HydrophobicContact CZ-CG2 3.23Å; M298-I329 HydrophobicContact CE-CG1 4.22Å; F318-I329 HydrophobicContact CB-CB 4.23Å; F318-I329 HydrophobicContact CB-CD1 4.01Å; F318-I329 HydrophobicContact CB-CG1 4.35Å; F318-I329 PolarHBondContact O-N 3.28Å; I329-P331 VanDerWaalsContact O-CD 3.28Å; I329-P331 WeakPolarHBondContact O-CD 3.5Å; I329-H362 HydrophobicContact CG2-CB 3.68Å |
| 330 | K | 95.1 | Very high | 94.2 | Very high | 1 Ų | 1 | 50.3 Ų | 50.3 | 0% | 0.004 | 26% | 0.258 | C | S | . | . | trans | -61.7 | 124.5 | -170.7 | 68.9 | 175.1 | 174.5 | 178.1 | 0 | 112.7 | G295 P296 F297 M299 W304 M332 N333 E357 S360 C361 H362 | G295-K330 PolarHBondContact O-NZ 3.41Å; P296-K330 WeakPolarHBondContact O-CD 3.11Å; F297-K330 WeakPolarHBondContact O-CG 3.35Å; F297-K330 PolarHBondContact O-N 3.26Å; M299-K330 HydrophobicContact CE-CB 3.64Å; M299-K330 HydrophobicContact CE-CD 3.97Å; M299-K330 HydrophobicContact CE-CG 4.43Å; W304-K330 HydrophobicContact CH2-CB 3.9Å; W304-K330 HydrophobicContact CZ2-CB 3.77Å; K330-M332 VanDerWaalsContact C-N 3.33Å; K330-N333 WeakPolarHBondContact CE-OD1 3.48Å; K330-N333 PolarHBondContact NZ-OD1 3.25Å; K330-E357 IonicContact NZ-OE1 2.72Å; K330-E357 PolarHBondContact NZ-OE1 3.32Å; K330-E357 IonicContact NZ-OE2 3.54Å; K330-S360 WeakPolarHBondContact CE-O 3.48Å; K330-C361 CarbonylContact O-C 3.55Å; K330-C361 WeakPolarHBondContact O-CA 3.41Å; K330-C361 WeakPolarHBondContact O-CB 3.3Å; K330-H362 PolarHBondContact O-N 2.97Å | ||
| 331 | P | 94 | Very high | 94.4 | Very high | 1 Ų | 1 | 47.2 Ų | 47.2 | 1% | 0.006 | 24% | 0.239 | C | C | . | . | S | Bend | trans | -82.9 | -10 | 169.2 | 34.1 | -40.2 | 0 | 0 | 0 | 114.1 | W304 M317 I329 H362 R363 | W304-P331 VanDerWaalsContact CH2-CD 3.49Å; W304-P331 HydrophobicContact CH2-CG 4.2Å; W304-P331 HydrophobicContact CZ3-CG 4.04Å; M317-P331 HydrophobicContact CG-CB 4.23Å; M317-P331 HydrophobicContact CG-CG 3.75Å; M317-P331 HydrophobicContact SD-CG 3.73Å; I329-P331 VanDerWaalsContact O-CD 3.28Å; I329-P331 WeakPolarHBondContact O-CD 3.5Å; P331-H362 VanDerWaalsContact CA-O 3.26Å; P331-H362 WeakPolarHBondContact CA-O 3.32Å; P331-R363 HydrophobicContact CB-CG 3.98Å; P331-R363 PolarHBondContact O-NE 2.96Å |
| 332 | M | 94.1 | Very high | 94.6 | Very high | 18 Ų | 18 | 45.1 Ų | 45.1 | 9% | 0.089 | 22% | 0.22 | C | C | . | . | trans | -160.6 | 160.2 | -177.5 | 60.1 | -168.1 | 75.4 | 0 | 0 | 110.8 | W304 H309 K330 C334 C361 | W304-M332 HydrophobicContact CH2-CG 4.31Å; W304-M332 HydrophobicContact CZ3-CG 3.94Å; H309-M332 WeakPolarHBondContact CD2-CE 3.43Å; H309-M332 PolarHBondContact CD2-SD 3.38Å; H309-M332 PolarHBondContact NE2-SD 3Å; K330-M332 VanDerWaalsContact C-N 3.33Å; M332-C334 PolarHBondContact SD-SG 3.29Å; M332-C361 VanDerWaalsContact CA-SG 3.6Å | ||
| 333 | N | 94.9 | Very high | 94.8 | Very high | 0 Ų | 0 | 48.6 Ų | 48.6 | 0% | 0 | 23% | 0.23 | C | C | . | . | S | Bend | trans | -93.5 | -18.4 | -175.1 | -54.2 | -67.9 | 0 | 0 | 0 | 114.4 | K330 P335 G336 H337 G359 C361 D383 | K330-N333 WeakPolarHBondContact CE-OD1 3.48Å; K330-N333 PolarHBondContact NZ-OD1 3.25Å; N333-P335 VanDerWaalsContact C-CD 3.4Å; N333-P335 VanDerWaalsContact O-N 3.16Å; N333-G336 PolarHBondContact O-N 2.87Å; N333-H337 PolarHBondContact O-N 3.49Å; N333-G359 WeakPolarHBondContact OD1-CA 3.18Å; N333-C361 PolarHBondContact OD1-SG 3.45Å; N333-D383 WeakPolarHBondContact CB-OD2 3.41Å; N333-D383 PolarHBondContact ND2-OD2 3.09Å |
| 334 | C | 93.8 | Very high | 94.9 | Very high | 2 Ų | 2 | 42.9 Ų | 42.9 | 1% | 0.014 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -47.9 | -45 | -171 | 55.3 | 0 | 0 | 0 | 0 | 115.3 | M332 G336 H337 V338 H385 L489 M509 | M332-C334 PolarHBondContact SD-SG 3.29Å; C334-G336 VanDerWaalsContact C-N 3.29Å; C334-G336 PolarHBondContact O-N 3.26Å; C334-H337 PolarHBondContact O-N 2.98Å; C334-V338 WeakPolarHBondContact O-CG2 3.38Å; C334-V338 PolarHBondContact O-N 3.41Å; C334-V338 VanDerWaalsContact O-N 3.08Å; C334-H385 WeakPolarHBondContact CA-NE2 3.43Å; C334-H385 VanDerWaalsContact CB-NE2 3.26Å; C334-H385 WeakPolarHBondContact CB-NE2 3.34Å; C334-L489 HydrophobicContact CB-CD2 3.67Å; C334-L489 WeakPolarHBondContact SG-CD2 3.33Å; C334-M509 HydrophobicContact CB-CE 4.31Å |
| 335 | P | 94.7 | Very high | 95.1 | Very high | 0 Ų | 0 | 41.2 Ų | 41.2 | 0% | 0 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -67.8 | -34.4 | -175.3 | -18.2 | 35.9 | 0 | 0 | 0 | 111.6 | L303 W304 T307 N333 V338 Q339 L493 | L303-P335 HydrophobicContact CD1-CB 4.5Å; L303-P335 HydrophobicContact CD2-CB 3.89Å; L303-P335 HydrophobicContact CG-CB 4.07Å; W304-P335 HydrophobicContact CE3-CG 4.2Å; W304-P335 HydrophobicContact CH2-CG 3.94Å; W304-P335 HydrophobicContact CZ3-CG 3.6Å; T307-P335 HydrophobicContact CG2-CB 3.9Å; T307-P335 HydrophobicContact CG2-CG 3.89Å; N333-P335 VanDerWaalsContact C-CD 3.4Å; N333-P335 VanDerWaalsContact O-N 3.16Å; P335-V338 PolarHBondContact O-N 2.6Å; P335-Q339 WeakPolarHBondContact O-CG 3.17Å; P335-Q339 PolarHBondContact O-N 3.07Å; P335-L493 HydrophobicContact CB-CD1 4.15Å |
| 336 | G | 95.7 | Very high | 95.3 | Very high | 4 Ų | 4 | 36 Ų | 36 | 4% | 0.041 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -66.3 | -39.5 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | N333 C334 Q339 I340 | N333-G336 PolarHBondContact O-N 2.87Å; C334-G336 VanDerWaalsContact C-N 3.29Å; C334-G336 PolarHBondContact O-N 3.26Å; G336-Q339 PolarHBondContact O-N 3.17Å; G336-I340 WeakPolarHBondContact O-CG1 3.22Å; G336-I340 PolarHBondContact O-N 3.37Å; G336-I340 VanDerWaalsContact O-N 3.09Å |
| 337 | H | 97.1 | Very high | 95.4 | Very high | 0 Ų | 0 | 33.4 Ų | 33.4 | 0% | 0 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -68.3 | -37.2 | 177.2 | -70.1 | -164.5 | 0 | 0 | 0 | 111.5 | N333 C334 Q339 I340 F341 M355 E357 H385 | N333-H337 PolarHBondContact O-N 3.49Å; C334-H337 PolarHBondContact O-N 2.98Å; H337-Q339 VanDerWaalsContact C-N 3.34Å; H337-Q339 PolarHBondContact O-N 3.4Å; H337-I340 PolarHBondContact O-N 3.46Å; H337-F341 PolarHBondContact O-N 2.96Å; H337-M355 HydrophobicContact CB-CE 4.35Å; H337-M355 VanDerWaalsContact O-CE 3.3Å; H337-M355 WeakPolarHBondContact O-CE 3.33Å; H337-E357 IonicContact CD2-OE2 2.56Å; H337-E357 WeakPolarHBondContact NE2-CB 3.5Å; H337-E357 IonicContact NE2-OE2 3.11Å; H337-E357 PolarHBondContact NE2-OE2 3Å; H337-H385 HydrophobicContact CB-CB 4.29Å; H337-H385 AromaticContact CE1-ND1 3.56Å; H337-H385 AromaticContact CG-ND1 3.56Å; H337-H385 AromaticContact ND1-CE1 3.82Å; H337-H385 AromaticContact ND1-CG 3.71Å; H337-H385 AromaticContact ND1-ND1 2.84Å; H337-H385 PolarHBondContact ND1-ND1 3.4Å |
| 338 | V | 97 | Very high | 95.4 | Very high | 0 Ų | 0 | 33.3 Ų | 33.3 | 0% | 0 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -63.4 | -39.3 | 171.7 | -178.4 | 0 | 0 | 0 | 0 | 111.6 | C334 P335 I340 F341 N342 F387 L489 L493 A495 M509 | C334-V338 WeakPolarHBondContact O-CG2 3.38Å; C334-V338 PolarHBondContact O-N 3.41Å; C334-V338 VanDerWaalsContact O-N 3.08Å; P335-V338 PolarHBondContact O-N 2.6Å; V338-I340 VanDerWaalsContact C-N 3.27Å; V338-I340 PolarHBondContact O-N 3.38Å; V338-F341 WeakPolarHBondContact O-CB 3.38Å; V338-F341 PolarHBondContact O-N 2.75Å; V338-N342 WeakPolarHBondContact O-CB 3.49Å; V338-N342 VanDerWaalsContact O-CG 3.24Å; V338-N342 PolarHBondContact O-N 3.05Å; V338-N342 PolarHBondContact O-OD1 3.01Å; V338-F387 HydrophobicContact CB-CZ 4.47Å; V338-F387 HydrophobicContact CG2-CE1 4.03Å; V338-F387 HydrophobicContact CG2-CZ 3.89Å; V338-L489 HydrophobicContact CG2-CG 4.43Å; V338-L493 HydrophobicContact CB-CB 4.39Å; V338-L493 HydrophobicContact CB-CD1 3.83Å; V338-L493 HydrophobicContact CG1-CB 3.55Å; V338-L493 HydrophobicContact CG1-CD1 3.93Å; V338-L493 HydrophobicContact CG1-CG 4.41Å; V338-L493 HydrophobicContact CG2-CD1 4.18Å; V338-A495 HydrophobicContact CG1-CB 3.98Å; V338-M509 HydrophobicContact CG2-CE 3.97Å; V338-M509 HydrophobicContact CG2-SD 3.78Å |
| 339 | Q | 96.8 | Very high | 95.5 | Very high | 70 Ų | 70 | 42.4 Ų | 42.4 | 33% | 0.327 | 22% | 0.216 | S | C | . | . | H | α-helix | trans | -63.3 | -33.7 | 175.3 | -63.7 | -38.1 | -69.7 | 0 | 0 | 112.7 | L303 P335 G336 H337 Q343 | L303-Q339 HydrophobicContact CD1-CG 4.44Å; L303-Q339 HydrophobicContact CD2-CG 4.47Å; P335-Q339 WeakPolarHBondContact O-CG 3.17Å; P335-Q339 PolarHBondContact O-N 3.07Å; G336-Q339 PolarHBondContact O-N 3.17Å; H337-Q339 VanDerWaalsContact C-N 3.34Å; H337-Q339 PolarHBondContact O-N 3.4Å; Q339-Q343 PolarHBondContact O-NE2 3.27Å |
| 340 | I | 97.1 | Very high | 95.5 | Very high | 56 Ų | 56 | 45 Ų | 45 | 29% | 0.287 | 23% | 0.23 | S | C | . | . | H | α-helix | trans | -70 | -44 | 173.8 | -64.1 | 168.1 | 0 | 0 | 0 | 110.3 | V293 G336 H337 V338 N342 Q343 M355 | V293-I340 HydrophobicContact CB-CD1 3.98Å; V293-I340 HydrophobicContact CG2-CD1 3.96Å; G336-I340 WeakPolarHBondContact O-CG1 3.22Å; G336-I340 PolarHBondContact O-N 3.37Å; G336-I340 VanDerWaalsContact O-N 3.09Å; H337-I340 PolarHBondContact O-N 3.46Å; V338-I340 VanDerWaalsContact C-N 3.27Å; V338-I340 PolarHBondContact O-N 3.38Å; I340-N342 VanDerWaalsContact C-N 3.26Å; I340-N342 PolarHBondContact O-N 3.44Å; I340-Q343 WeakPolarHBondContact O-CB 3.49Å; I340-Q343 PolarHBondContact O-N 3.27Å; I340-M355 HydrophobicContact CB-SD 4.13Å; I340-M355 HydrophobicContact CG2-SD 3.65Å |
| 341 | F | 97.2 | Very high | 95.5 | Very high | 2 Ų | 2 | 45.4 Ų | 45.4 | 1% | 0.009 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -55 | -43.5 | 175 | -177.4 | -88.8 | 0 | 0 | 0 | 111.8 | H337 V338 Q343 K346 L351 L353 M355 F387 A495 P507 | H337-F341 PolarHBondContact O-N 2.96Å; V338-F341 WeakPolarHBondContact O-CB 3.38Å; V338-F341 PolarHBondContact O-N 2.75Å; F341-Q343 PolarHBondContact O-N 3.18Å; F341-Q343 VanDerWaalsContact O-N 3.15Å; F341-K346 HydrophobicContact CE1-CG 4.12Å; F341-K346 HydrophobicContact CE2-CG 4Å; F341-K346 HydrophobicContact CZ-CB 4.09Å; F341-K346 HydrophobicContact CZ-CG 3.75Å; F341-K346 WeakPolarHBondContact O-CE 3.32Å; F341-K346 PolarHBondContact O-NZ 3.24Å; F341-L351 HydrophobicContact CE2-CD2 3.88Å; F341-L351 HydrophobicContact CZ-CD2 4.24Å; F341-L353 HydrophobicContact CD2-CD2 3.84Å; F341-L353 HydrophobicContact CE2-CD2 4.23Å; F341-M355 HydrophobicContact CB-CE 3.95Å; F341-F387 HydrophobicContact CB-CD1 4.29Å; F341-F387 HydrophobicContact CB-CE1 3.95Å; F341-F387 HydrophobicContact CB-CE2 4.27Å; F341-F387 HydrophobicContact CB-CZ 3.94Å; F341-F387 HydrophobicContact CD1-CD1 4.29Å; F341-F387 HydrophobicContact CD1-CE1 4.44Å; F341-F387 HydrophobicContact CD2-CB 3.69Å; F341-F387 AromaticContact CD2-CD1 3.52Å; F341-F387 HydrophobicContact CD2-CD1 3.52Å; F341-F387 AromaticContact CD2-CD2 3.78Å; F341-F387 HydrophobicContact CD2-CD2 3.78Å; F341-F387 HydrophobicContact CD2-CE1 4.06Å; F341-F387 HydrophobicContact CD2-CE2 4.33Å; F341-F387 AromaticContact CD2-CG 3.35Å; F341-F387 HydrophobicContact CD2-CG 3.35Å; F341-F387 HydrophobicContact CD2-CZ 4.44Å; F341-F387 HydrophobicContact CE2-CB 3.47Å; F341-F387 VanDerWaalsContact CE2-CB 3.47Å; F341-F387 AromaticContact CE2-CD1 3.87Å; F341-F387 HydrophobicContact CE2-CD1 3.87Å; F341-F387 HydrophobicContact CE2-CD2 4.45Å; F341-F387 AromaticContact CE2-CG 3.67Å; F341-F387 HydrophobicContact CE2-CG 3.67Å; F341-F387 AromaticContact CG-CD1 3.77Å; F341-F387 HydrophobicContact CG-CD1 3.77Å; F341-F387 HydrophobicContact CG-CD2 4.44Å; F341-F387 AromaticContact CG-CE1 3.89Å; F341-F387 HydrophobicContact CG-CE1 3.89Å; F341-F387 HydrophobicContact CG-CG 4.05Å; F341-F387 HydrophobicContact CG-CZ 4.31Å; F341-F387 HydrophobicContact CZ-CB 4.36Å; F341-F387 HydrophobicContact CZ-CD1 4.39Å; F341-A495 HydrophobicContact CD1-CB 3.89Å; F341-A495 HydrophobicContact CE1-CB 4.13Å; F341-P507 HydrophobicContact CE1-CG 3.84Å; F341-P507 HydrophobicContact CE2-CG 4.49Å; F341-P507 HydrophobicContact CZ-CB 4.27Å; F341-P507 HydrophobicContact CZ-CG 3.78Å |
| 342 | N | 96.8 | Very high | 95.6 | Very high | 48 Ų | 48 | 47.1 Ų | 47.1 | 26% | 0.257 | 24% | 0.243 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -64.7 | -13.3 | 179.6 | -72.7 | -8.8 | 0 | 0 | 0 | 114.1 | V338 I340 G344 L493 A495 | V338-N342 WeakPolarHBondContact O-CB 3.49Å; V338-N342 VanDerWaalsContact O-CG 3.24Å; V338-N342 PolarHBondContact O-N 3.05Å; V338-N342 PolarHBondContact O-OD1 3.01Å; I340-N342 VanDerWaalsContact C-N 3.26Å; I340-N342 PolarHBondContact O-N 3.44Å; N342-G344 PolarHBondContact O-N 2.83Å; N342-L493 PolarHBondContact ND2-O 3.28Å; N342-A495 WeakPolarHBondContact OD1-CA 3.33Å |
| 343 | Q | 96.3 | Very high | 95.8 | Very high | 140 Ų | 140 | 47.3 Ų | 47.3 | 65% | 0.654 | 25% | 0.245 | S | C | * | . | S | Bend | trans | -77.5 | 110.8 | 175.2 | -61.8 | -51 | -52.5 | 0 | 0 | 110.9 | Q339 I340 F341 K346 | Q339-Q343 PolarHBondContact O-NE2 3.27Å; I340-Q343 WeakPolarHBondContact O-CB 3.49Å; I340-Q343 PolarHBondContact O-N 3.27Å; F341-Q343 PolarHBondContact O-N 3.18Å; F341-Q343 VanDerWaalsContact O-N 3.15Å; Q343-K346 PolarHBondContact O-NZ 3.01Å |
| 344 | G | 92.5 | Very high | 95.9 | Very high | 59 Ų | 59 | 49.3 Ų | 49.3 | 61% | 0.608 | 25% | 0.252 | S | S | * | . | S | Bend | trans | 82.3 | 157.5 | -178.2 | 0 | 0 | 0 | 0 | 0 | 113.4 | N342 K346 | N342-G344 PolarHBondContact O-N 2.83Å; G344-K346 PolarHBondContact O-NZ 3.1Å |
| 345 | L | 93.4 | Very high | 96.1 | Very high | 137 Ų | 137 | 49.4 Ų | 49.4 | 72% | 0.717 | 25% | 0.253 | S | S | * | . | trans | -69.7 | 140.4 | 175.8 | -73.1 | 148.8 | 0 | 0 | 0 | 110.3 | ||||
| 346 | K | 96.5 | Very high | 96.2 | Very high | 33 Ų | 33 | 49.5 Ų | 49.5 | 14% | 0.143 | 25% | 0.253 | C | S | . | . | trans | -115.2 | 134.1 | 174 | -56.9 | -63.1 | 177.4 | -60.9 | 0 | 109.3 | F341 Q343 G344 Y497 V498 | F341-K346 HydrophobicContact CE1-CG 4.12Å; F341-K346 HydrophobicContact CE2-CG 4Å; F341-K346 HydrophobicContact CZ-CB 4.09Å; F341-K346 HydrophobicContact CZ-CG 3.75Å; F341-K346 WeakPolarHBondContact O-CE 3.32Å; F341-K346 PolarHBondContact O-NZ 3.24Å; Q343-K346 PolarHBondContact O-NZ 3.01Å; G344-K346 PolarHBondContact O-NZ 3.1Å; K346-Y497 CarbonylContact O-C 3.56Å; K346-Y497 VanDerWaalsContact O-CA 3.25Å; K346-Y497 WeakPolarHBondContact O-CA 3.32Å; K346-V498 PolarHBondContact O-N 2.91Å | ||
| 347 | S | 95.9 | Very high | 96.3 | Very high | 37 Ų | 37 | 49.6 Ų | 49.6 | 26% | 0.259 | 25% | 0.253 | S | S | . | . | B | Isolated β-bridge | trans | -91.9 | 157 | 168.2 | 179.8 | 0 | 0 | 0 | 0 | 109.9 | R349 D350 | S347-R349 PolarHBondContact O-N 3.49Å; S347-R349 VanDerWaalsContact O-N 3.08Å; S347-R349 PolarHBondContact OG-N 3.34Å; S347-D350 PolarHBondContact N-OD2 3.05Å; S347-D350 WeakPolarHBondContact O-CB 3.43Å; S347-D350 PolarHBondContact O-N 2.89Å |
| 348 | Y | 95.5 | Very high | 96.3 | Very high | 58 Ų | 58 | 50.4 Ų | 50.4 | 23% | 0.227 | 26% | 0.256 | C | S | . | . | G | 310 helix | trans | -53 | -26.9 | 168.1 | 78.6 | -84.1 | 0 | 0 | 0 | 112.4 | D350 L351 V498 E500 | Y348-D350 VanDerWaalsContact C-N 3.31Å; Y348-D350 PolarHBondContact O-N 2.9Å; Y348-L351 PolarHBondContact O-N 3.4Å; Y348-V498 PolarHBondContact N-O 2.71Å; Y348-E500 HydrophobicContact CD1-CG 4Å; Y348-E500 HydrophobicContact CD2-CG 3.74Å; Y348-E500 HydrophobicContact CE1-CB 4.36Å; Y348-E500 HydrophobicContact CE1-CG 3.84Å; Y348-E500 HydrophobicContact CE2-CG 3.54Å; Y348-E500 WeakPolarHBondContact CE2-OE1 3.42Å; Y348-E500 HydrophobicContact CG-CG 3.95Å |
| 349 | R | 95.4 | Very high | 96 | Very high | 192 Ų | 192 | 50.4 Ų | 50.4 | 73% | 0.725 | 26% | 0.256 | S | S | * | . | G | 310 helix | trans | -71.9 | -20.8 | 175.9 | -60.6 | -175.8 | -180 | 178.2 | -0.2 | 114.3 | S347 L351 | S347-R349 PolarHBondContact O-N 3.49Å; S347-R349 VanDerWaalsContact O-N 3.08Å; S347-R349 PolarHBondContact OG-N 3.34Å; R349-L351 VanDerWaalsContact C-N 3.27Å |
| 350 | D | 95.4 | Very high | 95.9 | Very high | 86 Ų | 86 | 49 Ų | 49 | 46% | 0.46 | 25% | 0.254 | S | S | . | . | G | 310 helix | trans | -83.4 | -9.9 | 175.5 | -56.1 | -41.4 | 0 | 0 | 0 | 111.5 | S347 Y348 | S347-D350 PolarHBondContact N-OD2 3.05Å; S347-D350 WeakPolarHBondContact O-CB 3.43Å; S347-D350 PolarHBondContact O-N 2.89Å; Y348-D350 VanDerWaalsContact C-N 3.31Å; Y348-D350 PolarHBondContact O-N 2.9Å |
| 351 | L | 96.1 | Very high | 95.9 | Very high | 10 Ų | 10 | 46.3 Ų | 46.3 | 5% | 0.052 | 24% | 0.24 | C | C | . | . | trans | -95.9 | 139.8 | 178.2 | -54.7 | -174.8 | 0 | 0 | 0 | 110 | F341 Y348 R349 L353 F387 T389 Q392 Y497 P507 | F341-L351 HydrophobicContact CE2-CD2 3.88Å; F341-L351 HydrophobicContact CZ-CD2 4.24Å; Y348-L351 PolarHBondContact O-N 3.4Å; R349-L351 VanDerWaalsContact C-N 3.27Å; L351-L353 HydrophobicContact CD2-CB 4.16Å; L351-F387 HydrophobicContact CD2-CB 4.34Å; L351-T389 HydrophobicContact CB-CG2 4.38Å; L351-T389 HydrophobicContact CD1-CG2 3.9Å; L351-Q392 PolarHBondContact O-NE2 3Å; L351-Y497 HydrophobicContact CD1-CD1 3.73Å; L351-Y497 HydrophobicContact CD1-CD2 3.88Å; L351-Y497 HydrophobicContact CD1-CE1 4.06Å; L351-Y497 HydrophobicContact CD1-CE2 4.2Å; L351-Y497 HydrophobicContact CD1-CG 3.63Å; L351-P507 HydrophobicContact CD1-CB 4.39Å | ||
| 352 | P | 96.6 | Very high | 95.9 | Very high | 37 Ų | 37 | 47.5 Ų | 47.5 | 24% | 0.24 | 25% | 0.246 | C | C | . | . | S | Bend | cis | -82.5 | 130.8 | 10.1 | 31.5 | -35.3 | 0 | 0 | 0 | 113.6 | R354 I386 F387 C388 E396 | P352-R354 VanDerWaalsContact CG-NH2 3.31Å; P352-I386 HydrophobicContact CB-CG2 4.19Å; P352-F387 CarbonylContact C-O 3.58Å; P352-F387 WeakPolarHBondContact CA-O 3.33Å; P352-C388 HydrophobicContact CB-CB 4.08Å; P352-E396 HydrophobicContact CB-CG 4.03Å; P352-E396 HydrophobicContact CG-CG 4.43Å; P352-E396 VanDerWaalsContact CG-OE1 3.32Å; P352-E396 WeakPolarHBondContact CG-OE1 3.35Å |
| 353 | L | 97 | Very high | 95.8 | Very high | 23 Ų | 23 | 48.8 Ų | 48.8 | 12% | 0.12 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.3 | 109.4 | 173.9 | -174.5 | 70 | 0 | 0 | 0 | 110.1 | F341 L351 M355 I386 F387 | F341-L353 HydrophobicContact CD2-CD2 3.84Å; F341-L353 HydrophobicContact CE2-CD2 4.23Å; L351-L353 HydrophobicContact CD2-CB 4.16Å; L353-M355 HydrophobicContact CD2-CE 4.26Å; L353-M355 HydrophobicContact CD2-SD 4.48Å; L353-M355 HydrophobicContact CG-CG 4.47Å; L353-I386 WeakPolarHBondContact O-CA 3.34Å; L353-F387 HydrophobicContact CB-CB 4.42Å; L353-F387 PolarHBondContact N-O 2.92Å; L353-F387 PolarHBondContact O-N 3.13Å |
| 354 | R | 97.6 | Very high | 95.7 | Very high | 42 Ų | 42 | 44.9 Ų | 44.9 | 16% | 0.158 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.6 | 107.9 | -176 | -53.5 | -177.5 | -169.1 | 94.1 | 1.9 | 110.7 | Y290 Q291 P352 I386 E396 | Y290-R354 HydrophobicContact CD1-CB 3.6Å; Y290-R354 HydrophobicContact CD2-CB 4.4Å; Y290-R354 HydrophobicContact CE1-CB 3.84Å; Y290-R354 HydrophobicContact CE1-CG 4.47Å; Y290-R354 HydrophobicContact CG-CB 3.9Å; Q291-R354 PolarHBondContact N-O 2.7Å; P352-R354 VanDerWaalsContact CG-NH2 3.31Å; R354-I386 HydrophobicContact CB-CG1 4.31Å; R354-I386 HydrophobicContact CG-CB 4.46Å; R354-I386 HydrophobicContact CG-CD1 4.48Å; R354-I386 HydrophobicContact CG-CG1 4.06Å; R354-I386 HydrophobicContact CG-CG2 3.88Å; R354-E396 IonicContact CZ-OE1 2.74Å; R354-E396 IonicContact CZ-OE2 2.78Å; R354-E396 IonicContact NE-OE1 3.8Å; R354-E396 IonicContact NE-OE2 2.88Å; R354-E396 PolarHBondContact NE-OE2 2.77Å; R354-E396 IonicContact NH2-OE1 3.48Å; R354-E396 PolarHBondContact NH2-OE1 3Å; R354-E396 IonicContact NH2-OE2 3.49Å; R354-E396 PolarHBondContact NH2-OE2 3.01Å |
| 355 | M | 97.5 | Very high | 95.6 | Very high | 4 Ų | 4 | 43.7 Ų | 43.7 | 2% | 0.02 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.6 | 129.3 | 177.6 | -71.6 | -172.2 | -75.1 | 0 | 0 | 111 | Q291 V293 H337 I340 F341 L353 A384 H385 F387 | Q291-M355 CarbonylContact O-C 3.56Å; Q291-M355 WeakPolarHBondContact O-CA 3.15Å; V293-M355 HydrophobicContact CG1-CB 4.49Å; V293-M355 HydrophobicContact CG1-CG 4.16Å; V293-M355 HydrophobicContact CG1-SD 4.13Å; V293-M355 HydrophobicContact CG2-CB 4.07Å; V293-M355 HydrophobicContact CG2-SD 4.46Å; H337-M355 HydrophobicContact CB-CE 4.35Å; H337-M355 VanDerWaalsContact O-CE 3.3Å; H337-M355 WeakPolarHBondContact O-CE 3.33Å; I340-M355 HydrophobicContact CB-SD 4.13Å; I340-M355 HydrophobicContact CG2-SD 3.65Å; F341-M355 HydrophobicContact CB-CE 3.95Å; L353-M355 HydrophobicContact CD2-CE 4.26Å; L353-M355 HydrophobicContact CD2-SD 4.48Å; L353-M355 HydrophobicContact CG-CG 4.47Å; M355-A384 CarbonylContact O-C 3.58Å; M355-A384 WeakPolarHBondContact O-CA 3.49Å; M355-A384 VanDerWaalsContact O-CB 3.26Å; M355-A384 WeakPolarHBondContact O-CB 3.5Å; M355-H385 PolarHBondContact N-O 3.19Å; M355-H385 PolarHBondContact O-N 3.06Å; M355-F387 HydrophobicContact CE-CD2 3.63Å; M355-F387 HydrophobicContact CE-CE2 3.21Å; M355-F387 HydrophobicContact CE-CZ 4.05Å |
| 356 | A | 97.5 | Very high | 95.2 | Very high | 2 Ų | 2 | 41.3 Ų | 41.3 | 2% | 0.017 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.3 | 150.2 | 177 | 0 | 0 | 0 | 0 | 0 | 111 | L285 Y290 Q291 E292 V293 D383 A384 | L285-A356 HydrophobicContact CD1-CB 3.74Å; L285-A356 HydrophobicContact CD2-CB 4.11Å; Y290-A356 HydrophobicContact CD1-CB 4.1Å; Q291-A356 PolarHBondContact O-N 3.47Å; E292-A356 CarbonylContact C-O 3.5Å; E292-A356 VanDerWaalsContact CA-O 3.26Å; E292-A356 WeakPolarHBondContact CA-O 3.4Å; V293-A356 PolarHBondContact N-O 3.46Å; A356-D383 CarbonylContact C-O 3.59Å; A356-D383 WeakPolarHBondContact CA-O 3.37Å; A356-A384 HydrophobicContact CB-CB 3.93Å |
| 357 | E | 97.2 | Very high | 94.6 | Very high | 5 Ų | 5 | 44 Ų | 44 | 2% | 0.023 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -147.6 | 134.5 | 173 | -179 | -176.1 | 164 | 0 | 0 | 109.4 | V293 K294 G295 K330 H337 G359 Q381 D383 | V293-E357 WeakPolarHBondContact O-CB 3.35Å; V293-E357 VanDerWaalsContact O-CG 3.28Å; V293-E357 WeakPolarHBondContact O-CG 3.36Å; K294-E357 HydrophobicContact CD-CG 4.36Å; K294-E357 WeakPolarHBondContact CD-OE1 3.26Å; K294-E357 WeakPolarHBondContact CE-OE1 3.3Å; K294-E357 IonicContact NZ-OE1 3.69Å; K294-E357 PolarHBondContact NZ-OE1 3.11Å; G295-E357 PolarHBondContact N-OE2 3.15Å; K330-E357 IonicContact NZ-OE1 2.72Å; K330-E357 PolarHBondContact NZ-OE1 3.32Å; K330-E357 IonicContact NZ-OE2 3.54Å; H337-E357 IonicContact CD2-OE2 2.56Å; H337-E357 WeakPolarHBondContact NE2-CB 3.5Å; H337-E357 IonicContact NE2-OE2 3.11Å; H337-E357 PolarHBondContact NE2-OE2 3Å; E357-G359 PolarHBondContact O-N 2.94Å; E357-Q381 VanDerWaalsContact O-O 3.06Å; E357-D383 PolarHBondContact N-O 3.2Å; E357-D383 PolarHBondContact O-N 3.29Å |
| 358 | F | 96.1 | Very high | 93.7 | Very high | 18 Ų | 18 | 46 Ų | 46 | 8% | 0.079 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -73 | 77.1 | 158.6 | -66.1 | -83.4 | 0 | 0 | 0 | 109 | E278 V281 R282 L285 E292 S360 T380 Q381 D382 | E278-F358 HydrophobicContact CB-CE1 4.27Å; E278-F358 HydrophobicContact CB-CZ 4.23Å; E278-F358 HydrophobicContact CG-CD1 4.04Å; E278-F358 HydrophobicContact CG-CE1 4.02Å; E278-F358 HydrophobicContact CG-CG 4.44Å; E278-F358 HydrophobicContact CG-CZ 4.41Å; V281-F358 HydrophobicContact CB-CE1 4.02Å; V281-F358 HydrophobicContact CB-CZ 3.71Å; V281-F358 HydrophobicContact CG1-CE1 3.85Å; V281-F358 HydrophobicContact CG1-CZ 3.54Å; R282-F358 HydrophobicContact CG-CE2 3.5Å; R282-F358 HydrophobicContact CG-CZ 3.98Å; L285-F358 HydrophobicContact CD1-CE2 4.41Å; E292-F358 WeakPolarHBondContact OE1-CD2 3.26Å; F358-S360 PolarHBondContact O-N 3.37Å; F358-T380 HydrophobicContact CB-CG2 3.89Å; F358-Q381 WeakPolarHBondContact CA-O 3.46Å; F358-D382 HydrophobicContact CE1-CB 4.26Å |
| 359 | G | 91.9 | Very high | 93 | Very high | 0 Ų | 0 | 45 Ų | 45 | 0% | 0 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.6 | 107.9 | -166.2 | 0 | 0 | 0 | 0 | 0 | 111.7 | N333 E357 C361 T380 Q381 | N333-G359 WeakPolarHBondContact OD1-CA 3.18Å; E357-G359 PolarHBondContact O-N 2.94Å; G359-C361 PolarHBondContact O-N 3.02Å; G359-T380 WeakPolarHBondContact O-CA 3.43Å; G359-Q381 PolarHBondContact N-O 3.36Å; G359-Q381 VanDerWaalsContact N-O 3.14Å; G359-Q381 PolarHBondContact O-N 3.41Å |
| 360 | S | 95.3 | Very high | 92.7 | Very high | 39 Ų | 39 | 37.8 Ų | 37.8 | 27% | 0.273 | 23% | 0.229 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -72.1 | 113.7 | 171.4 | -176.2 | 0 | 0 | 0 | 0 | 110.1 | K330 F358 F379 | K330-S360 WeakPolarHBondContact CE-O 3.48Å; F358-S360 PolarHBondContact O-N 3.37Å; S360-F379 CarbonylContact C-O 3.56Å; S360-F379 WeakPolarHBondContact CA-O 3.3Å |
| 361 | C | 96.4 | Very high | 92.4 | Very high | 0 Ų | 0 | 37.4 Ų | 37.4 | 0% | 0 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.6 | 157 | -176.1 | -70.4 | 0 | 0 | 0 | 0 | 110.9 | K330 M332 N333 G359 F379 | K330-C361 CarbonylContact O-C 3.55Å; K330-C361 WeakPolarHBondContact O-CA 3.41Å; K330-C361 WeakPolarHBondContact O-CB 3.3Å; M332-C361 VanDerWaalsContact CA-SG 3.6Å; N333-C361 PolarHBondContact OD1-SG 3.45Å; G359-C361 PolarHBondContact O-N 3.02Å; C361-F379 HydrophobicContact CB-CD2 4.09Å; C361-F379 HydrophobicContact CB-CE1 4.43Å; C361-F379 HydrophobicContact CB-CE2 3.43Å; C361-F379 VanDerWaalsContact CB-CE2 3.43Å; C361-F379 HydrophobicContact CB-CZ 3.62Å; C361-F379 PolarHBondContact N-O 3.23Å; C361-F379 PolarHBondContact O-N 3.35Å |
| 362 | H | 96.8 | Very high | 92.3 | Very high | 27 Ų | 27 | 37.7 Ų | 37.7 | 13% | 0.125 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.9 | 134.3 | 177.1 | -65.3 | 60.6 | 0 | 0 | 0 | 112.5 | F297 F318 I329 K330 P331 R377 | F297-H362 AromaticContact CE2-CE1 3.33Å; F297-H362 WeakPolarHBondContact CE2-CE1 3.42Å; F297-H362 AromaticContact CE2-ND1 3.28Å; F297-H362 VanDerWaalsContact CE2-ND1 3.28Å; F297-H362 WeakPolarHBondContact CE2-ND1 3.4Å; F297-H362 AromaticContact CZ-CE1 3.33Å; F297-H362 WeakPolarHBondContact CZ-CE1 3.42Å; F297-H362 AromaticContact CZ-ND1 3.33Å; F297-H362 VanDerWaalsContact CZ-ND1 3.33Å; F297-H362 WeakPolarHBondContact CZ-ND1 3.27Å; F318-H362 HydrophobicContact CD2-CB 3.8Å; F318-H362 HydrophobicContact CE2-CB 4.17Å; I329-H362 HydrophobicContact CG2-CB 3.68Å; K330-H362 PolarHBondContact O-N 2.97Å; P331-H362 VanDerWaalsContact CA-O 3.26Å; P331-H362 WeakPolarHBondContact CA-O 3.32Å; H362-R377 CarbonylContact C-O 3.49Å; H362-R377 WeakPolarHBondContact CA-O 3.35Å |
| 363 | R | 95.1 | Very high | 92.2 | Very high | 76 Ų | 76 | 35.9 Ų | 35.9 | 29% | 0.287 | 22% | 0.217 | S | C | . | . | trans | -124.9 | 134.3 | 172.6 | -68 | 175.6 | -171 | 168.4 | 6 | 109.9 | A316 F318 P331 E365 R377 F379 | A316-R363 CarbonylContact O-C 3.47Å; A316-R363 WeakPolarHBondContact O-CA 3.4Å; F318-R363 VanDerWaalsContact CE2-C 3.47Å; F318-R363 WeakPolarHBondContact CE2-O 3.45Å; P331-R363 HydrophobicContact CB-CG 3.98Å; P331-R363 PolarHBondContact O-NE 2.96Å; R363-E365 HydrophobicContact CB-CG 4.23Å; R363-E365 PolarHBondContact O-N 2.79Å; R363-R377 PolarHBondContact N-O 2.72Å; R363-R377 WeakPolarHBondContact O-CA 3.3Å; R363-R377 WeakPolarHBondContact O-CB 3.11Å; R363-R377 VanDerWaalsContact O-CG 3.32Å; R363-R377 WeakPolarHBondContact O-CG 3.49Å; R363-F379 HydrophobicContact CB-CE1 4.13Å; R363-F379 HydrophobicContact CG-CE1 3.74Å; R363-F379 HydrophobicContact CG-CZ 3.95Å | ||
| 364 | N | 93.6 | Very high | 91.9 | Very high | 58 Ų | 58 | 35.8 Ų | 35.8 | 31% | 0.31 | 22% | 0.217 | S | C | . | . | trans | -78.9 | 59.8 | 178.6 | -171.5 | 24.1 | 0 | 0 | 0 | 111.5 | A316 F318 R377 | A316-N364 PolarHBondContact O-N 2.97Å; F318-N364 HydrophobicContact CD1-CB 4.3Å; F318-N364 HydrophobicContact CD2-CB 4.2Å; F318-N364 HydrophobicContact CE1-CB 3.99Å; F318-N364 WeakPolarHBondContact CE1-OD1 3.35Å; F318-N364 HydrophobicContact CE2-CB 3.91Å; F318-N364 HydrophobicContact CG-CB 4.4Å; F318-N364 HydrophobicContact CZ-CB 3.78Å; N364-R377 PolarHBondContact OD1-NH2 3.35Å | ||
| 365 | E | 90.7 | Very high | 91.6 | Very high | 33 Ų | 33 | 39.6 Ų | 39.6 | 15% | 0.154 | 23% | 0.231 | C | C | . | . | trans | -59.6 | 140.2 | 177.7 | -68.2 | -68.5 | 167.2 | 0 | 0 | 111 | R363 S367 L370 R375 R377 | R363-E365 HydrophobicContact CB-CG 4.23Å; R363-E365 PolarHBondContact O-N 2.79Å; E365-S367 PolarHBondContact O-N 3.03Å; E365-L370 HydrophobicContact CB-CD2 3.9Å; E365-R375 IonicContact OE1-NH2 3.73Å; E365-R375 IonicContact OE2-CZ 3.18Å; E365-R375 IonicContact OE2-NE 2.66Å; E365-R375 PolarHBondContact OE2-NE 2.88Å; E365-R375 IonicContact OE2-NH2 3.9Å; E365-R375 PolarHBondContact OE2-NH2 2.81Å; E365-R377 HydrophobicContact CB-CG 4.1Å; E365-R377 VanDerWaalsContact O-CZ 3.23Å; E365-R377 PolarHBondContact O-NE 2.78Å; E365-R377 PolarHBondContact O-NH2 3.02Å | ||
| 366 | P | 86.2 | Confident | 91.5 | Very high | 87 Ų | 87 | 39.8 Ų | 39.8 | 57% | 0.565 | 23% | 0.232 | S | C | * | . | trans | -56.2 | 136.8 | 175.7 | -24.4 | 33.3 | 0 | 0 | 0 | 111.2 | G368 S369 | P366-G368 PolarHBondContact O-N 2.93Å; P366-G368 VanDerWaalsContact O-N 3.16Å; P366-S369 WeakPolarHBondContact O-CB 3.43Å; P366-S369 PolarHBondContact O-N 2.85Å; P366-S369 PolarHBondContact O-OG 2.99Å | ||
| 367 | S | 83.3 | Confident | 91.5 | Very high | 89 Ų | 89 | 41.6 Ų | 41.6 | 62% | 0.622 | 24% | 0.239 | S | C | * | . | G | 310 helix | trans | -56.2 | -36.4 | -174.2 | 54.4 | 0 | 0 | 0 | 0 | 113.4 | E365 S369 L370 | E365-S367 PolarHBondContact O-N 3.03Å; S367-S369 VanDerWaalsContact C-N 3.25Å; S367-S369 PolarHBondContact O-N 2.89Å; S367-L370 WeakPolarHBondContact O-CG 3.37Å; S367-L370 PolarHBondContact O-N 3.17Å |
| 368 | G | 76.5 | Confident | 91.4 | Very high | 79 Ų | 79 | 41.9 Ų | 41.9 | 81% | 0.814 | 24% | 0.243 | S | C | * | . | G | 310 helix | trans | -69.6 | -15.8 | 177.3 | 0 | 0 | 0 | 0 | 0 | 115.1 | P366 | P366-G368 PolarHBondContact O-N 2.93Å; P366-G368 VanDerWaalsContact O-N 3.16Å |
| 369 | S | 81.8 | Confident | 91.5 | Very high | 38 Ų | 38 | 41.5 Ų | 41.5 | 27% | 0.266 | 24% | 0.241 | S | C | . | . | G | 310 helix | trans | -86.1 | -19.2 | 177.8 | 75.9 | 0 | 0 | 0 | 0 | 113.1 | P366 S367 H371 R375 | P366-S369 WeakPolarHBondContact O-CB 3.43Å; P366-S369 PolarHBondContact O-N 2.85Å; P366-S369 PolarHBondContact O-OG 2.99Å; S367-S369 VanDerWaalsContact C-N 3.25Å; S367-S369 PolarHBondContact O-N 2.89Å; S369-H371 PolarHBondContact O-N 3.04Å; S369-R375 WeakPolarHBondContact O-CD 3.4Å; S369-R375 PolarHBondContact OG-NE 2.88Å |
| 370 | L | 89.3 | Confident | 91.7 | Very high | 41 Ų | 41 | 42.5 Ų | 42.5 | 22% | 0.215 | 25% | 0.247 | C | C | . | . | trans | -63.4 | 135.2 | -174.2 | -55.8 | 176.6 | 0 | 0 | 0 | 111.3 | P261 E365 S367 R375 R377 | P261-L370 HydrophobicContact CB-CD1 4.06Å; E365-L370 HydrophobicContact CB-CD2 3.9Å; S367-L370 WeakPolarHBondContact O-CG 3.37Å; S367-L370 PolarHBondContact O-N 3.17Å; L370-R375 WeakPolarHBondContact CA-O 3.48Å; L370-R377 HydrophobicContact CD2-CG 3.8Å | ||
| 371 | H | 89.1 | Confident | 91.7 | Very high | 78 Ų | 78 | 42.3 Ų | 42.3 | 36% | 0.361 | 24% | 0.242 | S | C | . | . | B | Isolated β-bridge | trans | -147 | 88.7 | -175.4 | -169.7 | 82.2 | 0 | 0 | 0 | 112.9 | R245 S369 L373 M374 R375 | R245-H371 PolarHBondContact NH1-CE1 3.32Å; R245-H371 VanDerWaalsContact NH1-CE1 3.26Å; S369-H371 PolarHBondContact O-N 3.04Å; H371-L373 PolarHBondContact O-N 3.16Å; H371-M374 PolarHBondContact O-N 3Å; H371-R375 HydrophobicContact CB-CB 4.44Å; H371-R375 PolarHBondContact N-O 3.22Å; H371-R375 PolarHBondContact O-N 3.34Å |
| 372 | G | 92.1 | Very high | 91.6 | Very high | 15 Ų | 15 | 42.5 Ų | 42.5 | 16% | 0.155 | 24% | 0.243 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 51.3 | -128.9 | 178.1 | 0 | 0 | 0 | 0 | 0 | 110.8 | M256 V376 | M256-G372 WeakPolarHBondContact CE-O 3.45Å; G372-V376 WeakPolarHBondContact O-CG1 3.33Å |
| 373 | L | 95 | Very high | 91.6 | Very high | 0 Ų | 0 | 41.9 Ų | 41.9 | 0% | 0 | 24% | 0.241 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -86.5 | -11.9 | 175 | -59 | 179.6 | 0 | 0 | 0 | 113.9 | H244 Y254 M256 V264 W266 H371 E519 R520 I522 | H244-L373 PolarHBondContact NE2-N 3.15Å; Y254-L373 HydrophobicContact CD1-CD1 3.93Å; Y254-L373 HydrophobicContact CD1-CD2 4.31Å; Y254-L373 HydrophobicContact CD1-CG 4.36Å; Y254-L373 HydrophobicContact CD2-CD2 3.98Å; Y254-L373 HydrophobicContact CD2-CG 4.49Å; Y254-L373 HydrophobicContact CE1-CD1 3.45Å; Y254-L373 VanDerWaalsContact CE1-CD1 3.45Å; Y254-L373 HydrophobicContact CE1-CD2 4.2Å; Y254-L373 HydrophobicContact CE1-CG 3.8Å; Y254-L373 HydrophobicContact CE2-CD1 4.48Å; Y254-L373 HydrophobicContact CE2-CD2 3.82Å; Y254-L373 HydrophobicContact CE2-CG 3.92Å; Y254-L373 HydrophobicContact CG-CD2 4.23Å; M256-L373 HydrophobicContact CE-CD2 4.11Å; V264-L373 HydrophobicContact CB-CD2 4.29Å; V264-L373 HydrophobicContact CG1-CD2 3.6Å; V264-L373 HydrophobicContact CG2-CD2 3.68Å; W266-L373 HydrophobicContact CH2-CD1 3.7Å; W266-L373 HydrophobicContact CH2-CD2 3.89Å; W266-L373 HydrophobicContact CH2-CG 4.46Å; W266-L373 HydrophobicContact CZ2-CD2 4.1Å; W266-L373 HydrophobicContact CZ3-CD1 4.22Å; H371-L373 PolarHBondContact O-N 3.16Å; L373-E519 WeakPolarHBondContact CB-O 3.44Å; L373-E519 CarbonylContact O-C 3.58Å; L373-R520 VanDerWaalsContact O-CA 3.27Å; L373-R520 WeakPolarHBondContact O-CA 3.4Å; L373-R520 PolarHBondContact O-N 3.14Å; L373-I522 HydrophobicContact CD1-CB 4.49Å; L373-I522 HydrophobicContact CD1-CG2 4.09Å |
| 374 | M | 91.3 | Very high | 91.7 | Very high | 21 Ų | 21 | 38.2 Ų | 38.2 | 10% | 0.103 | 23% | 0.227 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -76.1 | -31.9 | -174 | -59.4 | -60.4 | -173.6 | 0 | 0 | 113 | H371 W478 R520 G523 I524 E527 | H371-M374 PolarHBondContact O-N 3Å; M374-W478 HydrophobicContact CB-CH2 4.47Å; M374-W478 HydrophobicContact CB-CZ3 4.17Å; M374-W478 HydrophobicContact CE-CH2 3.66Å; M374-W478 HydrophobicContact CE-CZ2 3.83Å; M374-W478 HydrophobicContact CE-CZ3 4.2Å; M374-W478 HydrophobicContact CG-CH2 3.82Å; M374-W478 HydrophobicContact CG-CZ3 3.92Å; M374-W478 HydrophobicContact SD-CE3 4.18Å; M374-W478 HydrophobicContact SD-CH2 3.6Å; M374-W478 HydrophobicContact SD-CZ2 4.28Å; M374-W478 HydrophobicContact SD-CZ3 3.54Å; M374-W478 VanDerWaalsContact SD-CZ3 3.54Å; M374-R520 HydrophobicContact SD-CG 4.17Å; M374-G523 VanDerWaalsContact CE-C 3.45Å; M374-I524 HydrophobicContact CE-CG1 4.14Å; M374-I524 HydrophobicContact SD-CG1 4.11Å; M374-E527 HydrophobicContact CE-CG 4.13Å |
| 375 | R | 91.4 | Very high | 91.9 | Very high | 121 Ų | 121 | 35.6 Ų | 35.6 | 46% | 0.457 | 21% | 0.213 | S | C | . | . | B | Isolated β-bridge | trans | -141 | 111.2 | 175 | -166.9 | 167.3 | -173.7 | 121.2 | -0.7 | 109.6 | E365 S369 L370 H371 | E365-R375 IonicContact OE1-NH2 3.73Å; E365-R375 IonicContact OE2-CZ 3.18Å; E365-R375 IonicContact OE2-NE 2.66Å; E365-R375 PolarHBondContact OE2-NE 2.88Å; E365-R375 IonicContact OE2-NH2 3.9Å; E365-R375 PolarHBondContact OE2-NH2 2.81Å; S369-R375 WeakPolarHBondContact O-CD 3.4Å; S369-R375 PolarHBondContact OG-NE 2.88Å; L370-R375 WeakPolarHBondContact CA-O 3.48Å; H371-R375 HydrophobicContact CB-CB 4.44Å; H371-R375 PolarHBondContact N-O 3.22Å; H371-R375 PolarHBondContact O-N 3.34Å |
| 376 | V | 95.4 | Very high | 92.2 | Very high | 9 Ų | 9 | 34 Ų | 34 | 6% | 0.055 | 21% | 0.205 | C | C | . | . | trans | -131.1 | 158.4 | -171.1 | -68.8 | 0 | 0 | 0 | 0 | 109.9 | M256 G262 V264 G372 G378 F379 E519 | M256-V376 HydrophobicContact CE-CG1 3.99Å; G262-V376 CarbonylContact O-C 3.45Å; G262-V376 WeakPolarHBondContact O-CA 3.47Å; G262-V376 VanDerWaalsContact O-CB 3.27Å; G262-V376 WeakPolarHBondContact O-CB 3.36Å; V264-V376 HydrophobicContact CG2-CG1 4.11Å; G372-V376 WeakPolarHBondContact O-CG1 3.33Å; V376-G378 VanDerWaalsContact CG2-O 3.3Å; V376-G378 WeakPolarHBondContact CG2-O 3.1Å; V376-F379 HydrophobicContact CG2-CB 3.8Å; V376-E519 HydrophobicContact CG2-CB 4.26Å; V376-E519 HydrophobicContact CG2-CG 4.37Å | ||
| 377 | R | 96.6 | Very high | 92.7 | Very high | 39 Ų | 39 | 29.9 Ų | 29.9 | 15% | 0.147 | 18% | 0.178 | C | C | . | . | S | Bend | trans | -86.5 | -39 | 174.6 | -73.7 | 175 | 160.9 | -174.8 | -2.8 | 112 | P261 G262 M263 F318 H362 R363 N364 E365 L370 | P261-R377 VanDerWaalsContact O-CD 3.25Å; P261-R377 WeakPolarHBondContact O-CD 3.5Å; G262-R377 PolarHBondContact O-N 3.01Å; M263-R377 HydrophobicContact CE-CB 4.42Å; F318-R377 HydrophobicContact CE2-CB 4.36Å; F318-R377 HydrophobicContact CZ-CB 4.48Å; F318-R377 HydrophobicContact CZ-CG 4.49Å; H362-R377 CarbonylContact C-O 3.49Å; H362-R377 WeakPolarHBondContact CA-O 3.35Å; R363-R377 PolarHBondContact N-O 2.72Å; R363-R377 WeakPolarHBondContact O-CA 3.3Å; R363-R377 WeakPolarHBondContact O-CB 3.11Å; R363-R377 VanDerWaalsContact O-CG 3.32Å; R363-R377 WeakPolarHBondContact O-CG 3.49Å; N364-R377 PolarHBondContact OD1-NH2 3.35Å; E365-R377 HydrophobicContact CB-CG 4.1Å; E365-R377 VanDerWaalsContact O-CZ 3.23Å; E365-R377 PolarHBondContact O-NE 2.78Å; E365-R377 PolarHBondContact O-NH2 3.02Å; L370-R377 HydrophobicContact CD2-CG 3.8Å |
| 378 | G | 96.2 | Very high | 93.4 | Very high | 11 Ų | 11 | 25.6 Ų | 25.6 | 11% | 0.113 | 15% | 0.149 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.1 | 126.4 | 173.4 | 0 | 0 | 0 | 0 | 0 | 110 | G262 V376 | G262-G378 PolarHBondContact O-N 2.86Å; V376-G378 VanDerWaalsContact CG2-O 3.3Å; V376-G378 WeakPolarHBondContact CG2-O 3.1Å |
| 379 | F | 96.8 | Very high | 94.3 | Very high | 11 Ų | 11 | 22.4 Ų | 22.4 | 5% | 0.048 | 11% | 0.113 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -146.9 | 156.8 | -178.6 | 56 | -92.6 | 0 | 0 | 0 | 111.9 | S360 C361 R363 V376 Q381 E519 | S360-F379 CarbonylContact C-O 3.56Å; S360-F379 WeakPolarHBondContact CA-O 3.3Å; C361-F379 HydrophobicContact CB-CD2 4.09Å; C361-F379 HydrophobicContact CB-CE1 4.43Å; C361-F379 HydrophobicContact CB-CE2 3.43Å; C361-F379 VanDerWaalsContact CB-CE2 3.43Å; C361-F379 HydrophobicContact CB-CZ 3.62Å; C361-F379 PolarHBondContact N-O 3.23Å; C361-F379 PolarHBondContact O-N 3.35Å; R363-F379 HydrophobicContact CB-CE1 4.13Å; R363-F379 HydrophobicContact CG-CE1 3.74Å; R363-F379 HydrophobicContact CG-CZ 3.95Å; V376-F379 HydrophobicContact CG2-CB 3.8Å; F379-Q381 HydrophobicContact CD2-CG 3.76Å; F379-Q381 HydrophobicContact CE2-CG 3.93Å; F379-E519 VanDerWaalsContact CA-OE2 3.29Å; F379-E519 WeakPolarHBondContact CA-OE2 3.33Å; F379-E519 WeakPolarHBondContact CB-OE2 3.33Å |
| 380 | T | 97.2 | Very high | 94.7 | Very high | 20 Ų | 20 | 25.1 Ų | 25.1 | 12% | 0.123 | 12% | 0.122 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.7 | 121.2 | 174.4 | -52.4 | 0 | 0 | 0 | 0 | 108.7 | F274 F358 G359 S517 M518 E519 | F274-T380 HydrophobicContact CZ-CG2 4.21Å; F358-T380 HydrophobicContact CB-CG2 3.89Å; G359-T380 WeakPolarHBondContact O-CA 3.43Å; T380-S517 CarbonylContact O-C 3.1Å; T380-S517 WeakPolarHBondContact O-CA 3.43Å; T380-M518 WeakPolarHBondContact O-CG 3.26Å; T380-M518 PolarHBondContact O-N 3.41Å; T380-E519 PolarHBondContact N-OE1 3.5Å; T380-E519 PolarHBondContact N-OE2 2.9Å |
| 381 | Q | 95 | Very high | 94.8 | Very high | 35 Ų | 35 | 30.3 Ų | 30.3 | 16% | 0.164 | 15% | 0.145 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.4 | 149.5 | 177.5 | -67.4 | -174.3 | -102 | 0 | 0 | 111.4 | E357 F358 G359 F379 D383 G516 | E357-Q381 VanDerWaalsContact O-O 3.06Å; F358-Q381 WeakPolarHBondContact CA-O 3.46Å; G359-Q381 PolarHBondContact N-O 3.36Å; G359-Q381 VanDerWaalsContact N-O 3.14Å; G359-Q381 PolarHBondContact O-N 3.41Å; F379-Q381 HydrophobicContact CD2-CG 3.76Å; F379-Q381 HydrophobicContact CE2-CG 3.93Å; Q381-D383 HydrophobicContact CB-CB 4.02Å; Q381-D383 PolarHBondContact O-N 3.44Å; Q381-G516 WeakPolarHBondContact CA-O 3.26Å |
| 382 | D | 95.2 | Very high | 95 | Very high | 5 Ų | 5 | 28.7 Ų | 28.7 | 3% | 0.027 | 14% | 0.138 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -77.5 | 50.2 | 165 | 67.6 | -40.7 | 0 | 0 | 0 | 111.2 | V281 F358 R512 I514 L515 G516 | V281-D382 HydrophobicContact CG1-CB 4.07Å; F358-D382 HydrophobicContact CE1-CB 4.26Å; D382-R512 PolarHBondContact O-NH1 3.31Å; D382-I514 PolarHBondContact OD1-N 3.26Å; D382-I514 WeakPolarHBondContact OD2-CA 3.13Å; D382-I514 VanDerWaalsContact OD2-CB 3.29Å; D382-I514 WeakPolarHBondContact OD2-CB 3.29Å; D382-I514 PolarHBondContact OD2-N 3.33Å; D382-L515 PolarHBondContact OD1-N 2.86Å; D382-L515 PolarHBondContact OD2-N 3.07Å; D382-G516 PolarHBondContact N-O 3.08Å; D382-G516 PolarHBondContact OD1-N 3.41Å |
| 383 | D | 95.5 | Very high | 95 | Very high | 13 Ų | 13 | 28 Ų | 28 | 7% | 0.07 | 13% | 0.131 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -72.4 | 143.7 | -168.4 | -160.9 | 11.1 | 0 | 0 | 0 | 111 | N333 A356 E357 Q381 H385 | N333-D383 WeakPolarHBondContact CB-OD2 3.41Å; N333-D383 PolarHBondContact ND2-OD2 3.09Å; A356-D383 CarbonylContact C-O 3.59Å; A356-D383 WeakPolarHBondContact CA-O 3.37Å; E357-D383 PolarHBondContact N-O 3.2Å; E357-D383 PolarHBondContact O-N 3.29Å; Q381-D383 HydrophobicContact CB-CB 4.02Å; Q381-D383 PolarHBondContact O-N 3.44Å; D383-H385 IonicContact OD1-CE1 3.53Å; D383-H385 IonicContact OD1-NE2 2.79Å; D383-H385 IonicContact OD2-CE1 3.1Å; D383-H385 PolarHBondContact OD2-CE1 3.03Å |
| 384 | A | 97.1 | Very high | 94.8 | Very high | 0 Ų | 0 | 33.7 Ų | 33.7 | 0% | 0 | 15% | 0.152 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -149.8 | 147.8 | 173 | 0 | 0 | 0 | 0 | 0 | 111.9 | Y290 M355 A356 R512 | Y290-A384 HydrophobicContact CD1-CB 3.9Å; Y290-A384 HydrophobicContact CE1-CB 3.69Å; M355-A384 CarbonylContact O-C 3.58Å; M355-A384 WeakPolarHBondContact O-CA 3.49Å; M355-A384 VanDerWaalsContact O-CB 3.26Å; M355-A384 WeakPolarHBondContact O-CB 3.5Å; A356-A384 HydrophobicContact CB-CB 3.93Å; A384-R512 HydrophobicContact CB-CG 4.12Å; A384-R512 PolarHBondContact N-O 3.48Å; A384-R512 PolarHBondContact O-N 3.24Å |
| 385 | H | 97.4 | Very high | 94.9 | Very high | 2 Ų | 2 | 37.9 Ų | 37.9 | 1% | 0.009 | 18% | 0.175 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.6 | 119.7 | 177 | -57.8 | 88 | 0 | 0 | 0 | 108.8 | C334 H337 M355 D383 F387 M509 I510 H511 | C334-H385 WeakPolarHBondContact CA-NE2 3.43Å; C334-H385 VanDerWaalsContact CB-NE2 3.26Å; C334-H385 WeakPolarHBondContact CB-NE2 3.34Å; H337-H385 HydrophobicContact CB-CB 4.29Å; H337-H385 AromaticContact CE1-ND1 3.56Å; H337-H385 AromaticContact CG-ND1 3.56Å; H337-H385 AromaticContact ND1-CE1 3.82Å; H337-H385 AromaticContact ND1-CG 3.71Å; H337-H385 AromaticContact ND1-ND1 2.84Å; H337-H385 PolarHBondContact ND1-ND1 3.4Å; M355-H385 PolarHBondContact N-O 3.19Å; M355-H385 PolarHBondContact O-N 3.06Å; D383-H385 IonicContact OD1-CE1 3.53Å; D383-H385 IonicContact OD1-NE2 2.79Å; D383-H385 IonicContact OD2-CE1 3.1Å; D383-H385 PolarHBondContact OD2-CE1 3.03Å; H385-F387 HydrophobicContact CB-CE2 4.02Å; H385-M509 HydrophobicContact CB-CG 4.11Å; H385-M509 HydrophobicContact CB-SD 3.99Å; H385-I510 WeakPolarHBondContact CA-O 3.45Å; H385-H511 AromaticContact CD2-CE1 3.74Å; H385-H511 AromaticContact CD2-CG 3.63Å; H385-H511 AromaticContact CD2-ND1 3.3Å; H385-H511 PolarHBondContact CD2-ND1 2.85Å; H385-H511 VanDerWaalsContact CD2-ND1 3.3Å; H385-H511 AromaticContact NE2-CE1 3.87Å; H385-H511 AromaticContact NE2-CG 3.91Å; H385-H511 AromaticContact NE2-ND1 3.23Å; H385-H511 PolarHBondContact NE2-ND1 3.31Å |
| 386 | I | 97.7 | Very high | 95.1 | Very high | 0 Ų | 0 | 32.9 Ų | 32.9 | 0% | 0 | 16% | 0.157 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.2 | 121.1 | 177.8 | -52.7 | 171.8 | 0 | 0 | 0 | 108.2 | Y290 P352 L353 R354 C388 E396 M509 I510 | Y290-I386 HydrophobicContact CE1-CD1 4.23Å; Y290-I386 HydrophobicContact CE1-CG1 4.01Å; Y290-I386 WeakPolarHBondContact OH-CD1 3.17Å; P352-I386 HydrophobicContact CB-CG2 4.19Å; L353-I386 WeakPolarHBondContact O-CA 3.34Å; R354-I386 HydrophobicContact CB-CG1 4.31Å; R354-I386 HydrophobicContact CG-CB 4.46Å; R354-I386 HydrophobicContact CG-CD1 4.48Å; R354-I386 HydrophobicContact CG-CG1 4.06Å; R354-I386 HydrophobicContact CG-CG2 3.88Å; I386-C388 HydrophobicContact CG2-CB 4.37Å; I386-E396 HydrophobicContact CD1-CB 4.47Å; I386-E396 HydrophobicContact CG2-CB 4.45Å; I386-E396 HydrophobicContact CG2-CG 4.05Å; I386-M509 CarbonylContact O-C 3.59Å; I386-M509 VanDerWaalsContact O-CA 3.29Å; I386-M509 WeakPolarHBondContact O-CA 3.34Å; I386-I510 HydrophobicContact CB-CB 4.15Å; I386-I510 PolarHBondContact N-O 3.04Å; I386-I510 PolarHBondContact O-N 3.19Å |
| 387 | F | 97.9 | Very high | 95.1 | Very high | 0 Ų | 0 | 32.5 Ų | 32.5 | 0% | 0 | 15% | 0.154 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.2 | 118 | 172.7 | -63.2 | -98.9 | 0 | 0 | 0 | 108 | V338 F341 L351 P352 L353 M355 H385 P507 V508 M509 | V338-F387 HydrophobicContact CB-CZ 4.47Å; V338-F387 HydrophobicContact CG2-CE1 4.03Å; V338-F387 HydrophobicContact CG2-CZ 3.89Å; F341-F387 HydrophobicContact CB-CD1 4.29Å; F341-F387 HydrophobicContact CB-CE1 3.95Å; F341-F387 HydrophobicContact CB-CE2 4.27Å; F341-F387 HydrophobicContact CB-CZ 3.94Å; F341-F387 HydrophobicContact CD1-CD1 4.29Å; F341-F387 HydrophobicContact CD1-CE1 4.44Å; F341-F387 HydrophobicContact CD2-CB 3.69Å; F341-F387 AromaticContact CD2-CD1 3.52Å; F341-F387 HydrophobicContact CD2-CD1 3.52Å; F341-F387 AromaticContact CD2-CD2 3.78Å; F341-F387 HydrophobicContact CD2-CD2 3.78Å; F341-F387 HydrophobicContact CD2-CE1 4.06Å; F341-F387 HydrophobicContact CD2-CE2 4.33Å; F341-F387 AromaticContact CD2-CG 3.35Å; F341-F387 HydrophobicContact CD2-CG 3.35Å; F341-F387 HydrophobicContact CD2-CZ 4.44Å; F341-F387 HydrophobicContact CE2-CB 3.47Å; F341-F387 VanDerWaalsContact CE2-CB 3.47Å; F341-F387 AromaticContact CE2-CD1 3.87Å; F341-F387 HydrophobicContact CE2-CD1 3.87Å; F341-F387 HydrophobicContact CE2-CD2 4.45Å; F341-F387 AromaticContact CE2-CG 3.67Å; F341-F387 HydrophobicContact CE2-CG 3.67Å; F341-F387 AromaticContact CG-CD1 3.77Å; F341-F387 HydrophobicContact CG-CD1 3.77Å; F341-F387 HydrophobicContact CG-CD2 4.44Å; F341-F387 AromaticContact CG-CE1 3.89Å; F341-F387 HydrophobicContact CG-CE1 3.89Å; F341-F387 HydrophobicContact CG-CG 4.05Å; F341-F387 HydrophobicContact CG-CZ 4.31Å; F341-F387 HydrophobicContact CZ-CB 4.36Å; F341-F387 HydrophobicContact CZ-CD1 4.39Å; L351-F387 HydrophobicContact CD2-CB 4.34Å; P352-F387 CarbonylContact C-O 3.58Å; P352-F387 WeakPolarHBondContact CA-O 3.33Å; L353-F387 HydrophobicContact CB-CB 4.42Å; L353-F387 PolarHBondContact N-O 2.92Å; L353-F387 PolarHBondContact O-N 3.13Å; M355-F387 HydrophobicContact CE-CD2 3.63Å; M355-F387 HydrophobicContact CE-CE2 3.21Å; M355-F387 HydrophobicContact CE-CZ 4.05Å; H385-F387 HydrophobicContact CB-CE2 4.02Å; F387-P507 HydrophobicContact CB-CB 4.29Å; F387-P507 HydrophobicContact CD1-CB 4.37Å; F387-P507 HydrophobicContact CD1-CG 3.96Å; F387-V508 WeakPolarHBondContact CA-O 3.42Å; F387-M509 HydrophobicContact CE1-CG 4.34Å; F387-M509 HydrophobicContact CE1-SD 3.67Å; F387-M509 HydrophobicContact CE2-SD 4.14Å; F387-M509 HydrophobicContact CZ-CG 4.32Å; F387-M509 HydrophobicContact CZ-SD 3.43Å; F387-M509 WeakPolarHBondContact CZ-SD 3.35Å |
| 388 | C | 96.8 | Very high | 94.9 | Very high | 0 Ų | 0 | 31.3 Ų | 31.3 | 0% | 0 | 15% | 0.151 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.9 | 166 | -175.2 | 62.5 | 0 | 0 | 0 | 0 | 111.1 | P352 I386 Q392 E396 V508 | P352-C388 HydrophobicContact CB-CB 4.08Å; I386-C388 HydrophobicContact CG2-CB 4.37Å; C388-Q392 HydrophobicContact CB-CB 3.87Å; C388-E396 HydrophobicContact CB-CG 4.23Å; C388-V508 PolarHBondContact N-O 3.16Å; C388-V508 PolarHBondContact O-N 3Å |
| 389 | T | 94.9 | Very high | 94.9 | Very high | 11 Ų | 11 | 31.3 Ų | 31.3 | 7% | 0.067 | 15% | 0.151 | C | C | . | . | trans | -77 | 166.6 | 169.3 | 74.7 | 0 | 0 | 0 | 0 | 110.5 | L351 E391 Q392 Y497 | L351-T389 HydrophobicContact CB-CG2 4.38Å; L351-T389 HydrophobicContact CD1-CG2 3.9Å; T389-E391 VanDerWaalsContact C-N 3.25Å; T389-E391 WeakPolarHBondContact CB-OE2 3.28Å; T389-E391 PolarHBondContact O-N 3.28Å; T389-E391 PolarHBondContact OG1-OE2 3.06Å; T389-Q392 PolarHBondContact O-N 2.98Å; T389-Q392 WeakPolarHBondContact OG1-CG 3.46Å; T389-Y497 HydrophobicContact CG2-CE2 3.98Å | ||
| 390 | E | 90.6 | Very high | 94.8 | Very high | 95 Ų | 95 | 30.8 Ų | 30.8 | 44% | 0.444 | 15% | 0.149 | S | C | . | . | G | 310 helix | trans | -60.7 | -36.5 | 177 | -72.5 | -174.8 | -153.6 | 0 | 0 | 111.8 | Q392 I393 R436 V508 | E390-Q392 PolarHBondContact O-N 3.4Å; E390-I393 WeakPolarHBondContact O-CG1 3.47Å; E390-I393 PolarHBondContact O-N 2.84Å; E390-R436 IonicContact OE2-NH1 2.81Å; E390-R436 PolarHBondContact OE2-NH1 2.9Å; E390-V508 HydrophobicContact CG-CG2 3.77Å |
| 391 | E | 91.5 | Very high | 94.7 | Very high | 150 Ų | 150 | 30 Ų | 30 | 70% | 0.701 | 14% | 0.143 | S | C | * | . | G | 310 helix | trans | -69.7 | -23.1 | 179.9 | -50.1 | 84.5 | -178.5 | 0 | 0 | 112.7 | T389 | T389-E391 VanDerWaalsContact C-N 3.25Å; T389-E391 WeakPolarHBondContact CB-OE2 3.28Å; T389-E391 PolarHBondContact O-N 3.28Å; T389-E391 PolarHBondContact OG1-OE2 3.06Å |
| 392 | Q | 94 | Very high | 94.6 | Very high | 44 Ų | 44 | 34.6 Ų | 34.6 | 21% | 0.206 | 16% | 0.159 | C | C | . | . | G | 310 helix | trans | -86.8 | -11.2 | -178 | -70.4 | 173.8 | -15.2 | 0 | 0 | 113.6 | L351 C388 T389 E390 R394 D395 E396 | L351-Q392 PolarHBondContact O-NE2 3Å; C388-Q392 HydrophobicContact CB-CB 3.87Å; T389-Q392 PolarHBondContact O-N 2.98Å; T389-Q392 WeakPolarHBondContact OG1-CG 3.46Å; E390-Q392 PolarHBondContact O-N 3.4Å; Q392-R394 VanDerWaalsContact C-N 3.32Å; Q392-R394 PolarHBondContact O-N 2.82Å; Q392-D395 PolarHBondContact O-N 2.84Å; Q392-E396 WeakPolarHBondContact O-CG 3.38Å; Q392-E396 PolarHBondContact O-N 3.23Å; Q392-E396 VanDerWaalsContact O-N 3.09Å |
| 393 | I | 92.2 | Very high | 94.5 | Very high | 2 Ų | 2 | 34.3 Ų | 34.3 | 1% | 0.01 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -52.7 | -50.2 | -174.4 | -68 | 172 | 0 | 0 | 0 | 111.1 | E390 D395 E396 V397 D440 L485 F487 V508 | E390-I393 WeakPolarHBondContact O-CG1 3.47Å; E390-I393 PolarHBondContact O-N 2.84Å; I393-D395 PolarHBondContact O-N 3.42Å; I393-E396 PolarHBondContact O-N 2.94Å; I393-V397 HydrophobicContact CG2-CG2 4.09Å; I393-V397 WeakPolarHBondContact O-CB 3.27Å; I393-V397 VanDerWaalsContact O-CG2 3.26Å; I393-V397 WeakPolarHBondContact O-CG2 3.16Å; I393-V397 PolarHBondContact O-N 3.35Å; I393-D440 HydrophobicContact CG2-CB 4.29Å; I393-L485 HydrophobicContact CG2-CD1 4.03Å; I393-L485 HydrophobicContact CG2-CD2 3.79Å; I393-F487 HydrophobicContact CD1-CE1 3.93Å; I393-F487 HydrophobicContact CD1-CZ 3.87Å; I393-V508 HydrophobicContact CD1-CB 4.33Å; I393-V508 HydrophobicContact CD1-CG1 3.97Å; I393-V508 HydrophobicContact CD1-CG2 4.13Å; I393-V508 HydrophobicContact CG1-CB 4.37Å; I393-V508 HydrophobicContact CG1-CG1 4.14Å |
| 394 | R | 90.9 | Very high | 94.4 | Very high | 118 Ų | 118 | 33.7 Ų | 33.7 | 45% | 0.445 | 16% | 0.155 | S | C | . | . | H | α-helix | trans | -61.2 | -44.3 | -175.5 | -179.7 | 171.5 | 162.8 | -162.5 | -12.9 | 112.4 | Q392 N398 E447 | Q392-R394 VanDerWaalsContact C-N 3.32Å; Q392-R394 PolarHBondContact O-N 2.82Å; R394-N398 VanDerWaalsContact O-CB 3.31Å; R394-N398 WeakPolarHBondContact O-CB 3.37Å; R394-N398 VanDerWaalsContact O-CG 3.25Å; R394-N398 PolarHBondContact O-N 3.35Å; R394-N398 PolarHBondContact O-ND2 3.42Å; R394-N398 VanDerWaalsContact O-ND2 3.16Å; R394-E447 IonicContact CZ-OE1 2.68Å; R394-E447 IonicContact CZ-OE2 2.97Å; R394-E447 VanDerWaalsContact NE-CD 3.3Å; R394-E447 IonicContact NE-OE1 2.8Å; R394-E447 PolarHBondContact NE-OE1 2.81Å; R394-E447 VanDerWaalsContact NE-OE1 3.1Å; R394-E447 IonicContact NE-OE2 2.65Å; R394-E447 PolarHBondContact NE-OE2 3.23Å; R394-E447 IonicContact NH1-OE1 3.1Å; R394-E447 IonicContact NH2-OE1 2.71Å; R394-E447 PolarHBondContact NH2-OE1 3.35Å; R394-E447 IonicContact NH2-OE2 2.96Å; R394-E447 PolarHBondContact NH2-OE2 3.3Å |
| 395 | D | 93.1 | Very high | 94.2 | Very high | 110 Ų | 110 | 37.4 Ų | 37.4 | 59% | 0.588 | 17% | 0.169 | S | C | * | . | H | α-helix | trans | -65.9 | -40.5 | 179.2 | -74.6 | -17.6 | 0 | 0 | 0 | 111.9 | Q392 I393 N398 G399 | Q392-D395 PolarHBondContact O-N 2.84Å; I393-D395 PolarHBondContact O-N 3.42Å; D395-N398 PolarHBondContact O-N 2.8Å; D395-G399 PolarHBondContact O-N 3.2Å |
| 396 | E | 95.5 | Very high | 93.9 | Very high | 16 Ų | 16 | 39.2 Ų | 39.2 | 8% | 0.075 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -71.9 | -39.4 | 178.8 | -68.1 | -56.5 | 122.6 | 0 | 0 | 112.6 | P352 R354 I386 C388 Q392 I393 G399 C400 I510 | P352-E396 HydrophobicContact CB-CG 4.03Å; P352-E396 HydrophobicContact CG-CG 4.43Å; P352-E396 VanDerWaalsContact CG-OE1 3.32Å; P352-E396 WeakPolarHBondContact CG-OE1 3.35Å; R354-E396 IonicContact CZ-OE1 2.74Å; R354-E396 IonicContact CZ-OE2 2.78Å; R354-E396 IonicContact NE-OE1 3.8Å; R354-E396 IonicContact NE-OE2 2.88Å; R354-E396 PolarHBondContact NE-OE2 2.77Å; R354-E396 IonicContact NH2-OE1 3.48Å; R354-E396 PolarHBondContact NH2-OE1 3Å; R354-E396 IonicContact NH2-OE2 3.49Å; R354-E396 PolarHBondContact NH2-OE2 3.01Å; I386-E396 HydrophobicContact CD1-CB 4.47Å; I386-E396 HydrophobicContact CG2-CB 4.45Å; I386-E396 HydrophobicContact CG2-CG 4.05Å; C388-E396 HydrophobicContact CB-CG 4.23Å; Q392-E396 WeakPolarHBondContact O-CG 3.38Å; Q392-E396 PolarHBondContact O-N 3.23Å; Q392-E396 VanDerWaalsContact O-N 3.09Å; I393-E396 PolarHBondContact O-N 2.94Å; E396-G399 PolarHBondContact O-N 3.36Å; E396-C400 PolarHBondContact O-N 3.27Å; E396-C400 PolarHBondContact O-SG 2.86Å; E396-C400 VanDerWaalsContact O-SG 3.38Å; E396-I510 HydrophobicContact CB-CD1 3.6Å |
| 397 | V | 94.8 | Very high | 93.6 | Very high | 0 Ų | 0 | 39.2 Ų | 39.2 | 0% | 0 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -62.2 | -45.4 | 172.7 | 173.1 | 0 | 0 | 0 | 0 | 110.2 | I393 G399 C400 I401 L441 A444 I466 V483 L485 I510 | I393-V397 HydrophobicContact CG2-CG2 4.09Å; I393-V397 WeakPolarHBondContact O-CB 3.27Å; I393-V397 VanDerWaalsContact O-CG2 3.26Å; I393-V397 WeakPolarHBondContact O-CG2 3.16Å; I393-V397 PolarHBondContact O-N 3.35Å; V397-G399 VanDerWaalsContact C-N 3.31Å; V397-G399 PolarHBondContact O-N 3Å; V397-C400 WeakPolarHBondContact O-CB 3.36Å; V397-C400 PolarHBondContact O-N 3.05Å; V397-I401 HydrophobicContact CG1-CD1 3.99Å; V397-I401 HydrophobicContact CG1-CG1 4.48Å; V397-I401 WeakPolarHBondContact O-CG1 3.44Å; V397-I401 PolarHBondContact O-N 2.83Å; V397-L441 HydrophobicContact CG1-CD2 3.99Å; V397-L441 HydrophobicContact CG2-CD2 3.88Å; V397-A444 HydrophobicContact CB-CB 4.3Å; V397-A444 HydrophobicContact CG1-CB 3.62Å; V397-I466 HydrophobicContact CG1-CD1 3.99Å; V397-V483 HydrophobicContact CG1-CG1 4.44Å; V397-V483 HydrophobicContact CG2-CG1 4.37Å; V397-L485 HydrophobicContact CG2-CD2 4.11Å; V397-I510 HydrophobicContact CG2-CD1 4.07Å |
| 398 | N | 93.7 | Very high | 93.4 | Very high | 15 Ų | 15 | 39.2 Ų | 39.2 | 8% | 0.08 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -59.7 | -40.2 | 173.9 | -78.6 | -31.7 | 0 | 0 | 0 | 112.1 | R394 D395 I401 R402 N448 | R394-N398 VanDerWaalsContact O-CB 3.31Å; R394-N398 WeakPolarHBondContact O-CB 3.37Å; R394-N398 VanDerWaalsContact O-CG 3.25Å; R394-N398 PolarHBondContact O-N 3.35Å; R394-N398 PolarHBondContact O-ND2 3.42Å; R394-N398 VanDerWaalsContact O-ND2 3.16Å; D395-N398 PolarHBondContact O-N 2.8Å; N398-I401 PolarHBondContact O-N 2.78Å; N398-R402 WeakPolarHBondContact O-CG 3.45Å; N398-R402 PolarHBondContact O-N 2.73Å; N398-N448 PolarHBondContact OD1-ND2 2.87Å |
