| 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 | 94.5 | Very high | 96.1 | Very high | 82 Ų | 82 | 93.9 Ų | 93.9 | 40% | 0.404 | 44% | 0.437 | S | S | . | . | 0 | 134.1 | 0 | -174.4 | 178.2 | -164.3 | 0 | 0 | 108.5 | L3 F16 L22 K24 L25 Y26 | M1-L3 HydrophobicContact CE-CD1 4Å; M1-L3 HydrophobicContact CE-CD2 4.17Å; M1-L3 HydrophobicContact CE-CG 4.2Å; M1-L3 HydrophobicContact CG-CG 4.41Å; M1-L3 HydrophobicContact SD-CD1 4.35Å; M1-F16 HydrophobicContact CE-CE1 4.48Å; M1-F16 HydrophobicContact SD-CD1 4.17Å; M1-F16 HydrophobicContact SD-CE1 4.08Å; M1-L22 HydrophobicContact CB-CD1 3.56Å; M1-L22 HydrophobicContact CB-CD2 4.09Å; M1-L22 HydrophobicContact CB-CG 4.5Å; M1-L22 VanDerWaalsContact N-CD1 3.33Å; M1-K24 PolarHBondContact N-O 3.03Å; M1-L25 HydrophobicContact CB-CD1 4.25Å; M1-L25 HydrophobicContact CG-CD1 4.41Å; M1-L25 HydrophobicContact SD-CD1 4.38Å; M1-Y26 WeakPolarHBondContact O-CD2 3.36Å; M1-Y26 PolarHBondContact O-N 3.16Å; M1-Y26 VanDerWaalsContact O-N 3.16Å | |||
| 2 | S | 95.3 | Very high | 96.1 | Very high | 67 Ų | 67 | 92.3 Ų | 92.3 | 47% | 0.469 | 44% | 0.441 | S | S | . | . | B | Isolated β-bridge | trans | -122.1 | 123.6 | 178.8 | -162.3 | 0 | 0 | 0 | 0 | 110.6 | Q4 | S2-Q4 WeakPolarHBondContact OG-CG 3.25Å |
| 3 | L | 96.2 | Very high | 96.2 | Very high | 42 Ų | 42 | 90.3 Ų | 90.3 | 22% | 0.22 | 44% | 0.44 | C | S | . | . | trans | -127.9 | 17.7 | 179.2 | -68.4 | 177.1 | 0 | 0 | 0 | 111 | M1 N6 I8 F16 Y26 L27 N30 | M1-L3 HydrophobicContact CE-CD1 4Å; M1-L3 HydrophobicContact CE-CD2 4.17Å; M1-L3 HydrophobicContact CE-CG 4.2Å; M1-L3 HydrophobicContact CG-CG 4.41Å; M1-L3 HydrophobicContact SD-CD1 4.35Å; L3-N6 PolarHBondContact O-ND2 3.42Å; L3-I8 HydrophobicContact CB-CD1 4.04Å; L3-I8 HydrophobicContact CD1-CD1 4.4Å; L3-F16 HydrophobicContact CD1-CE1 3.76Å; L3-F16 HydrophobicContact CD1-CZ 3.97Å; L3-Y26 CarbonylContact C-O 3.05Å; L3-Y26 WeakPolarHBondContact CA-O 3.36Å; L3-Y26 PolarHBondContact N-O 3.19Å; L3-L27 HydrophobicContact CB-CD2 3.8Å; L3-L27 HydrophobicContact CD1-CD2 3.96Å; L3-N30 PolarHBondContact O-ND2 3.08Å | ||
| 4 | Q | 95.2 | Very high | 96.2 | Very high | 74 Ų | 74 | 87.8 Ų | 87.8 | 35% | 0.346 | 43% | 0.43 | S | S | . | . | trans | -62.9 | 161.6 | 177.2 | 64.5 | 176.1 | 14.5 | 0 | 0 | 112.6 | S2 N6 Y26 Q28 | S2-Q4 WeakPolarHBondContact OG-CG 3.25Å; Q4-N6 PolarHBondContact O-N 3.01Å; Q4-N6 PolarHBondContact O-ND2 2.98Å; Q4-Y26 PolarHBondContact N-O 3.07Å; Q4-Q28 CarbonylContact C-O 3.1Å; Q4-Q28 WeakPolarHBondContact CA-O 3.47Å; Q4-Q28 HydrophobicContact CB-CG 3.96Å; Q4-Q28 WeakPolarHBondContact CB-O 3.5Å | ||
| 5 | W | 95.8 | Very high | 96.2 | Very high | 183 Ų | 183 | 85.1 Ų | 85.1 | 69% | 0.693 | 42% | 0.423 | S | S | * | . | S | Bend | trans | 57.1 | 33.9 | 174.2 | -63.2 | 107.6 | 0 | 0 | 0 | 114.4 | Q28 N29 | W5-Q28 PolarHBondContact N-O 2.95Å; W5-Q28 VanDerWaalsContact N-O 3.08Å; W5-N29 WeakPolarHBondContact CA-O 3.36Å; W5-N29 HydrophobicContact CD2-CB 3.52Å; W5-N29 HydrophobicContact CE3-CB 3.56Å; W5-N29 HydrophobicContact CG-CB 4.07Å; W5-N29 HydrophobicContact CH2-CB 4.14Å; W5-N29 HydrophobicContact CZ2-CB 4.13Å; W5-N29 VanDerWaalsContact CZ2-ND2 3.28Å; W5-N29 WeakPolarHBondContact CZ2-ND2 2.96Å; W5-N29 HydrophobicContact CZ3-CB 3.87Å; W5-N29 PolarHBondContact N-O 3.26Å |
| 6 | N | 95.8 | Very high | 96.1 | Very high | 84 Ų | 84 | 80.4 Ų | 80.4 | 45% | 0.449 | 40% | 0.399 | S | S | . | . | S | Bend | trans | -111.9 | -176.8 | 178.5 | -84.2 | -87 | 0 | 0 | 0 | 111 | L3 Q4 I8 N29 N30 | L3-N6 PolarHBondContact O-ND2 3.42Å; Q4-N6 PolarHBondContact O-N 3.01Å; Q4-N6 PolarHBondContact O-ND2 2.98Å; N6-I8 HydrophobicContact CB-CD1 4.27Å; N6-I8 HydrophobicContact CB-CG1 4.06Å; N6-N29 PolarHBondContact N-O 3.03Å; N6-N30 WeakPolarHBondContact CA-OD1 3.4Å; N6-N30 WeakPolarHBondContact CB-OD1 3.22Å; N6-N30 PolarHBondContact O-OD1 2.94Å; N6-N30 VanDerWaalsContact O-OD1 3.06Å |
| 7 | L | 95.9 | Very high | 95.9 | Very high | 126 Ų | 126 | 81.2 Ų | 81.2 | 66% | 0.66 | 40% | 0.4 | S | S | * | . | trans | -104.9 | 23.5 | 179.1 | -62.1 | 179.1 | 0 | 0 | 0 | 113 | R9 K31 | L7-R9 PolarHBondContact O-N 3.36Å; L7-K31 HydrophobicContact CD2-CD 4.08Å | ||
| 8 | I | 97.4 | Very high | 95.8 | Very high | 42 Ų | 42 | 84.4 Ų | 84.4 | 22% | 0.215 | 42% | 0.419 | C | S | . | . | trans | -62 | 124.6 | -176 | -56.1 | 170 | 0 | 0 | 0 | 109.1 | L3 N6 L11 L27 N30 K31 I32 | L3-I8 HydrophobicContact CB-CD1 4.04Å; L3-I8 HydrophobicContact CD1-CD1 4.4Å; N6-I8 HydrophobicContact CB-CD1 4.27Å; N6-I8 HydrophobicContact CB-CG1 4.06Å; I8-L11 HydrophobicContact CG2-CD2 4.05Å; I8-L27 HydrophobicContact CD1-CD2 4.14Å; I8-N30 HydrophobicContact CB-CB 4.43Å; I8-N30 VanDerWaalsContact CB-OD1 3.26Å; I8-N30 WeakPolarHBondContact CB-OD1 3.43Å; I8-N30 VanDerWaalsContact CG1-OD1 3.3Å; I8-N30 WeakPolarHBondContact CG1-OD1 3.46Å; I8-N30 PolarHBondContact N-OD1 3.49Å; I8-K31 CarbonylContact O-C 3.32Å; I8-K31 WeakPolarHBondContact O-CA 3.38Å; I8-K31 PolarHBondContact O-N 3.06Å; I8-I32 HydrophobicContact CB-CG1 4.25Å; I8-I32 HydrophobicContact CG2-CD1 4.41Å; I8-I32 HydrophobicContact CG2-CG1 4.01Å; I8-I32 WeakPolarHBondContact O-CG1 3.45Å; I8-I32 PolarHBondContact O-N 3.4Å | ||
| 9 | R | 96.8 | Very high | 95.7 | Very high | 178 Ų | 178 | 86.3 Ų | 86.3 | 67% | 0.672 | 42% | 0.421 | S | S | * | . | trans | -103 | -26.6 | -179.6 | -61.5 | -170.8 | -172.9 | -165.4 | 3.9 | 114.4 | L7 K31 I32 T33 | L7-R9 PolarHBondContact O-N 3.36Å; R9-K31 WeakPolarHBondContact CA-O 3.48Å; R9-K31 HydrophobicContact CG-CB 4.3Å; R9-I32 WeakPolarHBondContact O-CA 3.43Å; R9-T33 PolarHBondContact O-N 3.17Å; R9-T33 PolarHBondContact O-OG1 2.91Å | ||
| 10 | K | 96.9 | Very high | 95.6 | Very high | 146 Ų | 146 | 86.6 Ų | 86.6 | 64% | 0.635 | 42% | 0.422 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -145.2 | 145.7 | -176.1 | -61.6 | -177 | -179.4 | 177.7 | 0 | 109.8 | S34 | K10-S34 VanDerWaalsContact CA-O 3.32Å; K10-S34 WeakPolarHBondContact CA-O 3.44Å |
| 11 | L | 97.3 | Very high | 95.6 | Very high | 9 Ų | 9 | 89.1 Ų | 89.1 | 5% | 0.047 | 44% | 0.437 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.4 | 107.6 | 166.5 | -61 | 179.3 | 0 | 0 | 0 | 109 | I8 F16 L27 I32 S34 I35 S36 A39 F40 | I8-L11 HydrophobicContact CG2-CD2 4.05Å; L11-F16 HydrophobicContact CD2-CE2 4.37Å; L11-F16 HydrophobicContact CD2-CZ 4.37Å; L11-L27 HydrophobicContact CD1-CD1 3.91Å; L11-L27 HydrophobicContact CD2-CD2 4.23Å; L11-I32 HydrophobicContact CD1-CD1 4.36Å; L11-I32 HydrophobicContact CD2-CD1 4.34Å; L11-I32 HydrophobicContact CG-CD1 4.3Å; L11-I32 HydrophobicContact CG-CG2 4.43Å; L11-S34 PolarHBondContact N-O 3.21Å; L11-I35 HydrophobicContact CB-CG1 4.5Å; L11-I35 HydrophobicContact CB-CG2 4.31Å; L11-I35 HydrophobicContact CD1-CD1 4.06Å; L11-I35 HydrophobicContact CD1-CG1 3.99Å; L11-I35 HydrophobicContact CD1-CG2 4.19Å; L11-I35 HydrophobicContact CG-CG1 4.38Å; L11-S36 VanDerWaalsContact O-CB 3.3Å; L11-S36 WeakPolarHBondContact O-CB 3.27Å; L11-S36 PolarHBondContact O-N 3Å; L11-A39 HydrophobicContact CB-CB 3.88Å; L11-F40 HydrophobicContact CD1-CE1 3.97Å; L11-F40 HydrophobicContact CD1-CZ 3.73Å |
| 12 | P | 96.6 | Very high | 95.8 | Very high | 74 Ų | 74 | 86.3 Ų | 86.3 | 48% | 0.481 | 42% | 0.424 | S | S | . | . | trans | -70.5 | 164.6 | 178.3 | 24.9 | -25.7 | 0 | 0 | 0 | 111.9 | C15 A39 | P12-C15 HydrophobicContact CG-CB 3.99Å; P12-C15 PolarHBondContact O-SG 3.07Å; P12-A39 WeakPolarHBondContact O-CA 3.21Å | ||
| 13 | P | 97.1 | Very high | 95.9 | Very high | 67 Ų | 67 | 88.8 Ų | 88.8 | 44% | 0.435 | 43% | 0.428 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -58.5 | 149 | 174.3 | 27.2 | -35.9 | 0 | 0 | 0 | 111.7 | C15 Y38 | P13-C15 PolarHBondContact O-N 2.96Å; P13-Y38 HydrophobicContact CB-CD2 4.42Å |
| 14 | D | 95.9 | Very high | 96 | Very high | 55 Ų | 55 | 91 Ų | 91 | 29% | 0.294 | 44% | 0.436 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 57.2 | 11.7 | 171.5 | -58.9 | -81.6 | 0 | 0 | 0 | 115.6 | F16 K17 Y38 R41 | D14-F16 PolarHBondContact O-N 3.34Å; D14-F16 VanDerWaalsContact O-N 3.1Å; D14-K17 HydrophobicContact CB-CB 4.07Å; D14-K17 HydrophobicContact CB-CD 4.08Å; D14-K17 WeakPolarHBondContact O-CB 3.23Å; D14-K17 PolarHBondContact O-N 3.25Å; D14-Y38 PolarHBondContact N-O 3.21Å; D14-R41 VanDerWaalsContact OD1-CD 3.29Å; D14-R41 WeakPolarHBondContact OD1-CD 3.36Å |
| 15 | C | 95.6 | Very high | 96.1 | Very high | 48 Ų | 48 | 87.5 Ų | 87.5 | 32% | 0.324 | 42% | 0.42 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -65.2 | -18.5 | -173.4 | 62.7 | 0 | 0 | 0 | 0 | 114.9 | P12 P13 | P12-C15 HydrophobicContact CG-CB 3.99Å; P12-C15 PolarHBondContact O-SG 3.07Å; P13-C15 PolarHBondContact O-N 2.96Å |
| 16 | F | 95.9 | Very high | 96.3 | Very high | 10 Ų | 10 | 81.9 Ų | 81.9 | 4% | 0.044 | 40% | 0.399 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -112.3 | 9 | 173.4 | -55.8 | -63.2 | 0 | 0 | 0 | 114 | M1 L3 L11 D14 N18 Y19 L25 L27 A39 F40 L43 | M1-F16 HydrophobicContact CE-CE1 4.48Å; M1-F16 HydrophobicContact SD-CD1 4.17Å; M1-F16 HydrophobicContact SD-CE1 4.08Å; L3-F16 HydrophobicContact CD1-CE1 3.76Å; L3-F16 HydrophobicContact CD1-CZ 3.97Å; L11-F16 HydrophobicContact CD2-CE2 4.37Å; L11-F16 HydrophobicContact CD2-CZ 4.37Å; D14-F16 PolarHBondContact O-N 3.34Å; D14-F16 VanDerWaalsContact O-N 3.1Å; F16-N18 VanDerWaalsContact C-N 3.26Å; F16-N18 PolarHBondContact O-N 2.92Å; F16-N18 VanDerWaalsContact O-N 3.08Å; F16-Y19 HydrophobicContact CB-CD2 4.33Å; F16-Y19 HydrophobicContact CD1-CD2 4.49Å; F16-Y19 WeakPolarHBondContact O-CD2 3.16Å; F16-Y19 PolarHBondContact O-N 2.89Å; F16-L25 HydrophobicContact CD2-CD2 4.04Å; F16-L25 HydrophobicContact CE1-CD1 4.27Å; F16-L25 HydrophobicContact CE1-CD2 4.46Å; F16-L25 HydrophobicContact CE2-CD2 3.82Å; F16-L25 HydrophobicContact CG-CD2 4.46Å; F16-L25 HydrophobicContact CZ-CD1 4.29Å; F16-L25 HydrophobicContact CZ-CD2 4.05Å; F16-L27 HydrophobicContact CE2-CD1 4.49Å; F16-L27 HydrophobicContact CZ-CD1 4.45Å; F16-A39 WeakPolarHBondContact CD2-O 3.47Å; F16-F40 HydrophobicContact CD2-CD1 4.04Å; F16-F40 HydrophobicContact CD2-CE1 4.38Å; F16-F40 HydrophobicContact CE2-CD1 4.22Å; F16-F40 HydrophobicContact CE2-CE1 4.09Å; F16-L43 HydrophobicContact CB-CD1 3.8Å; F16-L43 HydrophobicContact CB-CD2 3.9Å; F16-L43 HydrophobicContact CB-CG 4.01Å; F16-L43 HydrophobicContact CD2-CD1 4.26Å; F16-L43 HydrophobicContact CG-CD1 4.26Å |
| 17 | K | 92.9 | Very high | 96.4 | Very high | 94 Ų | 94 | 77.9 Ų | 77.9 | 41% | 0.409 | 38% | 0.377 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -54.4 | -36.1 | -167.2 | -177.1 | 179.2 | -176.4 | 174.1 | 0 | 114.8 | D14 Y19 H20 R41 | D14-K17 HydrophobicContact CB-CB 4.07Å; D14-K17 HydrophobicContact CB-CD 4.08Å; D14-K17 WeakPolarHBondContact O-CB 3.23Å; D14-K17 PolarHBondContact O-N 3.25Å; K17-Y19 VanDerWaalsContact C-N 3.29Å; K17-Y19 PolarHBondContact O-N 3.45Å; K17-H20 PolarHBondContact O-CE1 3.37Å; K17-H20 PolarHBondContact O-ND1 3.43Å; K17-H20 PolarHBondContact O-NE2 2.93Å; K17-R41 WeakPolarHBondContact CA-O 3.37Å |
| 18 | N | 92.9 | Very high | 96.4 | Very high | 139 Ų | 139 | 73 Ų | 73 | 74% | 0.743 | 35% | 0.351 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81 | -3.8 | -175.6 | -61.4 | -6.3 | 0 | 0 | 0 | 113.7 | F16 H20 | F16-N18 VanDerWaalsContact C-N 3.26Å; F16-N18 PolarHBondContact O-N 2.92Å; F16-N18 VanDerWaalsContact O-N 3.08Å; N18-H20 PolarHBondContact O-N 3.2Å |