| 399 | G | 94.7 | Very high | 93 | Very high | 11 Ų | 11 | 42.7 Ų | 42.7 | 11% | 0.113 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -60.7 | -43.6 | 173.3 | 0 | 0 | 0 | 0 | 0 | 113 | D395 E396 V397 L403 | D395-G399 PolarHBondContact O-N 3.2Å; E396-G399 PolarHBondContact O-N 3.36Å; V397-G399 VanDerWaalsContact C-N 3.31Å; V397-G399 PolarHBondContact O-N 3Å; G399-L403 PolarHBondContact O-N 2.97Å; G399-L403 VanDerWaalsContact O-N 3.11Å |
| 400 | C | 95.4 | Very high | 92.8 | Very high | 0 Ų | 0 | 43.6 Ų | 43.6 | 0% | 0 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -63.1 | -46.5 | 174.5 | -72.9 | 0 | 0 | 0 | 0 | 112 | E396 V397 R402 L403 V404 V483 | E396-C400 PolarHBondContact O-N 3.27Å; E396-C400 PolarHBondContact O-SG 2.86Å; E396-C400 VanDerWaalsContact O-SG 3.38Å; V397-C400 WeakPolarHBondContact O-CB 3.36Å; V397-C400 PolarHBondContact O-N 3.05Å; C400-R402 PolarHBondContact O-N 2.79Å; C400-L403 PolarHBondContact O-N 3.34Å; C400-V404 WeakPolarHBondContact O-CG2 3.48Å; C400-V404 PolarHBondContact O-N 3.11Å; C400-V483 HydrophobicContact CB-CG1 4.19Å; C400-V483 HydrophobicContact CB-CG2 3.67Å |
| 401 | I | 93.8 | Very high | 92.7 | Very high | 2 Ų | 2 | 39.2 Ų | 39.2 | 1% | 0.01 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -55.7 | -50.9 | 177.1 | -70.2 | 167.2 | 0 | 0 | 0 | 110.2 | V397 N398 L403 V404 Y405 A444 L445 N448 I450 I466 F468 | V397-I401 HydrophobicContact CG1-CD1 3.99Å; V397-I401 HydrophobicContact CG1-CG1 4.48Å; V397-I401 WeakPolarHBondContact O-CG1 3.44Å; V397-I401 PolarHBondContact O-N 2.83Å; N398-I401 PolarHBondContact O-N 2.78Å; I401-L403 VanDerWaalsContact C-N 3.32Å; I401-L403 PolarHBondContact O-N 3.14Å; I401-V404 WeakPolarHBondContact O-CB 3.42Å; I401-V404 PolarHBondContact O-N 3.24Å; I401-V404 VanDerWaalsContact O-N 3.13Å; I401-Y405 HydrophobicContact CG2-CD2 3.99Å; I401-Y405 HydrophobicContact CG2-CE2 4Å; I401-Y405 WeakPolarHBondContact O-CD2 3.3Å; I401-Y405 PolarHBondContact O-N 2.97Å; I401-A444 HydrophobicContact CD1-CB 4.25Å; I401-L445 HydrophobicContact CD1-CD2 4.25Å; I401-N448 HydrophobicContact CG2-CB 4.39Å; I401-I450 HydrophobicContact CG2-CD1 3.42Å; I401-I450 VanDerWaalsContact CG2-CD1 3.42Å; I401-I466 HydrophobicContact CD1-CD1 4.47Å; I401-F468 HydrophobicContact CG1-CZ 4.08Å |
| 402 | R | 93.4 | Very high | 92.4 | Very high | 132 Ų | 132 | 33.8 Ų | 33.8 | 50% | 0.498 | 17% | 0.172 | S | C | . | . | H | α-helix | trans | -57.1 | -44.8 | 178.4 | -72.1 | -170.4 | -60.2 | -90.1 | 2 | 112.2 | Y288 N398 C400 V404 Y405 D406 | Y288-R402 HydrophobicContact CE1-CB 4.45Å; N398-R402 WeakPolarHBondContact O-CG 3.45Å; N398-R402 PolarHBondContact O-N 2.73Å; C400-R402 PolarHBondContact O-N 2.79Å; R402-V404 VanDerWaalsContact C-N 3.33Å; R402-V404 PolarHBondContact O-N 3.31Å; R402-Y405 PolarHBondContact O-N 2.9Å; R402-D406 VanDerWaalsContact O-CB 3.26Å; R402-D406 WeakPolarHBondContact O-CB 3.43Å; R402-D406 PolarHBondContact O-N 3.1Å |
| 403 | L | 94.5 | Very high | 92 | Very high | 0 Ų | 0 | 32.1 Ų | 32.1 | 0% | 0 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -61.5 | -40.6 | 177.9 | 177.5 | 61.3 | 0 | 0 | 0 | 112.4 | K284 Y288 Y290 G399 C400 I401 M407 I514 | K284-L403 HydrophobicContact CB-CD1 3.99Å; Y288-L403 HydrophobicContact CD1-CB 3.98Å; Y288-L403 HydrophobicContact CD1-CD1 4.39Å; Y288-L403 HydrophobicContact CD2-CD1 3.66Å; Y288-L403 HydrophobicContact CE1-CB 3.7Å; Y288-L403 HydrophobicContact CE1-CD1 4.31Å; Y288-L403 HydrophobicContact CE2-CB 4.47Å; Y288-L403 HydrophobicContact CE2-CD1 3.56Å; Y288-L403 HydrophobicContact CG-CB 4.48Å; Y288-L403 HydrophobicContact CG-CD1 4.08Å; Y288-L403 HydrophobicContact CG-CD2 4.49Å; Y290-L403 HydrophobicContact CE2-CD2 4.36Å; G399-L403 PolarHBondContact O-N 2.97Å; G399-L403 VanDerWaalsContact O-N 3.11Å; C400-L403 PolarHBondContact O-N 3.34Å; I401-L403 VanDerWaalsContact C-N 3.32Å; I401-L403 PolarHBondContact O-N 3.14Å; L403-M407 HydrophobicContact CD1-CG 3.9Å; L403-M407 HydrophobicContact CD1-SD 3.62Å; L403-M407 HydrophobicContact CG-CG 4.49Å; L403-M407 HydrophobicContact CG-SD 3.92Å; L403-M407 WeakPolarHBondContact O-CB 3.21Å; L403-M407 WeakPolarHBondContact O-CG 3.46Å; L403-M407 PolarHBondContact O-N 3.1Å; L403-I514 HydrophobicContact CB-CD1 4.48Å; L403-I514 HydrophobicContact CD2-CD1 3.97Å; L403-I514 HydrophobicContact CD2-CG1 4.02Å; L403-I514 HydrophobicContact CG-CD1 4.03Å; L403-I514 HydrophobicContact CG-CG1 4.17Å |
| 404 | V | 93.4 | Very high | 91.3 | Very high | 0 Ų | 0 | 40.9 Ų | 40.9 | 0% | 0 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -58.2 | -53.8 | 176.9 | 172.8 | 0 | 0 | 0 | 0 | 110.9 | C400 I401 R402 M407 Y408 F468 I514 | C400-V404 WeakPolarHBondContact O-CG2 3.48Å; C400-V404 PolarHBondContact O-N 3.11Å; I401-V404 WeakPolarHBondContact O-CB 3.42Å; I401-V404 PolarHBondContact O-N 3.24Å; I401-V404 VanDerWaalsContact O-N 3.13Å; R402-V404 VanDerWaalsContact C-N 3.33Å; R402-V404 PolarHBondContact O-N 3.31Å; V404-M407 PolarHBondContact O-N 3.3Å; V404-Y408 HydrophobicContact CG1-CD2 3.52Å; V404-Y408 HydrophobicContact CG1-CE2 3.17Å; V404-Y408 HydrophobicContact CG1-CG 4.4Å; V404-Y408 WeakPolarHBondContact O-CB 3.44Å; V404-Y408 WeakPolarHBondContact O-CD2 3.17Å; V404-Y408 VanDerWaalsContact O-CG 3.25Å; V404-Y408 PolarHBondContact O-N 3.36Å; V404-F468 HydrophobicContact CG1-CB 4.31Å; V404-F468 HydrophobicContact CG1-CD1 3.87Å; V404-F468 HydrophobicContact CG1-CD2 4.18Å; V404-F468 HydrophobicContact CG1-CE1 4.23Å; V404-F468 HydrophobicContact CG1-CG 3.85Å; V404-F468 HydrophobicContact CG2-CD2 4.25Å; V404-F468 HydrophobicContact CG2-CE2 4.09Å; V404-F468 HydrophobicContact CG2-CZ 4.41Å; V404-I514 HydrophobicContact CB-CD1 4.45Å; V404-I514 HydrophobicContact CB-CG2 4.37Å; V404-I514 HydrophobicContact CG2-CD1 3.39Å; V404-I514 HydrophobicContact CG2-CG2 4.11Å |
| 405 | Y | 91.7 | Very high | 90.9 | Very high | 77 Ų | 77 | 40.8 Ų | 40.8 | 30% | 0.302 | 21% | 0.208 | S | C | . | . | H | α-helix | trans | -66.1 | -40 | -178.2 | -79.9 | -88.2 | 0 | 0 | 0 | 112.7 | I401 R402 Y408 S409 I416 I450 F468 | I401-Y405 HydrophobicContact CG2-CD2 3.99Å; I401-Y405 HydrophobicContact CG2-CE2 4Å; I401-Y405 WeakPolarHBondContact O-CD2 3.3Å; I401-Y405 PolarHBondContact O-N 2.97Å; R402-Y405 PolarHBondContact O-N 2.9Å; Y405-Y408 PolarHBondContact O-N 3.47Å; Y405-S409 WeakPolarHBondContact O-CB 3.37Å; Y405-S409 PolarHBondContact O-N 2.8Å; Y405-S409 PolarHBondContact O-OG 2.92Å; Y405-I416 HydrophobicContact CD1-CD1 3.56Å; Y405-I416 HydrophobicContact CE1-CB 4.37Å; Y405-I416 HydrophobicContact CE1-CD1 3.43Å; Y405-I416 VanDerWaalsContact CE1-CD1 3.43Å; Y405-I416 HydrophobicContact CE1-CG1 4.49Å; Y405-I416 HydrophobicContact CG-CD1 4.45Å; Y405-I450 HydrophobicContact CE2-CD1 3.57Å; Y405-I450 HydrophobicContact CE2-CG1 4.34Å; Y405-F468 HydrophobicContact CE2-CD1 4.5Å; Y405-F468 HydrophobicContact CE2-CE1 4.04Å |
| 406 | D | 91.2 | Very high | 90.7 | Very high | 40 Ų | 40 | 36.9 Ų | 36.9 | 21% | 0.214 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -58.4 | -48.7 | 175 | 177.2 | 15.4 | 0 | 0 | 0 | 111.1 | K284 Y288 R402 S409 T410 | K284-D406 WeakPolarHBondContact CE-OD2 3.3Å; K284-D406 IonicContact NZ-OD1 3.09Å; K284-D406 PolarHBondContact NZ-OD1 2.96Å; K284-D406 IonicContact NZ-OD2 3.15Å; K284-D406 PolarHBondContact NZ-OD2 2.8Å; Y288-D406 PolarHBondContact OH-OD2 3.02Å; R402-D406 VanDerWaalsContact O-CB 3.26Å; R402-D406 WeakPolarHBondContact O-CB 3.43Å; R402-D406 PolarHBondContact O-N 3.1Å; D406-S409 PolarHBondContact O-OG 2.94Å; D406-T410 PolarHBondContact O-OG1 2.81Å |
| 407 | M | 92.5 | Very high | 90.5 | Very high | 0 Ų | 0 | 37.8 Ų | 37.8 | 0% | 0 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -65.6 | -43.4 | 178.1 | -72.4 | -179.9 | 62.9 | 0 | 0 | 112.8 | F280 V281 K284 L403 V404 T410 F411 I514 L515 | F280-M407 HydrophobicContact CE1-CB 4.42Å; F280-M407 HydrophobicContact CE1-CE 4.21Å; F280-M407 HydrophobicContact CE1-CG 4.28Å; F280-M407 HydrophobicContact CZ-CG 4.3Å; V281-M407 HydrophobicContact CB-CE 4.36Å; V281-M407 HydrophobicContact CG1-CE 4.32Å; V281-M407 HydrophobicContact CG2-CE 3.68Å; K284-M407 HydrophobicContact CB-CG 4.45Å; K284-M407 HydrophobicContact CB-SD 4.34Å; K284-M407 HydrophobicContact CG-CG 4.11Å; L403-M407 HydrophobicContact CD1-CG 3.9Å; L403-M407 HydrophobicContact CD1-SD 3.62Å; L403-M407 HydrophobicContact CG-CG 4.49Å; L403-M407 HydrophobicContact CG-SD 3.92Å; L403-M407 WeakPolarHBondContact O-CB 3.21Å; L403-M407 WeakPolarHBondContact O-CG 3.46Å; L403-M407 PolarHBondContact O-N 3.1Å; V404-M407 PolarHBondContact O-N 3.3Å; M407-T410 WeakPolarHBondContact O-CB 3.5Å; M407-T410 PolarHBondContact O-N 2.88Å; M407-F411 WeakPolarHBondContact O-CD2 3.49Å; M407-F411 WeakPolarHBondContact O-CE2 3.44Å; M407-I514 HydrophobicContact CB-CG2 3.92Å; M407-I514 HydrophobicContact CE-CB 4.07Å; M407-I514 HydrophobicContact CE-CG2 3.92Å; M407-I514 HydrophobicContact CG-CG2 4.25Å; M407-I514 HydrophobicContact SD-CB 3.88Å; M407-I514 HydrophobicContact SD-CG1 4.03Å; M407-I514 HydrophobicContact SD-CG2 3.53Å; M407-I514 VanDerWaalsContact SD-CG2 3.53Å; M407-L515 HydrophobicContact CE-CD1 3.98Å; M407-L515 HydrophobicContact CE-CD2 3.76Å; M407-L515 HydrophobicContact CE-CG 3.65Å |
| 408 | Y | 91.9 | Very high | 90.5 | Very high | 0 Ų | 0 | 37.8 Ų | 37.8 | 0% | 0 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -68.3 | -36.7 | -179.1 | -68.8 | -15.3 | 0 | 0 | 0 | 113.7 | V404 Y405 T410 F411 G412 F413 I416 F468 L470 C480 G481 I514 L515 | V404-Y408 HydrophobicContact CG1-CD2 3.52Å; V404-Y408 HydrophobicContact CG1-CE2 3.17Å; V404-Y408 HydrophobicContact CG1-CG 4.4Å; V404-Y408 WeakPolarHBondContact O-CB 3.44Å; V404-Y408 WeakPolarHBondContact O-CD2 3.17Å; V404-Y408 VanDerWaalsContact O-CG 3.25Å; V404-Y408 PolarHBondContact O-N 3.36Å; Y405-Y408 PolarHBondContact O-N 3.47Å; Y408-T410 PolarHBondContact O-N 2.87Å; Y408-F411 PolarHBondContact O-N 3.45Å; Y408-G412 PolarHBondContact O-N 3.32Å; Y408-F413 PolarHBondContact O-N 3.15Å; Y408-I416 HydrophobicContact CD2-CD1 3.72Å; Y408-I416 HydrophobicContact CD2-CG1 4.17Å; Y408-F468 HydrophobicContact CE2-CB 4.14Å; Y408-L470 HydrophobicContact CD1-CD1 4.24Å; Y408-L470 HydrophobicContact CD1-CD2 4.4Å; Y408-L470 HydrophobicContact CD2-CD2 3.53Å; Y408-L470 HydrophobicContact CD2-CG 4.37Å; Y408-L470 HydrophobicContact CE1-CD1 3.87Å; Y408-L470 HydrophobicContact CE2-CD1 4.09Å; Y408-L470 HydrophobicContact CE2-CD2 3.65Å; Y408-L470 HydrophobicContact CE2-CG 4Å; Y408-L470 HydrophobicContact CG-CD2 3.9Å; Y408-C480 WeakPolarHBondContact OH-CB 3.47Å; Y408-G481 WeakPolarHBondContact OH-CA 3.27Å; Y408-G481 PolarHBondContact OH-N 3.31Å; Y408-I514 HydrophobicContact CE1-CG2 4.24Å; Y408-I514 WeakPolarHBondContact CE1-O 3.39Å; Y408-I514 VanDerWaalsContact CZ-O 3.31Å; Y408-I514 PolarHBondContact OH-O 3.42Å; Y408-L515 HydrophobicContact CD1-CD2 4.38Å; Y408-L515 HydrophobicContact CE1-CD2 4.1Å |
| 409 | S | 89.2 | Confident | 90.5 | Very high | 74 Ų | 74 | 39.5 Ų | 39.5 | 52% | 0.517 | 20% | 0.201 | S | C | . | . | H | α-helix | trans | -59.6 | -34.1 | 176 | 69.8 | 0 | 0 | 0 | 0 | 112.3 | Y405 D406 F411 G412 | Y405-S409 WeakPolarHBondContact O-CB 3.37Å; Y405-S409 PolarHBondContact O-N 2.8Å; Y405-S409 PolarHBondContact O-OG 2.92Å; D406-S409 PolarHBondContact O-OG 2.94Å; S409-F411 PolarHBondContact O-N 3.43Å; S409-G412 PolarHBondContact O-N 2.81Å |
| 410 | T | 90.3 | Very high | 90.5 | Very high | 29 Ų | 29 | 39 Ų | 39 | 18% | 0.178 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -61.4 | -27.8 | 175.7 | -58.7 | 0 | 0 | 0 | 0 | 112.7 | F280 D406 M407 Y408 W536 R635 L637 | F280-T410 HydrophobicContact CE2-CG2 3.96Å; F280-T410 HydrophobicContact CZ-CG2 3.83Å; D406-T410 PolarHBondContact O-OG1 2.81Å; M407-T410 WeakPolarHBondContact O-CB 3.5Å; M407-T410 PolarHBondContact O-N 2.88Å; Y408-T410 PolarHBondContact O-N 2.87Å; T410-W536 HydrophobicContact CG2-CZ2 4.44Å; T410-R635 HydrophobicContact CG2-CB 4.03Å; T410-L637 WeakPolarHBondContact O-CD2 3.4Å |
| 411 | F | 89.6 | Confident | 90.5 | Very high | 3 Ų | 3 | 39 Ų | 39 | 1% | 0.013 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -96.9 | -3.2 | 177.6 | -58.9 | -76.5 | 0 | 0 | 0 | 113.6 | L277 F280 M407 Y408 S409 F413 L515 F521 L525 W536 L537 | L277-F411 HydrophobicContact CD2-CE1 3.62Å; L277-F411 HydrophobicContact CD2-CZ 3.59Å; F280-F411 HydrophobicContact CD1-CE2 4.2Å; F280-F411 AromaticContact CD1-CZ 3.83Å; F280-F411 HydrophobicContact CD1-CZ 3.83Å; F280-F411 AromaticContact CE1-CE2 3.63Å; F280-F411 HydrophobicContact CE1-CE2 3.63Å; F280-F411 AromaticContact CE1-CZ 3.73Å; F280-F411 HydrophobicContact CE1-CZ 3.73Å; F280-F411 HydrophobicContact CZ-CE2 4.49Å; M407-F411 WeakPolarHBondContact O-CD2 3.49Å; M407-F411 WeakPolarHBondContact O-CE2 3.44Å; Y408-F411 PolarHBondContact O-N 3.45Å; S409-F411 PolarHBondContact O-N 3.43Å; F411-F413 HydrophobicContact CB-CD2 3.69Å; F411-F413 HydrophobicContact CB-CE2 3.69Å; F411-F413 HydrophobicContact CG-CE2 4.49Å; F411-L515 HydrophobicContact CE2-CD2 4.07Å; F411-F521 HydrophobicContact CD1-CE1 4.31Å; F411-F521 HydrophobicContact CD1-CZ 4.38Å; F411-F521 HydrophobicContact CD2-CE1 4.07Å; F411-F521 AromaticContact CD2-CZ 3.65Å; F411-F521 HydrophobicContact CD2-CZ 3.65Å; F411-F521 AromaticContact CE1-CE1 3.98Å; F411-F521 HydrophobicContact CE1-CE1 3.98Å; F411-F521 HydrophobicContact CE1-CZ 4.43Å; F411-F521 AromaticContact CE2-CE1 3.72Å; F411-F521 HydrophobicContact CE2-CE1 3.72Å; F411-F521 AromaticContact CE2-CZ 3.72Å; F411-F521 HydrophobicContact CE2-CZ 3.72Å; F411-F521 HydrophobicContact CG-CE1 4.36Å; F411-F521 HydrophobicContact CG-CZ 4.01Å; F411-F521 AromaticContact CZ-CE1 3.68Å; F411-F521 HydrophobicContact CZ-CE1 3.68Å; F411-F521 HydrophobicContact CZ-CZ 4.13Å; F411-L525 HydrophobicContact CB-CD2 4.21Å; F411-L525 HydrophobicContact CD1-CD1 4.23Å; F411-L525 HydrophobicContact CD1-CD2 3.68Å; F411-L525 HydrophobicContact CE1-CD1 4.06Å; F411-L525 HydrophobicContact CE1-CD2 4.33Å; F411-L525 HydrophobicContact CG-CD2 4.08Å; F411-W536 HydrophobicContact CD1-CZ2 4.27Å; F411-W536 AromaticContact CE1-CH2 3.89Å; F411-W536 HydrophobicContact CE1-CH2 3.89Å; F411-W536 AromaticContact CE1-CZ2 3.59Å; F411-W536 HydrophobicContact CE1-CZ2 3.59Å; F411-W536 HydrophobicContact CZ-CH2 4.17Å; F411-W536 HydrophobicContact CZ-CZ2 4.19Å; F411-L537 HydrophobicContact CD1-CD1 4.4Å; F411-L537 HydrophobicContact CE1-CD1 4.09Å |
| 412 | G | 85 | Confident | 90.4 | Very high | 36 Ų | 36 | 39.4 Ų | 39.4 | 37% | 0.371 | 20% | 0.198 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 82.5 | 18.7 | 178.6 | 0 | 0 | 0 | 0 | 0 | 114 | Y408 S409 E414 L637 | Y408-G412 PolarHBondContact O-N 3.32Å; S409-G412 PolarHBondContact O-N 2.81Å; G412-E414 PolarHBondContact O-N 3.18Å; G412-L637 VanDerWaalsContact CA-CD1 3.46Å; G412-L637 VanDerWaalsContact N-CD1 3.3Å |
| 413 | F | 85.5 | Confident | 90.4 | Very high | 9 Ų | 9 | 35.6 Ų | 35.6 | 4% | 0.039 | 18% | 0.183 | C | C | . | . | trans | -83.8 | 97.3 | 174.7 | -65.2 | -64.8 | 0 | 0 | 0 | 110.6 | Y408 F411 L470 F521 I524 L525 E528 | Y408-F413 PolarHBondContact O-N 3.15Å; F411-F413 HydrophobicContact CB-CD2 3.69Å; F411-F413 HydrophobicContact CB-CE2 3.69Å; F411-F413 HydrophobicContact CG-CE2 4.49Å; F413-L470 HydrophobicContact CB-CD2 3.63Å; F413-L470 HydrophobicContact CD2-CD1 4.36Å; F413-L470 HydrophobicContact CD2-CD2 4.38Å; F413-L470 HydrophobicContact CG-CD2 3.98Å; F413-F521 HydrophobicContact CE2-CE2 4.16Å; F413-F521 HydrophobicContact CE2-CZ 4.18Å; F413-I524 HydrophobicContact CE1-CG2 4.4Å; F413-I524 HydrophobicContact CZ-CG2 3.89Å; F413-L525 HydrophobicContact CE2-CD2 4.02Å; F413-L525 HydrophobicContact CZ-CD2 4.23Å; F413-E528 HydrophobicContact CE1-CG 3.95Å; F413-E528 HydrophobicContact CZ-CB 4.42Å; F413-E528 HydrophobicContact CZ-CG 4.08Å | ||
| 414 | E | 76.6 | Confident | 90.2 | Very high | 187 Ų | 187 | 36.5 Ų | 36.5 | 87% | 0.874 | 19% | 0.189 | S | C | * | . | trans | -89.6 | -31.6 | -179.3 | -63.2 | 178.4 | 176.9 | 0 | 0 | 113 | G412 I416 | G412-E414 PolarHBondContact O-N 3.18Å; E414-I416 PolarHBondContact O-N 3.07Å | ||
| 415 | K | 83.8 | Confident | 89.8 | Confident | 115 Ų | 115 | 45.8 Ų | 45.8 | 50% | 0.5 | 23% | 0.233 | S | C | . | . | trans | -95.1 | 96.8 | -176.3 | -171.2 | -179.3 | 176.9 | -172 | 0 | 111 | Y471 | K415-Y471 HydrophobicContact CD-CD2 4.29Å; K415-Y471 HydrophobicContact CD-CG 4.18Å; K415-Y471 HydrophobicContact CG-CD2 4.21Å; K415-Y471 PolarHBondContact O-N 2.91Å | ||
| 416 | I | 88.8 | Confident | 89.4 | Confident | 28 Ų | 28 | 50.5 Ų | 50.5 | 14% | 0.144 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.4 | 122.2 | 178.2 | -59.1 | 155.9 | 0 | 0 | 0 | 108.1 | Y405 Y408 E414 V418 F468 L470 | Y405-I416 HydrophobicContact CD1-CD1 3.56Å; Y405-I416 HydrophobicContact CE1-CB 4.37Å; Y405-I416 HydrophobicContact CE1-CD1 3.43Å; Y405-I416 VanDerWaalsContact CE1-CD1 3.43Å; Y405-I416 HydrophobicContact CE1-CG1 4.49Å; Y405-I416 HydrophobicContact CG-CD1 4.45Å; Y408-I416 HydrophobicContact CD2-CD1 3.72Å; Y408-I416 HydrophobicContact CD2-CG1 4.17Å; E414-I416 PolarHBondContact O-N 3.07Å; I416-V418 HydrophobicContact CG2-CG2 4.05Å; I416-F468 HydrophobicContact CG2-CB 4.24Å; I416-F468 HydrophobicContact CG2-CD1 4.06Å; I416-L470 HydrophobicContact CD1-CD2 4.47Å; I416-L470 HydrophobicContact CG1-CD2 3.7Å |
| 417 | V | 91.5 | Very high | 89 | Confident | 35 Ų | 35 | 52.2 Ų | 52.2 | 21% | 0.212 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.8 | 129 | 169.9 | 172.4 | 0 | 0 | 0 | 0 | 108 | K419 T469 Y471 | V417-K419 HydrophobicContact CG1-CG 4.42Å; V417-T469 PolarHBondContact N-O 2.63Å; V417-T469 WeakPolarHBondContact O-CA 3Å; V417-T469 WeakPolarHBondContact O-CB 3.4Å; V417-T469 PolarHBondContact O-N 3.48Å; V417-Y471 HydrophobicContact CB-CE2 3.94Å; V417-Y471 HydrophobicContact CG2-CD2 4.21Å; V417-Y471 HydrophobicContact CG2-CE2 3.43Å; V417-Y471 VanDerWaalsContact CG2-CE2 3.43Å |
| 418 | V | 93.9 | Very high | 88.5 | Confident | 1 Ų | 1 | 54.9 Ų | 54.9 | 1% | 0.006 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.8 | 134.3 | -178 | -175.5 | 0 | 0 | 0 | 0 | 109.6 | I416 L445 I450 F452 E453 I466 E467 F468 | I416-V418 HydrophobicContact CG2-CG2 4.05Å; V418-L445 HydrophobicContact CG1-CD1 4.24Å; V418-L445 HydrophobicContact CG1-CD2 3.71Å; V418-I450 HydrophobicContact CB-CG2 3.89Å; V418-I450 HydrophobicContact CG1-CG2 4.36Å; V418-I450 HydrophobicContact CG2-CG2 3.56Å; V418-F452 HydrophobicContact CB-CB 4.21Å; V418-F452 HydrophobicContact CG1-CB 4.21Å; V418-F452 WeakPolarHBondContact O-CA 3.3Å; V418-F452 WeakPolarHBondContact O-CB 3.15Å; V418-E453 PolarHBondContact O-N 2.89Å; V418-E453 VanDerWaalsContact O-N 3.07Å; V418-I466 HydrophobicContact CG1-CG2 3.45Å; V418-I466 VanDerWaalsContact CG1-CG2 3.45Å; V418-E467 WeakPolarHBondContact CA-O 3.38Å; V418-F468 HydrophobicContact CG1-CD1 4.48Å; V418-F468 HydrophobicContact CG1-CE1 4.3Å; V418-F468 HydrophobicContact CG2-CD1 3.69Å; V418-F468 HydrophobicContact CG2-CE1 3.91Å |
| 419 | K | 94 | Very high | 88 | Confident | 51 Ų | 51 | 56.9 Ų | 56.9 | 22% | 0.222 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.4 | 139.6 | 177.2 | -57.3 | -167.2 | 177.2 | -169 | 0 | 110.3 | V417 E453 Q455 I466 E467 | V417-K419 HydrophobicContact CG1-CG 4.42Å; K419-E453 CarbonylContact C-O 3.04Å; K419-E453 VanDerWaalsContact CA-O 3.26Å; K419-E453 WeakPolarHBondContact CA-O 3.22Å; K419-E453 WeakPolarHBondContact CE-OE2 3.11Å; K419-E453 HydrophobicContact CG-CB 4.44Å; K419-E453 IonicContact NZ-OE2 2.85Å; K419-Q455 HydrophobicContact CB-CG 4.14Å; K419-Q455 HydrophobicContact CD-CG 3.86Å; K419-I466 CarbonylContact O-C 3.53Å; K419-I466 WeakPolarHBondContact O-CA 3.43Å; K419-E467 HydrophobicContact CB-CB 4.48Å; K419-E467 PolarHBondContact N-O 2.83Å; K419-E467 PolarHBondContact O-N 3.15Å |
| 420 | L | 95.3 | Very high | 87.9 | Confident | 0 Ų | 0 | 56.1 Ų | 56.1 | 0% | 0 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.8 | 105.1 | 175.6 | -178 | 64.9 | 0 | 0 | 0 | 108.8 | L441 A442 L445 F452 E453 Y454 Q455 I466 | L420-L441 HydrophobicContact CD1-CB 3.58Å; L420-L441 HydrophobicContact CD1-CD1 3.81Å; L420-L441 HydrophobicContact CD1-CG 4.36Å; L420-A442 HydrophobicContact CD2-CB 3.94Å; L420-L445 HydrophobicContact CB-CD1 4.47Å; L420-F452 HydrophobicContact CB-CD2 3.84Å; L420-F452 HydrophobicContact CB-CE2 4.16Å; L420-F452 HydrophobicContact CD2-CD2 4.42Å; L420-F452 HydrophobicContact CD2-CE2 3.92Å; L420-E453 PolarHBondContact N-O 3.42Å; L420-Y454 HydrophobicContact CD2-CD1 4.17Å; L420-Y454 HydrophobicContact CD2-CE1 3.66Å; L420-Y454 HydrophobicContact CG-CE1 4.5Å; L420-Q455 PolarHBondContact O-N 2.78Å; L420-I466 HydrophobicContact CD1-CG1 3.99Å |
| 421 | S | 94.5 | Very high | 87.9 | Confident | 0 Ų | 0 | 58.5 Ų | 58.5 | 0% | 0 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.2 | 121.2 | 179.3 | -40.6 | 0 | 0 | 0 | 0 | 110.5 | Q455 P464 K465 | S421-Q455 WeakPolarHBondContact CA-O 3.43Å; S421-Q455 PolarHBondContact OG-OE1 2.83Å; S421-P464 WeakPolarHBondContact O-CA 3.41Å; S421-P464 WeakPolarHBondContact O-CB 3.41Å; S421-K465 PolarHBondContact N-O 3.18Å; S421-K465 PolarHBondContact O-N 2.79Å; S421-K465 WeakPolarHBondContact OG-CE 3.29Å |
| 422 | T | 92.7 | Very high | 88 | Confident | 10 Ų | 10 | 64.5 Ų | 64.5 | 6% | 0.061 | 33% | 0.327 | C | S | . | . | trans | -100.5 | 178.6 | -173.8 | 65.1 | 0 | 0 | 0 | 0 | 112.3 | E438 Y454 Q455 L456 E458 G459 | T422-E438 VanDerWaalsContact CB-OE1 3.29Å; T422-E438 WeakPolarHBondContact CB-OE1 3.44Å; T422-E438 HydrophobicContact CG2-CG 4.3Å; T422-Y454 HydrophobicContact CG2-CD1 3.82Å; T422-Y454 HydrophobicContact CG2-CE1 4.34Å; T422-Q455 PolarHBondContact N-O 2.73Å; T422-L456 WeakPolarHBondContact OG1-CA 3.28Å; T422-E458 PolarHBondContact O-N 3.49Å; T422-G459 VanDerWaalsContact O-CA 3.28Å; T422-G459 WeakPolarHBondContact O-CA 3.4Å; T422-G459 PolarHBondContact O-N 2.85Å | ||
| 423 | R | 91.8 | Very high | 88 | Confident | 52 Ų | 52 | 64.6 Ų | 64.6 | 20% | 0.196 | 32% | 0.318 | C | S | . | . | trans | -47.1 | 127.4 | -171.2 | 73.6 | -169.4 | 66.5 | -175.6 | 3.3 | 115.1 | W434 D435 E438 G457 | R423-W434 HydrophobicContact CB-CD2 3.75Å; R423-W434 HydrophobicContact CB-CE3 3.4Å; R423-W434 HydrophobicContact CB-CG 4.37Å; R423-W434 HydrophobicContact CB-CH2 4.15Å; R423-W434 HydrophobicContact CB-CZ2 4.5Å; R423-W434 HydrophobicContact CB-CZ3 3.62Å; R423-W434 VanDerWaalsContact CZ-CB 3.49Å; R423-W434 VanDerWaalsContact NH2-C 3.33Å; R423-D435 IonicContact CZ-OD1 3.5Å; R423-D435 VanDerWaalsContact CZ-OD1 3.26Å; R423-D435 IonicContact NH1-OD1 3.64Å; R423-D435 PolarHBondContact NH1-OD1 2.87Å; R423-D435 VanDerWaalsContact NH2-N 3.19Å; R423-D435 IonicContact NH2-OD1 3.01Å; R423-D435 PolarHBondContact NH2-OD1 3.29Å; R423-E438 WeakPolarHBondContact CB-OE1 3.33Å; R423-E438 IonicContact CZ-OE1 3.6Å; R423-E438 IonicContact CZ-OE2 2.76Å; R423-E438 PolarHBondContact N-OE1 3.09Å; R423-E438 IonicContact NE-OE1 3.61Å; R423-E438 PolarHBondContact NE-OE1 3.14Å; R423-E438 IonicContact NE-OE2 2.71Å; R423-E438 PolarHBondContact NE-OE2 2.94Å; R423-E438 IonicContact NH2-OE1 2.74Å; R423-E438 IonicContact NH2-OE2 3.53Å; R423-E438 PolarHBondContact NH2-OE2 2.89Å; R423-G457 WeakPolarHBondContact O-CA 3.41Å | ||
| 424 | P | 90.1 | Very high | 88.3 | Confident | 19 Ų | 19 | 64.2 Ų | 64.2 | 12% | 0.123 | 32% | 0.316 | C | S | . | . | trans | -77.6 | 166.7 | 170.6 | 33.4 | -35.2 | 0 | 0 | 0 | 111.3 | K426 R427 G457 G459 | P424-K426 VanDerWaalsContact C-N 3.34Å; P424-K426 WeakPolarHBondContact CG-O 3.37Å; P424-K426 PolarHBondContact O-N 3.15Å; P424-R427 HydrophobicContact CG-CB 4.2Å; P424-R427 WeakPolarHBondContact O-CD 3.32Å; P424-G457 WeakPolarHBondContact CB-O 3.42Å; P424-G459 WeakPolarHBondContact CG-O 3.27Å | ||
| 425 | E | 86.7 | Confident | 89 | Confident | 195 Ų | 195 | 59.5 Ų | 59.5 | 91% | 0.911 | 30% | 0.297 | S | S | * | . | S | Bend | trans | -60.7 | -42.3 | 175.9 | -170.2 | -177.4 | -178 | 0 | 0 | 111.9 | ||
| 426 | K | 83.1 | Confident | 89.1 | Confident | 176 Ų | 176 | 60.5 Ų | 60.5 | 77% | 0.765 | 30% | 0.298 | S | S | * | . | S | Bend | trans | -96.1 | 104.6 | 174.6 | -66.1 | -176.6 | -178 | 179.3 | 0 | 110.5 | P424 F461 | P424-K426 VanDerWaalsContact C-N 3.34Å; P424-K426 WeakPolarHBondContact CG-O 3.37Å; P424-K426 PolarHBondContact O-N 3.15Å; K426-F461 WeakPolarHBondContact O-CB 3.4Å |
| 427 | R | 83.3 | Confident | 89.2 | Confident | 76 Ų | 76 | 59.1 Ų | 59.1 | 29% | 0.287 | 29% | 0.291 | S | S | . | . | trans | -143.1 | 163.2 | -177.3 | 62.7 | -173 | 168.5 | 96.3 | 5.5 | 113.8 | P424 D431 W434 F461 | P424-R427 HydrophobicContact CG-CB 4.2Å; P424-R427 WeakPolarHBondContact O-CD 3.32Å; R427-D431 IonicContact CZ-OD1 3.78Å; R427-D431 IonicContact NH1-OD1 3.69Å; R427-D431 PolarHBondContact NH1-OD1 2.89Å; R427-D431 IonicContact NH2-OD1 2.69Å; R427-D431 PolarHBondContact NH2-OD1 3.45Å; R427-D431 IonicContact NH2-OD2 2.89Å; R427-W434 HydrophobicContact CB-CZ2 3.79Å; R427-W434 VanDerWaalsContact NH1-CD1 3.26Å; R427-F461 CarbonylContact C-O 3.48Å; R427-F461 WeakPolarHBondContact CA-O 3.47Å | ||
| 428 | I | 81.8 | Confident | 89.2 | Confident | 57 Ų | 57 | 59 Ų | 59 | 29% | 0.292 | 29% | 0.288 | S | S | . | . | trans | -111.9 | 148.4 | 174.3 | -55.3 | 175.2 | 0 | 0 | 0 | 108.4 | W434 F461 | I428-W434 PolarHBondContact O-NE1 3.37Å; I428-F461 HydrophobicContact CD1-CD2 3.66Å; I428-F461 HydrophobicContact CD1-CE2 3.76Å; I428-F461 HydrophobicContact CG1-CD2 4.09Å; I428-F461 PolarHBondContact N-O 3.19Å | ||
| 429 | G | 81.4 | Confident | 89.1 | Confident | 42 Ų | 42 | 61.2 Ų | 61.2 | 43% | 0.433 | 31% | 0.307 | S | S | . | . | S | Bend | trans | 99.2 | 167 | -178.7 | 0 | 0 | 0 | 0 | 0 | 112.9 | ||
| 430 | S | 86.9 | Confident | 88.9 | Confident | 57 Ų | 57 | 60.9 Ų | 60.9 | 40% | 0.399 | 31% | 0.307 | S | S | . | . | trans | -83.1 | 164.1 | -178.7 | 83.2 | 0 | 0 | 0 | 0 | 112 | E432 M433 W434 | S430-E432 VanDerWaalsContact C-N 3.28Å; S430-E432 WeakPolarHBondContact CB-OE2 3.4Å; S430-E432 PolarHBondContact O-N 3.11Å; S430-E432 PolarHBondContact OG-OE2 2.91Å; S430-M433 WeakPolarHBondContact O-CB 3.31Å; S430-M433 PolarHBondContact O-N 3.28Å; S430-M433 PolarHBondContact OG-N 3.1Å; S430-W434 VanDerWaalsContact O-CD1 3.32Å; S430-W434 PolarHBondContact O-N 2.66Å | ||
| 431 | D | 90.8 | Very high | 88.8 | Confident | 80 Ų | 80 | 60.9 Ų | 60.9 | 43% | 0.428 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -64.2 | -37.3 | 178.7 | -74.7 | 5.9 | 0 | 0 | 0 | 111.4 | R427 M433 W434 D435 | R427-D431 IonicContact CZ-OD1 3.78Å; R427-D431 IonicContact NH1-OD1 3.69Å; R427-D431 PolarHBondContact NH1-OD1 2.89Å; R427-D431 IonicContact NH2-OD1 2.69Å; R427-D431 PolarHBondContact NH2-OD1 3.45Å; R427-D431 IonicContact NH2-OD2 2.89Å; D431-M433 VanDerWaalsContact C-N 3.33Å; D431-M433 PolarHBondContact O-N 3.22Å; D431-W434 PolarHBondContact O-N 2.74Å; D431-D435 WeakPolarHBondContact O-CB 3.43Å; D431-D435 PolarHBondContact O-N 3.1Å |
| 432 | E | 90 | Very high | 88.7 | Confident | 129 Ų | 129 | 61.2 Ų | 61.2 | 60% | 0.603 | 31% | 0.31 | S | S | * | . | H | α-helix | trans | -65 | -37.6 | 178.5 | -54.2 | 77.1 | -169.6 | 0 | 0 | 111.9 | S430 R436 | S430-E432 VanDerWaalsContact C-N 3.28Å; S430-E432 WeakPolarHBondContact CB-OE2 3.4Å; S430-E432 PolarHBondContact O-N 3.11Å; S430-E432 PolarHBondContact OG-OE2 2.91Å; E432-R436 WeakPolarHBondContact O-CB 3.43Å; E432-R436 PolarHBondContact O-N 2.82Å |
| 433 | M | 86.5 | Confident | 88.7 | Confident | 38 Ų | 38 | 63.2 Ų | 63.2 | 19% | 0.187 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -64.5 | -43.6 | 175 | -175.8 | -161.7 | 85.1 | 0 | 0 | 110.7 | S430 D431 A437 F487 | S430-M433 WeakPolarHBondContact O-CB 3.31Å; S430-M433 PolarHBondContact O-N 3.28Å; S430-M433 PolarHBondContact OG-N 3.1Å; D431-M433 VanDerWaalsContact C-N 3.33Å; D431-M433 PolarHBondContact O-N 3.22Å; M433-A437 VanDerWaalsContact O-CB 3.27Å; M433-A437 WeakPolarHBondContact O-CB 3.13Å; M433-A437 PolarHBondContact O-N 2.9Å; M433-F487 HydrophobicContact CE-CB 4.07Å; M433-F487 HydrophobicContact CE-CD2 4.31Å; M433-F487 HydrophobicContact CE-CG 4.45Å; M433-F487 HydrophobicContact CG-CB 4.1Å; M433-F487 HydrophobicContact CG-CD1 4.26Å; M433-F487 HydrophobicContact CG-CD2 4.18Å; M433-F487 HydrophobicContact CG-CG 3.93Å; M433-F487 HydrophobicContact SD-CB 3.39Å; M433-F487 WeakPolarHBondContact SD-CB 3.46Å; M433-F487 HydrophobicContact SD-CD2 4.31Å; M433-F487 HydrophobicContact SD-CG 3.89Å |
| 434 | W | 90.5 | Very high | 88.7 | Confident | 0 Ų | 0 | 60.7 Ų | 60.7 | 0% | 0 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -67.7 | -41.3 | 177.2 | -85.9 | 92.4 | 0 | 0 | 0 | 112.3 | R423 R427 I428 S430 D431 R436 A437 E438 A460 G463 P464 | R423-W434 HydrophobicContact CB-CD2 3.75Å; R423-W434 HydrophobicContact CB-CE3 3.4Å; R423-W434 HydrophobicContact CB-CG 4.37Å; R423-W434 HydrophobicContact CB-CH2 4.15Å; R423-W434 HydrophobicContact CB-CZ2 4.5Å; R423-W434 HydrophobicContact CB-CZ3 3.62Å; R423-W434 VanDerWaalsContact CZ-CB 3.49Å; R423-W434 VanDerWaalsContact NH2-C 3.33Å; R427-W434 HydrophobicContact CB-CZ2 3.79Å; R427-W434 VanDerWaalsContact NH1-CD1 3.26Å; I428-W434 PolarHBondContact O-NE1 3.37Å; S430-W434 VanDerWaalsContact O-CD1 3.32Å; S430-W434 PolarHBondContact O-N 2.66Å; D431-W434 PolarHBondContact O-N 2.74Å; W434-R436 VanDerWaalsContact C-N 3.34Å; W434-R436 PolarHBondContact O-N 3.12Å; W434-A437 PolarHBondContact O-N 2.99Å; W434-E438 HydrophobicContact CE3-CG 4.44Å; W434-E438 WeakPolarHBondContact O-CB 3.37Å; W434-E438 VanDerWaalsContact O-CG 3.27Å; W434-E438 WeakPolarHBondContact O-CG 3.39Å; W434-E438 PolarHBondContact O-N 2.82Å; W434-A460 WeakPolarHBondContact CH2-O 3.34Å; W434-G463 VanDerWaalsContact CZ3-C 3.43Å; W434-P464 HydrophobicContact CE3-CB 4.45Å; W434-P464 HydrophobicContact CE3-CG 4.4Å; W434-P464 HydrophobicContact CZ3-CB 4Å; W434-P464 HydrophobicContact CZ3-CG 4.27Å; W434-P464 VanDerWaalsContact CZ3-N 3.3Å |
| 435 | D | 91 | Very high | 88.9 | Confident | 88 Ų | 88 | 59.8 Ų | 59.8 | 47% | 0.471 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -59.1 | -46.7 | 175.9 | -68 | -16.8 | 0 | 0 | 0 | 110.3 | R423 D431 A439 | R423-D435 IonicContact CZ-OD1 3.5Å; R423-D435 VanDerWaalsContact CZ-OD1 3.26Å; R423-D435 IonicContact NH1-OD1 3.64Å; R423-D435 PolarHBondContact NH1-OD1 2.87Å; R423-D435 VanDerWaalsContact NH2-N 3.19Å; R423-D435 IonicContact NH2-OD1 3.01Å; R423-D435 PolarHBondContact NH2-OD1 3.29Å; D431-D435 WeakPolarHBondContact O-CB 3.43Å; D431-D435 PolarHBondContact O-N 3.1Å; D435-A439 VanDerWaalsContact O-CB 3.26Å; D435-A439 WeakPolarHBondContact O-CB 3.5Å; D435-A439 PolarHBondContact O-N 3Å |
| 436 | R | 87.6 | Confident | 89.2 | Confident | 136 Ų | 136 | 56.1 Ų | 56.1 | 51% | 0.513 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -63.2 | -48.9 | 176.8 | -172.8 | -179.9 | -62.8 | 173.6 | 1.8 | 111.6 | E390 E432 W434 E438 A439 D440 | E390-R436 IonicContact OE2-NH1 2.81Å; E390-R436 PolarHBondContact OE2-NH1 2.9Å; E432-R436 WeakPolarHBondContact O-CB 3.43Å; E432-R436 PolarHBondContact O-N 2.82Å; W434-R436 VanDerWaalsContact C-N 3.34Å; W434-R436 PolarHBondContact O-N 3.12Å; R436-E438 PolarHBondContact O-N 3.21Å; R436-A439 PolarHBondContact O-N 2.99Å; R436-D440 WeakPolarHBondContact O-CB 3.38Å; R436-D440 VanDerWaalsContact O-CG 3.24Å; R436-D440 PolarHBondContact O-N 2.78Å |
| 437 | A | 89.5 | Confident | 89.6 | Confident | 0 Ų | 0 | 51.4 Ų | 51.4 | 0% | 0 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -61.5 | -41.5 | -179.1 | 0 | 0 | 0 | 0 | 0 | 112.8 | M433 W434 L441 P464 L485 F487 | M433-A437 VanDerWaalsContact O-CB 3.27Å; M433-A437 WeakPolarHBondContact O-CB 3.13Å; M433-A437 PolarHBondContact O-N 2.9Å; W434-A437 PolarHBondContact O-N 2.99Å; A437-L441 WeakPolarHBondContact O-CG 2.98Å; A437-L441 PolarHBondContact O-N 3.29Å; A437-P464 HydrophobicContact CB-CG 3.56Å; A437-L485 HydrophobicContact CB-CD1 4.06Å; A437-F487 HydrophobicContact CB-CD2 4.36Å; A437-F487 HydrophobicContact CB-CE2 3.45Å; A437-F487 VanDerWaalsContact CB-CE2 3.45Å; A437-F487 HydrophobicContact CB-CZ 4.01Å |
| 438 | E | 92.3 | Very high | 90 | Very high | 31 Ų | 31 | 50.3 Ų | 50.3 | 15% | 0.145 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -67.6 | -40.4 | 176.7 | -72.6 | 170.2 | 178.2 | 0 | 0 | 111.2 | T422 R423 W434 R436 A442 P464 | T422-E438 VanDerWaalsContact CB-OE1 3.29Å; T422-E438 WeakPolarHBondContact CB-OE1 3.44Å; T422-E438 HydrophobicContact CG2-CG 4.3Å; R423-E438 WeakPolarHBondContact CB-OE1 3.33Å; R423-E438 IonicContact CZ-OE1 3.6Å; R423-E438 IonicContact CZ-OE2 2.76Å; R423-E438 PolarHBondContact N-OE1 3.09Å; R423-E438 IonicContact NE-OE1 3.61Å; R423-E438 PolarHBondContact NE-OE1 3.14Å; R423-E438 IonicContact NE-OE2 2.71Å; R423-E438 PolarHBondContact NE-OE2 2.94Å; R423-E438 IonicContact NH2-OE1 2.74Å; R423-E438 IonicContact NH2-OE2 3.53Å; R423-E438 PolarHBondContact NH2-OE2 2.89Å; W434-E438 HydrophobicContact CE3-CG 4.44Å; W434-E438 WeakPolarHBondContact O-CB 3.37Å; W434-E438 VanDerWaalsContact O-CG 3.27Å; W434-E438 WeakPolarHBondContact O-CG 3.39Å; W434-E438 PolarHBondContact O-N 2.82Å; R436-E438 PolarHBondContact O-N 3.21Å; E438-A442 WeakPolarHBondContact O-CB 3.42Å; E438-A442 PolarHBondContact O-N 3.24Å; E438-P464 HydrophobicContact CG-CB 3.88Å; E438-P464 HydrophobicContact CG-CG 4.06Å |
| 439 | A | 91.3 | Very high | 90.5 | Very high | 49 Ų | 49 | 54.6 Ų | 54.6 | 41% | 0.405 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -64.9 | -45.6 | 176 | 0 | 0 | 0 | 0 | 0 | 112.3 | D435 R436 L441 A442 V443 | D435-A439 VanDerWaalsContact O-CB 3.26Å; D435-A439 WeakPolarHBondContact O-CB 3.5Å; D435-A439 PolarHBondContact O-N 3Å; R436-A439 PolarHBondContact O-N 2.99Å; A439-L441 VanDerWaalsContact C-N 3.31Å; A439-L441 PolarHBondContact O-N 2.74Å; A439-A442 PolarHBondContact O-N 3.26Å; A439-V443 WeakPolarHBondContact O-CB 3.39Å; A439-V443 VanDerWaalsContact O-CG2 3.3Å; A439-V443 WeakPolarHBondContact O-CG2 3.5Å; A439-V443 PolarHBondContact O-N 3.11Å |
| 440 | D | 89.2 | Confident | 91 | Very high | 44 Ų | 44 | 53.3 Ų | 53.3 | 24% | 0.235 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -60.3 | -41 | -179.9 | -71.6 | -23.8 | 0 | 0 | 0 | 111.6 | I393 R436 A444 | I393-D440 HydrophobicContact CG2-CB 4.29Å; R436-D440 WeakPolarHBondContact O-CB 3.38Å; R436-D440 VanDerWaalsContact O-CG 3.24Å; R436-D440 PolarHBondContact O-N 2.78Å; D440-A444 WeakPolarHBondContact O-CB 3.45Å; D440-A444 PolarHBondContact O-N 3.29Å; D440-A444 VanDerWaalsContact O-N 3.1Å |
| 441 | L | 93.4 | Very high | 91.2 | Very high | 0 Ų | 0 | 56.1 Ų | 56.1 | 0% | 0 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -69.5 | -40.5 | 176 | -67.7 | -178.5 | 0 | 0 | 0 | 112.5 | V397 L420 A437 A439 L445 P464 I466 L485 | V397-L441 HydrophobicContact CG1-CD2 3.99Å; V397-L441 HydrophobicContact CG2-CD2 3.88Å; L420-L441 HydrophobicContact CD1-CB 3.58Å; L420-L441 HydrophobicContact CD1-CD1 3.81Å; L420-L441 HydrophobicContact CD1-CG 4.36Å; A437-L441 WeakPolarHBondContact O-CG 2.98Å; A437-L441 PolarHBondContact O-N 3.29Å; A439-L441 VanDerWaalsContact C-N 3.31Å; A439-L441 PolarHBondContact O-N 2.74Å; L441-L445 WeakPolarHBondContact O-CG 3.26Å; L441-L445 PolarHBondContact O-N 2.73Å; L441-P464 HydrophobicContact CD1-CB 3.84Å; L441-P464 HydrophobicContact CD1-CG 3.72Å; L441-I466 HydrophobicContact CB-CD1 4.17Å; L441-I466 HydrophobicContact CB-CG1 4.14Å; L441-I466 HydrophobicContact CD1-CG1 4.24Å; L441-I466 HydrophobicContact CD2-CD1 3.79Å; L441-I466 HydrophobicContact CD2-CG1 4.03Å; L441-I466 HydrophobicContact CG-CD1 4.46Å; L441-I466 HydrophobicContact CG-CG1 4.36Å; L441-L485 HydrophobicContact CD1-CD1 4.21Å; L441-L485 HydrophobicContact CD1-CG 4.23Å; L441-L485 HydrophobicContact CD2-CD1 3.86Å; L441-L485 HydrophobicContact CD2-CD2 4.34Å; L441-L485 HydrophobicContact CD2-CG 3.87Å; L441-L485 HydrophobicContact CG-CD1 3.74Å; L441-L485 HydrophobicContact CG-CG 4.11Å |
| 442 | A | 93.6 | Very high | 91.4 | Very high | 7 Ų | 7 | 54.4 Ų | 54.4 | 6% | 0.058 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -64.2 | -47.1 | 177.4 | 0 | 0 | 0 | 0 | 0 | 111.6 | L420 E438 A439 A444 L445 E446 F452 | L420-A442 HydrophobicContact CD2-CB 3.94Å; E438-A442 WeakPolarHBondContact O-CB 3.42Å; E438-A442 PolarHBondContact O-N 3.24Å; A439-A442 PolarHBondContact O-N 3.26Å; A442-A444 VanDerWaalsContact C-N 3.34Å; A442-A444 PolarHBondContact O-N 2.88Å; A442-L445 WeakPolarHBondContact O-CB 3.34Å; A442-L445 PolarHBondContact O-N 3.03Å; A442-L445 VanDerWaalsContact O-N 3.09Å; A442-E446 WeakPolarHBondContact O-CG 3.49Å; A442-E446 PolarHBondContact O-N 3.38Å; A442-F452 HydrophobicContact CB-CZ 4.04Å |
| 443 | V | 92.4 | Very high | 91.5 | Very high | 51 Ų | 51 | 53.5 Ų | 53.5 | 31% | 0.309 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -61 | -41.9 | 177.9 | 169.8 | 0 | 0 | 0 | 0 | 111.2 | A439 L445 E446 E447 | A439-V443 WeakPolarHBondContact O-CB 3.39Å; A439-V443 VanDerWaalsContact O-CG2 3.3Å; A439-V443 WeakPolarHBondContact O-CG2 3.5Å; A439-V443 PolarHBondContact O-N 3.11Å; V443-L445 VanDerWaalsContact C-N 3.28Å; V443-L445 PolarHBondContact O-N 3.12Å; V443-E446 PolarHBondContact O-N 3.25Å; V443-E447 HydrophobicContact CG1-CG 4.41Å; V443-E447 WeakPolarHBondContact CG1-OE1 3.46Å; V443-E447 WeakPolarHBondContact O-CB 3.36Å; V443-E447 WeakPolarHBondContact O-CG 3.43Å; V443-E447 PolarHBondContact O-N 3.5Å |
| 444 | A | 92.5 | Very high | 91.9 | Very high | 0 Ų | 0 | 58.1 Ų | 58.1 | 0% | 0 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -60.7 | -37.2 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | V397 I401 D440 A442 N448 | V397-A444 HydrophobicContact CB-CB 4.3Å; V397-A444 HydrophobicContact CG1-CB 3.62Å; I401-A444 HydrophobicContact CD1-CB 4.25Å; D440-A444 WeakPolarHBondContact O-CB 3.45Å; D440-A444 PolarHBondContact O-N 3.29Å; D440-A444 VanDerWaalsContact O-N 3.1Å; A442-A444 VanDerWaalsContact C-N 3.34Å; A442-A444 PolarHBondContact O-N 2.88Å; A444-N448 PolarHBondContact O-N 3.27Å; A444-N448 PolarHBondContact O-ND2 3.42Å |
| 445 | L | 93.7 | Very high | 91.9 | Very high | 0 Ų | 0 | 60.4 Ų | 60.4 | 0% | 0 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -69.7 | -43.6 | 175.8 | -69.7 | 169 | 0 | 0 | 0 | 112.3 | I401 V418 L420 L441 A442 V443 E447 N448 N449 I450 F452 I466 | I401-L445 HydrophobicContact CD1-CD2 4.25Å; V418-L445 HydrophobicContact CG1-CD1 4.24Å; V418-L445 HydrophobicContact CG1-CD2 3.71Å; L420-L445 HydrophobicContact CB-CD1 4.47Å; L441-L445 WeakPolarHBondContact O-CG 3.26Å; L441-L445 PolarHBondContact O-N 2.73Å; A442-L445 WeakPolarHBondContact O-CB 3.34Å; A442-L445 PolarHBondContact O-N 3.03Å; A442-L445 VanDerWaalsContact O-N 3.09Å; V443-L445 VanDerWaalsContact C-N 3.28Å; V443-L445 PolarHBondContact O-N 3.12Å; L445-E447 PolarHBondContact O-N 3.08Å; L445-N448 PolarHBondContact O-N 3.33Å; L445-N449 PolarHBondContact O-N 3.11Å; L445-I450 HydrophobicContact CD2-CB 4.23Å; L445-I450 HydrophobicContact CD2-CD1 4.29Å; L445-I450 HydrophobicContact CD2-CG2 4.06Å; L445-I450 PolarHBondContact O-N 3.32Å; L445-F452 HydrophobicContact CB-CD1 3.67Å; L445-F452 HydrophobicContact CB-CE1 3.9Å; L445-F452 HydrophobicContact CB-CG 4.39Å; L445-F452 HydrophobicContact CD1-CB 3.96Å; L445-F452 HydrophobicContact CD1-CD1 3.81Å; L445-F452 HydrophobicContact CD1-CD2 4.03Å; L445-F452 HydrophobicContact CD1-CE1 4.31Å; L445-F452 HydrophobicContact CD1-CE2 4.49Å; L445-F452 HydrophobicContact CD1-CG 3.67Å; L445-F452 HydrophobicContact CG-CD1 4.35Å; L445-I466 HydrophobicContact CD1-CD1 4.08Å; L445-I466 HydrophobicContact CD1-CG1 4.13Å; L445-I466 HydrophobicContact CD1-CG2 4.38Å; L445-I466 HydrophobicContact CD2-CD1 4.03Å; L445-I466 HydrophobicContact CD2-CG2 4.06Å; L445-I466 HydrophobicContact CG-CD1 3.9Å; L445-I466 HydrophobicContact CG-CG1 4.49Å |
| 446 | E | 93.4 | Very high | 91.9 | Very high | 117 Ų | 117 | 63 Ų | 63 | 55% | 0.547 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -60.9 | -42.7 | 178.1 | -70.9 | 174.1 | 179.7 | 0 | 0 | 111.9 | A442 V443 N448 N449 F452 | A442-E446 WeakPolarHBondContact O-CG 3.49Å; A442-E446 PolarHBondContact O-N 3.38Å; V443-E446 PolarHBondContact O-N 3.25Å; E446-N448 VanDerWaalsContact C-N 3.31Å; E446-N448 PolarHBondContact O-N 3.18Å; E446-N449 WeakPolarHBondContact O-CA 3.49Å; E446-N449 PolarHBondContact O-N 3.37Å; E446-F452 HydrophobicContact CG-CE1 4.12Å |
| 447 | E | 91.1 | Very high | 92.1 | Very high | 77 Ų | 77 | 58.3 Ų | 58.3 | 36% | 0.36 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -66.2 | -31.5 | 179.9 | -76.2 | 171.6 | -171.3 | 0 | 0 | 114 | R394 V443 L445 N449 | R394-E447 IonicContact CZ-OE1 2.68Å; R394-E447 IonicContact CZ-OE2 2.97Å; R394-E447 VanDerWaalsContact NE-CD 3.3Å; R394-E447 IonicContact NE-OE1 2.8Å; R394-E447 PolarHBondContact NE-OE1 2.81Å; R394-E447 VanDerWaalsContact NE-OE1 3.1Å; R394-E447 IonicContact NE-OE2 2.65Å; R394-E447 PolarHBondContact NE-OE2 3.23Å; R394-E447 IonicContact NH1-OE1 3.1Å; R394-E447 IonicContact NH2-OE1 2.71Å; R394-E447 PolarHBondContact NH2-OE1 3.35Å; R394-E447 IonicContact NH2-OE2 2.96Å; R394-E447 PolarHBondContact NH2-OE2 3.3Å; V443-E447 HydrophobicContact CG1-CG 4.41Å; V443-E447 WeakPolarHBondContact CG1-OE1 3.46Å; V443-E447 WeakPolarHBondContact O-CB 3.36Å; V443-E447 WeakPolarHBondContact O-CG 3.43Å; V443-E447 PolarHBondContact O-N 3.5Å; L445-E447 PolarHBondContact O-N 3.08Å; E447-N449 PolarHBondContact O-N 3.32Å |
| 448 | N | 90.4 | Very high | 92 | Very high | 54 Ų | 54 | 63.8 Ų | 63.8 | 29% | 0.289 | 34% | 0.338 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -83.5 | 5.1 | 172.9 | -70.1 | -85.5 | 0 | 0 | 0 | 112.5 | N398 I401 A444 L445 E446 I450 | N398-N448 PolarHBondContact OD1-ND2 2.87Å; I401-N448 HydrophobicContact CG2-CB 4.39Å; A444-N448 PolarHBondContact O-N 3.27Å; A444-N448 PolarHBondContact O-ND2 3.42Å; L445-N448 PolarHBondContact O-N 3.33Å; E446-N448 VanDerWaalsContact C-N 3.31Å; E446-N448 PolarHBondContact O-N 3.18Å; N448-I450 HydrophobicContact CB-CD1 3.58Å; N448-I450 HydrophobicContact CB-CG1 3.81Å; N448-I450 PolarHBondContact O-N 2.94Å |
| 449 | N | 92.1 | Very high | 91.8 | Very high | 147 Ų | 147 | 62.8 Ų | 62.8 | 79% | 0.786 | 34% | 0.335 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 53.7 | 38.6 | -175.2 | -60.2 | -79.6 | 0 | 0 | 0 | 112.7 | L445 E446 E447 P451 | L445-N449 PolarHBondContact O-N 3.11Å; E446-N449 WeakPolarHBondContact O-CA 3.49Å; E446-N449 PolarHBondContact O-N 3.37Å; E447-N449 PolarHBondContact O-N 3.32Å; N449-P451 WeakPolarHBondContact O-CD 3.27Å |
| 450 | I | 91.8 | Very high | 91.5 | Very high | 15 Ų | 15 | 61.2 Ų | 61.2 | 8% | 0.077 | 32% | 0.322 | C | S | . | . | trans | -96 | 115.7 | -179 | -63.9 | 169.5 | 0 | 0 | 0 | 108.7 | I401 Y405 V418 L445 N448 | I401-I450 HydrophobicContact CG2-CD1 3.42Å; I401-I450 VanDerWaalsContact CG2-CD1 3.42Å; Y405-I450 HydrophobicContact CE2-CD1 3.57Å; Y405-I450 HydrophobicContact CE2-CG1 4.34Å; V418-I450 HydrophobicContact CB-CG2 3.89Å; V418-I450 HydrophobicContact CG1-CG2 4.36Å; V418-I450 HydrophobicContact CG2-CG2 3.56Å; L445-I450 HydrophobicContact CD2-CB 4.23Å; L445-I450 HydrophobicContact CD2-CD1 4.29Å; L445-I450 HydrophobicContact CD2-CG2 4.06Å; L445-I450 PolarHBondContact O-N 3.32Å; N448-I450 HydrophobicContact CB-CD1 3.58Å; N448-I450 HydrophobicContact CB-CG1 3.81Å; N448-I450 PolarHBondContact O-N 2.94Å | ||
| 451 | P | 92.7 | Very high | 91.1 | Very high | 115 Ų | 115 | 60.2 Ų | 60.2 | 75% | 0.747 | 32% | 0.316 | S | S | * | . | trans | -67.9 | 134.2 | 172 | 28.2 | -32.9 | 0 | 0 | 0 | 110.2 | N449 | N449-P451 WeakPolarHBondContact O-CD 3.27Š| ||
| 452 | F | 93.8 | Very high | 90.5 | Very high | 45 Ų | 45 | 61.2 Ų | 61.2 | 20% | 0.197 | 32% | 0.32 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.5 | 157.8 | -179.4 | 68.2 | -85 | 0 | 0 | 0 | 113 | V418 L420 A442 L445 E446 Y454 | V418-F452 HydrophobicContact CB-CB 4.21Å; V418-F452 HydrophobicContact CG1-CB 4.21Å; V418-F452 WeakPolarHBondContact O-CA 3.3Å; V418-F452 WeakPolarHBondContact O-CB 3.15Å; L420-F452 HydrophobicContact CB-CD2 3.84Å; L420-F452 HydrophobicContact CB-CE2 4.16Å; L420-F452 HydrophobicContact CD2-CD2 4.42Å; L420-F452 HydrophobicContact CD2-CE2 3.92Å; A442-F452 HydrophobicContact CB-CZ 4.04Å; L445-F452 HydrophobicContact CB-CD1 3.67Å; L445-F452 HydrophobicContact CB-CE1 3.9Å; L445-F452 HydrophobicContact CB-CG 4.39Å; L445-F452 HydrophobicContact CD1-CB 3.96Å; L445-F452 HydrophobicContact CD1-CD1 3.81Å; L445-F452 HydrophobicContact CD1-CD2 4.03Å; L445-F452 HydrophobicContact CD1-CE1 4.31Å; L445-F452 HydrophobicContact CD1-CE2 4.49Å; L445-F452 HydrophobicContact CD1-CG 3.67Å; L445-F452 HydrophobicContact CG-CD1 4.35Å; E446-F452 HydrophobicContact CG-CE1 4.12Å; F452-Y454 HydrophobicContact CE2-CD2 4.18Å; F452-Y454 HydrophobicContact CE2-CE1 4.16Å; F452-Y454 AromaticContact CE2-CE2 3.64Å; F452-Y454 HydrophobicContact CE2-CE2 3.64Å; F452-Y454 AromaticContact CE2-CZ 3.63Å; F452-Y454 HydrophobicContact CZ-CE2 4.23Å |
| 453 | E | 93.6 | Very high | 90.2 | Very high | 110 Ų | 110 | 60.9 Ų | 60.9 | 51% | 0.514 | 32% | 0.317 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.5 | 139.2 | 175 | -64.7 | 172.5 | 179.3 | 0 | 0 | 110.4 | V418 K419 L420 | V418-E453 PolarHBondContact O-N 2.89Å; V418-E453 VanDerWaalsContact O-N 3.07Å; K419-E453 CarbonylContact C-O 3.04Å; K419-E453 VanDerWaalsContact CA-O 3.26Å; K419-E453 WeakPolarHBondContact CA-O 3.22Å; K419-E453 WeakPolarHBondContact CE-OE2 3.11Å; K419-E453 HydrophobicContact CG-CB 4.44Å; K419-E453 IonicContact NZ-OE2 2.85Å; L420-E453 PolarHBondContact N-O 3.42Å |
| 454 | Y | 93.4 | Very high | 90.3 | Very high | 134 Ų | 134 | 58.5 Ų | 58.5 | 53% | 0.525 | 30% | 0.303 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.2 | 135.4 | 171.7 | -74.4 | -86.4 | 0 | 0 | 0 | 111.2 | L420 T422 F452 | L420-Y454 HydrophobicContact CD2-CD1 4.17Å; L420-Y454 HydrophobicContact CD2-CE1 3.66Å; L420-Y454 HydrophobicContact CG-CE1 4.5Å; T422-Y454 HydrophobicContact CG2-CD1 3.82Å; T422-Y454 HydrophobicContact CG2-CE1 4.34Å; F452-Y454 HydrophobicContact CE2-CD2 4.18Å; F452-Y454 HydrophobicContact CE2-CE1 4.16Å; F452-Y454 AromaticContact CE2-CE2 3.64Å; F452-Y454 HydrophobicContact CE2-CE2 3.64Å; F452-Y454 AromaticContact CE2-CZ 3.63Å; F452-Y454 HydrophobicContact CZ-CE2 4.23Å |
| 455 | Q | 91.3 | Very high | 90.3 | Very high | 48 Ų | 48 | 60.1 Ų | 60.1 | 22% | 0.224 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.5 | 94.6 | 168.5 | -74.3 | -177.6 | -58.1 | 0 | 0 | 109.9 | K419 L420 S421 T422 G457 E458 E467 | K419-Q455 HydrophobicContact CB-CG 4.14Å; K419-Q455 HydrophobicContact CD-CG 3.86Å; L420-Q455 PolarHBondContact O-N 2.78Å; S421-Q455 WeakPolarHBondContact CA-O 3.43Å; S421-Q455 PolarHBondContact OG-OE1 2.83Å; T422-Q455 PolarHBondContact N-O 2.73Å; Q455-G457 PolarHBondContact O-N 2.79Å; Q455-E458 HydrophobicContact CB-CB 4.01Å; Q455-E458 HydrophobicContact CB-CG 4.12Å; Q455-E467 PolarHBondContact OE1-OE2 2.77Å |
| 456 | L | 91.7 | Very high | 90.4 | Very high | 143 Ų | 143 | 60.1 Ų | 60.1 | 75% | 0.749 | 31% | 0.31 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.4 | 125.4 | -177.6 | -58.8 | 177.7 | 0 | 0 | 0 | 111 | T422 | T422-L456 WeakPolarHBondContact OG1-CA 3.28Š|
| 457 | G | 90.4 | Very high | 90.5 | Very high | 37 Ų | 37 | 55 Ų | 55 | 38% | 0.381 | 29% | 0.286 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 86 | -1.1 | 174.8 | 0 | 0 | 0 | 0 | 0 | 116.2 | R423 P424 Q455 | R423-G457 WeakPolarHBondContact O-CA 3.41Å; P424-G457 WeakPolarHBondContact CB-O 3.42Å; Q455-G457 PolarHBondContact O-N 2.79Å |
| 458 | E | 88.5 | Confident | 90.6 | Very high | 116 Ų | 116 | 51.4 Ų | 51.4 | 54% | 0.542 | 27% | 0.269 | S | S | . | . | trans | -97.8 | 0.2 | -172.7 | -68.8 | -69.6 | 162.6 | 0 | 0 | 114 | T422 Q455 K465 | T422-E458 PolarHBondContact O-N 3.49Å; Q455-E458 HydrophobicContact CB-CB 4.01Å; Q455-E458 HydrophobicContact CB-CG 4.12Å; E458-K465 WeakPolarHBondContact O-CE 3.33Å; E458-K465 PolarHBondContact O-NZ 2.86Å; E458-K465 VanDerWaalsContact O-NZ 3.1Å | ||
| 459 | G | 86.5 | Confident | 90.6 | Very high | 9 Ų | 9 | 49.4 Ų | 49.4 | 9% | 0.093 | 26% | 0.259 | C | S | . | . | S | Bend | trans | -64 | 160.3 | 173.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | T422 P424 | T422-G459 VanDerWaalsContact O-CA 3.28Å; T422-G459 WeakPolarHBondContact O-CA 3.4Å; T422-G459 PolarHBondContact O-N 2.85Å; P424-G459 WeakPolarHBondContact CG-O 3.27Å |
| 460 | A | 85.5 | Confident | 90.4 | Very high | 16 Ų | 16 | 42.4 Ų | 42.4 | 13% | 0.132 | 22% | 0.221 | C | C | . | . | B | Isolated β-bridge | trans | -76.6 | 161.8 | 172.5 | 0 | 0 | 0 | 0 | 0 | 110.6 | W434 Y462 G463 | W434-A460 WeakPolarHBondContact CH2-O 3.34Å; A460-Y462 HydrophobicContact CB-CD1 4.18Å; A460-Y462 HydrophobicContact CB-CD2 4.41Å; A460-Y462 HydrophobicContact CB-CE1 3.9Å; A460-Y462 HydrophobicContact CB-CE2 4.15Å; A460-Y462 HydrophobicContact CB-CG 4.45Å; A460-Y462 PolarHBondContact O-N 3.09Å; A460-G463 PolarHBondContact N-O 3.01Å; A460-G463 PolarHBondContact O-N 3Å; A460-G463 VanDerWaalsContact O-N 3.15Å |
| 461 | F | 82.1 | Confident | 89.9 | Confident | 23 Ų | 23 | 44.8 Ų | 44.8 | 10% | 0.101 | 23% | 0.23 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -60.2 | -15.5 | -178.4 | 70.8 | -92.9 | 0 | 0 | 0 | 114.5 | H309 Y313 K426 R427 I428 | H309-F461 AromaticContact NE2-CE1 3.99Å; H309-F461 AromaticContact NE2-CZ 3.76Å; Y313-F461 HydrophobicContact CD2-CE1 4.48Å; Y313-F461 HydrophobicContact CE2-CE1 4.03Å; K426-F461 WeakPolarHBondContact O-CB 3.4Å; R427-F461 CarbonylContact C-O 3.48Å; R427-F461 WeakPolarHBondContact CA-O 3.47Å; I428-F461 HydrophobicContact CD1-CD2 3.66Å; I428-F461 HydrophobicContact CD1-CE2 3.76Å; I428-F461 HydrophobicContact CG1-CD2 4.09Å; I428-F461 PolarHBondContact N-O 3.19Å |
| 462 | Y | 80.9 | Confident | 89.2 | Confident | 21 Ų | 21 | 39.6 Ų | 39.6 | 8% | 0.082 | 20% | 0.196 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -108.8 | -1.5 | -178.6 | 51.8 | -100.9 | 0 | 0 | 0 | 115.1 | H309 A460 Q484 D486 | H309-Y462 AromaticContact NE2-CE1 3.89Å; A460-Y462 HydrophobicContact CB-CD1 4.18Å; A460-Y462 HydrophobicContact CB-CD2 4.41Å; A460-Y462 HydrophobicContact CB-CE1 3.9Å; A460-Y462 HydrophobicContact CB-CE2 4.15Å; A460-Y462 HydrophobicContact CB-CG 4.45Å; A460-Y462 PolarHBondContact O-N 3.09Å; Y462-Q484 VanDerWaalsContact CE2-CD 3.42Å; Y462-Q484 HydrophobicContact CE2-CG 3.96Å; Y462-Q484 PolarHBondContact OH-OE1 3.45Å; Y462-D486 HydrophobicContact CD2-CB 3.68Å; Y462-D486 VanDerWaalsContact CD2-CG 3.41Å; Y462-D486 WeakPolarHBondContact CD2-OD2 3.44Å; Y462-D486 HydrophobicContact CE2-CB 4.18Å |
| 463 | G | 86.9 | Confident | 88.2 | Confident | 0 Ų | 0 | 40.1 Ų | 40.1 | 0% | 0 | 20% | 0.204 | C | C | . | . | B | Isolated β-bridge | trans | 159.8 | 168.6 | 172.7 | 0 | 0 | 0 | 0 | 0 | 115.4 | W434 A460 Q484 L485 | W434-G463 VanDerWaalsContact CZ3-C 3.43Å; A460-G463 PolarHBondContact N-O 3.01Å; A460-G463 PolarHBondContact O-N 3Å; A460-G463 VanDerWaalsContact O-N 3.15Å; G463-Q484 PolarHBondContact O-NE2 3.48Å; G463-Q484 VanDerWaalsContact O-NE2 3.16Å; G463-L485 VanDerWaalsContact CA-O 3.3Å; G463-L485 WeakPolarHBondContact CA-O 3.32Å |
| 464 | P | 92.9 | Very high | 87 | Confident | 1 Ų | 1 | 35.9 Ų | 35.9 | 1% | 0.006 | 19% | 0.185 | C | C | . | . | trans | -75.2 | 160.6 | -178.1 | 32.7 | -35.1 | 0 | 0 | 0 | 111.7 | S421 W434 A437 E438 L441 Q484 L485 | S421-P464 WeakPolarHBondContact O-CA 3.41Å; S421-P464 WeakPolarHBondContact O-CB 3.41Å; W434-P464 HydrophobicContact CE3-CB 4.45Å; W434-P464 HydrophobicContact CE3-CG 4.4Å; W434-P464 HydrophobicContact CZ3-CB 4Å; W434-P464 HydrophobicContact CZ3-CG 4.27Å; W434-P464 VanDerWaalsContact CZ3-N 3.3Å; A437-P464 HydrophobicContact CB-CG 3.56Å; E438-P464 HydrophobicContact CG-CB 3.88Å; E438-P464 HydrophobicContact CG-CG 4.06Å; L441-P464 HydrophobicContact CD1-CB 3.84Å; L441-P464 HydrophobicContact CD1-CG 3.72Å; P464-Q484 WeakPolarHBondContact O-CA 3.45Å; P464-L485 PolarHBondContact O-N 3.03Å; P464-L485 VanDerWaalsContact O-N 3.11Å | ||
| 465 | K | 94.2 | Very high | 86 | Confident | 34 Ų | 34 | 33.9 Ų | 33.9 | 15% | 0.148 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.7 | 143.2 | -177.6 | 60.2 | 178 | 170.2 | 167.8 | 0 | 112.6 | S421 E458 E467 T482 V483 Q484 | S421-K465 PolarHBondContact N-O 3.18Å; S421-K465 PolarHBondContact O-N 2.79Å; S421-K465 WeakPolarHBondContact OG-CE 3.29Å; E458-K465 WeakPolarHBondContact O-CE 3.33Å; E458-K465 PolarHBondContact O-NZ 2.86Å; E458-K465 VanDerWaalsContact O-NZ 3.1Å; K465-E467 HydrophobicContact CD-CG 4.06Å; K465-E467 WeakPolarHBondContact CD-OE1 3.38Å; K465-E467 WeakPolarHBondContact CE-OE1 3.42Å; K465-E467 HydrophobicContact CG-CG 4.14Å; K465-E467 IonicContact NZ-OE1 2.74Å; K465-E467 PolarHBondContact NZ-OE1 3.29Å; K465-T482 HydrophobicContact CB-CG2 4.09Å; K465-T482 HydrophobicContact CD-CG2 4.24Å; K465-V483 CarbonylContact C-O 3.57Å; K465-V483 WeakPolarHBondContact CA-O 3.21Å; K465-Q484 HydrophobicContact CB-CB 3.73Å; K465-Q484 HydrophobicContact CB-CG 4.11Å |
| 466 | I | 95.7 | Very high | 85.2 | Confident | 0 Ų | 0 | 35.3 Ų | 35.3 | 0% | 0 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.2 | 125 | 165.1 | -57.4 | 174.7 | 0 | 0 | 0 | 107.6 | V397 I401 V418 K419 L420 L441 L445 F468 T482 V483 | V397-I466 HydrophobicContact CG1-CD1 3.99Å; I401-I466 HydrophobicContact CD1-CD1 4.47Å; V418-I466 HydrophobicContact CG1-CG2 3.45Å; V418-I466 VanDerWaalsContact CG1-CG2 3.45Å; K419-I466 CarbonylContact O-C 3.53Å; K419-I466 WeakPolarHBondContact O-CA 3.43Å; L420-I466 HydrophobicContact CD1-CG1 3.99Å; L441-I466 HydrophobicContact CB-CD1 4.17Å; L441-I466 HydrophobicContact CB-CG1 4.14Å; L441-I466 HydrophobicContact CD1-CG1 4.24Å; L441-I466 HydrophobicContact CD2-CD1 3.79Å; L441-I466 HydrophobicContact CD2-CG1 4.03Å; L441-I466 HydrophobicContact CG-CD1 4.46Å; L441-I466 HydrophobicContact CG-CG1 4.36Å; L445-I466 HydrophobicContact CD1-CD1 4.08Å; L445-I466 HydrophobicContact CD1-CG1 4.13Å; L445-I466 HydrophobicContact CD1-CG2 4.38Å; L445-I466 HydrophobicContact CD2-CD1 4.03Å; L445-I466 HydrophobicContact CD2-CG2 4.06Å; L445-I466 HydrophobicContact CG-CD1 3.9Å; L445-I466 HydrophobicContact CG-CG1 4.49Å; I466-F468 HydrophobicContact CB-CE2 4.25Å; I466-F468 HydrophobicContact CG2-CD2 4.25Å; I466-F468 HydrophobicContact CG2-CE1 4.2Å; I466-F468 HydrophobicContact CG2-CE2 3.58Å; I466-F468 HydrophobicContact CG2-CZ 3.55Å; I466-T482 VanDerWaalsContact O-CA 3.28Å; I466-T482 WeakPolarHBondContact O-CA 3.39Å; I466-V483 HydrophobicContact CB-CB 4.43Å; I466-V483 PolarHBondContact N-O 3.37Å; I466-V483 PolarHBondContact O-N 2.8Å |
| 467 | E | 94.1 | Very high | 84.8 | Confident | 11 Ų | 11 | 31.2 Ų | 31.2 | 5% | 0.051 | 17% | 0.173 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.4 | 124.8 | 177.3 | -56.7 | -166.2 | 146.7 | 0 | 0 | 110.6 | V418 K419 Q455 K465 Q479 | V418-E467 WeakPolarHBondContact CA-O 3.38Å; K419-E467 HydrophobicContact CB-CB 4.48Å; K419-E467 PolarHBondContact N-O 2.83Å; K419-E467 PolarHBondContact O-N 3.15Å; Q455-E467 PolarHBondContact OE1-OE2 2.77Å; K465-E467 HydrophobicContact CD-CG 4.06Å; K465-E467 WeakPolarHBondContact CD-OE1 3.38Å; K465-E467 WeakPolarHBondContact CE-OE1 3.42Å; K465-E467 HydrophobicContact CG-CG 4.14Å; K465-E467 IonicContact NZ-OE1 2.74Å; K465-E467 PolarHBondContact NZ-OE1 3.29Å; E467-Q479 HydrophobicContact CB-CG 4.3Å; E467-Q479 PolarHBondContact OE1-NE2 2.98Å; E467-Q479 PolarHBondContact OE2-NE2 2.85Å |
| 468 | F | 93.7 | Very high | 84.4 | Confident | 0 Ų | 0 | 31 Ų | 31 | 0% | 0 | 16% | 0.161 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.5 | 110.9 | 176.4 | -59.7 | -91.6 | 0 | 0 | 0 | 109.5 | I401 V404 Y405 Y408 I416 V418 I466 C480 G481 V483 | I401-F468 HydrophobicContact CG1-CZ 4.08Å; V404-F468 HydrophobicContact CG1-CB 4.31Å; V404-F468 HydrophobicContact CG1-CD1 3.87Å; V404-F468 HydrophobicContact CG1-CD2 4.18Å; V404-F468 HydrophobicContact CG1-CE1 4.23Å; V404-F468 HydrophobicContact CG1-CG 3.85Å; V404-F468 HydrophobicContact CG2-CD2 4.25Å; V404-F468 HydrophobicContact CG2-CE2 4.09Å; V404-F468 HydrophobicContact CG2-CZ 4.41Å; Y405-F468 HydrophobicContact CE2-CD1 4.5Å; Y405-F468 HydrophobicContact CE2-CE1 4.04Å; Y408-F468 HydrophobicContact CE2-CB 4.14Å; I416-F468 HydrophobicContact CG2-CB 4.24Å; I416-F468 HydrophobicContact CG2-CD1 4.06Å; V418-F468 HydrophobicContact CG1-CD1 4.48Å; V418-F468 HydrophobicContact CG1-CE1 4.3Å; V418-F468 HydrophobicContact CG2-CD1 3.69Å; V418-F468 HydrophobicContact CG2-CE1 3.91Å; I466-F468 HydrophobicContact CB-CE2 4.25Å; I466-F468 HydrophobicContact CG2-CD2 4.25Å; I466-F468 HydrophobicContact CG2-CE1 4.2Å; I466-F468 HydrophobicContact CG2-CE2 3.58Å; I466-F468 HydrophobicContact CG2-CZ 3.55Å; F468-C480 PolarHBondContact O-N 3.3Å; F468-C480 VanDerWaalsContact O-N 3.1Å; F468-G481 PolarHBondContact N-O 2.92Å; F468-V483 HydrophobicContact CE2-CG2 3.98Å |
| 469 | T | 90.6 | Very high | 84.3 | Confident | 12 Ų | 12 | 28.5 Ų | 28.5 | 7% | 0.074 | 15% | 0.149 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.4 | 113.4 | 179.9 | -60 | 0 | 0 | 0 | 0 | 110.2 | V417 Y471 A477 W478 | V417-T469 PolarHBondContact N-O 2.63Å; V417-T469 WeakPolarHBondContact O-CA 3Å; V417-T469 WeakPolarHBondContact O-CB 3.4Å; V417-T469 PolarHBondContact O-N 3.48Å; T469-Y471 HydrophobicContact CG2-CE2 4.35Å; T469-A477 HydrophobicContact CG2-CB 3.55Å; T469-W478 WeakPolarHBondContact CA-O 3.45Å |
| 470 | L | 88.2 | Confident | 84.4 | Confident | 0 Ų | 0 | 28.4 Ų | 28.4 | 0% | 0 | 15% | 0.147 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.3 | 140.5 | 176.6 | -63.6 | 164.2 | 0 | 0 | 0 | 110.3 | Y408 F413 I416 A477 W478 C480 | Y408-L470 HydrophobicContact CD1-CD1 4.24Å; Y408-L470 HydrophobicContact CD1-CD2 4.4Å; Y408-L470 HydrophobicContact CD2-CD2 3.53Å; Y408-L470 HydrophobicContact CD2-CG 4.37Å; Y408-L470 HydrophobicContact CE1-CD1 3.87Å; Y408-L470 HydrophobicContact CE2-CD1 4.09Å; Y408-L470 HydrophobicContact CE2-CD2 3.65Å; Y408-L470 HydrophobicContact CE2-CG 4Å; Y408-L470 HydrophobicContact CG-CD2 3.9Å; F413-L470 HydrophobicContact CB-CD2 3.63Å; F413-L470 HydrophobicContact CD2-CD1 4.36Å; F413-L470 HydrophobicContact CD2-CD2 4.38Å; F413-L470 HydrophobicContact CG-CD2 3.98Å; I416-L470 HydrophobicContact CD1-CD2 4.47Å; I416-L470 HydrophobicContact CG1-CD2 3.7Å; L470-A477 CarbonylContact O-C 3.59Å; L470-A477 WeakPolarHBondContact O-CA 3.29Å; L470-W478 PolarHBondContact N-O 2.89Å; L470-W478 PolarHBondContact O-N 3.22Å; L470-C480 HydrophobicContact CD1-CB 3.81Å |
| 471 | Y | 81.4 | Confident | 84.6 | Confident | 66 Ų | 66 | 27.7 Ų | 27.7 | 26% | 0.259 | 14% | 0.141 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.4 | 126.8 | 167 | -73.8 | -100.5 | 0 | 0 | 0 | 109.7 | K415 V417 T469 D475 R476 A477 | K415-Y471 HydrophobicContact CD-CD2 4.29Å; K415-Y471 HydrophobicContact CD-CG 4.18Å; K415-Y471 HydrophobicContact CG-CD2 4.21Å; K415-Y471 PolarHBondContact O-N 2.91Å; V417-Y471 HydrophobicContact CB-CE2 3.94Å; V417-Y471 HydrophobicContact CG2-CD2 4.21Å; V417-Y471 HydrophobicContact CG2-CE2 3.43Å; V417-Y471 VanDerWaalsContact CG2-CE2 3.43Å; T469-Y471 HydrophobicContact CG2-CE2 4.35Å; Y471-D475 HydrophobicContact CD1-CB 4.5Å; Y471-R476 WeakPolarHBondContact CA-O 3.11Å; Y471-A477 HydrophobicContact CE1-CB 4.1Å |
| 472 | D | 77.1 | Confident | 85.2 | Confident | 6 Ų | 6 | 27.9 Ų | 27.9 | 3% | 0.032 | 14% | 0.144 | C | C | . | . | P | Polyproline II helix | trans | -77 | 173.5 | 170.1 | 70 | 18.4 | 0 | 0 | 0 | 111.8 | L474 D475 R476 W478 E528 | D472-L474 PolarHBondContact O-N 3.16Å; D472-L474 VanDerWaalsContact OD1-CA 3.3Å; D472-L474 WeakPolarHBondContact OD1-CA 3.3Å; D472-L474 WeakPolarHBondContact OD1-CB 3.27Å; D472-L474 PolarHBondContact OD1-N 3.33Å; D472-D475 PolarHBondContact O-N 2.87Å; D472-D475 PolarHBondContact OD1-N 2.82Å; D472-R476 PolarHBondContact N-O 3.24Å; D472-R476 VanDerWaalsContact N-O 3.1Å; D472-R476 PolarHBondContact OD1-N 2.87Å; D472-R476 IonicContact OD1-NE 2.75Å; D472-R476 IonicContact OD2-CZ 3.95Å; D472-R476 IonicContact OD2-NE 3.46Å; D472-R476 PolarHBondContact OD2-NE 3.31Å; D472-R476 IonicContact OD2-NH2 2.79Å; D472-R476 PolarHBondContact OD2-NH2 3.5Å; D472-W478 PolarHBondContact OD2-NE1 3.39Å; D472-E528 WeakPolarHBondContact CA-OE2 3.26Å; D472-E528 WeakPolarHBondContact CB-OE2 3.35Å |
| 473 | C | 73 | Confident | 85.9 | Confident | 55 Ų | 55 | 26.9 Ų | 26.9 | 37% | 0.372 | 14% | 0.14 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -57.1 | -5.5 | 175.2 | 57.2 | 0 | 0 | 0 | 0 | 115.7 | R242 E528 | R242-C473 PolarHBondContact NH1-SG 3Å; C473-E528 WeakPolarHBondContact CB-OE1 3.45Å; C473-E528 WeakPolarHBondContact CB-OE2 3.42Å; C473-E528 PolarHBondContact N-OE2 2.9Å; C473-E528 PolarHBondContact SG-OE2 3.06Å |
| 474 | L | 69.6 | Low | 86.2 | Confident | 22 Ų | 22 | 27.7 Ų | 27.7 | 12% | 0.115 | 14% | 0.144 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -112.1 | 10.5 | 176.8 | -59.2 | 166 | 0 | 0 | 0 | 112.1 | E238 A239 R242 D472 R476 | E238-L474 HydrophobicContact CB-CD2 4.22Å; E238-L474 HydrophobicContact CG-CD2 3.97Å; A239-L474 VanDerWaalsContact CA-CD1 3.5Å; A239-L474 HydrophobicContact CB-CD1 3.65Å; R242-L474 HydrophobicContact CB-CD1 4.37Å; D472-L474 PolarHBondContact O-N 3.16Å; D472-L474 VanDerWaalsContact OD1-CA 3.3Å; D472-L474 WeakPolarHBondContact OD1-CA 3.3Å; D472-L474 WeakPolarHBondContact OD1-CB 3.27Å; D472-L474 PolarHBondContact OD1-N 3.33Å; L474-R476 VanDerWaalsContact C-N 3.27Å; L474-R476 PolarHBondContact O-N 2.88Å |
| 475 | D | 71.6 | Confident | 86.2 | Confident | 92 Ų | 92 | 27.6 Ų | 27.6 | 49% | 0.492 | 14% | 0.144 | S | C | . | . | trans | 60.1 | 28.3 | -175.2 | -64.8 | -58.3 | 0 | 0 | 0 | 114 | Y471 D472 | Y471-D475 HydrophobicContact CD1-CB 4.5Å; D472-D475 PolarHBondContact O-N 2.87Å; D472-D475 PolarHBondContact OD1-N 2.82Å | ||
| 476 | R | 73.7 | Confident | 86.1 | Confident | 78 Ų | 78 | 26 Ų | 26 | 29% | 0.294 | 14% | 0.137 | S | C | . | . | trans | -88.3 | 133.6 | 171.2 | -62 | 176.6 | -64.1 | 171 | 1.2 | 110.1 | Y471 D472 L474 W478 E527 | Y471-R476 WeakPolarHBondContact CA-O 3.11Å; D472-R476 PolarHBondContact N-O 3.24Å; D472-R476 VanDerWaalsContact N-O 3.1Å; D472-R476 PolarHBondContact OD1-N 2.87Å; D472-R476 IonicContact OD1-NE 2.75Å; D472-R476 IonicContact OD2-CZ 3.95Å; D472-R476 IonicContact OD2-NE 3.46Å; D472-R476 PolarHBondContact OD2-NE 3.31Å; D472-R476 IonicContact OD2-NH2 2.79Å; D472-R476 PolarHBondContact OD2-NH2 3.5Å; L474-R476 VanDerWaalsContact C-N 3.27Å; L474-R476 PolarHBondContact O-N 2.88Å; R476-W478 VanDerWaalsContact O-CD1 3.27Å; R476-E527 IonicContact CZ-OE2 3.71Å; R476-E527 IonicContact NH1-OE2 3.13Å; R476-E527 PolarHBondContact NH1-OE2 2.76Å; R476-E527 IonicContact NH2-OE2 3.83Å; R476-E527 PolarHBondContact NH2-OE2 2.65Å | ||
| 477 | A | 83.5 | Confident | 85.8 | Confident | 56 Ų | 56 | 27.4 Ų | 27.4 | 46% | 0.463 | 14% | 0.143 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -80.3 | 126.5 | 178.5 | 0 | 0 | 0 | 0 | 0 | 111.3 | T469 L470 Y471 | T469-A477 HydrophobicContact CG2-CB 3.55Å; L470-A477 CarbonylContact O-C 3.59Å; L470-A477 WeakPolarHBondContact O-CA 3.29Å; Y471-A477 HydrophobicContact CE1-CB 4.1Å |
| 478 | W | 83.7 | Confident | 85.4 | Confident | 32 Ų | 32 | 27.5 Ų | 27.5 | 12% | 0.121 | 15% | 0.145 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.7 | 108.9 | 176 | -58.6 | 101.4 | 0 | 0 | 0 | 109.7 | M374 T469 L470 D472 R476 C480 I524 | M374-W478 HydrophobicContact CB-CH2 4.47Å; M374-W478 HydrophobicContact CB-CZ3 4.17Å; M374-W478 HydrophobicContact CE-CH2 3.66Å; M374-W478 HydrophobicContact CE-CZ2 3.83Å; M374-W478 HydrophobicContact CE-CZ3 4.2Å; M374-W478 HydrophobicContact CG-CH2 3.82Å; M374-W478 HydrophobicContact CG-CZ3 3.92Å; M374-W478 HydrophobicContact SD-CE3 4.18Å; M374-W478 HydrophobicContact SD-CH2 3.6Å; M374-W478 HydrophobicContact SD-CZ2 4.28Å; M374-W478 HydrophobicContact SD-CZ3 3.54Å; M374-W478 VanDerWaalsContact SD-CZ3 3.54Å; T469-W478 WeakPolarHBondContact CA-O 3.45Å; L470-W478 PolarHBondContact N-O 2.89Å; L470-W478 PolarHBondContact O-N 3.22Å; D472-W478 PolarHBondContact OD2-NE1 3.39Å; R476-W478 VanDerWaalsContact O-CD1 3.27Å; W478-C480 PolarHBondContact O-N 3.05Å; W478-I524 HydrophobicContact CB-CD1 3.63Å; W478-I524 HydrophobicContact CB-CG1 4.36Å; W478-I524 HydrophobicContact CD2-CD1 4.01Å; W478-I524 HydrophobicContact CD2-CG1 3.87Å; W478-I524 HydrophobicContact CE3-CD1 4.29Å; W478-I524 HydrophobicContact CE3-CG1 4.26Å; W478-I524 HydrophobicContact CG-CD1 3.73Å; W478-I524 HydrophobicContact CG-CG1 3.9Å |
| 479 | Q | 86.2 | Confident | 85.3 | Confident | 64 Ų | 64 | 27.7 Ų | 27.7 | 30% | 0.299 | 15% | 0.146 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -68.7 | 118.7 | 166.9 | -177.2 | -172.7 | -2.6 | 0 | 0 | 109.1 | E467 R520 | E467-Q479 HydrophobicContact CB-CG 4.3Å; E467-Q479 PolarHBondContact OE1-NE2 2.98Å; E467-Q479 PolarHBondContact OE2-NE2 2.85Å; Q479-R520 PolarHBondContact O-NH1 3.42Å |
| 480 | C | 87.6 | Confident | 85.4 | Confident | 8 Ų | 8 | 27.1 Ų | 27.1 | 5% | 0.054 | 14% | 0.142 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.6 | -61.9 | 178.8 | -70.3 | 0 | 0 | 0 | 0 | 110.4 | Y408 F468 L470 W478 I524 | Y408-C480 WeakPolarHBondContact OH-CB 3.47Å; F468-C480 PolarHBondContact O-N 3.3Å; F468-C480 VanDerWaalsContact O-N 3.1Å; L470-C480 HydrophobicContact CD1-CB 3.81Å; W478-C480 PolarHBondContact O-N 3.05Å; C480-I524 WeakPolarHBondContact SG-CD1 3.26Å |
| 481 | G | 90.8 | Very high | 85.6 | Confident | 0 Ų | 0 | 30.5 Ų | 30.5 | 0% | 0 | 17% | 0.166 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -78 | 140.9 | -177.2 | 0 | 0 | 0 | 0 | 0 | 110.8 | Y408 F468 A513 I514 | Y408-G481 WeakPolarHBondContact OH-CA 3.27Å; Y408-G481 PolarHBondContact OH-N 3.31Å; F468-G481 PolarHBondContact N-O 2.92Å; G481-A513 CarbonylContact C-O 3.52Å; G481-A513 VanDerWaalsContact CA-O 3.27Å; G481-A513 WeakPolarHBondContact CA-O 3.43Å; G481-I514 WeakPolarHBondContact CA-O 3.33Å; G481-I514 PolarHBondContact N-O 2.75Å |
| 482 | T | 94.4 | Very high | 86.1 | Confident | 27 Ų | 27 | 31.8 Ų | 31.8 | 17% | 0.166 | 17% | 0.17 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -145.1 | 137.2 | 172.5 | -58.8 | 0 | 0 | 0 | 0 | 109 | K465 I466 Q484 R512 A513 | K465-T482 HydrophobicContact CB-CG2 4.09Å; K465-T482 HydrophobicContact CD-CG2 4.24Å; I466-T482 VanDerWaalsContact O-CA 3.28Å; I466-T482 WeakPolarHBondContact O-CA 3.39Å; T482-Q484 HydrophobicContact CG2-CB 4.42Å; T482-R512 WeakPolarHBondContact O-CA 3.44Å; T482-R512 WeakPolarHBondContact O-CB 3.12Å; T482-A513 PolarHBondContact N-O 2.74Å; T482-A513 PolarHBondContact O-N 3.45Å; T482-A513 VanDerWaalsContact O-N 3.1Å |
| 483 | V | 95.1 | Very high | 87 | Confident | 0 Ų | 0 | 32 Ų | 32 | 0% | 0 | 17% | 0.171 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.9 | 116.9 | 171.6 | 179.4 | 0 | 0 | 0 | 0 | 106.9 | V397 C400 K465 I466 F468 I510 H511 R512 | V397-V483 HydrophobicContact CG1-CG1 4.44Å; V397-V483 HydrophobicContact CG2-CG1 4.37Å; C400-V483 HydrophobicContact CB-CG1 4.19Å; C400-V483 HydrophobicContact CB-CG2 3.67Å; K465-V483 CarbonylContact C-O 3.57Å; K465-V483 WeakPolarHBondContact CA-O 3.21Å; I466-V483 HydrophobicContact CB-CB 4.43Å; I466-V483 PolarHBondContact N-O 3.37Å; I466-V483 PolarHBondContact O-N 2.8Å; F468-V483 HydrophobicContact CE2-CG2 3.98Å; V483-I510 HydrophobicContact CG1-CG2 3.72Å; V483-H511 WeakPolarHBondContact CA-O 3.37Å; V483-R512 HydrophobicContact CG2-CB 4.25Å |
| 484 | Q | 93.8 | Very high | 88 | Confident | 17 Ų | 17 | 34 Ų | 34 | 8% | 0.079 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.6 | 132.1 | -169.7 | 168 | 160.3 | 50.7 | 0 | 0 | 110.8 | Y462 G463 P464 K465 T482 I510 H511 | Y462-Q484 VanDerWaalsContact CE2-CD 3.42Å; Y462-Q484 HydrophobicContact CE2-CG 3.96Å; Y462-Q484 PolarHBondContact OH-OE1 3.45Å; G463-Q484 PolarHBondContact O-NE2 3.48Å; G463-Q484 VanDerWaalsContact O-NE2 3.16Å; P464-Q484 WeakPolarHBondContact O-CA 3.45Å; K465-Q484 HydrophobicContact CB-CB 3.73Å; K465-Q484 HydrophobicContact CB-CG 4.11Å; T482-Q484 HydrophobicContact CG2-CB 4.42Å; Q484-I510 CarbonylContact O-C 3.58Å; Q484-I510 WeakPolarHBondContact O-CA 3.39Å; Q484-H511 HydrophobicContact CB-CB 4.19Å; Q484-H511 PolarHBondContact N-O 3.31Å; Q484-H511 PolarHBondContact O-N 2.83Å |
| 485 | L | 93 | Very high | 89.2 | Confident | 0 Ų | 0 | 33 Ų | 33 | 0% | 0 | 18% | 0.181 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.6 | 137 | 174.3 | -59.1 | 179.8 | 0 | 0 | 0 | 110.1 | I393 V397 A437 L441 G463 P464 F487 I510 | I393-L485 HydrophobicContact CG2-CD1 4.03Å; I393-L485 HydrophobicContact CG2-CD2 3.79Å; V397-L485 HydrophobicContact CG2-CD2 4.11Å; A437-L485 HydrophobicContact CB-CD1 4.06Å; L441-L485 HydrophobicContact CD1-CD1 4.21Å; L441-L485 HydrophobicContact CD1-CG 4.23Å; L441-L485 HydrophobicContact CD2-CD1 3.86Å; L441-L485 HydrophobicContact CD2-CD2 4.34Å; L441-L485 HydrophobicContact CD2-CG 3.87Å; L441-L485 HydrophobicContact CG-CD1 3.74Å; L441-L485 HydrophobicContact CG-CG 4.11Å; G463-L485 VanDerWaalsContact CA-O 3.3Å; G463-L485 WeakPolarHBondContact CA-O 3.32Å; P464-L485 PolarHBondContact O-N 3.03Å; P464-L485 VanDerWaalsContact O-N 3.11Å; L485-F487 HydrophobicContact CB-CD2 4.41Å; L485-F487 HydrophobicContact CB-CE2 3.73Å; L485-F487 HydrophobicContact CB-CZ 4.47Å; L485-F487 HydrophobicContact CD1-CE2 4.17Å; L485-F487 HydrophobicContact CD1-CZ 4.32Å; L485-I510 HydrophobicContact CD2-CD1 4.09Å; L485-I510 HydrophobicContact CD2-CG1 3.77Å; L485-I510 HydrophobicContact CD2-CG2 4.35Å |
| 486 | D | 92.1 | Very high | 90.4 | Very high | 0 Ų | 0 | 30.5 Ų | 30.5 | 0% | 0 | 17% | 0.17 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.3 | 113.2 | 174.1 | -172.5 | -12.6 | 0 | 0 | 0 | 110.1 | Y462 S488 L489 M509 H511 | Y462-D486 HydrophobicContact CD2-CB 3.68Å; Y462-D486 VanDerWaalsContact CD2-CG 3.41Å; Y462-D486 WeakPolarHBondContact CD2-OD2 3.44Å; Y462-D486 HydrophobicContact CE2-CB 4.18Å; D486-S488 WeakPolarHBondContact OD1-CA 3.34Å; D486-S488 PolarHBondContact OD1-N 2.91Å; D486-L489 PolarHBondContact OD1-N 3.17Å; D486-L489 WeakPolarHBondContact OD2-CB 3.31Å; D486-M509 PolarHBondContact N-O 2.72Å; D486-M509 PolarHBondContact O-N 3.07Å; D486-H511 VanDerWaalsContact CB-CD2 3.47Å; D486-H511 WeakPolarHBondContact CB-CD2 3.37Å; D486-H511 WeakPolarHBondContact CB-NE2 3.48Å; D486-H511 IonicContact OD2-CE1 3.55Å; D486-H511 IonicContact OD2-NE2 3.55Å; D486-H511 PolarHBondContact OD2-NE2 3.29Å; D486-H511 VanDerWaalsContact OD2-NE2 3.09Å |
| 487 | F | 88.1 | Confident | 91.6 | Very high | 30 Ų | 30 | 27.6 Ų | 27.6 | 13% | 0.132 | 16% | 0.16 | C | C | . | . | S | Bend | trans | -99.3 | -9.2 | 177.1 | -63.2 | -94.2 | 0 | 0 | 0 | 112.3 | I393 M433 A437 L485 V508 | I393-F487 HydrophobicContact CD1-CE1 3.93Å; I393-F487 HydrophobicContact CD1-CZ 3.87Å; M433-F487 HydrophobicContact CE-CB 4.07Å; M433-F487 HydrophobicContact CE-CD2 4.31Å; M433-F487 HydrophobicContact CE-CG 4.45Å; M433-F487 HydrophobicContact CG-CB 4.1Å; M433-F487 HydrophobicContact CG-CD1 4.26Å; M433-F487 HydrophobicContact CG-CD2 4.18Å; M433-F487 HydrophobicContact CG-CG 3.93Å; M433-F487 HydrophobicContact SD-CB 3.39Å; M433-F487 WeakPolarHBondContact SD-CB 3.46Å; M433-F487 HydrophobicContact SD-CD2 4.31Å; M433-F487 HydrophobicContact SD-CG 3.89Å; A437-F487 HydrophobicContact CB-CD2 4.36Å; A437-F487 HydrophobicContact CB-CE2 3.45Å; A437-F487 VanDerWaalsContact CB-CE2 3.45Å; A437-F487 HydrophobicContact CB-CZ 4.01Å; L485-F487 HydrophobicContact CB-CD2 4.41Å; L485-F487 HydrophobicContact CB-CE2 3.73Å; L485-F487 HydrophobicContact CB-CZ 4.47Å; L485-F487 HydrophobicContact CD1-CE2 4.17Å; L485-F487 HydrophobicContact CD1-CZ 4.32Å; F487-V508 HydrophobicContact CD1-CB 4.48Å; F487-V508 HydrophobicContact CD1-CG1 3.99Å; F487-V508 HydrophobicContact CD1-CG2 3.72Å; F487-V508 HydrophobicContact CE1-CB 4.36Å; F487-V508 HydrophobicContact CE1-CG1 3.75Å; F487-V508 HydrophobicContact CE1-CG2 3.62Å; F487-V508 HydrophobicContact CE2-CG1 4.49Å; F487-V508 HydrophobicContact CG-CG1 4.48Å; F487-V508 HydrophobicContact CZ-CG1 4.03Å |
| 488 | S | 86.9 | Confident | 92.2 | Very high | 13 Ų | 13 | 26.7 Ų | 26.7 | 9% | 0.091 | 15% | 0.148 | C | C | . | . | S | Bend | trans | -97.5 | -50.9 | -170.1 | 173.5 | 0 | 0 | 0 | 0 | 111.6 | D486 S491 R492 | D486-S488 WeakPolarHBondContact OD1-CA 3.34Å; D486-S488 PolarHBondContact OD1-N 2.91Å; S488-S491 WeakPolarHBondContact O-CB 3.31Å; S488-S491 PolarHBondContact O-N 2.7Å; S488-S491 VanDerWaalsContact O-N 3.11Å; S488-R492 WeakPolarHBondContact O-CG 3.3Å; S488-R492 PolarHBondContact O-N 2.88Å |
| 489 | L | 91.1 | Very high | 92.7 | Very high | 3 Ų | 3 | 25.3 Ų | 25.3 | 2% | 0.016 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -62 | -41.1 | -170.9 | -175.3 | 58.3 | 0 | 0 | 0 | 113.8 | T307 C334 V338 D486 S491 R492 L493 M509 | T307-L489 HydrophobicContact CG2-CD1 3.66Å; C334-L489 HydrophobicContact CB-CD2 3.67Å; C334-L489 WeakPolarHBondContact SG-CD2 3.33Å; V338-L489 HydrophobicContact CG2-CG 4.43Å; D486-L489 PolarHBondContact OD1-N 3.17Å; D486-L489 WeakPolarHBondContact OD2-CB 3.31Å; L489-S491 VanDerWaalsContact C-N 3.33Å; L489-S491 PolarHBondContact O-N 3.42Å; L489-R492 PolarHBondContact O-N 2.66Å; L489-L493 HydrophobicContact CD1-CD1 3.74Å; L489-L493 HydrophobicContact CD1-CG 4.04Å; L489-L493 HydrophobicContact CG-CD1 4.25Å; L489-L493 PolarHBondContact O-N 2.78Å; L489-L493 VanDerWaalsContact O-N 3.08Å; L489-M509 HydrophobicContact CB-CE 3.8Å; L489-M509 HydrophobicContact CD2-CE 3.48Å; L489-M509 VanDerWaalsContact CD2-CE 3.48Å; L489-M509 HydrophobicContact CG-CE 3.81Å |
| 490 | P | 93.3 | Very high | 93.1 | Very high | 0 Ų | 0 | 29.4 Ų | 29.4 | 0% | 0 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -56.3 | -45.5 | 172.8 | -28.3 | 38.6 | 0 | 0 | 0 | 112.5 | L493 S494 A495 V506 P507 M509 | P490-L493 CarbonylContact O-C 3.58Å; P490-L493 PolarHBondContact O-N 2.88Å; P490-S494 PolarHBondContact O-N 2.88Å; P490-S494 VanDerWaalsContact O-N 3.12Å; P490-A495 HydrophobicContact CB-CB 3.96Å; P490-A495 WeakPolarHBondContact O-CB 3.38Å; P490-A495 PolarHBondContact O-N 2.88Å; P490-V506 HydrophobicContact CB-CG1 3.77Å; P490-P507 HydrophobicContact CB-CG 4.29Å; P490-P507 VanDerWaalsContact CB-O 3.27Å; P490-P507 WeakPolarHBondContact CB-O 3.11Å; P490-P507 WeakPolarHBondContact CG-O 3.06Å; P490-M509 HydrophobicContact CG-CB 3.53Å; P490-M509 HydrophobicContact CG-CE 4.31Å |
| 491 | S | 92 | Very high | 93.4 | Very high | 71 Ų | 71 | 32.7 Ų | 32.7 | 50% | 0.497 | 18% | 0.18 | S | C | . | . | H | α-helix | trans | -62.6 | -48 | 177.4 | -178.2 | 0 | 0 | 0 | 0 | 111.8 | S488 L489 L493 S494 | S488-S491 WeakPolarHBondContact O-CB 3.31Å; S488-S491 PolarHBondContact O-N 2.7Å; S488-S491 VanDerWaalsContact O-N 3.11Å; L489-S491 VanDerWaalsContact C-N 3.33Å; L489-S491 PolarHBondContact O-N 3.42Å; S491-L493 PolarHBondContact O-N 2.92Å; S491-S494 PolarHBondContact O-N 3.22Å |
| 492 | R | 91.6 | Very high | 93.4 | Very high | 94 Ų | 94 | 39.3 Ų | 39.3 | 36% | 0.355 | 22% | 0.215 | S | C | . | . | H | α-helix | trans | -62.1 | -26.2 | -179.9 | -68.7 | -166.1 | 73.1 | 158.3 | 5.3 | 113.9 | K306 G308 S488 L489 | K306-R492 VanDerWaalsContact O-CZ 3.31Å; K306-R492 PolarHBondContact O-NE 2.6Å; K306-R492 PolarHBondContact O-NH2 3.32Å; G308-R492 VanDerWaalsContact CA-NH1 3.26Å; S488-R492 WeakPolarHBondContact O-CG 3.3Å; S488-R492 PolarHBondContact O-N 2.88Å; L489-R492 PolarHBondContact O-N 2.66Å |
| 493 | L | 95.2 | Very high | 93.4 | Very high | 9 Ų | 9 | 44 Ų | 44 | 5% | 0.047 | 24% | 0.236 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -106.1 | 17.4 | 177.6 | -68.3 | -179.1 | 0 | 0 | 0 | 113.3 | L303 K306 T307 P335 V338 N342 L489 P490 S491 A495 | L303-L493 HydrophobicContact CD1-CD1 4.45Å; L303-L493 HydrophobicContact CD1-CD2 3.69Å; K306-L493 HydrophobicContact CB-CD2 3.95Å; T307-L493 HydrophobicContact CG2-CD1 3.87Å; T307-L493 HydrophobicContact CG2-CD2 4.1Å; T307-L493 HydrophobicContact CG2-CG 4.21Å; P335-L493 HydrophobicContact CB-CD1 4.15Å; V338-L493 HydrophobicContact CB-CB 4.39Å; V338-L493 HydrophobicContact CB-CD1 3.83Å; V338-L493 HydrophobicContact CG1-CB 3.55Å; V338-L493 HydrophobicContact CG1-CD1 3.93Å; V338-L493 HydrophobicContact CG1-CG 4.41Å; V338-L493 HydrophobicContact CG2-CD1 4.18Å; N342-L493 PolarHBondContact ND2-O 3.28Å; L489-L493 HydrophobicContact CD1-CD1 3.74Å; L489-L493 HydrophobicContact CD1-CG 4.04Å; L489-L493 HydrophobicContact CG-CD1 4.25Å; L489-L493 PolarHBondContact O-N 2.78Å; L489-L493 VanDerWaalsContact O-N 3.08Å; P490-L493 CarbonylContact O-C 3.58Å; P490-L493 PolarHBondContact O-N 2.88Å; S491-L493 PolarHBondContact O-N 2.92Å; L493-A495 PolarHBondContact O-N 3.11Å |
| 494 | S | 93.9 | Very high | 93.3 | Very high | 98 Ų | 98 | 52.5 Ų | 52.5 | 69% | 0.685 | 27% | 0.268 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 58.4 | 30.8 | 173.2 | -49.1 | 0 | 0 | 0 | 0 | 114.5 | P490 S491 | P490-S494 PolarHBondContact O-N 2.88Å; P490-S494 VanDerWaalsContact O-N 3.12Å; S491-S494 PolarHBondContact O-N 3.22Å |
| 495 | A | 96.4 | Very high | 93.4 | Very high | 1 Ų | 1 | 55.4 Ų | 55.4 | 1% | 0.008 | 28% | 0.28 | C | S | . | . | trans | -69.5 | 131.5 | 171.8 | 0 | 0 | 0 | 0 | 0 | 110.5 | V338 F341 N342 P490 L493 P507 | V338-A495 HydrophobicContact CG1-CB 3.98Å; F341-A495 HydrophobicContact CD1-CB 3.89Å; F341-A495 HydrophobicContact CE1-CB 4.13Å; N342-A495 WeakPolarHBondContact OD1-CA 3.33Å; P490-A495 HydrophobicContact CB-CB 3.96Å; P490-A495 WeakPolarHBondContact O-CB 3.38Å; P490-A495 PolarHBondContact O-N 2.88Å; L493-A495 PolarHBondContact O-N 3.11Å; A495-P507 HydrophobicContact CB-CG 4.15Å; A495-P507 WeakPolarHBondContact O-CD 3.47Å | ||
| 496 | S | 97 | Very high | 93.5 | Very high | 39 Ų | 39 | 58.5 Ų | 58.5 | 27% | 0.273 | 30% | 0.299 | S | S | . | . | trans | -147.7 | 152.6 | 178.7 | 54.8 | 0 | 0 | 0 | 0 | 112.3 | K505 | S496-K505 CarbonylContact C-O 3.57Å; S496-K505 WeakPolarHBondContact CA-O 3.28Å | ||
| 497 | Y | 97.2 | Very high | 93.7 | Very high | 18 Ų | 18 | 58.6 Ų | 58.6 | 7% | 0.071 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.7 | 163.1 | 169.2 | 72.8 | -83.5 | 0 | 0 | 0 | 109.7 | K346 L351 T389 R504 K505 P507 | K346-Y497 CarbonylContact O-C 3.56Å; K346-Y497 VanDerWaalsContact O-CA 3.25Å; K346-Y497 WeakPolarHBondContact O-CA 3.32Å; L351-Y497 HydrophobicContact CD1-CD1 3.73Å; L351-Y497 HydrophobicContact CD1-CD2 3.88Å; L351-Y497 HydrophobicContact CD1-CE1 4.06Å; L351-Y497 HydrophobicContact CD1-CE2 4.2Å; L351-Y497 HydrophobicContact CD1-CG 3.63Å; T389-Y497 HydrophobicContact CG2-CE2 3.98Å; Y497-R504 CarbonylContact O-C 3.57Å; Y497-R504 WeakPolarHBondContact O-CA 3.34Å; Y497-K505 HydrophobicContact CD1-CB 4.25Å; Y497-K505 WeakPolarHBondContact CD1-O 3.27Å; Y497-K505 HydrophobicContact CE1-CB 3.61Å; Y497-K505 HydrophobicContact CE2-CB 4.17Å; Y497-K505 PolarHBondContact N-O 3.26Å; Y497-K505 PolarHBondContact O-N 3.04Å; Y497-P507 HydrophobicContact CD1-CB 3.97Å; Y497-P507 HydrophobicContact CD1-CG 4.48Å; Y497-P507 HydrophobicContact CE1-CB 4.27Å |
| 498 | V | 96.9 | Very high | 94 | Very high | 37 Ų | 37 | 57.4 Ų | 57.4 | 22% | 0.224 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.5 | 117.1 | 176.6 | -177.1 | 0 | 0 | 0 | 0 | 109.2 | K346 Y348 N502 | K346-V498 PolarHBondContact O-N 2.91Å; Y348-V498 PolarHBondContact N-O 2.71Å; V498-N502 HydrophobicContact CG1-CB 4.47Å |
| 499 | G | 94.5 | Very high | 94.4 | Very high | 3 Ų | 3 | 56.8 Ų | 56.8 | 3% | 0.031 | 29% | 0.29 | C | S | . | . | trans | -71.7 | 176.5 | 178.6 | 0 | 0 | 0 | 0 | 0 | 114 | D501 N502 E503 | G499-D501 PolarHBondContact O-N 3.02Å; G499-N502 PolarHBondContact O-N 3.35Å; G499-E503 PolarHBondContact N-O 2.96Å | ||
| 500 | E | 93.3 | Very high | 94.7 | Very high | 149 Ų | 149 | 56.6 Ų | 56.6 | 70% | 0.696 | 29% | 0.289 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.6 | -27.9 | 176.1 | -56.2 | -157.9 | 140.2 | 0 | 0 | 113 | Y348 N502 | Y348-E500 HydrophobicContact CD1-CG 4Å; Y348-E500 HydrophobicContact CD2-CG 3.74Å; Y348-E500 HydrophobicContact CE1-CB 4.36Å; Y348-E500 HydrophobicContact CE1-CG 3.84Å; Y348-E500 HydrophobicContact CE2-CG 3.54Å; Y348-E500 WeakPolarHBondContact CE2-OE1 3.42Å; Y348-E500 HydrophobicContact CG-CG 3.95Å; E500-N502 VanDerWaalsContact C-N 3.25Å; E500-N502 PolarHBondContact O-N 3.12Å |
| 501 | D | 93.8 | Very high | 94.8 | Very high | 78 Ų | 78 | 57.4 Ų | 57.4 | 42% | 0.417 | 29% | 0.293 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -80.8 | 2.6 | 176 | 48.9 | 15.9 | 0 | 0 | 0 | 113.7 | G499 E503 K505 | G499-D501 PolarHBondContact O-N 3.02Å; D501-E503 HydrophobicContact CB-CG 4.32Å; D501-E503 PolarHBondContact O-N 3.25Å; D501-E503 WeakPolarHBondContact OD1-CB 3.41Å; D501-E503 PolarHBondContact OD1-N 3.05Å; D501-K505 WeakPolarHBondContact OD1-CE 3.45Å; D501-K505 IonicContact OD1-NZ 2.78Å; D501-K505 WeakPolarHBondContact OD2-CE 3.48Å; D501-K505 IonicContact OD2-NZ 2.6Å; D501-K505 PolarHBondContact OD2-NZ 3.03Å |
| 502 | N | 90.8 | Very high | 95 | Very high | 138 Ų | 138 | 54.2 Ų | 54.2 | 74% | 0.738 | 27% | 0.27 | S | S | * | . | S | Bend | trans | 61.5 | 12.1 | -169.2 | -63.3 | -62.3 | 0 | 0 | 0 | 114.8 | V498 G499 E500 | V498-N502 HydrophobicContact CG1-CB 4.47Å; G499-N502 PolarHBondContact O-N 3.35Å; E500-N502 VanDerWaalsContact C-N 3.25Å; E500-N502 PolarHBondContact O-N 3.12Å |
| 503 | E | 94.5 | Very high | 95.1 | Very high | 126 Ų | 126 | 50 Ų | 50 | 59% | 0.589 | 26% | 0.256 | S | S | * | . | trans | -82.6 | 150.5 | 173.2 | -61.8 | -165 | 160.6 | 0 | 0 | 111 | G499 D501 K505 | G499-E503 PolarHBondContact N-O 2.96Å; D501-E503 HydrophobicContact CB-CG 4.32Å; D501-E503 PolarHBondContact O-N 3.25Å; D501-E503 WeakPolarHBondContact OD1-CB 3.41Å; D501-E503 PolarHBondContact OD1-N 3.05Å; E503-K505 PolarHBondContact O-N 2.95Å | ||
| 504 | R | 93.9 | Very high | 95 | Very high | 179 Ų | 179 | 49.6 Ų | 49.6 | 68% | 0.675 | 25% | 0.254 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -81.3 | 117.3 | 173.7 | -72.2 | -170.1 | 180 | -149 | 3.2 | 109.5 | Y497 | Y497-R504 CarbonylContact O-C 3.57Å; Y497-R504 WeakPolarHBondContact O-CA 3.34Å |
| 505 | K | 95.3 | Very high | 95 | Very high | 77 Ų | 77 | 45 Ų | 45 | 34% | 0.335 | 22% | 0.221 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.3 | 156.6 | 177.6 | -62.6 | -174.7 | -175.3 | -179 | 0 | 110.4 | S496 Y497 D501 E503 | S496-K505 CarbonylContact C-O 3.57Å; S496-K505 WeakPolarHBondContact CA-O 3.28Å; Y497-K505 HydrophobicContact CD1-CB 4.25Å; Y497-K505 WeakPolarHBondContact CD1-O 3.27Å; Y497-K505 HydrophobicContact CE1-CB 3.61Å; Y497-K505 HydrophobicContact CE2-CB 4.17Å; Y497-K505 PolarHBondContact N-O 3.26Å; Y497-K505 PolarHBondContact O-N 3.04Å; D501-K505 WeakPolarHBondContact OD1-CE 3.45Å; D501-K505 IonicContact OD1-NZ 2.78Å; D501-K505 WeakPolarHBondContact OD2-CE 3.48Å; D501-K505 IonicContact OD2-NZ 2.6Å; D501-K505 PolarHBondContact OD2-NZ 3.03Å; E503-K505 PolarHBondContact O-N 2.95Å |
| 506 | V | 95.2 | Very high | 94.8 | Very high | 66 Ų | 66 | 45.3 Ų | 45.3 | 40% | 0.4 | 23% | 0.225 | S | C | . | . | P | Polyproline II helix | trans | -91.2 | 129 | 176.5 | 179.9 | 0 | 0 | 0 | 0 | 108.2 | P490 | P490-V506 HydrophobicContact CB-CG1 3.77Š|
| 507 | P | 96.4 | Very high | 94.7 | Very high | 2 Ų | 2 | 44.4 Ų | 44.4 | 1% | 0.013 | 22% | 0.218 | C | C | . | . | P | Polyproline II helix | trans | -73.4 | 149.9 | 175.9 | 32.4 | -34.9 | 0 | 0 | 0 | 110.6 | F341 L351 F387 P490 A495 Y497 | F341-P507 HydrophobicContact CE1-CG 3.84Å; F341-P507 HydrophobicContact CE2-CG 4.49Å; F341-P507 HydrophobicContact CZ-CB 4.27Å; F341-P507 HydrophobicContact CZ-CG 3.78Å; L351-P507 HydrophobicContact CD1-CB 4.39Å; F387-P507 HydrophobicContact CB-CB 4.29Å; F387-P507 HydrophobicContact CD1-CB 4.37Å; F387-P507 HydrophobicContact CD1-CG 3.96Å; P490-P507 HydrophobicContact CB-CG 4.29Å; P490-P507 VanDerWaalsContact CB-O 3.27Å; P490-P507 WeakPolarHBondContact CB-O 3.11Å; P490-P507 WeakPolarHBondContact CG-O 3.06Å; A495-P507 HydrophobicContact CB-CG 4.15Å; A495-P507 WeakPolarHBondContact O-CD 3.47Å; Y497-P507 HydrophobicContact CD1-CB 3.97Å; Y497-P507 HydrophobicContact CD1-CG 4.48Å; Y497-P507 HydrophobicContact CE1-CB 4.27Å |
| 508 | V | 94.3 | Very high | 94.6 | Very high | 4 Ų | 4 | 43.5 Ų | 43.5 | 2% | 0.024 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.8 | 139.6 | 166.9 | -178.2 | 0 | 0 | 0 | 0 | 108.5 | F387 C388 E390 I393 F487 | F387-V508 WeakPolarHBondContact CA-O 3.42Å; C388-V508 PolarHBondContact N-O 3.16Å; C388-V508 PolarHBondContact O-N 3Å; E390-V508 HydrophobicContact CG-CG2 3.77Å; I393-V508 HydrophobicContact CD1-CB 4.33Å; I393-V508 HydrophobicContact CD1-CG1 3.97Å; I393-V508 HydrophobicContact CD1-CG2 4.13Å; I393-V508 HydrophobicContact CG1-CB 4.37Å; I393-V508 HydrophobicContact CG1-CG1 4.14Å; F487-V508 HydrophobicContact CD1-CB 4.48Å; F487-V508 HydrophobicContact CD1-CG1 3.99Å; F487-V508 HydrophobicContact CD1-CG2 3.72Å; F487-V508 HydrophobicContact CE1-CB 4.36Å; F487-V508 HydrophobicContact CE1-CG1 3.75Å; F487-V508 HydrophobicContact CE1-CG2 3.62Å; F487-V508 HydrophobicContact CE2-CG1 4.49Å; F487-V508 HydrophobicContact CG-CG1 4.48Å; F487-V508 HydrophobicContact CZ-CG1 4.03Å |
| 509 | M | 96.4 | Very high | 94.6 | Very high | 0 Ų | 0 | 42.2 Ų | 42.2 | 0% | 0 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.7 | 125.4 | 178.9 | -175.7 | 163.5 | 68 | 0 | 0 | 110.9 | C334 V338 H385 I386 F387 D486 L489 P490 H511 | C334-M509 HydrophobicContact CB-CE 4.31Å; V338-M509 HydrophobicContact CG2-CE 3.97Å; V338-M509 HydrophobicContact CG2-SD 3.78Å; H385-M509 HydrophobicContact CB-CG 4.11Å; H385-M509 HydrophobicContact CB-SD 3.99Å; I386-M509 CarbonylContact O-C 3.59Å; I386-M509 VanDerWaalsContact O-CA 3.29Å; I386-M509 WeakPolarHBondContact O-CA 3.34Å; F387-M509 HydrophobicContact CE1-CG 4.34Å; F387-M509 HydrophobicContact CE1-SD 3.67Å; F387-M509 HydrophobicContact CE2-SD 4.14Å; F387-M509 HydrophobicContact CZ-CG 4.32Å; F387-M509 HydrophobicContact CZ-SD 3.43Å; F387-M509 WeakPolarHBondContact CZ-SD 3.35Å; D486-M509 PolarHBondContact N-O 2.72Å; D486-M509 PolarHBondContact O-N 3.07Å; L489-M509 HydrophobicContact CB-CE 3.8Å; L489-M509 HydrophobicContact CD2-CE 3.48Å; L489-M509 VanDerWaalsContact CD2-CE 3.48Å; L489-M509 HydrophobicContact CG-CE 3.81Å; P490-M509 HydrophobicContact CG-CB 3.53Å; P490-M509 HydrophobicContact CG-CE 4.31Å; M509-H511 VanDerWaalsContact CE-CE1 3.49Å; M509-H511 WeakPolarHBondContact CE-CE1 3.36Å; M509-H511 WeakPolarHBondContact CE-NE2 3.46Å |
| 510 | I | 96.5 | Very high | 94.6 | Very high | 0 Ų | 0 | 45.5 Ų | 45.5 | 0% | 0 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.8 | 113.9 | 173.6 | -48 | -178 | 0 | 0 | 0 | 108.1 | H385 I386 E396 V397 V483 Q484 L485 | H385-I510 WeakPolarHBondContact CA-O 3.45Å; I386-I510 HydrophobicContact CB-CB 4.15Å; I386-I510 PolarHBondContact N-O 3.04Å; I386-I510 PolarHBondContact O-N 3.19Å; E396-I510 HydrophobicContact CB-CD1 3.6Å; V397-I510 HydrophobicContact CG2-CD1 4.07Å; V483-I510 HydrophobicContact CG1-CG2 3.72Å; Q484-I510 CarbonylContact O-C 3.58Å; Q484-I510 WeakPolarHBondContact O-CA 3.39Å; L485-I510 HydrophobicContact CD2-CD1 4.09Å; L485-I510 HydrophobicContact CD2-CG1 3.77Å; L485-I510 HydrophobicContact CD2-CG2 4.35Å |
| 511 | H | 95.7 | Very high | 94.7 | Very high | 16 Ų | 16 | 38.4 Ų | 38.4 | 7% | 0.074 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.9 | 131.6 | 173.4 | -59.6 | -122.4 | 0 | 0 | 0 | 108.3 | H385 V483 Q484 D486 M509 | H385-H511 AromaticContact CD2-CE1 3.74Å; H385-H511 AromaticContact CD2-CG 3.63Å; H385-H511 AromaticContact CD2-ND1 3.3Å; H385-H511 PolarHBondContact CD2-ND1 2.85Å; H385-H511 VanDerWaalsContact CD2-ND1 3.3Å; H385-H511 AromaticContact NE2-CE1 3.87Å; H385-H511 AromaticContact NE2-CG 3.91Å; H385-H511 AromaticContact NE2-ND1 3.23Å; H385-H511 PolarHBondContact NE2-ND1 3.31Å; V483-H511 WeakPolarHBondContact CA-O 3.37Å; Q484-H511 HydrophobicContact CB-CB 4.19Å; Q484-H511 PolarHBondContact N-O 3.31Å; Q484-H511 PolarHBondContact O-N 2.83Å; D486-H511 VanDerWaalsContact CB-CD2 3.47Å; D486-H511 WeakPolarHBondContact CB-CD2 3.37Å; D486-H511 WeakPolarHBondContact CB-NE2 3.48Å; D486-H511 IonicContact OD2-CE1 3.55Å; D486-H511 IonicContact OD2-NE2 3.55Å; D486-H511 PolarHBondContact OD2-NE2 3.29Å; D486-H511 VanDerWaalsContact OD2-NE2 3.09Å; M509-H511 VanDerWaalsContact CE-CE1 3.49Å; M509-H511 WeakPolarHBondContact CE-CE1 3.36Å; M509-H511 WeakPolarHBondContact CE-NE2 3.46Å |
| 512 | R | 95.3 | Very high | 94.8 | Very high | 4 Ų | 4 | 34.7 Ų | 34.7 | 2% | 0.015 | 17% | 0.165 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -145.2 | 149.1 | 174 | 68.7 | 77.7 | 151.6 | 171.4 | -3.5 | 113.5 | Y290 D382 A384 T482 V483 | Y290-R512 VanDerWaalsContact CE1-NH2 3.3Å; Y290-R512 VanDerWaalsContact CE2-NH2 3.3Å; Y290-R512 PolarHBondContact OH-NE 3.27Å; Y290-R512 VanDerWaalsContact OH-NE 3.13Å; Y290-R512 PolarHBondContact OH-NH2 2.96Å; D382-R512 PolarHBondContact O-NH1 3.31Å; A384-R512 HydrophobicContact CB-CG 4.12Å; A384-R512 PolarHBondContact N-O 3.48Å; A384-R512 PolarHBondContact O-N 3.24Å; T482-R512 WeakPolarHBondContact O-CA 3.44Å; T482-R512 WeakPolarHBondContact O-CB 3.12Å; V483-R512 HydrophobicContact CG2-CB 4.25Å |
| 513 | A | 94.2 | Very high | 95 | Very high | 7 Ų | 7 | 28.1 Ų | 28.1 | 6% | 0.058 | 13% | 0.13 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.4 | 142.3 | 163.6 | 0 | 0 | 0 | 0 | 0 | 107.2 | G481 T482 | G481-A513 CarbonylContact C-O 3.52Å; G481-A513 VanDerWaalsContact CA-O 3.27Å; G481-A513 WeakPolarHBondContact CA-O 3.43Å; T482-A513 PolarHBondContact N-O 2.74Å; T482-A513 PolarHBondContact O-N 3.45Å; T482-A513 VanDerWaalsContact O-N 3.1Å |
| 514 | I | 93.5 | Very high | 94.9 | Very high | 0 Ų | 0 | 22.2 Ų | 22.2 | 0% | 0 | 10% | 0.102 | C | C | . | . | S | Bend | trans | -101.6 | -56.5 | -176.9 | -50.2 | -66.2 | 0 | 0 | 0 | 109.4 | D382 L403 V404 M407 Y408 G481 | D382-I514 PolarHBondContact OD1-N 3.26Å; D382-I514 WeakPolarHBondContact OD2-CA 3.13Å; D382-I514 VanDerWaalsContact OD2-CB 3.29Å; D382-I514 WeakPolarHBondContact OD2-CB 3.29Å; D382-I514 PolarHBondContact OD2-N 3.33Å; L403-I514 HydrophobicContact CB-CD1 4.48Å; L403-I514 HydrophobicContact CD2-CD1 3.97Å; L403-I514 HydrophobicContact CD2-CG1 4.02Å; L403-I514 HydrophobicContact CG-CD1 4.03Å; L403-I514 HydrophobicContact CG-CG1 4.17Å; V404-I514 HydrophobicContact CB-CD1 4.45Å; V404-I514 HydrophobicContact CB-CG2 4.37Å; V404-I514 HydrophobicContact CG2-CD1 3.39Å; V404-I514 HydrophobicContact CG2-CG2 4.11Å; M407-I514 HydrophobicContact CB-CG2 3.92Å; M407-I514 HydrophobicContact CE-CB 4.07Å; M407-I514 HydrophobicContact CE-CG2 3.92Å; M407-I514 HydrophobicContact CG-CG2 4.25Å; M407-I514 HydrophobicContact SD-CB 3.88Å; M407-I514 HydrophobicContact SD-CG1 4.03Å; M407-I514 HydrophobicContact SD-CG2 3.53Å; M407-I514 VanDerWaalsContact SD-CG2 3.53Å; Y408-I514 HydrophobicContact CE1-CG2 4.24Å; Y408-I514 WeakPolarHBondContact CE1-O 3.39Å; Y408-I514 VanDerWaalsContact CZ-O 3.31Å; Y408-I514 PolarHBondContact OH-O 3.42Å; G481-I514 WeakPolarHBondContact CA-O 3.33Å; G481-I514 PolarHBondContact N-O 2.75Å |
| 515 | L | 93.1 | Very high | 94.9 | Very high | 1 Ų | 1 | 13.7 Ų | 13.7 | 1% | 0.005 | 7% | 0.07 | C | C | . | . | S | Bend | trans | -83.2 | -22.4 | 176.6 | -54.9 | -172.8 | 0 | 0 | 0 | 111.8 | V281 D382 M407 Y408 F411 M518 F521 | V281-L515 HydrophobicContact CG2-CD1 3.48Å; V281-L515 VanDerWaalsContact CG2-CD1 3.48Å; V281-L515 HydrophobicContact CG2-CG 4.31Å; D382-L515 PolarHBondContact OD1-N 2.86Å; D382-L515 PolarHBondContact OD2-N 3.07Å; M407-L515 HydrophobicContact CE-CD1 3.98Å; M407-L515 HydrophobicContact CE-CD2 3.76Å; M407-L515 HydrophobicContact CE-CG 3.65Å; Y408-L515 HydrophobicContact CD1-CD2 4.38Å; Y408-L515 HydrophobicContact CE1-CD2 4.1Å; F411-L515 HydrophobicContact CE2-CD2 4.07Å; L515-M518 HydrophobicContact CD1-SD 4.47Å; L515-F521 HydrophobicContact CB-CB 4.3Å; L515-F521 HydrophobicContact CB-CD1 4.11Å; L515-F521 HydrophobicContact CB-CD2 4.13Å; L515-F521 HydrophobicContact CB-CE1 4.48Å; L515-F521 HydrophobicContact CB-CG 3.92Å; L515-F521 HydrophobicContact CD1-CD1 3.83Å; L515-F521 HydrophobicContact CD1-CE1 3.83Å; L515-F521 HydrophobicContact CD1-CG 4.49Å; L515-F521 HydrophobicContact CD2-CD1 4.27Å; L515-F521 HydrophobicContact CD2-CD2 4.36Å; L515-F521 HydrophobicContact CD2-CE1 3.79Å; L515-F521 HydrophobicContact CD2-CE2 3.93Å; L515-F521 HydrophobicContact CD2-CZ 3.63Å; L515-F521 HydrophobicContact CG-CD1 4.29Å; L515-F521 HydrophobicContact CG-CE1 4.24Å; L515-F521 HydrophobicContact CG-CZ 4.49Å |
| 516 | G | 92.7 | Very high | 94.9 | Very high | 8 Ų | 8 | 10 Ų | 10 | 8% | 0.082 | 5% | 0.054 | C | C | . | . | trans | 88 | -136.4 | -174.6 | 0 | 0 | 0 | 0 | 0 | 110.2 | Q381 D382 | Q381-G516 WeakPolarHBondContact CA-O 3.26Å; D382-G516 PolarHBondContact N-O 3.08Å; D382-G516 PolarHBondContact OD1-N 3.41Å | ||
| 517 | S | 94.4 | Very high | 94.7 | Very high | 19 Ų | 19 | 7 Ų | 7 | 13% | 0.133 | 4% | 0.036 | C | C | . | . | B | Isolated β-bridge | trans | -78.7 | 135.4 | 169.9 | 64.7 | 0 | 0 | 0 | 0 | 111.2 | T380 E519 R520 F521 | T380-S517 CarbonylContact O-C 3.1Å; T380-S517 WeakPolarHBondContact O-CA 3.43Å; S517-E519 PolarHBondContact O-N 3.31Å; S517-R520 PolarHBondContact O-N 3.49Å; S517-R520 VanDerWaalsContact O-N 3.15Å; S517-R520 WeakPolarHBondContact OG-CB 3.4Å; S517-R520 PolarHBondContact OG-N 2.93Å; S517-F521 WeakPolarHBondContact O-CB 3.29Å; S517-F521 PolarHBondContact O-N 3.39Å |
| 518 | M | 96 | Very high | 94.4 | Very high | 0 Ų | 0 | 8.8 Ų | 8.8 | 0% | 0 | 4% | 0.044 | C | C | . | . | H | α-helix | trans | -59.3 | -37.9 | 178.6 | -64.3 | -64.4 | -72.4 | 0 | 0 | 111.2 | F274 L277 E278 T380 L515 F521 I522 | F274-M518 HydrophobicContact CD2-CB 4.02Å; F274-M518 HydrophobicContact CE1-CB 4.4Å; F274-M518 HydrophobicContact CE1-CG 4.43Å; F274-M518 HydrophobicContact CE2-CB 3.37Å; F274-M518 HydrophobicContact CE2-CG 4.21Å; F274-M518 HydrophobicContact CZ-CB 3.59Å; F274-M518 HydrophobicContact CZ-CG 3.92Å; L277-M518 HydrophobicContact CB-CE 3.33Å; L277-M518 HydrophobicContact CD1-CE 4.19Å; L277-M518 HydrophobicContact CG-CE 4.41Å; E278-M518 HydrophobicContact CG-CE 4.17Å; T380-M518 WeakPolarHBondContact O-CG 3.26Å; T380-M518 PolarHBondContact O-N 3.41Å; L515-M518 HydrophobicContact CD1-SD 4.47Å; M518-F521 PolarHBondContact O-N 3.35Å; M518-I522 WeakPolarHBondContact O-CB 3.35Å; M518-I522 WeakPolarHBondContact O-CD1 3.28Å; M518-I522 WeakPolarHBondContact O-CG1 3.39Å; M518-I522 PolarHBondContact O-N 3.15Å |
| 519 | E | 96.8 | Very high | 94.2 | Very high | 9 Ų | 9 | 10.4 Ų | 10.4 | 4% | 0.042 | 5% | 0.05 | C | C | . | . | H | α-helix | trans | -56.6 | -55.6 | 173.6 | -64.1 | 67.9 | -161.1 | 0 | 0 | 110.6 | V264 W266 L373 V376 F379 T380 S517 F521 I522 G523 | V264-E519 HydrophobicContact CG2-CG 3.93Å; W266-E519 HydrophobicContact CZ2-CB 4.35Å; W266-E519 HydrophobicContact CZ2-CG 3.96Å; L373-E519 WeakPolarHBondContact CB-O 3.44Å; L373-E519 CarbonylContact O-C 3.58Å; V376-E519 HydrophobicContact CG2-CB 4.26Å; V376-E519 HydrophobicContact CG2-CG 4.37Å; F379-E519 VanDerWaalsContact CA-OE2 3.29Å; F379-E519 WeakPolarHBondContact CA-OE2 3.33Å; F379-E519 WeakPolarHBondContact CB-OE2 3.33Å; T380-E519 PolarHBondContact N-OE1 3.5Å; T380-E519 PolarHBondContact N-OE2 2.9Å; S517-E519 PolarHBondContact O-N 3.31Å; E519-F521 VanDerWaalsContact C-N 3.34Å; E519-F521 PolarHBondContact O-N 3.44Å; E519-I522 PolarHBondContact O-N 3.33Å; E519-G523 PolarHBondContact O-N 2.82Å |
| 520 | R | 94.2 | Very high | 93.9 | Very high | 72 Ų | 72 | 11 Ų | 11 | 27% | 0.272 | 6% | 0.055 | S | C | . | . | H | α-helix | trans | -63 | -43 | -178.4 | -176.4 | 176.2 | -174.2 | -171.9 | 2.1 | 110.9 | L373 M374 Q479 S517 G523 I524 | L373-R520 VanDerWaalsContact O-CA 3.27Å; L373-R520 WeakPolarHBondContact O-CA 3.4Å; L373-R520 PolarHBondContact O-N 3.14Å; M374-R520 HydrophobicContact SD-CG 4.17Å; Q479-R520 PolarHBondContact O-NH1 3.42Å; S517-R520 PolarHBondContact O-N 3.49Å; S517-R520 VanDerWaalsContact O-N 3.15Å; S517-R520 WeakPolarHBondContact OG-CB 3.4Å; S517-R520 PolarHBondContact OG-N 2.93Å; R520-G523 CarbonylContact O-C 3.55Å; R520-G523 VanDerWaalsContact O-CA 3.32Å; R520-G523 WeakPolarHBondContact O-CA 3.2Å; R520-G523 PolarHBondContact O-N 3.16Å; R520-G523 VanDerWaalsContact O-N 3.11Å; R520-I524 HydrophobicContact CG-CD1 4.14Å; R520-I524 WeakPolarHBondContact O-CG1 3.4Å; R520-I524 PolarHBondContact O-N 3.44Å |
| 521 | F | 95.1 | Very high | 93.7 | Very high | 0 Ų | 0 | 11.1 Ų | 11.1 | 0% | 0 | 6% | 0.056 | C | C | . | . | H | α-helix | trans | -64.6 | -42.9 | 179.6 | -164.6 | -110.1 | 0 | 0 | 0 | 112.1 | L277 F411 F413 L515 S517 M518 E519 G523 I524 L525 | L277-F521 HydrophobicContact CD1-CD1 4.31Å; L277-F521 HydrophobicContact CD2-CD1 4.45Å; L277-F521 HydrophobicContact CD2-CE1 4.26Å; F411-F521 HydrophobicContact CD1-CE1 4.31Å; F411-F521 HydrophobicContact CD1-CZ 4.38Å; F411-F521 HydrophobicContact CD2-CE1 4.07Å; F411-F521 AromaticContact CD2-CZ 3.65Å; F411-F521 HydrophobicContact CD2-CZ 3.65Å; F411-F521 AromaticContact CE1-CE1 3.98Å; F411-F521 HydrophobicContact CE1-CE1 3.98Å; F411-F521 HydrophobicContact CE1-CZ 4.43Å; F411-F521 AromaticContact CE2-CE1 3.72Å; F411-F521 HydrophobicContact CE2-CE1 3.72Å; F411-F521 AromaticContact CE2-CZ 3.72Å; F411-F521 HydrophobicContact CE2-CZ 3.72Å; F411-F521 HydrophobicContact CG-CE1 4.36Å; F411-F521 HydrophobicContact CG-CZ 4.01Å; F411-F521 AromaticContact CZ-CE1 3.68Å; F411-F521 HydrophobicContact CZ-CE1 3.68Å; F411-F521 HydrophobicContact CZ-CZ 4.13Å; F413-F521 HydrophobicContact CE2-CE2 4.16Å; F413-F521 HydrophobicContact CE2-CZ 4.18Å; L515-F521 HydrophobicContact CB-CB 4.3Å; L515-F521 HydrophobicContact CB-CD1 4.11Å; L515-F521 HydrophobicContact CB-CD2 4.13Å; L515-F521 HydrophobicContact CB-CE1 4.48Å; L515-F521 HydrophobicContact CB-CG 3.92Å; L515-F521 HydrophobicContact CD1-CD1 3.83Å; L515-F521 HydrophobicContact CD1-CE1 3.83Å; L515-F521 HydrophobicContact CD1-CG 4.49Å; L515-F521 HydrophobicContact CD2-CD1 4.27Å; L515-F521 HydrophobicContact CD2-CD2 4.36Å; L515-F521 HydrophobicContact CD2-CE1 3.79Å; L515-F521 HydrophobicContact CD2-CE2 3.93Å; L515-F521 HydrophobicContact CD2-CZ 3.63Å; L515-F521 HydrophobicContact CG-CD1 4.29Å; L515-F521 HydrophobicContact CG-CE1 4.24Å; L515-F521 HydrophobicContact CG-CZ 4.49Å; S517-F521 WeakPolarHBondContact O-CB 3.29Å; S517-F521 PolarHBondContact O-N 3.39Å; M518-F521 PolarHBondContact O-N 3.35Å; E519-F521 VanDerWaalsContact C-N 3.34Å; E519-F521 PolarHBondContact O-N 3.44Å; F521-G523 VanDerWaalsContact C-N 3.26Å; F521-G523 PolarHBondContact O-N 2.9Å; F521-I524 PolarHBondContact O-N 3.02Å; F521-I524 VanDerWaalsContact O-N 3.14Å; F521-L525 HydrophobicContact CD1-CD1 3.73Å; F521-L525 HydrophobicContact CD1-CG 4.04Å; F521-L525 HydrophobicContact CE1-CD1 3.53Å; F521-L525 HydrophobicContact CE1-CD2 3.95Å; F521-L525 HydrophobicContact CE1-CG 3.81Å; F521-L525 HydrophobicContact CZ-CD1 4.34Å; F521-L525 HydrophobicContact CZ-CD2 3.92Å; F521-L525 HydrophobicContact CZ-CG 4.18Å; F521-L525 WeakPolarHBondContact O-CG 2.95Å; F521-L525 PolarHBondContact O-N 3.26Å |
| 522 | I | 96.4 | Very high | 93.6 | Very high | 1 Ų | 1 | 13.4 Ų | 13.4 | 1% | 0.005 | 7% | 0.066 | C | C | . | . | H | α-helix | trans | -60.7 | -38.9 | 171.5 | -69.1 | 165.3 | 0 | 0 | 0 | 110.7 | W266 I273 F274 L277 L373 M518 E519 T526 | W266-I522 HydrophobicContact CH2-CB 4.1Å; W266-I522 HydrophobicContact CH2-CD1 3.62Å; W266-I522 HydrophobicContact CH2-CG1 4.48Å; W266-I522 HydrophobicContact CH2-CG2 3.83Å; W266-I522 HydrophobicContact CZ2-CD1 4.05Å; W266-I522 HydrophobicContact CZ3-CD1 4.21Å; W266-I522 HydrophobicContact CZ3-CG2 4.07Å; I273-I522 HydrophobicContact CG2-CG1 4.24Å; F274-I522 HydrophobicContact CB-CD1 3.84Å; F274-I522 HydrophobicContact CD2-CD1 3.59Å; F274-I522 HydrophobicContact CG-CD1 4.07Å; L277-I522 HydrophobicContact CD1-CD1 4.18Å; L277-I522 HydrophobicContact CD1-CG1 3.51Å; L373-I522 HydrophobicContact CD1-CB 4.49Å; L373-I522 HydrophobicContact CD1-CG2 4.09Å; M518-I522 WeakPolarHBondContact O-CB 3.35Å; M518-I522 WeakPolarHBondContact O-CD1 3.28Å; M518-I522 WeakPolarHBondContact O-CG1 3.39Å; M518-I522 PolarHBondContact O-N 3.15Å; E519-I522 PolarHBondContact O-N 3.33Å; I522-T526 VanDerWaalsContact O-CB 3.29Å; I522-T526 WeakPolarHBondContact O-CB 3.28Å; I522-T526 PolarHBondContact O-N 3.47Å; I522-T526 PolarHBondContact O-OG1 3.28Å |
| 523 | G | 94.9 | Very high | 93.5 | Very high | 0 Ų | 0 | 13.4 Ų | 13.4 | 0% | 0 | 7% | 0.066 | C | C | . | . | H | α-helix | trans | -52.2 | -57.6 | 169.7 | 0 | 0 | 0 | 0 | 0 | 111.2 | M374 E519 R520 F521 L525 T526 E527 | M374-G523 VanDerWaalsContact CE-C 3.45Å; E519-G523 PolarHBondContact O-N 2.82Å; R520-G523 CarbonylContact O-C 3.55Å; R520-G523 VanDerWaalsContact O-CA 3.32Å; R520-G523 WeakPolarHBondContact O-CA 3.2Å; R520-G523 PolarHBondContact O-N 3.16Å; R520-G523 VanDerWaalsContact O-N 3.11Å; F521-G523 VanDerWaalsContact C-N 3.26Å; F521-G523 PolarHBondContact O-N 2.9Å; G523-L525 PolarHBondContact O-N 3.11Å; G523-T526 WeakPolarHBondContact O-CB 3.42Å; G523-T526 PolarHBondContact O-N 2.82Å; G523-E527 WeakPolarHBondContact O-CG 3.16Å; G523-E527 PolarHBondContact O-N 3.3Å; G523-E527 VanDerWaalsContact O-N 3.15Å |
| 524 | I | 92.9 | Very high | 93.5 | Very high | 1 Ų | 1 | 13.2 Ų | 13.2 | 1% | 0.005 | 6% | 0.064 | C | C | . | . | H | α-helix | trans | -57.5 | -50.9 | 179.9 | -64.7 | 164.3 | 0 | 0 | 0 | 111 | M374 F413 W478 C480 R520 F521 T526 E527 E528 | M374-I524 HydrophobicContact CE-CG1 4.14Å; M374-I524 HydrophobicContact SD-CG1 4.11Å; F413-I524 HydrophobicContact CE1-CG2 4.4Å; F413-I524 HydrophobicContact CZ-CG2 3.89Å; W478-I524 HydrophobicContact CB-CD1 3.63Å; W478-I524 HydrophobicContact CB-CG1 4.36Å; W478-I524 HydrophobicContact CD2-CD1 4.01Å; W478-I524 HydrophobicContact CD2-CG1 3.87Å; W478-I524 HydrophobicContact CE3-CD1 4.29Å; W478-I524 HydrophobicContact CE3-CG1 4.26Å; W478-I524 HydrophobicContact CG-CD1 3.73Å; W478-I524 HydrophobicContact CG-CG1 3.9Å; C480-I524 WeakPolarHBondContact SG-CD1 3.26Å; R520-I524 HydrophobicContact CG-CD1 4.14Å; R520-I524 WeakPolarHBondContact O-CG1 3.4Å; R520-I524 PolarHBondContact O-N 3.44Å; F521-I524 PolarHBondContact O-N 3.02Å; F521-I524 VanDerWaalsContact O-N 3.14Å; I524-T526 VanDerWaalsContact C-N 3.27Å; I524-T526 PolarHBondContact O-N 3.26Å; I524-E527 PolarHBondContact O-N 2.96Å; I524-E527 VanDerWaalsContact O-N 3.1Å; I524-E528 VanDerWaalsContact O-CB 3.32Å; I524-E528 WeakPolarHBondContact O-CB 2.98Å; I524-E528 PolarHBondContact O-N 2.99Å |
| 525 | L | 93.9 | Very high | 93.6 | Very high | 0 Ų | 0 | 13.4 Ų | 13.4 | 0% | 0 | 7% | 0.066 | C | C | . | . | H | α-helix | trans | -60 | -36.4 | 178.7 | -66.1 | 178.6 | 0 | 0 | 0 | 112.6 | L277 F411 F413 F521 G523 E527 F529 F533 L537 | L277-L525 HydrophobicContact CD1-CD1 4.05Å; L277-L525 HydrophobicContact CD2-CD1 3.96Å; F411-L525 HydrophobicContact CB-CD2 4.21Å; F411-L525 HydrophobicContact CD1-CD1 4.23Å; F411-L525 HydrophobicContact CD1-CD2 3.68Å; F411-L525 HydrophobicContact CE1-CD1 4.06Å; F411-L525 HydrophobicContact CE1-CD2 4.33Å; F411-L525 HydrophobicContact CG-CD2 4.08Å; F413-L525 HydrophobicContact CE2-CD2 4.02Å; F413-L525 HydrophobicContact CZ-CD2 4.23Å; F521-L525 HydrophobicContact CD1-CD1 3.73Å; F521-L525 HydrophobicContact CD1-CG 4.04Å; F521-L525 HydrophobicContact CE1-CD1 3.53Å; F521-L525 HydrophobicContact CE1-CD2 3.95Å; F521-L525 HydrophobicContact CE1-CG 3.81Å; F521-L525 HydrophobicContact CZ-CD1 4.34Å; F521-L525 HydrophobicContact CZ-CD2 3.92Å; F521-L525 HydrophobicContact CZ-CG 4.18Å; F521-L525 WeakPolarHBondContact O-CG 2.95Å; F521-L525 PolarHBondContact O-N 3.26Å; G523-L525 PolarHBondContact O-N 3.11Å; L525-E527 VanDerWaalsContact C-N 3.34Å; L525-F529 HydrophobicContact CB-CD2 4.31Å; L525-F529 HydrophobicContact CB-CE2 4.32Å; L525-F529 HydrophobicContact CD2-CE2 3.85Å; L525-F529 HydrophobicContact CD2-CZ 4.48Å; L525-F529 VanDerWaalsContact O-CD2 3.23Å; L525-F529 WeakPolarHBondContact O-CD2 3.28Å; L525-F529 PolarHBondContact O-N 3.17Å; L525-F533 HydrophobicContact CB-CE1 4.39Å; L525-L537 HydrophobicContact CD1-CD1 4.26Å |
| 526 | T | 94.4 | Very high | 93.7 | Very high | 0 Ų | 0 | 13.7 Ų | 13.7 | 0% | 0 | 7% | 0.067 | C | C | . | . | H | α-helix | trans | -64.5 | -40.7 | 177.3 | -58.9 | 0 | 0 | 0 | 0 | 111 | H244 I247 I522 G523 I524 A530 G531 F533 | H244-T526 HydrophobicContact CB-CG2 3.92Å; I247-T526 HydrophobicContact CB-CG2 3.8Å; I247-T526 HydrophobicContact CD1-CG2 4.41Å; I247-T526 HydrophobicContact CG2-CG2 3.44Å; I247-T526 VanDerWaalsContact CG2-CG2 3.44Å; I522-T526 VanDerWaalsContact O-CB 3.29Å; I522-T526 WeakPolarHBondContact O-CB 3.28Å; I522-T526 PolarHBondContact O-N 3.47Å; I522-T526 PolarHBondContact O-OG1 3.28Å; G523-T526 WeakPolarHBondContact O-CB 3.42Å; G523-T526 PolarHBondContact O-N 2.82Å; I524-T526 VanDerWaalsContact C-N 3.27Å; I524-T526 PolarHBondContact O-N 3.26Å; T526-A530 CarbonylContact O-C 3.24Å; T526-A530 VanDerWaalsContact O-CA 3.31Å; T526-A530 WeakPolarHBondContact O-CA 3.45Å; T526-A530 PolarHBondContact O-N 3.37Å; T526-G531 PolarHBondContact O-N 3.17Å; T526-F533 HydrophobicContact CG2-CZ 4.23Å; T526-F533 WeakPolarHBondContact OG1-CZ 3.23Å |
| 527 | E | 91.9 | Very high | 93.8 | Very high | 4 Ų | 4 | 13.3 Ų | 13.3 | 2% | 0.019 | 6% | 0.063 | C | C | . | . | H | α-helix | trans | -75.1 | -41.2 | 178.1 | -51.1 | -160.3 | 147.8 | 0 | 0 | 111.4 | R242 D243 H244 M374 R476 G523 I524 L525 A530 | R242-E527 HydrophobicContact CB-CB 4.41Å; R242-E527 WeakPolarHBondContact O-CA 3.27Å; R242-E527 WeakPolarHBondContact O-CG 3.49Å; D243-E527 VanDerWaalsContact CA-OE1 3.31Å; D243-E527 WeakPolarHBondContact CA-OE1 3.19Å; H244-E527 HydrophobicContact CB-CG 3.74Å; H244-E527 IonicContact CE1-OE1 3.59Å; H244-E527 IonicContact CG-OE1 2.63Å; H244-E527 PolarHBondContact N-OE1 3.16Å; H244-E527 IonicContact ND1-OE1 3.73Å; H244-E527 PolarHBondContact ND1-OE1 3.4Å; M374-E527 HydrophobicContact CE-CG 4.13Å; R476-E527 IonicContact CZ-OE2 3.71Å; R476-E527 IonicContact NH1-OE2 3.13Å; R476-E527 PolarHBondContact NH1-OE2 2.76Å; R476-E527 IonicContact NH2-OE2 3.83Å; R476-E527 PolarHBondContact NH2-OE2 2.65Å; G523-E527 WeakPolarHBondContact O-CG 3.16Å; G523-E527 PolarHBondContact O-N 3.3Å; G523-E527 VanDerWaalsContact O-N 3.15Å; I524-E527 PolarHBondContact O-N 2.96Å; I524-E527 VanDerWaalsContact O-N 3.1Å; L525-E527 VanDerWaalsContact C-N 3.34Å; E527-A530 PolarHBondContact O-N 3.44Å; E527-A530 VanDerWaalsContact O-N 3.09Å |
| 528 | E | 90.1 | Very high | 93.9 | Very high | 39 Ų | 39 | 12.6 Ų | 12.6 | 18% | 0.182 | 6% | 0.058 | C | C | . | . | H | α-helix | trans | -57.3 | -56.2 | 178.9 | -177.6 | 54.2 | -142.3 | 0 | 0 | 111.5 | R242 F413 D472 C473 I524 A530 | R242-E528 PolarHBondContact NH1-O 3.09Å; F413-E528 HydrophobicContact CE1-CG 3.95Å; F413-E528 HydrophobicContact CZ-CB 4.42Å; F413-E528 HydrophobicContact CZ-CG 4.08Å; D472-E528 WeakPolarHBondContact CA-OE2 3.26Å; D472-E528 WeakPolarHBondContact CB-OE2 3.35Å; C473-E528 WeakPolarHBondContact CB-OE1 3.45Å; C473-E528 WeakPolarHBondContact CB-OE2 3.42Å; C473-E528 PolarHBondContact N-OE2 2.9Å; C473-E528 PolarHBondContact SG-OE2 3.06Å; I524-E528 VanDerWaalsContact O-CB 3.32Å; I524-E528 WeakPolarHBondContact O-CB 2.98Å; I524-E528 PolarHBondContact O-N 2.99Å; E528-A530 PolarHBondContact O-N 2.9Å |
| 529 | F | 90.3 | Very high | 94 | Very high | 37 Ų | 37 | 13.8 Ų | 13.8 | 16% | 0.162 | 7% | 0.065 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -80.2 | 1 | 178.5 | -59.4 | -52.1 | 0 | 0 | 0 | 113.1 | L525 G531 F532 F533 P534 L637 | L525-F529 HydrophobicContact CB-CD2 4.31Å; L525-F529 HydrophobicContact CB-CE2 4.32Å; L525-F529 HydrophobicContact CD2-CE2 3.85Å; L525-F529 HydrophobicContact CD2-CZ 4.48Å; L525-F529 VanDerWaalsContact O-CD2 3.23Å; L525-F529 WeakPolarHBondContact O-CD2 3.28Å; L525-F529 PolarHBondContact O-N 3.17Å; F529-G531 PolarHBondContact O-N 2.93Å; F529-G531 VanDerWaalsContact O-N 3.12Å; F529-F532 WeakPolarHBondContact O-CA 3.38Å; F529-F532 WeakPolarHBondContact O-CB 3.17Å; F529-F532 PolarHBondContact O-N 2.61Å; F529-F533 HydrophobicContact CD2-CD1 4.06Å; F529-P534 HydrophobicContact CD2-CG 4.41Å; F529-P534 HydrophobicContact CE1-CG 4.06Å; F529-P534 VanDerWaalsContact CE2-CD 3.49Å; F529-P534 HydrophobicContact CE2-CG 3.9Å; F529-P534 HydrophobicContact CZ-CG 3.73Å; F529-L637 HydrophobicContact CE1-CD2 4.23Å; F529-L637 HydrophobicContact CZ-CD2 3.91Å |
| 530 | A | 90.5 | Very high | 94 | Very high | 13 Ų | 13 | 14 Ų | 14 | 11% | 0.107 | 7% | 0.067 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 46 | 41.8 | -169 | 0 | 0 | 0 | 0 | 0 | 110.9 | R242 T526 E527 E528 F532 R589 | R242-A530 HydrophobicContact CG-CB 3.82Å; T526-A530 CarbonylContact O-C 3.24Å; T526-A530 VanDerWaalsContact O-CA 3.31Å; T526-A530 WeakPolarHBondContact O-CA 3.45Å; T526-A530 PolarHBondContact O-N 3.37Å; E527-A530 PolarHBondContact O-N 3.44Å; E527-A530 VanDerWaalsContact O-N 3.09Å; E528-A530 PolarHBondContact O-N 2.9Å; A530-F532 HydrophobicContact CB-CD2 4.34Å; A530-F532 VanDerWaalsContact O-CD2 3.3Å; A530-F532 WeakPolarHBondContact O-CD2 3.46Å; A530-F532 PolarHBondContact O-N 2.76Å; A530-R589 PolarHBondContact O-NE 2.83Å; A530-R589 PolarHBondContact O-NH1 3.49Å; A530-R589 PolarHBondContact O-NH2 2.85Å |
| 531 | G | 92.1 | Very high | 94.1 | Very high | 2 Ų | 2 | 10.6 Ų | 10.6 | 2% | 0.021 | 6% | 0.055 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 63.2 | 9.3 | -174.1 | 0 | 0 | 0 | 0 | 0 | 117 | T526 F529 F533 R589 | T526-G531 PolarHBondContact O-N 3.17Å; F529-G531 PolarHBondContact O-N 2.93Å; F529-G531 VanDerWaalsContact O-N 3.12Å; G531-F533 PolarHBondContact O-N 3.03Å; G531-R589 VanDerWaalsContact C-CD 3.4Å; G531-R589 WeakPolarHBondContact O-CD 3.44Å |