| 19 | Y | 94.7 | Very high | 96.5 | Very high | 119 Ų | 119 | 72.9 Ų | 72.9 | 47% | 0.467 | 35% | 0.351 | S | S | . | . | trans | -100.8 | 52.7 | -174.3 | -57.9 | -77.6 | 0 | 0 | 0 | 112.5 | F16 K17 D21 L22 L43 | F16-Y19 HydrophobicContact CB-CD2 4.33Å; F16-Y19 HydrophobicContact CD1-CD2 4.49Å; F16-Y19 WeakPolarHBondContact O-CD2 3.16Å; F16-Y19 PolarHBondContact O-N 2.89Å; K17-Y19 VanDerWaalsContact C-N 3.29Å; K17-Y19 PolarHBondContact O-N 3.45Å; Y19-D21 PolarHBondContact O-N 3.41Å; Y19-D21 VanDerWaalsContact O-N 3.15Å; Y19-L22 WeakPolarHBondContact O-CB 3.27Å; Y19-L22 PolarHBondContact O-N 3.35Å; Y19-L43 VanDerWaalsContact O-CD2 3.31Å; Y19-L43 WeakPolarHBondContact O-CD2 3.13Å | ||
| 20 | H | 93.4 | Very high | 96.5 | Very high | 92 Ų | 92 | 65 Ų | 65 | 43% | 0.426 | 32% | 0.322 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -56.4 | -31.4 | -174 | -59.9 | -54.1 | 0 | 0 | 0 | 115 | K17 N18 L22 G42 S45 | K17-H20 PolarHBondContact O-CE1 3.37Å; K17-H20 PolarHBondContact O-ND1 3.43Å; K17-H20 PolarHBondContact O-NE2 2.93Å; N18-H20 PolarHBondContact O-N 3.2Å; H20-L22 VanDerWaalsContact C-N 3.35Å; H20-G42 PolarHBondContact ND1-O 2.83Å; H20-S45 WeakPolarHBondContact O-CB 3.39Å; H20-S45 PolarHBondContact O-N 2.84Å; H20-S45 PolarHBondContact O-OG 2.95Å |
| 21 | D | 95.9 | Very high | 96.5 | Very high | 140 Ų | 140 | 62.1 Ų | 62.1 | 75% | 0.749 | 31% | 0.309 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -88.8 | 2.5 | -179.8 | -56.4 | -51 | 0 | 0 | 0 | 113.7 | Y19 Q23 | Y19-D21 PolarHBondContact O-N 3.41Å; Y19-D21 VanDerWaalsContact O-N 3.15Å; D21-Q23 PolarHBondContact O-N 2.9Å; D21-Q23 VanDerWaalsContact O-N 3.09Å |
| 22 | L | 97.3 | Very high | 96.5 | Very high | 24 Ų | 24 | 61.7 Ų | 61.7 | 13% | 0.126 | 31% | 0.307 | C | S | . | . | trans | -67.7 | 109.8 | -176.7 | 178.6 | 63.4 | 0 | 0 | 0 | 111.6 | M1 Y19 H20 K24 L25 L43 S45 L46 | M1-L22 HydrophobicContact CB-CD1 3.56Å; M1-L22 HydrophobicContact CB-CD2 4.09Å; M1-L22 HydrophobicContact CB-CG 4.5Å; M1-L22 VanDerWaalsContact N-CD1 3.33Å; Y19-L22 WeakPolarHBondContact O-CB 3.27Å; Y19-L22 PolarHBondContact O-N 3.35Å; H20-L22 VanDerWaalsContact C-N 3.35Å; L22-K24 WeakPolarHBondContact CD1-O 3.26Å; L22-L25 HydrophobicContact CD2-CB 4.29Å; L22-L25 HydrophobicContact CD2-CD1 4.45Å; L22-L43 HydrophobicContact CB-CD2 4.12Å; L22-L43 HydrophobicContact CD2-CD2 3.99Å; L22-S45 CarbonylContact O-C 3.1Å; L22-L46 HydrophobicContact CD2-CD1 4.38Å; L22-L46 HydrophobicContact CG-CD1 4.05Å; L22-L46 WeakPolarHBondContact O-CA 3.47Å; L22-L46 VanDerWaalsContact O-CD1 3.31Å; L22-L46 WeakPolarHBondContact O-CD1 3.43Å; L22-L46 PolarHBondContact O-N 2.93Å | ||
| 23 | Q | 97.9 | Very high | 96.5 | Very high | 118 Ų | 118 | 61.2 Ų | 61.2 | 55% | 0.551 | 30% | 0.303 | S | S | * | . | trans | -84.2 | -31.2 | -180 | -63.8 | 179.6 | 1 | 0 | 0 | 114.8 | D21 S45 T47 K48 | D21-Q23 PolarHBondContact O-N 2.9Å; D21-Q23 VanDerWaalsContact O-N 3.09Å; Q23-S45 WeakPolarHBondContact CA-O 3.4Å; Q23-T47 PolarHBondContact O-N 3.23Å; Q23-T47 PolarHBondContact O-OG1 2.9Å; Q23-T47 VanDerWaalsContact O-OG1 3.05Å; Q23-K48 PolarHBondContact O-N 3.17Å; Q23-K48 VanDerWaalsContact O-N 3.13Å | ||
| 24 | K | 98.4 | Very high | 96.5 | Very high | 90 Ų | 90 | 60.8 Ų | 60.8 | 39% | 0.391 | 30% | 0.301 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.8 | 125.8 | -173.4 | -57.8 | 178 | -172.1 | 169 | 0 | 111.2 | M1 L22 Y26 K48 | M1-K24 PolarHBondContact N-O 3.03Å; L22-K24 WeakPolarHBondContact CD1-O 3.26Å; K24-Y26 HydrophobicContact CB-CE2 3.98Å; K24-K48 WeakPolarHBondContact CA-O 3.29Å; K24-K48 HydrophobicContact CG-CB 4.31Å |
| 25 | L | 98.3 | Very high | 96.5 | Very high | 0 Ų | 0 | 58.5 Ų | 58.5 | 0% | 0 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.2 | 118.5 | 178.8 | 179.9 | 55.6 | 0 | 0 | 0 | 110.5 | M1 F16 L22 L27 F40 L43 L46 K48 L49 Y50 | M1-L25 HydrophobicContact CB-CD1 4.25Å; M1-L25 HydrophobicContact CG-CD1 4.41Å; M1-L25 HydrophobicContact SD-CD1 4.38Å; F16-L25 HydrophobicContact CD2-CD2 4.04Å; F16-L25 HydrophobicContact CE1-CD1 4.27Å; F16-L25 HydrophobicContact CE1-CD2 4.46Å; F16-L25 HydrophobicContact CE2-CD2 3.82Å; F16-L25 HydrophobicContact CG-CD2 4.46Å; F16-L25 HydrophobicContact CZ-CD1 4.29Å; F16-L25 HydrophobicContact CZ-CD2 4.05Å; L22-L25 HydrophobicContact CD2-CB 4.29Å; L22-L25 HydrophobicContact CD2-CD1 4.45Å; L25-L27 HydrophobicContact CD1-CD1 4.33Å; L25-L27 HydrophobicContact CD1-CG 4.23Å; L25-L27 HydrophobicContact CD2-CD1 3.89Å; L25-L27 HydrophobicContact CG-CD1 3.9Å; L25-L27 HydrophobicContact CG-CG 4.18Å; L25-F40 HydrophobicContact CD2-CD1 4.14Å; L25-F40 HydrophobicContact CD2-CE1 3.96Å; L25-L43 HydrophobicContact CD2-CD1 4.18Å; L25-L46 HydrophobicContact CB-CD1 3.76Å; L25-L46 HydrophobicContact CB-CD2 4.48Å; L25-K48 PolarHBondContact N-O 3.37Å; L25-L49 HydrophobicContact CB-CD1 4.04Å; L25-L49 HydrophobicContact CD2-CD1 3.96Å; L25-L49 HydrophobicContact CG-CD1 3.98Å; L25-Y50 PolarHBondContact O-N 2.96Å |
| 26 | Y | 98.4 | Very high | 96.6 | Very high | 65 Ų | 65 | 57.3 Ų | 57.3 | 26% | 0.255 | 28% | 0.282 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.2 | 116.9 | 179.4 | -58.6 | -80.5 | 0 | 0 | 0 | 110.3 | M1 L3 Q4 K24 Y50 | M1-Y26 WeakPolarHBondContact O-CD2 3.36Å; M1-Y26 PolarHBondContact O-N 3.16Å; M1-Y26 VanDerWaalsContact O-N 3.16Å; L3-Y26 CarbonylContact C-O 3.05Å; L3-Y26 WeakPolarHBondContact CA-O 3.36Å; L3-Y26 PolarHBondContact N-O 3.19Å; Q4-Y26 PolarHBondContact N-O 3.07Å; K24-Y26 HydrophobicContact CB-CE2 3.98Å; Y26-Y50 AromaticContact CD1-CD2 3.37Å; Y26-Y50 HydrophobicContact CD1-CD2 3.37Å; Y26-Y50 AromaticContact CD1-CE2 3.79Å; Y26-Y50 HydrophobicContact CD1-CE2 3.79Å; Y26-Y50 AromaticContact CD1-CG 3.8Å; Y26-Y50 HydrophobicContact CD1-CG 3.8Å; Y26-Y50 AromaticContact CE1-CD2 3.42Å; Y26-Y50 HydrophobicContact CE1-CD2 3.42Å; Y26-Y50 VanDerWaalsContact CE1-CD2 3.42Å; Y26-Y50 HydrophobicContact CE1-CE1 4.48Å; Y26-Y50 AromaticContact CE1-CE2 3.28Å; Y26-Y50 HydrophobicContact CE1-CE2 3.28Å; Y26-Y50 HydrophobicContact CE1-CG 4.11Å; Y26-Y50 AromaticContact CE1-CZ 3.87Å; Y26-Y50 HydrophobicContact CG-CD2 4.34Å |
| 27 | L | 97.9 | Very high | 96.6 | Very high | 0 Ų | 0 | 59.3 Ų | 59.3 | 0% | 0 | 29% | 0.292 | C | S | . | . | trans | -126 | 9.1 | -179.3 | -75.7 | 160.3 | 0 | 0 | 0 | 112.4 | L3 I8 L11 F16 L25 N30 I32 F40 L49 Y50 L51 N54 | L3-L27 HydrophobicContact CB-CD2 3.8Å; L3-L27 HydrophobicContact CD1-CD2 3.96Å; I8-L27 HydrophobicContact CD1-CD2 4.14Å; L11-L27 HydrophobicContact CD1-CD1 3.91Å; L11-L27 HydrophobicContact CD2-CD2 4.23Å; F16-L27 HydrophobicContact CE2-CD1 4.49Å; F16-L27 HydrophobicContact CZ-CD1 4.45Å; L25-L27 HydrophobicContact CD1-CD1 4.33Å; L25-L27 HydrophobicContact CD1-CG 4.23Å; L25-L27 HydrophobicContact CD2-CD1 3.89Å; L25-L27 HydrophobicContact CG-CD1 3.9Å; L25-L27 HydrophobicContact CG-CG 4.18Å; L27-N30 PolarHBondContact O-ND2 3.35Å; L27-I32 HydrophobicContact CB-CD1 4.18Å; L27-I32 HydrophobicContact CD2-CD1 4.22Å; L27-F40 HydrophobicContact CD1-CE1 4.12Å; L27-L49 HydrophobicContact CD1-CD1 4.33Å; L27-Y50 WeakPolarHBondContact CA-O 3.16Å; L27-Y50 WeakPolarHBondContact CB-O 3.38Å; L27-Y50 PolarHBondContact N-O 3.35Å; L27-L51 HydrophobicContact CB-CD2 3.89Å; L27-L51 HydrophobicContact CD1-CD2 3.84Å; L27-N54 PolarHBondContact O-ND2 2.91Å | ||
| 28 | Q | 97.5 | Very high | 96.8 | Very high | 24 Ų | 24 | 60 Ų | 60 | 11% | 0.112 | 29% | 0.293 | C | S | . | . | trans | -63.8 | 157.9 | -178 | 62 | -84.7 | 10.7 | 0 | 0 | 114 | Q4 W5 N30 S52 | Q4-Q28 CarbonylContact C-O 3.1Å; Q4-Q28 WeakPolarHBondContact CA-O 3.47Å; Q4-Q28 HydrophobicContact CB-CG 3.96Å; Q4-Q28 WeakPolarHBondContact CB-O 3.5Å; W5-Q28 PolarHBondContact N-O 2.95Å; W5-Q28 VanDerWaalsContact N-O 3.08Å; Q28-N30 PolarHBondContact O-ND2 3.45Å; Q28-S52 CarbonylContact C-O 3.4Å; Q28-S52 WeakPolarHBondContact CA-O 3.37Å; Q28-S52 VanDerWaalsContact CB-O 3.29Å; Q28-S52 WeakPolarHBondContact CB-O 3.28Å | ||
| 29 | N | 97.8 | Very high | 97 | Very high | 38 Ų | 38 | 53.4 Ų | 53.4 | 20% | 0.203 | 26% | 0.258 | C | S | . | . | S | Bend | trans | 55.9 | 54.9 | -179.3 | -61.9 | -63.4 | 0 | 0 | 0 | 112.4 | W5 N6 S52 H53 | W5-N29 WeakPolarHBondContact CA-O 3.36Å; W5-N29 HydrophobicContact CD2-CB 3.52Å; W5-N29 HydrophobicContact CE3-CB 3.56Å; W5-N29 HydrophobicContact CG-CB 4.07Å; W5-N29 HydrophobicContact CH2-CB 4.14Å; W5-N29 HydrophobicContact CZ2-CB 4.13Å; W5-N29 VanDerWaalsContact CZ2-ND2 3.28Å; W5-N29 WeakPolarHBondContact CZ2-ND2 2.96Å; W5-N29 HydrophobicContact CZ3-CB 3.87Å; W5-N29 PolarHBondContact N-O 3.26Å; N6-N29 PolarHBondContact N-O 3.03Å; N29-S52 PolarHBondContact N-O 3.41Å; N29-H53 WeakPolarHBondContact CA-O 3.46Å; N29-H53 PolarHBondContact N-O 2.9Å; N29-H53 VanDerWaalsContact OD1-CB 3.29Å; N29-H53 WeakPolarHBondContact OD1-CB 3.28Å; N29-H53 PolarHBondContact OD1-CD2 3.23Å; N29-H53 VanDerWaalsContact OD1-CD2 3.24Å |
| 30 | N | 97.7 | Very high | 97.1 | Very high | 12 Ų | 12 | 47.9 Ų | 47.9 | 6% | 0.064 | 24% | 0.236 | C | C | . | . | S | Bend | trans | -124.9 | -163.3 | 175.8 | -90.9 | -84.7 | 0 | 0 | 0 | 109.7 | L3 N6 I8 L27 Q28 I32 H53 N54 | L3-N30 PolarHBondContact O-ND2 3.08Å; N6-N30 WeakPolarHBondContact CA-OD1 3.4Å; N6-N30 WeakPolarHBondContact CB-OD1 3.22Å; N6-N30 PolarHBondContact O-OD1 2.94Å; N6-N30 VanDerWaalsContact O-OD1 3.06Å; I8-N30 HydrophobicContact CB-CB 4.43Å; I8-N30 VanDerWaalsContact CB-OD1 3.26Å; I8-N30 WeakPolarHBondContact CB-OD1 3.43Å; I8-N30 VanDerWaalsContact CG1-OD1 3.3Å; I8-N30 WeakPolarHBondContact CG1-OD1 3.46Å; I8-N30 PolarHBondContact N-OD1 3.49Å; L27-N30 PolarHBondContact O-ND2 3.35Å; Q28-N30 PolarHBondContact O-ND2 3.45Å; N30-I32 HydrophobicContact CB-CD1 4.21Å; N30-I32 HydrophobicContact CB-CG1 4.03Å; N30-H53 PolarHBondContact N-O 2.91Å; N30-N54 WeakPolarHBondContact CA-OD1 3.33Å; N30-N54 WeakPolarHBondContact CB-OD1 3.17Å |
| 31 | K | 97.3 | Very high | 97.2 | Very high | 86 Ų | 86 | 49.1 Ų | 49.1 | 37% | 0.374 | 24% | 0.237 | S | C | . | . | trans | -123 | 29.2 | 177.1 | -63.5 | -179 | -178.9 | 175.6 | 0 | 111.1 | L7 I8 R9 T33 N54 | L7-K31 HydrophobicContact CD2-CD 4.08Å; I8-K31 CarbonylContact O-C 3.32Å; I8-K31 WeakPolarHBondContact O-CA 3.38Å; I8-K31 PolarHBondContact O-N 3.06Å; R9-K31 WeakPolarHBondContact CA-O 3.48Å; R9-K31 HydrophobicContact CG-CB 4.3Å; K31-T33 PolarHBondContact O-N 3.27Å; K31-N54 PolarHBondContact N-OD1 3.25Å | ||