| 532 | F | 92.4 | Very high | 94.3 | Very high | 64 Ų | 64 | 10.6 Ų | 10.6 | 28% | 0.281 | 6% | 0.055 | S | C | . | . | trans | -87.1 | 60.8 | 168.8 | -67.2 | -88.6 | 0 | 0 | 0 | 110 | F529 A530 R589 R611 | F529-F532 WeakPolarHBondContact O-CA 3.38Å; F529-F532 WeakPolarHBondContact O-CB 3.17Å; F529-F532 PolarHBondContact O-N 2.61Å; A530-F532 HydrophobicContact CB-CD2 4.34Å; A530-F532 VanDerWaalsContact O-CD2 3.3Å; A530-F532 WeakPolarHBondContact O-CD2 3.46Å; A530-F532 PolarHBondContact O-N 2.76Å; F532-R589 HydrophobicContact CD1-CB 3.84Å; F532-R589 HydrophobicContact CD1-CG 3.82Å; F532-R589 HydrophobicContact CE1-CB 4.04Å; F532-R589 HydrophobicContact CE1-CG 3.62Å; F532-R589 HydrophobicContact CE2-CG 4.38Å; F532-R589 VanDerWaalsContact CE2-NE 3.31Å; F532-R589 HydrophobicContact CG-CB 4.42Å; F532-R589 HydrophobicContact CG-CG 4.29Å; F532-R589 HydrophobicContact CZ-CG 3.92Å; F532-R611 HydrophobicContact CD1-CG 4.23Å; F532-R611 VanDerWaalsContact O-CZ 3.25Å; F532-R611 PolarHBondContact O-NH1 2.82Å; F532-R611 VanDerWaalsContact O-NH1 3.1Å; F532-R611 PolarHBondContact O-NH2 3.31Å | ||
| 533 | F | 94.5 | Very high | 94.3 | Very high | 5 Ų | 5 | 10.6 Ų | 10.6 | 2% | 0.022 | 6% | 0.055 | C | C | . | . | trans | -53.3 | 140.8 | -176.2 | -62.3 | -72.4 | 0 | 0 | 0 | 113 | L251 L253 I273 L525 T526 F529 G531 L537 A538 R611 | L251-F533 HydrophobicContact CD1-CE2 4.3Å; L253-F533 HydrophobicContact CD1-CE2 4.08Å; L253-F533 HydrophobicContact CD1-CZ 4.18Å; I273-F533 HydrophobicContact CD1-CD2 3.98Å; I273-F533 HydrophobicContact CD1-CE1 4.22Å; I273-F533 HydrophobicContact CD1-CE2 3.54Å; I273-F533 HydrophobicContact CD1-CG 4.49Å; I273-F533 HydrophobicContact CD1-CZ 3.67Å; L525-F533 HydrophobicContact CB-CE1 4.39Å; T526-F533 HydrophobicContact CG2-CZ 4.23Å; T526-F533 WeakPolarHBondContact OG1-CZ 3.23Å; F529-F533 HydrophobicContact CD2-CD1 4.06Å; G531-F533 PolarHBondContact O-N 3.03Å; F533-L537 HydrophobicContact CB-CB 4.16Å; F533-A538 HydrophobicContact CB-CB 4.4Å; F533-R611 PolarHBondContact O-NH1 2.95Å | ||
| 534 | P | 93.5 | Very high | 94.5 | Very high | 2 Ų | 2 | 10.6 Ų | 10.6 | 1% | 0.013 | 6% | 0.055 | C | C | . | . | trans | -48.9 | 151.8 | 169.9 | -27 | 34.1 | 0 | 0 | 0 | 111.7 | F529 W536 L537 A538 L637 | F529-P534 HydrophobicContact CD2-CG 4.41Å; F529-P534 HydrophobicContact CE1-CG 4.06Å; F529-P534 VanDerWaalsContact CE2-CD 3.49Å; F529-P534 HydrophobicContact CE2-CG 3.9Å; F529-P534 HydrophobicContact CZ-CG 3.73Å; P534-W536 PolarHBondContact O-N 3.28Å; P534-W536 VanDerWaalsContact O-N 3.14Å; P534-L537 PolarHBondContact O-N 3.19Å; P534-A538 PolarHBondContact O-N 2.83Å; P534-L637 HydrophobicContact CB-CD2 4.24Å; P534-L637 HydrophobicContact CG-CD2 3.49Å; P534-L637 VanDerWaalsContact CG-CD2 3.49Å | ||
| 535 | T | 95.1 | Very high | 94.7 | Very high | 4 Ų | 4 | 10.5 Ų | 10.5 | 3% | 0.025 | 5% | 0.054 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -55.3 | -39.1 | -173.3 | -61 | 0 | 0 | 0 | 0 | 111.8 | L537 A538 Q541 P591 Y592 L628 E631 I632 | T535-L537 VanDerWaalsContact C-N 3.3Å; T535-L537 PolarHBondContact O-N 3.31Å; T535-A538 PolarHBondContact O-N 3.47Å; T535-Q541 HydrophobicContact CG2-CB 4.3Å; T535-Q541 HydrophobicContact CG2-CG 4.33Å; T535-Q541 VanDerWaalsContact O-CG 3.24Å; T535-Q541 WeakPolarHBondContact O-CG 3.49Å; T535-Q541 PolarHBondContact O-NE2 2.87Å; T535-P591 HydrophobicContact CG2-CB 4.49Å; T535-Y592 HydrophobicContact CG2-CE2 4.26Å; T535-L628 HydrophobicContact CG2-CD2 4.06Å; T535-E631 VanDerWaalsContact CB-OE1 3.27Å; T535-E631 WeakPolarHBondContact CB-OE1 2.95Å; T535-E631 PolarHBondContact OG1-OE1 3.03Å; T535-I632 HydrophobicContact CG2-CG1 4.09Å |
| 536 | W | 95.3 | Very high | 94.8 | Very high | 8 Ų | 8 | 10.6 Ų | 10.6 | 3% | 0.03 | 6% | 0.055 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -65 | -27.4 | 178.4 | 79.8 | -91.7 | 0 | 0 | 0 | 114.3 | L277 F280 T410 F411 P534 R568 I632 R635 | L277-W536 HydrophobicContact CD2-CH2 4.21Å; F280-W536 HydrophobicContact CB-CH2 3.97Å; F280-W536 HydrophobicContact CB-CZ3 3.95Å; F280-W536 HydrophobicContact CD1-CH2 4.28Å; F280-W536 HydrophobicContact CG-CH2 4.03Å; F280-W536 HydrophobicContact CG-CZ3 4.45Å; T410-W536 HydrophobicContact CG2-CZ2 4.44Å; F411-W536 HydrophobicContact CD1-CZ2 4.27Å; F411-W536 AromaticContact CE1-CH2 3.89Å; F411-W536 HydrophobicContact CE1-CH2 3.89Å; F411-W536 AromaticContact CE1-CZ2 3.59Å; F411-W536 HydrophobicContact CE1-CZ2 3.59Å; F411-W536 HydrophobicContact CZ-CH2 4.17Å; F411-W536 HydrophobicContact CZ-CZ2 4.19Å; P534-W536 PolarHBondContact O-N 3.28Å; P534-W536 VanDerWaalsContact O-N 3.14Å; W536-R568 PolarHBondContact O-NH2 2.87Å; W536-I632 HydrophobicContact CB-CB 4.4Å; W536-I632 HydrophobicContact CB-CG1 4.5Å; W536-I632 HydrophobicContact CB-CG2 4.14Å; W536-R635 HydrophobicContact CD2-CB 4.37Å; W536-R635 HydrophobicContact CD2-CG 4.09Å; W536-R635 HydrophobicContact CG-CB 4.18Å; W536-R635 HydrophobicContact CG-CG 4.14Å |
| 537 | L | 95.9 | Very high | 94.8 | Very high | 0 Ų | 0 | 14.6 Ų | 14.6 | 0% | 0 | 8% | 0.075 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -94.4 | -23.1 | 177.1 | -77.7 | 171 | 0 | 0 | 0 | 113.9 | I273 E276 L277 F411 L525 F533 P534 T535 | I273-L537 HydrophobicContact CG2-CD2 4.44Å; E276-L537 HydrophobicContact CB-CD2 4.18Å; L277-L537 HydrophobicContact CD2-CD2 3.75Å; L277-L537 HydrophobicContact CG-CD2 3.88Å; F411-L537 HydrophobicContact CD1-CD1 4.4Å; F411-L537 HydrophobicContact CE1-CD1 4.09Å; L525-L537 HydrophobicContact CD1-CD1 4.26Å; F533-L537 HydrophobicContact CB-CB 4.16Å; P534-L537 PolarHBondContact O-N 3.19Å; T535-L537 VanDerWaalsContact C-N 3.3Å; T535-L537 PolarHBondContact O-N 3.31Å |
| 538 | A | 96.7 | Very high | 94.8 | Very high | 4 Ų | 4 | 17.5 Ų | 17.5 | 3% | 0.033 | 9% | 0.093 | C | C | . | . | trans | -58.9 | 127.9 | -172.9 | 0 | 0 | 0 | 0 | 0 | 111.4 | F533 P534 T535 V540 Q541 R568 P591 | F533-A538 HydrophobicContact CB-CB 4.4Å; P534-A538 PolarHBondContact O-N 2.83Å; T535-A538 PolarHBondContact O-N 3.47Å; A538-V540 PolarHBondContact O-N 2.82Å; A538-Q541 HydrophobicContact CB-CG 4.45Å; A538-R568 PolarHBondContact O-NE 3.4Å; A538-R568 PolarHBondContact O-NH2 3.33Å; A538-P591 HydrophobicContact CB-CG 3.52Å | ||
| 539 | P | 96.8 | Very high | 94.9 | Very high | 24 Ų | 24 | 20.2 Ų | 20.2 | 16% | 0.156 | 11% | 0.109 | C | C | . | . | S | Bend | trans | -64.1 | -33.5 | -175.6 | 22.5 | -32.5 | 0 | 0 | 0 | 112.8 | L253 D269 T272 I273 | L253-P539 HydrophobicContact CD2-CG 4.49Å; D269-P539 HydrophobicContact CB-CB 3.66Å; D269-P539 HydrophobicContact CB-CG 3.88Å; D269-P539 VanDerWaalsContact O-CB 3.28Å; D269-P539 WeakPolarHBondContact O-CB 3.26Å; T272-P539 HydrophobicContact CG2-CB 4.3Å; I273-P539 HydrophobicContact CD1-CG 4.43Å; I273-P539 HydrophobicContact CG1-CG 4.46Å |
| 540 | V | 97.2 | Very high | 95.1 | Very high | 14 Ų | 14 | 22.6 Ų | 22.6 | 9% | 0.085 | 13% | 0.13 | C | C | . | . | S | Bend | trans | -119.5 | 114.1 | 166.3 | -175 | 0 | 0 | 0 | 0 | 106.3 | A538 V542 K570 V590 P591 | A538-V540 PolarHBondContact O-N 2.82Å; V540-V542 WeakPolarHBondContact CG1-O 3.34Å; V540-K570 HydrophobicContact CG1-CB 4.21Å; V540-K570 HydrophobicContact CG1-CD 4.26Å; V540-K570 HydrophobicContact CG1-CG 4.1Å; V540-K570 HydrophobicContact CG2-CD 3.61Å; V540-K570 VanDerWaalsContact CG2-CE 3.43Å; V540-K570 HydrophobicContact CG2-CG 4.19Å; V540-V590 HydrophobicContact CB-CG1 4.48Å; V540-V590 HydrophobicContact CB-CG2 4.33Å; V540-V590 HydrophobicContact CG1-CG1 4.01Å; V540-V590 HydrophobicContact CG1-CG2 4.31Å; V540-P591 WeakPolarHBondContact O-CD 3.25Å |
| 541 | Q | 97.3 | Very high | 95.3 | Very high | 0 Ų | 0 | 22.1 Ų | 22.1 | 0% | 0 | 13% | 0.126 | C | C | . | . | trans | -84.3 | -41.7 | -179.3 | -63.7 | 176.1 | -42.8 | 0 | 0 | 110.5 | T535 A538 I567 R568 P591 Y592 I632 | T535-Q541 HydrophobicContact CG2-CB 4.3Å; T535-Q541 HydrophobicContact CG2-CG 4.33Å; T535-Q541 VanDerWaalsContact O-CG 3.24Å; T535-Q541 WeakPolarHBondContact O-CG 3.49Å; T535-Q541 PolarHBondContact O-NE2 2.87Å; A538-Q541 HydrophobicContact CB-CG 4.45Å; Q541-I567 HydrophobicContact CB-CG2 4.23Å; Q541-R568 WeakPolarHBondContact CB-O 3.39Å; Q541-R568 HydrophobicContact CG-CB 4.09Å; Q541-R568 PolarHBondContact N-O 3.44Å; Q541-R568 VanDerWaalsContact NE2-NH2 3.16Å; Q541-P591 WeakPolarHBondContact O-CD 3.41Å; Q541-Y592 PolarHBondContact O-N 3.48Å; Q541-I632 VanDerWaalsContact NE2-CD1 3.27Å | ||
| 542 | V | 97.8 | Very high | 95.4 | Very high | 0 Ų | 0 | 23.3 Ų | 23.3 | 0% | 0 | 13% | 0.134 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.1 | 138.8 | -176.7 | -173.3 | 0 | 0 | 0 | 0 | 110.2 | V540 I544 L562 I567 R568 V569 K570 Y592 L594 L628 | V540-V542 WeakPolarHBondContact CG1-O 3.34Å; V542-I544 HydrophobicContact CG1-CG1 4.23Å; V542-L562 HydrophobicContact CB-CD2 4.03Å; V542-L562 HydrophobicContact CG1-CD2 3.78Å; V542-L562 HydrophobicContact CG2-CD2 3.97Å; V542-I567 HydrophobicContact CB-CG2 4.45Å; V542-I567 HydrophobicContact CG2-CG2 3.7Å; V542-R568 PolarHBondContact N-O 2.76Å; V542-V569 HydrophobicContact CB-CB 4.24Å; V542-V569 HydrophobicContact CB-CG2 4.01Å; V542-V569 HydrophobicContact CG1-CG2 4.14Å; V542-V569 CarbonylContact O-C 3.53Å; V542-V569 VanDerWaalsContact O-CA 3.25Å; V542-V569 WeakPolarHBondContact O-CA 3.16Å; V542-K570 PolarHBondContact O-N 3.35Å; V542-Y592 CarbonylContact C-O 3.56Å; V542-Y592 WeakPolarHBondContact CA-O 3.37Å; V542-L594 HydrophobicContact CG1-CD1 3.67Å; V542-L594 HydrophobicContact CG1-CD2 4.41Å; V542-L594 HydrophobicContact CG1-CG 3.59Å; V542-L628 HydrophobicContact CG2-CD1 3.43Å; V542-L628 VanDerWaalsContact CG2-CD1 3.43Å; V542-L628 HydrophobicContact CG2-CD2 4.47Å |
| 543 | V | 97.8 | Very high | 95.6 | Very high | 1 Ų | 1 | 28 Ų | 28 | 1% | 0.006 | 16% | 0.157 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.2 | 131.3 | 164.1 | 64.8 | 0 | 0 | 0 | 0 | 110.2 | M545 K570 D572 H585 V590 Y592 M593 L594 | V543-M545 HydrophobicContact CG1-CE 4.24Å; V543-M545 HydrophobicContact CG2-CG 4.43Å; V543-K570 CarbonylContact C-O 3.53Å; V543-K570 VanDerWaalsContact CA-O 3.26Å; V543-K570 WeakPolarHBondContact CA-O 3.39Å; V543-K570 WeakPolarHBondContact CG2-O 3.4Å; V543-D572 HydrophobicContact CG2-CB 4.11Å; V543-H585 HydrophobicContact CG1-CB 3.87Å; V543-V590 HydrophobicContact CB-CG1 4.24Å; V543-V590 HydrophobicContact CG1-CB 4.46Å; V543-V590 HydrophobicContact CG1-CG1 4.01Å; V543-Y592 PolarHBondContact N-O 3.39Å; V543-M593 HydrophobicContact CG1-CB 4.21Å; V543-M593 HydrophobicContact CG1-CG 3.59Å; V543-M593 CarbonylContact O-C 3.54Å; V543-M593 WeakPolarHBondContact O-CA 3.48Å; V543-L594 PolarHBondContact O-N 3.01Å |
| 544 | I | 97.8 | Very high | 95.6 | Very high | 0 Ų | 0 | 29.3 Ų | 29.3 | 0% | 0 | 16% | 0.162 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.9 | 127.9 | 178 | -45.3 | -172 | 0 | 0 | 0 | 108.9 | V542 V555 L558 L562 V569 K570 A571 D572 L594 | V542-I544 HydrophobicContact CG1-CG1 4.23Å; I544-V555 HydrophobicContact CB-CG1 3.98Å; I544-V555 HydrophobicContact CG2-CB 4.21Å; I544-V555 HydrophobicContact CG2-CG1 3.72Å; I544-V555 HydrophobicContact CG2-CG2 3.93Å; I544-L558 HydrophobicContact CD1-CB 3.81Å; I544-L562 HydrophobicContact CD1-CD1 4.3Å; I544-L562 HydrophobicContact CD1-CD2 4.45Å; I544-V569 HydrophobicContact CD1-CG2 3.91Å; I544-V569 HydrophobicContact CG1-CG2 3.73Å; I544-K570 PolarHBondContact N-O 2.89Å; I544-A571 WeakPolarHBondContact O-CA 3.47Å; I544-D572 PolarHBondContact O-N 3.03Å; I544-L594 WeakPolarHBondContact CA-O 3.34Å; I544-L594 HydrophobicContact CB-CB 4.44Å; I544-L594 HydrophobicContact CD1-CD1 4.18Å; I544-L594 HydrophobicContact CG1-CB 4.2Å; I544-L594 HydrophobicContact CG1-CD1 4.08Å; I544-L594 HydrophobicContact CG1-CG 4.39Å; I544-L594 HydrophobicContact CG2-CB 4.2Å |
| 545 | M | 97.1 | Very high | 95.8 | Very high | 0 Ų | 0 | 29.2 Ų | 29.2 | 0% | 0 | 16% | 0.161 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.1 | 135.1 | -175 | -67.9 | 169.9 | -76.1 | 0 | 0 | 111 | V543 D572 I578 K581 I582 M593 L594 V595 C596 | V543-M545 HydrophobicContact CG1-CE 4.24Å; V543-M545 HydrophobicContact CG2-CG 4.43Å; M545-D572 HydrophobicContact CG-CB 4Å; M545-I578 HydrophobicContact CB-CD1 3.67Å; M545-I578 HydrophobicContact CG-CD1 4.42Å; M545-I578 HydrophobicContact SD-CD1 4.09Å; M545-K581 HydrophobicContact CB-CD 4.34Å; M545-K581 HydrophobicContact CG-CB 4.21Å; M545-K581 HydrophobicContact CG-CD 4.19Å; M545-K581 HydrophobicContact SD-CB 3.46Å; M545-K581 WeakPolarHBondContact SD-CB 3.26Å; M545-K581 HydrophobicContact SD-CD 4.47Å; M545-I582 HydrophobicContact CE-CG1 3.94Å; M545-I582 HydrophobicContact SD-CG1 4.12Å; M545-M593 HydrophobicContact CE-CB 3.65Å; M545-M593 HydrophobicContact CE-CG 3.96Å; M545-M593 HydrophobicContact CE-SD 4.48Å; M545-L594 PolarHBondContact N-O 3.09Å; M545-V595 HydrophobicContact CE-CG2 4Å; M545-V595 WeakPolarHBondContact O-CA 3.47Å; M545-C596 PolarHBondContact O-N 3.1Å |
| 546 | N | 96.5 | Very high | 95.9 | Very high | 1 Ų | 1 | 32.9 Ų | 32.9 | 1% | 0.005 | 18% | 0.181 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.6 | 149.5 | 167.7 | 63.2 | -29.3 | 0 | 0 | 0 | 111.9 | T548 Q551 S552 V555 D572 L573 K581 | N546-T548 WeakPolarHBondContact CB-O 3.27Å; N546-T548 PolarHBondContact ND2-O 3.28Å; N546-Q551 HydrophobicContact CB-CB 4.08Å; N546-S552 PolarHBondContact ND2-OG 3Å; N546-V555 HydrophobicContact CB-CG2 4Å; N546-D572 PolarHBondContact OD1-O 3.45Å; N546-L573 HydrophobicContact CB-CD2 4.32Å; N546-K581 PolarHBondContact O-NZ 3Å; N546-K581 PolarHBondContact OD1-NZ 2.8Å |
| 547 | I | 94.6 | Very high | 96 | Very high | 85 Ų | 85 | 38.5 Ų | 38.5 | 44% | 0.436 | 21% | 0.207 | S | C | . | . | S | Bend | trans | -79.6 | -41.1 | 170.9 | -60.7 | -175.5 | 0 | 0 | 0 | 110.5 | I578 V595 C596 | I547-I578 HydrophobicContact CG1-CG1 4.5Å; I547-V595 HydrophobicContact CD1-CG1 4.19Å; I547-V595 HydrophobicContact CG1-CG1 3.91Å; I547-C596 PolarHBondContact N-O 3.35Å; I547-C596 VanDerWaalsContact N-O 3.13Å |
| 548 | T | 92.3 | Very high | 96 | Very high | 64 Ų | 64 | 38.8 Ų | 38.8 | 39% | 0.393 | 21% | 0.209 | S | C | . | . | S | Bend | trans | -135.2 | 163.7 | 177.9 | 53.3 | 0 | 0 | 0 | 0 | 110.8 | N546 S550 Q551 | N546-T548 WeakPolarHBondContact CB-O 3.27Å; N546-T548 PolarHBondContact ND2-O 3.28Å; T548-S550 PolarHBondContact O-N 3.22Å; T548-S550 VanDerWaalsContact O-N 3.1Å; T548-S550 PolarHBondContact OG1-OG 2.98Å; T548-Q551 PolarHBondContact O-N 3.33Å; T548-Q551 PolarHBondContact O-OE1 3.06Å; T548-Q551 VanDerWaalsContact OG1-CD 3.31Å; T548-Q551 PolarHBondContact OG1-NE2 3.24Å; T548-Q551 PolarHBondContact OG1-OE1 2.93Å; T548-Q551 VanDerWaalsContact OG1-OE1 3.1Å |
| 549 | D | 92.4 | Very high | 96 | Very high | 97 Ų | 97 | 39.7 Ų | 39.7 | 52% | 0.519 | 21% | 0.214 | S | C | . | . | G | 310 helix | trans | -63.5 | -20.1 | -176.6 | -64.5 | -19.4 | 0 | 0 | 0 | 113.3 | Q551 S552 | D549-Q551 VanDerWaalsContact C-N 3.27Å; D549-Q551 PolarHBondContact O-N 2.9Å; D549-S552 VanDerWaalsContact O-CB 3.31Å; D549-S552 WeakPolarHBondContact O-CB 3.44Å; D549-S552 PolarHBondContact O-N 3.36Å; D549-S552 VanDerWaalsContact O-N 3.16Å; D549-S552 PolarHBondContact O-OG 2.71Å |
| 550 | S | 92.9 | Very high | 96 | Very high | 87 Ų | 87 | 43.8 Ų | 43.8 | 61% | 0.608 | 23% | 0.231 | S | C | * | . | G | 310 helix | trans | -60.3 | -27.2 | 175.6 | 51.3 | 0 | 0 | 0 | 0 | 114.6 | T548 S552 | T548-S550 PolarHBondContact O-N 3.22Å; T548-S550 VanDerWaalsContact O-N 3.1Å; T548-S550 PolarHBondContact OG1-OG 2.98Å; S550-S552 VanDerWaalsContact C-N 3.35Å |
| 551 | Q | 94.5 | Very high | 96 | Very high | 2 Ų | 2 | 46.8 Ų | 46.8 | 1% | 0.009 | 24% | 0.243 | C | C | . | . | G | 310 helix | trans | -91.2 | 5.8 | 178.9 | -52.5 | 92.1 | 26.1 | 0 | 0 | 113.4 | N546 T548 D549 E553 Y554 V555 D598 V601 | N546-Q551 HydrophobicContact CB-CB 4.08Å; T548-Q551 PolarHBondContact O-N 3.33Å; T548-Q551 PolarHBondContact O-OE1 3.06Å; T548-Q551 VanDerWaalsContact OG1-CD 3.31Å; T548-Q551 PolarHBondContact OG1-NE2 3.24Å; T548-Q551 PolarHBondContact OG1-OE1 2.93Å; T548-Q551 VanDerWaalsContact OG1-OE1 3.1Å; D549-Q551 VanDerWaalsContact C-N 3.27Å; D549-Q551 PolarHBondContact O-N 2.9Å; Q551-E553 VanDerWaalsContact C-N 3.33Å; Q551-E553 PolarHBondContact O-N 3.5Å; Q551-Y554 PolarHBondContact O-N 2.87Å; Q551-V555 WeakPolarHBondContact O-CG2 3.22Å; Q551-V555 PolarHBondContact O-N 3.38Å; Q551-D598 PolarHBondContact NE2-OD1 3.06Å; Q551-V601 HydrophobicContact CB-CG2 3.88Å; Q551-V601 HydrophobicContact CG-CG2 3.5Å |
| 552 | S | 94.7 | Very high | 96 | Very high | 27 Ų | 27 | 46.8 Ų | 46.8 | 19% | 0.189 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -62.4 | -38.7 | -172 | -56.8 | 0 | 0 | 0 | 0 | 113.1 | N546 D549 S550 V555 N556 | N546-S552 PolarHBondContact ND2-OG 3Å; D549-S552 VanDerWaalsContact O-CB 3.31Å; D549-S552 WeakPolarHBondContact O-CB 3.44Å; D549-S552 PolarHBondContact O-N 3.36Å; D549-S552 VanDerWaalsContact O-N 3.16Å; D549-S552 PolarHBondContact O-OG 2.71Å; S550-S552 VanDerWaalsContact C-N 3.35Å; S552-V555 PolarHBondContact O-N 2.81Å; S552-N556 PolarHBondContact O-N 3.14Å; S552-N556 PolarHBondContact O-ND2 2.93Å |
| 553 | E | 96 | Very high | 96 | Very high | 164 Ų | 164 | 49.7 Ų | 49.7 | 77% | 0.766 | 26% | 0.263 | S | S | * | . | H | α-helix | trans | -63.6 | -49.2 | 177.9 | -173.7 | 169 | -161 | 0 | 0 | 111.1 | Q551 V555 N556 E557 | Q551-E553 VanDerWaalsContact C-N 3.33Å; Q551-E553 PolarHBondContact O-N 3.5Å; E553-V555 VanDerWaalsContact C-N 3.34Å; E553-V555 PolarHBondContact O-N 2.94Å; E553-N556 PolarHBondContact O-N 2.94Å; E553-N556 VanDerWaalsContact O-N 3.12Å; E553-E557 PolarHBondContact O-N 3.48Å |
| 554 | Y | 96.3 | Very high | 95.9 | Very high | 31 Ų | 31 | 55.4 Ų | 55.4 | 12% | 0.122 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -58.6 | -43.3 | 174.8 | -176.4 | -115.5 | 0 | 0 | 0 | 112.2 | Q551 N556 E557 L558 C596 V601 G604 K605 | Q551-Y554 PolarHBondContact O-N 2.87Å; Y554-N556 VanDerWaalsContact C-N 3.33Å; Y554-N556 PolarHBondContact O-N 3.37Å; Y554-E557 PolarHBondContact O-N 2.78Å; Y554-L558 HydrophobicContact CD1-CD1 4.01Å; Y554-L558 HydrophobicContact CD1-CG 4.43Å; Y554-L558 HydrophobicContact CD2-CG 4.4Å; Y554-L558 HydrophobicContact CE1-CD1 3.51Å; Y554-L558 HydrophobicContact CE1-CG 4.19Å; Y554-L558 HydrophobicContact CE2-CD1 4.25Å; Y554-L558 HydrophobicContact CE2-CD2 4.06Å; Y554-L558 HydrophobicContact CE2-CG 4.13Å; Y554-L558 VanDerWaalsContact O-CG 3.32Å; Y554-L558 WeakPolarHBondContact O-CG 3.39Å; Y554-L558 PolarHBondContact O-N 2.93Å; Y554-C596 HydrophobicContact CD1-CB 4.1Å; Y554-C596 HydrophobicContact CE1-CB 4.34Å; Y554-V601 HydrophobicContact CD1-CB 4.41Å; Y554-V601 HydrophobicContact CD1-CG2 3.59Å; Y554-V601 HydrophobicContact CE1-CG2 4.19Å; Y554-V601 HydrophobicContact CG-CG2 3.94Å; Y554-G604 WeakPolarHBondContact OH-CA 3.32Å; Y554-G604 PolarHBondContact OH-O 2.97Å; Y554-K605 PolarHBondContact OH-N 3.15Å; Y554-K605 PolarHBondContact OH-O 2.89Å |
| 555 | V | 97.1 | Very high | 95.8 | Very high | 0 Ų | 0 | 56.7 Ų | 56.7 | 0% | 0 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -61.3 | -40.4 | 176.1 | 167.1 | 0 | 0 | 0 | 0 | 111.9 | I544 N546 Q551 S552 E553 T559 A571 L573 C596 | I544-V555 HydrophobicContact CB-CG1 3.98Å; I544-V555 HydrophobicContact CG2-CB 4.21Å; I544-V555 HydrophobicContact CG2-CG1 3.72Å; I544-V555 HydrophobicContact CG2-CG2 3.93Å; N546-V555 HydrophobicContact CB-CG2 4Å; Q551-V555 WeakPolarHBondContact O-CG2 3.22Å; Q551-V555 PolarHBondContact O-N 3.38Å; S552-V555 PolarHBondContact O-N 2.81Å; E553-V555 VanDerWaalsContact C-N 3.34Å; E553-V555 PolarHBondContact O-N 2.94Å; V555-T559 VanDerWaalsContact O-CB 3.31Å; V555-T559 WeakPolarHBondContact O-CB 3.44Å; V555-T559 PolarHBondContact O-N 3.13Å; V555-T559 PolarHBondContact O-OG1 3.4Å; V555-A571 HydrophobicContact CG1-CB 3.96Å; V555-L573 HydrophobicContact CB-CD2 3.94Å; V555-L573 HydrophobicContact CG1-CD2 3.65Å; V555-L573 HydrophobicContact CG1-CG 4.47Å; V555-C596 HydrophobicContact CG2-CB 3.86Å |
| 556 | N | 97.1 | Very high | 95.7 | Very high | 82 Ų | 82 | 59.5 Ų | 59.5 | 44% | 0.439 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -67.5 | -42.8 | 177 | -75.4 | -32.6 | 0 | 0 | 0 | 112 | S552 E553 Y554 T559 Q560 L573 | S552-N556 PolarHBondContact O-N 3.14Å; S552-N556 PolarHBondContact O-ND2 2.93Å; E553-N556 PolarHBondContact O-N 2.94Å; E553-N556 VanDerWaalsContact O-N 3.12Å; Y554-N556 VanDerWaalsContact C-N 3.33Å; Y554-N556 PolarHBondContact O-N 3.37Å; N556-T559 WeakPolarHBondContact O-CB 3.14Å; N556-T559 PolarHBondContact O-N 2.9Å; N556-Q560 PolarHBondContact O-N 3.26Å; N556-L573 WeakPolarHBondContact OD1-CD1 3.31Å |
| 557 | E | 96.6 | Very high | 95.7 | Very high | 126 Ų | 126 | 59.6 Ų | 59.6 | 59% | 0.589 | 33% | 0.334 | S | S | * | . | H | α-helix | trans | -57.9 | -50.3 | 175.1 | -173.1 | -170 | 164.1 | 0 | 0 | 111.1 | E553 Y554 T559 Q560 K561 | E553-E557 PolarHBondContact O-N 3.48Å; Y554-E557 PolarHBondContact O-N 2.78Å; E557-T559 VanDerWaalsContact C-N 3.31Å; E557-T559 PolarHBondContact O-N 2.91Å; E557-Q560 PolarHBondContact O-N 3.18Å; E557-K561 WeakPolarHBondContact O-CB 3.39Å; E557-K561 PolarHBondContact O-N 3.42Å |
| 558 | L | 96.5 | Very high | 95.8 | Very high | 5 Ų | 5 | 57.9 Ų | 57.9 | 3% | 0.026 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -62.7 | -38.7 | 177 | -65.9 | -170.4 | 0 | 0 | 0 | 112.2 | I544 Y554 Q560 K561 L562 V606 V621 | I544-L558 HydrophobicContact CD1-CB 3.81Å; Y554-L558 HydrophobicContact CD1-CD1 4.01Å; Y554-L558 HydrophobicContact CD1-CG 4.43Å; Y554-L558 HydrophobicContact CD2-CG 4.4Å; Y554-L558 HydrophobicContact CE1-CD1 3.51Å; Y554-L558 HydrophobicContact CE1-CG 4.19Å; Y554-L558 HydrophobicContact CE2-CD1 4.25Å; Y554-L558 HydrophobicContact CE2-CD2 4.06Å; Y554-L558 HydrophobicContact CE2-CG 4.13Å; Y554-L558 VanDerWaalsContact O-CG 3.32Å; Y554-L558 WeakPolarHBondContact O-CG 3.39Å; Y554-L558 PolarHBondContact O-N 2.93Å; L558-Q560 VanDerWaalsContact C-N 3.34Å; L558-Q560 PolarHBondContact O-N 3.48Å; L558-K561 PolarHBondContact O-N 2.92Å; L558-L562 WeakPolarHBondContact O-CD1 3.4Å; L558-L562 PolarHBondContact O-N 3.44Å; L558-V606 HydrophobicContact CD1-CG1 3.32Å; L558-V621 HydrophobicContact CD2-CB 4.25Å; L558-V621 HydrophobicContact CD2-CG1 4.13Å; L558-V621 HydrophobicContact CD2-CG2 4.08Å |
| 559 | T | 97.2 | Very high | 96.1 | Very high | 23 Ų | 23 | 55.9 Ų | 55.9 | 14% | 0.141 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -61.6 | -44.4 | 176.6 | -61 | 0 | 0 | 0 | 0 | 110.6 | V555 N556 E557 L562 S563 V569 A571 | V555-T559 VanDerWaalsContact O-CB 3.31Å; V555-T559 WeakPolarHBondContact O-CB 3.44Å; V555-T559 PolarHBondContact O-N 3.13Å; V555-T559 PolarHBondContact O-OG1 3.4Å; N556-T559 WeakPolarHBondContact O-CB 3.14Å; N556-T559 PolarHBondContact O-N 2.9Å; E557-T559 VanDerWaalsContact C-N 3.31Å; E557-T559 PolarHBondContact O-N 2.91Å; T559-L562 PolarHBondContact O-N 3.38Å; T559-S563 VanDerWaalsContact O-CB 3.29Å; T559-S563 WeakPolarHBondContact O-CB 3.4Å; T559-S563 PolarHBondContact O-N 2.9Å; T559-V569 HydrophobicContact CG2-CG1 3.84Å; T559-V569 HydrophobicContact CG2-CG2 4.19Å; T559-V569 VanDerWaalsContact O-CG1 3.27Å; T559-V569 WeakPolarHBondContact O-CG1 3.36Å; T559-A571 HydrophobicContact CG2-CB 4.33Å |
| 560 | Q | 97.2 | Very high | 96.3 | Very high | 110 Ų | 110 | 55.6 Ų | 55.6 | 51% | 0.514 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -64.5 | -41.1 | 175.8 | -169.1 | 62 | 50.1 | 0 | 0 | 111.5 | N556 E557 L558 S563 N564 | N556-Q560 PolarHBondContact O-N 3.26Å; E557-Q560 PolarHBondContact O-N 3.18Å; L558-Q560 VanDerWaalsContact C-N 3.34Å; L558-Q560 PolarHBondContact O-N 3.48Å; Q560-S563 PolarHBondContact O-N 3.24Å; Q560-N564 PolarHBondContact NE2-OD1 3.13Å; Q560-N564 WeakPolarHBondContact O-CB 3.34Å; Q560-N564 PolarHBondContact O-N 3.49Å; Q560-N564 PolarHBondContact O-OD1 3.2Å |
| 561 | K | 96.8 | Very high | 96.5 | Very high | 78 Ų | 78 | 53.4 Ų | 53.4 | 34% | 0.339 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -60.1 | -47.2 | 177.4 | -168.6 | 177 | 178.9 | 176.7 | 0 | 112.2 | E557 L558 A565 V621 N622 I625 | E557-K561 WeakPolarHBondContact O-CB 3.39Å; E557-K561 PolarHBondContact O-N 3.42Å; L558-K561 PolarHBondContact O-N 2.92Å; K561-A565 PolarHBondContact O-N 3.43Å; K561-V621 HydrophobicContact CD-CG1 4.1Å; K561-N622 WeakPolarHBondContact CE-OD1 3.39Å; K561-N622 PolarHBondContact NZ-OD1 2.84Å; K561-I625 HydrophobicContact CD-CD1 4.35Å; K561-I625 HydrophobicContact CG-CD1 4.03Å |
| 562 | L | 97 | Very high | 96.6 | Very high | 0 Ų | 0 | 53.6 Ų | 53.6 | 0% | 0 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -65.8 | -41.6 | 175.9 | -88.6 | 79.6 | 0 | 0 | 0 | 111.8 | V542 I544 L558 T559 A565 I567 V569 L594 V621 I625 | V542-L562 HydrophobicContact CB-CD2 4.03Å; V542-L562 HydrophobicContact CG1-CD2 3.78Å; V542-L562 HydrophobicContact CG2-CD2 3.97Å; I544-L562 HydrophobicContact CD1-CD1 4.3Å; I544-L562 HydrophobicContact CD1-CD2 4.45Å; L558-L562 WeakPolarHBondContact O-CD1 3.4Å; L558-L562 PolarHBondContact O-N 3.44Å; T559-L562 PolarHBondContact O-N 3.38Å; L562-A565 WeakPolarHBondContact O-CB 3.46Å; L562-A565 PolarHBondContact O-N 2.97Å; L562-A565 VanDerWaalsContact O-N 3.12Å; L562-I567 HydrophobicContact CB-CB 4.37Å; L562-I567 HydrophobicContact CD2-CG2 4.33Å; L562-I567 HydrophobicContact CG-CD1 4.34Å; L562-I567 WeakPolarHBondContact O-CB 3.47Å; L562-I567 PolarHBondContact O-N 2.74Å; L562-I567 VanDerWaalsContact O-N 3.11Å; L562-V569 HydrophobicContact CB-CB 4.15Å; L562-V569 HydrophobicContact CB-CG1 3.82Å; L562-V569 HydrophobicContact CB-CG2 4.39Å; L562-V569 HydrophobicContact CD2-CB 4.46Å; L562-V569 HydrophobicContact CD2-CG2 4.23Å; L562-L594 HydrophobicContact CD2-CD1 4.2Å; L562-V621 HydrophobicContact CD1-CG2 3.64Å; L562-I625 HydrophobicContact CD1-CD1 4.29Å; L562-I625 HydrophobicContact CD1-CG1 4.23Å; L562-I625 HydrophobicContact CG-CG1 4.1Å |
| 563 | S | 96.8 | Very high | 96.7 | Very high | 61 Ų | 61 | 55 Ų | 55 | 43% | 0.427 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -60.4 | -45.9 | 177.4 | -172.7 | 0 | 0 | 0 | 0 | 111.9 | T559 Q560 A565 G566 | T559-S563 VanDerWaalsContact O-CB 3.29Å; T559-S563 WeakPolarHBondContact O-CB 3.4Å; T559-S563 PolarHBondContact O-N 2.9Å; Q560-S563 PolarHBondContact O-N 3.24Å; S563-A565 PolarHBondContact O-N 3.33Å; S563-G566 PolarHBondContact O-N 3.34Å |
| 564 | N | 96.7 | Very high | 96.6 | Very high | 121 Ų | 121 | 52 Ų | 52 | 65% | 0.647 | 28% | 0.278 | S | S | * | . | H | α-helix | trans | -61.6 | -26.2 | 175.9 | -70.5 | -7.3 | 0 | 0 | 0 | 112.7 | Q560 G566 | Q560-N564 PolarHBondContact NE2-OD1 3.13Å; Q560-N564 WeakPolarHBondContact O-CB 3.34Å; Q560-N564 PolarHBondContact O-N 3.49Å; Q560-N564 PolarHBondContact O-OD1 3.2Å; N564-G566 PolarHBondContact O-N 2.9Å |
| 565 | A | 95.7 | Very high | 96.4 | Very high | 26 Ų | 26 | 57.3 Ų | 57.3 | 22% | 0.215 | 31% | 0.309 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -81.4 | 4.3 | 174.8 | 0 | 0 | 0 | 0 | 0 | 113.8 | K561 L562 S563 I567 I625 Q629 | K561-A565 PolarHBondContact O-N 3.43Å; L562-A565 WeakPolarHBondContact O-CB 3.46Å; L562-A565 PolarHBondContact O-N 2.97Å; L562-A565 VanDerWaalsContact O-N 3.12Å; S563-A565 PolarHBondContact O-N 3.33Å; A565-I567 HydrophobicContact CB-CD1 4.33Å; A565-I625 HydrophobicContact CB-CG2 3.71Å; A565-Q629 PolarHBondContact O-NE2 2.93Å |
| 566 | G | 94.3 | Very high | 96.3 | Very high | 60 Ų | 60 | 61.9 Ų | 61.9 | 62% | 0.619 | 33% | 0.33 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 82 | 14.6 | -179.4 | 0 | 0 | 0 | 0 | 0 | 114.4 | S563 N564 | S563-G566 PolarHBondContact O-N 3.34Å; N564-G566 PolarHBondContact O-N 2.9Å |
| 567 | I | 97.1 | Very high | 96.1 | Very high | 3 Ų | 3 | 66.3 Ų | 66.3 | 2% | 0.015 | 35% | 0.346 | C | S | . | . | trans | -94.7 | 128.9 | -178.4 | -59.7 | 166.9 | 0 | 0 | 0 | 109.5 | Q541 V542 L562 A565 V569 I625 L628 I632 | Q541-I567 HydrophobicContact CB-CG2 4.23Å; V542-I567 HydrophobicContact CB-CG2 4.45Å; V542-I567 HydrophobicContact CG2-CG2 3.7Å; L562-I567 HydrophobicContact CB-CB 4.37Å; L562-I567 HydrophobicContact CD2-CG2 4.33Å; L562-I567 HydrophobicContact CG-CD1 4.34Å; L562-I567 WeakPolarHBondContact O-CB 3.47Å; L562-I567 PolarHBondContact O-N 2.74Å; L562-I567 VanDerWaalsContact O-N 3.11Å; A565-I567 HydrophobicContact CB-CD1 4.33Å; I567-V569 PolarHBondContact O-N 2.94Å; I567-I625 HydrophobicContact CD1-CB 4.39Å; I567-I625 HydrophobicContact CD1-CG1 4.18Å; I567-I625 HydrophobicContact CD1-CG2 4.23Å; I567-L628 HydrophobicContact CD1-CB 3.88Å; I567-L628 HydrophobicContact CD1-CD1 3.95Å; I567-L628 HydrophobicContact CG1-CB 4.49Å; I567-L628 HydrophobicContact CG2-CD1 4.26Å; I567-I632 HydrophobicContact CG1-CD1 4.37Å | ||
| 568 | R | 97.2 | Very high | 95.9 | Very high | 48 Ų | 48 | 62.3 Ų | 62.3 | 18% | 0.181 | 33% | 0.328 | C | S | . | . | trans | -74.7 | 94.4 | 177.1 | -63.4 | -174.9 | -65.2 | -84.3 | -1.1 | 110.7 | T272 E276 W536 A538 Q541 V542 | T272-R568 VanDerWaalsContact CG2-CD 3.49Å; E276-R568 IonicContact OE1-CZ 2.76Å; E276-R568 IonicContact OE1-NH1 3.53Å; E276-R568 PolarHBondContact OE1-NH1 3.07Å; E276-R568 IonicContact OE2-NH1 2.66Å; E276-R568 PolarHBondContact OE2-NH1 3.1Å; E276-R568 VanDerWaalsContact OE2-NH1 3.1Å; W536-R568 PolarHBondContact O-NH2 2.87Å; A538-R568 PolarHBondContact O-NE 3.4Å; A538-R568 PolarHBondContact O-NH2 3.33Å; Q541-R568 WeakPolarHBondContact CB-O 3.39Å; Q541-R568 HydrophobicContact CG-CB 4.09Å; Q541-R568 PolarHBondContact N-O 3.44Å; Q541-R568 VanDerWaalsContact NE2-NH2 3.16Å; V542-R568 PolarHBondContact N-O 2.76Å | ||
| 569 | V | 97.9 | Very high | 95.8 | Very high | 22 Ų | 22 | 64.5 Ų | 64.5 | 13% | 0.133 | 35% | 0.351 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.7 | 144.4 | -174.9 | 60.6 | 0 | 0 | 0 | 0 | 112.2 | V542 I544 T559 L562 I567 | V542-V569 HydrophobicContact CB-CB 4.24Å; V542-V569 HydrophobicContact CB-CG2 4.01Å; V542-V569 HydrophobicContact CG1-CG2 4.14Å; V542-V569 CarbonylContact O-C 3.53Å; V542-V569 VanDerWaalsContact O-CA 3.25Å; V542-V569 WeakPolarHBondContact O-CA 3.16Å; I544-V569 HydrophobicContact CD1-CG2 3.91Å; I544-V569 HydrophobicContact CG1-CG2 3.73Å; T559-V569 HydrophobicContact CG2-CG1 3.84Å; T559-V569 HydrophobicContact CG2-CG2 4.19Å; T559-V569 VanDerWaalsContact O-CG1 3.27Å; T559-V569 WeakPolarHBondContact O-CG1 3.36Å; L562-V569 HydrophobicContact CB-CB 4.15Å; L562-V569 HydrophobicContact CB-CG1 3.82Å; L562-V569 HydrophobicContact CB-CG2 4.39Å; L562-V569 HydrophobicContact CD2-CB 4.46Å; L562-V569 HydrophobicContact CD2-CG2 4.23Å; I567-V569 PolarHBondContact O-N 2.94Å |
| 570 | K | 96.7 | Very high | 95.7 | Very high | 92 Ų | 92 | 68 Ų | 68 | 40% | 0.4 | 37% | 0.365 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.7 | 141.9 | 169.6 | -69.6 | -175.6 | -177.5 | 164.6 | 0 | 110.4 | D269 V540 V542 V543 I544 | D269-K570 IonicContact OD1-NZ 2.8Å; D269-K570 PolarHBondContact OD1-NZ 3.1Å; D269-K570 IonicContact OD2-NZ 3.2Å; V540-K570 HydrophobicContact CG1-CB 4.21Å; V540-K570 HydrophobicContact CG1-CD 4.26Å; V540-K570 HydrophobicContact CG1-CG 4.1Å; V540-K570 HydrophobicContact CG2-CD 3.61Å; V540-K570 VanDerWaalsContact CG2-CE 3.43Å; V540-K570 HydrophobicContact CG2-CG 4.19Å; V542-K570 PolarHBondContact O-N 3.35Å; V543-K570 CarbonylContact C-O 3.53Å; V543-K570 VanDerWaalsContact CA-O 3.26Å; V543-K570 WeakPolarHBondContact CA-O 3.39Å; V543-K570 WeakPolarHBondContact CG2-O 3.4Å; I544-K570 PolarHBondContact N-O 2.89Å |
| 571 | A | 97.6 | Very high | 95.6 | Very high | 40 Ų | 40 | 62.9 Ų | 62.9 | 33% | 0.331 | 34% | 0.341 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.2 | 133 | 169.3 | 0 | 0 | 0 | 0 | 0 | 110.4 | I544 V555 T559 L573 | I544-A571 WeakPolarHBondContact O-CA 3.47Å; V555-A571 HydrophobicContact CG1-CB 3.96Å; T559-A571 HydrophobicContact CG2-CB 4.33Å; A571-L573 HydrophobicContact CB-CG 4.31Å |
| 572 | D | 97.2 | Very high | 95.5 | Very high | 7 Ų | 7 | 60.6 Ų | 60.6 | 4% | 0.037 | 33% | 0.332 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.8 | 84.7 | 171.7 | -176.5 | 2.9 | 0 | 0 | 0 | 110.9 | V543 I544 M545 N546 R574 K581 H585 | V543-D572 HydrophobicContact CG2-CB 4.11Å; I544-D572 PolarHBondContact O-N 3.03Å; M545-D572 HydrophobicContact CG-CB 4Å; N546-D572 PolarHBondContact OD1-O 3.45Å; D572-R574 VanDerWaalsContact C-N 3.34Å; D572-R574 WeakPolarHBondContact OD1-CB 3.47Å; D572-R574 WeakPolarHBondContact OD1-CG 3.38Å; D572-R574 IonicContact OD1-CZ 3.62Å; D572-R574 PolarHBondContact OD1-N 3.45Å; D572-R574 IonicContact OD1-NE 3.21Å; D572-R574 PolarHBondContact OD1-NE 3.34Å; D572-R574 IonicContact OD1-NH2 3.34Å; D572-R574 PolarHBondContact OD1-NH2 3.06Å; D572-R574 IonicContact OD2-CZ 3.99Å; D572-R574 IonicContact OD2-NE 2.69Å; D572-R574 IonicContact OD2-NH2 3.73Å; D572-R574 PolarHBondContact OD2-NH2 3.36Å; D572-K581 PolarHBondContact O-NZ 3.47Å; D572-H585 IonicContact OD2-CD2 2.93Å; D572-H585 IonicContact OD2-CE1 3.98Å; D572-H585 IonicContact OD2-NE2 3.57Å; D572-H585 PolarHBondContact OD2-NE2 3.18Å |
| 573 | L | 96.2 | Very high | 95.4 | Very high | 55 Ų | 55 | 68.8 Ų | 68.8 | 29% | 0.288 | 36% | 0.363 | S | S | . | . | trans | -92.1 | 12.8 | 178.8 | -59.8 | -179.8 | 0 | 0 | 0 | 113.2 | N546 V555 N556 A571 | N546-L573 HydrophobicContact CB-CD2 4.32Å; V555-L573 HydrophobicContact CB-CD2 3.94Å; V555-L573 HydrophobicContact CG1-CD2 3.65Å; V555-L573 HydrophobicContact CG1-CG 4.47Å; N556-L573 WeakPolarHBondContact OD1-CD1 3.31Å; A571-L573 HydrophobicContact CB-CG 4.31Å | ||
| 574 | R | 94.3 | Very high | 95.3 | Very high | 102 Ų | 102 | 68.4 Ų | 68.4 | 39% | 0.385 | 36% | 0.355 | S | S | . | . | trans | -63 | 145.7 | 179.9 | -64.6 | 174.9 | -65.1 | 166.7 | 7.4 | 110.3 | D572 E576 K581 E584 | D572-R574 VanDerWaalsContact C-N 3.34Å; D572-R574 WeakPolarHBondContact OD1-CB 3.47Å; D572-R574 WeakPolarHBondContact OD1-CG 3.38Å; D572-R574 IonicContact OD1-CZ 3.62Å; D572-R574 PolarHBondContact OD1-N 3.45Å; D572-R574 IonicContact OD1-NE 3.21Å; D572-R574 PolarHBondContact OD1-NE 3.34Å; D572-R574 IonicContact OD1-NH2 3.34Å; D572-R574 PolarHBondContact OD1-NH2 3.06Å; D572-R574 IonicContact OD2-CZ 3.99Å; D572-R574 IonicContact OD2-NE 2.69Å; D572-R574 IonicContact OD2-NH2 3.73Å; D572-R574 PolarHBondContact OD2-NH2 3.36Å; R574-E576 HydrophobicContact CB-CG 4.44Å; R574-E576 PolarHBondContact O-N 2.89Å; R574-K581 WeakPolarHBondContact O-CE 3.46Å; R574-K581 PolarHBondContact O-NZ 3.32Å; R574-E584 IonicContact CZ-OE1 2.77Å; R574-E584 IonicContact CZ-OE2 3.82Å; R574-E584 VanDerWaalsContact CZ-OE2 3.29Å; R574-E584 IonicContact NH1-OE1 2.78Å; R574-E584 PolarHBondContact NH1-OE1 2.97Å; R574-E584 VanDerWaalsContact NH1-OE1 3.13Å; R574-E584 IonicContact NH1-OE2 2.72Å; R574-E584 PolarHBondContact NH1-OE2 3.24Å; R574-E584 IonicContact NH2-OE1 3.7Å; R574-E584 IonicContact NH2-OE2 3.78Å; R574-E584 PolarHBondContact NH2-OE2 3.01Å | ||
| 575 | N | 92.2 | Very high | 95.2 | Very high | 143 Ų | 143 | 63.9 Ų | 63.9 | 77% | 0.765 | 33% | 0.329 | S | S | * | . | S | Bend | trans | -75.7 | 67.8 | 174.5 | -171.6 | -1.4 | 0 | 0 | 0 | 111.2 | ||
| 576 | E | 93.5 | Very high | 95.1 | Very high | 95 Ų | 95 | 65 Ų | 65 | 44% | 0.444 | 33% | 0.334 | S | S | . | . | S | Bend | trans | -129.5 | 154.6 | 179.6 | -76.6 | -68.6 | 177.1 | 0 | 0 | 109.9 | R574 I578 F580 K581 | R574-E576 HydrophobicContact CB-CG 4.44Å; R574-E576 PolarHBondContact O-N 2.89Å; E576-I578 PolarHBondContact O-N 3.17Å; E576-F580 HydrophobicContact CB-CD1 3.93Å; E576-F580 HydrophobicContact CG-CD1 4.01Å; E576-F580 HydrophobicContact CG-CE1 4.2Å; E576-K581 HydrophobicContact CB-CG 4.23Å; E576-K581 WeakPolarHBondContact O-CE 3.37Å |
| 577 | K | 93.2 | Very high | 95 | Very high | 175 Ų | 175 | 66.7 Ų | 66.7 | 76% | 0.761 | 33% | 0.328 | S | S | * | . | trans | -62.5 | 138.1 | 178.6 | -65 | -174.6 | 178 | -172.2 | 0 | 110.5 | G579 F580 K581 | K577-G579 PolarHBondContact O-N 3.18Å; K577-G579 VanDerWaalsContact O-N 3.08Å; K577-F580 WeakPolarHBondContact O-CA 3.25Å; K577-F580 VanDerWaalsContact O-CB 3.28Å; K577-F580 WeakPolarHBondContact O-CB 3.35Å; K577-F580 PolarHBondContact O-N 3.14Å; K577-K581 PolarHBondContact O-N 3.27Å; K577-K581 VanDerWaalsContact O-N 3.1Å | ||
| 578 | I | 93.2 | Very high | 94.9 | Very high | 43 Ų | 43 | 71 Ų | 71 | 22% | 0.221 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -52.5 | -37.9 | 178.7 | -170.4 | 59.6 | 0 | 0 | 0 | 113.4 | M545 I547 E576 F580 K581 I582 V595 | M545-I578 HydrophobicContact CB-CD1 3.67Å; M545-I578 HydrophobicContact CG-CD1 4.42Å; M545-I578 HydrophobicContact SD-CD1 4.09Å; I547-I578 HydrophobicContact CG1-CG1 4.5Å; E576-I578 PolarHBondContact O-N 3.17Å; I578-F580 VanDerWaalsContact C-N 3.29Å; I578-F580 PolarHBondContact O-N 3.42Å; I578-K581 HydrophobicContact CD1-CD 4.41Å; I578-K581 PolarHBondContact O-N 3.44Å; I578-I582 HydrophobicContact CD1-CD1 4.46Å; I578-I582 HydrophobicContact CD1-CG1 4.41Å; I578-I582 HydrophobicContact CG1-CD1 3.95Å; I578-I582 HydrophobicContact CG1-CG1 4.36Å; I578-I582 VanDerWaalsContact O-CG1 3.32Å; I578-I582 WeakPolarHBondContact O-CG1 3.46Å; I578-I582 PolarHBondContact O-N 2.94Å; I578-V595 HydrophobicContact CD1-CG1 3.99Å; I578-V595 HydrophobicContact CD1-CG2 4.29Å; I578-V595 HydrophobicContact CG1-CG1 4.12Å |
| 579 | G | 93.6 | Very high | 94.7 | Very high | 50 Ų | 50 | 70.3 Ų | 70.3 | 52% | 0.515 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -66.7 | -26.8 | 175.8 | 0 | 0 | 0 | 0 | 0 | 114.4 | K577 R583 | K577-G579 PolarHBondContact O-N 3.18Å; K577-G579 VanDerWaalsContact O-N 3.08Å; G579-R583 WeakPolarHBondContact O-CB 3.5Å; G579-R583 PolarHBondContact O-N 3.49Å |
| 580 | F | 95.1 | Very high | 94.7 | Very high | 96 Ų | 96 | 69.6 Ų | 69.6 | 42% | 0.421 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -73.1 | -49 | 170.6 | 177.1 | -91.9 | 0 | 0 | 0 | 110.3 | E576 K577 I578 I582 R583 E584 | E576-F580 HydrophobicContact CB-CD1 3.93Å; E576-F580 HydrophobicContact CG-CD1 4.01Å; E576-F580 HydrophobicContact CG-CE1 4.2Å; K577-F580 WeakPolarHBondContact O-CA 3.25Å; K577-F580 VanDerWaalsContact O-CB 3.28Å; K577-F580 WeakPolarHBondContact O-CB 3.35Å; K577-F580 PolarHBondContact O-N 3.14Å; I578-F580 VanDerWaalsContact C-N 3.29Å; I578-F580 PolarHBondContact O-N 3.42Å; F580-I582 PolarHBondContact O-N 3.49Å; F580-R583 WeakPolarHBondContact O-CB 3.39Å; F580-R583 PolarHBondContact O-N 2.79Å; F580-R583 VanDerWaalsContact O-N 3.11Å; F580-E584 WeakPolarHBondContact CE1-OE2 3.37Å; F580-E584 PolarHBondContact O-N 3.46Å |
| 581 | K | 95.9 | Very high | 94.6 | Very high | 3 Ų | 3 | 65.4 Ų | 65.4 | 1% | 0.013 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -54.6 | -51.6 | 176.6 | -58.8 | -176 | 178.3 | -176.6 | 0 | 111.9 | M545 N546 D572 R574 E576 K577 I578 R583 E584 H585 | M545-K581 HydrophobicContact CB-CD 4.34Å; M545-K581 HydrophobicContact CG-CB 4.21Å; M545-K581 HydrophobicContact CG-CD 4.19Å; M545-K581 HydrophobicContact SD-CB 3.46Å; M545-K581 WeakPolarHBondContact SD-CB 3.26Å; M545-K581 HydrophobicContact SD-CD 4.47Å; N546-K581 PolarHBondContact O-NZ 3Å; N546-K581 PolarHBondContact OD1-NZ 2.8Å; D572-K581 PolarHBondContact O-NZ 3.47Å; R574-K581 WeakPolarHBondContact O-CE 3.46Å; R574-K581 PolarHBondContact O-NZ 3.32Å; E576-K581 HydrophobicContact CB-CG 4.23Å; E576-K581 WeakPolarHBondContact O-CE 3.37Å; K577-K581 PolarHBondContact O-N 3.27Å; K577-K581 VanDerWaalsContact O-N 3.1Å; I578-K581 HydrophobicContact CD1-CD 4.41Å; I578-K581 PolarHBondContact O-N 3.44Å; K581-R583 VanDerWaalsContact C-N 3.29Å; K581-R583 PolarHBondContact O-N 2.84Å; K581-E584 PolarHBondContact O-N 2.82Å; K581-H585 PolarHBondContact O-CD2 3.46Å; K581-H585 PolarHBondContact O-N 3.09Å |
| 582 | I | 94.3 | Very high | 94.5 | Very high | 30 Ų | 30 | 64.4 Ų | 64.4 | 15% | 0.154 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -56.3 | -44.4 | 176.9 | -69.4 | 168.7 | 0 | 0 | 0 | 110.9 | M545 I578 F580 T586 M593 V595 | M545-I582 HydrophobicContact CE-CG1 3.94Å; M545-I582 HydrophobicContact SD-CG1 4.12Å; I578-I582 HydrophobicContact CD1-CD1 4.46Å; I578-I582 HydrophobicContact CD1-CG1 4.41Å; I578-I582 HydrophobicContact CG1-CD1 3.95Å; I578-I582 HydrophobicContact CG1-CG1 4.36Å; I578-I582 VanDerWaalsContact O-CG1 3.32Å; I578-I582 WeakPolarHBondContact O-CG1 3.46Å; I578-I582 PolarHBondContact O-N 2.94Å; F580-I582 PolarHBondContact O-N 3.49Å; I582-T586 VanDerWaalsContact O-CB 3.28Å; I582-T586 WeakPolarHBondContact O-CB 3.45Å; I582-T586 PolarHBondContact O-N 2.75Å; I582-T586 PolarHBondContact O-OG1 2.76Å; I582-M593 HydrophobicContact CG2-SD 4.18Å; I582-V595 HydrophobicContact CD1-CG2 4.32Å |
| 583 | R | 94 | Very high | 94.5 | Very high | 173 Ų | 173 | 64.1 Ų | 64.1 | 65% | 0.653 | 31% | 0.305 | S | S | * | . | H | α-helix | trans | -65.2 | -42.3 | -179.2 | -179.6 | -179.3 | 174.4 | -166.3 | -4.1 | 111.8 | G579 F580 K581 T586 L587 | G579-R583 WeakPolarHBondContact O-CB 3.5Å; G579-R583 PolarHBondContact O-N 3.49Å; F580-R583 WeakPolarHBondContact O-CB 3.39Å; F580-R583 PolarHBondContact O-N 2.79Å; F580-R583 VanDerWaalsContact O-N 3.11Å; K581-R583 VanDerWaalsContact C-N 3.29Å; K581-R583 PolarHBondContact O-N 2.84Å; R583-T586 PolarHBondContact O-N 3.06Å; R583-L587 HydrophobicContact CG-CD1 4.33Å; R583-L587 WeakPolarHBondContact O-CG 3.5Å; R583-L587 PolarHBondContact O-N 2.89Å |
| 584 | E | 95 | Very high | 94.6 | Very high | 53 Ų | 53 | 61.5 Ų | 61.5 | 25% | 0.248 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -62.9 | -49.3 | 178.2 | -172.2 | 177.5 | 176.4 | 0 | 0 | 111 | R574 F580 K581 T586 L587 R588 | R574-E584 IonicContact CZ-OE1 2.77Å; R574-E584 IonicContact CZ-OE2 3.82Å; R574-E584 VanDerWaalsContact CZ-OE2 3.29Å; R574-E584 IonicContact NH1-OE1 2.78Å; R574-E584 PolarHBondContact NH1-OE1 2.97Å; R574-E584 VanDerWaalsContact NH1-OE1 3.13Å; R574-E584 IonicContact NH1-OE2 2.72Å; R574-E584 PolarHBondContact NH1-OE2 3.24Å; R574-E584 IonicContact NH2-OE1 3.7Å; R574-E584 IonicContact NH2-OE2 3.78Å; R574-E584 PolarHBondContact NH2-OE2 3.01Å; F580-E584 WeakPolarHBondContact CE1-OE2 3.37Å; F580-E584 PolarHBondContact O-N 3.46Å; K581-E584 PolarHBondContact O-N 2.82Å; E584-T586 VanDerWaalsContact C-N 3.32Å; E584-T586 PolarHBondContact O-N 3.12Å; E584-L587 CarbonylContact O-C 3.53Å; E584-L587 WeakPolarHBondContact O-CA 3.38Å; E584-L587 WeakPolarHBondContact O-CB 3.32Å; E584-L587 PolarHBondContact O-N 3.38Å; E584-R588 WeakPolarHBondContact O-CG 3.41Å; E584-R588 PolarHBondContact O-N 2.92Å |
| 585 | H | 95.8 | Very high | 94.6 | Very high | 26 Ų | 26 | 57.7 Ų | 57.7 | 12% | 0.12 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -68.5 | -29.4 | 178.8 | -66.1 | -53.6 | 0 | 0 | 0 | 113.4 | V543 D572 K581 R588 R589 V590 M593 | V543-H585 HydrophobicContact CG1-CB 3.87Å; D572-H585 IonicContact OD2-CD2 2.93Å; D572-H585 IonicContact OD2-CE1 3.98Å; D572-H585 IonicContact OD2-NE2 3.57Å; D572-H585 PolarHBondContact OD2-NE2 3.18Å; K581-H585 PolarHBondContact O-CD2 3.46Å; K581-H585 PolarHBondContact O-N 3.09Å; H585-R588 CarbonylContact O-C 3.6Å; H585-R588 PolarHBondContact O-N 2.82Å; H585-R589 PolarHBondContact O-N 3.3Å; H585-V590 HydrophobicContact CB-CG2 4.26Å; H585-V590 PolarHBondContact O-N 3.45Å; H585-M593 HydrophobicContact CB-CG 4.12Å; H585-M593 HydrophobicContact CB-SD 3.91Å |
| 586 | T | 93.4 | Very high | 94.8 | Very high | 49 Ų | 49 | 50.9 Ų | 50.9 | 30% | 0.301 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -64.2 | -41.4 | 168.4 | -57.2 | 0 | 0 | 0 | 0 | 111.2 | I582 R583 E584 R588 R589 | I582-T586 VanDerWaalsContact O-CB 3.28Å; I582-T586 WeakPolarHBondContact O-CB 3.45Å; I582-T586 PolarHBondContact O-N 2.75Å; I582-T586 PolarHBondContact O-OG1 2.76Å; R583-T586 PolarHBondContact O-N 3.06Å; E584-T586 VanDerWaalsContact C-N 3.32Å; E584-T586 PolarHBondContact O-N 3.12Å; T586-R588 VanDerWaalsContact C-N 3.31Å; T586-R589 PolarHBondContact O-N 3.38Å; T586-R589 VanDerWaalsContact O-N 3.1Å |
| 587 | L | 92.6 | Very high | 94.9 | Very high | 95 Ų | 95 | 46.4 Ų | 46.4 | 50% | 0.497 | 22% | 0.223 | S | C | . | . | H | α-helix | trans | -70.3 | -27.5 | 176.2 | -72.1 | 171.6 | 0 | 0 | 0 | 112.9 | Q250 R583 E584 R589 | Q250-L587 PolarHBondContact NE2-O 3.36Å; Q250-L587 VanDerWaalsContact NE2-O 3.11Å; R583-L587 HydrophobicContact CG-CD1 4.33Å; R583-L587 WeakPolarHBondContact O-CG 3.5Å; R583-L587 PolarHBondContact O-N 2.89Å; E584-L587 CarbonylContact O-C 3.53Å; E584-L587 WeakPolarHBondContact O-CA 3.38Å; E584-L587 WeakPolarHBondContact O-CB 3.32Å; E584-L587 PolarHBondContact O-N 3.38Å; L587-R589 VanDerWaalsContact C-N 3.26Å |
| 588 | R | 94.1 | Very high | 94.9 | Very high | 95 Ų | 95 | 42.5 Ų | 42.5 | 36% | 0.358 | 21% | 0.21 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -80 | -3.7 | 169.5 | -67 | -70.9 | -171.4 | 161.5 | -0 | 113.5 | L251 E584 H585 T586 V590 | L251-R588 PolarHBondContact O-NH1 3.2Å; E584-R588 WeakPolarHBondContact O-CG 3.41Å; E584-R588 PolarHBondContact O-N 2.92Å; H585-R588 CarbonylContact O-C 3.6Å; H585-R588 PolarHBondContact O-N 2.82Å; T586-R588 VanDerWaalsContact C-N 3.31Å; R588-V590 VanDerWaalsContact C-N 3.26Å; R588-V590 HydrophobicContact CB-CG2 4.17Å; R588-V590 PolarHBondContact O-N 2.62Å |
| 589 | R | 93.8 | Very high | 94.8 | Very high | 33 Ų | 33 | 48 Ų | 48 | 13% | 0.125 | 23% | 0.232 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 60.9 | 26.9 | 174.2 | -54.5 | 179.2 | 172.6 | 145.7 | -10.2 | 114.9 | I247 L251 A530 G531 F532 H585 T586 L587 | I247-R589 VanDerWaalsContact CG2-NH1 3.29Å; L251-R589 HydrophobicContact CD2-CG 4.37Å; A530-R589 PolarHBondContact O-NE 2.83Å; A530-R589 PolarHBondContact O-NH1 3.49Å; A530-R589 PolarHBondContact O-NH2 2.85Å; G531-R589 VanDerWaalsContact C-CD 3.4Å; G531-R589 WeakPolarHBondContact O-CD 3.44Å; F532-R589 HydrophobicContact CD1-CB 3.84Å; F532-R589 HydrophobicContact CD1-CG 3.82Å; F532-R589 HydrophobicContact CE1-CB 4.04Å; F532-R589 HydrophobicContact CE1-CG 3.62Å; F532-R589 HydrophobicContact CE2-CG 4.38Å; F532-R589 VanDerWaalsContact CE2-NE 3.31Å; F532-R589 HydrophobicContact CG-CB 4.42Å; F532-R589 HydrophobicContact CG-CG 4.29Å; F532-R589 HydrophobicContact CZ-CG 3.92Å; H585-R589 PolarHBondContact O-N 3.3Å; T586-R589 PolarHBondContact O-N 3.38Å; T586-R589 VanDerWaalsContact O-N 3.1Å; L587-R589 VanDerWaalsContact C-N 3.26Å |
| 590 | V | 96.4 | Very high | 94.9 | Very high | 6 Ų | 6 | 47.2 Ų | 47.2 | 4% | 0.036 | 22% | 0.215 | C | C | . | . | trans | -60 | 121.4 | 177.7 | -178.3 | 0 | 0 | 0 | 0 | 110 | V540 V543 H585 R588 Y592 R611 | V540-V590 HydrophobicContact CB-CG1 4.48Å; V540-V590 HydrophobicContact CB-CG2 4.33Å; V540-V590 HydrophobicContact CG1-CG1 4.01Å; V540-V590 HydrophobicContact CG1-CG2 4.31Å; V543-V590 HydrophobicContact CB-CG1 4.24Å; V543-V590 HydrophobicContact CG1-CB 4.46Å; V543-V590 HydrophobicContact CG1-CG1 4.01Å; H585-V590 HydrophobicContact CB-CG2 4.26Å; H585-V590 PolarHBondContact O-N 3.45Å; R588-V590 VanDerWaalsContact C-N 3.26Å; R588-V590 HydrophobicContact CB-CG2 4.17Å; R588-V590 PolarHBondContact O-N 2.62Å; V590-Y592 VanDerWaalsContact C-N 3.35Å; V590-Y592 WeakPolarHBondContact CG1-O 3.38Å; V590-Y592 PolarHBondContact O-N 3.38Å; V590-R611 VanDerWaalsContact O-CB 3.24Å; V590-R611 WeakPolarHBondContact O-CB 3.4Å | ||
| 591 | P | 95.2 | Very high | 94.8 | Very high | 4 Ų | 4 | 45.4 Ų | 45.4 | 3% | 0.026 | 21% | 0.212 | C | C | . | . | S | Bend | trans | -48.1 | -49.1 | -176.3 | -30.1 | 36.3 | 0 | 0 | 0 | 115.1 | T535 A538 V540 Q541 T610 R611 | T535-P591 HydrophobicContact CG2-CB 4.49Å; A538-P591 HydrophobicContact CB-CG 3.52Å; V540-P591 WeakPolarHBondContact O-CD 3.25Å; Q541-P591 WeakPolarHBondContact O-CD 3.41Å; P591-T610 CarbonylContact O-C 3.56Å; P591-T610 WeakPolarHBondContact O-CA 3.49Å; P591-R611 PolarHBondContact O-N 3.4Å |
| 592 | Y | 96.3 | Very high | 94.6 | Very high | 20 Ų | 20 | 53.2 Ų | 53.2 | 8% | 0.078 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128 | 134.7 | -177.1 | -64.7 | -88.2 | 0 | 0 | 0 | 112 | T535 Q541 V542 V543 V590 V608 R609 T610 L616 K627 L628 E631 | T535-Y592 HydrophobicContact CG2-CE2 4.26Å; Q541-Y592 PolarHBondContact O-N 3.48Å; V542-Y592 CarbonylContact C-O 3.56Å; V542-Y592 WeakPolarHBondContact CA-O 3.37Å; V543-Y592 PolarHBondContact N-O 3.39Å; V590-Y592 VanDerWaalsContact C-N 3.35Å; V590-Y592 WeakPolarHBondContact CG1-O 3.38Å; V590-Y592 PolarHBondContact O-N 3.38Å; Y592-V608 HydrophobicContact CD1-CG1 4Å; Y592-R609 WeakPolarHBondContact CA-O 3.31Å; Y592-T610 HydrophobicContact CD1-CG2 4.38Å; Y592-T610 HydrophobicContact CE1-CG2 4.06Å; Y592-L616 HydrophobicContact CE1-CD1 4.31Å; Y592-K627 WeakPolarHBondContact OH-CE 3.23Å; Y592-K627 PolarHBondContact OH-NZ 3.19Å; Y592-L628 HydrophobicContact CD2-CD2 3.3Å; Y592-L628 HydrophobicContact CE2-CD2 3.27Å; Y592-L628 HydrophobicContact CG-CD2 4.02Å; Y592-E631 PolarHBondContact OH-OE2 3.39Å |
| 593 | M | 96.9 | Very high | 94.5 | Very high | 0 Ų | 0 | 54.9 Ų | 54.9 | 0% | 0 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.8 | 111.8 | 177.2 | -76.3 | 173 | -77.4 | 0 | 0 | 107.8 | V543 M545 I582 H585 R609 | V543-M593 HydrophobicContact CG1-CB 4.21Å; V543-M593 HydrophobicContact CG1-CG 3.59Å; V543-M593 CarbonylContact O-C 3.54Å; V543-M593 WeakPolarHBondContact O-CA 3.48Å; M545-M593 HydrophobicContact CE-CB 3.65Å; M545-M593 HydrophobicContact CE-CG 3.96Å; M545-M593 HydrophobicContact CE-SD 4.48Å; I582-M593 HydrophobicContact CG2-SD 4.18Å; H585-M593 HydrophobicContact CB-CG 4.12Å; H585-M593 HydrophobicContact CB-SD 3.91Å; M593-R609 HydrophobicContact CB-CB 4.29Å; M593-R609 HydrophobicContact CE-CG 4.41Å; M593-R609 PolarHBondContact N-O 3.32Å; M593-R609 PolarHBondContact O-N 3.05Å |
| 594 | L | 97 | Very high | 94.3 | Very high | 0 Ų | 0 | 48.2 Ų | 48.2 | 0% | 0 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.7 | 129 | 177.4 | -50.4 | -169.9 | 0 | 0 | 0 | 109 | V542 V543 I544 M545 L562 V606 A607 V608 V624 | V542-L594 HydrophobicContact CG1-CD1 3.67Å; V542-L594 HydrophobicContact CG1-CD2 4.41Å; V542-L594 HydrophobicContact CG1-CG 3.59Å; V543-L594 PolarHBondContact O-N 3.01Å; I544-L594 WeakPolarHBondContact CA-O 3.34Å; I544-L594 HydrophobicContact CB-CB 4.44Å; I544-L594 HydrophobicContact CD1-CD1 4.18Å; I544-L594 HydrophobicContact CG1-CB 4.2Å; I544-L594 HydrophobicContact CG1-CD1 4.08Å; I544-L594 HydrophobicContact CG1-CG 4.39Å; I544-L594 HydrophobicContact CG2-CB 4.2Å; M545-L594 PolarHBondContact N-O 3.09Å; L562-L594 HydrophobicContact CD2-CD1 4.2Å; L594-V606 HydrophobicContact CB-CB 4.42Å; L594-V606 HydrophobicContact CD1-CG1 4.49Å; L594-V606 HydrophobicContact CD1-CG2 4.32Å; L594-V606 HydrophobicContact CD2-CG2 4.49Å; L594-A607 WeakPolarHBondContact CA-O 3.45Å; L594-V608 HydrophobicContact CD2-CB 4.07Å; L594-V608 HydrophobicContact CD2-CG1 3.79Å; L594-V608 HydrophobicContact CD2-CG2 3.83Å; L594-V624 HydrophobicContact CD1-CG1 4.42Å; L594-V624 HydrophobicContact CD2-CG1 4.45Å |
| 595 | V | 96 | Very high | 94.3 | Very high | 22 Ų | 22 | 49.6 Ų | 49.6 | 13% | 0.133 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.2 | 128.8 | 178.3 | -177.9 | 0 | 0 | 0 | 0 | 108.9 | M545 I547 I578 I582 A607 | M545-V595 HydrophobicContact CE-CG2 4Å; M545-V595 WeakPolarHBondContact O-CA 3.47Å; I547-V595 HydrophobicContact CD1-CG1 4.19Å; I547-V595 HydrophobicContact CG1-CG1 3.91Å; I578-V595 HydrophobicContact CD1-CG1 3.99Å; I578-V595 HydrophobicContact CD1-CG2 4.29Å; I578-V595 HydrophobicContact CG1-CG1 4.12Å; I582-V595 HydrophobicContact CD1-CG2 4.32Å; V595-A607 HydrophobicContact CB-CB 4.3Å; V595-A607 PolarHBondContact N-O 2.69Å; V595-A607 WeakPolarHBondContact O-CB 3.44Å; V595-A607 PolarHBondContact O-N 2.78Å |
| 596 | C | 96.1 | Very high | 94.3 | Very high | 0 Ų | 0 | 48.3 Ų | 48.3 | 0% | 0 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.2 | 109.3 | 177 | -56.2 | 0 | 0 | 0 | 0 | 109.4 | M545 I547 Y554 V555 | M545-C596 PolarHBondContact O-N 3.1Å; I547-C596 PolarHBondContact N-O 3.35Å; I547-C596 VanDerWaalsContact N-O 3.13Å; Y554-C596 HydrophobicContact CD1-CB 4.1Å; Y554-C596 HydrophobicContact CE1-CB 4.34Å; V555-C596 HydrophobicContact CG2-CB 3.86Å |
| 597 | G | 94.1 | Very high | 94.4 | Very high | 2 Ų | 2 | 47 Ų | 47 | 2% | 0.021 | 24% | 0.242 | C | C | . | . | trans | -103.7 | -174.2 | 163.6 | 0 | 0 | 0 | 0 | 0 | 111.5 | K599 E600 V601 | G597-K599 VanDerWaalsContact C-N 3.25Å; G597-K599 PolarHBondContact O-N 3.17Å; G597-E600 WeakPolarHBondContact CA-OE2 3.33Å; G597-E600 PolarHBondContact N-OE2 2.92Å; G597-E600 PolarHBondContact O-N 3.27Å; G597-E600 VanDerWaalsContact O-N 3.12Å; G597-V601 WeakPolarHBondContact O-CG2 3.45Å; G597-V601 PolarHBondContact O-N 2.82Å; G597-V601 VanDerWaalsContact O-N 3.08Å | ||
| 598 | D | 93.7 | Very high | 94.5 | Very high | 92 Ų | 92 | 42.7 Ų | 42.7 | 49% | 0.492 | 22% | 0.219 | S | C | . | . | H | α-helix | trans | -57.1 | -39.6 | 179.5 | -58.9 | -43.4 | 0 | 0 | 0 | 112.1 | Q551 E600 V601 E602 | Q551-D598 PolarHBondContact NE2-OD1 3.06Å; D598-E600 VanDerWaalsContact C-N 3.35Å; D598-E600 PolarHBondContact O-N 2.74Å; D598-V601 PolarHBondContact O-N 3.29Å; D598-E602 WeakPolarHBondContact O-CB 3.45Å; D598-E602 VanDerWaalsContact O-CG 3.31Å; D598-E602 WeakPolarHBondContact O-CG 3.38Å; D598-E602 PolarHBondContact O-N 3.45Å |
| 599 | K | 92.5 | Very high | 94.4 | Very high | 158 Ų | 158 | 42.6 Ų | 42.6 | 69% | 0.687 | 22% | 0.219 | S | C | * | . | H | α-helix | trans | -63.3 | -38.9 | 177.7 | -67 | -173 | 178 | -173.7 | 0 | 113.2 | G597 S603 | G597-K599 VanDerWaalsContact C-N 3.25Å; G597-K599 PolarHBondContact O-N 3.17Å; K599-S603 WeakPolarHBondContact O-CB 3.47Å; K599-S603 PolarHBondContact O-N 3.48Å; K599-S603 VanDerWaalsContact O-N 3.09Å; K599-S603 PolarHBondContact O-OG 2.78Å |
| 600 | E | 94.1 | Very high | 94.3 | Very high | 34 Ų | 34 | 42.1 Ų | 42.1 | 16% | 0.159 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -70.2 | -38.4 | 178.7 | -77.4 | 73.3 | -142.2 | 0 | 0 | 111.1 | G597 D598 G604 K605 A607 | G597-E600 WeakPolarHBondContact CA-OE2 3.33Å; G597-E600 PolarHBondContact N-OE2 2.92Å; G597-E600 PolarHBondContact O-N 3.27Å; G597-E600 VanDerWaalsContact O-N 3.12Å; D598-E600 VanDerWaalsContact C-N 3.35Å; D598-E600 PolarHBondContact O-N 2.74Å; E600-G604 PolarHBondContact O-N 2.87Å; E600-K605 WeakPolarHBondContact CB-O 3.38Å; E600-K605 PolarHBondContact O-N 3.35Å; E600-A607 HydrophobicContact CG-CB 4.32Å |
| 601 | V | 92.9 | Very high | 93.9 | Very high | 59 Ų | 59 | 42.8 Ų | 42.8 | 36% | 0.358 | 22% | 0.221 | S | C | . | . | H | α-helix | trans | -64.2 | -50.5 | 173.1 | 178.7 | 0 | 0 | 0 | 0 | 110.9 | Q551 Y554 G597 D598 S603 G604 | Q551-V601 HydrophobicContact CB-CG2 3.88Å; Q551-V601 HydrophobicContact CG-CG2 3.5Å; Y554-V601 HydrophobicContact CD1-CB 4.41Å; Y554-V601 HydrophobicContact CD1-CG2 3.59Å; Y554-V601 HydrophobicContact CE1-CG2 4.19Å; Y554-V601 HydrophobicContact CG-CG2 3.94Å; G597-V601 WeakPolarHBondContact O-CG2 3.45Å; G597-V601 PolarHBondContact O-N 2.82Å; G597-V601 VanDerWaalsContact O-N 3.08Å; D598-V601 PolarHBondContact O-N 3.29Å; V601-S603 VanDerWaalsContact C-N 3.26Å; V601-S603 PolarHBondContact O-N 3.46Å; V601-G604 PolarHBondContact O-N 3.45Å |
| 602 | E | 92.3 | Very high | 93.3 | Very high | 167 Ų | 167 | 50.8 Ų | 50.8 | 78% | 0.78 | 25% | 0.251 | S | S | * | . | H | α-helix | trans | -60 | -34.7 | -179.6 | -75.2 | 171.8 | -174.2 | 0 | 0 | 113.1 | D598 | D598-E602 WeakPolarHBondContact O-CB 3.45Å; D598-E602 VanDerWaalsContact O-CG 3.31Å; D598-E602 WeakPolarHBondContact O-CG 3.38Å; D598-E602 PolarHBondContact O-N 3.45Å |
| 603 | S | 92 | Very high | 92.6 | Very high | 64 Ų | 64 | 51.4 Ų | 51.4 | 45% | 0.448 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -93.8 | -4.2 | -178.7 | 59.6 | 0 | 0 | 0 | 0 | 114.5 | K599 V601 K605 | K599-S603 WeakPolarHBondContact O-CB 3.47Å; K599-S603 PolarHBondContact O-N 3.48Å; K599-S603 VanDerWaalsContact O-N 3.09Å; K599-S603 PolarHBondContact O-OG 2.78Å; V601-S603 VanDerWaalsContact C-N 3.26Å; V601-S603 PolarHBondContact O-N 3.46Å; S603-K605 VanDerWaalsContact C-N 3.27Å; S603-K605 PolarHBondContact O-N 3.06Å |
| 604 | G | 90.4 | Very high | 92.1 | Very high | 33 Ų | 33 | 57.7 Ų | 57.7 | 34% | 0.34 | 29% | 0.291 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 64.7 | 28.2 | -174.5 | 0 | 0 | 0 | 0 | 0 | 113.7 | Y554 E600 V601 | Y554-G604 WeakPolarHBondContact OH-CA 3.32Å; Y554-G604 PolarHBondContact OH-O 2.97Å; E600-G604 PolarHBondContact O-N 2.87Å; V601-G604 PolarHBondContact O-N 3.45Å |
| 605 | K | 95.1 | Very high | 91.7 | Very high | 82 Ų | 82 | 63.2 Ų | 63.2 | 36% | 0.357 | 32% | 0.32 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118 | 179.9 | -175.2 | -67.2 | -170.9 | -179.1 | -168.2 | 0 | 112.2 | Y554 E600 S603 S618 M619 | Y554-K605 PolarHBondContact OH-N 3.15Å; Y554-K605 PolarHBondContact OH-O 2.89Å; E600-K605 WeakPolarHBondContact CB-O 3.38Å; E600-K605 PolarHBondContact O-N 3.35Å; S603-K605 VanDerWaalsContact C-N 3.27Å; S603-K605 PolarHBondContact O-N 3.06Å; K605-S618 WeakPolarHBondContact CB-OG 3.34Å; K605-S618 WeakPolarHBondContact CD-OG 3.24Å; K605-M619 WeakPolarHBondContact CA-O 3.26Å; K605-M619 WeakPolarHBondContact CB-O 3.36Å |
| 606 | V | 94.7 | Very high | 91.3 | Very high | 0 Ų | 0 | 64.8 Ų | 64.8 | 0% | 0 | 33% | 0.328 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.8 | 142.7 | 173 | -70.5 | 0 | 0 | 0 | 0 | 111 | L558 L594 V608 S618 M619 V624 | L558-V606 HydrophobicContact CD1-CG1 3.32Å; L594-V606 HydrophobicContact CB-CB 4.42Å; L594-V606 HydrophobicContact CD1-CG1 4.49Å; L594-V606 HydrophobicContact CD1-CG2 4.32Å; L594-V606 HydrophobicContact CD2-CG2 4.49Å; V606-V608 HydrophobicContact CG2-CG2 3.91Å; V606-S618 CarbonylContact O-C 3.56Å; V606-S618 VanDerWaalsContact O-CA 3.31Å; V606-S618 WeakPolarHBondContact O-CA 3.3Å; V606-M619 PolarHBondContact N-O 3.2Å; V606-M619 PolarHBondContact O-N 3.36Å; V606-V624 HydrophobicContact CG2-CG2 4.02Å |
| 607 | A | 95.4 | Very high | 91 | Very high | 22 Ų | 22 | 66.1 Ų | 66.1 | 18% | 0.182 | 34% | 0.342 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.8 | 115.4 | 170 | 0 | 0 | 0 | 0 | 0 | 109.7 | L594 V595 E600 G617 | L594-A607 WeakPolarHBondContact CA-O 3.45Å; V595-A607 HydrophobicContact CB-CB 4.3Å; V595-A607 PolarHBondContact N-O 2.69Å; V595-A607 WeakPolarHBondContact O-CB 3.44Å; V595-A607 PolarHBondContact O-N 2.78Å; E600-A607 HydrophobicContact CG-CB 4.32Å; A607-G617 WeakPolarHBondContact CA-O 3.43Å |
| 608 | V | 94.7 | Very high | 90.9 | Very high | 3 Ų | 3 | 69 Ų | 69 | 2% | 0.018 | 36% | 0.362 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.7 | 123.1 | -170.5 | -172.9 | 0 | 0 | 0 | 0 | 111 | Y592 L594 V606 L616 G617 M619 V624 | Y592-V608 HydrophobicContact CD1-CG1 4Å; L594-V608 HydrophobicContact CD2-CB 4.07Å; L594-V608 HydrophobicContact CD2-CG1 3.79Å; L594-V608 HydrophobicContact CD2-CG2 3.83Å; V606-V608 HydrophobicContact CG2-CG2 3.91Å; V608-L616 HydrophobicContact CB-CB 4.15Å; V608-L616 HydrophobicContact CG1-CB 4.41Å; V608-L616 HydrophobicContact CG1-CD1 3.93Å; V608-L616 PolarHBondContact O-N 3.38Å; V608-G617 PolarHBondContact N-O 2.93Å; V608-M619 HydrophobicContact CB-SD 4.17Å; V608-M619 HydrophobicContact CG2-CB 3.91Å; V608-M619 HydrophobicContact CG2-CG 4.01Å; V608-M619 HydrophobicContact CG2-SD 3.82Å; V608-V624 HydrophobicContact CG2-CG2 3.57Å |
| 609 | R | 93.2 | Very high | 90.8 | Very high | 93 Ų | 93 | 66.3 Ų | 66.3 | 35% | 0.351 | 35% | 0.347 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.6 | 136.2 | 175 | -171.5 | -180 | -169.4 | 144.2 | 9.7 | 111.3 | Y592 M593 | Y592-R609 WeakPolarHBondContact CA-O 3.31Å; M593-R609 HydrophobicContact CB-CB 4.29Å; M593-R609 HydrophobicContact CE-CG 4.41Å; M593-R609 PolarHBondContact N-O 3.32Å; M593-R609 PolarHBondContact O-N 3.05Å |
| 610 | T | 92.1 | Very high | 90.9 | Very high | 23 Ų | 23 | 61.1 Ų | 61.1 | 14% | 0.141 | 33% | 0.326 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.5 | 157.6 | 173 | 65.4 | 0 | 0 | 0 | 0 | 111.9 | P591 Y592 R612 G613 K614 L616 | P591-T610 CarbonylContact O-C 3.56Å; P591-T610 WeakPolarHBondContact O-CA 3.49Å; Y592-T610 HydrophobicContact CD1-CG2 4.38Å; Y592-T610 HydrophobicContact CE1-CG2 4.06Å; T610-R612 PolarHBondContact O-N 3.24Å; T610-R612 VanDerWaalsContact O-N 3.12Å; T610-G613 PolarHBondContact O-N 3.33Å; T610-K614 HydrophobicContact CG2-CB 4.43Å; T610-K614 PolarHBondContact N-O 2.79Å; T610-K614 VanDerWaalsContact OG1-CB 3.32Å; T610-K614 WeakPolarHBondContact OG1-CB 3.44Å; T610-K614 PolarHBondContact OG1-N 3.21Å; T610-K614 VanDerWaalsContact OG1-N 3.12Å; T610-K614 PolarHBondContact OG1-O 3.42Å; T610-K614 VanDerWaalsContact OG1-O 3.06Å; T610-L616 HydrophobicContact CG2-CD1 4.09Å; T610-L616 HydrophobicContact CG2-CG 4.25Å |
| 611 | R | 87.6 | Confident | 90.8 | Very high | 20 Ų | 20 | 59.7 Ų | 59.7 | 8% | 0.075 | 32% | 0.32 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -53.5 | -29 | 173.9 | 72.5 | -169.4 | 178.3 | -173 | -3 | 115.2 | F532 F533 V590 P591 G613 E638 | F532-R611 HydrophobicContact CD1-CG 4.23Å; F532-R611 VanDerWaalsContact O-CZ 3.25Å; F532-R611 PolarHBondContact O-NH1 2.82Å; F532-R611 VanDerWaalsContact O-NH1 3.1Å; F532-R611 PolarHBondContact O-NH2 3.31Å; F533-R611 PolarHBondContact O-NH1 2.95Å; V590-R611 VanDerWaalsContact O-CB 3.24Å; V590-R611 WeakPolarHBondContact O-CB 3.4Å; P591-R611 PolarHBondContact O-N 3.4Å; R611-G613 PolarHBondContact O-N 3.32Å; R611-E638 IonicContact CZ-OE1 3.79Å; R611-E638 IonicContact NE-OE1 3.86Å; R611-E638 IonicContact NH2-OE1 3.45Å; R611-E638 PolarHBondContact NH2-OE1 2.97Å |
| 612 | R | 83.1 | Confident | 90.8 | Very high | 172 Ų | 172 | 60.3 Ų | 60.3 | 65% | 0.649 | 32% | 0.321 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.7 | 1.4 | 177.8 | -66.9 | -171.7 | 173.5 | 178.6 | -1.2 | 113.2 | T610 E638 | T610-R612 PolarHBondContact O-N 3.24Å; T610-R612 VanDerWaalsContact O-N 3.12Å; R612-E638 IonicContact CZ-OE1 3.36Å; R612-E638 IonicContact CZ-OE2 3.65Å; R612-E638 IonicContact NE-OE1 3Å; R612-E638 PolarHBondContact NE-OE1 3.25Å; R612-E638 IonicContact NE-OE2 3.19Å; R612-E638 IonicContact NH1-OE1 3.81Å; R612-E638 IonicContact NH1-OE2 3.9Å; R612-E638 PolarHBondContact NH1-OE2 3.23Å; R612-E638 IonicContact NH2-OE1 2.71Å; R612-E638 PolarHBondContact NH2-OE1 2.82Å; R612-E638 IonicContact NH2-OE2 3.03Å; R612-E638 PolarHBondContact NH2-OE2 3.19Å |
| 613 | G | 81 | Confident | 90.9 | Very high | 34 Ų | 34 | 57.3 Ų | 57.3 | 35% | 0.351 | 31% | 0.307 | S | S | . | . | S | Bend | trans | 85.9 | 3.9 | 176.4 | 0 | 0 | 0 | 0 | 0 | 114.8 | T610 R611 D615 | T610-G613 PolarHBondContact O-N 3.33Å; R611-G613 PolarHBondContact O-N 3.32Å; G613-D615 PolarHBondContact O-N 3.49Å |
| 614 | K | 86.2 | Confident | 90.9 | Very high | 132 Ų | 132 | 54.5 Ų | 54.5 | 57% | 0.574 | 29% | 0.287 | S | S | * | . | trans | -66.9 | 122.2 | 168.7 | -174.9 | -175.6 | 179.4 | -170.9 | 0 | 108.2 | T610 L616 | T610-K614 HydrophobicContact CG2-CB 4.43Å; T610-K614 PolarHBondContact N-O 2.79Å; T610-K614 VanDerWaalsContact OG1-CB 3.32Å; T610-K614 WeakPolarHBondContact OG1-CB 3.44Å; T610-K614 PolarHBondContact OG1-N 3.21Å; T610-K614 VanDerWaalsContact OG1-N 3.12Å; T610-K614 PolarHBondContact OG1-O 3.42Å; T610-K614 VanDerWaalsContact OG1-O 3.06Å; K614-L616 HydrophobicContact CD-CD2 3.8Å; K614-L616 HydrophobicContact CG-CD2 4.04Å | ||
| 615 | D | 87.9 | Confident | 91.1 | Very high | 115 Ų | 115 | 53.6 Ų | 53.6 | 62% | 0.615 | 28% | 0.275 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -88.7 | 118.9 | 173.5 | -172.9 | -6.7 | 0 | 0 | 0 | 107.7 | G613 G617 | G613-D615 PolarHBondContact O-N 3.49Å; D615-G617 VanDerWaalsContact C-N 3.32Å; D615-G617 PolarHBondContact OD1-N 3.26Å |
| 616 | L | 88.6 | Confident | 91.1 | Very high | 55 Ų | 55 | 55.9 Ų | 55.9 | 29% | 0.288 | 29% | 0.287 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.7 | -2.7 | 177.7 | -56.8 | -179.7 | 0 | 0 | 0 | 111.6 | Y592 V608 T610 K614 M619 | Y592-L616 HydrophobicContact CE1-CD1 4.31Å; V608-L616 HydrophobicContact CB-CB 4.15Å; V608-L616 HydrophobicContact CG1-CB 4.41Å; V608-L616 HydrophobicContact CG1-CD1 3.93Å; V608-L616 PolarHBondContact O-N 3.38Å; T610-L616 HydrophobicContact CG2-CD1 4.09Å; T610-L616 HydrophobicContact CG2-CG 4.25Å; K614-L616 HydrophobicContact CD-CD2 3.8Å; K614-L616 HydrophobicContact CG-CD2 4.04Å; L616-M619 HydrophobicContact CB-SD 4Å; L616-M619 HydrophobicContact CD1-SD 4.43Å |
| 617 | G | 89 | Confident | 91 | Very high | 29 Ų | 29 | 59.6 Ų | 59.6 | 30% | 0.299 | 30% | 0.303 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 80 | -163.4 | -178.8 | 0 | 0 | 0 | 0 | 0 | 113.1 | A607 V608 D615 | A607-G617 WeakPolarHBondContact CA-O 3.43Å; V608-G617 PolarHBondContact N-O 2.93Å; D615-G617 VanDerWaalsContact C-N 3.32Å; D615-G617 PolarHBondContact OD1-N 3.26Å |
| 618 | S | 91.5 | Very high | 90.9 | Very high | 62 Ų | 62 | 58.6 Ų | 58.6 | 43% | 0.434 | 29% | 0.294 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.8 | 122.5 | 177 | -177.8 | 0 | 0 | 0 | 0 | 109.6 | K605 V606 | K605-S618 WeakPolarHBondContact CB-OG 3.34Å; K605-S618 WeakPolarHBondContact CD-OG 3.24Å; V606-S618 CarbonylContact O-C 3.56Å; V606-S618 VanDerWaalsContact O-CA 3.31Å; V606-S618 WeakPolarHBondContact O-CA 3.3Å |
| 619 | M | 93.2 | Very high | 90.8 | Very high | 35 Ų | 35 | 60.8 Ų | 60.8 | 17% | 0.172 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.5 | 154.6 | -179 | -63.9 | -179.8 | 62 | 0 | 0 | 110.2 | K605 V606 V608 L616 E623 V624 | K605-M619 WeakPolarHBondContact CA-O 3.26Å; K605-M619 WeakPolarHBondContact CB-O 3.36Å; V606-M619 PolarHBondContact N-O 3.2Å; V606-M619 PolarHBondContact O-N 3.36Å; V608-M619 HydrophobicContact CB-SD 4.17Å; V608-M619 HydrophobicContact CG2-CB 3.91Å; V608-M619 HydrophobicContact CG2-CG 4.01Å; V608-M619 HydrophobicContact CG2-SD 3.82Å; L616-M619 HydrophobicContact CB-SD 4Å; L616-M619 HydrophobicContact CD1-SD 4.43Å; M619-E623 HydrophobicContact CE-CB 4.26Å; M619-V624 HydrophobicContact CB-CG2 3.85Å; M619-V624 HydrophobicContact CE-CG2 4.17Å; M619-V624 HydrophobicContact SD-CG2 4.33Å |
| 620 | D | 93.8 | Very high | 90.8 | Very high | 49 Ų | 49 | 63.1 Ų | 63.1 | 26% | 0.262 | 32% | 0.319 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.8 | 143.3 | 168.2 | -169.6 | -88.1 | 0 | 0 | 0 | 109.7 | N622 E623 V624 | D620-N622 PolarHBondContact O-N 2.95Å; D620-N622 WeakPolarHBondContact OD1-CB 3.29Å; D620-N622 PolarHBondContact OD1-N 2.88Å; D620-N622 PolarHBondContact OD1-ND2 2.62Å; D620-E623 HydrophobicContact CB-CB 4.32Å; D620-E623 HydrophobicContact CB-CG 3.94Å; D620-E623 PolarHBondContact N-OE2 2.7Å; D620-E623 PolarHBondContact O-N 3.12Å; D620-V624 WeakPolarHBondContact O-CG2 3.42Å; D620-V624 PolarHBondContact O-N 3.36Å; D620-V624 VanDerWaalsContact O-N 3.16Å |
| 621 | V | 91.9 | Very high | 90.7 | Very high | 5 Ų | 5 | 63.4 Ų | 63.4 | 3% | 0.03 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -65.9 | -29.6 | -178.7 | 68.7 | 0 | 0 | 0 | 0 | 112.4 | L558 K561 L562 V624 I625 | L558-V621 HydrophobicContact CD2-CB 4.25Å; L558-V621 HydrophobicContact CD2-CG1 4.13Å; L558-V621 HydrophobicContact CD2-CG2 4.08Å; K561-V621 HydrophobicContact CD-CG1 4.1Å; L562-V621 HydrophobicContact CD1-CG2 3.64Å; V621-V624 PolarHBondContact O-N 3.46Å; V621-I625 HydrophobicContact CG2-CD1 4.31Å; V621-I625 WeakPolarHBondContact O-CG1 3.47Å; V621-I625 PolarHBondContact O-N 3.48Å |
| 622 | N | 93.6 | Very high | 91 | Very high | 71 Ų | 71 | 64.2 Ų | 64.2 | 38% | 0.38 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -70.1 | -41.1 | 177.4 | -56 | -54.6 | 0 | 0 | 0 | 111 | K561 D620 V624 I625 E626 | K561-N622 WeakPolarHBondContact CE-OD1 3.39Å; K561-N622 PolarHBondContact NZ-OD1 2.84Å; D620-N622 PolarHBondContact O-N 2.95Å; D620-N622 WeakPolarHBondContact OD1-CB 3.29Å; D620-N622 PolarHBondContact OD1-N 2.88Å; D620-N622 PolarHBondContact OD1-ND2 2.62Å; N622-V624 PolarHBondContact O-N 2.95Å; N622-I625 PolarHBondContact O-N 3.43Å; N622-I625 VanDerWaalsContact O-N 3.12Å; N622-E626 WeakPolarHBondContact O-CG 3.16Å; N622-E626 PolarHBondContact O-N 3.36Å |
| 623 | E | 93.5 | Very high | 91.3 | Very high | 104 Ų | 104 | 64.8 Ų | 64.8 | 49% | 0.486 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -58.3 | -38.8 | 172.3 | -68.1 | 172.7 | 179.1 | 0 | 0 | 111.3 | M619 D620 K627 | M619-E623 HydrophobicContact CE-CB 4.26Å; D620-E623 HydrophobicContact CB-CB 4.32Å; D620-E623 HydrophobicContact CB-CG 3.94Å; D620-E623 PolarHBondContact N-OE2 2.7Å; D620-E623 PolarHBondContact O-N 3.12Å; E623-K627 VanDerWaalsContact O-CB 3.25Å; E623-K627 WeakPolarHBondContact O-CB 3.31Å; E623-K627 PolarHBondContact O-N 2.82Å |
| 624 | V | 92.9 | Very high | 91.7 | Very high | 5 Ų | 5 | 66.7 Ų | 66.7 | 3% | 0.03 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -66.5 | -43.5 | 175.7 | 175.7 | 0 | 0 | 0 | 0 | 111.3 | L594 V606 V608 M619 D620 V621 N622 L628 | L594-V624 HydrophobicContact CD1-CG1 4.42Å; L594-V624 HydrophobicContact CD2-CG1 4.45Å; V606-V624 HydrophobicContact CG2-CG2 4.02Å; V608-V624 HydrophobicContact CG2-CG2 3.57Å; M619-V624 HydrophobicContact CB-CG2 3.85Å; M619-V624 HydrophobicContact CE-CG2 4.17Å; M619-V624 HydrophobicContact SD-CG2 4.33Å; D620-V624 WeakPolarHBondContact O-CG2 3.42Å; D620-V624 PolarHBondContact O-N 3.36Å; D620-V624 VanDerWaalsContact O-N 3.16Å; V621-V624 PolarHBondContact O-N 3.46Å; N622-V624 PolarHBondContact O-N 2.95Å; V624-L628 HydrophobicContact CG1-CD1 3.77Å; V624-L628 HydrophobicContact CG1-CG 4.36Å; V624-L628 WeakPolarHBondContact O-CB 3.39Å; V624-L628 WeakPolarHBondContact O-CG 3.5Å; V624-L628 PolarHBondContact O-N 3.06Å |
| 625 | I | 95.1 | Very high | 91.8 | Very high | 15 Ų | 15 | 64.1 Ų | 64.1 | 8% | 0.077 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -61.9 | -49.9 | 177.7 | -71.6 | 166.1 | 0 | 0 | 0 | 110.7 | K561 L562 A565 I567 V621 N622 K627 L628 Q629 | K561-I625 HydrophobicContact CD-CD1 4.35Å; K561-I625 HydrophobicContact CG-CD1 4.03Å; L562-I625 HydrophobicContact CD1-CD1 4.29Å; L562-I625 HydrophobicContact CD1-CG1 4.23Å; L562-I625 HydrophobicContact CG-CG1 4.1Å; A565-I625 HydrophobicContact CB-CG2 3.71Å; I567-I625 HydrophobicContact CD1-CB 4.39Å; I567-I625 HydrophobicContact CD1-CG1 4.18Å; I567-I625 HydrophobicContact CD1-CG2 4.23Å; V621-I625 HydrophobicContact CG2-CD1 4.31Å; V621-I625 WeakPolarHBondContact O-CG1 3.47Å; V621-I625 PolarHBondContact O-N 3.48Å; N622-I625 PolarHBondContact O-N 3.43Å; N622-I625 VanDerWaalsContact O-N 3.12Å; I625-K627 VanDerWaalsContact C-N 3.34Å; I625-K627 PolarHBondContact O-N 2.97Å; I625-L628 PolarHBondContact O-N 3.38Å; I625-Q629 HydrophobicContact CG2-CG 4.25Å; I625-Q629 WeakPolarHBondContact O-CB 3.01Å; I625-Q629 WeakPolarHBondContact O-CG 3.49Å; I625-Q629 PolarHBondContact O-N 3.19Å |
| 626 | E | 94.3 | Very high | 91.4 | Very high | 129 Ų | 129 | 59.3 Ų | 59.3 | 60% | 0.603 | 30% | 0.297 | S | S | * | . | H | α-helix | trans | -57.9 | -47.9 | 178.9 | -74 | 173.3 | -173.7 | 0 | 0 | 111.2 | N622 L628 Q629 Q630 | N622-E626 WeakPolarHBondContact O-CG 3.16Å; N622-E626 PolarHBondContact O-N 3.36Å; E626-L628 VanDerWaalsContact C-N 3.34Å; E626-L628 PolarHBondContact O-N 2.8Å; E626-Q629 PolarHBondContact O-N 3.08Å; E626-Q630 WeakPolarHBondContact O-CB 3.43Å; E626-Q630 PolarHBondContact O-N 2.97Å |
| 627 | K | 92.1 | Very high | 90.8 | Very high | 79 Ų | 79 | 58.8 Ų | 58.8 | 34% | 0.343 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -58 | -45.5 | 176.9 | 174 | 167.9 | 168.2 | 35.4 | 0 | 112.2 | Y592 E623 I625 E631 | Y592-K627 WeakPolarHBondContact OH-CE 3.23Å; Y592-K627 PolarHBondContact OH-NZ 3.19Å; E623-K627 VanDerWaalsContact O-CB 3.25Å; E623-K627 WeakPolarHBondContact O-CB 3.31Å; E623-K627 PolarHBondContact O-N 2.82Å; I625-K627 VanDerWaalsContact C-N 3.34Å; I625-K627 PolarHBondContact O-N 2.97Å; K627-E631 IonicContact NZ-OE2 3.56Å; K627-E631 PolarHBondContact NZ-OE2 3.16Å; K627-E631 VanDerWaalsContact NZ-OE2 3.07Å; K627-E631 WeakPolarHBondContact O-CB 3.44Å; K627-E631 PolarHBondContact O-N 2.9Å; K627-E631 VanDerWaalsContact O-N 3.08Å |
| 628 | L | 93.3 | Very high | 89.2 | Confident | 1 Ų | 1 | 60.9 Ų | 60.9 | 1% | 0.005 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -69 | -42.4 | -179.1 | -72.1 | 171.4 | 0 | 0 | 0 | 111.6 | T535 V542 I567 Y592 V624 I625 E626 Q630 E631 I632 | T535-L628 HydrophobicContact CG2-CD2 4.06Å; V542-L628 HydrophobicContact CG2-CD1 3.43Å; V542-L628 VanDerWaalsContact CG2-CD1 3.43Å; V542-L628 HydrophobicContact CG2-CD2 4.47Å; I567-L628 HydrophobicContact CD1-CB 3.88Å; I567-L628 HydrophobicContact CD1-CD1 3.95Å; I567-L628 HydrophobicContact CG1-CB 4.49Å; I567-L628 HydrophobicContact CG2-CD1 4.26Å; Y592-L628 HydrophobicContact CD2-CD2 3.3Å; Y592-L628 HydrophobicContact CE2-CD2 3.27Å; Y592-L628 HydrophobicContact CG-CD2 4.02Å; V624-L628 HydrophobicContact CG1-CD1 3.77Å; V624-L628 HydrophobicContact CG1-CG 4.36Å; V624-L628 WeakPolarHBondContact O-CB 3.39Å; V624-L628 WeakPolarHBondContact O-CG 3.5Å; V624-L628 PolarHBondContact O-N 3.06Å; I625-L628 PolarHBondContact O-N 3.38Å; E626-L628 VanDerWaalsContact C-N 3.34Å; E626-L628 PolarHBondContact O-N 2.8Å; L628-Q630 VanDerWaalsContact C-N 3.34Å; L628-Q630 PolarHBondContact O-N 3.14Å; L628-E631 PolarHBondContact O-N 3.48Å; L628-I632 WeakPolarHBondContact O-CB 3.46Å; L628-I632 WeakPolarHBondContact O-CD1 3.35Å; L628-I632 WeakPolarHBondContact O-CG1 3.4Å; L628-I632 PolarHBondContact O-N 2.87Å |
| 629 | Q | 94 | Very high | 87 | Confident | 49 Ų | 49 | 61.8 Ų | 61.8 | 23% | 0.229 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -62.8 | -41.4 | 176.9 | -75.1 | -176.9 | -29.8 | 0 | 0 | 111.6 | A565 I625 E626 I632 R633 | A565-Q629 PolarHBondContact O-NE2 2.93Å; I625-Q629 HydrophobicContact CG2-CG 4.25Å; I625-Q629 WeakPolarHBondContact O-CB 3.01Å; I625-Q629 WeakPolarHBondContact O-CG 3.49Å; I625-Q629 PolarHBondContact O-N 3.19Å; E626-Q629 PolarHBondContact O-N 3.08Å; Q629-I632 PolarHBondContact O-N 2.97Å; Q629-R633 VanDerWaalsContact O-CB 3.31Å; Q629-R633 WeakPolarHBondContact O-CB 3.41Å; Q629-R633 WeakPolarHBondContact O-CG 3.29Å; Q629-R633 PolarHBondContact O-N 2.62Å |
| 630 | Q | 92.4 | Very high | 84.6 | Confident | 142 Ų | 142 | 65.2 Ų | 65.2 | 66% | 0.664 | 33% | 0.331 | S | S | * | . | H | α-helix | trans | -60.5 | -49.9 | 174.4 | -172.8 | -178.4 | 15.7 | 0 | 0 | 111 | E626 L628 I632 R633 S634 | E626-Q630 WeakPolarHBondContact O-CB 3.43Å; E626-Q630 PolarHBondContact O-N 2.97Å; L628-Q630 VanDerWaalsContact C-N 3.34Å; L628-Q630 PolarHBondContact O-N 3.14Å; Q630-I632 VanDerWaalsContact C-N 3.3Å; Q630-I632 PolarHBondContact O-N 3.44Å; Q630-R633 PolarHBondContact O-N 3.41Å; Q630-S634 WeakPolarHBondContact O-CB 3.48Å; Q630-S634 PolarHBondContact O-N 2.77Å; Q630-S634 PolarHBondContact O-OG 2.64Å |
| 631 | E | 90.6 | Very high | 82.5 | Confident | 28 Ų | 28 | 71.1 Ų | 71.1 | 13% | 0.131 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -61.9 | -36.1 | 179.5 | -169.8 | 175.9 | 146.5 | 0 | 0 | 112.6 | T535 Y592 K627 L628 R635 S636 | T535-E631 VanDerWaalsContact CB-OE1 3.27Å; T535-E631 WeakPolarHBondContact CB-OE1 2.95Å; T535-E631 PolarHBondContact OG1-OE1 3.03Å; Y592-E631 PolarHBondContact OH-OE2 3.39Å; K627-E631 IonicContact NZ-OE2 3.56Å; K627-E631 PolarHBondContact NZ-OE2 3.16Å; K627-E631 VanDerWaalsContact NZ-OE2 3.07Å; K627-E631 WeakPolarHBondContact O-CB 3.44Å; K627-E631 PolarHBondContact O-N 2.9Å; K627-E631 VanDerWaalsContact O-N 3.08Å; L628-E631 PolarHBondContact O-N 3.48Å; E631-R635 PolarHBondContact O-N 3.37Å; E631-S636 PolarHBondContact O-N 3.5Å |
| 632 | I | 92.8 | Very high | 80.5 | Confident | 37 Ų | 37 | 74.7 Ų | 74.7 | 19% | 0.19 | 38% | 0.375 | C | S | . | . | H | α-helix | trans | -70.8 | -47.1 | 176.1 | -68.4 | 162.5 | 0 | 0 | 0 | 111.1 | T535 W536 Q541 I567 L628 Q629 Q630 R635 | T535-I632 HydrophobicContact CG2-CG1 4.09Å; W536-I632 HydrophobicContact CB-CB 4.4Å; W536-I632 HydrophobicContact CB-CG1 4.5Å; W536-I632 HydrophobicContact CB-CG2 4.14Å; Q541-I632 VanDerWaalsContact NE2-CD1 3.27Å; I567-I632 HydrophobicContact CG1-CD1 4.37Å; L628-I632 WeakPolarHBondContact O-CB 3.46Å; L628-I632 WeakPolarHBondContact O-CD1 3.35Å; L628-I632 WeakPolarHBondContact O-CG1 3.4Å; L628-I632 PolarHBondContact O-N 2.87Å; Q629-I632 PolarHBondContact O-N 2.97Å; Q630-I632 VanDerWaalsContact C-N 3.3Å; Q630-I632 PolarHBondContact O-N 3.44Å; I632-R635 PolarHBondContact O-N 3.34Å |
| 633 | R | 89.4 | Confident | 79.1 | Confident | 184 Ų | 184 | 73.8 Ų | 73.8 | 69% | 0.694 | 38% | 0.383 | S | S | * | . | H | α-helix | trans | -65.7 | -43.1 | -178.7 | -74.5 | 175.1 | -172.4 | 173.4 | 5.4 | 112.1 | Q629 Q630 R635 | Q629-R633 VanDerWaalsContact O-CB 3.31Å; Q629-R633 WeakPolarHBondContact O-CB 3.41Å; Q629-R633 WeakPolarHBondContact O-CG 3.29Å; Q629-R633 PolarHBondContact O-N 2.62Å; Q630-R633 PolarHBondContact O-N 3.41Å; R633-R635 PolarHBondContact O-N 2.75Å |
| 634 | S | 88.9 | Confident | 78.2 | Confident | 75 Ų | 75 | 75.6 Ų | 75.6 | 52% | 0.524 | 39% | 0.394 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -74.2 | -8.1 | 177 | 76.8 | 0 | 0 | 0 | 0 | 112.8 | Q630 S636 | Q630-S634 WeakPolarHBondContact O-CB 3.48Å; Q630-S634 PolarHBondContact O-N 2.77Å; Q630-S634 PolarHBondContact O-OG 2.64Å; S634-S636 PolarHBondContact O-N 3.16Å; S634-S636 VanDerWaalsContact O-N 3.11Å; S634-S636 PolarHBondContact OG-N 2.97Å |
| 635 | R | 89.6 | Confident | 77.5 | Confident | 78 Ų | 78 | 77.7 Ų | 77.7 | 29% | 0.294 | 41% | 0.407 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 52.1 | 30.1 | -175.9 | -61.1 | -177.3 | 179.6 | 94.3 | -5.8 | 113.2 | T410 W536 E631 I632 R633 L637 | T410-R635 HydrophobicContact CG2-CB 4.03Å; W536-R635 HydrophobicContact CD2-CB 4.37Å; W536-R635 HydrophobicContact CD2-CG 4.09Å; W536-R635 HydrophobicContact CG-CB 4.18Å; W536-R635 HydrophobicContact CG-CG 4.14Å; E631-R635 PolarHBondContact O-N 3.37Å; I632-R635 PolarHBondContact O-N 3.34Å; R633-R635 PolarHBondContact O-N 2.75Å; R635-L637 PolarHBondContact O-N 3.18Å |
| 636 | S | 78.6 | Confident | 77 | Confident | 14 Ų | 14 | 79.8 Ų | 79.8 | 10% | 0.098 | 42% | 0.423 | C | S | . | . | trans | -59.4 | 136.5 | -173.6 | -174.4 | 0 | 0 | 0 | 0 | 111.5 | E631 S634 E640 | E631-S636 PolarHBondContact O-N 3.5Å; S634-S636 PolarHBondContact O-N 3.16Å; S634-S636 VanDerWaalsContact O-N 3.11Å; S634-S636 PolarHBondContact OG-N 2.97Å; S636-E640 WeakPolarHBondContact CB-OE1 3.37Å; S636-E640 PolarHBondContact OG-OE1 2.84Å | ||
| 637 | L | 75.9 | Confident | 76.6 | Confident | 44 Ų | 44 | 79.5 Ų | 79.5 | 23% | 0.23 | 43% | 0.425 | C | S | . | . | S | Bend | trans | -80.4 | -28.6 | -175.2 | -66.5 | 174.4 | 0 | 0 | 0 | 113.3 | T410 G412 F529 P534 R635 | T410-L637 WeakPolarHBondContact O-CD2 3.4Å; G412-L637 VanDerWaalsContact CA-CD1 3.46Å; G412-L637 VanDerWaalsContact N-CD1 3.3Å; F529-L637 HydrophobicContact CE1-CD2 4.23Å; F529-L637 HydrophobicContact CZ-CD2 3.91Å; P534-L637 HydrophobicContact CB-CD2 4.24Å; P534-L637 HydrophobicContact CG-CD2 3.49Å; P534-L637 VanDerWaalsContact CG-CD2 3.49Å; R635-L637 PolarHBondContact O-N 3.18Å |
| 638 | E | 55.2 | Low | 76.4 | Confident | 72 Ų | 72 | 84.5 Ų | 84.5 | 34% | 0.336 | 44% | 0.441 | S | S | . | . | S | Bend | trans | 170.7 | 115.3 | 169.3 | -104.8 | 170.5 | -173.6 | 0 | 0 | 109.2 | R611 R612 E640 | R611-E638 IonicContact CZ-OE1 3.79Å; R611-E638 IonicContact NE-OE1 3.86Å; R611-E638 IonicContact NH2-OE1 3.45Å; R611-E638 PolarHBondContact NH2-OE1 2.97Å; R612-E638 IonicContact CZ-OE1 3.36Å; R612-E638 IonicContact CZ-OE2 3.65Å; R612-E638 IonicContact NE-OE1 3Å; R612-E638 PolarHBondContact NE-OE1 3.25Å; R612-E638 IonicContact NE-OE2 3.19Å; R612-E638 IonicContact NH1-OE1 3.81Å; R612-E638 IonicContact NH1-OE2 3.9Å; R612-E638 PolarHBondContact NH1-OE2 3.23Å; R612-E638 IonicContact NH2-OE1 2.71Å; R612-E638 PolarHBondContact NH2-OE1 2.82Å; R612-E638 IonicContact NH2-OE2 3.03Å; R612-E638 PolarHBondContact NH2-OE2 3.19Å; E638-E640 VanDerWaalsContact C-N 3.3Å; E638-E640 VanDerWaalsContact O-CA 3.24Å; E638-E640 WeakPolarHBondContact O-CA 3.14Å; E638-E640 PolarHBondContact O-N 3.43Å |
| 639 | G | 45.7 | Very low | 75.9 | Confident | 81 Ų | 81 | 88.7 Ų | 88.7 | 84% | 0.835 | 46% | 0.461 | S | S | * | . | S | Bend | trans | 23.5 | 61.6 | 164.3 | 0 | 0 | 0 | 0 | 0 | 116.4 | ||
| 640 | E | 43.6 | Very low | 75.4 | Confident | 108 Ų | 108 | 86.9 Ų | 86.9 | 51% | 0.505 | 46% | 0.455 | S | S | . | . | trans | -53 | 135.6 | -150.1 | -86.4 | 155.9 | -152.6 | 0 | 0 | 116.1 | S636 E638 L642 | S636-E640 WeakPolarHBondContact CB-OE1 3.37Å; S636-E640 PolarHBondContact OG-OE1 2.84Å; E638-E640 VanDerWaalsContact C-N 3.3Å; E638-E640 VanDerWaalsContact O-CA 3.24Å; E638-E640 WeakPolarHBondContact O-CA 3.14Å; E638-E640 PolarHBondContact O-N 3.43Å; E640-L642 PolarHBondContact O-N 3.06Å | ||
| 641 | Q | 49.3 | Very low | 75.2 | Confident | 172 Ų | 172 | 84.4 Ų | 84.4 | 80% | 0.804 | 45% | 0.446 | S | S | * | . | trans | -70.5 | 112.6 | 145.6 | -176.8 | 170.2 | -17.4 | 0 | 0 | 106.1 | G643 | Q641-G643 PolarHBondContact O-N 3.16Š| ||
| 642 | L | 50 | Low | 75 | Confident | 80 Ų | 80 | 87 Ų | 87 | 42% | 0.419 | 46% | 0.458 | S | S | . | . | trans | -67.1 | 17 | -174.1 | -70 | 163.3 | 0 | 0 | 0 | 114.7 | E640 V645 K653 I675 | E640-L642 PolarHBondContact O-N 3.06Å; L642-V645 WeakPolarHBondContact O-CG1 3.17Å; L642-K653 HydrophobicContact CD1-CD 3.98Å; L642-K653 HydrophobicContact CD2-CD 4.44Å; L642-I675 HydrophobicContact CD1-CD1 3.62Å | ||
| 643 | G | 64.4 | Low | 74.4 | Confident | 52 Ų | 52 | 88.7 Ų | 88.7 | 54% | 0.536 | 46% | 0.464 | S | S | . | . | trans | 72.4 | -167.9 | -171 | 0 | 0 | 0 | 0 | 0 | 113.5 | Q641 | Q641-G643 PolarHBondContact O-N 3.16Š| ||
| 644 | I | 74.6 | Confident | 74.1 | Confident | 143 Ų | 143 | 80.1 Ų | 80.1 | 73% | 0.733 | 43% | 0.432 | S | S | * | . | S | Bend | trans | -84.9 | 115.2 | 168.1 | -60.9 | 173.5 | 0 | 0 | 0 | 106.5 | P670 | I644-P670 HydrophobicContact CD1-CG 3.89Å; I644-P670 HydrophobicContact CG1-CG 3.84Å; I644-P670 HydrophobicContact CG2-CG 3.98Å |
| 645 | V | 77.5 | Confident | 73.9 | Confident | 49 Ų | 49 | 84.1 Ų | 84.1 | 30% | 0.297 | 44% | 0.442 | S | S | . | . | trans | -120.8 | 159.7 | 178 | -61.8 | 0 | 0 | 0 | 0 | 109.8 | L642 E649 A650 | L642-V645 WeakPolarHBondContact O-CG1 3.17Å; V645-E649 HydrophobicContact CB-CB 4.14Å; V645-A650 HydrophobicContact CG2-CB 3.85Å | ||
| 646 | S | 85.3 | Confident | 73.4 | Confident | 58 Ų | 58 | 88.3 Ų | 88.3 | 41% | 0.406 | 47% | 0.465 | S | S | . | . | trans | -63.8 | 155 | 170.7 | 68 | 0 | 0 | 0 | 0 | 110.8 | R648 E649 A650 | S646-R648 PolarHBondContact O-N 3.2Å; S646-E649 WeakPolarHBondContact CB-OE2 3.42Å; S646-E649 PolarHBondContact N-OE2 3.49Å; S646-E649 PolarHBondContact O-N 3.39Å; S646-E649 VanDerWaalsContact OG-CG 3.26Å; S646-E649 WeakPolarHBondContact OG-CG 3.35Å; S646-E649 PolarHBondContact OG-N 2.85Å; S646-E649 PolarHBondContact OG-OE2 3.04Å; S646-A650 PolarHBondContact O-N 3.35Å | ||
| 647 | L | 86.4 | Confident | 73.2 | Confident | 124 Ų | 124 | 90.4 Ų | 90.4 | 65% | 0.649 | 48% | 0.484 | S | S | * | . | H | α-helix | trans | -56.7 | -34.9 | 175.4 | 177.5 | 62 | 0 | 0 | 0 | 111.7 | A650 L651 L661 | L647-A650 PolarHBondContact O-N 3.44Å; L647-L651 HydrophobicContact CD1-CD1 4.26Å; L647-L651 HydrophobicContact CD1-CG 4.31Å; L647-L651 HydrophobicContact CG-CD1 4.09Å; L647-L651 WeakPolarHBondContact O-CG 3.39Å; L647-L651 PolarHBondContact O-N 3.38Å; L647-L661 HydrophobicContact CD1-CD2 4.15Å |
| 648 | R | 87.8 | Confident | 73.5 | Confident | 183 Ų | 183 | 91.6 Ų | 91.6 | 69% | 0.691 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -64.6 | -50.7 | 178.6 | -175 | 178 | 176.6 | 163.2 | 3.2 | 111.6 | S646 A650 L651 E652 | S646-R648 PolarHBondContact O-N 3.2Å; R648-A650 VanDerWaalsContact C-N 3.27Å; R648-A650 PolarHBondContact O-N 3.21Å; R648-L651 PolarHBondContact O-N 3.43Å; R648-L651 VanDerWaalsContact O-N 3.17Å; R648-E652 WeakPolarHBondContact CG-OE1 3.38Å; R648-E652 IonicContact CZ-OE1 3.8Å; R648-E652 IonicContact NE-OE1 2.93Å; R648-E652 PolarHBondContact NE-OE1 3.46Å; R648-E652 IonicContact NH2-OE1 3.78Å; R648-E652 WeakPolarHBondContact O-CG 3.15Å; R648-E652 PolarHBondContact O-N 2.99Å |
| 649 | E | 83.2 | Confident | 75 | Confident | 89 Ų | 89 | 90.4 Ų | 90.4 | 42% | 0.416 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -62.4 | -35.9 | 176 | -70.4 | 164.3 | 137.8 | 0 | 0 | 111.8 | V645 S646 L651 K653 | V645-E649 HydrophobicContact CB-CB 4.14Å; S646-E649 WeakPolarHBondContact CB-OE2 3.42Å; S646-E649 PolarHBondContact N-OE2 3.49Å; S646-E649 PolarHBondContact O-N 3.39Å; S646-E649 VanDerWaalsContact OG-CG 3.26Å; S646-E649 WeakPolarHBondContact OG-CG 3.35Å; S646-E649 PolarHBondContact OG-N 2.85Å; S646-E649 PolarHBondContact OG-OE2 3.04Å; E649-L651 VanDerWaalsContact C-N 3.34Å; E649-K653 WeakPolarHBondContact O-CB 3.45Å; E649-K653 WeakPolarHBondContact O-CG 3.44Å; E649-K653 PolarHBondContact O-N 2.88Å |
| 650 | A | 83.2 | Confident | 77 | Confident | 12 Ų | 12 | 90.4 Ų | 90.4 | 10% | 0.099 | 49% | 0.485 | C | S | . | . | H | α-helix | trans | -65 | -38.1 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | V645 S646 L647 R648 A654 L661 | V645-A650 HydrophobicContact CG2-CB 3.85Å; S646-A650 PolarHBondContact O-N 3.35Å; L647-A650 PolarHBondContact O-N 3.44Å; R648-A650 VanDerWaalsContact C-N 3.27Å; R648-A650 PolarHBondContact O-N 3.21Å; A650-A654 WeakPolarHBondContact O-CB 3.49Å; A650-A654 PolarHBondContact O-N 3.42Å; A650-A654 VanDerWaalsContact O-N 3.15Å; A650-L661 HydrophobicContact CB-CD1 4.05Å; A650-L661 HydrophobicContact CB-CD2 3.64Å |
| 651 | L | 88.2 | Confident | 79.1 | Confident | 90 Ų | 90 | 87.3 Ų | 87.3 | 47% | 0.471 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -72.8 | -45.2 | 176.8 | -74.3 | 169.3 | 0 | 0 | 0 | 111.8 | L647 R648 E649 K653 A654 E655 L661 | L647-L651 HydrophobicContact CD1-CD1 4.26Å; L647-L651 HydrophobicContact CD1-CG 4.31Å; L647-L651 HydrophobicContact CG-CD1 4.09Å; L647-L651 WeakPolarHBondContact O-CG 3.39Å; L647-L651 PolarHBondContact O-N 3.38Å; R648-L651 PolarHBondContact O-N 3.43Å; R648-L651 VanDerWaalsContact O-N 3.17Å; E649-L651 VanDerWaalsContact C-N 3.34Å; L651-K653 VanDerWaalsContact C-N 3.32Å; L651-K653 PolarHBondContact O-N 2.89Å; L651-A654 WeakPolarHBondContact O-CB 3.43Å; L651-A654 PolarHBondContact O-N 2.94Å; L651-A654 VanDerWaalsContact O-N 3.09Å; L651-E655 WeakPolarHBondContact O-CB 3.44Å; L651-E655 PolarHBondContact O-N 2.8Å; L651-L661 HydrophobicContact CD2-CB 4.35Å; L651-L661 HydrophobicContact CD2-CD2 3.99Å; L651-L661 HydrophobicContact CG-CD2 4.17Å |
| 652 | E | 85.5 | Confident | 80.9 | Confident | 82 Ų | 82 | 79.9 Ų | 79.9 | 38% | 0.383 | 44% | 0.438 | S | S | . | . | H | α-helix | trans | -58.2 | -45 | 176.1 | -73.6 | 169.4 | -176.9 | 0 | 0 | 110.5 | R648 A654 E655 E656 | R648-E652 WeakPolarHBondContact CG-OE1 3.38Å; R648-E652 IonicContact CZ-OE1 3.8Å; R648-E652 IonicContact NE-OE1 2.93Å; R648-E652 PolarHBondContact NE-OE1 3.46Å; R648-E652 IonicContact NH2-OE1 3.78Å; R648-E652 WeakPolarHBondContact O-CG 3.15Å; R648-E652 PolarHBondContact O-N 2.99Å; E652-A654 VanDerWaalsContact C-N 3.33Å; E652-A654 PolarHBondContact O-N 3.07Å; E652-E655 PolarHBondContact O-N 3.34Å; E652-E656 WeakPolarHBondContact O-CB 3.49Å; E652-E656 WeakPolarHBondContact O-CG 3.48Å; E652-E656 PolarHBondContact O-N 3.48Å |
| 653 | K | 79.5 | Confident | 82.7 | Confident | 72 Ų | 72 | 82.1 Ų | 82.1 | 31% | 0.313 | 45% | 0.446 | S | S | . | . | H | α-helix | trans | -65.1 | -32.7 | 175.3 | -72.1 | 177.6 | -175.2 | -178.5 | 0 | 113.6 | L642 E649 L651 A657 I675 | L642-K653 HydrophobicContact CD1-CD 3.98Å; L642-K653 HydrophobicContact CD2-CD 4.44Å; E649-K653 WeakPolarHBondContact O-CB 3.45Å; E649-K653 WeakPolarHBondContact O-CG 3.44Å; E649-K653 PolarHBondContact O-N 2.88Å; L651-K653 VanDerWaalsContact C-N 3.32Å; L651-K653 PolarHBondContact O-N 2.89Å; K653-A657 VanDerWaalsContact O-CB 3.27Å; K653-A657 WeakPolarHBondContact O-CB 3.43Å; K653-A657 PolarHBondContact O-N 2.78Å; K653-A657 VanDerWaalsContact O-N 3.12Å; K653-I675 HydrophobicContact CB-CD1 3.69Å |
| 654 | A | 83.6 | Confident | 83.5 | Confident | 4 Ų | 4 | 83.3 Ų | 83.3 | 3% | 0.033 | 44% | 0.44 | C | S | . | . | H | α-helix | trans | -71.8 | -40 | 176.7 | 0 | 0 | 0 | 0 | 0 | 111.2 | A650 L651 E652 A657 G658 V659 L661 I675 | A650-A654 WeakPolarHBondContact O-CB 3.49Å; A650-A654 PolarHBondContact O-N 3.42Å; A650-A654 VanDerWaalsContact O-N 3.15Å; L651-A654 WeakPolarHBondContact O-CB 3.43Å; L651-A654 PolarHBondContact O-N 2.94Å; L651-A654 VanDerWaalsContact O-N 3.09Å; E652-A654 VanDerWaalsContact C-N 3.33Å; E652-A654 PolarHBondContact O-N 3.07Å; A654-A657 CarbonylContact O-C 3.57Å; A654-A657 PolarHBondContact O-N 3.35Å; A654-G658 PolarHBondContact O-N 3.26Å; A654-G658 VanDerWaalsContact O-N 3.07Å; A654-V659 CarbonylContact C-O 3.55Å; A654-V659 PolarHBondContact O-N 3.39Å; A654-V659 VanDerWaalsContact O-N 3.12Å; A654-L661 HydrophobicContact CB-CB 3.93Å; A654-I675 HydrophobicContact CB-CD1 4.44Å; A654-I675 HydrophobicContact CB-CG1 4.24Å; A654-I675 HydrophobicContact CB-CG2 4.28Å |
| 655 | E | 84.3 | Confident | 83.7 | Confident | 159 Ų | 159 | 79.1 Ų | 79.1 | 74% | 0.743 | 42% | 0.423 | S | S | * | . | H | α-helix | trans | -64.8 | -45.7 | 174.8 | -170.2 | 170.3 | -165.5 | 0 | 0 | 111.6 | L651 E652 A657 G658 | L651-E655 WeakPolarHBondContact O-CB 3.44Å; L651-E655 PolarHBondContact O-N 2.8Å; E652-E655 PolarHBondContact O-N 3.34Å; E655-A657 VanDerWaalsContact C-N 3.25Å; E655-A657 PolarHBondContact O-N 2.77Å; E655-G658 PolarHBondContact O-N 3.21Å |
| 656 | E | 78.9 | Confident | 83.8 | Confident | 166 Ų | 166 | 80.4 Ų | 80.4 | 78% | 0.776 | 43% | 0.432 | S | S | * | . | H | α-helix | trans | -58.6 | -36.6 | 172.9 | -76.6 | 178.8 | 175.4 | 0 | 0 | 112.6 | E652 G658 | E652-E656 WeakPolarHBondContact O-CB 3.49Å; E652-E656 WeakPolarHBondContact O-CG 3.48Å; E652-E656 PolarHBondContact O-N 3.48Å; E656-G658 VanDerWaalsContact C-N 3.29Å |
| 657 | A | 76.2 | Confident | 83.8 | Confident | 59 Ų | 59 | 85.2 Ų | 85.2 | 49% | 0.488 | 45% | 0.453 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -81.3 | -5.6 | 177.4 | 0 | 0 | 0 | 0 | 0 | 113.7 | K653 A654 E655 V659 I675 | K653-A657 VanDerWaalsContact O-CB 3.27Å; K653-A657 WeakPolarHBondContact O-CB 3.43Å; K653-A657 PolarHBondContact O-N 2.78Å; K653-A657 VanDerWaalsContact O-N 3.12Å; A654-A657 CarbonylContact O-C 3.57Å; A654-A657 PolarHBondContact O-N 3.35Å; E655-A657 VanDerWaalsContact C-N 3.25Å; E655-A657 PolarHBondContact O-N 2.77Å; A657-V659 VanDerWaalsContact C-N 3.29Å; A657-V659 HydrophobicContact CB-CG2 3.86Å; A657-V659 PolarHBondContact O-N 3.42Å; A657-I675 HydrophobicContact CB-CG2 3.95Å |
| 658 | G | 82.3 | Confident | 83.4 | Confident | 68 Ų | 68 | 80.8 Ų | 80.8 | 70% | 0.701 | 43% | 0.434 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 62.4 | 29.9 | -178.8 | 0 | 0 | 0 | 0 | 0 | 114.3 | A654 E655 E656 | A654-G658 PolarHBondContact O-N 3.26Å; A654-G658 VanDerWaalsContact O-N 3.07Å; E655-G658 PolarHBondContact O-N 3.21Å; E656-G658 VanDerWaalsContact C-N 3.29Å |
| 659 | V | 86 | Confident | 82.8 | Confident | 47 Ų | 47 | 81.5 Ų | 81.5 | 29% | 0.285 | 45% | 0.446 | S | S | . | . | S | Bend | trans | -139.6 | 170.1 | -177.1 | -64.4 | 0 | 0 | 0 | 0 | 111.8 | A654 A657 I675 D677 | A654-V659 CarbonylContact C-O 3.55Å; A654-V659 PolarHBondContact O-N 3.39Å; A654-V659 VanDerWaalsContact O-N 3.12Å; A657-V659 VanDerWaalsContact C-N 3.29Å; A657-V659 HydrophobicContact CB-CG2 3.86Å; A657-V659 PolarHBondContact O-N 3.42Å; V659-I675 HydrophobicContact CG2-CB 4.49Å; V659-I675 HydrophobicContact CG2-CG2 3.24Å; V659-D677 HydrophobicContact CG1-CB 4.25Å |
| 660 | D | 86.7 | Confident | 82.7 | Confident | 81 Ų | 81 | 80.5 Ų | 80.5 | 43% | 0.433 | 45% | 0.447 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.7 | 146.4 | -177.2 | -49.1 | -77.2 | 0 | 0 | 0 | 112.8 | V662 I675 M676 Y678 | D660-V662 HydrophobicContact CB-CG2 4Å; D660-I675 WeakPolarHBondContact O-CA 3.23Å; D660-M676 WeakPolarHBondContact CB-O 3.34Å; D660-M676 PolarHBondContact N-O 2.87Å; D660-M676 VanDerWaalsContact N-O 3.15Å; D660-M676 PolarHBondContact O-N 2.92Å; D660-Y678 WeakPolarHBondContact OD2-CB 3.2Å; D660-Y678 PolarHBondContact OD2-N 3.16Å |
| 661 | L | 89.3 | Confident | 82.6 | Confident | 44 Ų | 44 | 83 Ų | 83 | 23% | 0.23 | 46% | 0.462 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.8 | 108.7 | 164.2 | -174.8 | 69.1 | 0 | 0 | 0 | 109.2 | L647 A650 L651 A654 C673 I675 | L647-L661 HydrophobicContact CD1-CD2 4.15Å; A650-L661 HydrophobicContact CB-CD1 4.05Å; A650-L661 HydrophobicContact CB-CD2 3.64Å; L651-L661 HydrophobicContact CD2-CB 4.35Å; L651-L661 HydrophobicContact CD2-CD2 3.99Å; L651-L661 HydrophobicContact CG-CD2 4.17Å; A654-L661 HydrophobicContact CB-CB 3.93Å; L661-C673 HydrophobicContact CD1-CB 3.89Å; L661-C673 HydrophobicContact CG-CB 4.29Å; L661-I675 HydrophobicContact CD1-CG1 3.8Å |
| 662 | V | 86.6 | Confident | 82.3 | Confident | 16 Ų | 16 | 81.9 Ų | 81.9 | 10% | 0.097 | 46% | 0.459 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.2 | 120.9 | -174 | -175.3 | 0 | 0 | 0 | 0 | 111.4 | D660 I664 C673 R674 M676 Y678 | D660-V662 HydrophobicContact CB-CG2 4Å; V662-I664 HydrophobicContact CG1-CD1 4.2Å; V662-I664 PolarHBondContact O-N 2.79Å; V662-C673 CarbonylContact O-C 3.49Å; V662-C673 WeakPolarHBondContact O-CA 3.5Å; V662-R674 PolarHBondContact N-O 2.71Å; V662-R674 PolarHBondContact O-N 3.33Å; V662-M676 HydrophobicContact CB-CG 4.02Å; V662-M676 HydrophobicContact CB-SD 4.43Å; V662-M676 HydrophobicContact CG2-CG 3.65Å; V662-M676 HydrophobicContact CG2-SD 4.41Å; V662-Y678 HydrophobicContact CG1-CD2 4.01Å; V662-Y678 HydrophobicContact CG1-CE2 4.27Å; V662-Y678 HydrophobicContact CG2-CD2 3.82Å; V662-Y678 HydrophobicContact CG2-CG 4.38Å |
| 663 | E | 86.4 | Confident | 82.2 | Confident | 127 Ų | 127 | 80.5 Ų | 80.5 | 59% | 0.593 | 46% | 0.458 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -67.7 | 120.6 | 171 | -69.5 | -174.3 | 176.4 | 0 | 0 | 111.5 | ||
| 664 | I | 81.8 | Confident | 82.3 | Confident | 77 Ų | 77 | 84.1 Ų | 84.1 | 40% | 0.395 | 47% | 0.469 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.8 | -41.5 | -179.5 | -57 | -61.2 | 0 | 0 | 0 | 111.4 | V662 V672 R674 M676 | V662-I664 HydrophobicContact CG1-CD1 4.2Å; V662-I664 PolarHBondContact O-N 2.79Å; I664-V672 WeakPolarHBondContact CA-O 3.21Å; I664-V672 PolarHBondContact N-O 3.45Å; I664-R674 HydrophobicContact CD1-CB 4.24Å; I664-R674 HydrophobicContact CG1-CB 3.72Å; I664-M676 HydrophobicContact CD1-CE 4.41Å |
| 665 | S | 78.8 | Confident | 82.3 | Confident | 54 Ų | 54 | 86.2 Ų | 86.2 | 38% | 0.378 | 48% | 0.479 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.2 | 86.4 | 177.8 | -61.8 | 0 | 0 | 0 | 0 | 110.3 | N667 A668 V672 | S665-N667 PolarHBondContact O-N 3.01Å; S665-A668 PolarHBondContact O-N 3.49Å; S665-V672 PolarHBondContact N-O 2.86Å; S665-V672 VanDerWaalsContact N-O 3.12Å; S665-V672 PolarHBondContact O-N 3.42Å |
| 666 | P | 80.1 | Confident | 82 | Confident | 76 Ų | 76 | 80.1 Ų | 80.1 | 49% | 0.494 | 45% | 0.452 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -66.4 | -16.7 | -179.1 | 24.9 | -34.2 | 0 | 0 | 0 | 113.7 | ||
| 667 | N | 84.1 | Confident | 82.2 | Confident | 160 Ų | 160 | 75.8 Ų | 75.8 | 86% | 0.856 | 43% | 0.434 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -97.3 | 8.9 | -179.4 | -57.5 | -40.4 | 0 | 0 | 0 | 113.8 | S665 | S665-N667 PolarHBondContact O-N 3.01Š|
| 668 | A | 78.7 | Confident | 82.5 | Confident | 30 Ų | 30 | 78.3 Ų | 78.3 | 25% | 0.248 | 43% | 0.431 | C | S | . | . | S | Bend | trans | -86.3 | 153 | 171.1 | 0 | 0 | 0 | 0 | 0 | 109.4 | S665 P670 P671 V672 | S665-A668 PolarHBondContact O-N 3.49Å; A668-P670 VanDerWaalsContact C-C 3.4Å; A668-P670 CarbonylContact C-O 3.49Å; A668-P670 VanDerWaalsContact C-O 3.24Å; A668-P670 WeakPolarHBondContact CB-O 3.39Å; A668-P670 CarbonylContact O-C 3.51Å; A668-P671 WeakPolarHBondContact O-CA 3.33Å; A668-V672 HydrophobicContact CB-CG2 3.86Å |
| 669 | E | 76.4 | Confident | 82.4 | Confident | 198 Ų | 198 | 77.1 Ų | 77.1 | 93% | 0.925 | 42% | 0.419 | S | S | * | . | S | Bend | trans | -118.5 | 106.4 | 175.3 | -76.7 | 177.4 | -177.3 | 0 | 0 | 109.1 | ||
| 670 | P | 79.1 | Confident | 82.1 | Confident | 68 Ų | 68 | 80.9 Ų | 80.9 | 44% | 0.442 | 43% | 0.431 | S | S | . | . | S | Bend | cis | -71.1 | 161.9 | -7 | 30.7 | -34.2 | 0 | 0 | 0 | 113.2 | I644 A668 | I644-P670 HydrophobicContact CD1-CG 3.89Å; I644-P670 HydrophobicContact CG1-CG 3.84Å; I644-P670 HydrophobicContact CG2-CG 3.98Å; A668-P670 VanDerWaalsContact C-C 3.4Å; A668-P670 CarbonylContact C-O 3.49Å; A668-P670 VanDerWaalsContact C-O 3.24Å; A668-P670 WeakPolarHBondContact CB-O 3.39Å; A668-P670 CarbonylContact O-C 3.51Å |
| 671 | P | 81.7 | Confident | 81.5 | Confident | 66 Ų | 66 | 80 Ų | 80 | 43% | 0.429 | 42% | 0.424 | S | S | . | . | trans | -55.1 | 138.9 | 177.1 | -27 | 35 | 0 | 0 | 0 | 112.1 | A668 C673 | A668-P671 WeakPolarHBondContact O-CA 3.33Å; P671-C673 PolarHBondContact O-N 3.34Å | ||
| 672 | V | 82.1 | Confident | 81.1 | Confident | 65 Ų | 65 | 81.6 Ų | 81.6 | 39% | 0.394 | 43% | 0.432 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89 | 111.3 | 178 | -177.4 | 0 | 0 | 0 | 0 | 109.4 | I664 S665 A668 | I664-V672 WeakPolarHBondContact CA-O 3.21Å; I664-V672 PolarHBondContact N-O 3.45Å; S665-V672 PolarHBondContact N-O 2.86Å; S665-V672 VanDerWaalsContact N-O 3.12Å; S665-V672 PolarHBondContact O-N 3.42Å; A668-V672 HydrophobicContact CB-CG2 3.86Å |
| 673 | C | 83.5 | Confident | 80.8 | Confident | 53 Ų | 53 | 88 Ų | 88 | 36% | 0.358 | 46% | 0.456 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.6 | 160.1 | 175.3 | -59.3 | 0 | 0 | 0 | 0 | 111.5 | L661 V662 P671 | L661-C673 HydrophobicContact CD1-CB 3.89Å; L661-C673 HydrophobicContact CG-CB 4.29Å; V662-C673 CarbonylContact O-C 3.49Å; V662-C673 WeakPolarHBondContact O-CA 3.5Å; P671-C673 PolarHBondContact O-N 3.34Å |
| 674 | R | 81.7 | Confident | 80.3 | Confident | 148 Ų | 148 | 87.1 Ų | 87.1 | 56% | 0.558 | 45% | 0.452 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -143.5 | 129 | 175.7 | -167.8 | 164.5 | 177.9 | 178.1 | 16 | 110.6 | V662 I664 M676 | V662-R674 PolarHBondContact N-O 2.71Å; V662-R674 PolarHBondContact O-N 3.33Å; I664-R674 HydrophobicContact CD1-CB 4.24Å; I664-R674 HydrophobicContact CG1-CB 3.72Å; R674-M676 HydrophobicContact CB-CE 4.06Å; R674-M676 HydrophobicContact CG-CE 3.64Å; R674-M676 PolarHBondContact O-N 3.27Å |
| 675 | I | 82.6 | Confident | 79.9 | Confident | 48 Ų | 48 | 89.3 Ų | 89.3 | 25% | 0.246 | 46% | 0.458 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.8 | 111.7 | 174.1 | -61.6 | 179.4 | 0 | 0 | 0 | 107.9 | L642 K653 A654 A657 V659 D660 L661 | L642-I675 HydrophobicContact CD1-CD1 3.62Å; K653-I675 HydrophobicContact CB-CD1 3.69Å; A654-I675 HydrophobicContact CB-CD1 4.44Å; A654-I675 HydrophobicContact CB-CG1 4.24Å; A654-I675 HydrophobicContact CB-CG2 4.28Å; A657-I675 HydrophobicContact CB-CG2 3.95Å; V659-I675 HydrophobicContact CG2-CB 4.49Å; V659-I675 HydrophobicContact CG2-CG2 3.24Å; D660-I675 WeakPolarHBondContact O-CA 3.23Å; L661-I675 HydrophobicContact CD1-CG1 3.8Å |
| 676 | M | 79.1 | Confident | 79.8 | Confident | 32 Ų | 32 | 89.1 Ų | 89.1 | 16% | 0.158 | 46% | 0.457 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -162 | 152.4 | -178.2 | 64.3 | 170.7 | 53.7 | 0 | 0 | 113.1 | D660 V662 I664 R674 Y678 F681 | D660-M676 WeakPolarHBondContact CB-O 3.34Å; D660-M676 PolarHBondContact N-O 2.87Å; D660-M676 VanDerWaalsContact N-O 3.15Å; D660-M676 PolarHBondContact O-N 2.92Å; V662-M676 HydrophobicContact CB-CG 4.02Å; V662-M676 HydrophobicContact CB-SD 4.43Å; V662-M676 HydrophobicContact CG2-CG 3.65Å; V662-M676 HydrophobicContact CG2-SD 4.41Å; I664-M676 HydrophobicContact CD1-CE 4.41Å; R674-M676 HydrophobicContact CB-CE 4.06Å; R674-M676 HydrophobicContact CG-CE 3.64Å; R674-M676 PolarHBondContact O-N 3.27Å; M676-Y678 PolarHBondContact O-N 3.09Å; M676-Y678 VanDerWaalsContact O-N 3.1Å; M676-F681 HydrophobicContact CE-CD2 4.48Å; M676-F681 HydrophobicContact SD-CB 3.8Å; M676-F681 HydrophobicContact SD-CD1 4.36Å; M676-F681 HydrophobicContact SD-CD2 3.72Å; M676-F681 HydrophobicContact SD-CE2 4.38Å; M676-F681 HydrophobicContact SD-CG 3.7Å |
| 677 | D | 83 | Confident | 79.6 | Confident | 75 Ų | 75 | 90.8 Ų | 90.8 | 40% | 0.401 | 46% | 0.457 | S | S | . | . | trans | -64.8 | 108.5 | 169.3 | 175 | -19.6 | 0 | 0 | 0 | 110.1 | V659 G679 K680 F681 | V659-D677 HydrophobicContact CG1-CB 4.25Å; D677-G679 VanDerWaalsContact C-N 3.32Å; D677-G679 PolarHBondContact O-N 3.16Å; D677-G679 WeakPolarHBondContact OD1-CA 3.22Å; D677-G679 PolarHBondContact OD1-N 3.34Å; D677-K680 HydrophobicContact CB-CB 3.95Å; D677-K680 VanDerWaalsContact CG-CB 3.49Å; D677-K680 PolarHBondContact O-N 3.03Å; D677-K680 PolarHBondContact OD1-N 3.44Å; D677-K680 WeakPolarHBondContact OD2-CB 3.32Å; D677-F681 WeakPolarHBondContact O-CB 3.34Å; D677-F681 PolarHBondContact O-N 3.33Å | ||
| 678 | Y | 82.7 | Confident | 79 | Confident | 112 Ų | 112 | 86 Ų | 86 | 44% | 0.439 | 44% | 0.436 | S | S | . | . | H | α-helix | trans | -66 | -35.6 | -176.6 | -175.4 | -113.9 | 0 | 0 | 0 | 111.9 | D660 V662 M676 F681 L682 | D660-Y678 WeakPolarHBondContact OD2-CB 3.2Å; D660-Y678 PolarHBondContact OD2-N 3.16Å; V662-Y678 HydrophobicContact CG1-CD2 4.01Å; V662-Y678 HydrophobicContact CG1-CE2 4.27Å; V662-Y678 HydrophobicContact CG2-CD2 3.82Å; V662-Y678 HydrophobicContact CG2-CG 4.38Å; M676-Y678 PolarHBondContact O-N 3.09Å; M676-Y678 VanDerWaalsContact O-N 3.1Å; Y678-F681 HydrophobicContact CD2-CD1 4.45Å; Y678-F681 PolarHBondContact O-N 3.19Å; Y678-L682 HydrophobicContact CD1-CD1 3.9Å; Y678-L682 HydrophobicContact CD1-CG 4.37Å; Y678-L682 HydrophobicContact CE1-CD1 3.46Å; Y678-L682 VanDerWaalsContact CE1-CD1 3.46Å; Y678-L682 HydrophobicContact CE1-CG 4.05Å; Y678-L682 HydrophobicContact CE2-CD2 4.48Å; Y678-L682 HydrophobicContact CE2-CG 4.37Å; Y678-L682 WeakPolarHBondContact O-CB 3.41Å; Y678-L682 WeakPolarHBondContact O-CG 3.31Å; Y678-L682 PolarHBondContact O-N 2.84Å |
| 679 | G | 80.4 | Confident | 78.5 | Confident | 43 Ų | 43 | 87.2 Ų | 87.2 | 44% | 0.443 | 44% | 0.442 | S | S | . | . | H | α-helix | trans | -63.4 | -47.5 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112 | D677 L682 Y683 | D677-G679 VanDerWaalsContact C-N 3.32Å; D677-G679 PolarHBondContact O-N 3.16Å; D677-G679 WeakPolarHBondContact OD1-CA 3.22Å; D677-G679 PolarHBondContact OD1-N 3.34Å; G679-L682 PolarHBondContact O-N 3.49Å; G679-Y683 PolarHBondContact O-N 3.49Å |
| 680 | K | 78.3 | Confident | 78.3 | Confident | 125 Ų | 125 | 83.7 Ų | 83.7 | 54% | 0.543 | 42% | 0.424 | S | S | . | . | H | α-helix | trans | -64.4 | -40.8 | 175.1 | -173.7 | 176.2 | -178.2 | 175.8 | 0 | 111.7 | D677 Y683 E684 | D677-K680 HydrophobicContact CB-CB 3.95Å; D677-K680 VanDerWaalsContact CG-CB 3.49Å; D677-K680 PolarHBondContact O-N 3.03Å; D677-K680 PolarHBondContact OD1-N 3.44Å; D677-K680 WeakPolarHBondContact OD2-CB 3.32Å; K680-Y683 WeakPolarHBondContact O-CB 3.4Å; K680-Y683 PolarHBondContact O-N 2.99Å; K680-E684 WeakPolarHBondContact O-CG 3.39Å; K680-E684 PolarHBondContact O-N 2.94Å |
| 681 | F | 76.1 | Confident | 77.8 | Confident | 64 Ų | 64 | 84.8 Ų | 84.8 | 28% | 0.281 | 42% | 0.423 | S | S | . | . | H | α-helix | trans | -60.7 | -45.4 | 175.1 | 174.1 | -105.6 | 0 | 0 | 0 | 112.1 | M676 D677 Y678 Y683 E684 K685 | M676-F681 HydrophobicContact CE-CD2 4.48Å; M676-F681 HydrophobicContact SD-CB 3.8Å; M676-F681 HydrophobicContact SD-CD1 4.36Å; M676-F681 HydrophobicContact SD-CD2 3.72Å; M676-F681 HydrophobicContact SD-CE2 4.38Å; M676-F681 HydrophobicContact SD-CG 3.7Å; D677-F681 WeakPolarHBondContact O-CB 3.34Å; D677-F681 PolarHBondContact O-N 3.33Å; Y678-F681 HydrophobicContact CD2-CD1 4.45Å; Y678-F681 PolarHBondContact O-N 3.19Å; F681-Y683 VanDerWaalsContact C-N 3.31Å; F681-Y683 PolarHBondContact O-N 3.03Å; F681-E684 PolarHBondContact O-N 3.27Å; F681-K685 HydrophobicContact CE1-CD 4.22Å; F681-K685 HydrophobicContact CZ-CD 4.31Å; F681-K685 VanDerWaalsContact O-CB 3.27Å; F681-K685 WeakPolarHBondContact O-CB 3.4Å; F681-K685 PolarHBondContact O-N 3.44Å |
| 682 | L | 80.9 | Confident | 76.8 | Confident | 76 Ų | 76 | 88 Ų | 88 | 40% | 0.398 | 43% | 0.433 | S | S | . | . | H | α-helix | trans | -61.6 | -39.6 | 174.2 | -74.4 | 178.5 | 0 | 0 | 0 | 111.7 | Y678 G679 K685 S686 | Y678-L682 HydrophobicContact CD1-CD1 3.9Å; Y678-L682 HydrophobicContact CD1-CG 4.37Å; Y678-L682 HydrophobicContact CE1-CD1 3.46Å; Y678-L682 VanDerWaalsContact CE1-CD1 3.46Å; Y678-L682 HydrophobicContact CE1-CG 4.05Å; Y678-L682 HydrophobicContact CE2-CD2 4.48Å; Y678-L682 HydrophobicContact CE2-CG 4.37Å; Y678-L682 WeakPolarHBondContact O-CB 3.41Å; Y678-L682 WeakPolarHBondContact O-CG 3.31Å; Y678-L682 PolarHBondContact O-N 2.84Å; G679-L682 PolarHBondContact O-N 3.49Å; L682-K685 PolarHBondContact O-N 3.22Å; L682-S686 WeakPolarHBondContact O-CB 3.19Å; L682-S686 PolarHBondContact O-N 3.15Å |
| 683 | Y | 78.9 | Confident | 75.7 | Confident | 152 Ų | 152 | 92 Ų | 92 | 60% | 0.596 | 44% | 0.444 | S | S | * | . | H | α-helix | trans | -64.5 | -45.7 | 175.9 | -179.9 | -104.3 | 0 | 0 | 0 | 112.3 | G679 K680 F681 S686 K687 | G679-Y683 PolarHBondContact O-N 3.49Å; K680-Y683 WeakPolarHBondContact O-CB 3.4Å; K680-Y683 PolarHBondContact O-N 2.99Å; F681-Y683 VanDerWaalsContact C-N 3.31Å; F681-Y683 PolarHBondContact O-N 3.03Å; Y683-S686 CarbonylContact O-C 3.58Å; Y683-S686 WeakPolarHBondContact O-CB 3.41Å; Y683-S686 PolarHBondContact O-N 2.84Å; Y683-K687 WeakPolarHBondContact O-CB 3.33Å; Y683-K687 PolarHBondContact O-N 3.28Å |
| 684 | E | 75.9 | Confident | 74.3 | Confident | 108 Ų | 108 | 98 Ų | 98 | 51% | 0.505 | 46% | 0.464 | S | S | . | . | H | α-helix | trans | -64.4 | -41.8 | 176.2 | -74.6 | -176.8 | -179.5 | 0 | 0 | 111.9 | K680 F681 S686 K687 S688 | K680-E684 WeakPolarHBondContact O-CG 3.39Å; K680-E684 PolarHBondContact O-N 2.94Å; F681-E684 PolarHBondContact O-N 3.27Å; E684-S686 VanDerWaalsContact C-N 3.32Å; E684-S686 PolarHBondContact O-N 3.15Å; E684-K687 PolarHBondContact O-N 2.88Å; E684-S688 VanDerWaalsContact O-CB 3.3Å; E684-S688 WeakPolarHBondContact O-CB 3.25Å; E684-S688 PolarHBondContact O-N 2.86Å |
| 685 | K | 74.3 | Confident | 72.6 | Confident | 122 Ų | 122 | 99.2 Ų | 99.2 | 53% | 0.53 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -63.7 | -38.6 | 174.5 | -165.1 | 178.4 | -175.6 | 178.3 | 0 | 111.2 | F681 L682 S689 | F681-K685 HydrophobicContact CE1-CD 4.22Å; F681-K685 HydrophobicContact CZ-CD 4.31Å; F681-K685 VanDerWaalsContact O-CB 3.27Å; F681-K685 WeakPolarHBondContact O-CB 3.4Å; F681-K685 PolarHBondContact O-N 3.44Å; L682-K685 PolarHBondContact O-N 3.22Å; K685-S689 VanDerWaalsContact O-CB 3.26Å; K685-S689 WeakPolarHBondContact O-CB 3.39Å; K685-S689 PolarHBondContact O-N 2.89Å; K685-S689 PolarHBondContact O-OG 2.99Å |
| 686 | S | 75.8 | Confident | 70.7 | Confident | 50 Ų | 50 | 103.4 Ų | 103.4 | 35% | 0.35 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -65.8 | -44.7 | 172.5 | 179.6 | 0 | 0 | 0 | 0 | 111.7 | L682 Y683 E684 S689 K690 | L682-S686 WeakPolarHBondContact O-CB 3.19Å; L682-S686 PolarHBondContact O-N 3.15Å; Y683-S686 CarbonylContact O-C 3.58Å; Y683-S686 WeakPolarHBondContact O-CB 3.41Å; Y683-S686 PolarHBondContact O-N 2.84Å; E684-S686 VanDerWaalsContact C-N 3.32Å; E684-S686 PolarHBondContact O-N 3.15Å; S686-S689 CarbonylContact O-C 3.55Å; S686-S689 WeakPolarHBondContact O-CB 3.38Å; S686-S689 PolarHBondContact O-N 2.92Å; S686-K690 WeakPolarHBondContact O-CB 3.4Å; S686-K690 VanDerWaalsContact O-CG 3.28Å; S686-K690 WeakPolarHBondContact O-CG 3.05Å; S686-K690 PolarHBondContact O-N 2.88Å |
| 687 | K | 77.4 | Confident | 69.2 | Low | 112 Ų | 112 | 109.1 Ų | 109.1 | 49% | 0.487 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -62.8 | -45.1 | 176.1 | -172.4 | -178.4 | 176.9 | -175.5 | 0 | 111.4 | Y683 E684 K690 E691 | Y683-K687 WeakPolarHBondContact O-CB 3.33Å; Y683-K687 PolarHBondContact O-N 3.28Å; E684-K687 PolarHBondContact O-N 2.88Å; K687-K690 CarbonylContact O-C 3.53Å; K687-K690 WeakPolarHBondContact O-CB 3.4Å; K687-K690 PolarHBondContact O-N 2.93Å; K687-E691 PolarHBondContact O-N 2.89Å |
| 688 | S | 69.9 | Low | 67.8 | Low | 60 Ų | 60 | 110.8 Ų | 110.8 | 42% | 0.42 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -63.6 | -40.2 | 174.6 | -170.8 | 0 | 0 | 0 | 0 | 111.6 | E684 E691 Q692 | E684-S688 VanDerWaalsContact O-CB 3.3Å; E684-S688 WeakPolarHBondContact O-CB 3.25Å; E684-S688 PolarHBondContact O-N 2.86Å; S688-E691 PolarHBondContact O-N 2.94Å; S688-Q692 WeakPolarHBondContact O-CB 3.37Å; S688-Q692 WeakPolarHBondContact O-CG 3.37Å; S688-Q692 PolarHBondContact O-N 3.44Å |
| 689 | S | 68.2 | Low | 66.7 | Low | 55 Ų | 55 | 110.5 Ų | 110.5 | 39% | 0.385 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -64.2 | -39.6 | 172.3 | -60.6 | 0 | 0 | 0 | 0 | 111.9 | K685 S686 Q692 K693 | K685-S689 VanDerWaalsContact O-CB 3.26Å; K685-S689 WeakPolarHBondContact O-CB 3.39Å; K685-S689 PolarHBondContact O-N 2.89Å; K685-S689 PolarHBondContact O-OG 2.99Å; S686-S689 CarbonylContact O-C 3.55Å; S686-S689 WeakPolarHBondContact O-CB 3.38Å; S686-S689 PolarHBondContact O-N 2.92Å; S689-Q692 PolarHBondContact O-N 2.89Å; S689-K693 WeakPolarHBondContact O-CB 3.49Å; S689-K693 VanDerWaalsContact O-CG 3.28Å; S689-K693 WeakPolarHBondContact O-CG 3.3Å; S689-K693 PolarHBondContact O-N 2.9Å |
| 690 | K | 72.9 | Confident | 66.1 | Low | 123 Ų | 123 | 113.1 Ų | 113.1 | 54% | 0.535 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -65.5 | -39.9 | 173.3 | -74 | 173.3 | -175.8 | 178.7 | 0 | 111.4 | S686 K687 K693 K694 | S686-K690 WeakPolarHBondContact O-CB 3.4Å; S686-K690 VanDerWaalsContact O-CG 3.28Å; S686-K690 WeakPolarHBondContact O-CG 3.05Å; S686-K690 PolarHBondContact O-N 2.88Å; K687-K690 CarbonylContact O-C 3.53Å; K687-K690 WeakPolarHBondContact O-CB 3.4Å; K687-K690 PolarHBondContact O-N 2.93Å; K690-K693 WeakPolarHBondContact O-CB 3.49Å; K690-K693 PolarHBondContact O-N 2.93Å; K690-K694 WeakPolarHBondContact O-CG 3.19Å; K690-K694 PolarHBondContact O-N 2.8Å |
| 691 | E | 69.3 | Low | 66.2 | Low | 91 Ų | 91 | 111.4 Ų | 111.4 | 43% | 0.425 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -69 | -38.7 | 174.4 | -78.1 | -175.6 | -174.8 | 0 | 0 | 112.9 | K687 S688 K693 K694 K695 | K687-E691 PolarHBondContact O-N 2.89Å; S688-E691 PolarHBondContact O-N 2.94Å; E691-K693 VanDerWaalsContact C-N 3.33Å; E691-K694 CarbonylContact O-C 3.58Å; E691-K694 WeakPolarHBondContact O-CB 3.27Å; E691-K694 PolarHBondContact O-N 3.22Å; E691-K695 WeakPolarHBondContact O-CG 3.33Å; E691-K695 PolarHBondContact O-N 3.41Å |