| 32 | I | 98.1 | Very high | 97.2 | Very high | 0 Ų | 0 | 42.9 Ų | 42.9 | 0% | 0 | 21% | 0.205 | C | C | . | . | trans | -66.4 | 116.8 | -172.5 | -59.2 | 168.1 | 0 | 0 | 0 | 109 | I8 R9 L11 L27 N30 I35 N54 R55 I56 | I8-I32 HydrophobicContact CB-CG1 4.25Å; I8-I32 HydrophobicContact CG2-CD1 4.41Å; I8-I32 HydrophobicContact CG2-CG1 4.01Å; I8-I32 WeakPolarHBondContact O-CG1 3.45Å; I8-I32 PolarHBondContact O-N 3.4Å; R9-I32 WeakPolarHBondContact O-CA 3.43Å; L11-I32 HydrophobicContact CD1-CD1 4.36Å; L11-I32 HydrophobicContact CD2-CD1 4.34Å; L11-I32 HydrophobicContact CG-CD1 4.3Å; L11-I32 HydrophobicContact CG-CG2 4.43Å; L27-I32 HydrophobicContact CB-CD1 4.18Å; L27-I32 HydrophobicContact CD2-CD1 4.22Å; N30-I32 HydrophobicContact CB-CD1 4.21Å; N30-I32 HydrophobicContact CB-CG1 4.03Å; I32-I35 HydrophobicContact CG2-CD1 4.27Å; I32-I35 HydrophobicContact CG2-CG1 3.78Å; I32-N54 HydrophobicContact CB-CB 4.32Å; I32-N54 VanDerWaalsContact CB-OD1 3.29Å; I32-N54 WeakPolarHBondContact CB-OD1 3.48Å; I32-N54 WeakPolarHBondContact CG1-OD1 3.5Å; I32-N54 PolarHBondContact N-OD1 3.49Å; I32-R55 CarbonylContact O-C 3.45Å; I32-R55 WeakPolarHBondContact O-CA 3.19Å; I32-R55 PolarHBondContact O-N 2.86Å; I32-I56 HydrophobicContact CB-CG1 4.43Å; I32-I56 HydrophobicContact CG2-CG1 4.13Å; I32-I56 WeakPolarHBondContact O-CG1 3.33Å; I32-I56 PolarHBondContact O-N 3.25Å; I32-I56 VanDerWaalsContact O-N 3.14Å | ||
| 33 | T | 96.4 | Very high | 97.1 | Very high | 64 Ų | 64 | 41.7 Ų | 41.7 | 39% | 0.393 | 20% | 0.199 | S | C | . | . | trans | -105.4 | -22.4 | 174.8 | 55.8 | 0 | 0 | 0 | 0 | 113 | R9 K31 R55 | R9-T33 PolarHBondContact O-N 3.17Å; R9-T33 PolarHBondContact O-OG1 2.91Å; K31-T33 PolarHBondContact O-N 3.27Å; T33-R55 WeakPolarHBondContact CA-O 3.26Å; T33-R55 HydrophobicContact CG2-CB 3.79Å | ||
| 34 | S | 95.4 | Very high | 97 | Very high | 58 Ų | 58 | 39.8 Ų | 39.8 | 41% | 0.406 | 19% | 0.193 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.5 | 133.4 | -174.6 | -168.7 | 0 | 0 | 0 | 0 | 111.7 | K10 L11 | K10-S34 VanDerWaalsContact CA-O 3.32Å; K10-S34 WeakPolarHBondContact CA-O 3.44Å; L11-S34 PolarHBondContact N-O 3.21Å |
| 35 | I | 97.4 | Very high | 96.9 | Very high | 7 Ų | 7 | 36.5 Ų | 36.5 | 4% | 0.036 | 18% | 0.181 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.8 | 126.8 | 177.1 | -59 | -176.4 | 0 | 0 | 0 | 107.5 | L11 I32 A39 F40 L51 I56 L59 V63 | L11-I35 HydrophobicContact CB-CG1 4.5Å; L11-I35 HydrophobicContact CB-CG2 4.31Å; L11-I35 HydrophobicContact CD1-CD1 4.06Å; L11-I35 HydrophobicContact CD1-CG1 3.99Å; L11-I35 HydrophobicContact CD1-CG2 4.19Å; L11-I35 HydrophobicContact CG-CG1 4.38Å; I32-I35 HydrophobicContact CG2-CD1 4.27Å; I32-I35 HydrophobicContact CG2-CG1 3.78Å; I35-A39 HydrophobicContact CG2-CB 3.69Å; I35-F40 HydrophobicContact CD1-CE2 4.46Å; I35-F40 HydrophobicContact CD1-CZ 4.39Å; I35-F40 HydrophobicContact CG2-CD2 4.48Å; I35-F40 HydrophobicContact CG2-CE2 3.77Å; I35-F40 HydrophobicContact CG2-CZ 4.22Å; I35-L51 HydrophobicContact CD1-CD1 4.23Å; I35-L51 HydrophobicContact CD1-CD2 4.12Å; I35-I56 HydrophobicContact CD1-CD1 3.79Å; I35-I56 HydrophobicContact CD1-CG1 4.33Å; I35-L59 HydrophobicContact CD1-CD2 4.04Å; I35-V63 HydrophobicContact CG2-CG2 3.74Å |
| 36 | S | 96.7 | Very high | 96.9 | Very high | 24 Ų | 24 | 36.5 Ų | 36.5 | 17% | 0.168 | 18% | 0.181 | C | C | . | . | trans | -65 | 146.1 | 172.6 | -171.8 | 0 | 0 | 0 | 0 | 110.6 | L11 Y38 A39 | L11-S36 VanDerWaalsContact O-CB 3.3Å; L11-S36 WeakPolarHBondContact O-CB 3.27Å; L11-S36 PolarHBondContact O-N 3Å; S36-Y38 PolarHBondContact O-N 3.17Å; S36-A39 WeakPolarHBondContact O-CB 3.18Å; S36-A39 PolarHBondContact O-N 3.05Å | ||
| 37 | I | 96.3 | Very high | 96.9 | Very high | 51 Ų | 51 | 34.8 Ų | 34.8 | 26% | 0.262 | 18% | 0.178 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -55.4 | -36.6 | 174.5 | 147.5 | 174.7 | 0 | 0 | 0 | 110.4 | K60 | I37-K60 HydrophobicContact CB-CB 4.48Å; I37-K60 HydrophobicContact CB-CD 4.15Å; I37-K60 HydrophobicContact CG2-CD 3.88Å |
| 38 | Y | 96.9 | Very high | 96.9 | Very high | 109 Ų | 109 | 36.5 Ų | 36.5 | 43% | 0.427 | 19% | 0.185 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -95.4 | 16.3 | 178.6 | -47.6 | -60.8 | 0 | 0 | 0 | 113.8 | P13 D14 S36 F40 R41 | P13-Y38 HydrophobicContact CB-CD2 4.42Å; D14-Y38 PolarHBondContact N-O 3.21Å; S36-Y38 PolarHBondContact O-N 3.17Å; Y38-F40 VanDerWaalsContact C-N 3.34Å; Y38-F40 PolarHBondContact O-N 3.47Å; Y38-R41 WeakPolarHBondContact O-CB 3.25Å; Y38-R41 PolarHBondContact O-N 3.46Å |
| 39 | A | 97.4 | Very high | 97 | Very high | 0 Ų | 0 | 35.4 Ų | 35.4 | 0% | 0 | 18% | 0.18 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -63.2 | -39.1 | -175.3 | 0 | 0 | 0 | 0 | 0 | 113 | L11 P12 F16 I35 S36 | L11-A39 HydrophobicContact CB-CB 3.88Å; P12-A39 WeakPolarHBondContact O-CA 3.21Å; F16-A39 WeakPolarHBondContact CD2-O 3.47Å; I35-A39 HydrophobicContact CG2-CB 3.69Å; S36-A39 WeakPolarHBondContact O-CB 3.18Å; S36-A39 PolarHBondContact O-N 3.05Å |
| 40 | F | 97.3 | Very high | 97 | Very high | 3 Ų | 3 | 35.6 Ų | 35.6 | 1% | 0.013 | 18% | 0.178 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -99.9 | 14.5 | -177.6 | -55.4 | -61.8 | 0 | 0 | 0 | 113.6 | L11 F16 L25 L27 I35 Y38 L43 L49 L51 V63 F64 L67 | L11-F40 HydrophobicContact CD1-CE1 3.97Å; L11-F40 HydrophobicContact CD1-CZ 3.73Å; F16-F40 HydrophobicContact CD2-CD1 4.04Å; F16-F40 HydrophobicContact CD2-CE1 4.38Å; F16-F40 HydrophobicContact CE2-CD1 4.22Å; F16-F40 HydrophobicContact CE2-CE1 4.09Å; L25-F40 HydrophobicContact CD2-CD1 4.14Å; L25-F40 HydrophobicContact CD2-CE1 3.96Å; L27-F40 HydrophobicContact CD1-CE1 4.12Å; I35-F40 HydrophobicContact CD1-CE2 4.46Å; I35-F40 HydrophobicContact CD1-CZ 4.39Å; I35-F40 HydrophobicContact CG2-CD2 4.48Å; I35-F40 HydrophobicContact CG2-CE2 3.77Å; I35-F40 HydrophobicContact CG2-CZ 4.22Å; Y38-F40 VanDerWaalsContact C-N 3.34Å; Y38-F40 PolarHBondContact O-N 3.47Å; F40-L43 HydrophobicContact CB-CD1 4.19Å; F40-L43 HydrophobicContact CD1-CD1 4.13Å; F40-L43 WeakPolarHBondContact O-CB 3.47Å; F40-L43 PolarHBondContact O-N 3.12Å; F40-L49 HydrophobicContact CD2-CD2 4.45Å; F40-L49 HydrophobicContact CE1-CD1 4.08Å; F40-L49 HydrophobicContact CE1-CD2 4.17Å; F40-L49 HydrophobicContact CE2-CD2 4.11Å; F40-L49 HydrophobicContact CZ-CD1 4.33Å; F40-L49 HydrophobicContact CZ-CD2 3.97Å; F40-L51 HydrophobicContact CZ-CD1 4.42Å; F40-L51 HydrophobicContact CZ-CD2 4.45Å; F40-V63 HydrophobicContact CD2-CG2 4.37Å; F40-V63 WeakPolarHBondContact CD2-O 3.41Å; F40-V63 HydrophobicContact CE2-CG2 4.47Å; F40-F64 AromaticContact CD2-CD1 3.92Å; F40-F64 HydrophobicContact CD2-CD1 3.92Å; F40-F64 AromaticContact CD2-CE1 3.98Å; F40-F64 HydrophobicContact CD2-CE1 3.98Å; F40-F64 HydrophobicContact CE2-CD1 4.18Å; F40-F64 AromaticContact CE2-CE1 3.75Å; F40-F64 HydrophobicContact CE2-CE1 3.75Å; F40-L67 HydrophobicContact CB-CD1 4.19Å; F40-L67 HydrophobicContact CB-CD2 4.14Å; F40-L67 HydrophobicContact CB-CG 4.38Å; F40-L67 HydrophobicContact CG-CD1 4.47Å |
| 41 | R | 95.8 | Very high | 97 | Very high | 119 Ų | 119 | 35 Ų | 35 | 45% | 0.449 | 18% | 0.175 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -59.5 | 136.9 | -177.5 | -161.5 | -173.5 | -172.5 | 176.4 | 2.8 | 111.3 | D14 K17 Y38 L43 D66 | D14-R41 VanDerWaalsContact OD1-CD 3.29Å; D14-R41 WeakPolarHBondContact OD1-CD 3.36Å; K17-R41 WeakPolarHBondContact CA-O 3.37Å; Y38-R41 WeakPolarHBondContact O-CB 3.25Å; Y38-R41 PolarHBondContact O-N 3.46Å; R41-L43 VanDerWaalsContact C-N 3.33Å; R41-D66 VanDerWaalsContact CA-OD2 3.27Å; R41-D66 WeakPolarHBondContact CA-OD2 3.31Å; R41-D66 WeakPolarHBondContact CG-OD2 3.13Å |
| 42 | G | 94.1 | Very high | 97.1 | Very high | 8 Ų | 8 | 31.2 Ų | 31.2 | 8% | 0.082 | 16% | 0.159 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 80.8 | -0.2 | 179.2 | 0 | 0 | 0 | 0 | 0 | 115.8 | H20 N44 D66 | H20-G42 PolarHBondContact ND1-O 2.83Å; G42-N44 PolarHBondContact O-N 2.89Å; G42-D66 PolarHBondContact N-OD2 2.96Å |
| 43 | L | 96.5 | Very high | 97 | Very high | 0 Ų | 0 | 34.7 Ų | 34.7 | 0% | 0 | 18% | 0.176 | C | C | . | . | trans | -81.4 | 49.8 | -179.5 | -68.3 | -174.5 | 0 | 0 | 0 | 113.3 | F16 Y19 L22 L25 F40 R41 S45 L46 L67 | F16-L43 HydrophobicContact CB-CD1 3.8Å; F16-L43 HydrophobicContact CB-CD2 3.9Å; F16-L43 HydrophobicContact CB-CG 4.01Å; F16-L43 HydrophobicContact CD2-CD1 4.26Å; F16-L43 HydrophobicContact CG-CD1 4.26Å; Y19-L43 VanDerWaalsContact O-CD2 3.31Å; Y19-L43 WeakPolarHBondContact O-CD2 3.13Å; L22-L43 HydrophobicContact CB-CD2 4.12Å; L22-L43 HydrophobicContact CD2-CD2 3.99Å; L25-L43 HydrophobicContact CD2-CD1 4.18Å; F40-L43 HydrophobicContact CB-CD1 4.19Å; F40-L43 HydrophobicContact CD1-CD1 4.13Å; F40-L43 WeakPolarHBondContact O-CB 3.47Å; F40-L43 PolarHBondContact O-N 3.12Å; R41-L43 VanDerWaalsContact C-N 3.33Å; L43-S45 PolarHBondContact O-N 2.9Å; L43-S45 VanDerWaalsContact O-N 3.1Å; L43-L46 HydrophobicContact CB-CB 4.18Å; L43-L46 HydrophobicContact CD1-CD2 4.14Å; L43-L46 VanDerWaalsContact O-CB 3.29Å; L43-L46 WeakPolarHBondContact O-CB 3.49Å; L43-L46 PolarHBondContact O-N 3.45Å; L43-L67 HydrophobicContact CB-CD2 3.62Å | ||
| 44 | N | 94.5 | Very high | 97.1 | Very high | 77 Ų | 77 | 32 Ų | 32 | 41% | 0.412 | 16% | 0.159 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -63.8 | -21.3 | -169.2 | -57.3 | -6.5 | 0 | 0 | 0 | 113.9 | G42 R69 | G42-N44 PolarHBondContact O-N 2.89Å; N44-R69 WeakPolarHBondContact O-CD 3.41Å; N44-R69 WeakPolarHBondContact O-CG 3.39Å |
| 45 | S | 97.2 | Very high | 97.2 | Very high | 22 Ų | 22 | 35.8 Ų | 35.8 | 15% | 0.154 | 16% | 0.164 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -97.7 | 3 | 178.4 | -58.1 | 0 | 0 | 0 | 0 | 114.7 | H20 L22 Q23 L43 T47 | H20-S45 WeakPolarHBondContact O-CB 3.39Å; H20-S45 PolarHBondContact O-N 2.84Å; H20-S45 PolarHBondContact O-OG 2.95Å; L22-S45 CarbonylContact O-C 3.1Å; Q23-S45 WeakPolarHBondContact CA-O 3.4Å; L43-S45 PolarHBondContact O-N 2.9Å; L43-S45 VanDerWaalsContact O-N 3.1Å; S45-T47 PolarHBondContact O-N 3.19Å |
| 46 | L | 98.3 | Very high | 97.2 | Very high | 0 Ų | 0 | 35.4 Ų | 35.4 | 0% | 0 | 16% | 0.162 | C | C | . | . | trans | -70.3 | 122 | -176.4 | -165.2 | 74.6 | 0 | 0 | 0 | 111.1 | L22 L25 L43 L49 L67 R69 L70 | L22-L46 HydrophobicContact CD2-CD1 4.38Å; L22-L46 HydrophobicContact CG-CD1 4.05Å; L22-L46 WeakPolarHBondContact O-CA 3.47Å; L22-L46 VanDerWaalsContact O-CD1 3.31Å; L22-L46 WeakPolarHBondContact O-CD1 3.43Å; L22-L46 PolarHBondContact O-N 2.93Å; L25-L46 HydrophobicContact CB-CD1 3.76Å; L25-L46 HydrophobicContact CB-CD2 4.48Å; L43-L46 HydrophobicContact CB-CB 4.18Å; L43-L46 HydrophobicContact CD1-CD2 4.14Å; L43-L46 VanDerWaalsContact O-CB 3.29Å; L43-L46 WeakPolarHBondContact O-CB 3.49Å; L43-L46 PolarHBondContact O-N 3.45Å; L46-L49 HydrophobicContact CD2-CB 4.12Å; L46-L67 HydrophobicContact CB-CD2 4.22Å; L46-L67 HydrophobicContact CD2-CD1 4.2Å; L46-L67 HydrophobicContact CD2-CD2 3.96Å; L46-R69 CarbonylContact O-C 3.48Å; L46-L70 HydrophobicContact CD2-CD1 4.02Å; L46-L70 HydrophobicContact CG-CD1 4Å; L46-L70 WeakPolarHBondContact O-CA 3.42Å; L46-L70 PolarHBondContact O-N 2.92Å | ||
| 47 | T | 98.5 | Very high | 97.1 | Very high | 29 Ų | 29 | 37.7 Ų | 37.7 | 18% | 0.178 | 18% | 0.175 | C | C | . | . | trans | -104.6 | -28.7 | 178 | 59.7 | 0 | 0 | 0 | 0 | 112.7 | Q23 S45 E71 W72 | Q23-T47 PolarHBondContact O-N 3.23Å; Q23-T47 PolarHBondContact O-OG1 2.9Å; Q23-T47 VanDerWaalsContact O-OG1 3.05Å; S45-T47 PolarHBondContact O-N 3.19Å; T47-E71 PolarHBondContact O-N 3.46Å; T47-W72 PolarHBondContact O-N 3.23Å | ||
| 48 | K | 98.7 | Very high | 97 | Very high | 36 Ų | 36 | 39.2 Ų | 39.2 | 16% | 0.157 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.7 | 126.9 | -179.7 | -49.8 | -165.4 | 173.6 | -161.6 | 0 | 113 | Q23 K24 L25 Y50 W72 | Q23-K48 PolarHBondContact O-N 3.17Å; Q23-K48 VanDerWaalsContact O-N 3.13Å; K24-K48 WeakPolarHBondContact CA-O 3.29Å; K24-K48 HydrophobicContact CG-CB 4.31Å; L25-K48 PolarHBondContact N-O 3.37Å; K48-Y50 HydrophobicContact CB-CD2 4.41Å; K48-Y50 HydrophobicContact CB-CE2 3.67Å; K48-W72 HydrophobicContact CB-CB 4.36Å; K48-W72 HydrophobicContact CD-CB 4.45Å; K48-W72 HydrophobicContact CD-CD2 3.87Å; K48-W72 HydrophobicContact CD-CE3 3.62Å; K48-W72 HydrophobicContact CD-CG 4.25Å; K48-W72 HydrophobicContact CD-CZ3 4.18Å; K48-W72 HydrophobicContact CG-CB 4.12Å; K48-W72 HydrophobicContact CG-CD2 4.44Å; K48-W72 HydrophobicContact CG-CE3 4.5Å; K48-W72 HydrophobicContact CG-CG 4.31Å; K48-W72 VanDerWaalsContact NZ-CD2 3.35Å; K48-W72 VanDerWaalsContact NZ-CE2 3.27Å; K48-W72 VanDerWaalsContact NZ-CE3 3.26Å |
| 49 | L | 98.6 | Very high | 97 | Very high | 0 Ų | 0 | 34.4 Ų | 34.4 | 0% | 0 | 16% | 0.162 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.6 | 121.2 | 178.2 | 178.4 | 56.1 | 0 | 0 | 0 | 110.5 | L25 L27 F40 L46 L51 F64 L67 L70 W72 L73 I74 | L25-L49 HydrophobicContact CB-CD1 4.04Å; L25-L49 HydrophobicContact CD2-CD1 3.96Å; L25-L49 HydrophobicContact CG-CD1 3.98Å; L27-L49 HydrophobicContact CD1-CD1 4.33Å; F40-L49 HydrophobicContact CD2-CD2 4.45Å; F40-L49 HydrophobicContact CE1-CD1 4.08Å; F40-L49 HydrophobicContact CE1-CD2 4.17Å; F40-L49 HydrophobicContact CE2-CD2 4.11Å; F40-L49 HydrophobicContact CZ-CD1 4.33Å; F40-L49 HydrophobicContact CZ-CD2 3.97Å; L46-L49 HydrophobicContact CD2-CB 4.12Å; L49-L51 HydrophobicContact CD1-CG 4.32Å; L49-L51 HydrophobicContact CD2-CD1 4.19Å; L49-L51 HydrophobicContact CG-CD1 4.2Å; L49-L51 HydrophobicContact CG-CG 4.3Å; L49-F64 HydrophobicContact CD2-CD1 4.28Å; L49-F64 HydrophobicContact CD2-CE1 3.86Å; L49-L67 HydrophobicContact CD2-CD1 4.1Å; L49-L70 HydrophobicContact CB-CD1 3.8Å; L49-L70 HydrophobicContact CB-CD2 4.36Å; L49-W72 PolarHBondContact N-O 3.3Å; L49-L73 HydrophobicContact CB-CD1 4.13Å; L49-L73 HydrophobicContact CD2-CD1 3.92Å; L49-L73 HydrophobicContact CG-CD1 4.01Å; L49-I74 PolarHBondContact O-N 3.36Å |
| 50 | Y | 98.6 | Very high | 96.8 | Very high | 42 Ų | 42 | 39 Ų | 39 | 17% | 0.165 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.3 | 120.9 | -178.7 | -61.3 | -101.9 | 0 | 0 | 0 | 110.2 | L25 Y26 L27 K48 I74 | L25-Y50 PolarHBondContact O-N 2.96Å; Y26-Y50 AromaticContact CD1-CD2 3.37Å; Y26-Y50 HydrophobicContact CD1-CD2 3.37Å; Y26-Y50 AromaticContact CD1-CE2 3.79Å; Y26-Y50 HydrophobicContact CD1-CE2 3.79Å; Y26-Y50 AromaticContact CD1-CG 3.8Å; Y26-Y50 HydrophobicContact CD1-CG 3.8Å; Y26-Y50 AromaticContact CE1-CD2 3.42Å; Y26-Y50 HydrophobicContact CE1-CD2 3.42Å; Y26-Y50 VanDerWaalsContact CE1-CD2 3.42Å; Y26-Y50 HydrophobicContact CE1-CE1 4.48Å; Y26-Y50 AromaticContact CE1-CE2 3.28Å; Y26-Y50 HydrophobicContact CE1-CE2 3.28Å; Y26-Y50 HydrophobicContact CE1-CG 4.11Å; Y26-Y50 AromaticContact CE1-CZ 3.87Å; Y26-Y50 HydrophobicContact CG-CD2 4.34Å; L27-Y50 WeakPolarHBondContact CA-O 3.16Å; L27-Y50 WeakPolarHBondContact CB-O 3.38Å; L27-Y50 PolarHBondContact N-O 3.35Å; K48-Y50 HydrophobicContact CB-CD2 4.41Å; K48-Y50 HydrophobicContact CB-CE2 3.67Å; Y50-I74 HydrophobicContact CD1-CB 4.24Å; Y50-I74 HydrophobicContact CD1-CD1 3.88Å; Y50-I74 HydrophobicContact CD1-CG1 4.3Å; Y50-I74 HydrophobicContact CE1-CD1 3.61Å; Y50-I74 HydrophobicContact CE1-CG1 4.38Å |
| 51 | L | 97.9 | Very high | 96.8 | Very high | 0 Ų | 0 | 42 Ų | 42 | 0% | 0 | 20% | 0.202 | C | C | . | . | trans | -124.2 | 10.6 | -177.9 | -71.9 | 164.9 | 0 | 0 | 0 | 112.5 | L27 I35 F40 L49 N54 I56 I74 I75 N78 | L27-L51 HydrophobicContact CB-CD2 3.89Å; L27-L51 HydrophobicContact CD1-CD2 3.84Å; I35-L51 HydrophobicContact CD1-CD1 4.23Å; I35-L51 HydrophobicContact CD1-CD2 4.12Å; F40-L51 HydrophobicContact CZ-CD1 4.42Å; F40-L51 HydrophobicContact CZ-CD2 4.45Å; L49-L51 HydrophobicContact CD1-CG 4.32Å; L49-L51 HydrophobicContact CD2-CD1 4.19Å; L49-L51 HydrophobicContact CG-CD1 4.2Å; L49-L51 HydrophobicContact CG-CG 4.3Å; L51-N54 PolarHBondContact O-ND2 3.1Å; L51-I56 HydrophobicContact CB-CD1 4.1Å; L51-I56 HydrophobicContact CD1-CD1 4.45Å; L51-I56 HydrophobicContact CD2-CD1 4.28Å; L51-I74 PolarHBondContact N-O 3.19Å; L51-I75 HydrophobicContact CB-CG1 4.23Å; L51-I75 HydrophobicContact CB-CG2 4.25Å; L51-I75 HydrophobicContact CD1-CG1 4.16Å; L51-N78 PolarHBondContact O-ND2 3.17Å | ||
| 52 | S | 97.7 | Very high | 96.7 | Very high | 7 Ų | 7 | 37 Ų | 37 | 5% | 0.049 | 19% | 0.187 | C | C | . | . | trans | -57.2 | 154.3 | -174.8 | -48.6 | 0 | 0 | 0 | 0 | 114.6 | Q28 N29 N54 I74 E76 | Q28-S52 CarbonylContact C-O 3.4Å; Q28-S52 WeakPolarHBondContact CA-O 3.37Å; Q28-S52 VanDerWaalsContact CB-O 3.29Å; Q28-S52 WeakPolarHBondContact CB-O 3.28Å; N29-S52 PolarHBondContact N-O 3.41Å; S52-N54 PolarHBondContact O-ND2 3.44Å; S52-I74 WeakPolarHBondContact OG-CG2 3.49Å; S52-E76 CarbonylContact C-O 3.56Å; S52-E76 WeakPolarHBondContact CA-O 3.35Å | ||
| 53 | H | 97.8 | Very high | 96.8 | Very high | 73 Ų | 73 | 36.7 Ų | 36.7 | 34% | 0.338 | 18% | 0.183 | S | C | . | . | S | Bend | trans | 51 | 60.2 | 179.1 | -42.8 | -66 | 0 | 0 | 0 | 112.1 | N29 N30 E76 D77 | N29-H53 WeakPolarHBondContact CA-O 3.46Å; N29-H53 PolarHBondContact N-O 2.9Å; N29-H53 VanDerWaalsContact OD1-CB 3.29Å; N29-H53 WeakPolarHBondContact OD1-CB 3.28Å; N29-H53 PolarHBondContact OD1-CD2 3.23Å; N29-H53 VanDerWaalsContact OD1-CD2 3.24Å; N30-H53 PolarHBondContact N-O 2.91Å; H53-E76 PolarHBondContact N-O 2.95Å; H53-D77 VanDerWaalsContact CA-O 3.27Å; H53-D77 WeakPolarHBondContact CA-O 3.2Å; H53-D77 IonicContact CE1-OD2 3.52Å; H53-D77 PolarHBondContact CE1-OD2 3.35Å; H53-D77 PolarHBondContact N-O 3.4Å; H53-D77 WeakPolarHBondContact ND1-CB 3.27Å; H53-D77 IonicContact ND1-OD2 2.62Å; H53-D77 PolarHBondContact ND1-OD2 2.91Å |
| 54 | N | 98.2 | Very high | 96.9 | Very high | 8 Ų | 8 | 36.8 Ų | 36.8 | 4% | 0.043 | 18% | 0.184 | C | C | . | . | S | Bend | trans | -129.3 | -162.7 | 175.3 | -89.4 | -75 | 0 | 0 | 0 | 109.2 | L27 N30 K31 I32 L51 S52 I56 D77 N78 | L27-N54 PolarHBondContact O-ND2 2.91Å; N30-N54 WeakPolarHBondContact CA-OD1 3.33Å; N30-N54 WeakPolarHBondContact CB-OD1 3.17Å; K31-N54 PolarHBondContact N-OD1 3.25Å; I32-N54 HydrophobicContact CB-CB 4.32Å; I32-N54 VanDerWaalsContact CB-OD1 3.29Å; I32-N54 WeakPolarHBondContact CB-OD1 3.48Å; I32-N54 WeakPolarHBondContact CG1-OD1 3.5Å; I32-N54 PolarHBondContact N-OD1 3.49Å; L51-N54 PolarHBondContact O-ND2 3.1Å; S52-N54 PolarHBondContact O-ND2 3.44Å; N54-I56 HydrophobicContact CB-CD1 4.28Å; N54-I56 HydrophobicContact CB-CG1 4.17Å; N54-D77 PolarHBondContact N-O 3.19Å; N54-N78 WeakPolarHBondContact CA-OD1 3.3Å; N54-N78 WeakPolarHBondContact CB-OD1 3.4Å |
| 55 | R | 97.4 | Very high | 97 | Very high | 136 Ų | 136 | 37.2 Ų | 37.2 | 51% | 0.513 | 18% | 0.183 | S | C | . | . | trans | -129.5 | 31.5 | -178.4 | -61.6 | -178.5 | -176.1 | -167.5 | -4.4 | 111.2 | I32 T33 T57 N78 | I32-R55 CarbonylContact O-C 3.45Å; I32-R55 WeakPolarHBondContact O-CA 3.19Å; I32-R55 PolarHBondContact O-N 2.86Å; T33-R55 WeakPolarHBondContact CA-O 3.26Å; T33-R55 HydrophobicContact CG2-CB 3.79Å; R55-T57 PolarHBondContact O-N 3.01Å; R55-N78 PolarHBondContact N-OD1 3.01Å | ||
| 56 | I | 97.4 | Very high | 96.9 | Very high | 0 Ų | 0 | 38 Ų | 38 | 0% | 0 | 19% | 0.186 | C | C | . | . | trans | -70.4 | 119.7 | -175.6 | -56.3 | 164.2 | 0 | 0 | 0 | 107.9 | I32 I35 L51 N54 L59 I75 N78 H79 L80 | I32-I56 HydrophobicContact CB-CG1 4.43Å; I32-I56 HydrophobicContact CG2-CG1 4.13Å; I32-I56 WeakPolarHBondContact O-CG1 3.33Å; I32-I56 PolarHBondContact O-N 3.25Å; I32-I56 VanDerWaalsContact O-N 3.14Å; I35-I56 HydrophobicContact CD1-CD1 3.79Å; I35-I56 HydrophobicContact CD1-CG1 4.33Å; L51-I56 HydrophobicContact CB-CD1 4.1Å; L51-I56 HydrophobicContact CD1-CD1 4.45Å; L51-I56 HydrophobicContact CD2-CD1 4.28Å; N54-I56 HydrophobicContact CB-CD1 4.28Å; N54-I56 HydrophobicContact CB-CG1 4.17Å; I56-L59 HydrophobicContact CG2-CD2 4.02Å; I56-L59 HydrophobicContact CG2-CG 4.14Å; I56-I75 HydrophobicContact CD1-CG2 4.29Å; I56-N78 VanDerWaalsContact CB-OD1 3.28Å; I56-N78 WeakPolarHBondContact CB-OD1 3.45Å; I56-N78 VanDerWaalsContact CG1-OD1 3.28Å; I56-N78 WeakPolarHBondContact CG1-OD1 3.48Å; I56-N78 PolarHBondContact N-OD1 2.87Å; I56-H79 CarbonylContact O-C 3.37Å; I56-H79 WeakPolarHBondContact O-CA 3.47Å; I56-H79 PolarHBondContact O-N 3.49Å; I56-L80 HydrophobicContact CG2-CD2 3.84Å; I56-L80 PolarHBondContact O-N 3.28Å; I56-L80 VanDerWaalsContact O-N 3.15Å | ||
| 57 | T | 95.1 | Very high | 96.9 | Very high | 72 Ų | 72 | 38 Ų | 38 | 44% | 0.442 | 19% | 0.186 | S | C | . | . | trans | -97.8 | -23.7 | -178.9 | 54.2 | 0 | 0 | 0 | 0 | 113.6 | R55 H79 | R55-T57 PolarHBondContact O-N 3.01Å; T57-H79 WeakPolarHBondContact CA-O 3.46Å; T57-H79 HydrophobicContact CG2-CB 3.98Å | ||
| 58 | F | 94.3 | Very high | 96.7 | Very high | 82 Ų | 82 | 40.8 Ų | 40.8 | 36% | 0.36 | 20% | 0.197 | S | C | . | . | trans | -157.5 | 141.9 | -176.8 | -177.7 | -109.6 | 0 | 0 | 0 | 111.7 | K60 R82 | F58-K60 HydrophobicContact CD1-CG 4.35Å; F58-K60 HydrophobicContact CE1-CG 4.03Å; F58-R82 HydrophobicContact CD2-CG 4.12Å; F58-R82 HydrophobicContact CE2-CG 4.31Å | ||
| 59 | L | 95.4 | Very high | 96.7 | Very high | 9 Ų | 9 | 46.2 Ų | 46.2 | 5% | 0.047 | 22% | 0.216 | C | C | . | . | trans | -115.9 | 123.1 | 173.1 | -71.8 | 169.2 | 0 | 0 | 0 | 109.4 | I35 I56 V63 F64 I75 L80 T87 | I35-L59 HydrophobicContact CD1-CD2 4.04Å; I56-L59 HydrophobicContact CG2-CD2 4.02Å; I56-L59 HydrophobicContact CG2-CG 4.14Å; L59-V63 HydrophobicContact CB-CG1 4.29Å; L59-V63 HydrophobicContact CD2-CG1 4.36Å; L59-F64 HydrophobicContact CD1-CE2 4.22Å; L59-F64 HydrophobicContact CD1-CZ 4.11Å; L59-F64 HydrophobicContact CD2-CZ 4.34Å; L59-I75 HydrophobicContact CD1-CD1 3.75Å; L59-L80 HydrophobicContact CD1-CD1 4.17Å; L59-L80 HydrophobicContact CD1-CD2 4.23Å; L59-L80 HydrophobicContact CG-CD2 4.05Å; L59-T87 HydrophobicContact CB-CG2 3.49Å; L59-T87 VanDerWaalsContact CB-CG2 3.49Å; L59-T87 HydrophobicContact CD1-CG2 4.46Å; L59-T87 PolarHBondContact O-OG1 3.2Å | ||
| 60 | K | 94.6 | Very high | 96.7 | Very high | 95 Ų | 95 | 46.2 Ų | 46.2 | 41% | 0.413 | 22% | 0.216 | S | C | . | . | trans | -67.3 | 149.4 | -177.5 | -67.8 | -178.3 | 175.8 | -173.9 | 0 | 111.3 | I37 F58 V63 | I37-K60 HydrophobicContact CB-CB 4.48Å; I37-K60 HydrophobicContact CB-CD 4.15Å; I37-K60 HydrophobicContact CG2-CD 3.88Å; F58-K60 HydrophobicContact CD1-CG 4.35Å; F58-K60 HydrophobicContact CE1-CG 4.03Å; K60-V63 WeakPolarHBondContact O-CB 3.39Å; K60-V63 VanDerWaalsContact O-CG1 3.29Å; K60-V63 WeakPolarHBondContact O-CG1 3.43Å; K60-V63 PolarHBondContact O-N 3.05Å | ||
| 61 | P | 95.5 | Very high | 96.7 | Very high | 68 Ų | 68 | 47.7 Ų | 47.7 | 44% | 0.442 | 23% | 0.225 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -47.5 | 139.5 | 162.8 | -28.9 | 37.7 | 0 | 0 | 0 | 111.8 | V63 P86 | P61-V63 PolarHBondContact O-N 3.31Å; P61-P86 WeakPolarHBondContact CA-O 3.39Å; P61-P86 HydrophobicContact CB-CB 4.07Å |
| 62 | G | 94.7 | Very high | 96.7 | Very high | 12 Ų | 12 | 52 Ų | 52 | 12% | 0.124 | 24% | 0.241 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 70.7 | 4.6 | 178.3 | 0 | 0 | 0 | 0 | 0 | 116.4 | F64 E65 P86 | G62-F64 PolarHBondContact O-N 3.31Å; G62-E65 VanDerWaalsContact O-CB 3.27Å; G62-E65 WeakPolarHBondContact O-CB 3.47Å; G62-E65 PolarHBondContact O-N 3.12Å; G62-P86 PolarHBondContact N-O 3.44Å |