| 692 | Q | 60 | Low | 66.6 | Low | 135 Ų | 135 | 111.2 Ų | 111.2 | 63% | 0.631 | 53% | 0.533 | S | S | * | . | H | α-helix | trans | -63.1 | -40.9 | 170.7 | -79 | -174.1 | 6.5 | 0 | 0 | 111.1 | S688 S689 K694 K695 Q696 | S688-Q692 WeakPolarHBondContact O-CB 3.37Å; S688-Q692 WeakPolarHBondContact O-CG 3.37Å; S688-Q692 PolarHBondContact O-N 3.44Å; S689-Q692 PolarHBondContact O-N 2.89Å; Q692-K694 VanDerWaalsContact C-N 3.33Å; Q692-K694 PolarHBondContact O-N 3.13Å; Q692-K695 CarbonylContact O-C 3.55Å; Q692-K695 PolarHBondContact O-N 3.37Å; Q692-Q696 PolarHBondContact O-N 3.04Å |
| 693 | K | 59 | Low | 67 | Low | 147 Ų | 147 | 111.6 Ų | 111.6 | 64% | 0.639 | 53% | 0.533 | S | S | * | . | H | α-helix | trans | -61.4 | -38.5 | 170.7 | -75.6 | 178.8 | -177.9 | -175.6 | 0 | 111.8 | S689 K690 E691 Q696 | S689-K693 WeakPolarHBondContact O-CB 3.49Å; S689-K693 VanDerWaalsContact O-CG 3.28Å; S689-K693 WeakPolarHBondContact O-CG 3.3Å; S689-K693 PolarHBondContact O-N 2.9Å; K690-K693 WeakPolarHBondContact O-CB 3.49Å; K690-K693 PolarHBondContact O-N 2.93Å; E691-K693 VanDerWaalsContact C-N 3.33Å; K693-Q696 VanDerWaalsContact O-CB 3.27Å; K693-Q696 WeakPolarHBondContact O-CB 3.43Å; K693-Q696 PolarHBondContact O-N 2.93Å |
| 694 | K | 54.1 | Low | 67.6 | Low | 180 Ų | 180 | 105 Ų | 105 | 78% | 0.783 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -65.2 | -34 | 172.7 | -75.4 | 179.9 | 177.9 | -177.1 | 0 | 113 | K690 E691 Q692 Q696 | K690-K694 WeakPolarHBondContact O-CG 3.19Å; K690-K694 PolarHBondContact O-N 2.8Å; E691-K694 CarbonylContact O-C 3.58Å; E691-K694 WeakPolarHBondContact O-CB 3.27Å; E691-K694 PolarHBondContact O-N 3.22Å; Q692-K694 VanDerWaalsContact C-N 3.33Å; Q692-K694 PolarHBondContact O-N 3.13Å; K694-Q696 VanDerWaalsContact C-N 3.33Å |
| 695 | K | 46.8 | Very low | 68.3 | Low | 173 Ų | 173 | 105.7 Ų | 105.7 | 75% | 0.752 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -81.6 | -10.1 | 175.6 | -71.4 | 176.1 | -177.9 | 169.3 | 0 | 113.2 | E691 Q692 K697 | E691-K695 WeakPolarHBondContact O-CG 3.33Å; E691-K695 PolarHBondContact O-N 3.41Å; Q692-K695 CarbonylContact O-C 3.55Å; Q692-K695 PolarHBondContact O-N 3.37Å; K695-K697 PolarHBondContact O-N 2.82Å |
| 696 | Q | 41.4 | Very low | 69 | Low | 136 Ų | 136 | 100 Ų | 100 | 64% | 0.636 | 49% | 0.485 | S | S | * | . | S | Bend | trans | -70.9 | 116.9 | 173.5 | -154.9 | 169.9 | 11.6 | 0 | 0 | 107.8 | Q692 K693 K694 V698 | Q692-Q696 PolarHBondContact O-N 3.04Å; K693-Q696 VanDerWaalsContact O-CB 3.27Å; K693-Q696 WeakPolarHBondContact O-CB 3.43Å; K693-Q696 PolarHBondContact O-N 2.93Å; K694-Q696 VanDerWaalsContact C-N 3.33Å; Q696-V698 PolarHBondContact O-N 2.86Å |
| 697 | K | 48.3 | Very low | 69.5 | Low | 152 Ų | 152 | 102.9 Ų | 102.9 | 66% | 0.661 | 49% | 0.488 | S | S | * | . | trans | -57.4 | 109.2 | 179.1 | -165.9 | -176.2 | -174 | -171.4 | 0 | 108.1 | K695 I699 E728 | K695-K697 PolarHBondContact O-N 2.82Å; K697-I699 PolarHBondContact O-N 2.86Å; K697-E728 PolarHBondContact NZ-O 3.23Å | ||
| 698 | V | 53.9 | Low | 69.8 | Low | 110 Ų | 110 | 98.5 Ų | 98.5 | 67% | 0.667 | 47% | 0.471 | S | S | * | . | trans | -61.2 | 110 | 176.1 | -179.8 | 0 | 0 | 0 | 0 | 106.8 | Q696 Q700 | Q696-V698 PolarHBondContact O-N 2.86Å; V698-Q700 PolarHBondContact O-N 3.4Å; V698-Q700 VanDerWaalsContact O-N 3.07Å | ||
| 699 | I | 58.6 | Low | 70.4 | Confident | 107 Ų | 107 | 99 Ų | 99 | 55% | 0.549 | 49% | 0.485 | S | S | . | . | trans | -65.6 | 108.3 | 173.4 | -61.5 | 172.7 | 0 | 0 | 0 | 105.9 | K697 K731 | K697-I699 PolarHBondContact O-N 2.86Å; I699-K731 HydrophobicContact CG2-CB 4.46Å; I699-K731 HydrophobicContact CG2-CD 4.38Å; I699-K731 HydrophobicContact CG2-CG 3.89Å | ||
| 700 | Q | 67.4 | Low | 71.1 | Confident | 97 Ų | 97 | 97.5 Ų | 97.5 | 45% | 0.453 | 47% | 0.474 | S | S | . | . | trans | -83.7 | 140.4 | 176.6 | -65.7 | -173 | -5.6 | 0 | 0 | 108.8 | V698 D730 K731 | V698-Q700 PolarHBondContact O-N 3.4Å; V698-Q700 VanDerWaalsContact O-N 3.07Å; Q700-D730 PolarHBondContact N-OD1 2.89Å; Q700-D730 WeakPolarHBondContact O-CB 3.4Å; Q700-K731 PolarHBondContact O-N 3.01Å | ||
| 701 | V | 80.6 | Confident | 71.7 | Confident | 90 Ų | 90 | 97.5 Ų | 97.5 | 55% | 0.545 | 48% | 0.48 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.6 | 108 | 167.9 | -178.4 | 0 | 0 | 0 | 0 | 106.9 | K731 K733 | V701-K731 CarbonylContact C-O 3.44Å; V701-K731 WeakPolarHBondContact CA-O 3.32Å; V701-K731 HydrophobicContact CG2-CB 4.14Å; V701-K731 HydrophobicContact CG2-CD 4.45Å; V701-K733 HydrophobicContact CG1-CB 3.83Å |
| 702 | K | 85 | Confident | 72.5 | Confident | 59 Ų | 59 | 97.1 Ų | 97.1 | 26% | 0.257 | 48% | 0.478 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.9 | 130 | 177.2 | -61.1 | -63.5 | -168.2 | -176.5 | 0 | 109.6 | F725 D730 K731 A732 K733 | K702-F725 HydrophobicContact CB-CB 4.3Å; K702-F725 HydrophobicContact CB-CD1 4.33Å; K702-F725 HydrophobicContact CB-CD2 3.57Å; K702-F725 HydrophobicContact CB-CE2 3.86Å; K702-F725 HydrophobicContact CB-CG 3.84Å; K702-F725 HydrophobicContact CB-CZ 4.37Å; K702-F725 HydrophobicContact CD-CD1 4.46Å; K702-F725 HydrophobicContact CD-CE1 4.41Å; K702-F725 HydrophobicContact CG-CB 4.19Å; K702-F725 HydrophobicContact CG-CD1 3.88Å; K702-F725 HydrophobicContact CG-CD2 4.05Å; K702-F725 HydrophobicContact CG-CE1 4.24Å; K702-F725 HydrophobicContact CG-CE2 4.38Å; K702-F725 HydrophobicContact CG-CG 3.79Å; K702-F725 HydrophobicContact CG-CZ 4.48Å; K702-D730 WeakPolarHBondContact CE-OD2 3.43Å; K702-D730 HydrophobicContact CG-CB 4.02Å; K702-K731 PolarHBondContact N-O 2.88Å; K702-A732 CarbonylContact O-C 3.55Å; K702-A732 VanDerWaalsContact O-CA 3.27Å; K702-A732 WeakPolarHBondContact O-CA 3.46Å; K702-K733 PolarHBondContact O-N 3.03Å |
| 703 | E | 90.2 | Very high | 73.6 | Confident | 84 Ų | 84 | 92.7 Ų | 92.7 | 39% | 0.393 | 47% | 0.469 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.2 | 135 | 178.2 | -168.2 | -176.9 | -157.6 | 0 | 0 | 111.4 | K705 K733 T735 | E703-K705 HydrophobicContact CG-CG 4.45Å; E703-K705 WeakPolarHBondContact OE1-CE 3.43Å; E703-K705 WeakPolarHBondContact OE2-CE 3.46Å; E703-K705 IonicContact OE2-NZ 3.17Å; E703-K705 PolarHBondContact OE2-NZ 3.08Å; E703-K733 CarbonylContact C-O 3.57Å; E703-K733 VanDerWaalsContact CA-O 3.25Å; E703-K733 WeakPolarHBondContact CA-O 3.29Å; E703-K733 HydrophobicContact CG-CB 4.43Å; E703-K733 HydrophobicContact CG-CD 4.33Å; E703-K733 HydrophobicContact CG-CG 4.41Å; E703-T735 WeakPolarHBondContact OE1-CB 3.38Å; E703-T735 PolarHBondContact OE1-OG1 2.91Å |
| 704 | I | 89.8 | Confident | 75 | Confident | 13 Ų | 13 | 89 Ų | 89 | 7% | 0.067 | 46% | 0.456 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.8 | 131.8 | 169.4 | -65.2 | -168.4 | 0 | 0 | 0 | 109.2 | F706 K718 L722 F725 K733 I734 T735 | I704-F706 HydrophobicContact CG2-CD2 4.17Å; I704-F706 HydrophobicContact CG2-CE2 3.65Å; I704-F706 HydrophobicContact CG2-CZ 4.3Å; I704-K718 WeakPolarHBondContact CD1-O 3.42Å; I704-K718 HydrophobicContact CG2-CB 3.88Å; I704-K718 HydrophobicContact CG2-CD 4.34Å; I704-K718 HydrophobicContact CG2-CG 4.02Å; I704-L722 HydrophobicContact CB-CD1 4.3Å; I704-L722 HydrophobicContact CD1-CB 3.67Å; I704-L722 HydrophobicContact CD1-CD1 3.89Å; I704-L722 HydrophobicContact CD1-CG 4.22Å; I704-L722 HydrophobicContact CG1-CD1 4.36Å; I704-F725 HydrophobicContact CD1-CD2 3.96Å; I704-F725 HydrophobicContact CD1-CE2 3.75Å; I704-F725 HydrophobicContact CG1-CD2 4.31Å; I704-F725 HydrophobicContact CG1-CE2 3.91Å; I704-K733 PolarHBondContact N-O 3.34Å; I704-I734 WeakPolarHBondContact O-CA 3.39Å; I704-T735 PolarHBondContact O-N 3.12Å |
| 705 | K | 90.6 | Very high | 76.7 | Confident | 124 Ų | 124 | 80.6 Ų | 80.6 | 54% | 0.539 | 42% | 0.419 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.4 | 125.2 | -174.4 | -63.1 | 179.9 | -178.2 | 173 | 0 | 111.9 | E703 K718 T735 | E703-K705 HydrophobicContact CG-CG 4.45Å; E703-K705 WeakPolarHBondContact OE1-CE 3.43Å; E703-K705 WeakPolarHBondContact OE2-CE 3.46Å; E703-K705 IonicContact OE2-NZ 3.17Å; E703-K705 PolarHBondContact OE2-NZ 3.08Å; K705-K718 WeakPolarHBondContact O-CD 3.28Å; K705-K718 WeakPolarHBondContact O-CE 3.17Å; K705-K718 PolarHBondContact O-NZ 2.96Å; K705-T735 CarbonylContact C-O 3.53Å; K705-T735 WeakPolarHBondContact CA-O 3.23Å |
| 706 | F | 89 | Confident | 78.6 | Confident | 2 Ų | 2 | 75.6 Ų | 75.6 | 1% | 0.009 | 40% | 0.398 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.8 | 160.7 | 172.3 | -72.5 | -95.7 | 0 | 0 | 0 | 111.1 | I704 T710 Y715 K718 I734 T735 L736 R737 V752 V756 | I704-F706 HydrophobicContact CG2-CD2 4.17Å; I704-F706 HydrophobicContact CG2-CE2 3.65Å; I704-F706 HydrophobicContact CG2-CZ 4.3Å; F706-T710 HydrophobicContact CD1-CG2 4.42Å; F706-Y715 HydrophobicContact CD1-CD2 4.18Å; F706-Y715 HydrophobicContact CD1-CE2 4.49Å; F706-Y715 AromaticContact CE1-CD2 3.62Å; F706-Y715 HydrophobicContact CE1-CD2 3.62Å; F706-Y715 AromaticContact CE1-CE2 3.84Å; F706-Y715 HydrophobicContact CE1-CE2 3.84Å; F706-Y715 HydrophobicContact CE1-CG 4.48Å; F706-K718 HydrophobicContact CD1-CD 4.14Å; F706-K718 HydrophobicContact CE1-CB 3.95Å; F706-K718 HydrophobicContact CE1-CD 4.04Å; F706-K718 HydrophobicContact CE2-CB 4.38Å; F706-K718 HydrophobicContact CZ-CB 3.71Å; F706-K718 HydrophobicContact CZ-CD 4.33Å; F706-I734 HydrophobicContact CD2-CG2 3.49Å; F706-I734 VanDerWaalsContact CD2-CG2 3.49Å; F706-I734 HydrophobicContact CE2-CG2 3.7Å; F706-T735 PolarHBondContact N-O 2.83Å; F706-L736 HydrophobicContact CB-CB 4.45Å; F706-L736 HydrophobicContact CB-CD1 4.14Å; F706-L736 HydrophobicContact CB-CG 4.4Å; F706-L736 WeakPolarHBondContact O-CA 3.39Å; F706-R737 PolarHBondContact O-N 3.33Å; F706-R737 VanDerWaalsContact O-N 3.11Å; F706-V752 HydrophobicContact CB-CG1 4.17Å; F706-V752 HydrophobicContact CD1-CG1 4Å; F706-V752 HydrophobicContact CG-CG1 4.27Å; F706-V756 HydrophobicContact CE1-CG2 3.99Å; F706-V756 HydrophobicContact CE2-CG2 4.11Å; F706-V756 HydrophobicContact CZ-CG2 3.72Å |
| 707 | R | 87.1 | Confident | 80.8 | Confident | 111 Ų | 111 | 72.4 Ų | 72.4 | 42% | 0.419 | 39% | 0.388 | S | S | . | . | trans | -126.1 | 155.6 | 168.7 | -68.4 | -167.7 | -178.1 | -177.8 | 6.4 | 109.7 | G709 T710 | R707-G709 PolarHBondContact O-N 2.95Å; R707-T710 PolarHBondContact N-OG1 2.9Å; R707-T710 PolarHBondContact O-N 2.72Å; R707-T710 PolarHBondContact O-OG1 3.03Å | ||
| 708 | P | 83.7 | Confident | 82.8 | Confident | 19 Ų | 19 | 67.1 Ų | 67.1 | 12% | 0.123 | 37% | 0.365 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -53.3 | -40.2 | 174.4 | -26 | 34 | 0 | 0 | 0 | 113.2 | T710 L736 F738 E742 I748 | P708-T710 PolarHBondContact O-N 3.35Å; P708-L736 HydrophobicContact CG-CD2 4.2Å; P708-F738 HydrophobicContact CG-CD1 3.64Å; P708-F738 HydrophobicContact CG-CE1 3.8Å; P708-E742 HydrophobicContact CG-CB 4.43Å; P708-I748 HydrophobicContact CB-CB 4.44Å; P708-I748 HydrophobicContact CB-CG2 3.89Å |
| 709 | G | 82.8 | Confident | 84.5 | Confident | 70 Ų | 70 | 62.5 Ų | 62.5 | 72% | 0.722 | 34% | 0.337 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -95.9 | 41.8 | 176.8 | 0 | 0 | 0 | 0 | 0 | 114.6 | R707 D711 | R707-G709 PolarHBondContact O-N 2.95Å; G709-D711 PolarHBondContact O-N 2.63Å |
| 710 | T | 81.8 | Confident | 85.9 | Confident | 25 Ų | 25 | 64.8 Ų | 64.8 | 15% | 0.153 | 34% | 0.339 | C | S | . | . | trans | -73.9 | 117.3 | 175.5 | -56.1 | 0 | 0 | 0 | 0 | 109.5 | F706 R707 P708 D714 | F706-T710 HydrophobicContact CD1-CG2 4.42Å; R707-T710 PolarHBondContact N-OG1 2.9Å; R707-T710 PolarHBondContact O-N 2.72Å; R707-T710 PolarHBondContact O-OG1 3.03Å; P708-T710 PolarHBondContact O-N 3.35Å; T710-D714 HydrophobicContact CG2-CB 3.93Å; T710-D714 WeakPolarHBondContact CG2-OD2 3.47Å | ||
| 711 | D | 87.1 | Confident | 86.8 | Confident | 122 Ų | 122 | 61.8 Ų | 61.8 | 65% | 0.652 | 33% | 0.328 | S | S | * | . | trans | -62 | 152.6 | 173.9 | 178.2 | -150 | 0 | 0 | 0 | 111.7 | G709 G713 D714 Y715 | G709-D711 PolarHBondContact O-N 2.63Å; D711-G713 VanDerWaalsContact C-N 3.27Å; D711-G713 PolarHBondContact O-N 3.45Å; D711-D714 PolarHBondContact O-N 2.83Å; D711-D714 VanDerWaalsContact O-N 3.1Å; D711-Y715 WeakPolarHBondContact O-CB 3.36Å; D711-Y715 PolarHBondContact O-N 3.45Å | ||
| 712 | E | 85.1 | Confident | 87.1 | Confident | 83 Ų | 83 | 57.5 Ų | 57.5 | 39% | 0.388 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -55.7 | -40.1 | -176.8 | -171.9 | 57.4 | -145 | 0 | 0 | 112.2 | Y715 Q716 R755 | E712-Y715 WeakPolarHBondContact O-CB 3.33Å; E712-Y715 PolarHBondContact O-N 2.72Å; E712-Q716 VanDerWaalsContact O-CG 3.3Å; E712-Q716 WeakPolarHBondContact O-CG 3.4Å; E712-Q716 PolarHBondContact O-N 3.15Å; E712-Q716 PolarHBondContact OE1-NE2 3.26Å; E712-R755 IonicContact OE1-CZ 2.63Å; E712-R755 IonicContact OE1-NH2 3.95Å; E712-R755 PolarHBondContact OE1-NH2 3.34Å; E712-R755 IonicContact OE2-CZ 3.39Å; E712-R755 IonicContact OE2-NH1 3.03Å; E712-R755 PolarHBondContact OE2-NH1 3.38Å; E712-R755 IonicContact OE2-NH2 2.87Å; E712-R755 PolarHBondContact OE2-NH2 3.06Å |
| 713 | G | 83.4 | Confident | 87.1 | Confident | 42 Ų | 42 | 56.8 Ų | 56.8 | 43% | 0.433 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -61.4 | -46 | 176.4 | 0 | 0 | 0 | 0 | 0 | 113 | D711 V717 | D711-G713 VanDerWaalsContact C-N 3.27Å; D711-G713 PolarHBondContact O-N 3.45Å; G713-V717 WeakPolarHBondContact O-CG2 3.39Å; G713-V717 PolarHBondContact O-N 3.06Å |
| 714 | D | 87.4 | Confident | 86.7 | Confident | 70 Ų | 70 | 58.9 Ų | 58.9 | 37% | 0.374 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -70.1 | -37.5 | 178.1 | -174.2 | 38.3 | 0 | 0 | 0 | 111.2 | T710 D711 Q716 V717 K718 | T710-D714 HydrophobicContact CG2-CB 3.93Å; T710-D714 WeakPolarHBondContact CG2-OD2 3.47Å; D711-D714 PolarHBondContact O-N 2.83Å; D711-D714 VanDerWaalsContact O-N 3.1Å; D714-Q716 PolarHBondContact O-N 3.43Å; D714-V717 PolarHBondContact O-N 3.21Å; D714-K718 WeakPolarHBondContact O-CG 3.29Å; D714-K718 PolarHBondContact O-N 3.07Å; D714-K718 WeakPolarHBondContact OD1-CE 3.22Å; D714-K718 IonicContact OD1-NZ 2.62Å; D714-K718 WeakPolarHBondContact OD2-CE 3.38Å; D714-K718 IonicContact OD2-NZ 3.42Å; D714-K718 PolarHBondContact OD2-NZ 2.93Å |
| 715 | Y | 91.6 | Very high | 86.4 | Confident | 3 Ų | 3 | 59.8 Ų | 59.8 | 1% | 0.012 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -56.2 | -50.5 | 173.9 | -177.4 | -90 | 0 | 0 | 0 | 111.3 | F706 D711 E712 V717 K718 L719 R755 V756 D759 | F706-Y715 HydrophobicContact CD1-CD2 4.18Å; F706-Y715 HydrophobicContact CD1-CE2 4.49Å; F706-Y715 AromaticContact CE1-CD2 3.62Å; F706-Y715 HydrophobicContact CE1-CD2 3.62Å; F706-Y715 AromaticContact CE1-CE2 3.84Å; F706-Y715 HydrophobicContact CE1-CE2 3.84Å; F706-Y715 HydrophobicContact CE1-CG 4.48Å; D711-Y715 WeakPolarHBondContact O-CB 3.36Å; D711-Y715 PolarHBondContact O-N 3.45Å; E712-Y715 WeakPolarHBondContact O-CB 3.33Å; E712-Y715 PolarHBondContact O-N 2.72Å; Y715-V717 PolarHBondContact O-N 3.47Å; Y715-K718 PolarHBondContact O-N 3.5Å; Y715-L719 HydrophobicContact CE1-CD2 4.18Å; Y715-L719 WeakPolarHBondContact O-CB 3.46Å; Y715-L719 PolarHBondContact O-N 3.31Å; Y715-R755 HydrophobicContact CE2-CG 4.36Å; Y715-R755 VanDerWaalsContact OH-C 3.28Å; Y715-R755 WeakPolarHBondContact OH-CG 3.46Å; Y715-R755 PolarHBondContact OH-O 3.47Å; Y715-V756 HydrophobicContact CE2-CG2 3.68Å; Y715-V756 WeakPolarHBondContact OH-CA 3.19Å; Y715-V756 PolarHBondContact OH-N 3.04Å; Y715-D759 WeakPolarHBondContact CE1-OD2 3.46Å; Y715-D759 VanDerWaalsContact CZ-OD2 3.25Å; Y715-D759 PolarHBondContact OH-OD2 3.07Å |
| 716 | Q | 86.6 | Confident | 85.9 | Confident | 68 Ų | 68 | 54.6 Ų | 54.6 | 32% | 0.318 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -65.1 | -34 | 179.1 | -67.1 | -60 | -29.5 | 0 | 0 | 113.2 | E712 D714 R720 | E712-Q716 VanDerWaalsContact O-CG 3.3Å; E712-Q716 WeakPolarHBondContact O-CG 3.4Å; E712-Q716 PolarHBondContact O-N 3.15Å; E712-Q716 PolarHBondContact OE1-NE2 3.26Å; D714-Q716 PolarHBondContact O-N 3.43Å; Q716-R720 WeakPolarHBondContact O-CB 3.41Å; Q716-R720 VanDerWaalsContact O-CG 3.32Å; Q716-R720 WeakPolarHBondContact O-CG 3.38Å; Q716-R720 PolarHBondContact O-N 3.32Å; Q716-R720 PolarHBondContact O-NE 2.99Å |
| 717 | V | 87.6 | Confident | 85.2 | Confident | 70 Ų | 70 | 60.5 Ų | 60.5 | 42% | 0.424 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -66.8 | -44 | 175 | 172 | 0 | 0 | 0 | 0 | 111.4 | G713 D714 Y715 R720 S721 | G713-V717 WeakPolarHBondContact O-CG2 3.39Å; G713-V717 PolarHBondContact O-N 3.06Å; D714-V717 PolarHBondContact O-N 3.21Å; Y715-V717 PolarHBondContact O-N 3.47Å; V717-R720 PolarHBondContact O-N 3.28Å; V717-S721 PolarHBondContact O-N 3.08Å; V717-S721 PolarHBondContact O-OG 2.91Å |
| 718 | K | 90.5 | Very high | 84.4 | Confident | 40 Ų | 40 | 59.8 Ų | 59.8 | 17% | 0.174 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -65.9 | -43 | 176.5 | -74 | 172.8 | 179.6 | 166.3 | 0 | 111.6 | I704 K705 F706 D714 Y715 S721 L722 | I704-K718 WeakPolarHBondContact CD1-O 3.42Å; I704-K718 HydrophobicContact CG2-CB 3.88Å; I704-K718 HydrophobicContact CG2-CD 4.34Å; I704-K718 HydrophobicContact CG2-CG 4.02Å; K705-K718 WeakPolarHBondContact O-CD 3.28Å; K705-K718 WeakPolarHBondContact O-CE 3.17Å; K705-K718 PolarHBondContact O-NZ 2.96Å; F706-K718 HydrophobicContact CD1-CD 4.14Å; F706-K718 HydrophobicContact CE1-CB 3.95Å; F706-K718 HydrophobicContact CE1-CD 4.04Å; F706-K718 HydrophobicContact CE2-CB 4.38Å; F706-K718 HydrophobicContact CZ-CB 3.71Å; F706-K718 HydrophobicContact CZ-CD 4.33Å; D714-K718 WeakPolarHBondContact O-CG 3.29Å; D714-K718 PolarHBondContact O-N 3.07Å; D714-K718 WeakPolarHBondContact OD1-CE 3.22Å; D714-K718 IonicContact OD1-NZ 2.62Å; D714-K718 WeakPolarHBondContact OD2-CE 3.38Å; D714-K718 IonicContact OD2-NZ 3.42Å; D714-K718 PolarHBondContact OD2-NZ 2.93Å; Y715-K718 PolarHBondContact O-N 3.5Å; K718-S721 PolarHBondContact O-N 3.08Å; K718-L722 WeakPolarHBondContact O-CB 3.34Å; K718-L722 PolarHBondContact O-N 3.16Å |
| 719 | L | 89.2 | Confident | 83.7 | Confident | 14 Ų | 14 | 61.1 Ų | 61.1 | 7% | 0.073 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -60.5 | -46.6 | 175.8 | -173.7 | 66.3 | 0 | 0 | 0 | 111.6 | Y715 S721 L722 I723 D759 L760 | Y715-L719 HydrophobicContact CE1-CD2 4.18Å; Y715-L719 WeakPolarHBondContact O-CB 3.46Å; Y715-L719 PolarHBondContact O-N 3.31Å; L719-S721 VanDerWaalsContact C-N 3.33Å; L719-S721 PolarHBondContact O-N 3.15Å; L719-L722 WeakPolarHBondContact O-CB 3.43Å; L719-L722 PolarHBondContact O-N 2.91Å; L719-L722 VanDerWaalsContact O-N 3.15Å; L719-I723 HydrophobicContact CG-CD1 4.16Å; L719-I723 WeakPolarHBondContact O-CG1 3.25Å; L719-I723 PolarHBondContact O-N 2.95Å; L719-D759 HydrophobicContact CD1-CB 3.96Å; L719-D759 HydrophobicContact CD2-CB 4Å; L719-L760 HydrophobicContact CD1-CD2 4.04Å; L719-L760 HydrophobicContact CD1-CG 4.3Å |
| 720 | R | 86.7 | Confident | 83.4 | Confident | 155 Ų | 155 | 58.4 Ų | 58.4 | 59% | 0.585 | 30% | 0.302 | S | S | * | . | H | α-helix | trans | -60 | -40.4 | 175.1 | -77.4 | -177 | -68.2 | -137.6 | 0.7 | 113 | Q716 V717 L722 I723 R724 | Q716-R720 WeakPolarHBondContact O-CB 3.41Å; Q716-R720 VanDerWaalsContact O-CG 3.32Å; Q716-R720 WeakPolarHBondContact O-CG 3.38Å; Q716-R720 PolarHBondContact O-N 3.32Å; Q716-R720 PolarHBondContact O-NE 2.99Å; V717-R720 PolarHBondContact O-N 3.28Å; R720-L722 VanDerWaalsContact C-N 3.33Å; R720-I723 PolarHBondContact O-N 3.27Å; R720-R724 WeakPolarHBondContact O-CB 3.18Å; R720-R724 PolarHBondContact O-N 3.35Å |
| 721 | S | 86.6 | Confident | 83.6 | Confident | 33 Ų | 33 | 60.3 Ų | 60.3 | 23% | 0.231 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -64.7 | -40.4 | 176.1 | -62.3 | 0 | 0 | 0 | 0 | 111.4 | V717 K718 L719 R724 F725 | V717-S721 PolarHBondContact O-N 3.08Å; V717-S721 PolarHBondContact O-OG 2.91Å; K718-S721 PolarHBondContact O-N 3.08Å; L719-S721 VanDerWaalsContact C-N 3.33Å; L719-S721 PolarHBondContact O-N 3.15Å; S721-R724 PolarHBondContact O-N 3.4Å; S721-F725 WeakPolarHBondContact O-CD2 3.42Å; S721-F725 VanDerWaalsContact O-CG 3.24Å; S721-F725 WeakPolarHBondContact O-CG 3.1Å; S721-F725 PolarHBondContact O-N 3.29Å |
| 722 | L | 87.2 | Confident | 83.6 | Confident | 1 Ų | 1 | 54.5 Ų | 54.5 | 1% | 0.005 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -64.3 | -45.8 | 177 | -160 | 119.3 | 0 | 0 | 0 | 111.7 | I704 K718 L719 R720 R724 F725 L726 A732 I734 L760 V782 | I704-L722 HydrophobicContact CB-CD1 4.3Å; I704-L722 HydrophobicContact CD1-CB 3.67Å; I704-L722 HydrophobicContact CD1-CD1 3.89Å; I704-L722 HydrophobicContact CD1-CG 4.22Å; I704-L722 HydrophobicContact CG1-CD1 4.36Å; K718-L722 WeakPolarHBondContact O-CB 3.34Å; K718-L722 PolarHBondContact O-N 3.16Å; L719-L722 WeakPolarHBondContact O-CB 3.43Å; L719-L722 PolarHBondContact O-N 2.91Å; L719-L722 VanDerWaalsContact O-N 3.15Å; R720-L722 VanDerWaalsContact C-N 3.33Å; L722-R724 VanDerWaalsContact C-N 3.33Å; L722-R724 PolarHBondContact O-N 3.42Å; L722-F725 PolarHBondContact O-N 3.43Å; L722-L726 HydrophobicContact CD2-CD1 3.7Å; L722-L726 HydrophobicContact CG-CD1 4.41Å; L722-L726 VanDerWaalsContact O-CG 3.29Å; L722-L726 WeakPolarHBondContact O-CG 3.41Å; L722-L726 PolarHBondContact O-N 3.15Å; L722-A732 HydrophobicContact CD1-CB 3.81Å; L722-A732 HydrophobicContact CG-CB 3.95Å; L722-I734 HydrophobicContact CD1-CD1 3.8Å; L722-I734 HydrophobicContact CD1-CG1 3.53Å; L722-L760 HydrophobicContact CD2-CD1 3.16Å; L722-L760 HydrophobicContact CD2-CD2 3.33Å; L722-L760 HydrophobicContact CD2-CG 3.8Å; L722-V782 HydrophobicContact CD2-CG2 4.26Å |
| 723 | I | 84.6 | Confident | 83.8 | Confident | 44 Ų | 44 | 53.7 Ų | 53.7 | 23% | 0.226 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -57.7 | -46.1 | 174.6 | -68 | 168.4 | 0 | 0 | 0 | 110.3 | L719 R720 F725 L726 E727 L760 L763 | L719-I723 HydrophobicContact CG-CD1 4.16Å; L719-I723 WeakPolarHBondContact O-CG1 3.25Å; L719-I723 PolarHBondContact O-N 2.95Å; R720-I723 PolarHBondContact O-N 3.27Å; I723-F725 PolarHBondContact O-N 3.32Å; I723-L726 PolarHBondContact O-N 3.42Å; I723-E727 HydrophobicContact CG2-CG 4.29Å; I723-E727 WeakPolarHBondContact O-CG 3.46Å; I723-E727 PolarHBondContact O-N 3.27Å; I723-L760 HydrophobicContact CG1-CD2 4.32Å; I723-L763 HydrophobicContact CD1-CD1 4.03Å; I723-L763 HydrophobicContact CG1-CD1 3.93Å; I723-L763 HydrophobicContact CG2-CD1 4.29Å |
| 724 | R | 82.8 | Confident | 84.2 | Confident | 128 Ų | 128 | 51.7 Ų | 51.7 | 48% | 0.483 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -57.6 | -45.9 | 177.2 | -175.9 | -178 | 66.3 | -165.7 | -2.3 | 112 | R720 S721 L722 L726 E727 E728 | R720-R724 WeakPolarHBondContact O-CB 3.18Å; R720-R724 PolarHBondContact O-N 3.35Å; S721-R724 PolarHBondContact O-N 3.4Å; L722-R724 VanDerWaalsContact C-N 3.33Å; L722-R724 PolarHBondContact O-N 3.42Å; R724-L726 VanDerWaalsContact C-N 3.34Å; R724-L726 PolarHBondContact O-N 3.1Å; R724-E727 PolarHBondContact O-N 2.88Å; R724-E728 WeakPolarHBondContact CG-OE1 3.49Å; R724-E728 WeakPolarHBondContact O-CG 3.24Å; R724-E728 PolarHBondContact O-N 2.92Å |
| 725 | F | 82.2 | Confident | 84.3 | Confident | 31 Ų | 31 | 48.4 Ų | 48.4 | 14% | 0.136 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -61.6 | -42.5 | 177.5 | -61 | -35.4 | 0 | 0 | 0 | 112 | K702 I704 S721 L722 I723 E727 E728 G729 D730 | K702-F725 HydrophobicContact CB-CB 4.3Å; K702-F725 HydrophobicContact CB-CD1 4.33Å; K702-F725 HydrophobicContact CB-CD2 3.57Å; K702-F725 HydrophobicContact CB-CE2 3.86Å; K702-F725 HydrophobicContact CB-CG 3.84Å; K702-F725 HydrophobicContact CB-CZ 4.37Å; K702-F725 HydrophobicContact CD-CD1 4.46Å; K702-F725 HydrophobicContact CD-CE1 4.41Å; K702-F725 HydrophobicContact CG-CB 4.19Å; K702-F725 HydrophobicContact CG-CD1 3.88Å; K702-F725 HydrophobicContact CG-CD2 4.05Å; K702-F725 HydrophobicContact CG-CE1 4.24Å; K702-F725 HydrophobicContact CG-CE2 4.38Å; K702-F725 HydrophobicContact CG-CG 3.79Å; K702-F725 HydrophobicContact CG-CZ 4.48Å; I704-F725 HydrophobicContact CD1-CD2 3.96Å; I704-F725 HydrophobicContact CD1-CE2 3.75Å; I704-F725 HydrophobicContact CG1-CD2 4.31Å; I704-F725 HydrophobicContact CG1-CE2 3.91Å; S721-F725 WeakPolarHBondContact O-CD2 3.42Å; S721-F725 VanDerWaalsContact O-CG 3.24Å; S721-F725 WeakPolarHBondContact O-CG 3.1Å; S721-F725 PolarHBondContact O-N 3.29Å; L722-F725 PolarHBondContact O-N 3.43Å; I723-F725 PolarHBondContact O-N 3.32Å; F725-E727 PolarHBondContact O-N 2.87Å; F725-E728 PolarHBondContact O-N 2.96Å; F725-G729 PolarHBondContact O-N 3.05Å; F725-D730 HydrophobicContact CB-CB 4.38Å; F725-D730 WeakPolarHBondContact O-CB 3Å; F725-D730 PolarHBondContact O-N 3.36Å |
| 726 | L | 80.6 | Confident | 84.2 | Confident | 15 Ų | 15 | 48.3 Ų | 48.3 | 8% | 0.079 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -66.8 | -35.6 | 177.5 | -65.4 | 167.7 | 0 | 0 | 0 | 112.6 | L722 I723 R724 G729 A732 L760 A764 V782 G784 | L722-L726 HydrophobicContact CD2-CD1 3.7Å; L722-L726 HydrophobicContact CG-CD1 4.41Å; L722-L726 VanDerWaalsContact O-CG 3.29Å; L722-L726 WeakPolarHBondContact O-CG 3.41Å; L722-L726 PolarHBondContact O-N 3.15Å; I723-L726 PolarHBondContact O-N 3.42Å; R724-L726 VanDerWaalsContact C-N 3.34Å; R724-L726 PolarHBondContact O-N 3.1Å; L726-G729 PolarHBondContact O-N 3.31Å; L726-A732 HydrophobicContact CD2-CB 4.49Å; L726-L760 HydrophobicContact CD1-CD2 4.03Å; L726-A764 HydrophobicContact CD1-CB 3.79Å; L726-A764 HydrophobicContact CD2-CB 4.39Å; L726-V782 HydrophobicContact CD1-CG2 4.45Å; L726-V782 HydrophobicContact CD2-CG2 4.15Å; L726-G784 VanDerWaalsContact CD2-N 3.32Å |
| 727 | E | 74.6 | Confident | 84.2 | Confident | 127 Ų | 127 | 51.3 Ų | 51.3 | 59% | 0.593 | 24% | 0.242 | S | C | * | . | H | α-helix | trans | -69.9 | -33 | 175.2 | -73.8 | -166.6 | 135.9 | 0 | 0 | 113.3 | I723 R724 F725 G729 | I723-E727 HydrophobicContact CG2-CG 4.29Å; I723-E727 WeakPolarHBondContact O-CG 3.46Å; I723-E727 PolarHBondContact O-N 3.27Å; R724-E727 PolarHBondContact O-N 2.88Å; F725-E727 PolarHBondContact O-N 2.87Å; E727-G729 PolarHBondContact O-N 3.46Å |
| 728 | E | 70.3 | Confident | 84.1 | Confident | 96 Ų | 96 | 48.1 Ų | 48.1 | 45% | 0.449 | 22% | 0.222 | S | C | . | . | H | α-helix | trans | -73.5 | -11.6 | 173.8 | -72.6 | 172.7 | -172.8 | 0 | 0 | 112.6 | K697 R724 F725 | K697-E728 PolarHBondContact NZ-O 3.23Å; R724-E728 WeakPolarHBondContact CG-OE1 3.49Å; R724-E728 WeakPolarHBondContact O-CG 3.24Å; R724-E728 PolarHBondContact O-N 2.92Å; F725-E728 PolarHBondContact O-N 2.96Å |
| 729 | G | 69 | Low | 83.5 | Confident | 46 Ų | 46 | 52.9 Ų | 52.9 | 47% | 0.474 | 24% | 0.239 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 90.2 | 14.6 | 177.4 | 0 | 0 | 0 | 0 | 0 | 114.4 | F725 L726 E727 | F725-G729 PolarHBondContact O-N 3.05Å; L726-G729 PolarHBondContact O-N 3.31Å; E727-G729 PolarHBondContact O-N 3.46Å |
| 730 | D | 77.2 | Confident | 82.8 | Confident | 14 Ų | 14 | 55 Ų | 55 | 8% | 0.075 | 26% | 0.264 | C | S | . | . | trans | -80.9 | 159.3 | 173.9 | -71.7 | -22.3 | 0 | 0 | 0 | 111 | Q700 K702 F725 | Q700-D730 PolarHBondContact N-OD1 2.89Å; Q700-D730 WeakPolarHBondContact O-CB 3.4Å; K702-D730 WeakPolarHBondContact CE-OD2 3.43Å; K702-D730 HydrophobicContact CG-CB 4.02Å; F725-D730 HydrophobicContact CB-CB 4.38Å; F725-D730 WeakPolarHBondContact O-CB 3Å; F725-D730 PolarHBondContact O-N 3.36Å | ||
| 731 | K | 84.3 | Confident | 82.3 | Confident | 65 Ų | 65 | 58.8 Ų | 58.8 | 28% | 0.283 | 28% | 0.278 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.4 | 148.5 | 166 | -72.7 | -175.8 | 175.5 | -155.2 | 0 | 108.7 | I699 Q700 V701 K702 E767 R783 | I699-K731 HydrophobicContact CG2-CB 4.46Å; I699-K731 HydrophobicContact CG2-CD 4.38Å; I699-K731 HydrophobicContact CG2-CG 3.89Å; Q700-K731 PolarHBondContact O-N 3.01Å; V701-K731 CarbonylContact C-O 3.44Å; V701-K731 WeakPolarHBondContact CA-O 3.32Å; V701-K731 HydrophobicContact CG2-CB 4.14Å; V701-K731 HydrophobicContact CG2-CD 4.45Å; K702-K731 PolarHBondContact N-O 2.88Å; K731-E767 VanDerWaalsContact CE-OE1 3.28Å; K731-E767 WeakPolarHBondContact CE-OE1 3.15Å; K731-E767 WeakPolarHBondContact CE-OE2 3.25Å; K731-E767 IonicContact NZ-OE1 3.98Å; K731-E767 PolarHBondContact NZ-OE1 3.45Å; K731-E767 IonicContact NZ-OE2 3.07Å; K731-E767 PolarHBondContact NZ-OE2 3.12Å; K731-R783 HydrophobicContact CG-CB 4.39Å |
| 732 | A | 87.1 | Confident | 81.7 | Confident | 0 Ų | 0 | 60.1 Ų | 60.1 | 0% | 0 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.3 | 130.1 | 176.1 | 0 | 0 | 0 | 0 | 0 | 111.4 | K702 L722 L726 T781 V782 | K702-A732 CarbonylContact O-C 3.55Å; K702-A732 VanDerWaalsContact O-CA 3.27Å; K702-A732 WeakPolarHBondContact O-CA 3.46Å; L722-A732 HydrophobicContact CD1-CB 3.81Å; L722-A732 HydrophobicContact CG-CB 3.95Å; L726-A732 HydrophobicContact CD2-CB 4.49Å; A732-T781 WeakPolarHBondContact O-CA 3.35Å; A732-V782 HydrophobicContact CB-CG2 3.78Å; A732-V782 PolarHBondContact N-O 3.01Å; A732-V782 PolarHBondContact O-N 2.87Å |
| 733 | K | 91.4 | Very high | 81.1 | Confident | 65 Ų | 65 | 63.7 Ų | 63.7 | 28% | 0.283 | 30% | 0.298 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.4 | 116.5 | 171.3 | -178.6 | -175.8 | 179.6 | -176.1 | 0 | 108.3 | V701 K702 E703 I704 I779 | V701-K733 HydrophobicContact CG1-CB 3.83Å; K702-K733 PolarHBondContact O-N 3.03Å; E703-K733 CarbonylContact C-O 3.57Å; E703-K733 VanDerWaalsContact CA-O 3.25Å; E703-K733 WeakPolarHBondContact CA-O 3.29Å; E703-K733 HydrophobicContact CG-CB 4.43Å; E703-K733 HydrophobicContact CG-CD 4.33Å; E703-K733 HydrophobicContact CG-CG 4.41Å; I704-K733 PolarHBondContact N-O 3.34Å; K733-I779 HydrophobicContact CD-CG2 4.22Å; K733-I779 HydrophobicContact CG-CG2 3.81Å |
| 734 | I | 91.1 | Very high | 80.7 | Confident | 0 Ų | 0 | 65.6 Ų | 65.6 | 0% | 0 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.7 | 116.5 | 176.2 | -59.4 | 87 | 0 | 0 | 0 | 107.8 | I704 F706 L722 L753 V756 I779 M780 V782 | I704-I734 WeakPolarHBondContact O-CA 3.39Å; F706-I734 HydrophobicContact CD2-CG2 3.49Å; F706-I734 VanDerWaalsContact CD2-CG2 3.49Å; F706-I734 HydrophobicContact CE2-CG2 3.7Å; L722-I734 HydrophobicContact CD1-CD1 3.8Å; L722-I734 HydrophobicContact CD1-CG1 3.53Å; I734-L753 HydrophobicContact CB-CD2 4.46Å; I734-L753 HydrophobicContact CG2-CD2 3.7Å; I734-V756 HydrophobicContact CG1-CG1 4.32Å; I734-I779 CarbonylContact O-C 3.45Å; I734-I779 WeakPolarHBondContact O-CA 3.28Å; I734-M780 HydrophobicContact CB-CB 4.23Å; I734-M780 HydrophobicContact CB-CE 4.09Å; I734-M780 HydrophobicContact CD1-CE 3.73Å; I734-M780 HydrophobicContact CD1-CG 4.36Å; I734-M780 WeakPolarHBondContact CD1-O 3.45Å; I734-M780 HydrophobicContact CG1-CE 3.86Å; I734-M780 HydrophobicContact CG2-CE 4.32Å; I734-M780 PolarHBondContact N-O 3.33Å; I734-M780 PolarHBondContact O-N 3.39Å; I734-V782 HydrophobicContact CD1-CB 4.31Å; I734-V782 HydrophobicContact CD1-CG1 3.85Å; I734-V782 HydrophobicContact CD1-CG2 3.57Å |
| 735 | T | 89.7 | Confident | 80.3 | Confident | 2 Ų | 2 | 64.8 Ų | 64.8 | 1% | 0.012 | 32% | 0.322 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.4 | 116.7 | -179.9 | -56.6 | 0 | 0 | 0 | 0 | 109.5 | E703 I704 K705 F706 Q777 M778 I779 | E703-T735 WeakPolarHBondContact OE1-CB 3.38Å; E703-T735 PolarHBondContact OE1-OG1 2.91Å; I704-T735 PolarHBondContact O-N 3.12Å; K705-T735 CarbonylContact C-O 3.53Å; K705-T735 WeakPolarHBondContact CA-O 3.23Å; F706-T735 PolarHBondContact N-O 2.83Å; T735-Q777 HydrophobicContact CG2-CB 4.23Å; T735-Q777 HydrophobicContact CG2-CG 4.38Å; T735-M778 CarbonylContact C-O 3.6Å; T735-M778 WeakPolarHBondContact CA-O 3.33Å; T735-I779 HydrophobicContact CG2-CG1 4.41Å |
| 736 | L | 89.3 | Confident | 80.1 | Confident | 0 Ų | 0 | 68 Ų | 68 | 0% | 0 | 34% | 0.338 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.2 | 119.4 | 174 | -172 | 139.9 | 0 | 0 | 0 | 109.4 | F706 P708 F738 G749 V752 L753 Q777 M778 | F706-L736 HydrophobicContact CB-CB 4.45Å; F706-L736 HydrophobicContact CB-CD1 4.14Å; F706-L736 HydrophobicContact CB-CG 4.4Å; F706-L736 WeakPolarHBondContact O-CA 3.39Å; P708-L736 HydrophobicContact CG-CD2 4.2Å; L736-F738 HydrophobicContact CD2-CD1 4.44Å; L736-F738 HydrophobicContact CD2-CD2 4.14Å; L736-F738 HydrophobicContact CD2-CE1 3.91Å; L736-F738 HydrophobicContact CD2-CE2 3.56Å; L736-F738 HydrophobicContact CD2-CZ 3.43Å; L736-F738 VanDerWaalsContact CD2-CZ 3.43Å; L736-G749 WeakPolarHBondContact CD1-O 3.32Å; L736-V752 HydrophobicContact CD1-CB 3.67Å; L736-V752 HydrophobicContact CD1-CG1 3.69Å; L736-V752 HydrophobicContact CD1-CG2 4.42Å; L736-L753 HydrophobicContact CB-CG 4.5Å; L736-L753 HydrophobicContact CD1-CG 4.4Å; L736-Q777 CarbonylContact O-C 3.55Å; L736-Q777 WeakPolarHBondContact O-CA 3.44Å; L736-M778 HydrophobicContact CB-CB 4.36Å; L736-M778 PolarHBondContact N-O 2.92Å; L736-M778 PolarHBondContact O-N 3.01Å |
| 737 | R | 86.4 | Confident | 80.2 | Confident | 131 Ų | 131 | 74.7 Ų | 74.7 | 49% | 0.494 | 37% | 0.368 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.1 | 130 | -175.9 | -177.1 | 176.2 | -176.6 | 179.2 | 3 | 111.2 | F706 R776 Q777 | F706-R737 PolarHBondContact O-N 3.33Å; F706-R737 VanDerWaalsContact O-N 3.11Å; R737-R776 WeakPolarHBondContact CA-O 3.24Å; R737-Q777 HydrophobicContact CB-CG 4.12Å; R737-Q777 HydrophobicContact CG-CG 4.01Å |
| 738 | F | 84.5 | Confident | 80.6 | Confident | 3 Ų | 3 | 71.7 Ų | 71.7 | 1% | 0.013 | 36% | 0.356 | C | S | . | . | trans | -92 | 145.7 | 175.4 | -60.3 | -89.2 | 0 | 0 | 0 | 111.8 | P708 L736 E742 M743 I773 R776 M778 | P708-F738 HydrophobicContact CG-CD1 3.64Å; P708-F738 HydrophobicContact CG-CE1 3.8Å; L736-F738 HydrophobicContact CD2-CD1 4.44Å; L736-F738 HydrophobicContact CD2-CD2 4.14Å; L736-F738 HydrophobicContact CD2-CE1 3.91Å; L736-F738 HydrophobicContact CD2-CE2 3.56Å; L736-F738 HydrophobicContact CD2-CZ 3.43Å; L736-F738 VanDerWaalsContact CD2-CZ 3.43Å; F738-E742 HydrophobicContact CB-CB 4.43Å; F738-E742 HydrophobicContact CD1-CB 4.25Å; F738-E742 WeakPolarHBondContact CD1-O 3.48Å; F738-M743 HydrophobicContact CB-CG 3.98Å; F738-I773 HydrophobicContact CE2-CD1 4.13Å; F738-R776 PolarHBondContact N-O 3.39Å; F738-M778 HydrophobicContact CE2-CE 3.95Å; F738-M778 HydrophobicContact CE2-CG 3.95Å; F738-M778 HydrophobicContact CE2-SD 3.97Å; F738-M778 HydrophobicContact CZ-CE 3.71Å; F738-M778 HydrophobicContact CZ-CG 4.49Å; F738-M778 HydrophobicContact CZ-SD 3.9Å | ||
| 739 | R | 79.1 | Confident | 81.2 | Confident | 141 Ų | 141 | 67.1 Ų | 67.1 | 53% | 0.532 | 34% | 0.335 | S | S | . | . | trans | -123 | 127.9 | 172 | -77 | -175.5 | 167.6 | -170.5 | -5.7 | 111.7 | R741 E742 | R739-R741 PolarHBondContact O-N 3.41Å; R739-E742 PolarHBondContact N-OE2 3.14Å; R739-E742 VanDerWaalsContact O-CB 3.23Å; R739-E742 WeakPolarHBondContact O-CB 3.29Å; R739-E742 VanDerWaalsContact O-CG 3.24Å; R739-E742 WeakPolarHBondContact O-CG 3.5Å; R739-E742 PolarHBondContact O-N 2.98Å | ||
| 740 | G | 74.1 | Confident | 82 | Confident | 57 Ų | 57 | 67.9 Ų | 67.9 | 59% | 0.588 | 33% | 0.327 | S | S | * | . | G | 310 helix | trans | 53.4 | -121.1 | 168.6 | 0 | 0 | 0 | 0 | 0 | 113.2 | E742 M743 | G740-E742 PolarHBondContact O-N 3.39Å; G740-M743 PolarHBondContact O-N 2.85Å |
| 741 | R | 75.7 | Confident | 82.4 | Confident | 236 Ų | 236 | 72.9 Ų | 72.9 | 89% | 0.891 | 35% | 0.349 | S | S | * | . | G | 310 helix | trans | -63.2 | -17.6 | -178.7 | -55.5 | -175.2 | -161.5 | 178.4 | 5 | 113.9 | R739 M743 A744 | R739-R741 PolarHBondContact O-N 3.41Å; R741-M743 PolarHBondContact O-N 3.42Å; R741-A744 WeakPolarHBondContact O-CB 3.08Å; R741-A744 PolarHBondContact O-N 2.76Å; R741-A744 VanDerWaalsContact O-N 3.15Å |
| 742 | E | 74.5 | Confident | 82.6 | Confident | 61 Ų | 61 | 70.7 Ų | 70.7 | 29% | 0.285 | 34% | 0.341 | S | S | . | . | G | 310 helix | trans | -62.8 | -21 | 176.1 | -62.5 | 172.7 | 175 | 0 | 0 | 112.7 | P708 F738 R739 G740 A744 H745 | P708-E742 HydrophobicContact CG-CB 4.43Å; F738-E742 HydrophobicContact CB-CB 4.43Å; F738-E742 HydrophobicContact CD1-CB 4.25Å; F738-E742 WeakPolarHBondContact CD1-O 3.48Å; R739-E742 PolarHBondContact N-OE2 3.14Å; R739-E742 VanDerWaalsContact O-CB 3.23Å; R739-E742 WeakPolarHBondContact O-CB 3.29Å; R739-E742 VanDerWaalsContact O-CG 3.24Å; R739-E742 WeakPolarHBondContact O-CG 3.5Å; R739-E742 PolarHBondContact O-N 2.98Å; G740-E742 PolarHBondContact O-N 3.39Å; E742-A744 PolarHBondContact O-N 3.26Å; E742-H745 PolarHBondContact O-N 3.09Å |
| 743 | M | 75.3 | Confident | 82.7 | Confident | 75 Ų | 75 | 70.7 Ų | 70.7 | 37% | 0.369 | 34% | 0.341 | S | S | . | . | G | 310 helix | trans | -64.2 | -20.2 | 175.6 | -72.7 | -171.2 | 62.6 | 0 | 0 | 113.7 | F738 G740 R741 H745 Q746 R776 | F738-M743 HydrophobicContact CB-CG 3.98Å; G740-M743 PolarHBondContact O-N 2.85Å; R741-M743 PolarHBondContact O-N 3.42Å; M743-H745 VanDerWaalsContact C-N 3.32Å; M743-Q746 WeakPolarHBondContact O-CG 3.5Å; M743-Q746 PolarHBondContact O-NE2 2.75Å; M743-R776 HydrophobicContact SD-CG 4.05Å |
| 744 | A | 75 | Confident | 82.6 | Confident | 84 Ų | 84 | 70.2 Ų | 70.2 | 69% | 0.694 | 34% | 0.342 | S | S | * | . | G | 310 helix | trans | -75.4 | -21.1 | 173.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | R741 E742 | R741-A744 WeakPolarHBondContact O-CB 3.08Å; R741-A744 PolarHBondContact O-N 2.76Å; R741-A744 VanDerWaalsContact O-N 3.15Å; E742-A744 PolarHBondContact O-N 3.26Å |
| 745 | H | 75.8 | Confident | 82.5 | Confident | 111 Ų | 111 | 74.7 Ų | 74.7 | 51% | 0.514 | 36% | 0.359 | S | S | . | . | trans | -111.3 | 54.7 | -177.3 | -61 | -73.9 | 0 | 0 | 0 | 111.6 | E742 M743 Q747 I748 | E742-H745 PolarHBondContact O-N 3.09Å; M743-H745 VanDerWaalsContact C-N 3.32Å; H745-Q747 PolarHBondContact O-N 3.21Å; H745-I748 HydrophobicContact CB-CD1 3.61Å; H745-I748 HydrophobicContact CB-CG1 3.99Å; H745-I748 PolarHBondContact O-N 2.71Å | ||
| 746 | Q | 77.8 | Confident | 82.5 | Confident | 99 Ų | 99 | 74.7 Ų | 74.7 | 46% | 0.463 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -60.3 | -28.7 | -180 | -55.6 | -177.3 | 8.5 | 0 | 0 | 112.6 | M743 I748 G749 M750 I773 M778 | M743-Q746 WeakPolarHBondContact O-CG 3.5Å; M743-Q746 PolarHBondContact O-NE2 2.75Å; Q746-I748 VanDerWaalsContact C-N 3.33Å; Q746-I748 PolarHBondContact O-N 3.5Å; Q746-G749 PolarHBondContact O-N 3.14Å; Q746-G749 VanDerWaalsContact O-N 3.15Å; Q746-M750 PolarHBondContact O-N 3.27Å; Q746-M750 VanDerWaalsContact O-N 3.11Å; Q746-I773 HydrophobicContact CB-CD1 4.11Å; Q746-I773 HydrophobicContact CG-CD1 3.61Å; Q746-I773 VanDerWaalsContact OE1-CD1 3.31Å; Q746-M778 HydrophobicContact CB-CE 4.31Å |
| 747 | Q | 82.3 | Confident | 82.4 | Confident | 155 Ų | 155 | 78.8 Ų | 78.8 | 72% | 0.724 | 38% | 0.377 | S | S | * | . | H | α-helix | trans | -57 | -43.8 | 176.2 | -69 | 175.5 | -16.4 | 0 | 0 | 111.8 | H745 G749 M750 E751 | H745-Q747 PolarHBondContact O-N 3.21Å; Q747-G749 VanDerWaalsContact C-N 3.27Å; Q747-G749 PolarHBondContact O-N 3.01Å; Q747-M750 WeakPolarHBondContact O-CB 3.41Å; Q747-M750 PolarHBondContact O-N 2.8Å; Q747-E751 WeakPolarHBondContact O-CG 3.5Å; Q747-E751 PolarHBondContact O-N 3.23Å |
| 748 | I | 82.8 | Confident | 82.5 | Confident | 65 Ų | 65 | 77 Ų | 77 | 33% | 0.333 | 38% | 0.377 | S | S | . | . | H | α-helix | trans | -61.2 | -38.6 | 177.9 | -56.9 | 178 | 0 | 0 | 0 | 110.8 | P708 H745 Q746 E751 V752 | P708-I748 HydrophobicContact CB-CB 4.44Å; P708-I748 HydrophobicContact CB-CG2 3.89Å; H745-I748 HydrophobicContact CB-CD1 3.61Å; H745-I748 HydrophobicContact CB-CG1 3.99Å; H745-I748 PolarHBondContact O-N 2.71Å; Q746-I748 VanDerWaalsContact C-N 3.33Å; Q746-I748 PolarHBondContact O-N 3.5Å; I748-E751 PolarHBondContact O-N 2.85Å; I748-V752 WeakPolarHBondContact O-CG2 3.46Å; I748-V752 PolarHBondContact O-N 2.96Å; I748-V752 VanDerWaalsContact O-N 3.09Å |
| 749 | G | 83.1 | Confident | 82.6 | Confident | 0 Ų | 0 | 80.2 Ų | 80.2 | 0% | 0 | 39% | 0.394 | C | S | . | . | H | α-helix | trans | -65.9 | -38.4 | 175.5 | 0 | 0 | 0 | 0 | 0 | 113 | L736 Q746 Q747 L753 | L736-G749 WeakPolarHBondContact CD1-O 3.32Å; Q746-G749 PolarHBondContact O-N 3.14Å; Q746-G749 VanDerWaalsContact O-N 3.15Å; Q747-G749 VanDerWaalsContact C-N 3.27Å; Q747-G749 PolarHBondContact O-N 3.01Å; G749-L753 PolarHBondContact O-N 2.99Å |
| 750 | M | 84.8 | Confident | 82.8 | Confident | 62 Ų | 62 | 73.6 Ų | 73.6 | 31% | 0.305 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -69.3 | -38.2 | 176 | -167.3 | 64.2 | 88.4 | 0 | 0 | 111.8 | Q746 Q747 L753 N754 F769 | Q746-M750 PolarHBondContact O-N 3.27Å; Q746-M750 VanDerWaalsContact O-N 3.11Å; Q747-M750 WeakPolarHBondContact O-CB 3.41Å; Q747-M750 PolarHBondContact O-N 2.8Å; M750-L753 PolarHBondContact O-N 2.86Å; M750-N754 WeakPolarHBondContact O-CB 3.48Å; M750-N754 PolarHBondContact O-N 3.08Å; M750-N754 PolarHBondContact O-ND2 2.84Å; M750-F769 HydrophobicContact SD-CE1 3.65Å; M750-F769 HydrophobicContact SD-CZ 4.17Å |
| 751 | E | 87.2 | Confident | 83 | Confident | 118 Ų | 118 | 78 Ų | 78 | 55% | 0.551 | 38% | 0.375 | S | S | * | . | H | α-helix | trans | -59.2 | -45.9 | 173.8 | -74.3 | 168.3 | -171.9 | 0 | 0 | 111.8 | Q747 I748 L753 N754 R755 | Q747-E751 WeakPolarHBondContact O-CG 3.5Å; Q747-E751 PolarHBondContact O-N 3.23Å; I748-E751 PolarHBondContact O-N 2.85Å; E751-L753 VanDerWaalsContact C-N 3.33Å; E751-L753 PolarHBondContact O-N 2.75Å; E751-N754 PolarHBondContact O-N 2.98Å; E751-R755 VanDerWaalsContact O-CB 3.3Å; E751-R755 WeakPolarHBondContact O-CB 3.3Å; E751-R755 PolarHBondContact O-N 2.93Å |
| 752 | V | 87.3 | Confident | 82.7 | Confident | 19 Ų | 19 | 71.2 Ų | 71.2 | 12% | 0.115 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -61.6 | -40.7 | 176.5 | 173.4 | 0 | 0 | 0 | 0 | 111.3 | F706 L736 I748 R755 V756 | F706-V752 HydrophobicContact CB-CG1 4.17Å; F706-V752 HydrophobicContact CD1-CG1 4Å; F706-V752 HydrophobicContact CG-CG1 4.27Å; L736-V752 HydrophobicContact CD1-CB 3.67Å; L736-V752 HydrophobicContact CD1-CG1 3.69Å; L736-V752 HydrophobicContact CD1-CG2 4.42Å; I748-V752 WeakPolarHBondContact O-CG2 3.46Å; I748-V752 PolarHBondContact O-N 2.96Å; I748-V752 VanDerWaalsContact O-N 3.09Å; V752-R755 WeakPolarHBondContact O-CB 3.43Å; V752-R755 PolarHBondContact O-N 3.33Å; V752-V756 VanDerWaalsContact O-CG2 3.3Å; V752-V756 WeakPolarHBondContact O-CG2 3.15Å; V752-V756 PolarHBondContact O-N 3.28Å |
| 753 | L | 88.7 | Confident | 82.4 | Confident | 0 Ų | 0 | 70.8 Ų | 70.8 | 0% | 0 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -70.3 | -37.5 | 177.6 | -74 | 175.5 | 0 | 0 | 0 | 113.1 | I734 L736 G749 M750 E751 V756 K757 F769 P770 M778 M780 | I734-L753 HydrophobicContact CB-CD2 4.46Å; I734-L753 HydrophobicContact CG2-CD2 3.7Å; L736-L753 HydrophobicContact CB-CG 4.5Å; L736-L753 HydrophobicContact CD1-CG 4.4Å; G749-L753 PolarHBondContact O-N 2.99Å; M750-L753 PolarHBondContact O-N 2.86Å; E751-L753 VanDerWaalsContact C-N 3.33Å; E751-L753 PolarHBondContact O-N 2.75Å; L753-V756 PolarHBondContact O-N 3.41Å; L753-K757 WeakPolarHBondContact O-CB 3.49Å; L753-K757 PolarHBondContact O-N 3.49Å; L753-F769 HydrophobicContact CB-CE2 4.35Å; L753-F769 HydrophobicContact CB-CZ 4.11Å; L753-P770 HydrophobicContact CD1-CG 3.51Å; L753-M778 HydrophobicContact CD1-CB 3.65Å; L753-M778 HydrophobicContact CD1-CG 4.46Å; L753-M778 HydrophobicContact CD1-SD 4.05Å; L753-M780 HydrophobicContact CD2-CB 4.05Å; L753-M780 HydrophobicContact CD2-CE 4.19Å |
| 754 | N | 89.5 | Confident | 82.5 | Confident | 56 Ų | 56 | 67.8 Ų | 67.8 | 30% | 0.299 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -63.2 | -43.6 | 171.8 | -78.9 | -38 | 0 | 0 | 0 | 110.9 | M750 E751 V756 K757 D758 F769 | M750-N754 WeakPolarHBondContact O-CB 3.48Å; M750-N754 PolarHBondContact O-N 3.08Å; M750-N754 PolarHBondContact O-ND2 2.84Å; E751-N754 PolarHBondContact O-N 2.98Å; N754-V756 PolarHBondContact O-N 3.44Å; N754-K757 WeakPolarHBondContact O-CB 3.37Å; N754-K757 PolarHBondContact O-N 3.23Å; N754-K757 VanDerWaalsContact O-N 3.1Å; N754-D758 WeakPolarHBondContact O-CB 3.41Å; N754-D758 PolarHBondContact O-N 2.93Å; N754-F769 WeakPolarHBondContact OD1-CZ 3.42Å |
| 755 | R | 90.5 | Very high | 82.7 | Confident | 94 Ų | 94 | 66.9 Ų | 66.9 | 36% | 0.355 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -57.8 | -46.3 | 174.7 | -166.2 | -171.1 | 169.7 | -179.7 | -2.9 | 112 | E712 Y715 E751 V752 K757 D758 D759 | E712-R755 IonicContact OE1-CZ 2.63Å; E712-R755 IonicContact OE1-NH2 3.95Å; E712-R755 PolarHBondContact OE1-NH2 3.34Å; E712-R755 IonicContact OE2-CZ 3.39Å; E712-R755 IonicContact OE2-NH1 3.03Å; E712-R755 PolarHBondContact OE2-NH1 3.38Å; E712-R755 IonicContact OE2-NH2 2.87Å; E712-R755 PolarHBondContact OE2-NH2 3.06Å; Y715-R755 HydrophobicContact CE2-CG 4.36Å; Y715-R755 VanDerWaalsContact OH-C 3.28Å; Y715-R755 WeakPolarHBondContact OH-CG 3.46Å; Y715-R755 PolarHBondContact OH-O 3.47Å; E751-R755 VanDerWaalsContact O-CB 3.3Å; E751-R755 WeakPolarHBondContact O-CB 3.3Å; E751-R755 PolarHBondContact O-N 2.93Å; V752-R755 WeakPolarHBondContact O-CB 3.43Å; V752-R755 PolarHBondContact O-N 3.33Å; R755-K757 VanDerWaalsContact C-N 3.33Å; R755-K757 PolarHBondContact O-N 3.23Å; R755-D758 PolarHBondContact O-N 3.43Å; R755-D759 WeakPolarHBondContact O-CB 3.3Å; R755-D759 PolarHBondContact O-N 2.85Å |
| 756 | V | 88.9 | Confident | 83.2 | Confident | 1 Ų | 1 | 64.1 Ų | 64.1 | 1% | 0.006 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -64.5 | -38.8 | 175.9 | 175.7 | 0 | 0 | 0 | 0 | 111.2 | F706 Y715 I734 V752 L753 N754 L760 M780 | F706-V756 HydrophobicContact CE1-CG2 3.99Å; F706-V756 HydrophobicContact CE2-CG2 4.11Å; F706-V756 HydrophobicContact CZ-CG2 3.72Å; Y715-V756 HydrophobicContact CE2-CG2 3.68Å; Y715-V756 WeakPolarHBondContact OH-CA 3.19Å; Y715-V756 PolarHBondContact OH-N 3.04Å; I734-V756 HydrophobicContact CG1-CG1 4.32Å; V752-V756 VanDerWaalsContact O-CG2 3.3Å; V752-V756 WeakPolarHBondContact O-CG2 3.15Å; V752-V756 PolarHBondContact O-N 3.28Å; L753-V756 PolarHBondContact O-N 3.41Å; N754-V756 PolarHBondContact O-N 3.44Å; V756-L760 HydrophobicContact CG1-CD1 3.61Å; V756-L760 HydrophobicContact CG1-CG 4.34Å; V756-L760 VanDerWaalsContact O-CB 3.31Å; V756-L760 WeakPolarHBondContact O-CB 3.42Å; V756-L760 VanDerWaalsContact O-CD1 3.29Å; V756-L760 WeakPolarHBondContact O-CD1 3.48Å; V756-L760 WeakPolarHBondContact O-CG 3.42Å; V756-L760 PolarHBondContact O-N 2.89Å; V756-L760 VanDerWaalsContact O-N 3.15Å; V756-M780 HydrophobicContact CB-CE 3.92Å; V756-M780 HydrophobicContact CG1-CE 3.51Å |
| 757 | K | 87.6 | Confident | 83.4 | Confident | 86 Ų | 86 | 63.1 Ų | 63.1 | 37% | 0.374 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -62.7 | -44.2 | 176 | 170 | -170.8 | 169.8 | -161.8 | 0 | 111.5 | L753 N754 R755 L760 Q761 V766 F769 M780 | L753-K757 WeakPolarHBondContact O-CB 3.49Å; L753-K757 PolarHBondContact O-N 3.49Å; N754-K757 WeakPolarHBondContact O-CB 3.37Å; N754-K757 PolarHBondContact O-N 3.23Å; N754-K757 VanDerWaalsContact O-N 3.1Å; R755-K757 VanDerWaalsContact C-N 3.33Å; R755-K757 PolarHBondContact O-N 3.23Å; K757-L760 CarbonylContact O-C 3.42Å; K757-L760 PolarHBondContact O-N 2.95Å; K757-Q761 PolarHBondContact O-N 3.36Å; K757-V766 HydrophobicContact CG-CG2 4.09Å; K757-F769 HydrophobicContact CB-CE2 4.17Å; K757-F769 HydrophobicContact CD-CD2 4.3Å; K757-F769 HydrophobicContact CD-CE2 3.83Å; K757-F769 HydrophobicContact CD-CZ 4.42Å; K757-M780 HydrophobicContact CB-SD 4.27Å |
| 758 | D | 87.6 | Confident | 83.6 | Confident | 94 Ų | 94 | 58.2 Ų | 58.2 | 50% | 0.503 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -68.5 | -44.5 | -179.2 | -65.3 | -18.5 | 0 | 0 | 0 | 110.8 | N754 R755 L760 Q761 | N754-D758 WeakPolarHBondContact O-CB 3.41Å; N754-D758 PolarHBondContact O-N 2.93Å; R755-D758 PolarHBondContact O-N 3.43Å; D758-L760 PolarHBondContact O-N 3.44Å; D758-L760 VanDerWaalsContact O-N 3.16Å; D758-Q761 WeakPolarHBondContact O-CB 3.25Å; D758-Q761 PolarHBondContact O-N 3.03Å |
| 759 | D | 86.7 | Confident | 83.8 | Confident | 70 Ų | 70 | 58.2 Ų | 58.2 | 37% | 0.374 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -63.3 | -22.2 | 175.8 | -73.5 | -24.3 | 0 | 0 | 0 | 113.3 | Y715 L719 R755 | Y715-D759 WeakPolarHBondContact CE1-OD2 3.46Å; Y715-D759 VanDerWaalsContact CZ-OD2 3.25Å; Y715-D759 PolarHBondContact OH-OD2 3.07Å; L719-D759 HydrophobicContact CD1-CB 3.96Å; L719-D759 HydrophobicContact CD2-CB 4Å; R755-D759 WeakPolarHBondContact O-CB 3.3Å; R755-D759 PolarHBondContact O-N 2.85Å |
| 760 | L | 83.9 | Confident | 83.9 | Confident | 3 Ų | 3 | 58.9 Ų | 58.9 | 2% | 0.016 | 30% | 0.296 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -102.1 | -3.5 | 179 | -65.7 | 171.8 | 0 | 0 | 0 | 114.4 | L719 L722 I723 L726 V756 K757 D758 E762 L763 A764 V782 | L719-L760 HydrophobicContact CD1-CD2 4.04Å; L719-L760 HydrophobicContact CD1-CG 4.3Å; L722-L760 HydrophobicContact CD2-CD1 3.16Å; L722-L760 HydrophobicContact CD2-CD2 3.33Å; L722-L760 HydrophobicContact CD2-CG 3.8Å; I723-L760 HydrophobicContact CG1-CD2 4.32Å; L726-L760 HydrophobicContact CD1-CD2 4.03Å; V756-L760 HydrophobicContact CG1-CD1 3.61Å; V756-L760 HydrophobicContact CG1-CG 4.34Å; V756-L760 VanDerWaalsContact O-CB 3.31Å; V756-L760 WeakPolarHBondContact O-CB 3.42Å; V756-L760 VanDerWaalsContact O-CD1 3.29Å; V756-L760 WeakPolarHBondContact O-CD1 3.48Å; V756-L760 WeakPolarHBondContact O-CG 3.42Å; V756-L760 PolarHBondContact O-N 2.89Å; V756-L760 VanDerWaalsContact O-N 3.15Å; K757-L760 CarbonylContact O-C 3.42Å; K757-L760 PolarHBondContact O-N 2.95Å; D758-L760 PolarHBondContact O-N 3.44Å; D758-L760 VanDerWaalsContact O-N 3.16Å; L760-E762 PolarHBondContact O-N 3.41Å; L760-L763 PolarHBondContact O-N 3.37Å; L760-A764 HydrophobicContact CB-CB 4.08Å; L760-A764 PolarHBondContact O-N 3.07Å; L760-V782 HydrophobicContact CD1-CG1 4.35Å; L760-V782 HydrophobicContact CD1-CG2 4.33Å |
| 761 | Q | 78.3 | Confident | 83.4 | Confident | 149 Ų | 149 | 62.5 Ų | 62.5 | 70% | 0.696 | 32% | 0.322 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.6 | -32.7 | -171.3 | -172.9 | 178.7 | 5.4 | 0 | 0 | 112.7 | K757 D758 | K757-Q761 PolarHBondContact O-N 3.36Å; D758-Q761 WeakPolarHBondContact O-CB 3.25Å; D758-Q761 PolarHBondContact O-N 3.03Å |
| 762 | E | 69.6 | Low | 82.8 | Confident | 94 Ų | 94 | 65.1 Ų | 65.1 | 44% | 0.439 | 33% | 0.332 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -89.2 | -14 | 179.9 | -53.1 | -173.6 | 143.8 | 0 | 0 | 114.4 | L760 P838 R839 | L760-E762 PolarHBondContact O-N 3.41Å; E762-P838 HydrophobicContact CB-CB 3.54Å; E762-P838 WeakPolarHBondContact O-CG 3.18Å; E762-P838 WeakPolarHBondContact OE2-CA 3.34Å; E762-R839 PolarHBondContact OE2-N 2.92Å |
| 763 | L | 68.6 | Low | 82.4 | Confident | 51 Ų | 51 | 66.3 Ų | 66.3 | 27% | 0.267 | 34% | 0.337 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -114.6 | -23.8 | -171.5 | -67.6 | 170.5 | 0 | 0 | 0 | 113.5 | I723 L760 A785 P838 | I723-L763 HydrophobicContact CD1-CD1 4.03Å; I723-L763 HydrophobicContact CG1-CD1 3.93Å; I723-L763 HydrophobicContact CG2-CD1 4.29Å; L760-L763 PolarHBondContact O-N 3.37Å; L763-A785 WeakPolarHBondContact O-CB 3.43Å; L763-A785 PolarHBondContact O-N 3.28Å; L763-P838 HydrophobicContact CD2-CB 3.67Å; L763-P838 HydrophobicContact CD2-CG 3.74Å; L763-P838 HydrophobicContact CG-CB 4.13Å |
| 764 | A | 76.7 | Confident | 81.5 | Confident | 12 Ų | 12 | 73 Ų | 73 | 10% | 0.099 | 37% | 0.368 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.5 | 158.7 | -172.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | L726 L760 V782 R783 | L726-A764 HydrophobicContact CD1-CB 3.79Å; L726-A764 HydrophobicContact CD2-CB 4.39Å; L760-A764 HydrophobicContact CB-CB 4.08Å; L760-A764 PolarHBondContact O-N 3.07Å; A764-V782 HydrophobicContact CB-CB 4.15Å; A764-R783 CarbonylContact C-O 3.5Å; A764-R783 WeakPolarHBondContact CA-O 3.32Å; A764-R783 WeakPolarHBondContact CB-O 3.32Å |
| 765 | V | 79.9 | Confident | 81 | Confident | 65 Ų | 65 | 73.4 Ų | 73.4 | 39% | 0.394 | 39% | 0.386 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.6 | 128.4 | 166.8 | 178.9 | 0 | 0 | 0 | 0 | 107.2 | E767 V782 R783 | V765-E767 PolarHBondContact O-N 2.71Å; V765-V782 WeakPolarHBondContact O-CA 3.26Å; V765-R783 HydrophobicContact CB-CG 4.04Å; V765-R783 PolarHBondContact N-O 3.2Å; V765-R783 PolarHBondContact O-N 3.4Å |
| 766 | V | 85.4 | Confident | 80.6 | Confident | 53 Ų | 53 | 76.2 Ų | 76.2 | 32% | 0.321 | 40% | 0.396 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.5 | 117.8 | 171.7 | -177.9 | 0 | 0 | 0 | 0 | 108.6 | K757 S768 F769 M780 V782 | K757-V766 HydrophobicContact CG-CG2 4.09Å; V766-S768 WeakPolarHBondContact CG1-O 3.37Å; V766-F769 HydrophobicContact CG1-CB 4.06Å; V766-F769 HydrophobicContact CG1-CD2 4.13Å; V766-M780 HydrophobicContact CG1-CG 4.19Å; V766-M780 HydrophobicContact CG1-SD 4.47Å; V766-M780 HydrophobicContact CG2-SD 4.37Å; V766-V782 HydrophobicContact CG2-CG1 4.16Å |
| 767 | E | 83.2 | Confident | 80.5 | Confident | 79 Ų | 79 | 79 Ų | 79 | 37% | 0.369 | 41% | 0.409 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.3 | -37.4 | 172.9 | -74.8 | -167.8 | 149.9 | 0 | 0 | 111.3 | K731 V765 T781 R783 | K731-E767 VanDerWaalsContact CE-OE1 3.28Å; K731-E767 WeakPolarHBondContact CE-OE1 3.15Å; K731-E767 WeakPolarHBondContact CE-OE2 3.25Å; K731-E767 IonicContact NZ-OE1 3.98Å; K731-E767 PolarHBondContact NZ-OE1 3.45Å; K731-E767 IonicContact NZ-OE2 3.07Å; K731-E767 PolarHBondContact NZ-OE2 3.12Å; V765-E767 PolarHBondContact O-N 2.71Å; E767-T781 HydrophobicContact CB-CG2 4.4Å; E767-T781 PolarHBondContact N-O 3.31Å; E767-R783 HydrophobicContact CG-CB 4.09Å; E767-R783 HydrophobicContact CG-CG 3.85Å; E767-R783 VanDerWaalsContact OE1-CD 3.32Å; E767-R783 WeakPolarHBondContact OE1-CD 3.09Å |
| 768 | S | 86.1 | Confident | 80.5 | Confident | 52 Ų | 52 | 75.3 Ų | 75.3 | 36% | 0.364 | 39% | 0.393 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -147 | 135.7 | 177.5 | 72.7 | 0 | 0 | 0 | 0 | 110.5 | V766 M780 T781 | V766-S768 WeakPolarHBondContact CG1-O 3.37Å; S768-M780 CarbonylContact O-C 3.58Å; S768-M780 WeakPolarHBondContact O-CA 3.24Å; S768-M780 WeakPolarHBondContact O-CG 3.33Å; S768-T781 PolarHBondContact N-O 2.97Å; S768-T781 PolarHBondContact O-N 3.47Å; S768-T781 VanDerWaalsContact OG-CB 3.22Å; S768-T781 WeakPolarHBondContact OG-CB 3.43Å; S768-T781 PolarHBondContact OG-N 2.99Å; S768-T781 PolarHBondContact OG-OG1 3.16Å |
| 769 | F | 87.3 | Confident | 80.6 | Confident | 64 Ų | 64 | 72.4 Ų | 72.4 | 28% | 0.281 | 38% | 0.377 | S | S | . | . | trans | -120.4 | 139.3 | 175.3 | -158.2 | -95.5 | 0 | 0 | 0 | 108.4 | M750 L753 N754 K757 V766 T771 M780 | M750-F769 HydrophobicContact SD-CE1 3.65Å; M750-F769 HydrophobicContact SD-CZ 4.17Å; L753-F769 HydrophobicContact CB-CE2 4.35Å; L753-F769 HydrophobicContact CB-CZ 4.11Å; N754-F769 WeakPolarHBondContact OD1-CZ 3.42Å; K757-F769 HydrophobicContact CB-CE2 4.17Å; K757-F769 HydrophobicContact CD-CD2 4.3Å; K757-F769 HydrophobicContact CD-CE2 3.83Å; K757-F769 HydrophobicContact CD-CZ 4.42Å; V766-F769 HydrophobicContact CG1-CB 4.06Å; V766-F769 HydrophobicContact CG1-CD2 4.13Å; F769-T771 PolarHBondContact O-N 2.87Å; F769-M780 HydrophobicContact CD2-CG 4.02Å; F769-M780 HydrophobicContact CD2-SD 3.57Å; F769-M780 VanDerWaalsContact CD2-SD 3.57Å; F769-M780 HydrophobicContact CE2-CG 4.5Å; F769-M780 HydrophobicContact CE2-SD 3.56Å; F769-M780 VanDerWaalsContact CE2-SD 3.56Å | ||
| 770 | P | 83.7 | Confident | 80.8 | Confident | 14 Ų | 14 | 69 Ų | 69 | 9% | 0.091 | 36% | 0.359 | C | S | . | . | trans | -69.7 | 123.9 | -175.1 | 23.7 | -27.2 | 0 | 0 | 0 | 110.7 | L753 M778 I779 | L753-P770 HydrophobicContact CD1-CG 3.51Å; P770-M778 HydrophobicContact CB-CB 4.21Å; P770-M778 HydrophobicContact CG-CB 4.02Å; P770-I779 VanDerWaalsContact CD-O 3.28Å; P770-I779 WeakPolarHBondContact CD-O 3.43Å | ||