| 63 | V | 97.1 | Very high | 96.8 | Very high | 3 Ų | 3 | 51.6 Ų | 51.6 | 2% | 0.018 | 24% | 0.238 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -61 | -17.8 | -178 | 69.8 | 0 | 0 | 0 | 0 | 114.1 | I35 F40 L59 K60 P61 T87 | I35-V63 HydrophobicContact CG2-CG2 3.74Å; F40-V63 HydrophobicContact CD2-CG2 4.37Å; F40-V63 WeakPolarHBondContact CD2-O 3.41Å; F40-V63 HydrophobicContact CE2-CG2 4.47Å; L59-V63 HydrophobicContact CB-CG1 4.29Å; L59-V63 HydrophobicContact CD2-CG1 4.36Å; K60-V63 WeakPolarHBondContact O-CB 3.39Å; K60-V63 VanDerWaalsContact O-CG1 3.29Å; K60-V63 WeakPolarHBondContact O-CG1 3.43Å; K60-V63 PolarHBondContact O-N 3.05Å; P61-V63 PolarHBondContact O-N 3.31Å; V63-T87 HydrophobicContact CG1-CG2 4.15Å |
| 64 | F | 97.3 | Very high | 96.8 | Very high | 1 Ų | 1 | 49.3 Ų | 49.3 | 0% | 0.004 | 23% | 0.228 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -115.2 | 18.2 | 178.3 | -53.7 | -55.4 | 0 | 0 | 0 | 113.5 | F40 L49 L59 G62 D66 L67 L73 I75 T87 Y89 L91 | F40-F64 AromaticContact CD2-CD1 3.92Å; F40-F64 HydrophobicContact CD2-CD1 3.92Å; F40-F64 AromaticContact CD2-CE1 3.98Å; F40-F64 HydrophobicContact CD2-CE1 3.98Å; F40-F64 HydrophobicContact CE2-CD1 4.18Å; F40-F64 AromaticContact CE2-CE1 3.75Å; F40-F64 HydrophobicContact CE2-CE1 3.75Å; L49-F64 HydrophobicContact CD2-CD1 4.28Å; L49-F64 HydrophobicContact CD2-CE1 3.86Å; L59-F64 HydrophobicContact CD1-CE2 4.22Å; L59-F64 HydrophobicContact CD1-CZ 4.11Å; L59-F64 HydrophobicContact CD2-CZ 4.34Å; G62-F64 PolarHBondContact O-N 3.31Å; F64-D66 PolarHBondContact O-N 3.41Å; F64-L67 HydrophobicContact CB-CB 4.42Å; F64-L67 HydrophobicContact CB-CD1 4Å; F64-L67 HydrophobicContact CB-CG 4.31Å; F64-L67 HydrophobicContact CD1-CD1 3.66Å; F64-L67 HydrophobicContact CG-CD1 4.24Å; F64-L67 VanDerWaalsContact O-CB 3.3Å; F64-L67 WeakPolarHBondContact O-CB 3.24Å; F64-L67 PolarHBondContact O-N 3Å; F64-L73 HydrophobicContact CD2-CD2 4.13Å; F64-L73 HydrophobicContact CE1-CD1 4.34Å; F64-L73 HydrophobicContact CE1-CD2 4.49Å; F64-L73 HydrophobicContact CE2-CD2 3.66Å; F64-L73 HydrophobicContact CZ-CD1 4.14Å; F64-L73 HydrophobicContact CZ-CD2 3.86Å; F64-I75 HydrophobicContact CZ-CD1 4.48Å; F64-T87 WeakPolarHBondContact CD2-O 3.27Å; F64-T87 HydrophobicContact CE2-CG2 4.36Å; F64-Y89 CarbonylContact C-O 3.13Å; F64-L91 HydrophobicContact CB-CD1 4.19Å; F64-L91 HydrophobicContact CB-CD2 3.77Å; F64-L91 HydrophobicContact CB-CG 3.97Å; F64-L91 HydrophobicContact CD2-CD1 3.98Å; F64-L91 HydrophobicContact CG-CD1 4.34Å; F64-L91 HydrophobicContact CG-CD2 4.48Å |
| 65 | E | 95.9 | Very high | 96.8 | Very high | 86 Ų | 86 | 48.9 Ų | 48.9 | 40% | 0.402 | 23% | 0.226 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -51.2 | -50 | -170.2 | 178.5 | 164.5 | -150.1 | 0 | 0 | 114 | G62 L67 H68 Y89 G90 | G62-E65 VanDerWaalsContact O-CB 3.27Å; G62-E65 WeakPolarHBondContact O-CB 3.47Å; G62-E65 PolarHBondContact O-N 3.12Å; E65-L67 VanDerWaalsContact C-N 3.25Å; E65-L67 PolarHBondContact O-N 2.76Å; E65-H68 PolarHBondContact O-CE1 2.72Å; E65-H68 PolarHBondContact O-ND1 2.94Å; E65-Y89 WeakPolarHBondContact CA-O 3.42Å; E65-Y89 HydrophobicContact CB-CD1 4.35Å; E65-Y89 HydrophobicContact CG-CD1 3.94Å; E65-Y89 HydrophobicContact CG-CE1 4.09Å; E65-Y89 PolarHBondContact N-O 3.01Å; E65-G90 VanDerWaalsContact O-CA 3.29Å; E65-G90 WeakPolarHBondContact O-CA 3.44Å |
| 66 | D | 95.9 | Very high | 96.7 | Very high | 40 Ų | 40 | 44.7 Ų | 44.7 | 21% | 0.214 | 21% | 0.212 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -75.8 | -6.3 | -178.6 | -67.1 | -10.1 | 0 | 0 | 0 | 114 | R41 G42 F64 H68 | R41-D66 VanDerWaalsContact CA-OD2 3.27Å; R41-D66 WeakPolarHBondContact CA-OD2 3.31Å; R41-D66 WeakPolarHBondContact CG-OD2 3.13Å; G42-D66 PolarHBondContact N-OD2 2.96Å; F64-D66 PolarHBondContact O-N 3.41Å; D66-H68 PolarHBondContact O-N 3.31Å |
| 67 | L | 97.4 | Very high | 96.8 | Very high | 0 Ų | 0 | 47.2 Ų | 47.2 | 0% | 0 | 23% | 0.226 | C | C | . | . | trans | -83.3 | 45.4 | -170.1 | -57.3 | -169.5 | 0 | 0 | 0 | 113.4 | F40 L43 L46 L49 F64 E65 R69 L70 L91 | F40-L67 HydrophobicContact CB-CD1 4.19Å; F40-L67 HydrophobicContact CB-CD2 4.14Å; F40-L67 HydrophobicContact CB-CG 4.38Å; F40-L67 HydrophobicContact CG-CD1 4.47Å; L43-L67 HydrophobicContact CB-CD2 3.62Å; L46-L67 HydrophobicContact CB-CD2 4.22Å; L46-L67 HydrophobicContact CD2-CD1 4.2Å; L46-L67 HydrophobicContact CD2-CD2 3.96Å; L49-L67 HydrophobicContact CD2-CD1 4.1Å; F64-L67 HydrophobicContact CB-CB 4.42Å; F64-L67 HydrophobicContact CB-CD1 4Å; F64-L67 HydrophobicContact CB-CG 4.31Å; F64-L67 HydrophobicContact CD1-CD1 3.66Å; F64-L67 HydrophobicContact CG-CD1 4.24Å; F64-L67 VanDerWaalsContact O-CB 3.3Å; F64-L67 WeakPolarHBondContact O-CB 3.24Å; F64-L67 PolarHBondContact O-N 3Å; E65-L67 VanDerWaalsContact C-N 3.25Å; E65-L67 PolarHBondContact O-N 2.76Å; L67-R69 PolarHBondContact O-N 3.14Å; L67-R69 VanDerWaalsContact O-N 3.12Å; L67-L70 HydrophobicContact CB-CB 4.04Å; L67-L70 HydrophobicContact CB-CD2 4.47Å; L67-L70 HydrophobicContact CD1-CD2 4.08Å; L67-L70 VanDerWaalsContact O-CB 3.27Å; L67-L70 WeakPolarHBondContact O-CB 3.45Å; L67-L70 PolarHBondContact O-N 2.81Å; L67-L91 HydrophobicContact CB-CD2 3.88Å | ||
| 68 | H | 96.1 | Very high | 96.9 | Very high | 87 Ų | 87 | 44 Ų | 44 | 40% | 0.403 | 21% | 0.206 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -60.9 | -24.8 | -172.3 | -56.9 | -37.7 | 0 | 0 | 0 | 115.3 | E65 D66 G90 S93 | E65-H68 PolarHBondContact O-CE1 2.72Å; E65-H68 PolarHBondContact O-ND1 2.94Å; D66-H68 PolarHBondContact O-N 3.31Å; H68-G90 WeakPolarHBondContact CA-O 3.42Å; H68-G90 PolarHBondContact ND1-O 3Å; H68-S93 WeakPolarHBondContact O-CB 3.19Å; H68-S93 PolarHBondContact O-OG 3.39Å |
| 69 | R | 97.7 | Very high | 97 | Very high | 149 Ų | 149 | 44.5 Ų | 44.5 | 56% | 0.562 | 21% | 0.209 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -97.9 | 4.8 | 178 | -66.9 | -175.9 | 176.8 | 167.2 | -2.8 | 113.9 | N44 L46 L67 E71 | N44-R69 WeakPolarHBondContact O-CD 3.41Å; N44-R69 WeakPolarHBondContact O-CG 3.39Å; L46-R69 CarbonylContact O-C 3.48Å; L67-R69 PolarHBondContact O-N 3.14Å; L67-R69 VanDerWaalsContact O-N 3.12Å; R69-E71 PolarHBondContact O-N 2.8Å |
| 70 | L | 98.4 | Very high | 97.1 | Very high | 0 Ų | 0 | 44.1 Ų | 44.1 | 0% | 0 | 21% | 0.207 | C | C | . | . | trans | -69.1 | 122.3 | -178.1 | -166.8 | 76.1 | 0 | 0 | 0 | 110.2 | L46 L49 L67 L73 L91 S93 L94 | L46-L70 HydrophobicContact CD2-CD1 4.02Å; L46-L70 HydrophobicContact CG-CD1 4Å; L46-L70 WeakPolarHBondContact O-CA 3.42Å; L46-L70 PolarHBondContact O-N 2.92Å; L49-L70 HydrophobicContact CB-CD1 3.8Å; L49-L70 HydrophobicContact CB-CD2 4.36Å; L67-L70 HydrophobicContact CB-CB 4.04Å; L67-L70 HydrophobicContact CB-CD2 4.47Å; L67-L70 HydrophobicContact CD1-CD2 4.08Å; L67-L70 VanDerWaalsContact O-CB 3.27Å; L67-L70 WeakPolarHBondContact O-CB 3.45Å; L67-L70 PolarHBondContact O-N 2.81Å; L70-L73 HydrophobicContact CD2-CB 4Å; L70-L73 HydrophobicContact CD2-CD1 4.39Å; L70-L73 HydrophobicContact CD2-CD2 4.49Å; L70-L91 HydrophobicContact CB-CD2 3.98Å; L70-L91 HydrophobicContact CD2-CD2 3.67Å; L70-L91 HydrophobicContact CG-CD2 4.44Å; L70-S93 CarbonylContact O-C 3.31Å; L70-L94 HydrophobicContact CB-CD1 4.46Å; L70-L94 HydrophobicContact CD2-CD1 4Å; L70-L94 HydrophobicContact CG-CD1 4.04Å; L70-L94 WeakPolarHBondContact O-CA 3.35Å; L70-L94 PolarHBondContact O-N 3.01Å | ||
| 71 | E | 98.6 | Very high | 97 | Very high | 74 Ų | 74 | 41.9 Ų | 41.9 | 35% | 0.346 | 20% | 0.204 | S | C | . | . | trans | -98.3 | -42.4 | 177.7 | -63.3 | 176 | 169.9 | 0 | 0 | 110.9 | T47 R69 L94 I95 L96 | T47-E71 PolarHBondContact O-N 3.46Å; R69-E71 PolarHBondContact O-N 2.8Å; E71-L94 WeakPolarHBondContact O-CD1 3.48Å; E71-I95 HydrophobicContact CB-CD1 4.3Å; E71-I95 HydrophobicContact CG-CD1 4.25Å; E71-I95 PolarHBondContact O-N 2.81Å; E71-L96 PolarHBondContact O-N 3Å | ||
| 72 | W | 98.7 | Very high | 96.9 | Very high | 89 Ų | 89 | 46.2 Ų | 46.2 | 34% | 0.337 | 21% | 0.211 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.8 | 122.7 | -173.7 | -64.4 | 9 | 0 | 0 | 0 | 111.1 | T47 K48 L49 L96 | T47-W72 PolarHBondContact O-N 3.23Å; K48-W72 HydrophobicContact CB-CB 4.36Å; K48-W72 HydrophobicContact CD-CB 4.45Å; K48-W72 HydrophobicContact CD-CD2 3.87Å; K48-W72 HydrophobicContact CD-CE3 3.62Å; K48-W72 HydrophobicContact CD-CG 4.25Å; K48-W72 HydrophobicContact CD-CZ3 4.18Å; K48-W72 HydrophobicContact CG-CB 4.12Å; K48-W72 HydrophobicContact CG-CD2 4.44Å; K48-W72 HydrophobicContact CG-CE3 4.5Å; K48-W72 HydrophobicContact CG-CG 4.31Å; K48-W72 VanDerWaalsContact NZ-CD2 3.35Å; K48-W72 VanDerWaalsContact NZ-CE2 3.27Å; K48-W72 VanDerWaalsContact NZ-CE3 3.26Å; L49-W72 PolarHBondContact N-O 3.3Å; W72-L96 HydrophobicContact CB-CD2 4.17Å; W72-L96 HydrophobicContact CG-CB 4.34Å; W72-L96 HydrophobicContact CG-CD2 4.19Å |
| 73 | L | 98.6 | Very high | 96.8 | Very high | 0 Ų | 0 | 46.5 Ų | 46.5 | 0% | 0 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.4 | 113.1 | 173.7 | 178.9 | 55.3 | 0 | 0 | 0 | 109.7 | L49 F64 L70 I75 L91 L94 L96 L97 V98 | L49-L73 HydrophobicContact CB-CD1 4.13Å; L49-L73 HydrophobicContact CD2-CD1 3.92Å; L49-L73 HydrophobicContact CG-CD1 4.01Å; F64-L73 HydrophobicContact CD2-CD2 4.13Å; F64-L73 HydrophobicContact CE1-CD1 4.34Å; F64-L73 HydrophobicContact CE1-CD2 4.49Å; F64-L73 HydrophobicContact CE2-CD2 3.66Å; F64-L73 HydrophobicContact CZ-CD1 4.14Å; F64-L73 HydrophobicContact CZ-CD2 3.86Å; L70-L73 HydrophobicContact CD2-CB 4Å; L70-L73 HydrophobicContact CD2-CD1 4.39Å; L70-L73 HydrophobicContact CD2-CD2 4.49Å; L73-I75 HydrophobicContact CD1-CD1 3.94Å; L73-I75 HydrophobicContact CD1-CG1 3.91Å; L73-I75 HydrophobicContact CD2-CD1 4.04Å; L73-I75 HydrophobicContact CG-CD1 3.83Å; L73-I75 HydrophobicContact CG-CG1 4.12Å; L73-L91 HydrophobicContact CD2-CD1 3.99Å; L73-L94 HydrophobicContact CB-CD1 3.8Å; L73-L94 HydrophobicContact CB-CD2 4.43Å; L73-L96 PolarHBondContact N-O 3.47Å; L73-L97 HydrophobicContact CB-CD1 4.14Å; L73-L97 HydrophobicContact CD2-CD1 3.95Å; L73-L97 HydrophobicContact CG-CD1 3.98Å; L73-L97 WeakPolarHBondContact O-CA 3.32Å; L73-V98 PolarHBondContact O-N 3.14Å |
| 74 | I | 98.5 | Very high | 96.5 | Very high | 24 Ų | 24 | 48.6 Ų | 48.6 | 12% | 0.123 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.2 | 116.9 | -177.1 | -51 | -168.7 | 0 | 0 | 0 | 109.6 | L49 Y50 L51 S52 E76 L96 V98 | L49-I74 PolarHBondContact O-N 3.36Å; Y50-I74 HydrophobicContact CD1-CB 4.24Å; Y50-I74 HydrophobicContact CD1-CD1 3.88Å; Y50-I74 HydrophobicContact CD1-CG1 4.3Å; Y50-I74 HydrophobicContact CE1-CD1 3.61Å; Y50-I74 HydrophobicContact CE1-CG1 4.38Å; L51-I74 PolarHBondContact N-O 3.19Å; S52-I74 WeakPolarHBondContact OG-CG2 3.49Å; I74-E76 HydrophobicContact CG2-CB 4.26Å; I74-L96 HydrophobicContact CD1-CD2 4.13Å; I74-L96 HydrophobicContact CG1-CD2 3.95Å; I74-V98 HydrophobicContact CB-CB 4.44Å; I74-V98 HydrophobicContact CG1-CB 4.39Å; I74-V98 HydrophobicContact CG2-CB 4.02Å; I74-V98 HydrophobicContact CG2-CG1 4.08Å |