| 771 | T | 74.7 | Confident | 81 | Confident | 138 Ų | 138 | 70.2 Ų | 70.2 | 85% | 0.847 | 37% | 0.367 | S | S | * | . | S | Bend | trans | -92.1 | -20.6 | 172.7 | 49.7 | 0 | 0 | 0 | 0 | 112.4 | F769 | F769-T771 PolarHBondContact O-N 2.87Š|
| 772 | K | 75.1 | Confident | 81.5 | Confident | 174 Ų | 174 | 63.1 Ų | 63.1 | 76% | 0.757 | 33% | 0.334 | S | S | * | . | S | Bend | trans | -145 | 162.3 | 175.8 | -63.2 | -175.6 | -178.4 | -179.4 | 0 | 109.8 | ||
| 773 | I | 77.7 | Confident | 82.1 | Confident | 44 Ų | 44 | 64.7 Ų | 64.7 | 23% | 0.226 | 34% | 0.336 | C | S | . | . | trans | -76.2 | 131.2 | 171 | -62.7 | 177.6 | 0 | 0 | 0 | 108.8 | F738 Q746 G775 Q777 M778 | F738-I773 HydrophobicContact CE2-CD1 4.13Å; Q746-I773 HydrophobicContact CB-CD1 4.11Å; Q746-I773 HydrophobicContact CG-CD1 3.61Å; Q746-I773 VanDerWaalsContact OE1-CD1 3.31Å; I773-G775 VanDerWaalsContact CG2-O 3.28Å; I773-G775 WeakPolarHBondContact CG2-O 3.48Å; I773-Q777 WeakPolarHBondContact CG2-O 3.48Å; I773-M778 HydrophobicContact CD1-CE 3.7Å; I773-M778 HydrophobicContact CG1-CE 3.44Å; I773-M778 VanDerWaalsContact CG1-CE 3.44Å; I773-M778 HydrophobicContact CG1-CG 3.92Å | ||
| 774 | E | 71.6 | Confident | 82.1 | Confident | 141 Ų | 141 | 63.7 Ų | 63.7 | 66% | 0.659 | 34% | 0.337 | S | S | * | . | B | Isolated β-bridge | trans | -96.6 | 98.6 | 169.6 | -70.5 | -177.8 | 175.9 | 0 | 0 | 108.8 | R776 Q777 | E774-R776 PolarHBondContact O-N 3.16Å; E774-R776 VanDerWaalsContact O-N 3.12Å; E774-Q777 PolarHBondContact N-O 3.08Å; E774-Q777 PolarHBondContact O-N 3.46Å; E774-Q777 VanDerWaalsContact O-N 3.07Å |
| 775 | G | 78.7 | Confident | 81.5 | Confident | 64 Ų | 64 | 65 Ų | 65 | 66% | 0.66 | 35% | 0.348 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 66.4 | -106.7 | -177.2 | 0 | 0 | 0 | 0 | 0 | 112.8 | I773 | I773-G775 VanDerWaalsContact CG2-O 3.28Å; I773-G775 WeakPolarHBondContact CG2-O 3.48Å |
| 776 | R | 81.9 | Confident | 80.2 | Confident | 153 Ų | 153 | 65.9 Ų | 65.9 | 58% | 0.577 | 36% | 0.362 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -111.4 | 21.1 | 176 | -67 | -175.5 | 175 | 163.3 | -0.2 | 112.2 | R737 F738 M743 E774 | R737-R776 WeakPolarHBondContact CA-O 3.24Å; F738-R776 PolarHBondContact N-O 3.39Å; M743-R776 HydrophobicContact SD-CG 4.05Å; E774-R776 PolarHBondContact O-N 3.16Å; E774-R776 VanDerWaalsContact O-N 3.12Å |
| 777 | Q | 86 | Confident | 78.7 | Confident | 59 Ų | 59 | 70.5 Ų | 70.5 | 28% | 0.276 | 38% | 0.378 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.8 | 148.8 | -170.6 | -55.7 | -178.1 | 2.3 | 0 | 0 | 112.6 | T735 L736 R737 I773 E774 | T735-Q777 HydrophobicContact CG2-CB 4.23Å; T735-Q777 HydrophobicContact CG2-CG 4.38Å; L736-Q777 CarbonylContact O-C 3.55Å; L736-Q777 WeakPolarHBondContact O-CA 3.44Å; R737-Q777 HydrophobicContact CB-CG 4.12Å; R737-Q777 HydrophobicContact CG-CG 4.01Å; I773-Q777 WeakPolarHBondContact CG2-O 3.48Å; E774-Q777 PolarHBondContact N-O 3.08Å; E774-Q777 PolarHBondContact O-N 3.46Å; E774-Q777 VanDerWaalsContact O-N 3.07Å |
| 778 | M | 88.3 | Confident | 77.2 | Confident | 8 Ų | 8 | 75.7 Ų | 75.7 | 4% | 0.039 | 39% | 0.394 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.7 | 139.7 | 164.8 | -71.8 | 171.8 | -179 | 0 | 0 | 108.8 | T735 L736 F738 Q746 L753 P770 I773 | T735-M778 CarbonylContact C-O 3.6Å; T735-M778 WeakPolarHBondContact CA-O 3.33Å; L736-M778 HydrophobicContact CB-CB 4.36Å; L736-M778 PolarHBondContact N-O 2.92Å; L736-M778 PolarHBondContact O-N 3.01Å; F738-M778 HydrophobicContact CE2-CE 3.95Å; F738-M778 HydrophobicContact CE2-CG 3.95Å; F738-M778 HydrophobicContact CE2-SD 3.97Å; F738-M778 HydrophobicContact CZ-CE 3.71Å; F738-M778 HydrophobicContact CZ-CG 4.49Å; F738-M778 HydrophobicContact CZ-SD 3.9Å; Q746-M778 HydrophobicContact CB-CE 4.31Å; L753-M778 HydrophobicContact CD1-CB 3.65Å; L753-M778 HydrophobicContact CD1-CG 4.46Å; L753-M778 HydrophobicContact CD1-SD 4.05Å; P770-M778 HydrophobicContact CB-CB 4.21Å; P770-M778 HydrophobicContact CG-CB 4.02Å; I773-M778 HydrophobicContact CD1-CE 3.7Å; I773-M778 HydrophobicContact CG1-CE 3.44Å; I773-M778 VanDerWaalsContact CG1-CE 3.44Å; I773-M778 HydrophobicContact CG1-CG 3.92Å |
| 779 | I | 88.5 | Confident | 75.9 | Confident | 33 Ų | 33 | 76.5 Ų | 76.5 | 17% | 0.169 | 39% | 0.391 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.3 | 124 | -173.7 | -56 | 178.7 | 0 | 0 | 0 | 110.1 | K733 I734 T735 P770 | K733-I779 HydrophobicContact CD-CG2 4.22Å; K733-I779 HydrophobicContact CG-CG2 3.81Å; I734-I779 CarbonylContact O-C 3.45Å; I734-I779 WeakPolarHBondContact O-CA 3.28Å; T735-I779 HydrophobicContact CG2-CG1 4.41Å; P770-I779 VanDerWaalsContact CD-O 3.28Å; P770-I779 WeakPolarHBondContact CD-O 3.43Å |
| 780 | M | 91.3 | Very high | 74.6 | Confident | 0 Ų | 0 | 80.5 Ų | 80.5 | 0% | 0 | 41% | 0.409 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.4 | 135 | 170.8 | 173.2 | 177.3 | 68.6 | 0 | 0 | 109.6 | I734 L753 V756 K757 V766 S768 F769 V782 | I734-M780 HydrophobicContact CB-CB 4.23Å; I734-M780 HydrophobicContact CB-CE 4.09Å; I734-M780 HydrophobicContact CD1-CE 3.73Å; I734-M780 HydrophobicContact CD1-CG 4.36Å; I734-M780 WeakPolarHBondContact CD1-O 3.45Å; I734-M780 HydrophobicContact CG1-CE 3.86Å; I734-M780 HydrophobicContact CG2-CE 4.32Å; I734-M780 PolarHBondContact N-O 3.33Å; I734-M780 PolarHBondContact O-N 3.39Å; L753-M780 HydrophobicContact CD2-CB 4.05Å; L753-M780 HydrophobicContact CD2-CE 4.19Å; V756-M780 HydrophobicContact CB-CE 3.92Å; V756-M780 HydrophobicContact CG1-CE 3.51Å; K757-M780 HydrophobicContact CB-SD 4.27Å; V766-M780 HydrophobicContact CG1-CG 4.19Å; V766-M780 HydrophobicContact CG1-SD 4.47Å; V766-M780 HydrophobicContact CG2-SD 4.37Å; S768-M780 CarbonylContact O-C 3.58Å; S768-M780 WeakPolarHBondContact O-CA 3.24Å; S768-M780 WeakPolarHBondContact O-CG 3.33Å; F769-M780 HydrophobicContact CD2-CG 4.02Å; F769-M780 HydrophobicContact CD2-SD 3.57Å; F769-M780 VanDerWaalsContact CD2-SD 3.57Å; F769-M780 HydrophobicContact CE2-CG 4.5Å; F769-M780 HydrophobicContact CE2-SD 3.56Å; F769-M780 VanDerWaalsContact CE2-SD 3.56Å; M780-V782 HydrophobicContact CE-CG1 4.24Å; M780-V782 HydrophobicContact CG-CG1 4.08Å; M780-V782 HydrophobicContact SD-CG1 4.22Å |
| 781 | T | 88.8 | Confident | 73.6 | Confident | 28 Ų | 28 | 86.7 Ų | 86.7 | 17% | 0.172 | 43% | 0.434 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113 | 131.6 | 175.7 | -48.6 | 0 | 0 | 0 | 0 | 109.6 | A732 E767 S768 | A732-T781 WeakPolarHBondContact O-CA 3.35Å; E767-T781 HydrophobicContact CB-CG2 4.4Å; E767-T781 PolarHBondContact N-O 3.31Å; S768-T781 PolarHBondContact N-O 2.97Å; S768-T781 PolarHBondContact O-N 3.47Å; S768-T781 VanDerWaalsContact OG-CB 3.22Å; S768-T781 WeakPolarHBondContact OG-CB 3.43Å; S768-T781 PolarHBondContact OG-N 2.99Å; S768-T781 PolarHBondContact OG-OG1 3.16Å |
| 782 | V | 88 | Confident | 73.1 | Confident | 0 Ų | 0 | 81.8 Ų | 81.8 | 0% | 0 | 40% | 0.404 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.3 | 147.8 | 179.2 | -57.5 | 0 | 0 | 0 | 0 | 111.2 | L722 L726 A732 I734 L760 A764 V765 V766 M780 | L722-V782 HydrophobicContact CD2-CG2 4.26Å; L726-V782 HydrophobicContact CD1-CG2 4.45Å; L726-V782 HydrophobicContact CD2-CG2 4.15Å; A732-V782 HydrophobicContact CB-CG2 3.78Å; A732-V782 PolarHBondContact N-O 3.01Å; A732-V782 PolarHBondContact O-N 2.87Å; I734-V782 HydrophobicContact CD1-CB 4.31Å; I734-V782 HydrophobicContact CD1-CG1 3.85Å; I734-V782 HydrophobicContact CD1-CG2 3.57Å; L760-V782 HydrophobicContact CD1-CG1 4.35Å; L760-V782 HydrophobicContact CD1-CG2 4.33Å; A764-V782 HydrophobicContact CB-CB 4.15Å; V765-V782 WeakPolarHBondContact O-CA 3.26Å; V766-V782 HydrophobicContact CG2-CG1 4.16Å; M780-V782 HydrophobicContact CE-CG1 4.24Å; M780-V782 HydrophobicContact CG-CG1 4.08Å; M780-V782 HydrophobicContact SD-CG1 4.22Å |
| 783 | R | 81.9 | Confident | 72.2 | Confident | 127 Ų | 127 | 78 Ų | 78 | 48% | 0.479 | 41% | 0.414 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.1 | 150.1 | 173.4 | 69.1 | 175.8 | -175.6 | 172.1 | -2.2 | 110.4 | K731 A764 V765 E767 A785 | K731-R783 HydrophobicContact CG-CB 4.39Å; A764-R783 CarbonylContact C-O 3.5Å; A764-R783 WeakPolarHBondContact CA-O 3.32Å; A764-R783 WeakPolarHBondContact CB-O 3.32Å; V765-R783 HydrophobicContact CB-CG 4.04Å; V765-R783 PolarHBondContact N-O 3.2Å; V765-R783 PolarHBondContact O-N 3.4Å; E767-R783 HydrophobicContact CG-CB 4.09Å; E767-R783 HydrophobicContact CG-CG 3.85Å; E767-R783 VanDerWaalsContact OE1-CD 3.32Å; E767-R783 WeakPolarHBondContact OE1-CD 3.09Å; R783-A785 PolarHBondContact O-N 3.42Å |
| 784 | G | 70.5 | Confident | 71.5 | Confident | 29 Ų | 29 | 85.9 Ų | 85.9 | 30% | 0.299 | 45% | 0.447 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -60.7 | 137.2 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112 | L726 A786 | L726-G784 VanDerWaalsContact CD2-N 3.32Å; G784-A786 PolarHBondContact O-N 3.05Å |
| 785 | A | 62.4 | Low | 71.2 | Confident | 41 Ų | 41 | 81.1 Ų | 81.1 | 34% | 0.339 | 44% | 0.436 | S | S | . | . | trans | -62.5 | 124.8 | 173.9 | 0 | 0 | 0 | 0 | 0 | 109.6 | L763 R783 K787 | L763-A785 WeakPolarHBondContact O-CB 3.43Å; L763-A785 PolarHBondContact O-N 3.28Å; R783-A785 PolarHBondContact O-N 3.42Å; A785-K787 PolarHBondContact O-N 2.92Å | ||
| 786 | A | 53.2 | Low | 70.6 | Confident | 83 Ų | 83 | 78.8 Ų | 78.8 | 69% | 0.686 | 41% | 0.411 | S | S | * | . | trans | -61.6 | 113.3 | -179.4 | 0 | 0 | 0 | 0 | 0 | 109.3 | G784 R788 | G784-A786 PolarHBondContact O-N 3.05Å; A786-R788 PolarHBondContact O-N 3.4Å | ||
| 787 | K | 53.6 | Low | 70 | Confident | 150 Ų | 150 | 71.9 Ų | 71.9 | 65% | 0.652 | 39% | 0.386 | S | S | * | . | trans | -60.8 | 91.5 | -176.9 | -64.7 | -177.4 | 180 | 178.6 | 0 | 111 | A785 | A785-K787 PolarHBondContact O-N 2.92Š| ||
| 788 | R | 51.9 | Low | 69.1 | Low | 188 Ų | 188 | 73.1 Ų | 73.1 | 71% | 0.709 | 39% | 0.39 | S | S | * | . | trans | -74.4 | -27.7 | 179 | -71.1 | -177.7 | -171.8 | -176.6 | 2.6 | 112.9 | A786 H799 K800 | A786-R788 PolarHBondContact O-N 3.4Å; R788-H799 CarbonylContact O-C 3.59Å; R788-H799 WeakPolarHBondContact O-CA 3.44Å; R788-K800 PolarHBondContact O-N 3.17Å | ||
| 789 | F | 59.5 | Low | 68 | Low | 69 Ų | 69 | 76.5 Ų | 76.5 | 30% | 0.303 | 41% | 0.405 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.9 | 145.8 | -174.6 | -55.8 | -79.9 | 0 | 0 | 0 | 112.4 | K798 H799 V825 V833 | F789-K798 CarbonylContact C-O 3.48Å; F789-K798 WeakPolarHBondContact CA-O 3.44Å; F789-H799 HydrophobicContact CD1-CB 3.81Å; F789-H799 HydrophobicContact CE1-CB 3.74Å; F789-V825 HydrophobicContact CD1-CG2 3.89Å; F789-V825 HydrophobicContact CE1-CG2 4.05Å; F789-V833 HydrophobicContact CB-CG1 4.19Å; F789-V833 HydrophobicContact CD1-CG1 4.15Å; F789-V833 HydrophobicContact CD1-CG2 4.35Å; F789-V833 HydrophobicContact CD2-CG1 4.2Å; F789-V833 HydrophobicContact CE1-CG2 4.05Å; F789-V833 HydrophobicContact CE2-CG2 4.4Å; F789-V833 HydrophobicContact CG-CG1 3.91Å; F789-V833 HydrophobicContact CZ-CG2 4.08Å |
| 790 | K | 59.4 | Low | 66.4 | Low | 148 Ų | 148 | 81.2 Ų | 81.2 | 64% | 0.643 | 43% | 0.425 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -125.1 | 117.4 | 177.5 | -179.6 | 174.7 | 179.8 | 174 | 0 | 109.4 | K798 | K790-K798 PolarHBondContact N-O 3Å; K790-K798 PolarHBondContact O-N 3.16Å |
| 791 | K | 63.4 | Low | 64.6 | Low | 144 Ų | 144 | 87.5 Ų | 87.5 | 63% | 0.626 | 45% | 0.454 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -66.1 | 130.4 | 172.2 | -162.2 | 170.9 | -173.3 | 172.5 | 0 | 110.1 | F797 | K791-F797 HydrophobicContact CB-CD1 4.05Å; K791-F797 HydrophobicContact CB-CE1 3.9Å; K791-F797 HydrophobicContact CD-CE1 3.91Å; K791-F797 HydrophobicContact CD-CZ 4.33Å; K791-F797 HydrophobicContact CG-CD1 4.16Å; K791-F797 HydrophobicContact CG-CE1 3.7Å; K791-F797 HydrophobicContact CG-CZ 4.35Å |
| 792 | T | 64.2 | Low | 62.5 | Low | 35 Ų | 35 | 90.4 Ų | 90.4 | 22% | 0.215 | 48% | 0.481 | C | S | . | . | trans | -87.6 | 159.1 | 176.5 | 66.7 | 0 | 0 | 0 | 0 | 110.4 | K794 G795 G796 K798 | T792-K794 PolarHBondContact O-N 3.37Å; T792-G795 PolarHBondContact O-N 2.84Å; T792-G795 VanDerWaalsContact O-N 3.12Å; T792-G796 WeakPolarHBondContact CB-O 3.48Å; T792-G796 WeakPolarHBondContact CG2-O 3.4Å; T792-G796 PolarHBondContact N-O 3.23Å; T792-G796 PolarHBondContact OG1-N 3.37Å; T792-G796 PolarHBondContact OG1-O 2.83Å; T792-K798 HydrophobicContact CG2-CB 4.49Å; T792-K798 HydrophobicContact CG2-CD 3.66Å; T792-K798 HydrophobicContact CG2-CG 3.62Å | ||
| 793 | G | 55.8 | Low | 60.3 | Low | 94 Ų | 94 | 96.9 Ų | 96.9 | 97% | 0.969 | 52% | 0.516 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.6 | -8.6 | 178.4 | 0 | 0 | 0 | 0 | 0 | 115.2 | ||
| 794 | K | 62.8 | Low | 58.2 | Low | 210 Ų | 210 | 99.5 Ų | 99.5 | 91% | 0.913 | 54% | 0.538 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -104.9 | 12.6 | 176.3 | -67.9 | -170.2 | 175.6 | -172.2 | 0 | 113.2 | T792 G796 | T792-K794 PolarHBondContact O-N 3.37Å; K794-G796 PolarHBondContact O-N 3.42Å |
| 795 | G | 65.4 | Low | 56.7 | Low | 41 Ų | 41 | 109.1 Ų | 109.1 | 42% | 0.423 | 57% | 0.565 | S | S | . | * | S | Bend | trans | 89.2 | -16.6 | 177.3 | 0 | 0 | 0 | 0 | 0 | 116 | T792 | T792-G795 PolarHBondContact O-N 2.84Å; T792-G795 VanDerWaalsContact O-N 3.12Å |
| 796 | G | 65.6 | Low | 55.4 | Low | 14 Ų | 14 | 115.5 Ų | 115.5 | 14% | 0.144 | 59% | 0.588 | C | S | . | * | trans | -76.2 | 158.7 | 175.4 | 0 | 0 | 0 | 0 | 0 | 113.9 | T792 K794 | T792-G796 WeakPolarHBondContact CB-O 3.48Å; T792-G796 WeakPolarHBondContact CG2-O 3.4Å; T792-G796 PolarHBondContact N-O 3.23Å; T792-G796 PolarHBondContact OG1-N 3.37Å; T792-G796 PolarHBondContact OG1-O 2.83Å; K794-G796 PolarHBondContact O-N 3.42Å | ||
| 797 | F | 68.4 | Low | 54.7 | Low | 9 Ų | 9 | 117.6 Ų | 117.6 | 4% | 0.039 | 59% | 0.586 | C | S | . | * | E | Extended strand (participates in β ladder) | trans | -104.6 | 141.1 | 177.3 | -60.2 | -81.7 | 0 | 0 | 0 | 111.4 | K791 V825 L830 V833 I834 L837 | K791-F797 HydrophobicContact CB-CD1 4.05Å; K791-F797 HydrophobicContact CB-CE1 3.9Å; K791-F797 HydrophobicContact CD-CE1 3.91Å; K791-F797 HydrophobicContact CD-CZ 4.33Å; K791-F797 HydrophobicContact CG-CD1 4.16Å; K791-F797 HydrophobicContact CG-CE1 3.7Å; K791-F797 HydrophobicContact CG-CZ 4.35Å; F797-V825 HydrophobicContact CB-CB 4.12Å; F797-V825 HydrophobicContact CB-CG2 3.76Å; F797-V825 WeakPolarHBondContact O-CG2 3.23Å; F797-V825 PolarHBondContact O-N 3.1Å; F797-L830 HydrophobicContact CD2-CD2 3.48Å; F797-L830 VanDerWaalsContact CD2-CD2 3.48Å; F797-L830 HydrophobicContact CE2-CD2 3.6Å; F797-V833 HydrophobicContact CB-CG1 4.03Å; F797-V833 HydrophobicContact CD1-CG1 4.14Å; F797-V833 HydrophobicContact CD2-CG1 4.18Å; F797-V833 HydrophobicContact CG-CG1 3.84Å; F797-I834 HydrophobicContact CE2-CD1 4.28Å; F797-I834 HydrophobicContact CE2-CG1 3.71Å; F797-I834 HydrophobicContact CZ-CG1 3.89Å; F797-L837 HydrophobicContact CD1-CD1 3.72Å; F797-L837 HydrophobicContact CE1-CD1 3.09Å; F797-L837 HydrophobicContact CZ-CD1 3.67Å |
| 798 | K | 68.3 | Low | 54 | Low | 85 Ų | 85 | 118.4 Ų | 118.4 | 37% | 0.37 | 60% | 0.597 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -115.2 | 130.9 | 172.9 | -73.8 | -178.1 | 175.7 | -171.9 | 0 | 109.6 | F789 K790 T792 M824 | F789-K798 CarbonylContact C-O 3.48Å; F789-K798 WeakPolarHBondContact CA-O 3.44Å; K790-K798 PolarHBondContact N-O 3Å; K790-K798 PolarHBondContact O-N 3.16Å; T792-K798 HydrophobicContact CG2-CB 4.49Å; T792-K798 HydrophobicContact CG2-CD 3.66Å; T792-K798 HydrophobicContact CG2-CG 3.62Å; K798-M824 HydrophobicContact CG-SD 4.32Å |
| 799 | H | 64.6 | Low | 53.9 | Low | 78 Ų | 78 | 113.5 Ų | 113.5 | 36% | 0.361 | 59% | 0.588 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -79.6 | 146.4 | 172.3 | 73.6 | 95 | 0 | 0 | 0 | 110.9 | R788 F789 A823 | R788-H799 CarbonylContact O-C 3.59Å; R788-H799 WeakPolarHBondContact O-CA 3.44Å; F789-H799 HydrophobicContact CD1-CB 3.81Å; F789-H799 HydrophobicContact CE1-CB 3.74Å; H799-A823 PolarHBondContact CD2-O 3.06Å; H799-A823 WeakPolarHBondContact NE2-CB 3.34Å; H799-A823 PolarHBondContact NE2-N 2.94Å |
| 800 | K | 55.5 | Low | 53.3 | Low | 133 Ų | 133 | 121 Ų | 121 | 58% | 0.578 | 62% | 0.62 | S | S | * | * | trans | -111.8 | 120.2 | -178.6 | -158.1 | -172.5 | -177.5 | -166.4 | 0 | 109.5 | R788 | R788-K800 PolarHBondContact O-N 3.17Š| ||
| 801 | H | 53.9 | Low | 53.2 | Low | 131 Ų | 131 | 119.7 Ų | 119.7 | 61% | 0.606 | 62% | 0.615 | S | S | * | * | trans | 33.3 | 108.4 | 163.5 | -81.1 | -86.5 | 0 | 0 | 0 | 118 | N803 | H801-N803 PolarHBondContact O-N 2.94Š| ||
| 802 | A | 44.6 | Very low | 52.8 | Low | 90 Ų | 90 | 116.2 Ų | 116.2 | 74% | 0.744 | 61% | 0.612 | S | S | * | * | trans | -74.2 | 111.7 | 152 | 0 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 803 | N | 42.1 | Very low | 52.4 | Low | 136 Ų | 136 | 120.1 Ų | 120.1 | 73% | 0.727 | 64% | 0.636 | S | S | * | * | trans | -66.8 | 147.9 | 171.4 | -76.3 | -32.2 | 0 | 0 | 0 | 110.3 | H801 R805 | H801-N803 PolarHBondContact O-N 2.94Å; N803-R805 PolarHBondContact O-N 3.36Å | ||
| 804 | L | 36.5 | Very low | 52.4 | Low | 181 Ų | 181 | 124.4 Ų | 124.4 | 95% | 0.948 | 63% | 0.628 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -57.6 | 23.7 | -173.1 | -77.4 | 156.5 | 0 | 0 | 0 | 117.8 | ||
| 805 | R | 39.9 | Very low | 52.1 | Low | 231 Ų | 231 | 122.9 Ų | 122.9 | 87% | 0.872 | 62% | 0.617 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -121.5 | 3 | -171.4 | -68.6 | -169.3 | 175 | -172.8 | -2.7 | 117.1 | N803 | N803-R805 PolarHBondContact O-N 3.36Š|
| 806 | H | 33.8 | Very low | 51.5 | Low | 175 Ų | 175 | 126.7 Ų | 126.7 | 81% | 0.81 | 62% | 0.622 | S | S | * | * | trans | -150.3 | 42.9 | -174.1 | -103.9 | -74.7 | 0 | 0 | 0 | 116.3 | ||||
| 807 | I | 39.7 | Very low | 50.8 | Low | 127 Ų | 127 | 134.4 Ų | 134.4 | 65% | 0.651 | 65% | 0.647 | S | S | * | * | trans | -113.2 | 107.7 | 167.2 | -77.6 | 176.7 | 0 | 0 | 0 | 109.8 | T809 | I807-T809 VanDerWaalsContact CG2-OG1 3.22Å; I807-T809 WeakPolarHBondContact CG2-OG1 3.41Å; I807-T809 PolarHBondContact O-N 3.08Å | ||
| 808 | L | 38.9 | Very low | 49.9 | Very low | 168 Ų | 168 | 141.6 Ų | 141.6 | 88% | 0.88 | 68% | 0.68 | S | S | * | * | trans | -72.9 | 46.8 | 176.4 | -68 | 164.4 | 0 | 0 | 0 | 112.5 | ||||
| 809 | T | 48.6 | Very low | 49.1 | Very low | 85 Ų | 85 | 144.3 Ų | 144.3 | 52% | 0.521 | 70% | 0.698 | S | S | . | * | trans | -146.7 | 132.1 | 175.1 | 52.6 | 0 | 0 | 0 | 0 | 114.5 | I807 K811 | I807-T809 VanDerWaalsContact CG2-OG1 3.22Å; I807-T809 WeakPolarHBondContact CG2-OG1 3.41Å; I807-T809 PolarHBondContact O-N 3.08Å; T809-K811 VanDerWaalsContact C-N 3.31Å; T809-K811 PolarHBondContact O-N 3.01Å | ||
| 810 | K | 48 | Very low | 48.4 | Very low | 226 Ų | 226 | 149.3 Ų | 149.3 | 98% | 0.983 | 71% | 0.713 | S | S | * | * | trans | -72.5 | 60.6 | 177.5 | -73 | -177.4 | 173.7 | 178.5 | 0 | 113.4 | ||||
| 811 | K | 56.3 | Low | 48.3 | Very low | 121 Ų | 121 | 147.2 Ų | 147.2 | 53% | 0.526 | 71% | 0.713 | S | S | . | * | trans | -95.9 | 139.5 | 176.1 | -67.6 | -171.8 | -179.1 | 178 | 0 | 113.1 | T809 K816 | T809-K811 VanDerWaalsContact C-N 3.31Å; T809-K811 PolarHBondContact O-N 3.01Å; K811-K816 WeakPolarHBondContact O-CE 3.34Å | ||
| 812 | A | 56.3 | Low | 48.6 | Very low | 70 Ų | 70 | 148.2 Ų | 148.2 | 58% | 0.579 | 72% | 0.716 | S | S | * | * | trans | -62.7 | 151.8 | -176.1 | 0 | 0 | 0 | 0 | 0 | 114.6 | K814 R815 K816 | A812-K814 VanDerWaalsContact C-N 3.25Å; A812-K814 PolarHBondContact O-N 3.22Å; A812-K814 VanDerWaalsContact O-N 3.15Å; A812-R815 PolarHBondContact O-N 3.07Å; A812-K816 PolarHBondContact O-N 2.97Å | ||
| 813 | T | 55.5 | Low | 49.5 | Very low | 117 Ų | 117 | 146 Ų | 146 | 72% | 0.718 | 70% | 0.698 | S | S | * | * | H | α-helix | trans | -57.2 | -31.4 | -172.3 | -37.4 | 0 | 0 | 0 | 0 | 113.8 | K816 | T813-K816 PolarHBondContact O-N 3.32Å |
| 814 | K | 55.4 | Low | 50.8 | Low | 185 Ų | 185 | 145.1 Ų | 145.1 | 80% | 0.804 | 69% | 0.691 | S | S | * | * | H | α-helix | trans | -62.8 | -43 | 174.7 | -115.2 | 176.9 | 178.9 | 175.6 | 0 | 112.4 | A812 R817 | A812-K814 VanDerWaalsContact C-N 3.25Å; A812-K814 PolarHBondContact O-N 3.22Å; A812-K814 VanDerWaalsContact O-N 3.15Å; K814-R817 WeakPolarHBondContact O-CB 3.45Å; K814-R817 PolarHBondContact O-N 3.48Å |
| 815 | R | 55.9 | Low | 52.3 | Low | 177 Ų | 177 | 137.6 Ų | 137.6 | 67% | 0.668 | 65% | 0.652 | S | S | * | * | H | α-helix | trans | -71.8 | -28 | 177.1 | -77.4 | -170.5 | -178.2 | -172 | -0 | 112.8 | A812 R817 H818 | A812-R815 PolarHBondContact O-N 3.07Å; R815-R817 PolarHBondContact O-N 2.87Å; R815-H818 PolarHBondContact O-N 3.13Å |
| 816 | K | 54.3 | Low | 53.7 | Low | 121 Ų | 121 | 129.2 Ų | 129.2 | 53% | 0.526 | 63% | 0.629 | S | S | . | * | H | α-helix | trans | -64.3 | -21 | 173.7 | -65.2 | -179.3 | 178.5 | 167.9 | 0 | 113 | K811 A812 T813 | K811-K816 WeakPolarHBondContact O-CE 3.34Å; A812-K816 PolarHBondContact O-N 2.97Å; T813-K816 PolarHBondContact O-N 3.32Å |
| 817 | R | 49.8 | Very low | 55.5 | Low | 177 Ų | 177 | 130.2 Ų | 130.2 | 67% | 0.668 | 63% | 0.631 | S | S | * | * | H | α-helix | trans | -75.1 | -29.3 | -179.5 | -130 | 176.8 | -176.3 | 179.5 | -2 | 112.9 | K814 R815 R820 | K814-R817 WeakPolarHBondContact O-CB 3.45Å; K814-R817 PolarHBondContact O-N 3.48Å; R815-R817 PolarHBondContact O-N 2.87Å; R817-R820 WeakPolarHBondContact O-CG 3.41Å |
| 818 | H | 50.9 | Low | 57 | Low | 160 Ų | 160 | 127.4 Ų | 127.4 | 74% | 0.741 | 63% | 0.634 | S | S | * | * | H | α-helix | trans | -79.6 | -14.5 | 177.3 | -71.2 | -77.6 | 0 | 0 | 0 | 114.2 | R815 R820 P821 | R815-H818 PolarHBondContact O-N 3.13Å; H818-R820 VanDerWaalsContact C-N 3.3Å; H818-R820 PolarHBondContact O-N 3.05Å; H818-P821 WeakPolarHBondContact O-CD 3.44Å |
| 819 | L | 50.5 | Low | 58.3 | Low | 141 Ų | 141 | 123.2 Ų | 123.2 | 74% | 0.738 | 61% | 0.612 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -88.6 | 7.2 | 177.7 | -66.5 | 168.4 | 0 | 0 | 0 | 113.5 | ||
| 820 | R | 50 | Low | 59 | Low | 183 Ų | 183 | 121.7 Ų | 121.7 | 69% | 0.691 | 60% | 0.601 | S | S | * | * | trans | -79.4 | -18.4 | 179.6 | -66.2 | 179.2 | 174 | -168 | -3.8 | 117 | R817 H818 | R817-R820 WeakPolarHBondContact O-CG 3.41Å; H818-R820 VanDerWaalsContact C-N 3.3Å; H818-R820 PolarHBondContact O-N 3.05Å | ||
| 821 | P | 54.4 | Low | 59.8 | Low | 89 Ų | 89 | 113.5 Ų | 113.5 | 58% | 0.578 | 58% | 0.58 | S | S | * | * | S | Bend | trans | -84.9 | 150.7 | -174.2 | 31.4 | -30.7 | 0 | 0 | 0 | 113.2 | H818 A823 | H818-P821 WeakPolarHBondContact O-CD 3.44Å; P821-A823 PolarHBondContact O-N 3.39Å |
| 822 | K | 58.6 | Low | 60.1 | Low | 152 Ų | 152 | 113.8 Ų | 113.8 | 66% | 0.661 | 59% | 0.586 | S | S | * | * | trans | -70.4 | 108.2 | 167.8 | -65.9 | 168.7 | -177.2 | 161.7 | 0 | 108.5 | ||||
| 823 | A | 63.7 | Low | 60.4 | Low | 45 Ų | 45 | 110.9 Ų | 110.9 | 37% | 0.372 | 56% | 0.562 | S | S | . | * | P | Polyproline II helix | trans | -94.4 | 155.7 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | H799 P821 | H799-A823 PolarHBondContact CD2-O 3.06Å; H799-A823 WeakPolarHBondContact NE2-CB 3.34Å; H799-A823 PolarHBondContact NE2-N 2.94Å; P821-A823 PolarHBondContact O-N 3.39Å |
| 824 | M | 69.5 | Low | 60.7 | Low | 116 Ų | 116 | 110.2 Ų | 110.2 | 57% | 0.571 | 55% | 0.553 | S | S | * | * | B | Isolated β-bridge | trans | -73.1 | 140.5 | 168.1 | -78.1 | -83.8 | -70.4 | 0 | 0 | 109 | K798 | K798-M824 HydrophobicContact CG-SD 4.32Å |
| 825 | V | 67.6 | Low | 60.6 | Low | 23 Ų | 23 | 105.5 Ų | 105.5 | 14% | 0.139 | 55% | 0.548 | C | S | . | . | P | Polyproline II helix | trans | -62 | 136.3 | 167.4 | 176.1 | 0 | 0 | 0 | 0 | 108.2 | F789 F797 D829 V833 | F789-V825 HydrophobicContact CD1-CG2 3.89Å; F789-V825 HydrophobicContact CE1-CG2 4.05Å; F797-V825 HydrophobicContact CB-CB 4.12Å; F797-V825 HydrophobicContact CB-CG2 3.76Å; F797-V825 WeakPolarHBondContact O-CG2 3.23Å; F797-V825 PolarHBondContact O-N 3.1Å; V825-D829 HydrophobicContact CG1-CB 3.68Å; V825-V833 HydrophobicContact CG1-CB 4.48Å; V825-V833 HydrophobicContact CG1-CG2 3.84Å; V825-V833 HydrophobicContact CG2-CG2 4.39Å |
| 826 | S | 70.8 | Confident | 60.4 | Low | 56 Ų | 56 | 101.7 Ų | 101.7 | 39% | 0.392 | 55% | 0.548 | S | S | . | . | P | Polyproline II helix | trans | -60.3 | 156.5 | 179.1 | 87.7 | 0 | 0 | 0 | 0 | 110.8 | G828 D829 | S826-G828 PolarHBondContact O-N 3.28Å; S826-G828 PolarHBondContact OG-N 3.49Å; S826-D829 WeakPolarHBondContact CB-OD2 3.33Å; S826-D829 PolarHBondContact O-N 3Å; S826-D829 PolarHBondContact OG-N 3.49Å; S826-D829 PolarHBondContact OG-OD2 2.9Å |
| 827 | K | 70.7 | Confident | 60.4 | Low | 195 Ų | 195 | 98.6 Ų | 98.6 | 85% | 0.848 | 54% | 0.536 | S | S | * | . | S | Bend | trans | -62.7 | -29.9 | 176.8 | -87.5 | -174.3 | 177.4 | -179.6 | 0 | 112.6 | L830 | K827-L830 HydrophobicContact CB-CD1 4.4Å; K827-L830 HydrophobicContact CG-CD1 4.22Å; K827-L830 WeakPolarHBondContact O-CB 3.46Å |
| 828 | G | 71 | Confident | 60.1 | Low | 68 Ų | 68 | 92.5 Ų | 92.5 | 70% | 0.701 | 52% | 0.52 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.9 | -32.5 | 178.1 | 0 | 0 | 0 | 0 | 0 | 113.4 | S826 L830 | S826-G828 PolarHBondContact O-N 3.28Å; S826-G828 PolarHBondContact OG-N 3.49Å; G828-L830 VanDerWaalsContact C-N 3.31Å; G828-L830 PolarHBondContact O-N 3Å |
| 829 | D | 66.6 | Low | 59.7 | Low | 80 Ų | 80 | 95.8 Ų | 95.8 | 43% | 0.428 | 53% | 0.526 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -86.9 | -0.5 | -178 | -57.2 | -46.9 | 0 | 0 | 0 | 113.5 | V825 S826 G831 L832 V833 | V825-D829 HydrophobicContact CG1-CB 3.68Å; S826-D829 WeakPolarHBondContact CB-OD2 3.33Å; S826-D829 PolarHBondContact O-N 3Å; S826-D829 PolarHBondContact OG-N 3.49Å; S826-D829 PolarHBondContact OG-OD2 2.9Å; D829-G831 VanDerWaalsContact C-N 3.32Å; D829-G831 PolarHBondContact O-N 3.18Å; D829-L832 PolarHBondContact O-N 2.85Å; D829-V833 WeakPolarHBondContact O-CG2 3.39Å; D829-V833 PolarHBondContact O-N 3.32Å |
| 830 | L | 64.1 | Low | 59.2 | Low | 54 Ų | 54 | 93.2 Ų | 93.2 | 28% | 0.283 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -57.8 | -42.8 | -178.7 | -93.4 | 161.5 | 0 | 0 | 0 | 112.3 | F797 K827 G828 V833 I834 | F797-L830 HydrophobicContact CD2-CD2 3.48Å; F797-L830 VanDerWaalsContact CD2-CD2 3.48Å; F797-L830 HydrophobicContact CE2-CD2 3.6Å; K827-L830 HydrophobicContact CB-CD1 4.4Å; K827-L830 HydrophobicContact CG-CD1 4.22Å; K827-L830 WeakPolarHBondContact O-CB 3.46Å; G828-L830 VanDerWaalsContact C-N 3.31Å; G828-L830 PolarHBondContact O-N 3Å; L830-V833 PolarHBondContact O-N 2.96Å; L830-I834 HydrophobicContact CD2-CD1 4.47Å; L830-I834 WeakPolarHBondContact O-CB 3.35Å; L830-I834 WeakPolarHBondContact O-CD1 3.36Å; L830-I834 WeakPolarHBondContact O-CG1 3.32Å; L830-I834 PolarHBondContact O-N 2.72Å |
| 831 | G | 64.2 | Low | 58.6 | Low | 53 Ų | 53 | 93.2 Ų | 93.2 | 55% | 0.546 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -63.1 | -45.8 | -179.2 | 0 | 0 | 0 | 0 | 0 | 112.7 | D829 V833 I834 A835 | D829-G831 VanDerWaalsContact C-N 3.32Å; D829-G831 PolarHBondContact O-N 3.18Å; G831-V833 PolarHBondContact O-N 3.21Å; G831-I834 PolarHBondContact O-N 2.84Å; G831-A835 PolarHBondContact O-N 3.39Å; G831-A835 VanDerWaalsContact O-N 3.15Å |
| 832 | L | 62.5 | Low | 57.6 | Low | 127 Ų | 127 | 97.5 Ų | 97.5 | 67% | 0.665 | 55% | 0.547 | S | S | * | . | H | α-helix | trans | -64.2 | -40.4 | 177.5 | -70.1 | 167.1 | 0 | 0 | 0 | 111.9 | D829 A835 C836 | D829-L832 PolarHBondContact O-N 2.85Å; L832-A835 PolarHBondContact O-N 3.14Å; L832-C836 PolarHBondContact O-N 2.9Å; L832-C836 PolarHBondContact O-SG 2.98Å |
| 833 | V | 62.1 | Low | 56.5 | Low | 10 Ų | 10 | 94.1 Ų | 94.1 | 6% | 0.061 | 55% | 0.547 | C | S | . | . | H | α-helix | trans | -73.4 | -34.1 | 179.8 | 173.8 | 0 | 0 | 0 | 0 | 112.3 | F789 F797 V825 D829 L830 G831 A835 C836 L837 | F789-V833 HydrophobicContact CB-CG1 4.19Å; F789-V833 HydrophobicContact CD1-CG1 4.15Å; F789-V833 HydrophobicContact CD1-CG2 4.35Å; F789-V833 HydrophobicContact CD2-CG1 4.2Å; F789-V833 HydrophobicContact CE1-CG2 4.05Å; F789-V833 HydrophobicContact CE2-CG2 4.4Å; F789-V833 HydrophobicContact CG-CG1 3.91Å; F789-V833 HydrophobicContact CZ-CG2 4.08Å; F797-V833 HydrophobicContact CB-CG1 4.03Å; F797-V833 HydrophobicContact CD1-CG1 4.14Å; F797-V833 HydrophobicContact CD2-CG1 4.18Å; F797-V833 HydrophobicContact CG-CG1 3.84Å; V825-V833 HydrophobicContact CG1-CB 4.48Å; V825-V833 HydrophobicContact CG1-CG2 3.84Å; V825-V833 HydrophobicContact CG2-CG2 4.39Å; D829-V833 WeakPolarHBondContact O-CG2 3.39Å; D829-V833 PolarHBondContact O-N 3.32Å; L830-V833 PolarHBondContact O-N 2.96Å; G831-V833 PolarHBondContact O-N 3.21Å; V833-A835 VanDerWaalsContact C-N 3.32Å; V833-C836 PolarHBondContact O-N 3.29Å; V833-L837 HydrophobicContact CG1-CD1 4.4Å; V833-L837 WeakPolarHBondContact O-CD1 3.31Å; V833-L837 WeakPolarHBondContact O-CG 3.43Å |
| 834 | I | 62.5 | Low | 55.3 | Low | 103 Ų | 103 | 101.6 Ų | 101.6 | 53% | 0.528 | 57% | 0.566 | S | S | . | * | H | α-helix | trans | -64.1 | -39.2 | 173.9 | -72.8 | 165.3 | 0 | 0 | 0 | 110.7 | F797 L830 G831 C836 L837 | F797-I834 HydrophobicContact CE2-CD1 4.28Å; F797-I834 HydrophobicContact CE2-CG1 3.71Å; F797-I834 HydrophobicContact CZ-CG1 3.89Å; L830-I834 HydrophobicContact CD2-CD1 4.47Å; L830-I834 WeakPolarHBondContact O-CB 3.35Å; L830-I834 WeakPolarHBondContact O-CD1 3.36Å; L830-I834 WeakPolarHBondContact O-CG1 3.32Å; L830-I834 PolarHBondContact O-N 2.72Å; G831-I834 PolarHBondContact O-N 2.84Å; I834-C836 VanDerWaalsContact C-N 3.25Å; I834-C836 PolarHBondContact O-N 2.98Å; I834-L837 PolarHBondContact O-N 3.32Å |
| 835 | A | 53.4 | Low | 54.1 | Low | 85 Ų | 85 | 102 Ų | 102 | 70% | 0.702 | 57% | 0.574 | S | S | * | * | H | α-helix | trans | -67.6 | -20.9 | 177.5 | 0 | 0 | 0 | 0 | 0 | 113.9 | G831 L832 V833 | G831-A835 PolarHBondContact O-N 3.39Å; G831-A835 VanDerWaalsContact O-N 3.15Å; L832-A835 PolarHBondContact O-N 3.14Å; V833-A835 VanDerWaalsContact C-N 3.32Å |
| 836 | C | 51.8 | Low | 53 | Low | 98 Ų | 98 | 109.9 Ų | 109.9 | 66% | 0.662 | 61% | 0.606 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -97.8 | 9.5 | -178.9 | -63.6 | 0 | 0 | 0 | 0 | 114.6 | L832 V833 I834 | L832-C836 PolarHBondContact O-N 2.9Å; L832-C836 PolarHBondContact O-SG 2.98Å; V833-C836 PolarHBondContact O-N 3.29Å; I834-C836 VanDerWaalsContact C-N 3.25Å; I834-C836 PolarHBondContact O-N 2.98Å |
| 837 | L | 52.5 | Low | 52.1 | Low | 55 Ų | 55 | 113.8 Ų | 113.8 | 29% | 0.288 | 61% | 0.613 | S | S | . | * | S | Bend | trans | -106.9 | 131.1 | -176.9 | -75.9 | 164.8 | 0 | 0 | 0 | 111.5 | F797 V833 I834 R839 | F797-L837 HydrophobicContact CD1-CD1 3.72Å; F797-L837 HydrophobicContact CE1-CD1 3.09Å; F797-L837 HydrophobicContact CZ-CD1 3.67Å; V833-L837 HydrophobicContact CG1-CD1 4.4Å; V833-L837 WeakPolarHBondContact O-CD1 3.31Å; V833-L837 WeakPolarHBondContact O-CG 3.43Å; I834-L837 PolarHBondContact O-N 3.32Å; L837-R839 PolarHBondContact O-N 3.23Å |
| 838 | P | 43.6 | Very low | 51.6 | Low | 49 Ų | 49 | 106.5 Ų | 106.5 | 32% | 0.318 | 59% | 0.593 | S | S | . | * | trans | -57.9 | 129.8 | 175.5 | 14 | -23.3 | 0 | 0 | 0 | 112.1 | E762 L763 A840 | E762-P838 HydrophobicContact CB-CB 3.54Å; E762-P838 WeakPolarHBondContact O-CG 3.18Å; E762-P838 WeakPolarHBondContact OE2-CA 3.34Å; L763-P838 HydrophobicContact CD2-CB 3.67Å; L763-P838 HydrophobicContact CD2-CG 3.74Å; L763-P838 HydrophobicContact CG-CB 4.13Å; P838-A840 PolarHBondContact O-N 2.88Å | ||
| 839 | R | 42.6 | Very low | 51.7 | Low | 229 Ų | 229 | 109.4 Ų | 109.4 | 86% | 0.864 | 60% | 0.597 | S | S | * | * | trans | -67.8 | 66.6 | 172.8 | -71.8 | -176.2 | 176.6 | -172.4 | 1.8 | 110.5 | E762 L837 | E762-R839 PolarHBondContact OE2-N 2.92Å; L837-R839 PolarHBondContact O-N 3.23Å | ||
| 840 | A | 41 | Very low | 52.1 | Low | 87 Ų | 87 | 112.6 Ų | 112.6 | 72% | 0.719 | 61% | 0.612 | S | S | * | * | trans | -98.9 | 90.1 | 170 | 0 | 0 | 0 | 0 | 0 | 110.3 | P838 M842 | P838-A840 PolarHBondContact O-N 2.88Å; A840-M842 PolarHBondContact O-N 3.24Å; A840-M842 VanDerWaalsContact O-N 3.14Å | ||
| 841 | H | 36.1 | Very low | 52.5 | Low | 184 Ų | 184 | 111.8 Ų | 111.8 | 85% | 0.852 | 61% | 0.614 | S | S | * | * | trans | -75.6 | 88.6 | 177.7 | -152.8 | -73.7 | 0 | 0 | 0 | 110.3 | ||||
| 842 | M | 34.3 | Very low | 53.1 | Low | 178 Ų | 178 | 118.1 Ų | 118.1 | 88% | 0.877 | 62% | 0.621 | S | S | * | * | trans | -123.3 | 101.9 | 156 | -79.6 | -161.8 | 76.3 | 0 | 0 | 108.9 | A840 R844 | A840-M842 PolarHBondContact O-N 3.24Å; A840-M842 VanDerWaalsContact O-N 3.14Å; M842-R844 PolarHBondContact O-N 2.76Å | ||
| 843 | A | 35.5 | Very low | 54 | Low | 81 Ų | 81 | 114.8 Ų | 114.8 | 67% | 0.669 | 61% | 0.612 | S | S | * | * | trans | -55.9 | 106.8 | 167.4 | 0 | 0 | 0 | 0 | 0 | 107.8 | V845 | A843-V845 VanDerWaalsContact C-N 3.29Å; A843-V845 PolarHBondContact O-N 3.39Å | ||
| 844 | R | 38.9 | Very low | 55 | Low | 203 Ų | 203 | 121.4 Ų | 121.4 | 77% | 0.766 | 64% | 0.636 | S | S | * | * | trans | -60.5 | 101.4 | 165.2 | -175.7 | -176.7 | -168.8 | -173.7 | 6.5 | 105.6 | M842 K846 | M842-R844 PolarHBondContact O-N 2.76Å; R844-K846 PolarHBondContact O-N 2.97Å | ||
| 845 | V | 44.9 | Very low | 56.2 | Low | 123 Ų | 123 | 118.6 Ų | 118.6 | 75% | 0.745 | 62% | 0.62 | S | S | * | * | trans | -40.5 | 115.2 | 171.4 | 179.5 | 0 | 0 | 0 | 0 | 106.6 | A843 R847 | A843-V845 VanDerWaalsContact C-N 3.29Å; A843-V845 PolarHBondContact O-N 3.39Å; V845-R847 PolarHBondContact O-N 3.07Å | ||
| 846 | K | 43.8 | Very low | 57.8 | Low | 189 Ų | 189 | 122.6 Ų | 122.6 | 82% | 0.822 | 62% | 0.622 | S | S | * | * | trans | -52.3 | 114 | 171.3 | -82.8 | -179.5 | -179.3 | 171.4 | 0 | 104 | R844 G848 | R844-K846 PolarHBondContact O-N 2.97Å; K846-G848 PolarHBondContact O-N 2.91Å | ||
| 847 | R | 52.8 | Low | 59.7 | Low | 139 Ų | 139 | 124.9 Ų | 124.9 | 53% | 0.525 | 62% | 0.62 | S | S | . | * | trans | -43.5 | 115.5 | 178 | -78 | -177.8 | 179.4 | 170 | -0.2 | 107.1 | V845 A851 H855 | V845-R847 PolarHBondContact O-N 3.07Å; R847-A851 HydrophobicContact CB-CB 4.12Å; R847-H855 PolarHBondContact NH1-CE1 2.74Å; R847-H855 VanDerWaalsContact NH1-CE1 3.35Å | ||
| 848 | G | 59.2 | Low | 61.5 | Low | 42 Ų | 42 | 123.2 Ų | 123.2 | 43% | 0.433 | 61% | 0.611 | S | S | . | * | trans | -52.3 | 155.7 | -175.4 | 0 | 0 | 0 | 0 | 0 | 110.6 | K846 I850 A851 R852 | K846-G848 PolarHBondContact O-N 2.91Å; G848-I850 PolarHBondContact O-N 3.45Å; G848-A851 PolarHBondContact O-N 2.9Å; G848-R852 PolarHBondContact O-N 3.37Å | ||
| 849 | V | 73.3 | Confident | 63.7 | Low | 129 Ų | 129 | 123.6 Ų | 123.6 | 78% | 0.782 | 61% | 0.611 | S | S | * | * | H | α-helix | trans | -45.2 | -38.3 | -179.3 | -179.5 | 0 | 0 | 0 | 0 | 111.3 | R852 A853 | V849-R852 PolarHBondContact O-N 2.98Å; V849-A853 WeakPolarHBondContact O-CB 3.36Å; V849-A853 PolarHBondContact O-N 3.41Å |
| 850 | I | 74.6 | Confident | 66 | Low | 147 Ų | 147 | 121 Ų | 121 | 75% | 0.754 | 61% | 0.606 | S | S | * | * | H | α-helix | trans | -57.6 | -49.3 | 176 | -56.7 | 175.9 | 0 | 0 | 0 | 113.2 | G848 R852 A853 R854 | G848-I850 PolarHBondContact O-N 3.45Å; I850-R852 VanDerWaalsContact C-N 3.32Å; I850-R852 PolarHBondContact O-N 3.3Å; I850-A853 PolarHBondContact O-N 3.47Å; I850-R854 WeakPolarHBondContact O-CB 3.21Å; I850-R854 PolarHBondContact O-N 3.38Å |
| 851 | A | 73 | Confident | 68.4 | Low | 37 Ų | 37 | 122 Ų | 122 | 31% | 0.306 | 60% | 0.596 | S | S | . | * | H | α-helix | trans | -68.3 | -33.7 | -178.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | R847 G848 H855 | R847-A851 HydrophobicContact CB-CB 4.12Å; G848-A851 PolarHBondContact O-N 2.9Å; A851-H855 PolarHBondContact O-CD2 2.91Å; A851-H855 PolarHBondContact O-N 3.23Å; A851-H855 VanDerWaalsContact O-N 3.07Å |
| 852 | R | 75.8 | Confident | 71 | Confident | 185 Ų | 185 | 113.3 Ų | 113.3 | 70% | 0.698 | 56% | 0.555 | S | S | * | * | H | α-helix | trans | -69 | -44.1 | 174.6 | -129.2 | 177.5 | -168.8 | 149.1 | -2.4 | 111.3 | G848 V849 I850 H855 K856 | G848-R852 PolarHBondContact O-N 3.37Å; V849-R852 PolarHBondContact O-N 2.98Å; I850-R852 VanDerWaalsContact C-N 3.32Å; I850-R852 PolarHBondContact O-N 3.3Å; R852-H855 PolarHBondContact O-N 3.13Å; R852-K856 WeakPolarHBondContact O-CB 3.36Å; R852-K856 PolarHBondContact O-N 2.85Å |
| 853 | A | 81.3 | Confident | 73.3 | Confident | 57 Ų | 57 | 113.3 Ų | 113.3 | 47% | 0.471 | 55% | 0.55 | S | S | . | * | H | α-helix | trans | -59.5 | -44.8 | 174.3 | 0 | 0 | 0 | 0 | 0 | 111.6 | V849 I850 H855 K856 K857 | V849-A853 WeakPolarHBondContact O-CB 3.36Å; V849-A853 PolarHBondContact O-N 3.41Å; I850-A853 PolarHBondContact O-N 3.47Å; A853-H855 PolarHBondContact O-N 3.13Å; A853-K856 PolarHBondContact O-N 2.69Å; A853-K857 WeakPolarHBondContact O-CB 3.3Å; A853-K857 PolarHBondContact O-N 2.99Å |
| 854 | R | 84.4 | Confident | 75.6 | Confident | 150 Ų | 150 | 112.8 Ų | 112.8 | 57% | 0.566 | 55% | 0.553 | S | S | * | * | H | α-helix | trans | -60.1 | -45.4 | 175.8 | -171.7 | 179.5 | 176.7 | -176.1 | 0.7 | 112.5 | I850 K857 I858 | I850-R854 WeakPolarHBondContact O-CB 3.21Å; I850-R854 PolarHBondContact O-N 3.38Å; R854-K857 PolarHBondContact O-N 2.98Å; R854-I858 PolarHBondContact O-N 2.79Å; R854-I858 VanDerWaalsContact O-N 3.16Å |
| 855 | H | 87.9 | Confident | 77.9 | Confident | 44 Ų | 44 | 106.7 Ų | 106.7 | 20% | 0.204 | 53% | 0.53 | C | S | . | . | H | α-helix | trans | -62 | -44.3 | 175.6 | -88.3 | -134.7 | 0 | 0 | 0 | 112.3 | R847 A851 R852 A853 K857 I858 L859 Y873 | R847-H855 PolarHBondContact NH1-CE1 2.74Å; R847-H855 VanDerWaalsContact NH1-CE1 3.35Å; A851-H855 PolarHBondContact O-CD2 2.91Å; A851-H855 PolarHBondContact O-N 3.23Å; A851-H855 VanDerWaalsContact O-N 3.07Å; R852-H855 PolarHBondContact O-N 3.13Å; A853-H855 PolarHBondContact O-N 3.13Å; H855-K857 VanDerWaalsContact C-N 3.34Å; H855-K857 PolarHBondContact O-N 2.88Å; H855-I858 PolarHBondContact O-N 2.94Å; H855-L859 WeakPolarHBondContact O-CG 3.27Å; H855-L859 PolarHBondContact O-N 3.14Å; H855-Y873 HydrophobicContact CB-CD2 4.07Å; H855-Y873 HydrophobicContact CB-CE2 4.31Å; H855-Y873 AromaticContact CD2-CD2 3.5Å; H855-Y873 AromaticContact CD2-CE1 3.93Å; H855-Y873 AromaticContact CD2-CE2 3.29Å; H855-Y873 WeakPolarHBondContact CD2-CE2 3.24Å; H855-Y873 AromaticContact CD2-CG 3.9Å; H855-Y873 AromaticContact CD2-CZ 3.52Å; H855-Y873 AromaticContact CE1-CD1 3.39Å; H855-Y873 WeakPolarHBondContact CE1-CD1 3.44Å; H855-Y873 AromaticContact CE1-CD2 3.65Å; H855-Y873 AromaticContact CE1-CE1 3.87Å; H855-Y873 AromaticContact CE1-CG 3.25Å; H855-Y873 AromaticContact CG-CD2 3.46Å; H855-Y873 VanDerWaalsContact CG-CD2 3.46Å; H855-Y873 AromaticContact CG-CE2 3.7Å; H855-Y873 AromaticContact CG-CG 3.89Å; H855-Y873 AromaticContact ND1-CD2 3.57Å; H855-Y873 AromaticContact ND1-CG 3.51Å; H855-Y873 AromaticContact NE2-CD1 3.39Å; H855-Y873 WeakPolarHBondContact NE2-CD1 3.42Å; H855-Y873 AromaticContact NE2-CD2 3.67Å; H855-Y873 AromaticContact NE2-CE1 3.36Å; H855-Y873 WeakPolarHBondContact NE2-CE1 3.28Å; H855-Y873 AromaticContact NE2-CE2 3.63Å; H855-Y873 AromaticContact NE2-CG 3.54Å; H855-Y873 AromaticContact NE2-CZ 3.47Å |
| 856 | K | 87.1 | Confident | 79.8 | Confident | 169 Ų | 169 | 110.9 Ų | 110.9 | 74% | 0.735 | 53% | 0.534 | S | S | * | . | H | α-helix | trans | -63.6 | -40.1 | 179.4 | -139 | 179.9 | -175.2 | -173.8 | 0 | 111.1 | R852 A853 L859 K860 | R852-K856 WeakPolarHBondContact O-CB 3.36Å; R852-K856 PolarHBondContact O-N 2.85Å; A853-K856 PolarHBondContact O-N 2.69Å; K856-L859 PolarHBondContact O-N 3.27Å; K856-K860 WeakPolarHBondContact O-CB 3.42Å; K856-K860 PolarHBondContact O-N 3.18Å |
| 857 | K | 91.1 | Very high | 81.9 | Confident | 145 Ų | 145 | 104.2 Ų | 104.2 | 63% | 0.63 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -59.7 | -48.6 | 175.3 | -171.7 | 177 | -177.5 | 176.1 | 0 | 112 | A853 R854 H855 K860 Q861 | A853-K857 WeakPolarHBondContact O-CB 3.3Å; A853-K857 PolarHBondContact O-N 2.99Å; R854-K857 PolarHBondContact O-N 2.98Å; H855-K857 VanDerWaalsContact C-N 3.34Å; H855-K857 PolarHBondContact O-N 2.88Å; K857-K860 PolarHBondContact O-N 3.29Å; K857-Q861 PolarHBondContact O-N 3.33Å; K857-Q861 VanDerWaalsContact O-N 3.15Å |
| 858 | I | 91.1 | Very high | 83.4 | Confident | 20 Ų | 20 | 100.1 Ų | 100.1 | 10% | 0.103 | 52% | 0.515 | C | S | . | . | H | α-helix | trans | -64.6 | -44.7 | 178.3 | -67.3 | -66.6 | 0 | 0 | 0 | 111.5 | R854 H855 K860 Q861 A862 Y873 A876 F877 V880 | R854-I858 PolarHBondContact O-N 2.79Å; R854-I858 VanDerWaalsContact O-N 3.16Å; H855-I858 PolarHBondContact O-N 2.94Å; I858-K860 VanDerWaalsContact C-N 3.32Å; I858-K860 PolarHBondContact O-N 3.06Å; I858-Q861 PolarHBondContact O-N 3.4Å; I858-A862 PolarHBondContact O-N 2.98Å; I858-Y873 HydrophobicContact CB-CD2 4.32Å; I858-Y873 HydrophobicContact CB-CE2 4.04Å; I858-Y873 HydrophobicContact CG1-CE2 4.02Å; I858-Y873 HydrophobicContact CG2-CD2 4.24Å; I858-Y873 HydrophobicContact CG2-CE2 4.21Å; I858-A876 HydrophobicContact CG2-CB 4.2Å; I858-F877 HydrophobicContact CD1-CD2 3.94Å; I858-F877 HydrophobicContact CD1-CE2 4.47Å; I858-F877 HydrophobicContact CG1-CD2 4.24Å; I858-F877 HydrophobicContact CG2-CB 4.23Å; I858-V880 HydrophobicContact CD1-CG1 4.4Å |
| 859 | L | 89.7 | Confident | 84.7 | Confident | 58 Ų | 58 | 105.2 Ų | 105.2 | 30% | 0.304 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -67.1 | -32.5 | 178.9 | -70.4 | 170.2 | 0 | 0 | 0 | 112.5 | H855 K856 A862 K863 S870 A876 | H855-L859 WeakPolarHBondContact O-CG 3.27Å; H855-L859 PolarHBondContact O-N 3.14Å; K856-L859 PolarHBondContact O-N 3.27Å; L859-A862 CarbonylContact O-C 3.57Å; L859-A862 PolarHBondContact O-N 3.11Å; L859-K863 PolarHBondContact O-N 2.85Å; L859-S870 WeakPolarHBondContact CD2-O 3.16Å; L859-A876 HydrophobicContact CD2-CB 4Å |
| 860 | K | 90.7 | Very high | 85.3 | Confident | 175 Ų | 175 | 100.7 Ų | 100.7 | 76% | 0.761 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -63.7 | -41 | 172.4 | -167.2 | 178 | -177.4 | -178.1 | 0 | 111.4 | K856 K857 I858 A862 K863 | K856-K860 WeakPolarHBondContact O-CB 3.42Å; K856-K860 PolarHBondContact O-N 3.18Å; K857-K860 PolarHBondContact O-N 3.29Å; I858-K860 VanDerWaalsContact C-N 3.32Å; I858-K860 PolarHBondContact O-N 3.06Å; K860-A862 VanDerWaalsContact C-N 3.27Å; K860-A862 PolarHBondContact O-N 3.21Å; K860-K863 WeakPolarHBondContact O-CB 3.47Å; K860-K863 PolarHBondContact O-N 3.22Å |
| 861 | Q | 90.6 | Very high | 85.7 | Confident | 108 Ų | 108 | 104 Ų | 104 | 51% | 0.505 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -67.4 | -26.6 | 173.7 | -70.6 | 176.6 | -20.1 | 0 | 0 | 112.9 | K857 I858 V880 | K857-Q861 PolarHBondContact O-N 3.33Å; K857-Q861 VanDerWaalsContact O-N 3.15Å; I858-Q861 PolarHBondContact O-N 3.4Å; Q861-V880 HydrophobicContact CB-CG1 4.14Å; Q861-V880 HydrophobicContact CB-CG2 4.04Å; Q861-V880 VanDerWaalsContact OE1-CG1 3.24Å |
| 862 | A | 90.1 | Very high | 86.5 | Confident | 0 Ų | 0 | 105.6 Ų | 105.6 | 0% | 0 | 50% | 0.504 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -92.9 | 7.6 | 179.8 | 0 | 0 | 0 | 0 | 0 | 114.5 | I858 L859 K860 G864 Y865 S870 A876 V880 | I858-A862 PolarHBondContact O-N 2.98Å; L859-A862 CarbonylContact O-C 3.57Å; L859-A862 PolarHBondContact O-N 3.11Å; K860-A862 VanDerWaalsContact C-N 3.27Å; K860-A862 PolarHBondContact O-N 3.21Å; A862-G864 PolarHBondContact O-N 2.64Å; A862-G864 VanDerWaalsContact O-N 3.16Å; A862-Y865 HydrophobicContact CB-CD2 4.22Å; A862-Y865 WeakPolarHBondContact O-CB 3.22Å; A862-Y865 WeakPolarHBondContact O-CD2 3.47Å; A862-Y865 PolarHBondContact O-N 3.44Å; A862-S870 WeakPolarHBondContact O-CB 3.23Å; A862-A876 HydrophobicContact CB-CB 3.89Å; A862-V880 HydrophobicContact CB-CG2 3.88Å |
| 863 | K | 84.4 | Confident | 87 | Confident | 179 Ų | 179 | 99.4 Ų | 99.4 | 78% | 0.778 | 48% | 0.481 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.1 | -31.7 | -172.2 | -170.1 | -179.2 | 175.9 | -169.6 | 0 | 113.7 | L859 K860 | L859-K863 PolarHBondContact O-N 2.85Å; K860-K863 WeakPolarHBondContact O-CB 3.47Å; K860-K863 PolarHBondContact O-N 3.22Å |
| 864 | G | 83.5 | Confident | 87.3 | Confident | 70 Ų | 70 | 106 Ų | 106 | 72% | 0.722 | 49% | 0.494 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -88 | 4.1 | 178.8 | 0 | 0 | 0 | 0 | 0 | 115.9 | A862 | A862-G864 PolarHBondContact O-N 2.64Å; A862-G864 VanDerWaalsContact O-N 3.16Å |
| 865 | Y | 87.2 | Confident | 87.5 | Confident | 74 Ų | 74 | 101.1 Ų | 101.1 | 29% | 0.29 | 48% | 0.481 | S | S | . | . | trans | -89.5 | 154 | -178.4 | -69.7 | -112.8 | 0 | 0 | 0 | 111.3 | A862 R869 S870 A879 A883 | A862-Y865 HydrophobicContact CB-CD2 4.22Å; A862-Y865 WeakPolarHBondContact O-CB 3.22Å; A862-Y865 WeakPolarHBondContact O-CD2 3.47Å; A862-Y865 PolarHBondContact O-N 3.44Å; Y865-R869 HydrophobicContact CD1-CB 4.13Å; Y865-R869 HydrophobicContact CG-CB 4.33Å; Y865-S870 WeakPolarHBondContact O-CB 3.35Å; Y865-S870 PolarHBondContact O-OG 3.12Å; Y865-A879 HydrophobicContact CD1-CB 4.03Å; Y865-A879 HydrophobicContact CE1-CB 3.91Å; Y865-A883 WeakPolarHBondContact OH-CB 3.47Å | ||
| 866 | Y | 84.4 | Confident | 87.6 | Confident | 211 Ų | 211 | 99 Ų | 99 | 83% | 0.827 | 47% | 0.471 | S | S | * | . | trans | -91.5 | 147 | 179.6 | -74.8 | -91 | 0 | 0 | 0 | 113.6 | R869 | Y866-R869 WeakPolarHBondContact O-CB 3.42Å; Y866-R869 PolarHBondContact O-N 3.3Å | ||
| 867 | G | 87 | Confident | 87.9 | Confident | 49 Ų | 49 | 94 Ų | 94 | 51% | 0.505 | 45% | 0.449 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 62.6 | -132.6 | 170.7 | 0 | 0 | 0 | 0 | 0 | 114.5 | R869 S870 | G867-R869 PolarHBondContact O-N 3.06Å; G867-S870 PolarHBondContact O-N 3.27Å; G867-S870 PolarHBondContact O-OG 2.8Å; G867-S870 VanDerWaalsContact O-OG 3.14Å |
| 868 | A | 85 | Confident | 87.8 | Confident | 53 Ų | 53 | 93.1 Ų | 93.1 | 44% | 0.438 | 45% | 0.447 | S | S | . | . | H | α-helix | trans | -62.5 | -23.5 | -178.1 | 0 | 0 | 0 | 0 | 0 | 113.3 | S870 R871 V872 V875 | A868-S870 VanDerWaalsContact C-N 3.31Å; A868-S870 PolarHBondContact O-N 3.04Å; A868-R871 PolarHBondContact O-N 3.49Å; A868-V872 HydrophobicContact CB-CG2 4.21Å; A868-V872 WeakPolarHBondContact O-CB 3.46Å; A868-V872 PolarHBondContact O-N 3.45Å; A868-V875 HydrophobicContact CB-CB 4.5Å; A868-V875 HydrophobicContact CB-CG1 4.23Å; A868-V875 HydrophobicContact CB-CG2 4.4Å |
| 869 | R | 85.6 | Confident | 87.8 | Confident | 150 Ų | 150 | 92.9 Ų | 92.9 | 57% | 0.566 | 45% | 0.448 | S | S | * | . | H | α-helix | trans | -69.6 | -22 | -179.9 | -66.8 | 176.9 | -179 | 179.6 | 2.3 | 113.4 | Y865 Y866 G867 V875 A876 A879 | Y865-R869 HydrophobicContact CD1-CB 4.13Å; Y865-R869 HydrophobicContact CG-CB 4.33Å; Y866-R869 WeakPolarHBondContact O-CB 3.42Å; Y866-R869 PolarHBondContact O-N 3.3Å; G867-R869 PolarHBondContact O-N 3.06Å; R869-V875 HydrophobicContact CB-CG1 4.37Å; R869-V875 HydrophobicContact CG-CG1 3.7Å; R869-A876 VanDerWaalsContact O-CA 3.27Å; R869-A876 WeakPolarHBondContact O-CA 3.45Å; R869-A876 VanDerWaalsContact O-CB 3.26Å; R869-A876 WeakPolarHBondContact O-CB 3.39Å; R869-A879 HydrophobicContact CB-CB 4.3Å; R869-A879 HydrophobicContact CG-CB 4.19Å |
| 870 | S | 86.6 | Confident | 87.8 | Confident | 34 Ų | 34 | 91 Ų | 91 | 24% | 0.238 | 44% | 0.439 | C | S | . | . | H | α-helix | trans | -99.3 | -19.6 | 173.2 | 47.5 | 0 | 0 | 0 | 0 | 114.5 | L859 A862 Y865 G867 A868 | L859-S870 WeakPolarHBondContact CD2-O 3.16Å; A862-S870 WeakPolarHBondContact O-CB 3.23Å; Y865-S870 WeakPolarHBondContact O-CB 3.35Å; Y865-S870 PolarHBondContact O-OG 3.12Å; G867-S870 PolarHBondContact O-N 3.27Å; G867-S870 PolarHBondContact O-OG 2.8Å; G867-S870 VanDerWaalsContact O-OG 3.14Å; A868-S870 VanDerWaalsContact C-N 3.31Å; A868-S870 PolarHBondContact O-N 3.04Å |
| 871 | R | 83.7 | Confident | 87.8 | Confident | 215 Ų | 215 | 86.2 Ų | 86.2 | 81% | 0.811 | 42% | 0.421 | S | S | * | . | H | α-helix | trans | -107.9 | -29.3 | -170.3 | -57.1 | 179.4 | 92.8 | -180 | 8.6 | 114.1 | A868 | A868-R871 PolarHBondContact O-N 3.49Å |
| 872 | V | 88.5 | Confident | 87.6 | Confident | 72 Ų | 72 | 86.5 Ų | 86.5 | 44% | 0.436 | 42% | 0.421 | S | S | . | . | trans | -108.4 | 113.8 | -171.6 | -176.7 | 0 | 0 | 0 | 0 | 110.3 | A868 R874 V875 A876 | A868-V872 HydrophobicContact CB-CG2 4.21Å; A868-V872 WeakPolarHBondContact O-CB 3.46Å; A868-V872 PolarHBondContact O-N 3.45Å; V872-R874 VanDerWaalsContact C-N 3.29Å; V872-R874 PolarHBondContact O-N 3.02Å; V872-R874 VanDerWaalsContact O-N 3.09Å; V872-V875 HydrophobicContact CB-CB 4.3Å; V872-V875 HydrophobicContact CB-CG2 4.14Å; V872-V875 HydrophobicContact CG1-CG2 4.07Å; V872-V875 PolarHBondContact O-N 3.41Å; V872-A876 WeakPolarHBondContact O-CB 3.46Å; V872-A876 PolarHBondContact O-N 2.94Å | ||
| 873 | Y | 87.6 | Confident | 87.4 | Confident | 55 Ų | 55 | 88 Ų | 88 | 22% | 0.216 | 43% | 0.433 | C | S | . | . | H | α-helix | trans | -47.5 | -44.9 | -174.7 | 172.5 | -99.3 | 0 | 0 | 0 | 114.4 | H855 I858 V875 A876 F877 | H855-Y873 HydrophobicContact CB-CD2 4.07Å; H855-Y873 HydrophobicContact CB-CE2 4.31Å; H855-Y873 AromaticContact CD2-CD2 3.5Å; H855-Y873 AromaticContact CD2-CE1 3.93Å; H855-Y873 AromaticContact CD2-CE2 3.29Å; H855-Y873 WeakPolarHBondContact CD2-CE2 3.24Å; H855-Y873 AromaticContact CD2-CG 3.9Å; H855-Y873 AromaticContact CD2-CZ 3.52Å; H855-Y873 AromaticContact CE1-CD1 3.39Å; H855-Y873 WeakPolarHBondContact CE1-CD1 3.44Å; H855-Y873 AromaticContact CE1-CD2 3.65Å; H855-Y873 AromaticContact CE1-CE1 3.87Å; H855-Y873 AromaticContact CE1-CG 3.25Å; H855-Y873 AromaticContact CG-CD2 3.46Å; H855-Y873 VanDerWaalsContact CG-CD2 3.46Å; H855-Y873 AromaticContact CG-CE2 3.7Å; H855-Y873 AromaticContact CG-CG 3.89Å; H855-Y873 AromaticContact ND1-CD2 3.57Å; H855-Y873 AromaticContact ND1-CG 3.51Å; H855-Y873 AromaticContact NE2-CD1 3.39Å; H855-Y873 WeakPolarHBondContact NE2-CD1 3.42Å; H855-Y873 AromaticContact NE2-CD2 3.67Å; H855-Y873 AromaticContact NE2-CE1 3.36Å; H855-Y873 WeakPolarHBondContact NE2-CE1 3.28Å; H855-Y873 AromaticContact NE2-CE2 3.63Å; H855-Y873 AromaticContact NE2-CG 3.54Å; H855-Y873 AromaticContact NE2-CZ 3.47Å; I858-Y873 HydrophobicContact CB-CD2 4.32Å; I858-Y873 HydrophobicContact CB-CE2 4.04Å; I858-Y873 HydrophobicContact CG1-CE2 4.02Å; I858-Y873 HydrophobicContact CG2-CD2 4.24Å; I858-Y873 HydrophobicContact CG2-CE2 4.21Å; Y873-V875 PolarHBondContact O-N 2.93Å; Y873-A876 PolarHBondContact O-N 2.83Å; Y873-F877 WeakPolarHBondContact O-CB 3.35Å; Y873-F877 PolarHBondContact O-N 3.27Å |
| 874 | R | 87.5 | Confident | 87.5 | Confident | 195 Ų | 195 | 81.4 Ų | 81.4 | 74% | 0.736 | 42% | 0.416 | S | S | * | . | H | α-helix | trans | -64.6 | -41 | -177.3 | -162.1 | 179.9 | -172.3 | 177.7 | 2.7 | 112 | V872 Q878 | V872-R874 VanDerWaalsContact C-N 3.29Å; V872-R874 PolarHBondContact O-N 3.02Å; V872-R874 VanDerWaalsContact O-N 3.09Å; R874-Q878 PolarHBondContact O-N 2.92Å |
| 875 | V | 88.1 | Confident | 87.5 | Confident | 48 Ų | 48 | 84.2 Ų | 84.2 | 29% | 0.291 | 41% | 0.41 | S | S | . | . | H | α-helix | trans | -75.8 | -41.6 | 179.4 | -174.3 | 0 | 0 | 0 | 0 | 110.3 | A868 R869 V872 Y873 F877 Q878 A879 | A868-V875 HydrophobicContact CB-CB 4.5Å; A868-V875 HydrophobicContact CB-CG1 4.23Å; A868-V875 HydrophobicContact CB-CG2 4.4Å; R869-V875 HydrophobicContact CB-CG1 4.37Å; R869-V875 HydrophobicContact CG-CG1 3.7Å; V872-V875 HydrophobicContact CB-CB 4.3Å; V872-V875 HydrophobicContact CB-CG2 4.14Å; V872-V875 HydrophobicContact CG1-CG2 4.07Å; V872-V875 PolarHBondContact O-N 3.41Å; Y873-V875 PolarHBondContact O-N 2.93Å; V875-F877 VanDerWaalsContact C-N 3.35Å; V875-F877 PolarHBondContact O-N 3.45Å; V875-Q878 PolarHBondContact O-N 3.29Å; V875-A879 WeakPolarHBondContact O-CB 3.19Å; V875-A879 PolarHBondContact O-N 2.98Å |
| 876 | A | 90.9 | Very high | 87.2 | Confident | 0 Ų | 0 | 85.8 Ų | 85.8 | 0% | 0 | 42% | 0.416 | C | S | . | . | H | α-helix | trans | -59.8 | -43.6 | 173.8 | 0 | 0 | 0 | 0 | 0 | 111.7 | I858 L859 A862 R869 V872 Y873 A879 V880 | I858-A876 HydrophobicContact CG2-CB 4.2Å; L859-A876 HydrophobicContact CD2-CB 4Å; A862-A876 HydrophobicContact CB-CB 3.89Å; R869-A876 VanDerWaalsContact O-CA 3.27Å; R869-A876 WeakPolarHBondContact O-CA 3.45Å; R869-A876 VanDerWaalsContact O-CB 3.26Å; R869-A876 WeakPolarHBondContact O-CB 3.39Å; V872-A876 WeakPolarHBondContact O-CB 3.46Å; V872-A876 PolarHBondContact O-N 2.94Å; Y873-A876 PolarHBondContact O-N 2.83Å; A876-A879 PolarHBondContact O-N 3.46Å; A876-V880 VanDerWaalsContact O-CB 3.31Å; A876-V880 WeakPolarHBondContact O-CB 3.45Å; A876-V880 VanDerWaalsContact O-CG2 3.22Å; A876-V880 WeakPolarHBondContact O-CG2 3.36Å; A876-V880 PolarHBondContact O-N 3.38Å |
| 877 | F | 92.4 | Very high | 87 | Confident | 63 Ų | 63 | 77.9 Ų | 77.9 | 28% | 0.276 | 39% | 0.394 | S | S | . | . | H | α-helix | trans | -61.4 | -47.4 | 176.9 | 180 | -105.4 | 0 | 0 | 0 | 112 | I858 Y873 V875 A879 I881 | I858-F877 HydrophobicContact CD1-CD2 3.94Å; I858-F877 HydrophobicContact CD1-CE2 4.47Å; I858-F877 HydrophobicContact CG1-CD2 4.24Å; I858-F877 HydrophobicContact CG2-CB 4.23Å; Y873-F877 WeakPolarHBondContact O-CB 3.35Å; Y873-F877 PolarHBondContact O-N 3.27Å; V875-F877 VanDerWaalsContact C-N 3.35Å; V875-F877 PolarHBondContact O-N 3.45Å; F877-A879 PolarHBondContact O-N 2.93Å; F877-I881 HydrophobicContact CD1-CD1 3.94Å; F877-I881 HydrophobicContact CD2-CD1 4.21Å; F877-I881 HydrophobicContact CE1-CD1 3.37Å; F877-I881 HydrophobicContact CE2-CD1 3.67Å; F877-I881 HydrophobicContact CE2-CG1 4.33Å; F877-I881 HydrophobicContact CG-CD1 4.34Å; F877-I881 HydrophobicContact CZ-CD1 3.24Å; F877-I881 HydrophobicContact CZ-CG1 4.34Å; F877-I881 WeakPolarHBondContact O-CB 3.28Å; F877-I881 WeakPolarHBondContact O-CG1 3.3Å; F877-I881 PolarHBondContact O-N 3.42Å |
| 878 | Q | 90.2 | Very high | 86.5 | Confident | 126 Ų | 126 | 81.7 Ų | 81.7 | 59% | 0.589 | 40% | 0.395 | S | S | * | . | H | α-helix | trans | -61.6 | -42.7 | 175.3 | -76.4 | 178.6 | -23.5 | 0 | 0 | 112.2 | R874 V875 K882 | R874-Q878 PolarHBondContact O-N 2.92Å; V875-Q878 PolarHBondContact O-N 3.29Å; Q878-K882 WeakPolarHBondContact O-CB 3.43Å; Q878-K882 PolarHBondContact O-N 3.37Å |
| 879 | A | 89.5 | Confident | 86.2 | Confident | 15 Ų | 15 | 85.7 Ų | 85.7 | 12% | 0.124 | 40% | 0.398 | C | S | . | . | H | α-helix | trans | -65.7 | -46.2 | 179.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | Y865 R869 V875 A876 F877 K882 A883 | Y865-A879 HydrophobicContact CD1-CB 4.03Å; Y865-A879 HydrophobicContact CE1-CB 3.91Å; R869-A879 HydrophobicContact CB-CB 4.3Å; R869-A879 HydrophobicContact CG-CB 4.19Å; V875-A879 WeakPolarHBondContact O-CB 3.19Å; V875-A879 PolarHBondContact O-N 2.98Å; A876-A879 PolarHBondContact O-N 3.46Å; F877-A879 PolarHBondContact O-N 2.93Å; A879-K882 PolarHBondContact O-N 2.95Å; A879-A883 WeakPolarHBondContact O-CB 3.3Å; A879-A883 PolarHBondContact O-N 3.42Å |