| 75 | I | 97.6 | Very high | 96.3 | Very high | 0 Ų | 0 | 48.8 Ų | 48.8 | 0% | 0 | 23% | 0.226 | C | C | . | . | trans | -132.7 | 51.3 | -178.1 | -43.7 | 154.5 | 0 | 0 | 0 | 109 | L51 I56 L59 F64 L73 N78 L80 V98 L99 N102 | L51-I75 HydrophobicContact CB-CG1 4.23Å; L51-I75 HydrophobicContact CB-CG2 4.25Å; L51-I75 HydrophobicContact CD1-CG1 4.16Å; I56-I75 HydrophobicContact CD1-CG2 4.29Å; L59-I75 HydrophobicContact CD1-CD1 3.75Å; F64-I75 HydrophobicContact CZ-CD1 4.48Å; L73-I75 HydrophobicContact CD1-CD1 3.94Å; L73-I75 HydrophobicContact CD1-CG1 3.91Å; L73-I75 HydrophobicContact CD2-CD1 4.04Å; L73-I75 HydrophobicContact CG-CD1 3.83Å; L73-I75 HydrophobicContact CG-CG1 4.12Å; I75-N78 HydrophobicContact CG2-CB 4.35Å; I75-L80 HydrophobicContact CG2-CD1 3.89Å; I75-V98 PolarHBondContact N-O 2.9Å; I75-L99 HydrophobicContact CB-CD2 4.19Å; I75-L99 HydrophobicContact CD1-CD2 3.99Å; I75-N102 PolarHBondContact O-ND2 3.15Å | ||
| 76 | E | 96.8 | Very high | 96.3 | Very high | 48 Ų | 48 | 47.2 Ų | 47.2 | 22% | 0.224 | 22% | 0.223 | C | C | . | . | trans | -72.5 | 156.2 | 176.8 | 172.5 | -174.1 | -169.8 | 0 | 0 | 112.1 | S52 H53 I74 N78 V98 M100 | S52-E76 CarbonylContact C-O 3.56Å; S52-E76 WeakPolarHBondContact CA-O 3.35Å; H53-E76 PolarHBondContact N-O 2.95Å; I74-E76 HydrophobicContact CG2-CB 4.26Å; E76-N78 PolarHBondContact O-N 3.35Å; E76-N78 PolarHBondContact O-ND2 2.66Å; E76-V98 HydrophobicContact CB-CG1 4.47Å; E76-M100 CarbonylContact C-O 3.53Å; E76-M100 VanDerWaalsContact CA-O 3.3Å; E76-M100 WeakPolarHBondContact CA-O 3.34Å; E76-M100 HydrophobicContact CG-CB 4.42Å; E76-M100 HydrophobicContact CG-CE 3.91Å; E76-M100 WeakPolarHBondContact OE1-CE 3.47Å | ||
| 77 | D | 97.8 | Very high | 96.2 | Very high | 53 Ų | 53 | 45.4 Ų | 45.4 | 28% | 0.283 | 21% | 0.214 | S | C | . | . | S | Bend | trans | 46.8 | 64.4 | 173.5 | -76.3 | -35.8 | 0 | 0 | 0 | 112.6 | H53 N54 M100 N101 | H53-D77 VanDerWaalsContact CA-O 3.27Å; H53-D77 WeakPolarHBondContact CA-O 3.2Å; H53-D77 IonicContact CE1-OD2 3.52Å; H53-D77 PolarHBondContact CE1-OD2 3.35Å; H53-D77 PolarHBondContact N-O 3.4Å; H53-D77 WeakPolarHBondContact ND1-CB 3.27Å; H53-D77 IonicContact ND1-OD2 2.62Å; H53-D77 PolarHBondContact ND1-OD2 2.91Å; N54-D77 PolarHBondContact N-O 3.19Å; D77-M100 PolarHBondContact N-O 3.01Å; D77-M100 VanDerWaalsContact N-O 3.08Å; D77-N101 WeakPolarHBondContact CA-O 3.3Å; D77-N101 WeakPolarHBondContact OD1-CB 3.45Å; D77-N101 PolarHBondContact OD1-ND2 3.13Å |
| 78 | N | 97.8 | Very high | 96.2 | Very high | 3 Ų | 3 | 45.5 Ų | 45.5 | 2% | 0.016 | 21% | 0.214 | C | C | . | . | S | Bend | trans | -136.2 | -168.3 | -179.9 | -92.8 | -86.5 | 0 | 0 | 0 | 109.2 | L51 N54 R55 I56 I75 E76 N101 N102 | L51-N78 PolarHBondContact O-ND2 3.17Å; N54-N78 WeakPolarHBondContact CA-OD1 3.3Å; N54-N78 WeakPolarHBondContact CB-OD1 3.4Å; R55-N78 PolarHBondContact N-OD1 3.01Å; I56-N78 VanDerWaalsContact CB-OD1 3.28Å; I56-N78 WeakPolarHBondContact CB-OD1 3.45Å; I56-N78 VanDerWaalsContact CG1-OD1 3.28Å; I56-N78 WeakPolarHBondContact CG1-OD1 3.48Å; I56-N78 PolarHBondContact N-OD1 2.87Å; I75-N78 HydrophobicContact CG2-CB 4.35Å; E76-N78 PolarHBondContact O-N 3.35Å; E76-N78 PolarHBondContact O-ND2 2.66Å; N78-N101 PolarHBondContact N-O 3.48Å; N78-N102 WeakPolarHBondContact CA-OD1 3.25Å; N78-N102 WeakPolarHBondContact CB-OD1 3.42Å |
| 79 | H | 96.6 | Very high | 96.2 | Very high | 94 Ų | 94 | 46.9 Ų | 46.9 | 44% | 0.435 | 22% | 0.216 | S | C | . | . | trans | -122.5 | 30 | -176.1 | -59.5 | -29.8 | 0 | 0 | 0 | 112 | I56 T57 S81 N102 V103 | I56-H79 CarbonylContact O-C 3.37Å; I56-H79 WeakPolarHBondContact O-CA 3.47Å; I56-H79 PolarHBondContact O-N 3.49Å; T57-H79 WeakPolarHBondContact CA-O 3.46Å; T57-H79 HydrophobicContact CG2-CB 3.98Å; H79-S81 PolarHBondContact O-N 2.97Å; H79-S81 VanDerWaalsContact O-N 3.17Å; H79-N102 PolarHBondContact N-OD1 3.4Å; H79-V103 WeakPolarHBondContact O-CG2 3.44Å | ||
| 80 | L | 96.7 | Very high | 95.9 | Very high | 0 Ų | 0 | 40 Ų | 40 | 0% | 0 | 19% | 0.192 | C | C | . | . | trans | -63.7 | 118.7 | 178.3 | -64.7 | 174.7 | 0 | 0 | 0 | 109.8 | I56 L59 I75 L99 N102 V103 L104 | I56-L80 HydrophobicContact CG2-CD2 3.84Å; I56-L80 PolarHBondContact O-N 3.28Å; I56-L80 VanDerWaalsContact O-N 3.15Å; L59-L80 HydrophobicContact CD1-CD1 4.17Å; L59-L80 HydrophobicContact CD1-CD2 4.23Å; L59-L80 HydrophobicContact CG-CD2 4.05Å; I75-L80 HydrophobicContact CG2-CD1 3.89Å; L80-L99 HydrophobicContact CD1-CD2 3.82Å; L80-N102 HydrophobicContact CB-CB 4.13Å; L80-N102 VanDerWaalsContact CB-OD1 3.25Å; L80-N102 WeakPolarHBondContact CB-OD1 3.46Å; L80-N102 WeakPolarHBondContact CG-OD1 3.5Å; L80-N102 PolarHBondContact N-OD1 2.93Å; L80-V103 CarbonylContact O-C 3.53Å; L80-V103 WeakPolarHBondContact O-CA 3.25Å; L80-V103 WeakPolarHBondContact O-CG2 3.45Å; L80-V103 PolarHBondContact O-N 3.46Å; L80-L104 HydrophobicContact CB-CD2 4.04Å; L80-L104 WeakPolarHBondContact O-CD2 3.28Å; L80-L104 PolarHBondContact O-N 2.72Å; L80-L104 VanDerWaalsContact O-N 3.12Å | ||
| 81 | S | 93.8 | Very high | 95.9 | Very high | 49 Ų | 49 | 40 Ų | 40 | 34% | 0.343 | 19% | 0.192 | S | C | . | . | trans | -95.2 | -18.6 | -179.7 | 51.9 | 0 | 0 | 0 | 0 | 113.7 | H79 | H79-S81 PolarHBondContact O-N 2.97Å; H79-S81 VanDerWaalsContact O-N 3.17Å | ||
| 82 | R | 92.4 | Very high | 95.7 | Very high | 158 Ų | 158 | 40.5 Ų | 40.5 | 60% | 0.596 | 20% | 0.197 | S | C | * | . | trans | -157.8 | 146.1 | -178.2 | 52.1 | -176.7 | 161.3 | -171.7 | -7.6 | 110.7 | F58 | F58-R82 HydrophobicContact CD2-CG 4.12Å; F58-R82 HydrophobicContact CE2-CG 4.31Å | ||
| 83 | I | 93 | Very high | 95.7 | Very high | 19 Ų | 19 | 37.7 Ų | 37.7 | 10% | 0.097 | 19% | 0.191 | C | C | . | . | trans | -116.5 | 153.8 | 165.3 | 61.9 | -177.9 | 0 | 0 | 0 | 109.5 | F88 L99 L104 L107 L112 | I83-F88 HydrophobicContact CB-CE2 4.21Å; I83-F88 HydrophobicContact CB-CZ 4.32Å; I83-F88 HydrophobicContact CD1-CE2 4.44Å; I83-F88 HydrophobicContact CG2-CZ 4.31Å; I83-L99 HydrophobicContact CD1-CD1 4.17Å; I83-L99 HydrophobicContact CG2-CD1 4.24Å; I83-L104 HydrophobicContact CG2-CD1 4.32Å; I83-L104 HydrophobicContact CG2-CD2 3.9Å; I83-L107 HydrophobicContact CD1-CD2 4.06Å; I83-L112 HydrophobicContact CD1-CD1 3.79Å; I83-L112 HydrophobicContact CD1-CD2 4.4Å; I83-L112 HydrophobicContact CG1-CD1 4.44Å | ||
| 84 | S | 91.8 | Very high | 95.7 | Very high | 47 Ų | 47 | 37.7 Ų | 37.7 | 33% | 0.329 | 19% | 0.191 | S | C | . | . | trans | -133.7 | 135.3 | 178.3 | -167.8 | 0 | 0 | 0 | 0 | 108 | P86 T87 | S84-P86 VanDerWaalsContact C-N 3.33Å; S84-T87 WeakPolarHBondContact O-CB 3.4Å; S84-T87 PolarHBondContact O-N 3.44Å; S84-T87 PolarHBondContact O-OG1 3.5Å | ||
| 85 | P | 92.9 | Very high | 95.7 | Very high | 4 Ų | 4 | 39.3 Ų | 39.3 | 3% | 0.026 | 20% | 0.199 | C | C | . | . | G | 310 helix | trans | -55.5 | -39.5 | -176 | -24.7 | 34.3 | 0 | 0 | 0 | 114.1 | T87 F88 P108 K110 H115 | P85-T87 PolarHBondContact O-N 2.86Å; P85-T87 VanDerWaalsContact O-N 3.1Å; P85-F88 PolarHBondContact O-N 3.3Å; P85-P108 HydrophobicContact CG-CB 4.06Å; P85-P108 HydrophobicContact CG-CG 3.91Å; P85-K110 HydrophobicContact CG-CB 4.04Å; P85-H115 PolarHBondContact O-CD2 2.98Å |
| 86 | P | 94.9 | Very high | 95.7 | Very high | 53 Ų | 53 | 40.8 Ų | 40.8 | 34% | 0.344 | 21% | 0.207 | S | C | . | . | G | 310 helix | trans | -61.6 | -13.1 | 173 | -27.3 | 37.5 | 0 | 0 | 0 | 116.2 | P61 G62 S84 F88 Y89 | P61-P86 WeakPolarHBondContact CA-O 3.39Å; P61-P86 HydrophobicContact CB-CB 4.07Å; G62-P86 PolarHBondContact N-O 3.44Å; S84-P86 VanDerWaalsContact C-N 3.33Å; P86-F88 PolarHBondContact O-N 3.05Å; P86-Y89 WeakPolarHBondContact O-CB 3.48Å; P86-Y89 PolarHBondContact O-N 2.89Å |
| 87 | T | 94.9 | Very high | 95.8 | Very high | 3 Ų | 3 | 38.5 Ų | 38.5 | 2% | 0.018 | 20% | 0.196 | C | C | . | . | G | 310 helix | trans | -63.3 | -31.6 | 169.4 | -61.5 | 0 | 0 | 0 | 0 | 111.3 | L59 V63 F64 S84 P85 | L59-T87 HydrophobicContact CB-CG2 3.49Å; L59-T87 VanDerWaalsContact CB-CG2 3.49Å; L59-T87 HydrophobicContact CD1-CG2 4.46Å; L59-T87 PolarHBondContact O-OG1 3.2Å; V63-T87 HydrophobicContact CG1-CG2 4.15Å; F64-T87 WeakPolarHBondContact CD2-O 3.27Å; F64-T87 HydrophobicContact CE2-CG2 4.36Å; S84-T87 WeakPolarHBondContact O-CB 3.4Å; S84-T87 PolarHBondContact O-N 3.44Å; S84-T87 PolarHBondContact O-OG1 3.5Å; P85-T87 PolarHBondContact O-N 2.86Å; P85-T87 VanDerWaalsContact O-N 3.1Å |
| 88 | F | 96.3 | Very high | 95.8 | Very high | 2 Ų | 2 | 36.7 Ų | 36.7 | 1% | 0.009 | 19% | 0.187 | C | C | . | . | G | 310 helix | trans | -94.8 | 12.9 | -178.8 | -53.3 | -67.8 | 0 | 0 | 0 | 113.3 | I83 P85 P86 G90 L91 L97 L112 H115 M116 | I83-F88 HydrophobicContact CB-CE2 4.21Å; I83-F88 HydrophobicContact CB-CZ 4.32Å; I83-F88 HydrophobicContact CD1-CE2 4.44Å; I83-F88 HydrophobicContact CG2-CZ 4.31Å; P85-F88 PolarHBondContact O-N 3.3Å; P86-F88 PolarHBondContact O-N 3.05Å; F88-G90 PolarHBondContact O-N 3.32Å; F88-L91 HydrophobicContact CB-CD1 4.01Å; F88-L91 HydrophobicContact CD1-CD1 3.88Å; F88-L91 HydrophobicContact CG-CD1 4.44Å; F88-L91 WeakPolarHBondContact O-CB 3.36Å; F88-L91 PolarHBondContact O-N 3.45Å; F88-L97 HydrophobicContact CD1-CD2 4.44Å; F88-L97 HydrophobicContact CE1-CD1 4.17Å; F88-L97 HydrophobicContact CE1-CD2 3.84Å; F88-L97 HydrophobicContact CZ-CD2 3.91Å; F88-L112 HydrophobicContact CD2-CD1 4.38Å; F88-L112 HydrophobicContact CE2-CD1 3.97Å; F88-H115 VanDerWaalsContact O-CB 3.27Å; F88-H115 WeakPolarHBondContact O-CB 3.25Å; F88-M116 HydrophobicContact CB-CE 3.93Å; F88-M116 HydrophobicContact CB-CG 3.92Å; F88-M116 HydrophobicContact CB-SD 3.68Å; F88-M116 HydrophobicContact CD1-CE 4.29Å; F88-M116 HydrophobicContact CD1-SD 3.84Å; F88-M116 HydrophobicContact CD2-CE 3.63Å; F88-M116 HydrophobicContact CD2-SD 4.23Å; F88-M116 HydrophobicContact CE2-CE 4.2Å; F88-M116 HydrophobicContact CG-CE 3.69Å; F88-M116 HydrophobicContact CG-SD 3.65Å |
| 89 | Y | 95.8 | Very high | 95.8 | Very high | 115 Ų | 115 | 36.6 Ų | 36.6 | 45% | 0.451 | 19% | 0.186 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -55.7 | 135.9 | 174.1 | -169.8 | -100.1 | 0 | 0 | 0 | 110.4 | F64 E65 P86 H115 | F64-Y89 CarbonylContact C-O 3.13Å; E65-Y89 WeakPolarHBondContact CA-O 3.42Å; E65-Y89 HydrophobicContact CB-CD1 4.35Å; E65-Y89 HydrophobicContact CG-CD1 3.94Å; E65-Y89 HydrophobicContact CG-CE1 4.09Å; E65-Y89 PolarHBondContact N-O 3.01Å; P86-Y89 WeakPolarHBondContact O-CB 3.48Å; P86-Y89 PolarHBondContact O-N 2.89Å; Y89-H115 AromaticContact CD2-CE1 3.62Å; Y89-H115 AromaticContact CD2-ND1 3.62Å |
| 90 | G | 92.7 | Very high | 95.9 | Very high | 5 Ų | 5 | 33.9 Ų | 33.9 | 5% | 0.052 | 17% | 0.174 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 95.1 | -19.7 | -177.3 | 0 | 0 | 0 | 0 | 0 | 115.9 | E65 H68 F88 N92 | E65-G90 VanDerWaalsContact O-CA 3.29Å; E65-G90 WeakPolarHBondContact O-CA 3.44Å; H68-G90 WeakPolarHBondContact CA-O 3.42Å; H68-G90 PolarHBondContact ND1-O 3Å; F88-G90 PolarHBondContact O-N 3.32Å; G90-N92 PolarHBondContact O-N 3.11Å |
| 91 | L | 97.1 | Very high | 95.9 | Very high | 0 Ų | 0 | 36.6 Ų | 36.6 | 0% | 0 | 19% | 0.189 | C | C | . | . | trans | -79.1 | 48.1 | -170.5 | -65.1 | -173.7 | 0 | 0 | 0 | 115.2 | F64 L67 L70 L73 F88 S93 L94 H115 M116 | F64-L91 HydrophobicContact CB-CD1 4.19Å; F64-L91 HydrophobicContact CB-CD2 3.77Å; F64-L91 HydrophobicContact CB-CG 3.97Å; F64-L91 HydrophobicContact CD2-CD1 3.98Å; F64-L91 HydrophobicContact CG-CD1 4.34Å; F64-L91 HydrophobicContact CG-CD2 4.48Å; L67-L91 HydrophobicContact CB-CD2 3.88Å; L70-L91 HydrophobicContact CB-CD2 3.98Å; L70-L91 HydrophobicContact CD2-CD2 3.67Å; L70-L91 HydrophobicContact CG-CD2 4.44Å; L73-L91 HydrophobicContact CD2-CD1 3.99Å; F88-L91 HydrophobicContact CB-CD1 4.01Å; F88-L91 HydrophobicContact CD1-CD1 3.88Å; F88-L91 HydrophobicContact CG-CD1 4.44Å; F88-L91 WeakPolarHBondContact O-CB 3.36Å; F88-L91 PolarHBondContact O-N 3.45Å; L91-S93 VanDerWaalsContact C-N 3.26Å; L91-S93 PolarHBondContact O-N 3.46Å; L91-L94 HydrophobicContact CB-CB 4.16Å; L91-L94 HydrophobicContact CD1-CD2 4.07Å; L91-L94 PolarHBondContact O-N 3.25Å; L91-L94 VanDerWaalsContact O-N 3.16Å; L91-H115 CarbonylContact C-O 3.29Å; L91-M116 HydrophobicContact CB-CG 3.96Å; L91-M116 HydrophobicContact CD1-SD 4.46Å | ||
| 92 | N | 95.6 | Very high | 96.1 | Very high | 85 Ų | 85 | 34.4 Ų | 34.4 | 46% | 0.455 | 17% | 0.174 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -61.9 | -26.2 | -172.8 | -63.6 | -32.8 | 0 | 0 | 0 | 114.9 | G90 | G90-N92 PolarHBondContact O-N 3.11Š|
| 93 | S | 97.6 | Very high | 96.3 | Very high | 30 Ų | 30 | 29.5 Ų | 29.5 | 21% | 0.21 | 16% | 0.161 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -101.2 | 5.1 | 179.1 | -78.2 | 0 | 0 | 0 | 0 | 114.7 | H68 L70 L91 I95 | H68-S93 WeakPolarHBondContact O-CB 3.19Å; H68-S93 PolarHBondContact O-OG 3.39Å; L70-S93 CarbonylContact O-C 3.31Å; L91-S93 VanDerWaalsContact C-N 3.26Å; L91-S93 PolarHBondContact O-N 3.46Å; S93-I95 PolarHBondContact O-N 3.47Å |
| 94 | L | 98.4 | Very high | 96.5 | Very high | 0 Ų | 0 | 28.6 Ų | 28.6 | 0% | 0 | 16% | 0.156 | C | C | . | . | trans | -67.1 | 127.5 | -172.6 | -160.3 | 77.9 | 0 | 0 | 0 | 111.6 | L70 E71 L73 L91 L97 M116 R118 L119 | L70-L94 HydrophobicContact CB-CD1 4.46Å; L70-L94 HydrophobicContact CD2-CD1 4Å; L70-L94 HydrophobicContact CG-CD1 4.04Å; L70-L94 WeakPolarHBondContact O-CA 3.35Å; L70-L94 PolarHBondContact O-N 3.01Å; E71-L94 WeakPolarHBondContact O-CD1 3.48Å; L73-L94 HydrophobicContact CB-CD1 3.8Å; L73-L94 HydrophobicContact CB-CD2 4.43Å; L91-L94 HydrophobicContact CB-CB 4.16Å; L91-L94 HydrophobicContact CD1-CD2 4.07Å; L91-L94 PolarHBondContact O-N 3.25Å; L91-L94 VanDerWaalsContact O-N 3.16Å; L94-L97 HydrophobicContact CD2-CB 3.98Å; L94-M116 HydrophobicContact CB-CG 4.43Å; L94-M116 HydrophobicContact CD2-CG 4.12Å; L94-M116 HydrophobicContact CD2-SD 3.49Å; L94-M116 WeakPolarHBondContact CD2-SD 3.3Å; L94-R118 CarbonylContact O-C 3.05Å; L94-L119 HydrophobicContact CD2-CD1 4.07Å; L94-L119 HydrophobicContact CG-CD1 4.32Å; L94-L119 VanDerWaalsContact O-CA 3.25Å; L94-L119 WeakPolarHBondContact O-CA 3.26Å; L94-L119 PolarHBondContact O-N 3.26Å | ||
| 95 | I | 98.4 | Very high | 96.6 | Very high | 58 Ų | 58 | 29.5 Ų | 29.5 | 30% | 0.297 | 16% | 0.16 | S | C | . | . | trans | -106.3 | -40.1 | -179.9 | -64.2 | 172.4 | 0 | 0 | 0 | 109.9 | E71 S93 H120 W121 | E71-I95 HydrophobicContact CB-CD1 4.3Å; E71-I95 HydrophobicContact CG-CD1 4.25Å; E71-I95 PolarHBondContact O-N 2.81Å; S93-I95 PolarHBondContact O-N 3.47Å; I95-H120 HydrophobicContact CG2-CB 4.07Å; I95-H120 PolarHBondContact O-N 3.32Å; I95-W121 PolarHBondContact O-N 2.95Å | ||
| 96 | L | 98.6 | Very high | 96.5 | Very high | 30 Ų | 30 | 37 Ų | 37 | 16% | 0.157 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.2 | 122 | -173.3 | 176.3 | 137 | 0 | 0 | 0 | 111.3 | E71 W72 L73 I74 V98 W121 | E71-L96 PolarHBondContact O-N 3Å; W72-L96 HydrophobicContact CB-CD2 4.17Å; W72-L96 HydrophobicContact CG-CB 4.34Å; W72-L96 HydrophobicContact CG-CD2 4.19Å; L73-L96 PolarHBondContact N-O 3.47Å; I74-L96 HydrophobicContact CD1-CD2 4.13Å; I74-L96 HydrophobicContact CG1-CD2 3.95Å; L96-V98 HydrophobicContact CD2-CG2 3.76Å; L96-V98 HydrophobicContact CG-CG2 4.1Å; L96-W121 HydrophobicContact CB-CB 4.29Å; L96-W121 HydrophobicContact CD1-CB 4.1Å; L96-W121 HydrophobicContact CD1-CD2 4.32Å; L96-W121 HydrophobicContact CD1-CG 3.93Å; L96-W121 HydrophobicContact CG-CB 4.26Å; L96-W121 HydrophobicContact CG-CG 4.37Å |
| 97 | L | 98.4 | Very high | 96.4 | Very high | 0 Ų | 0 | 34.7 Ų | 34.7 | 0% | 0 | 17% | 0.173 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.5 | 116.7 | 173 | 177.8 | 56.3 | 0 | 0 | 0 | 109.6 | L73 F88 L94 L99 M116 L119 W121 L122 D123 | L73-L97 HydrophobicContact CB-CD1 4.14Å; L73-L97 HydrophobicContact CD2-CD1 3.95Å; L73-L97 HydrophobicContact CG-CD1 3.98Å; L73-L97 WeakPolarHBondContact O-CA 3.32Å; F88-L97 HydrophobicContact CD1-CD2 4.44Å; F88-L97 HydrophobicContact CE1-CD1 4.17Å; F88-L97 HydrophobicContact CE1-CD2 3.84Å; F88-L97 HydrophobicContact CZ-CD2 3.91Å; L94-L97 HydrophobicContact CD2-CB 3.98Å; L97-L99 HydrophobicContact CD1-CD1 4.36Å; L97-L99 HydrophobicContact CD1-CD2 4.39Å; L97-L99 HydrophobicContact CD1-CG 4.1Å; L97-L99 HydrophobicContact CD2-CD1 4.08Å; L97-L99 HydrophobicContact CG-CD1 4.11Å; L97-L99 HydrophobicContact CG-CG 4.17Å; L97-M116 HydrophobicContact CD2-CE 4.08Å; L97-M116 HydrophobicContact CD2-SD 3.92Å; L97-L119 HydrophobicContact CB-CD1 3.81Å; L97-W121 PolarHBondContact N-O 3.23Å; L97-L122 HydrophobicContact CB-CD1 4.22Å; L97-L122 HydrophobicContact CD2-CD1 3.97Å; L97-L122 HydrophobicContact CG-CD1 4.08Å; L97-D123 PolarHBondContact O-N 3.46Å |
| 98 | V | 98.5 | Very high | 96.2 | Very high | 15 Ų | 15 | 35.3 Ų | 35.3 | 9% | 0.091 | 18% | 0.177 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.2 | 120.6 | 177.7 | 175.6 | 0 | 0 | 0 | 0 | 110.1 | L73 I74 I75 E76 L96 M100 D123 | L73-V98 PolarHBondContact O-N 3.14Å; I74-V98 HydrophobicContact CB-CB 4.44Å; I74-V98 HydrophobicContact CG1-CB 4.39Å; I74-V98 HydrophobicContact CG2-CB 4.02Å; I74-V98 HydrophobicContact CG2-CG1 4.08Å; I75-V98 PolarHBondContact N-O 2.9Å; E76-V98 HydrophobicContact CB-CG1 4.47Å; L96-V98 HydrophobicContact CD2-CG2 3.76Å; L96-V98 HydrophobicContact CG-CG2 4.1Å; V98-M100 HydrophobicContact CG1-CB 4.13Å; V98-D123 HydrophobicContact CB-CB 4.35Å; V98-D123 HydrophobicContact CG1-CB 4.26Å; V98-D123 HydrophobicContact CG2-CB 4.04Å |
| 99 | L | 97.6 | Very high | 95.7 | Very high | 1 Ų | 1 | 39 Ų | 39 | 1% | 0.005 | 20% | 0.196 | C | C | . | . | trans | -125.2 | 22.8 | 179.9 | -66.8 | 167.6 | 0 | 0 | 0 | 111.5 | I75 L80 I83 L97 N102 L104 D123 L124 N127 | I75-L99 HydrophobicContact CB-CD2 4.19Å; I75-L99 HydrophobicContact CD1-CD2 3.99Å; L80-L99 HydrophobicContact CD1-CD2 3.82Å; I83-L99 HydrophobicContact CD1-CD1 4.17Å; I83-L99 HydrophobicContact CG2-CD1 4.24Å; L97-L99 HydrophobicContact CD1-CD1 4.36Å; L97-L99 HydrophobicContact CD1-CD2 4.39Å; L97-L99 HydrophobicContact CD1-CG 4.1Å; L97-L99 HydrophobicContact CD2-CD1 4.08Å; L97-L99 HydrophobicContact CG-CD1 4.11Å; L97-L99 HydrophobicContact CG-CG 4.17Å; L99-N102 PolarHBondContact O-ND2 3.19Å; L99-L104 HydrophobicContact CB-CD1 4.39Å; L99-L104 HydrophobicContact CD1-CD1 4.41Å; L99-D123 PolarHBondContact N-O 3.48Å; L99-L124 HydrophobicContact CB-CD2 4.07Å; L99-L124 HydrophobicContact CD1-CD2 3.93Å; L99-N127 PolarHBondContact O-ND2 2.83Å | ||
| 100 | M | 97.7 | Very high | 95.4 | Very high | 37 Ų | 37 | 40.3 Ų | 40.3 | 18% | 0.182 | 20% | 0.204 | C | C | . | . | trans | -54.8 | 147.5 | -178.8 | -175.5 | 173.5 | 81.5 | 0 | 0 | 112.3 | E76 D77 V98 N102 E125 | E76-M100 CarbonylContact C-O 3.53Å; E76-M100 VanDerWaalsContact CA-O 3.3Å; E76-M100 WeakPolarHBondContact CA-O 3.34Å; E76-M100 HydrophobicContact CG-CB 4.42Å; E76-M100 HydrophobicContact CG-CE 3.91Å; E76-M100 WeakPolarHBondContact OE1-CE 3.47Å; D77-M100 PolarHBondContact N-O 3.01Å; D77-M100 VanDerWaalsContact N-O 3.08Å; V98-M100 HydrophobicContact CG1-CB 4.13Å; M100-N102 PolarHBondContact O-N 3.15Å; M100-N102 PolarHBondContact O-ND2 3.45Å; M100-N102 VanDerWaalsContact O-ND2 3.11Å; M100-E125 CarbonylContact C-O 3.51Å; M100-E125 VanDerWaalsContact CA-O 3.26Å; M100-E125 WeakPolarHBondContact CA-O 3.48Å; M100-E125 HydrophobicContact CG-CB 3.85Å; M100-E125 HydrophobicContact CG-CG 4.2Å; M100-E125 HydrophobicContact SD-CB 4.1Å; M100-E125 HydrophobicContact SD-CG 4.17Å | ||
| 101 | N | 97.6 | Very high | 95.4 | Very high | 57 Ų | 57 | 41.5 Ų | 41.5 | 31% | 0.305 | 21% | 0.211 | S | C | . | . | S | Bend | trans | 51.1 | 50.2 | 175.8 | -61.7 | -15.4 | 0 | 0 | 0 | 113.3 | D77 N78 E125 | D77-N101 WeakPolarHBondContact CA-O 3.3Å; D77-N101 WeakPolarHBondContact OD1-CB 3.45Å; D77-N101 PolarHBondContact OD1-ND2 3.13Å; N78-N101 PolarHBondContact N-O 3.48Å; N101-E125 PolarHBondContact N-O 3.35Å |
| 102 | N | 97.4 | Very high | 95.3 | Very high | 4 Ų | 4 | 41.6 Ų | 41.6 | 2% | 0.021 | 21% | 0.212 | C | C | . | . | trans | -109.6 | -172.4 | 166.6 | -81.1 | -90.7 | 0 | 0 | 0 | 109.6 | I75 N78 H79 L80 L99 M100 L104 N127 | I75-N102 PolarHBondContact O-ND2 3.15Å; N78-N102 WeakPolarHBondContact CA-OD1 3.25Å; N78-N102 WeakPolarHBondContact CB-OD1 3.42Å; H79-N102 PolarHBondContact N-OD1 3.4Å; L80-N102 HydrophobicContact CB-CB 4.13Å; L80-N102 VanDerWaalsContact CB-OD1 3.25Å; L80-N102 WeakPolarHBondContact CB-OD1 3.46Å; L80-N102 WeakPolarHBondContact CG-OD1 3.5Å; L80-N102 PolarHBondContact N-OD1 2.93Å; L99-N102 PolarHBondContact O-ND2 3.19Å; M100-N102 PolarHBondContact O-N 3.15Å; M100-N102 PolarHBondContact O-ND2 3.45Å; M100-N102 VanDerWaalsContact O-ND2 3.11Å; N102-L104 HydrophobicContact CB-CG 4.29Å; N102-N127 WeakPolarHBondContact CA-OD1 3.35Å; N102-N127 WeakPolarHBondContact CB-OD1 3.42Å; N102-N127 PolarHBondContact O-OD1 3.42Å | ||
| 103 | V | 97 | Very high | 95.2 | Very high | 54 Ų | 54 | 37.6 Ų | 37.6 | 33% | 0.327 | 19% | 0.191 | S | C | . | . | trans | -113.8 | 34.3 | -179.4 | -63.9 | 0 | 0 | 0 | 0 | 111.5 | H79 L80 T105 | H79-V103 WeakPolarHBondContact O-CG2 3.44Å; L80-V103 CarbonylContact O-C 3.53Å; L80-V103 WeakPolarHBondContact O-CA 3.25Å; L80-V103 WeakPolarHBondContact O-CG2 3.45Å; L80-V103 PolarHBondContact O-N 3.46Å; V103-T105 PolarHBondContact O-N 3.04Å | ||
| 104 | L | 96.5 | Very high | 95.1 | Very high | 0 Ų | 0 | 41.6 Ų | 41.6 | 0% | 0 | 21% | 0.206 | C | C | . | . | trans | -65.7 | 116.2 | 179.8 | -60.1 | 174.9 | 0 | 0 | 0 | 109.7 | L80 I83 L99 N102 L124 N127 H128 I129 | L80-L104 HydrophobicContact CB-CD2 4.04Å; L80-L104 WeakPolarHBondContact O-CD2 3.28Å; L80-L104 PolarHBondContact O-N 2.72Å; L80-L104 VanDerWaalsContact O-N 3.12Å; I83-L104 HydrophobicContact CG2-CD1 4.32Å; I83-L104 HydrophobicContact CG2-CD2 3.9Å; L99-L104 HydrophobicContact CB-CD1 4.39Å; L99-L104 HydrophobicContact CD1-CD1 4.41Å; N102-L104 HydrophobicContact CB-CG 4.29Å; L104-L124 HydrophobicContact CD1-CD2 3.91Å; L104-N127 HydrophobicContact CB-CB 4.2Å; L104-N127 WeakPolarHBondContact CB-OD1 3.48Å; L104-N127 WeakPolarHBondContact CG-OD1 3.25Å; L104-N127 PolarHBondContact N-OD1 3.3Å; L104-H128 CarbonylContact O-C 3.48Å; L104-H128 VanDerWaalsContact O-CA 3.26Å; L104-H128 WeakPolarHBondContact O-CA 3.5Å; L104-H128 PolarHBondContact O-N 2.77Å; L104-I129 HydrophobicContact CB-CG1 4.36Å; L104-I129 PolarHBondContact O-N 3Å; L104-I129 VanDerWaalsContact O-N 3.11Å | ||
| 105 | T | 93.7 | Very high | 94.9 | Very high | 67 Ų | 67 | 43.4 Ų | 43.4 | 41% | 0.411 | 21% | 0.214 | S | C | . | . | trans | -90.1 | -21.5 | -179.3 | 50.4 | 0 | 0 | 0 | 0 | 113.6 | V103 H128 H130 | V103-T105 PolarHBondContact O-N 3.04Å; T105-H128 WeakPolarHBondContact CA-O 3.47Å; T105-H128 HydrophobicContact CG2-CB 4.33Å; T105-H130 PolarHBondContact O-N 3.35Å | ||