| 880 | V | 91.1 | Very high | 85.7 | Confident | 19 Ų | 19 | 81.8 Ų | 81.8 | 12% | 0.115 | 39% | 0.389 | C | S | . | . | H | α-helix | trans | -64.9 | -41.6 | 178.6 | 168.1 | 0 | 0 | 0 | 0 | 111.6 | I858 Q861 A862 A876 A883 G884 | I858-V880 HydrophobicContact CD1-CG1 4.4Å; Q861-V880 HydrophobicContact CB-CG1 4.14Å; Q861-V880 HydrophobicContact CB-CG2 4.04Å; Q861-V880 VanDerWaalsContact OE1-CG1 3.24Å; A862-V880 HydrophobicContact CB-CG2 3.88Å; A876-V880 VanDerWaalsContact O-CB 3.31Å; A876-V880 WeakPolarHBondContact O-CB 3.45Å; A876-V880 VanDerWaalsContact O-CG2 3.22Å; A876-V880 WeakPolarHBondContact O-CG2 3.36Å; A876-V880 PolarHBondContact O-N 3.38Å; V880-A883 PolarHBondContact O-N 2.87Å; V880-G884 PolarHBondContact O-N 3.12Å |
| 881 | I | 89.3 | Confident | 85.2 | Confident | 74 Ų | 74 | 88.7 Ų | 88.7 | 38% | 0.379 | 41% | 0.409 | S | S | . | . | H | α-helix | trans | -60.9 | -48.3 | 174.5 | -77.2 | -179.7 | 0 | 0 | 0 | 110.7 | F877 A883 G884 Q885 | F877-I881 HydrophobicContact CD1-CD1 3.94Å; F877-I881 HydrophobicContact CD2-CD1 4.21Å; F877-I881 HydrophobicContact CE1-CD1 3.37Å; F877-I881 HydrophobicContact CE2-CD1 3.67Å; F877-I881 HydrophobicContact CE2-CG1 4.33Å; F877-I881 HydrophobicContact CG-CD1 4.34Å; F877-I881 HydrophobicContact CZ-CD1 3.24Å; F877-I881 HydrophobicContact CZ-CG1 4.34Å; F877-I881 WeakPolarHBondContact O-CB 3.28Å; F877-I881 WeakPolarHBondContact O-CG1 3.3Å; F877-I881 PolarHBondContact O-N 3.42Å; I881-A883 VanDerWaalsContact C-N 3.34Å; I881-A883 PolarHBondContact O-N 2.63Å; I881-G884 PolarHBondContact O-N 2.86Å; I881-Q885 WeakPolarHBondContact O-CG 3.16Å; I881-Q885 PolarHBondContact O-N 2.96Å |
| 882 | K | 86.8 | Confident | 84.8 | Confident | 115 Ų | 115 | 86.2 Ų | 86.2 | 50% | 0.5 | 40% | 0.4 | S | S | . | . | H | α-helix | trans | -63.7 | -41.5 | -178.2 | -162.3 | 174.9 | -177.1 | -179.4 | 0 | 111.3 | Q878 A879 Q885 Y886 | Q878-K882 WeakPolarHBondContact O-CB 3.43Å; Q878-K882 PolarHBondContact O-N 3.37Å; A879-K882 PolarHBondContact O-N 2.95Å; K882-Q885 PolarHBondContact O-N 2.92Å; K882-Y886 HydrophobicContact CD-CE2 4.04Å; K882-Y886 WeakPolarHBondContact CE-OH 3.38Å; K882-Y886 HydrophobicContact CG-CD2 4.09Å; K882-Y886 HydrophobicContact CG-CE2 3.57Å; K882-Y886 WeakPolarHBondContact O-CD2 3.47Å; K882-Y886 PolarHBondContact O-N 2.9Å |
| 883 | A | 87.1 | Confident | 84.3 | Confident | 31 Ų | 31 | 87.5 Ų | 87.5 | 26% | 0.256 | 40% | 0.401 | S | S | . | . | H | α-helix | trans | -65.6 | -37.8 | 173.8 | 0 | 0 | 0 | 0 | 0 | 112.9 | Y865 A879 V880 I881 Y886 A887 | Y865-A883 WeakPolarHBondContact OH-CB 3.47Å; A879-A883 WeakPolarHBondContact O-CB 3.3Å; A879-A883 PolarHBondContact O-N 3.42Å; V880-A883 PolarHBondContact O-N 2.87Å; I881-A883 VanDerWaalsContact C-N 3.34Å; I881-A883 PolarHBondContact O-N 2.63Å; A883-Y886 PolarHBondContact O-N 3.29Å; A883-A887 VanDerWaalsContact O-CB 3.23Å; A883-A887 WeakPolarHBondContact O-CB 3.46Å; A883-A887 PolarHBondContact O-N 3.03Å |
| 884 | G | 86.2 | Confident | 83.8 | Confident | 40 Ų | 40 | 92.5 Ų | 92.5 | 41% | 0.412 | 42% | 0.42 | S | S | . | . | H | α-helix | trans | -63.8 | -41.1 | 173.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | V880 I881 Y888 | V880-G884 PolarHBondContact O-N 3.12Å; I881-G884 PolarHBondContact O-N 2.86Å; G884-Y888 WeakPolarHBondContact O-CB 3.33Å; G884-Y888 PolarHBondContact O-N 3.05Å |
| 885 | Q | 83.1 | Confident | 83.4 | Confident | 130 Ų | 130 | 91.2 Ų | 91.2 | 61% | 0.607 | 42% | 0.42 | S | S | * | . | H | α-helix | trans | -63.1 | -46.2 | 173.8 | -75 | 177.5 | -23.5 | 0 | 0 | 111.7 | I881 K882 Y888 R889 | I881-Q885 WeakPolarHBondContact O-CG 3.16Å; I881-Q885 PolarHBondContact O-N 2.96Å; K882-Q885 PolarHBondContact O-N 2.92Å; Q885-Y888 PolarHBondContact O-N 3.42Å; Q885-R889 WeakPolarHBondContact O-CB 3.43Å; Q885-R889 PolarHBondContact O-N 3.16Å |
| 886 | Y | 79.8 | Confident | 83.1 | Confident | 107 Ų | 107 | 98.4 Ų | 98.4 | 42% | 0.42 | 44% | 0.441 | S | S | . | . | H | α-helix | trans | -63.7 | -46.9 | 175.4 | -70 | -48.6 | 0 | 0 | 0 | 112 | K882 A883 Y888 R889 D890 | K882-Y886 HydrophobicContact CD-CE2 4.04Å; K882-Y886 WeakPolarHBondContact CE-OH 3.38Å; K882-Y886 HydrophobicContact CG-CD2 4.09Å; K882-Y886 HydrophobicContact CG-CE2 3.57Å; K882-Y886 WeakPolarHBondContact O-CD2 3.47Å; K882-Y886 PolarHBondContact O-N 2.9Å; A883-Y886 PolarHBondContact O-N 3.29Å; Y886-Y888 PolarHBondContact O-N 3.33Å; Y886-R889 PolarHBondContact O-N 3.29Å; Y886-R889 VanDerWaalsContact O-N 3.13Å; Y886-D890 WeakPolarHBondContact O-CB 3.42Å; Y886-D890 PolarHBondContact O-N 3.26Å |
| 887 | A | 80 | Confident | 82.7 | Confident | 44 Ų | 44 | 103.8 Ų | 103.8 | 36% | 0.364 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -61.7 | -28.5 | 177.1 | 0 | 0 | 0 | 0 | 0 | 113.3 | A883 R891 | A883-A887 VanDerWaalsContact O-CB 3.23Å; A883-A887 WeakPolarHBondContact O-CB 3.46Å; A883-A887 PolarHBondContact O-N 3.03Å; A887-R891 VanDerWaalsContact O-CB 3.26Å; A887-R891 WeakPolarHBondContact O-CB 3.43Å; A887-R891 WeakPolarHBondContact O-CG 3.48Å; A887-R891 PolarHBondContact O-N 3.25Å; A887-R891 VanDerWaalsContact O-N 3.16Å; A887-R891 PolarHBondContact O-NE 2.98Å |
| 888 | Y | 78.5 | Confident | 82.5 | Confident | 130 Ų | 130 | 104.8 Ų | 104.8 | 51% | 0.51 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -74.7 | -47.6 | 172.1 | -178.7 | -96.7 | 0 | 0 | 0 | 111.8 | G884 Q885 Y886 D890 R891 R892 | G884-Y888 WeakPolarHBondContact O-CB 3.33Å; G884-Y888 PolarHBondContact O-N 3.05Å; Q885-Y888 PolarHBondContact O-N 3.42Å; Y886-Y888 PolarHBondContact O-N 3.33Å; Y888-D890 PolarHBondContact O-N 3.39Å; Y888-R891 PolarHBondContact O-N 3.44Å; Y888-R892 HydrophobicContact CE1-CG 4.48Å; Y888-R892 PolarHBondContact O-N 2.89Å; Y888-R892 PolarHBondContact OH-NE 2.95Å; Y888-R892 PolarHBondContact OH-NH2 2.91Å |
| 889 | R | 78.6 | Confident | 82.4 | Confident | 137 Ų | 137 | 104.7 Ų | 104.7 | 52% | 0.517 | 47% | 0.465 | S | S | . | . | H | α-helix | trans | -56.5 | -50 | 176 | -171.1 | -164.9 | 80.7 | 163.7 | 7.7 | 111 | Q885 Y886 R892 Q893 | Q885-R889 WeakPolarHBondContact O-CB 3.43Å; Q885-R889 PolarHBondContact O-N 3.16Å; Y886-R889 PolarHBondContact O-N 3.29Å; Y886-R889 VanDerWaalsContact O-N 3.13Å; R889-R892 WeakPolarHBondContact O-CB 3.42Å; R889-R892 PolarHBondContact O-N 2.71Å; R889-Q893 PolarHBondContact O-N 2.8Å |
| 890 | D | 74.9 | Confident | 82.4 | Confident | 68 Ų | 68 | 110.9 Ų | 110.9 | 36% | 0.364 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -72.4 | -32.9 | -175.7 | -60.8 | -16.2 | 0 | 0 | 0 | 111 | Y886 Y888 R892 Q893 R894 | Y886-D890 WeakPolarHBondContact O-CB 3.42Å; Y886-D890 PolarHBondContact O-N 3.26Å; Y888-D890 PolarHBondContact O-N 3.39Å; D890-R892 PolarHBondContact O-N 3.18Å; D890-Q893 PolarHBondContact O-N 3.11Å; D890-R894 VanDerWaalsContact O-CB 3.24Å; D890-R894 WeakPolarHBondContact O-CB 3.45Å; D890-R894 PolarHBondContact O-N 2.66Å |
| 891 | R | 74.8 | Confident | 82.4 | Confident | 179 Ų | 179 | 113.9 Ų | 113.9 | 68% | 0.675 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -61.9 | -40.9 | 168.1 | -93 | -173.8 | -80.9 | -164.7 | -5.8 | 112.7 | A887 Y888 K895 | A887-R891 VanDerWaalsContact O-CB 3.26Å; A887-R891 WeakPolarHBondContact O-CB 3.43Å; A887-R891 WeakPolarHBondContact O-CG 3.48Å; A887-R891 PolarHBondContact O-N 3.25Å; A887-R891 VanDerWaalsContact O-N 3.16Å; A887-R891 PolarHBondContact O-NE 2.98Å; Y888-R891 PolarHBondContact O-N 3.44Å; R891-K895 PolarHBondContact O-N 3.08Å |
| 892 | R | 76.7 | Confident | 82.6 | Confident | 162 Ų | 162 | 112.8 Ų | 112.8 | 61% | 0.611 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -65.6 | -42.8 | 175.1 | -91.8 | -174.3 | 163.5 | -175.1 | -2.7 | 111.7 | Y888 R889 D890 K895 R896 | Y888-R892 HydrophobicContact CE1-CG 4.48Å; Y888-R892 PolarHBondContact O-N 2.89Å; Y888-R892 PolarHBondContact OH-NE 2.95Å; Y888-R892 PolarHBondContact OH-NH2 2.91Å; R889-R892 WeakPolarHBondContact O-CB 3.42Å; R889-R892 PolarHBondContact O-N 2.71Å; D890-R892 PolarHBondContact O-N 3.18Å; R892-K895 PolarHBondContact O-N 3.37Å; R892-R896 PolarHBondContact O-N 3.05Å |
| 893 | Q | 77 | Confident | 82.9 | Confident | 99 Ų | 99 | 109.8 Ų | 109.8 | 46% | 0.463 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -64.3 | -45.9 | 175.3 | -100 | -164 | -8.7 | 0 | 0 | 112 | R889 D890 K895 R896 Q897 | R889-Q893 PolarHBondContact O-N 2.8Å; D890-Q893 PolarHBondContact O-N 3.11Å; Q893-K895 VanDerWaalsContact C-N 3.31Å; Q893-K895 PolarHBondContact O-N 3.43Å; Q893-R896 CarbonylContact O-C 3.49Å; Q893-R896 WeakPolarHBondContact O-CA 3.26Å; Q893-R896 WeakPolarHBondContact O-CB 3.47Å; Q893-R896 PolarHBondContact O-N 3.34Å; Q893-Q897 PolarHBondContact O-N 3.05Å |
| 894 | R | 78.3 | Confident | 83.2 | Confident | 161 Ų | 161 | 111.2 Ų | 111.2 | 61% | 0.608 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -58 | -43.3 | 177.4 | -166.9 | 174 | -179.4 | -179.6 | 2.9 | 111.1 | D890 R896 Q897 F898 | D890-R894 VanDerWaalsContact O-CB 3.24Å; D890-R894 WeakPolarHBondContact O-CB 3.45Å; D890-R894 PolarHBondContact O-N 2.66Å; R894-R896 VanDerWaalsContact C-N 3.3Å; R894-R896 PolarHBondContact O-N 2.91Å; R894-Q897 PolarHBondContact O-N 2.99Å; R894-F898 HydrophobicContact CG-CD2 3.51Å; R894-F898 HydrophobicContact CG-CE2 3.57Å; R894-F898 WeakPolarHBondContact O-CB 3.48Å; R894-F898 WeakPolarHBondContact O-CD2 3.48Å; R894-F898 PolarHBondContact O-N 3.24Å |
| 895 | K | 78.4 | Confident | 83.6 | Confident | 168 Ų | 168 | 114 Ų | 114 | 73% | 0.73 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -58.7 | -38.2 | 172.9 | -111.8 | -174.5 | 177.9 | -175.1 | 0 | 112.8 | R891 R892 Q893 R899 | R891-K895 PolarHBondContact O-N 3.08Å; R892-K895 PolarHBondContact O-N 3.37Å; Q893-K895 VanDerWaalsContact C-N 3.31Å; Q893-K895 PolarHBondContact O-N 3.43Å; K895-R899 VanDerWaalsContact O-CB 3.22Å; K895-R899 WeakPolarHBondContact O-CB 3.48Å; K895-R899 PolarHBondContact O-N 3.39Å; K895-R899 VanDerWaalsContact O-N 3.15Å |
| 896 | R | 80.9 | Confident | 84.2 | Confident | 198 Ų | 198 | 107.8 Ų | 107.8 | 75% | 0.747 | 47% | 0.467 | S | S | * | . | H | α-helix | trans | -71.1 | -47.6 | 176.2 | -78.7 | -176.1 | 172.8 | -176.7 | -2.8 | 112.2 | R892 Q893 R894 R899 Q900 | R892-R896 PolarHBondContact O-N 3.05Å; Q893-R896 CarbonylContact O-C 3.49Å; Q893-R896 WeakPolarHBondContact O-CA 3.26Å; Q893-R896 WeakPolarHBondContact O-CB 3.47Å; Q893-R896 PolarHBondContact O-N 3.34Å; R894-R896 VanDerWaalsContact C-N 3.3Å; R894-R896 PolarHBondContact O-N 2.91Å; R896-R899 PolarHBondContact O-N 3.1Å; R896-Q900 PolarHBondContact O-N 3.42Å |
| 897 | Q | 83.7 | Confident | 84.9 | Confident | 114 Ų | 114 | 104.8 Ų | 104.8 | 53% | 0.533 | 46% | 0.459 | S | S | . | . | H | α-helix | trans | -60.6 | -49 | 178.6 | -75.6 | 175.5 | -26.9 | 0 | 0 | 111.6 | Q893 R894 R899 Q900 L901 | Q893-Q897 PolarHBondContact O-N 3.05Å; R894-Q897 PolarHBondContact O-N 2.99Å; Q897-R899 VanDerWaalsContact C-N 3.33Å; Q897-R899 PolarHBondContact O-N 2.89Å; Q897-Q900 WeakPolarHBondContact O-CB 3.47Å; Q897-Q900 PolarHBondContact O-N 3.48Å; Q897-L901 PolarHBondContact O-N 3.07Å |
| 898 | F | 87.4 | Confident | 85.5 | Confident | 83 Ų | 83 | 105.5 Ų | 105.5 | 36% | 0.364 | 46% | 0.464 | S | S | . | . | H | α-helix | trans | -63.4 | -38.5 | 176.7 | -88.3 | -88.9 | 0 | 0 | 0 | 112.1 | R894 Q900 L901 W902 | R894-F898 HydrophobicContact CG-CD2 3.51Å; R894-F898 HydrophobicContact CG-CE2 3.57Å; R894-F898 WeakPolarHBondContact O-CB 3.48Å; R894-F898 WeakPolarHBondContact O-CD2 3.48Å; R894-F898 PolarHBondContact O-N 3.24Å; F898-Q900 VanDerWaalsContact C-N 3.34Å; F898-Q900 PolarHBondContact O-N 3.06Å; F898-L901 WeakPolarHBondContact O-CB 3.5Å; F898-L901 PolarHBondContact O-N 3.14Å; F898-W902 HydrophobicContact CB-CH2 4.26Å; F898-W902 HydrophobicContact CB-CZ2 3.86Å; F898-W902 HydrophobicContact CD1-CZ2 4.15Å; F898-W902 AromaticContact CD1-NE1 3.99Å; F898-W902 HydrophobicContact CG-CZ2 4.38Å; F898-W902 VanDerWaalsContact O-CD2 3.23Å; F898-W902 PolarHBondContact O-N 3.08Å |
| 899 | R | 88.8 | Confident | 86.2 | Confident | 125 Ų | 125 | 99.7 Ų | 99.7 | 47% | 0.472 | 44% | 0.443 | S | S | . | . | H | α-helix | trans | -63.2 | -39.6 | 174.8 | -175.3 | 174 | -179.8 | 170.4 | -2.8 | 112.2 | K895 R896 Q897 W902 I903 | K895-R899 VanDerWaalsContact O-CB 3.22Å; K895-R899 WeakPolarHBondContact O-CB 3.48Å; K895-R899 PolarHBondContact O-N 3.39Å; K895-R899 VanDerWaalsContact O-N 3.15Å; R896-R899 PolarHBondContact O-N 3.1Å; Q897-R899 VanDerWaalsContact C-N 3.33Å; Q897-R899 PolarHBondContact O-N 2.89Å; R899-W902 HydrophobicContact CB-CE3 4.41Å; R899-W902 PolarHBondContact O-N 3.22Å; R899-I903 HydrophobicContact CG-CD1 4Å; R899-I903 WeakPolarHBondContact O-CB 3.26Å; R899-I903 VanDerWaalsContact O-CG1 3.23Å; R899-I903 WeakPolarHBondContact O-CG1 3.27Å; R899-I903 PolarHBondContact O-N 2.66Å |
| 900 | Q | 88.5 | Confident | 87 | Confident | 144 Ų | 144 | 93.2 Ų | 93.2 | 67% | 0.673 | 42% | 0.419 | S | S | * | . | H | α-helix | trans | -61.1 | -45.7 | 172.9 | -116.2 | 176.4 | -15.8 | 0 | 0 | 111.1 | R896 Q897 F898 I903 A904 | R896-Q900 PolarHBondContact O-N 3.42Å; Q897-Q900 WeakPolarHBondContact O-CB 3.47Å; Q897-Q900 PolarHBondContact O-N 3.48Å; F898-Q900 VanDerWaalsContact C-N 3.34Å; F898-Q900 PolarHBondContact O-N 3.06Å; Q900-I903 PolarHBondContact O-N 3.36Å; Q900-A904 WeakPolarHBondContact O-CB 3.15Å; Q900-A904 PolarHBondContact O-N 2.71Å |
| 901 | L | 91.2 | Very high | 87.8 | Confident | 83 Ų | 83 | 98.5 Ų | 98.5 | 44% | 0.435 | 43% | 0.434 | S | S | . | . | H | α-helix | trans | -61.7 | -44.2 | 177.8 | -154.9 | 101.5 | 0 | 0 | 0 | 112.2 | Q897 F898 A904 R905 | Q897-L901 PolarHBondContact O-N 3.07Å; F898-L901 WeakPolarHBondContact O-CB 3.5Å; F898-L901 PolarHBondContact O-N 3.14Å; L901-A904 PolarHBondContact O-N 3.4Å; L901-R905 WeakPolarHBondContact O-CG 3.26Å; L901-R905 PolarHBondContact O-N 3.02Å |
| 902 | W | 94.6 | Very high | 88.7 | Confident | 50 Ų | 50 | 97.8 Ų | 97.8 | 19% | 0.189 | 44% | 0.438 | C | S | . | . | H | α-helix | trans | -63.8 | -44.6 | 176.8 | -60.5 | -28.9 | 0 | 0 | 0 | 111.8 | F898 R899 A904 R905 I906 R933 K934 A937 | F898-W902 HydrophobicContact CB-CH2 4.26Å; F898-W902 HydrophobicContact CB-CZ2 3.86Å; F898-W902 HydrophobicContact CD1-CZ2 4.15Å; F898-W902 AromaticContact CD1-NE1 3.99Å; F898-W902 HydrophobicContact CG-CZ2 4.38Å; F898-W902 VanDerWaalsContact O-CD2 3.23Å; F898-W902 PolarHBondContact O-N 3.08Å; R899-W902 HydrophobicContact CB-CE3 4.41Å; R899-W902 PolarHBondContact O-N 3.22Å; W902-A904 VanDerWaalsContact C-N 3.3Å; W902-A904 PolarHBondContact O-N 2.54Å; W902-R905 PolarHBondContact O-N 2.92Å; W902-I906 WeakPolarHBondContact O-CB 3.49Å; W902-I906 WeakPolarHBondContact O-CD1 3.34Å; W902-I906 WeakPolarHBondContact O-CG1 3.42Å; W902-I906 PolarHBondContact O-N 3.31Å; W902-R933 HydrophobicContact CB-CB 4.45Å; W902-R933 HydrophobicContact CE3-CB 4.16Å; W902-K934 HydrophobicContact CD2-CB 4.11Å; W902-K934 HydrophobicContact CE3-CB 4.28Å; W902-K934 HydrophobicContact CH2-CB 3.87Å; W902-K934 HydrophobicContact CH2-CG 4.26Å; W902-K934 HydrophobicContact CZ2-CB 3.66Å; W902-K934 HydrophobicContact CZ2-CD 4.09Å; W902-K934 HydrophobicContact CZ2-CG 3.63Å; W902-K934 HydrophobicContact CZ3-CB 4.16Å; W902-A937 HydrophobicContact CB-CB 3.78Å; W902-A937 HydrophobicContact CG-CB 3.99Å |
| 903 | I | 93.1 | Very high | 89.4 | Confident | 53 Ų | 53 | 91.7 Ų | 91.7 | 27% | 0.272 | 42% | 0.417 | S | S | . | . | H | α-helix | trans | -61.8 | -41.3 | 176.6 | -69.5 | 168.3 | 0 | 0 | 0 | 110.4 | R899 Q900 I906 N907 Y917 | R899-I903 HydrophobicContact CG-CD1 4Å; R899-I903 WeakPolarHBondContact O-CB 3.26Å; R899-I903 VanDerWaalsContact O-CG1 3.23Å; R899-I903 WeakPolarHBondContact O-CG1 3.27Å; R899-I903 PolarHBondContact O-N 2.66Å; Q900-I903 PolarHBondContact O-N 3.36Å; I903-I906 PolarHBondContact O-N 3.01Å; I903-N907 WeakPolarHBondContact O-CB 3.39Å; I903-N907 PolarHBondContact O-N 2.74Å; I903-Y917 HydrophobicContact CG1-CE2 4.38Å; I903-Y917 HydrophobicContact CG2-CD2 4.46Å; I903-Y917 HydrophobicContact CG2-CE1 4.37Å; I903-Y917 HydrophobicContact CG2-CE2 4.24Å |
| 904 | A | 93.1 | Very high | 90.2 | Very high | 60 Ų | 60 | 90.3 Ų | 90.3 | 50% | 0.496 | 43% | 0.43 | S | S | . | . | H | α-helix | trans | -61 | -46.9 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112 | Q900 L901 W902 N907 A908 | Q900-A904 WeakPolarHBondContact O-CB 3.15Å; Q900-A904 PolarHBondContact O-N 2.71Å; L901-A904 PolarHBondContact O-N 3.4Å; W902-A904 VanDerWaalsContact C-N 3.3Å; W902-A904 PolarHBondContact O-N 2.54Å; A904-N907 PolarHBondContact O-N 3.09Å; A904-A908 WeakPolarHBondContact O-CB 3.41Å; A904-A908 PolarHBondContact O-N 2.85Å |
| 905 | R | 94.2 | Very high | 90.9 | Very high | 99 Ų | 99 | 83.3 Ų | 83.3 | 37% | 0.374 | 40% | 0.404 | S | S | . | . | H | α-helix | trans | -61.4 | -49.2 | 176.6 | -72.2 | 174.9 | 176.5 | -170.7 | -1.8 | 112.4 | L901 W902 N907 A908 A909 A937 V941 | L901-R905 WeakPolarHBondContact O-CG 3.26Å; L901-R905 PolarHBondContact O-N 3.02Å; W902-R905 PolarHBondContact O-N 2.92Å; R905-N907 VanDerWaalsContact C-N 3.34Å; R905-N907 PolarHBondContact O-N 3.47Å; R905-A908 PolarHBondContact O-N 2.84Å; R905-A909 PolarHBondContact O-N 2.97Å; R905-A909 VanDerWaalsContact O-N 3.12Å; R905-A937 HydrophobicContact CB-CB 4.25Å; R905-V941 HydrophobicContact CG-CG2 4.31Å |
| 906 | I | 95 | Very high | 91.7 | Very high | 0 Ų | 0 | 77.9 Ų | 77.9 | 0% | 0 | 39% | 0.388 | C | S | . | . | H | α-helix | trans | -62.5 | -42.7 | 178.9 | -63.2 | 162.6 | 0 | 0 | 0 | 110.5 | W902 I903 A908 A909 A910 Y917 F920 R933 L936 A937 F947 | W902-I906 WeakPolarHBondContact O-CB 3.49Å; W902-I906 WeakPolarHBondContact O-CD1 3.34Å; W902-I906 WeakPolarHBondContact O-CG1 3.42Å; W902-I906 PolarHBondContact O-N 3.31Å; I903-I906 PolarHBondContact O-N 3.01Å; I906-A908 VanDerWaalsContact C-N 3.35Å; I906-A908 PolarHBondContact O-N 3.12Å; I906-A909 PolarHBondContact O-N 3.27Å; I906-A910 WeakPolarHBondContact O-CB 3.47Å; I906-A910 PolarHBondContact O-N 3.08Å; I906-Y917 HydrophobicContact CB-CD2 4.29Å; I906-Y917 HydrophobicContact CB-CE2 4.24Å; I906-Y917 HydrophobicContact CG2-CD2 3.82Å; I906-Y917 HydrophobicContact CG2-CE2 3.9Å; I906-F920 HydrophobicContact CG2-CD1 3.96Å; I906-F920 HydrophobicContact CG2-CE1 3.86Å; I906-R933 HydrophobicContact CD1-CB 4.24Å; I906-R933 HydrophobicContact CD1-CG 4.34Å; I906-L936 HydrophobicContact CD1-CB 3.88Å; I906-L936 HydrophobicContact CG1-CB 4.24Å; I906-L936 HydrophobicContact CG2-CD2 4.41Å; I906-A937 HydrophobicContact CD1-CB 4.36Å; I906-A937 HydrophobicContact CG1-CB 4.09Å; I906-F947 HydrophobicContact CG2-CZ 4.27Å |
| 907 | N | 94.7 | Very high | 92.3 | Very high | 44 Ų | 44 | 70.1 Ų | 70.1 | 24% | 0.235 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -65.7 | -38 | -179.3 | -171 | 35.4 | 0 | 0 | 0 | 111.9 | I903 A904 R905 R911 Y917 | I903-N907 WeakPolarHBondContact O-CB 3.39Å; I903-N907 PolarHBondContact O-N 2.74Å; A904-N907 PolarHBondContact O-N 3.09Å; R905-N907 VanDerWaalsContact C-N 3.34Å; R905-N907 PolarHBondContact O-N 3.47Å; N907-R911 WeakPolarHBondContact O-CB 3.15Å; N907-R911 WeakPolarHBondContact O-CG 3.25Å; N907-R911 PolarHBondContact O-N 2.78Å; N907-Y917 WeakPolarHBondContact OD1-CB 3.3Å |
| 908 | A | 93.4 | Very high | 92.7 | Very high | 58 Ų | 58 | 69 Ų | 69 | 48% | 0.479 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -62 | -49.3 | 174.3 | 0 | 0 | 0 | 0 | 0 | 111.6 | A904 R905 I906 R911 Q912 | A904-A908 WeakPolarHBondContact O-CB 3.41Å; A904-A908 PolarHBondContact O-N 2.85Å; R905-A908 PolarHBondContact O-N 2.84Å; I906-A908 VanDerWaalsContact C-N 3.35Å; I906-A908 PolarHBondContact O-N 3.12Å; A908-R911 PolarHBondContact O-N 3.07Å; A908-Q912 PolarHBondContact O-N 3.49Å; A908-Q912 VanDerWaalsContact O-N 3.15Å |
| 909 | A | 94.1 | Very high | 93 | Very high | 9 Ų | 9 | 71.4 Ų | 71.4 | 7% | 0.074 | 37% | 0.374 | C | S | . | . | H | α-helix | trans | -67.7 | -37.9 | 179 | 0 | 0 | 0 | 0 | 0 | 113.1 | R905 I906 Q912 N913 A940 F947 | R905-A909 PolarHBondContact O-N 2.97Å; R905-A909 VanDerWaalsContact O-N 3.12Å; I906-A909 PolarHBondContact O-N 3.27Å; A909-Q912 PolarHBondContact O-N 3.12Å; A909-N913 PolarHBondContact O-N 3.4Å; A909-N913 PolarHBondContact O-ND2 2.72Å; A909-A940 HydrophobicContact CB-CB 3.81Å; A909-F947 HydrophobicContact CB-CD1 3.92Å; A909-F947 HydrophobicContact CB-CE1 3.49Å; A909-F947 VanDerWaalsContact CB-CE1 3.49Å; A909-F947 HydrophobicContact CB-CE2 4.27Å; A909-F947 HydrophobicContact CB-CG 4.48Å; A909-F947 HydrophobicContact CB-CZ 3.67Å |
| 910 | A | 93.7 | Very high | 93.3 | Very high | 0 Ų | 0 | 65.4 Ų | 65.4 | 0% | 0 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -63.6 | -43.2 | 175.8 | 0 | 0 | 0 | 0 | 0 | 111.6 | I906 Q912 N913 G914 I915 F920 | I906-A910 WeakPolarHBondContact O-CB 3.47Å; I906-A910 PolarHBondContact O-N 3.08Å; A910-Q912 VanDerWaalsContact C-N 3.34Å; A910-Q912 PolarHBondContact O-N 3.29Å; A910-N913 CarbonylContact O-C 3.54Å; A910-N913 PolarHBondContact O-N 2.77Å; A910-G914 PolarHBondContact O-N 3.09Å; A910-I915 CarbonylContact C-O 3.53Å; A910-I915 HydrophobicContact CB-CG2 4.09Å; A910-I915 WeakPolarHBondContact CB-O 3.46Å; A910-I915 PolarHBondContact O-N 2.83Å; A910-I915 VanDerWaalsContact O-N 3.12Å; A910-F920 HydrophobicContact CB-CD1 4.36Å |
| 911 | R | 92.7 | Very high | 93.5 | Very high | 180 Ų | 180 | 60.5 Ų | 60.5 | 68% | 0.679 | 33% | 0.329 | S | S | * | . | H | α-helix | trans | -61.4 | -40.7 | 175.3 | -81.8 | -176 | 176.7 | 178.1 | -2.3 | 112.4 | N907 A908 N913 G914 I915 | N907-R911 WeakPolarHBondContact O-CB 3.15Å; N907-R911 WeakPolarHBondContact O-CG 3.25Å; N907-R911 PolarHBondContact O-N 2.78Å; A908-R911 PolarHBondContact O-N 3.07Å; R911-N913 PolarHBondContact O-N 3.22Å; R911-G914 PolarHBondContact O-N 3.39Å; R911-G914 VanDerWaalsContact O-N 3.1Å; R911-I915 PolarHBondContact N-O 3.07Å |
| 912 | Q | 92.5 | Very high | 93.6 | Very high | 164 Ų | 164 | 60.4 Ų | 60.4 | 77% | 0.766 | 33% | 0.329 | S | S | * | . | H | α-helix | trans | -61.3 | -23.9 | 174.4 | -77.6 | -178.8 | -16.7 | 0 | 0 | 113.3 | A908 A909 A910 | A908-Q912 PolarHBondContact O-N 3.49Å; A908-Q912 VanDerWaalsContact O-N 3.15Å; A909-Q912 PolarHBondContact O-N 3.12Å; A910-Q912 VanDerWaalsContact C-N 3.34Å; A910-Q912 PolarHBondContact O-N 3.29Å |
| 913 | N | 92.6 | Very high | 93.6 | Very high | 33 Ų | 33 | 58 Ų | 58 | 18% | 0.176 | 32% | 0.32 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -100.5 | 13.6 | 177.2 | -70.9 | -83.9 | 0 | 0 | 0 | 113.6 | A909 A910 R911 V951 K955 | A909-N913 PolarHBondContact O-N 3.4Å; A909-N913 PolarHBondContact O-ND2 2.72Å; A910-N913 CarbonylContact O-C 3.54Å; A910-N913 PolarHBondContact O-N 2.77Å; R911-N913 PolarHBondContact O-N 3.22Å; N913-V951 HydrophobicContact CB-CB 4.22Å; N913-V951 HydrophobicContact CB-CG1 3.78Å; N913-V951 HydrophobicContact CB-CG2 4.06Å; N913-K955 WeakPolarHBondContact O-CE 3.49Å; N913-K955 PolarHBondContact O-NZ 3.31Å |
| 914 | G | 92.9 | Very high | 93.7 | Very high | 71 Ų | 71 | 56 Ų | 56 | 73% | 0.732 | 31% | 0.309 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 76.2 | 20.8 | 173.5 | 0 | 0 | 0 | 0 | 0 | 115.6 | A910 R911 | A910-G914 PolarHBondContact O-N 3.09Å; R911-G914 PolarHBondContact O-N 3.39Å; R911-G914 VanDerWaalsContact O-N 3.1Å |
| 915 | I | 93.8 | Very high | 93.6 | Very high | 13 Ų | 13 | 61 Ų | 61 | 7% | 0.067 | 32% | 0.32 | C | S | . | . | trans | -129.8 | 142.4 | 178.9 | -167.3 | 166.8 | 0 | 0 | 0 | 111.6 | A910 R911 K919 F920 V951 K955 L958 | A910-I915 CarbonylContact C-O 3.53Å; A910-I915 HydrophobicContact CB-CG2 4.09Å; A910-I915 WeakPolarHBondContact CB-O 3.46Å; A910-I915 PolarHBondContact O-N 2.83Å; A910-I915 VanDerWaalsContact O-N 3.12Å; R911-I915 PolarHBondContact N-O 3.07Å; I915-K919 HydrophobicContact CD1-CB 3.95Å; I915-K919 HydrophobicContact CG1-CB 3.62Å; I915-F920 HydrophobicContact CD1-CB 4.13Å; I915-F920 HydrophobicContact CG1-CB 4.21Å; I915-F920 HydrophobicContact CG2-CB 4Å; I915-F920 HydrophobicContact CG2-CG 4.46Å; I915-V951 HydrophobicContact CG2-CG1 3.73Å; I915-V951 HydrophobicContact CG2-CG2 4.41Å; I915-K955 HydrophobicContact CD1-CG 4.12Å; I915-L958 HydrophobicContact CD1-CD1 3.89Å | ||
| 916 | S | 94.2 | Very high | 93.6 | Very high | 54 Ų | 54 | 62.3 Ų | 62.3 | 38% | 0.378 | 33% | 0.328 | S | S | . | . | trans | -75.4 | 150.6 | 174.8 | 73.9 | 0 | 0 | 0 | 0 | 111.1 | S918 K919 F920 | S916-S918 PolarHBondContact O-N 2.66Å; S916-S918 VanDerWaalsContact O-N 3.16Å; S916-K919 PolarHBondContact O-N 3.15Å; S916-K919 VanDerWaalsContact O-N 3.09Å; S916-K919 PolarHBondContact OG-N 3.16Å; S916-F920 WeakPolarHBondContact O-CB 3.13Å; S916-F920 PolarHBondContact O-N 3.44Å | ||
| 917 | Y | 93.6 | Very high | 93.4 | Very high | 36 Ų | 36 | 63.6 Ų | 63.6 | 14% | 0.141 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -48.1 | -44.8 | 175 | 175.3 | -98.1 | 0 | 0 | 0 | 112.7 | I903 I906 N907 F920 I921 R933 | I903-Y917 HydrophobicContact CG1-CE2 4.38Å; I903-Y917 HydrophobicContact CG2-CD2 4.46Å; I903-Y917 HydrophobicContact CG2-CE1 4.37Å; I903-Y917 HydrophobicContact CG2-CE2 4.24Å; I906-Y917 HydrophobicContact CB-CD2 4.29Å; I906-Y917 HydrophobicContact CB-CE2 4.24Å; I906-Y917 HydrophobicContact CG2-CD2 3.82Å; I906-Y917 HydrophobicContact CG2-CE2 3.9Å; N907-Y917 WeakPolarHBondContact OD1-CB 3.3Å; Y917-F920 PolarHBondContact O-N 3.05Å; Y917-I921 HydrophobicContact CD1-CG1 4.49Å; Y917-I921 HydrophobicContact CD2-CG1 4.21Å; Y917-I921 HydrophobicContact CE1-CG1 4.06Å; Y917-I921 HydrophobicContact CE2-CD1 4.02Å; Y917-I921 HydrophobicContact CE2-CG1 3.73Å; Y917-I921 WeakPolarHBondContact O-CG1 3.36Å; Y917-I921 PolarHBondContact O-N 2.67Å; Y917-R933 PolarHBondContact OH-NE 3.49Å; Y917-R933 PolarHBondContact OH-NH2 3.21Å |
| 918 | S | 92.7 | Very high | 93.3 | Very high | 90 Ų | 90 | 66.6 Ų | 66.6 | 63% | 0.629 | 36% | 0.364 | S | S | * | . | H | α-helix | trans | -64.6 | -44.3 | -179.3 | -44 | 0 | 0 | 0 | 0 | 112.4 | S916 N922 | S916-S918 PolarHBondContact O-N 2.66Å; S916-S918 VanDerWaalsContact O-N 3.16Å; S918-N922 WeakPolarHBondContact O-CB 3.42Å; S918-N922 PolarHBondContact O-N 3.09Å |
| 919 | K | 93.5 | Very high | 93.1 | Very high | 133 Ų | 133 | 65.2 Ų | 65.2 | 58% | 0.578 | 35% | 0.349 | S | S | * | . | H | α-helix | trans | -65.5 | -47.1 | 176 | -78.7 | -172.5 | 176.6 | -175.1 | 0 | 110.4 | I915 S916 I921 N922 G923 L958 | I915-K919 HydrophobicContact CD1-CB 3.95Å; I915-K919 HydrophobicContact CG1-CB 3.62Å; S916-K919 PolarHBondContact O-N 3.15Å; S916-K919 VanDerWaalsContact O-N 3.09Å; S916-K919 PolarHBondContact OG-N 3.16Å; K919-I921 PolarHBondContact O-N 3.12Å; K919-N922 WeakPolarHBondContact O-CB 3.4Å; K919-N922 PolarHBondContact O-N 3.39Å; K919-N922 VanDerWaalsContact O-N 3.09Å; K919-G923 PolarHBondContact O-N 2.93Å; K919-L958 HydrophobicContact CB-CD1 4.19Å; K919-L958 WeakPolarHBondContact O-CD1 3.18Å |
| 920 | F | 95 | Very high | 92.8 | Very high | 0 Ų | 0 | 74.3 Ų | 74.3 | 0% | 0 | 39% | 0.39 | C | S | . | . | H | α-helix | trans | -57.4 | -48.7 | -179.1 | 176.8 | -128.5 | 0 | 0 | 0 | 113.2 | I906 A910 I915 S916 Y917 N922 G923 L924 L936 F947 L950 V951 A954 | I906-F920 HydrophobicContact CG2-CD1 3.96Å; I906-F920 HydrophobicContact CG2-CE1 3.86Å; A910-F920 HydrophobicContact CB-CD1 4.36Å; I915-F920 HydrophobicContact CD1-CB 4.13Å; I915-F920 HydrophobicContact CG1-CB 4.21Å; I915-F920 HydrophobicContact CG2-CB 4Å; I915-F920 HydrophobicContact CG2-CG 4.46Å; S916-F920 WeakPolarHBondContact O-CB 3.13Å; S916-F920 PolarHBondContact O-N 3.44Å; Y917-F920 PolarHBondContact O-N 3.05Å; F920-N922 VanDerWaalsContact C-N 3.29Å; F920-N922 PolarHBondContact O-N 2.77Å; F920-G923 PolarHBondContact O-N 2.65Å; F920-L924 HydrophobicContact CD1-CD1 4.37Å; F920-L924 HydrophobicContact CD2-CD1 4.34Å; F920-L924 HydrophobicContact CD2-CG 4.34Å; F920-L924 HydrophobicContact CE1-CD1 3.93Å; F920-L924 HydrophobicContact CE2-CD1 3.86Å; F920-L924 HydrophobicContact CE2-CD2 4.27Å; F920-L924 HydrophobicContact CE2-CG 3.97Å; F920-L924 HydrophobicContact CZ-CD1 3.65Å; F920-L924 HydrophobicContact CZ-CG 4.27Å; F920-L924 PolarHBondContact O-N 3.29Å; F920-L936 HydrophobicContact CE1-CD2 3.42Å; F920-L936 VanDerWaalsContact CE1-CD2 3.42Å; F920-L936 HydrophobicContact CZ-CD2 3.66Å; F920-F947 HydrophobicContact CE1-CE2 4.12Å; F920-F947 AromaticContact CE1-CZ 3.72Å; F920-F947 HydrophobicContact CE1-CZ 3.72Å; F920-F947 HydrophobicContact CZ-CE1 4.47Å; F920-F947 HydrophobicContact CZ-CE2 4.24Å; F920-F947 AromaticContact CZ-CZ 3.96Å; F920-F947 HydrophobicContact CZ-CZ 3.96Å; F920-L950 HydrophobicContact CE2-CB 4.45Å; F920-L950 HydrophobicContact CZ-CB 4.44Å; F920-V951 HydrophobicContact CD2-CG2 4.02Å; F920-V951 HydrophobicContact CE2-CB 4.37Å; F920-V951 HydrophobicContact CE2-CG2 3.68Å; F920-V951 HydrophobicContact CZ-CG2 4.15Å; F920-A954 HydrophobicContact CD2-CB 3.76Å; F920-A954 HydrophobicContact CE2-CB 4.04Å |
| 921 | I | 93.9 | Very high | 92.6 | Very high | 41 Ų | 41 | 77 Ų | 77 | 21% | 0.21 | 40% | 0.404 | C | S | . | . | H | α-helix | trans | -64 | -35.1 | 176.9 | -64.7 | -63.9 | 0 | 0 | 0 | 111.8 | Y917 K919 L924 K925 | Y917-I921 HydrophobicContact CD1-CG1 4.49Å; Y917-I921 HydrophobicContact CD2-CG1 4.21Å; Y917-I921 HydrophobicContact CE1-CG1 4.06Å; Y917-I921 HydrophobicContact CE2-CD1 4.02Å; Y917-I921 HydrophobicContact CE2-CG1 3.73Å; Y917-I921 WeakPolarHBondContact O-CG1 3.36Å; Y917-I921 PolarHBondContact O-N 2.67Å; K919-I921 PolarHBondContact O-N 3.12Å; I921-L924 HydrophobicContact CD1-CD1 4.47Å; I921-K925 PolarHBondContact O-N 3.45Å |
| 922 | N | 93.1 | Very high | 92.5 | Very high | 81 Ų | 81 | 72.3 Ų | 72.3 | 43% | 0.433 | 39% | 0.392 | S | S | . | . | H | α-helix | trans | -67.9 | -41.7 | 175.7 | -166.2 | 30.7 | 0 | 0 | 0 | 111.8 | S918 K919 F920 K925 K926 L958 | S918-N922 WeakPolarHBondContact O-CB 3.42Å; S918-N922 PolarHBondContact O-N 3.09Å; K919-N922 WeakPolarHBondContact O-CB 3.4Å; K919-N922 PolarHBondContact O-N 3.39Å; K919-N922 VanDerWaalsContact O-N 3.09Å; F920-N922 VanDerWaalsContact C-N 3.29Å; F920-N922 PolarHBondContact O-N 2.77Å; N922-K925 WeakPolarHBondContact O-CB 3.3Å; N922-K925 PolarHBondContact O-N 2.95Å; N922-K926 PolarHBondContact O-N 2.92Å; N922-L958 HydrophobicContact CB-CD2 4.44Å |
| 923 | G | 94.6 | Very high | 92.4 | Very high | 0 Ų | 0 | 68.2 Ų | 68.2 | 0% | 0 | 37% | 0.37 | C | S | . | . | H | α-helix | trans | -63.8 | -41.7 | 176 | 0 | 0 | 0 | 0 | 0 | 112.7 | K919 F920 K925 K926 A927 A954 | K919-G923 PolarHBondContact O-N 2.93Å; F920-G923 PolarHBondContact O-N 2.65Å; G923-K925 VanDerWaalsContact C-N 3.31Å; G923-K925 PolarHBondContact O-N 2.91Å; G923-K926 PolarHBondContact O-N 3.34Å; G923-A927 VanDerWaalsContact O-CB 3.32Å; G923-A927 WeakPolarHBondContact O-CB 3.13Å; G923-A927 PolarHBondContact O-N 3.01Å; G923-A954 WeakPolarHBondContact CA-O 3.38Å |
| 924 | L | 94.3 | Very high | 92.4 | Very high | 9 Ų | 9 | 71.5 Ų | 71.5 | 5% | 0.047 | 38% | 0.383 | C | S | . | . | H | α-helix | trans | -60.6 | -39 | 173.8 | -73.7 | 172.1 | 0 | 0 | 0 | 112.6 | F920 I921 A927 S928 V929 L936 L950 A954 | F920-L924 HydrophobicContact CD1-CD1 4.37Å; F920-L924 HydrophobicContact CD2-CD1 4.34Å; F920-L924 HydrophobicContact CD2-CG 4.34Å; F920-L924 HydrophobicContact CE1-CD1 3.93Å; F920-L924 HydrophobicContact CE2-CD1 3.86Å; F920-L924 HydrophobicContact CE2-CD2 4.27Å; F920-L924 HydrophobicContact CE2-CG 3.97Å; F920-L924 HydrophobicContact CZ-CD1 3.65Å; F920-L924 HydrophobicContact CZ-CG 4.27Å; F920-L924 PolarHBondContact O-N 3.29Å; I921-L924 HydrophobicContact CD1-CD1 4.47Å; L924-A927 PolarHBondContact O-N 3.34Å; L924-S928 PolarHBondContact O-N 2.99Å; L924-V929 HydrophobicContact CD2-CB 3.92Å; L924-V929 HydrophobicContact CD2-CG1 3.93Å; L924-V929 HydrophobicContact CD2-CG2 4.45Å; L924-V929 PolarHBondContact O-N 3.43Å; L924-L936 HydrophobicContact CD1-CD1 3.87Å; L924-L936 HydrophobicContact CD1-CD2 4.31Å; L924-L950 HydrophobicContact CD2-CD2 4.12Å; L924-A954 HydrophobicContact CD2-CB 4.44Å; L924-A954 HydrophobicContact CG-CB 4.29Å |
| 925 | K | 92.1 | Very high | 92.4 | Very high | 167 Ų | 167 | 72.2 Ų | 72.2 | 73% | 0.726 | 37% | 0.369 | S | S | * | . | H | α-helix | trans | -64.5 | -44.7 | 174.3 | -93.6 | -173.1 | 170.8 | -168.8 | 0 | 112.5 | I921 N922 G923 A927 S928 | I921-K925 PolarHBondContact O-N 3.45Å; N922-K925 WeakPolarHBondContact O-CB 3.3Å; N922-K925 PolarHBondContact O-N 2.95Å; G923-K925 VanDerWaalsContact C-N 3.31Å; G923-K925 PolarHBondContact O-N 2.91Å; K925-A927 VanDerWaalsContact C-N 3.28Å; K925-A927 PolarHBondContact O-N 3.01Å; K925-S928 PolarHBondContact O-N 3.46Å |
| 926 | K | 92.4 | Very high | 92.4 | Very high | 125 Ų | 125 | 71.8 Ų | 71.8 | 54% | 0.543 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -65.2 | -32.9 | 176.2 | -76.8 | -169.5 | 173.2 | -169.4 | 0 | 112.5 | N922 G923 S928 A957 | N922-K926 PolarHBondContact O-N 2.92Å; G923-K926 PolarHBondContact O-N 3.34Å; K926-S928 PolarHBondContact O-N 3.19Å; K926-A957 HydrophobicContact CB-CB 3.96Å; K926-A957 WeakPolarHBondContact CD-O 3.23Å |
| 927 | A | 92.1 | Very high | 92.4 | Very high | 28 Ų | 28 | 69.2 Ų | 69.2 | 23% | 0.231 | 35% | 0.348 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -80.1 | 3.7 | 176.6 | 0 | 0 | 0 | 0 | 0 | 114.1 | G923 L924 K925 V929 A957 | G923-A927 VanDerWaalsContact O-CB 3.32Å; G923-A927 WeakPolarHBondContact O-CB 3.13Å; G923-A927 PolarHBondContact O-N 3.01Å; L924-A927 PolarHBondContact O-N 3.34Å; K925-A927 VanDerWaalsContact C-N 3.28Å; K925-A927 PolarHBondContact O-N 3.01Å; A927-V929 HydrophobicContact CB-CG2 4.08Å; A927-V929 PolarHBondContact O-N 3.35Å; A927-A957 HydrophobicContact CB-CB 3.84Å |
| 928 | S | 92.2 | Very high | 92.4 | Very high | 106 Ų | 106 | 70.2 Ų | 70.2 | 74% | 0.741 | 36% | 0.356 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 54.1 | 34.2 | -175.8 | -59.3 | 0 | 0 | 0 | 0 | 114 | L924 K925 K926 | L924-S928 PolarHBondContact O-N 2.99Å; K925-S928 PolarHBondContact O-N 3.46Å; K926-S928 PolarHBondContact O-N 3.19Å |
| 929 | V | 88.7 | Confident | 92.5 | Very high | 30 Ų | 30 | 67.6 Ų | 67.6 | 18% | 0.182 | 34% | 0.335 | C | S | . | . | trans | -95.9 | 104.9 | 177.1 | 178.8 | 0 | 0 | 0 | 0 | 109.8 | L924 A927 I931 L950 K953 | L924-V929 HydrophobicContact CD2-CB 3.92Å; L924-V929 HydrophobicContact CD2-CG1 3.93Å; L924-V929 HydrophobicContact CD2-CG2 4.45Å; L924-V929 PolarHBondContact O-N 3.43Å; A927-V929 HydrophobicContact CB-CG2 4.08Å; A927-V929 PolarHBondContact O-N 3.35Å; V929-I931 HydrophobicContact CG1-CD1 3.64Å; V929-I931 HydrophobicContact CG1-CG1 3.76Å; V929-I931 PolarHBondContact O-N 3.07Å; V929-L950 HydrophobicContact CG1-CD2 4.08Å; V929-K953 HydrophobicContact CG2-CD 4.45Å | ||
| 930 | E | 88 | Confident | 92.5 | Very high | 200 Ų | 200 | 62.3 Ų | 62.3 | 94% | 0.935 | 32% | 0.316 | S | S | * | . | trans | -91.7 | 88.8 | 176.7 | -66.5 | -160.6 | 151.6 | 0 | 0 | 111.6 | ||||
| 931 | I | 89.6 | Confident | 92.3 | Very high | 56 Ų | 56 | 65.9 Ų | 65.9 | 29% | 0.287 | 34% | 0.338 | S | S | . | . | trans | -117.9 | 131.5 | 172.8 | -62.7 | 174.1 | 0 | 0 | 0 | 110 | V929 I935 L936 L950 | V929-I931 HydrophobicContact CG1-CD1 3.64Å; V929-I931 HydrophobicContact CG1-CG1 3.76Å; V929-I931 PolarHBondContact O-N 3.07Å; I931-I935 HydrophobicContact CG2-CB 3.87Å; I931-I935 HydrophobicContact CG2-CG2 3.79Å; I931-L936 HydrophobicContact CB-CD1 3.86Å; I931-L936 HydrophobicContact CB-CG 4.36Å; I931-L936 HydrophobicContact CG2-CB 4.18Å; I931-L936 HydrophobicContact CG2-CD1 3.75Å; I931-L936 HydrophobicContact CG2-CG 3.79Å; I931-L950 HydrophobicContact CD1-CD1 4.06Å; I931-L950 HydrophobicContact CD1-CD2 3.86Å | ||
| 932 | D | 90.1 | Very high | 92.4 | Very high | 81 Ų | 81 | 71.8 Ų | 71.8 | 43% | 0.433 | 36% | 0.362 | S | S | . | . | trans | -64.8 | 139.9 | 173.4 | 146.8 | 35.4 | 0 | 0 | 0 | 111.3 | K934 I935 L936 | D932-K934 PolarHBondContact O-N 3.08Å; D932-K934 VanDerWaalsContact O-N 3.14Å; D932-K934 WeakPolarHBondContact OD1-CB 3.22Å; D932-K934 PolarHBondContact OD1-N 3.2Å; D932-K934 WeakPolarHBondContact OD2-CB 3.49Å; D932-I935 HydrophobicContact CB-CD1 4.33Å; D932-I935 HydrophobicContact CB-CG1 4.42Å; D932-I935 PolarHBondContact O-N 2.95Å; D932-L936 PolarHBondContact O-N 2.67Å | ||
| 933 | R | 90.1 | Very high | 92.4 | Very high | 79 Ų | 79 | 71.3 Ų | 71.3 | 30% | 0.298 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -52.8 | -33.1 | 177.3 | -75.4 | -174.7 | 177.9 | 86.3 | 5.5 | 114.1 | W902 I906 Y917 A937 | W902-R933 HydrophobicContact CB-CB 4.45Å; W902-R933 HydrophobicContact CE3-CB 4.16Å; I906-R933 HydrophobicContact CD1-CB 4.24Å; I906-R933 HydrophobicContact CD1-CG 4.34Å; Y917-R933 PolarHBondContact OH-NE 3.49Å; Y917-R933 PolarHBondContact OH-NH2 3.21Å; R933-A937 WeakPolarHBondContact O-CB 3.37Å; R933-A937 PolarHBondContact O-N 3.11Å |
| 934 | K | 92.6 | Very high | 92.3 | Very high | 102 Ų | 102 | 79 Ų | 79 | 44% | 0.443 | 39% | 0.393 | S | S | . | . | H | α-helix | trans | -64.6 | -52.4 | 176.2 | -178.2 | -166.7 | 169.8 | -161.1 | 0 | 110 | W902 D932 L936 A937 D938 | W902-K934 HydrophobicContact CD2-CB 4.11Å; W902-K934 HydrophobicContact CE3-CB 4.28Å; W902-K934 HydrophobicContact CH2-CB 3.87Å; W902-K934 HydrophobicContact CH2-CG 4.26Å; W902-K934 HydrophobicContact CZ2-CB 3.66Å; W902-K934 HydrophobicContact CZ2-CD 4.09Å; W902-K934 HydrophobicContact CZ2-CG 3.63Å; W902-K934 HydrophobicContact CZ3-CB 4.16Å; D932-K934 PolarHBondContact O-N 3.08Å; D932-K934 VanDerWaalsContact O-N 3.14Å; D932-K934 WeakPolarHBondContact OD1-CB 3.22Å; D932-K934 PolarHBondContact OD1-N 3.2Å; D932-K934 WeakPolarHBondContact OD2-CB 3.49Å; K934-L936 VanDerWaalsContact C-N 3.31Å; K934-L936 PolarHBondContact O-N 2.93Å; K934-A937 PolarHBondContact O-N 2.77Å; K934-A937 VanDerWaalsContact O-N 3.14Å; K934-D938 PolarHBondContact O-N 2.86Å |
| 935 | I | 93.6 | Very high | 92.3 | Very high | 86 Ų | 86 | 84.2 Ų | 84.2 | 44% | 0.441 | 43% | 0.425 | S | S | . | . | H | α-helix | trans | -59.8 | -45.5 | 177.6 | -61.9 | 176.3 | 0 | 0 | 0 | 110 | I931 D932 A937 D938 I939 | I931-I935 HydrophobicContact CG2-CB 3.87Å; I931-I935 HydrophobicContact CG2-CG2 3.79Å; D932-I935 HydrophobicContact CB-CD1 4.33Å; D932-I935 HydrophobicContact CB-CG1 4.42Å; D932-I935 PolarHBondContact O-N 2.95Å; I935-A937 VanDerWaalsContact C-N 3.28Å; I935-A937 PolarHBondContact O-N 3.09Å; I935-D938 PolarHBondContact O-N 2.71Å; I935-D938 VanDerWaalsContact O-N 3.14Å; I935-I939 HydrophobicContact CG2-CD1 3.74Å; I935-I939 HydrophobicContact CG2-CG1 4.27Å; I935-I939 VanDerWaalsContact O-CG1 3.28Å; I935-I939 WeakPolarHBondContact O-CG1 3.45Å; I935-I939 PolarHBondContact O-N 2.77Å |
| 936 | L | 94.1 | Very high | 92.4 | Very high | 3 Ų | 3 | 77.9 Ų | 77.9 | 2% | 0.016 | 40% | 0.403 | C | S | . | . | H | α-helix | trans | -58.7 | -38.2 | 175.9 | -113.9 | 147.7 | 0 | 0 | 0 | 113 | I906 F920 L924 I931 D932 K934 A940 F947 | I906-L936 HydrophobicContact CD1-CB 3.88Å; I906-L936 HydrophobicContact CG1-CB 4.24Å; I906-L936 HydrophobicContact CG2-CD2 4.41Å; F920-L936 HydrophobicContact CE1-CD2 3.42Å; F920-L936 VanDerWaalsContact CE1-CD2 3.42Å; F920-L936 HydrophobicContact CZ-CD2 3.66Å; L924-L936 HydrophobicContact CD1-CD1 3.87Å; L924-L936 HydrophobicContact CD1-CD2 4.31Å; I931-L936 HydrophobicContact CB-CD1 3.86Å; I931-L936 HydrophobicContact CB-CG 4.36Å; I931-L936 HydrophobicContact CG2-CB 4.18Å; I931-L936 HydrophobicContact CG2-CD1 3.75Å; I931-L936 HydrophobicContact CG2-CG 3.79Å; D932-L936 PolarHBondContact O-N 2.67Å; K934-L936 VanDerWaalsContact C-N 3.31Å; K934-L936 PolarHBondContact O-N 2.93Å; L936-A940 VanDerWaalsContact O-CB 3.28Å; L936-A940 WeakPolarHBondContact O-CB 3.21Å; L936-A940 PolarHBondContact O-N 3.07Å; L936-F947 HydrophobicContact CD2-CE2 3.81Å |
| 937 | A | 94 | Very high | 92.5 | Very high | 0 Ų | 0 | 72.1 Ų | 72.1 | 0% | 0 | 38% | 0.378 | C | S | . | . | H | α-helix | trans | -74.9 | -31 | 176.3 | 0 | 0 | 0 | 0 | 0 | 113.1 | W902 R905 I906 R933 K934 I935 V941 | W902-A937 HydrophobicContact CB-CB 3.78Å; W902-A937 HydrophobicContact CG-CB 3.99Å; R905-A937 HydrophobicContact CB-CB 4.25Å; I906-A937 HydrophobicContact CD1-CB 4.36Å; I906-A937 HydrophobicContact CG1-CB 4.09Å; R933-A937 WeakPolarHBondContact O-CB 3.37Å; R933-A937 PolarHBondContact O-N 3.11Å; K934-A937 PolarHBondContact O-N 2.77Å; K934-A937 VanDerWaalsContact O-N 3.14Å; I935-A937 VanDerWaalsContact C-N 3.28Å; I935-A937 PolarHBondContact O-N 3.09Å; A937-V941 VanDerWaalsContact O-CG2 3.29Å; A937-V941 WeakPolarHBondContact O-CG2 3.4Å; A937-V941 PolarHBondContact O-N 3.14Å |
| 938 | D | 94.1 | Very high | 92.7 | Very high | 57 Ų | 57 | 72.9 Ų | 72.9 | 31% | 0.305 | 38% | 0.38 | S | S | . | . | H | α-helix | trans | -71.6 | -44.6 | 173 | -75.2 | -20.5 | 0 | 0 | 0 | 110.3 | K934 I935 A940 V941 F942 | K934-D938 PolarHBondContact O-N 2.86Å; I935-D938 PolarHBondContact O-N 2.71Å; I935-D938 VanDerWaalsContact O-N 3.14Å; D938-A940 VanDerWaalsContact C-N 3.3Å; D938-A940 PolarHBondContact O-N 2.9Å; D938-V941 PolarHBondContact O-N 3.03Å; D938-F942 HydrophobicContact CB-CD2 4.28Å; D938-F942 VanDerWaalsContact O-CD2 3.26Å; D938-F942 WeakPolarHBondContact O-CD2 3.4Å; D938-F942 PolarHBondContact O-N 3.2Å |
| 939 | I | 94.6 | Very high | 92.8 | Very high | 36 Ų | 36 | 70.8 Ų | 70.8 | 19% | 0.185 | 37% | 0.369 | C | S | . | . | H | α-helix | trans | -58.3 | -43.9 | 173 | -65.4 | 169.4 | 0 | 0 | 0 | 110.3 | I935 V941 F942 D943 A946 F947 L950 | I935-I939 HydrophobicContact CG2-CD1 3.74Å; I935-I939 HydrophobicContact CG2-CG1 4.27Å; I935-I939 VanDerWaalsContact O-CG1 3.28Å; I935-I939 WeakPolarHBondContact O-CG1 3.45Å; I935-I939 PolarHBondContact O-N 2.77Å; I939-V941 PolarHBondContact O-N 2.85Å; I939-V941 VanDerWaalsContact O-N 3.13Å; I939-F942 PolarHBondContact O-N 2.9Å; I939-D943 HydrophobicContact CG2-CB 4.45Å; I939-D943 CarbonylContact O-C 3.59Å; I939-D943 VanDerWaalsContact O-C 3.31Å; I939-D943 PolarHBondContact O-N 2.75Å; I939-D943 VanDerWaalsContact O-O 3.05Å; I939-A946 HydrophobicContact CG2-CB 4.01Å; I939-F947 HydrophobicContact CG2-CB 3.94Å; I939-F947 HydrophobicContact CG2-CD2 4.15Å; I939-L950 HydrophobicContact CD1-CD1 4.34Å; I939-L950 HydrophobicContact CG2-CD1 4.44Å |
| 940 | A | 92.6 | Very high | 93.1 | Very high | 22 Ų | 22 | 70.5 Ų | 70.5 | 18% | 0.182 | 37% | 0.367 | C | S | . | . | H | α-helix | trans | -58.4 | -25.9 | 176.7 | 0 | 0 | 0 | 0 | 0 | 114.2 | A909 L936 D938 F947 | A909-A940 HydrophobicContact CB-CB 3.81Å; L936-A940 VanDerWaalsContact O-CB 3.28Å; L936-A940 WeakPolarHBondContact O-CB 3.21Å; L936-A940 PolarHBondContact O-N 3.07Å; D938-A940 VanDerWaalsContact C-N 3.3Å; D938-A940 PolarHBondContact O-N 2.9Å; A940-F947 HydrophobicContact CB-CD2 3.66Å; A940-F947 HydrophobicContact CB-CE2 3.56Å; A940-F947 HydrophobicContact CB-CG 4.42Å; A940-F947 HydrophobicContact CB-CZ 4.28Å |
| 941 | V | 92.4 | Very high | 93.4 | Very high | 74 Ų | 74 | 61 Ų | 61 | 45% | 0.448 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -96.2 | -42.7 | -177.7 | 172.1 | 0 | 0 | 0 | 0 | 111.7 | R905 A937 D938 I939 | R905-V941 HydrophobicContact CG-CG2 4.31Å; A937-V941 VanDerWaalsContact O-CG2 3.29Å; A937-V941 WeakPolarHBondContact O-CG2 3.4Å; A937-V941 PolarHBondContact O-N 3.14Å; D938-V941 PolarHBondContact O-N 3.03Å; I939-V941 PolarHBondContact O-N 2.85Å; I939-V941 VanDerWaalsContact O-N 3.13Å |
| 942 | F | 94.7 | Very high | 93.6 | Very high | 165 Ų | 165 | 63 Ų | 63 | 72% | 0.724 | 33% | 0.331 | S | S | * | . | H | α-helix | trans | -103.6 | -21.6 | -168.3 | -62.8 | -68.3 | 0 | 0 | 0 | 114.2 | D938 I939 | D938-F942 HydrophobicContact CB-CD2 4.28Å; D938-F942 VanDerWaalsContact O-CD2 3.26Å; D938-F942 WeakPolarHBondContact O-CD2 3.4Å; D938-F942 PolarHBondContact O-N 3.2Å; I939-F942 PolarHBondContact O-N 2.9Å |
| 943 | D | 93.3 | Very high | 93.8 | Very high | 71 Ų | 71 | 65.3 Ų | 65.3 | 38% | 0.38 | 34% | 0.337 | S | S | . | . | trans | -137.2 | 86.2 | -176 | -168.7 | -17 | 0 | 0 | 0 | 111.7 | I939 V945 A946 F947 | I939-D943 HydrophobicContact CG2-CB 4.45Å; I939-D943 CarbonylContact O-C 3.59Å; I939-D943 VanDerWaalsContact O-C 3.31Å; I939-D943 PolarHBondContact O-N 2.75Å; I939-D943 VanDerWaalsContact O-O 3.05Å; D943-V945 PolarHBondContact O-N 3.23Å; D943-V945 PolarHBondContact OD1-N 3.37Å; D943-V945 VanDerWaalsContact OD1-N 3.11Å; D943-A946 HydrophobicContact CB-CB 4.11Å; D943-A946 PolarHBondContact OD1-N 3.14Å; D943-A946 VanDerWaalsContact OD2-CB 3.24Å; D943-A946 WeakPolarHBondContact OD2-CB 3.48Å; D943-F947 WeakPolarHBondContact O-CB 3.45Å; D943-F947 PolarHBondContact O-N 3.17Å | ||
| 944 | K | 92.7 | Very high | 93.9 | Very high | 162 Ų | 162 | 61.6 Ų | 61.6 | 70% | 0.704 | 32% | 0.323 | S | S | * | . | H | α-helix | trans | -59.7 | -36.3 | 177.7 | -172.2 | -179.9 | 178.5 | -174.6 | 0 | 111.9 | T948 | K944-T948 WeakPolarHBondContact O-CB 3.42Å; K944-T948 PolarHBondContact O-N 3.38Å; K944-T948 PolarHBondContact O-OG1 2.74Å |
| 945 | V | 93.7 | Very high | 94 | Very high | 119 Ų | 119 | 60.3 Ų | 60.3 | 72% | 0.721 | 32% | 0.317 | S | S | * | . | H | α-helix | trans | -69.9 | -50 | -175.8 | -179.8 | 0 | 0 | 0 | 0 | 109.9 | D943 F947 T948 A949 | D943-V945 PolarHBondContact O-N 3.23Å; D943-V945 PolarHBondContact OD1-N 3.37Å; D943-V945 VanDerWaalsContact OD1-N 3.11Å; V945-F947 VanDerWaalsContact C-N 3.34Å; V945-F947 PolarHBondContact O-N 2.98Å; V945-T948 PolarHBondContact O-N 2.96Å; V945-A949 PolarHBondContact O-N 3.07Å; V945-A949 VanDerWaalsContact O-N 3.07Å |
| 946 | A | 94.5 | Very high | 93.9 | Very high | 33 Ų | 33 | 59.6 Ų | 59.6 | 27% | 0.273 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -63.2 | -38.7 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.4 | I939 D943 T948 A949 L950 | I939-A946 HydrophobicContact CG2-CB 4.01Å; D943-A946 HydrophobicContact CB-CB 4.11Å; D943-A946 PolarHBondContact OD1-N 3.14Å; D943-A946 VanDerWaalsContact OD2-CB 3.24Å; D943-A946 WeakPolarHBondContact OD2-CB 3.48Å; A946-T948 VanDerWaalsContact C-N 3.34Å; A946-T948 PolarHBondContact O-N 2.72Å; A946-A949 PolarHBondContact O-N 2.96Å; A946-L950 PolarHBondContact O-N 3.18Å; A946-L950 VanDerWaalsContact O-N 3.1Å |
| 947 | F | 95.8 | Very high | 93.8 | Very high | 4 Ų | 4 | 60.6 Ų | 60.6 | 2% | 0.018 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -63 | -41.6 | 176 | -163 | -90.6 | 0 | 0 | 0 | 111.9 | I906 A909 F920 L936 I939 A940 D943 V945 L950 V951 | I906-F947 HydrophobicContact CG2-CZ 4.27Å; A909-F947 HydrophobicContact CB-CD1 3.92Å; A909-F947 HydrophobicContact CB-CE1 3.49Å; A909-F947 VanDerWaalsContact CB-CE1 3.49Å; A909-F947 HydrophobicContact CB-CE2 4.27Å; A909-F947 HydrophobicContact CB-CG 4.48Å; A909-F947 HydrophobicContact CB-CZ 3.67Å; F920-F947 HydrophobicContact CE1-CE2 4.12Å; F920-F947 AromaticContact CE1-CZ 3.72Å; F920-F947 HydrophobicContact CE1-CZ 3.72Å; F920-F947 HydrophobicContact CZ-CE1 4.47Å; F920-F947 HydrophobicContact CZ-CE2 4.24Å; F920-F947 AromaticContact CZ-CZ 3.96Å; F920-F947 HydrophobicContact CZ-CZ 3.96Å; L936-F947 HydrophobicContact CD2-CE2 3.81Å; I939-F947 HydrophobicContact CG2-CB 3.94Å; I939-F947 HydrophobicContact CG2-CD2 4.15Å; A940-F947 HydrophobicContact CB-CD2 3.66Å; A940-F947 HydrophobicContact CB-CE2 3.56Å; A940-F947 HydrophobicContact CB-CG 4.42Å; A940-F947 HydrophobicContact CB-CZ 4.28Å; D943-F947 WeakPolarHBondContact O-CB 3.45Å; D943-F947 PolarHBondContact O-N 3.17Å; V945-F947 VanDerWaalsContact C-N 3.34Å; V945-F947 PolarHBondContact O-N 2.98Å; F947-L950 WeakPolarHBondContact O-CB 3.37Å; F947-L950 PolarHBondContact O-N 3.48Å; F947-V951 HydrophobicContact CD1-CG2 3.94Å; F947-V951 HydrophobicContact CE1-CG2 3.7Å; F947-V951 WeakPolarHBondContact O-CG2 3.43Å; F947-V951 PolarHBondContact O-N 3.13Å |
| 948 | T | 94.8 | Very high | 93.5 | Very high | 44 Ų | 44 | 63.1 Ų | 63.1 | 27% | 0.27 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -64 | -43 | 178.8 | -52.3 | 0 | 0 | 0 | 0 | 111 | K944 V945 A946 L950 V951 E952 | K944-T948 WeakPolarHBondContact O-CB 3.42Å; K944-T948 PolarHBondContact O-N 3.38Å; K944-T948 PolarHBondContact O-OG1 2.74Å; V945-T948 PolarHBondContact O-N 2.96Å; A946-T948 VanDerWaalsContact C-N 3.34Å; A946-T948 PolarHBondContact O-N 2.72Å; T948-L950 VanDerWaalsContact C-N 3.32Å; T948-L950 PolarHBondContact O-N 3.35Å; T948-V951 PolarHBondContact O-N 3.39Å; T948-V951 VanDerWaalsContact O-N 3.1Å; T948-E952 PolarHBondContact O-N 2.89Å |
| 949 | A | 94.6 | Very high | 93 | Very high | 62 Ų | 62 | 66.8 Ų | 66.8 | 51% | 0.512 | 38% | 0.384 | S | S | . | . | H | α-helix | trans | -60.9 | -38.7 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.8 | V945 A946 V951 E952 K953 | V945-A949 PolarHBondContact O-N 3.07Å; V945-A949 VanDerWaalsContact O-N 3.07Å; A946-A949 PolarHBondContact O-N 2.96Å; A949-V951 VanDerWaalsContact C-N 3.34Å; A949-E952 PolarHBondContact O-N 2.89Å; A949-K953 WeakPolarHBondContact O-CB 3.33Å; A949-K953 PolarHBondContact O-N 3.31Å |
| 950 | L | 95 | Very high | 92.9 | Very high | 24 Ų | 24 | 68.3 Ų | 68.3 | 13% | 0.126 | 39% | 0.394 | C | S | . | . | H | α-helix | trans | -64.5 | -37.7 | 173.8 | -76.1 | 167.8 | 0 | 0 | 0 | 112.3 | F920 L924 V929 I931 I939 A946 F947 T948 A954 | F920-L950 HydrophobicContact CE2-CB 4.45Å; F920-L950 HydrophobicContact CZ-CB 4.44Å; L924-L950 HydrophobicContact CD2-CD2 4.12Å; V929-L950 HydrophobicContact CG1-CD2 4.08Å; I931-L950 HydrophobicContact CD1-CD1 4.06Å; I931-L950 HydrophobicContact CD1-CD2 3.86Å; I939-L950 HydrophobicContact CD1-CD1 4.34Å; I939-L950 HydrophobicContact CG2-CD1 4.44Å; A946-L950 PolarHBondContact O-N 3.18Å; A946-L950 VanDerWaalsContact O-N 3.1Å; F947-L950 WeakPolarHBondContact O-CB 3.37Å; F947-L950 PolarHBondContact O-N 3.48Å; T948-L950 VanDerWaalsContact C-N 3.32Å; T948-L950 PolarHBondContact O-N 3.35Å; L950-A954 VanDerWaalsContact O-CB 3.32Å; L950-A954 WeakPolarHBondContact O-CB 3.44Å; L950-A954 PolarHBondContact O-N 3.3Å |
| 951 | V | 94.5 | Very high | 92.9 | Very high | 0 Ų | 0 | 70.7 Ų | 70.7 | 0% | 0 | 41% | 0.405 | C | S | . | . | H | α-helix | trans | -67.3 | -44.7 | 177.3 | 171.8 | 0 | 0 | 0 | 0 | 111.3 | N913 I915 F920 F947 T948 A949 K953 A954 K955 | N913-V951 HydrophobicContact CB-CB 4.22Å; N913-V951 HydrophobicContact CB-CG1 3.78Å; N913-V951 HydrophobicContact CB-CG2 4.06Å; I915-V951 HydrophobicContact CG2-CG1 3.73Å; I915-V951 HydrophobicContact CG2-CG2 4.41Å; F920-V951 HydrophobicContact CD2-CG2 4.02Å; F920-V951 HydrophobicContact CE2-CB 4.37Å; F920-V951 HydrophobicContact CE2-CG2 3.68Å; F920-V951 HydrophobicContact CZ-CG2 4.15Å; F947-V951 HydrophobicContact CD1-CG2 3.94Å; F947-V951 HydrophobicContact CE1-CG2 3.7Å; F947-V951 WeakPolarHBondContact O-CG2 3.43Å; F947-V951 PolarHBondContact O-N 3.13Å; T948-V951 PolarHBondContact O-N 3.39Å; T948-V951 VanDerWaalsContact O-N 3.1Å; A949-V951 VanDerWaalsContact C-N 3.34Å; V951-K953 PolarHBondContact O-N 3.48Å; V951-A954 PolarHBondContact O-N 3.27Å; V951-K955 HydrophobicContact CG1-CD 4.26Å; V951-K955 HydrophobicContact CG1-CG 4.38Å; V951-K955 WeakPolarHBondContact O-CG 3.29Å; V951-K955 PolarHBondContact O-N 3.49Å |
| 952 | E | 94 | Very high | 93 | Very high | 100 Ų | 100 | 70.6 Ų | 70.6 | 47% | 0.467 | 40% | 0.403 | S | S | . | . | H | α-helix | trans | -61.2 | -44.1 | 176.6 | -72.5 | -59.1 | 121.1 | 0 | 0 | 111.4 | T948 A949 A954 K955 A956 | T948-E952 PolarHBondContact O-N 2.89Å; A949-E952 PolarHBondContact O-N 2.89Å; E952-A954 VanDerWaalsContact C-N 3.3Å; E952-A954 PolarHBondContact O-N 3.32Å; E952-K955 PolarHBondContact O-N 2.93Å; E952-K955 IonicContact OE1-NZ 3.35Å; E952-K955 PolarHBondContact OE1-NZ 3.29Å; E952-A956 WeakPolarHBondContact O-CB 3.39Å; E952-A956 PolarHBondContact O-N 3.4Å |
| 953 | K | 93.5 | Very high | 92.9 | Very high | 129 Ų | 129 | 65 Ų | 65 | 56% | 0.561 | 38% | 0.384 | S | S | * | . | H | α-helix | trans | -61 | -38.7 | 174.6 | -147.9 | 177.9 | -170.5 | -177.6 | 0 | 112.4 | V929 A949 V951 A957 | V929-K953 HydrophobicContact CG2-CD 4.45Å; A949-K953 WeakPolarHBondContact O-CB 3.33Å; A949-K953 PolarHBondContact O-N 3.31Å; V951-K953 PolarHBondContact O-N 3.48Å; K953-A957 PolarHBondContact O-N 2.89Å |
| 954 | A | 94 | Very high | 92.8 | Very high | 0 Ų | 0 | 64.6 Ų | 64.6 | 0% | 0 | 38% | 0.384 | C | S | . | . | H | α-helix | trans | -71.1 | -35.4 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.9 | F920 G923 L924 L950 V951 E952 L958 | F920-A954 HydrophobicContact CD2-CB 3.76Å; F920-A954 HydrophobicContact CE2-CB 4.04Å; G923-A954 WeakPolarHBondContact CA-O 3.38Å; L924-A954 HydrophobicContact CD2-CB 4.44Å; L924-A954 HydrophobicContact CG-CB 4.29Å; L950-A954 VanDerWaalsContact O-CB 3.32Å; L950-A954 WeakPolarHBondContact O-CB 3.44Å; L950-A954 PolarHBondContact O-N 3.3Å; V951-A954 PolarHBondContact O-N 3.27Å; E952-A954 VanDerWaalsContact C-N 3.3Å; E952-A954 PolarHBondContact O-N 3.32Å; A954-L958 WeakPolarHBondContact O-CD1 3.33Å; A954-L958 WeakPolarHBondContact O-CG 3.37Å; A954-L958 PolarHBondContact O-N 3.24Å |
| 955 | K | 93.5 | Very high | 92.9 | Very high | 75 Ų | 75 | 58.1 Ų | 58.1 | 33% | 0.326 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -66.5 | -44.5 | 173 | -75.1 | 175.5 | -175.1 | 165.5 | 0 | 111.1 | N913 I915 V951 E952 A957 L958 A959 | N913-K955 WeakPolarHBondContact O-CE 3.49Å; N913-K955 PolarHBondContact O-NZ 3.31Å; I915-K955 HydrophobicContact CD1-CG 4.12Å; V951-K955 HydrophobicContact CG1-CD 4.26Å; V951-K955 HydrophobicContact CG1-CG 4.38Å; V951-K955 WeakPolarHBondContact O-CG 3.29Å; V951-K955 PolarHBondContact O-N 3.49Å; E952-K955 PolarHBondContact O-N 2.93Å; E952-K955 IonicContact OE1-NZ 3.35Å; E952-K955 PolarHBondContact OE1-NZ 3.29Å; K955-A957 VanDerWaalsContact C-N 3.25Å; K955-A957 PolarHBondContact O-N 3.12Å; K955-L958 PolarHBondContact O-N 3.02Å; K955-A959 PolarHBondContact O-N 2.68Å |
| 956 | A | 92 | Very high | 92.8 | Very high | 71 Ų | 71 | 53.8 Ų | 53.8 | 59% | 0.587 | 34% | 0.338 | S | S | * | . | H | α-helix | trans | -61.5 | -32 | 178.4 | 0 | 0 | 0 | 0 | 0 | 113 | E952 | E952-A956 WeakPolarHBondContact O-CB 3.39Å; E952-A956 PolarHBondContact O-N 3.4Å |
| 957 | A | 91.4 | Very high | 92.7 | Very high | 25 Ų | 25 | 55.4 Ų | 55.4 | 21% | 0.207 | 34% | 0.343 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -82.6 | -11.1 | 174.7 | 0 | 0 | 0 | 0 | 0 | 114.2 | K926 A927 K953 K955 | K926-A957 HydrophobicContact CB-CB 3.96Å; K926-A957 WeakPolarHBondContact CD-O 3.23Å; A927-A957 HydrophobicContact CB-CB 3.84Å; K953-A957 PolarHBondContact O-N 2.89Å; K955-A957 VanDerWaalsContact C-N 3.25Å; K955-A957 PolarHBondContact O-N 3.12Å |
| 958 | L | 88 | Confident | 92.4 | Very high | 52 Ų | 52 | 59.7 Ų | 59.7 | 27% | 0.272 | 37% | 0.37 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -96 | -32.3 | 176.7 | -80.1 | 164.4 | 0 | 0 | 0 | 113 | I915 K919 N922 A954 K955 | I915-L958 HydrophobicContact CD1-CD1 3.89Å; K919-L958 HydrophobicContact CB-CD1 4.19Å; K919-L958 WeakPolarHBondContact O-CD1 3.18Å; N922-L958 HydrophobicContact CB-CD2 4.44Å; A954-L958 WeakPolarHBondContact O-CD1 3.33Å; A954-L958 WeakPolarHBondContact O-CG 3.37Å; A954-L958 PolarHBondContact O-N 3.24Å; K955-L958 PolarHBondContact O-N 3.02Å |
| 959 | A | 83.8 | Confident | 92.2 | Very high | 134 Ų | 134 | 61.1 Ų | 61.1 | 100% | 1.107 | 38% | 0.379 | S | S | * | . | trans | -60.7 | 0 | 161.1 | 0 | 0 | 0 | 0 | 0 | 109.3 | K955 | K955-A959 PolarHBondContact O-N 2.68Š|
Retrieved 959 of 959 residues in 233.3 ms
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