| 106 | R | 91.9 | Very high | 94.8 | Very high | 160 Ų | 160 | 40.7 Ų | 40.7 | 60% | 0.604 | 20% | 0.201 | S | C | * | . | trans | -157 | 148.9 | -179.6 | 56.6 | -178.9 | 172 | -175 | -3.5 | 111.1 | ||||
| 107 | L | 92.5 | Very high | 94.6 | Very high | 6 Ų | 6 | 42.8 Ų | 42.8 | 3% | 0.031 | 22% | 0.216 | C | C | . | . | trans | -83.3 | 161.3 | 166 | -63.8 | -176.2 | 0 | 0 | 0 | 110.5 | I83 L124 I129 L132 T136 F137 | I83-L107 HydrophobicContact CD1-CD2 4.06Å; L107-L124 HydrophobicContact CD1-CD1 4.05Å; L107-L124 HydrophobicContact CD2-CD1 3.95Å; L107-L124 HydrophobicContact CD2-CD2 4.2Å; L107-I129 HydrophobicContact CD1-CD1 4.47Å; L107-I129 HydrophobicContact CD2-CD1 3.84Å; L107-I129 HydrophobicContact CG-CD1 4.02Å; L107-I129 HydrophobicContact CG-CG2 4.35Å; L107-L132 HydrophobicContact CD1-CD2 3.73Å; L107-T136 HydrophobicContact CB-CG2 3.7Å; L107-T136 HydrophobicContact CD1-CG2 3.88Å; L107-T136 HydrophobicContact CG-CG2 4.43Å; L107-F137 HydrophobicContact CD1-CE1 4.37Å; L107-F137 HydrophobicContact CD1-CZ 3.83Å | ||
| 108 | P | 89.9 | Confident | 94.5 | Very high | 16 Ų | 16 | 49.9 Ų | 49.9 | 10% | 0.104 | 24% | 0.243 | C | C | . | . | trans | -73.3 | 153.9 | -177.7 | 28.3 | -35.1 | 0 | 0 | 0 | 113.5 | P85 K110 L112 T136 | P85-P108 HydrophobicContact CG-CB 4.06Å; P85-P108 HydrophobicContact CG-CG 3.91Å; P108-K110 PolarHBondContact O-N 3.08Å; P108-L112 HydrophobicContact CG-CB 4.47Å; P108-L112 HydrophobicContact CG-CD1 3.96Å; P108-T136 PolarHBondContact O-OG1 3.34Å | ||
| 109 | D | 86.1 | Confident | 94.4 | Very high | 78 Ų | 78 | 49.3 Ų | 49.3 | 42% | 0.417 | 24% | 0.239 | S | C | . | . | S | Bend | trans | -83.6 | 8.8 | -179.6 | -56 | -14.5 | 0 | 0 | 0 | 113 | R133 | D109-R133 WeakPolarHBondContact OD1-CD 3.43Å; D109-R133 IonicContact OD1-CZ 3.38Å; D109-R133 IonicContact OD1-NE 3.54Å; D109-R133 IonicContact OD1-NH1 3.88Å; D109-R133 PolarHBondContact OD1-NH1 3.01Å; D109-R133 IonicContact OD2-CZ 3.48Å; D109-R133 IonicContact OD2-NH1 2.68Å; D109-R133 PolarHBondContact OD2-NH1 3.3Å |
| 110 | K | 90.1 | Very high | 94.5 | Very high | 143 Ų | 143 | 52.4 Ų | 52.4 | 62% | 0.622 | 25% | 0.254 | S | S | * | . | S | Bend | trans | -125.2 | 157.2 | -177.4 | -67.5 | -175.8 | 179 | -172.3 | 0 | 108.2 | P85 P108 L112 | P85-K110 HydrophobicContact CG-CB 4.04Å; P108-K110 PolarHBondContact O-N 3.08Å; K110-L112 PolarHBondContact O-N 3.03Å; K110-L112 VanDerWaalsContact O-N 3.08Å |
| 111 | P | 93.6 | Very high | 94.5 | Very high | 31 Ų | 31 | 55.1 Ų | 55.1 | 20% | 0.201 | 26% | 0.262 | C | S | . | . | trans | -61.1 | 115.9 | -173.5 | -19.7 | 31.6 | 0 | 0 | 0 | 111.4 | Q114 I138 S139 | P111-Q114 HydrophobicContact CB-CB 4.33Å; P111-Q114 PolarHBondContact O-N 3.16Å; P111-I138 HydrophobicContact CB-CG2 3.7Å; P111-I138 HydrophobicContact CG-CG2 3.6Å; P111-S139 WeakPolarHBondContact CB-OG 3.31Å | ||
| 112 | L | 93.9 | Very high | 94.5 | Very high | 1 Ų | 1 | 52.4 Ų | 52.4 | 1% | 0.005 | 25% | 0.247 | C | C | . | . | G | 310 helix | trans | -66 | -43.3 | -171.5 | 177.7 | 59.8 | 0 | 0 | 0 | 111.9 | I83 F88 P108 K110 Q114 M116 L122 T136 | I83-L112 HydrophobicContact CD1-CD1 3.79Å; I83-L112 HydrophobicContact CD1-CD2 4.4Å; I83-L112 HydrophobicContact CG1-CD1 4.44Å; F88-L112 HydrophobicContact CD2-CD1 4.38Å; F88-L112 HydrophobicContact CE2-CD1 3.97Å; P108-L112 HydrophobicContact CG-CB 4.47Å; P108-L112 HydrophobicContact CG-CD1 3.96Å; K110-L112 PolarHBondContact O-N 3.03Å; K110-L112 VanDerWaalsContact O-N 3.08Å; L112-Q114 VanDerWaalsContact C-N 3.3Å; L112-Q114 PolarHBondContact O-N 2.96Å; L112-M116 HydrophobicContact CG-CE 4.47Å; L112-M116 WeakPolarHBondContact O-CE 3.49Å; L112-L122 HydrophobicContact CD2-CD2 3.85Å; L112-T136 HydrophobicContact CB-CG2 4.35Å; L112-T136 WeakPolarHBondContact CB-O 3.14Å; L112-T136 PolarHBondContact N-O 3.24Å |
| 113 | C | 94.6 | Very high | 94.6 | Very high | 2 Ų | 2 | 53.2 Ų | 53.2 | 1% | 0.014 | 25% | 0.251 | C | S | . | . | G | 310 helix | trans | -85.4 | 10.2 | -176.4 | -51.3 | 0 | 0 | 0 | 0 | 114.5 | H115 M116 C140 | C113-H115 PolarHBondContact O-N 3.19Å; C113-H115 VanDerWaalsContact O-N 3.12Å; C113-M116 CarbonylContact O-C 3.15Å; C113-M116 VanDerWaalsContact O-C 3.31Å; C113-M116 PolarHBondContact O-N 2.98Å; C113-C140 HydrophobicContact CB-CB 3.9Å; C113-C140 WeakPolarHBondContact CB-SG 3.16Å; C113-C140 VanDerWaalsContact SG-CA 3.59Å; C113-C140 WeakPolarHBondContact SG-CB 3.48Å; C113-C140 CovalentContact SG-SG 2.04Å; C113-C140 PolarHBondContact SG-SG 2.96Å |
| 114 | Q | 93.8 | Very high | 94.6 | Very high | 114 Ų | 114 | 50.6 Ų | 50.6 | 53% | 0.533 | 24% | 0.236 | S | C | . | . | G | 310 helix | trans | -55.3 | -33.2 | -177.9 | -176.8 | 173.9 | -2.5 | 0 | 0 | 113.5 | P111 L112 | P111-Q114 HydrophobicContact CB-CB 4.33Å; P111-Q114 PolarHBondContact O-N 3.16Å; L112-Q114 VanDerWaalsContact C-N 3.3Å; L112-Q114 PolarHBondContact O-N 2.96Å |
| 115 | H | 95 | Very high | 94.7 | Very high | 38 Ų | 38 | 52 Ų | 52 | 18% | 0.176 | 24% | 0.242 | C | C | . | . | G | 310 helix | trans | -106 | 9.7 | 177.7 | -57.5 | -60 | 0 | 0 | 0 | 113.5 | P85 F88 Y89 L91 C113 | P85-H115 PolarHBondContact O-CD2 2.98Å; F88-H115 VanDerWaalsContact O-CB 3.27Å; F88-H115 WeakPolarHBondContact O-CB 3.25Å; Y89-H115 AromaticContact CD2-CE1 3.62Å; Y89-H115 AromaticContact CD2-ND1 3.62Å; L91-H115 CarbonylContact C-O 3.29Å; C113-H115 PolarHBondContact O-N 3.19Å; C113-H115 VanDerWaalsContact O-N 3.12Å |
| 116 | M | 96 | Very high | 94.8 | Very high | 1 Ų | 1 | 49.6 Ų | 49.6 | 1% | 0.005 | 23% | 0.231 | C | C | . | . | trans | -134.9 | 59 | 179.8 | -60.5 | 176 | -68.5 | 0 | 0 | 110 | F88 L91 L94 L97 L112 C113 R118 L119 | F88-M116 HydrophobicContact CB-CE 3.93Å; F88-M116 HydrophobicContact CB-CG 3.92Å; F88-M116 HydrophobicContact CB-SD 3.68Å; F88-M116 HydrophobicContact CD1-CE 4.29Å; F88-M116 HydrophobicContact CD1-SD 3.84Å; F88-M116 HydrophobicContact CD2-CE 3.63Å; F88-M116 HydrophobicContact CD2-SD 4.23Å; F88-M116 HydrophobicContact CE2-CE 4.2Å; F88-M116 HydrophobicContact CG-CE 3.69Å; F88-M116 HydrophobicContact CG-SD 3.65Å; L91-M116 HydrophobicContact CB-CG 3.96Å; L91-M116 HydrophobicContact CD1-SD 4.46Å; L94-M116 HydrophobicContact CB-CG 4.43Å; L94-M116 HydrophobicContact CD2-CG 4.12Å; L94-M116 HydrophobicContact CD2-SD 3.49Å; L94-M116 WeakPolarHBondContact CD2-SD 3.3Å; L97-M116 HydrophobicContact CD2-CE 4.08Å; L97-M116 HydrophobicContact CD2-SD 3.92Å; L112-M116 HydrophobicContact CG-CE 4.47Å; L112-M116 WeakPolarHBondContact O-CE 3.49Å; C113-M116 CarbonylContact O-C 3.15Å; C113-M116 VanDerWaalsContact O-C 3.31Å; C113-M116 PolarHBondContact O-N 2.98Å; M116-R118 PolarHBondContact O-N 3.3Å; M116-R118 VanDerWaalsContact O-N 3.08Å; M116-L119 HydrophobicContact CB-CB 4.23Å; M116-L119 HydrophobicContact CE-CD2 4.5Å; M116-L119 WeakPolarHBondContact O-CB 3.41Å; M116-L119 PolarHBondContact O-N 2.93Å; M116-L119 VanDerWaalsContact O-N 3.14Å | ||
| 117 | P | 94.2 | Very high | 95.1 | Very high | 74 Ų | 74 | 42 Ų | 42 | 48% | 0.481 | 20% | 0.203 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -67 | -13.1 | -170.3 | 29 | -37.3 | 0 | 0 | 0 | 114.2 | ||
| 118 | R | 96.4 | Very high | 95.3 | Very high | 148 Ų | 148 | 45 Ų | 45 | 56% | 0.558 | 22% | 0.216 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -100.4 | 3.6 | 178.7 | -71.3 | -175 | 170.9 | -178.1 | -3 | 114.2 | L94 M116 H120 | L94-R118 CarbonylContact O-C 3.05Å; M116-R118 PolarHBondContact O-N 3.3Å; M116-R118 VanDerWaalsContact O-N 3.08Å; R118-H120 PolarHBondContact O-CD2 3.02Å; R118-H120 PolarHBondContact O-N 3.36Å |
| 119 | L | 97.7 | Very high | 95.6 | Very high | 4 Ų | 4 | 44.2 Ų | 44.2 | 2% | 0.021 | 21% | 0.211 | C | C | . | . | trans | -61.2 | 123.7 | -175.1 | -167.4 | 70.3 | 0 | 0 | 0 | 111.2 | L94 L97 M116 W121 L122 N142 L143 | L94-L119 HydrophobicContact CD2-CD1 4.07Å; L94-L119 HydrophobicContact CG-CD1 4.32Å; L94-L119 VanDerWaalsContact O-CA 3.25Å; L94-L119 WeakPolarHBondContact O-CA 3.26Å; L94-L119 PolarHBondContact O-N 3.26Å; L97-L119 HydrophobicContact CB-CD1 3.81Å; M116-L119 HydrophobicContact CB-CB 4.23Å; M116-L119 HydrophobicContact CE-CD2 4.5Å; M116-L119 WeakPolarHBondContact O-CB 3.41Å; M116-L119 PolarHBondContact O-N 2.93Å; M116-L119 VanDerWaalsContact O-N 3.14Å; L119-W121 WeakPolarHBondContact CD1-O 3.26Å; L119-L122 HydrophobicContact CD2-CB 4.19Å; L119-N142 CarbonylContact O-C 3.14Å; L119-L143 HydrophobicContact CD2-CD1 4.1Å; L119-L143 HydrophobicContact CG-CD1 3.99Å; L119-L143 WeakPolarHBondContact O-CA 3.27Å; L119-L143 PolarHBondContact O-N 3.19Å | ||
| 120 | H | 98.1 | Very high | 95.9 | Very high | 66 Ų | 66 | 44.4 Ų | 44.4 | 31% | 0.306 | 21% | 0.21 | S | C | . | . | trans | -107.6 | -38.8 | 177.3 | -66.7 | 158.9 | 0 | 0 | 0 | 111.6 | I95 R118 N142 L143 T144 V145 | I95-H120 HydrophobicContact CG2-CB 4.07Å; I95-H120 PolarHBondContact O-N 3.32Å; R118-H120 PolarHBondContact O-CD2 3.02Å; R118-H120 PolarHBondContact O-N 3.36Å; H120-N142 PolarHBondContact CD2-O 3.45Å; H120-N142 VanDerWaalsContact CD2-O 3.29Å; H120-N142 PolarHBondContact NE2-ND2 3.27Å; H120-L143 WeakPolarHBondContact O-CD1 3.4Å; H120-T144 PolarHBondContact O-N 3.41Å; H120-T144 PolarHBondContact O-OG1 2.78Å; H120-T144 VanDerWaalsContact O-OG1 3.13Å; H120-V145 PolarHBondContact O-N 3.47Å | ||
| 121 | W | 98.6 | Very high | 95.7 | Very high | 93 Ų | 93 | 41.9 Ų | 41.9 | 35% | 0.352 | 20% | 0.203 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.9 | 122.2 | -177.3 | -168.2 | -63.7 | 0 | 0 | 0 | 111.1 | I95 L96 L97 L119 V145 | I95-W121 PolarHBondContact O-N 2.95Å; L96-W121 HydrophobicContact CB-CB 4.29Å; L96-W121 HydrophobicContact CD1-CB 4.1Å; L96-W121 HydrophobicContact CD1-CD2 4.32Å; L96-W121 HydrophobicContact CD1-CG 3.93Å; L96-W121 HydrophobicContact CG-CB 4.26Å; L96-W121 HydrophobicContact CG-CG 4.37Å; L97-W121 PolarHBondContact N-O 3.23Å; L119-W121 WeakPolarHBondContact CD1-O 3.26Å; W121-V145 HydrophobicContact CD2-CB 3.85Å; W121-V145 HydrophobicContact CD2-CG1 3.78Å; W121-V145 HydrophobicContact CD2-CG2 4.29Å; W121-V145 HydrophobicContact CE3-CB 3.74Å; W121-V145 HydrophobicContact CE3-CG1 3.88Å; W121-V145 HydrophobicContact CE3-CG2 3.65Å; W121-V145 HydrophobicContact CG-CB 4.24Å; W121-V145 HydrophobicContact CG-CG1 4.4Å; W121-V145 HydrophobicContact CH2-CG1 4Å; W121-V145 HydrophobicContact CZ2-CG1 3.91Å; W121-V145 HydrophobicContact CZ3-CB 4.19Å; W121-V145 HydrophobicContact CZ3-CG1 3.98Å; W121-V145 HydrophobicContact CZ3-CG2 3.82Å |
| 122 | L | 98.2 | Very high | 95.4 | Very high | 0 Ų | 0 | 40.7 Ų | 40.7 | 0% | 0 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.6 | 114.9 | 171.8 | 177.9 | 57.4 | 0 | 0 | 0 | 109.9 | L97 L112 L119 L124 F137 L143 V145 L146 V147 | L97-L122 HydrophobicContact CB-CD1 4.22Å; L97-L122 HydrophobicContact CD2-CD1 3.97Å; L97-L122 HydrophobicContact CG-CD1 4.08Å; L112-L122 HydrophobicContact CD2-CD2 3.85Å; L119-L122 HydrophobicContact CD2-CB 4.19Å; L122-L124 HydrophobicContact CD1-CD1 4.47Å; L122-L124 HydrophobicContact CD1-CG 4.21Å; L122-L124 HydrophobicContact CD2-CD1 4.08Å; L122-L124 HydrophobicContact CG-CD1 4.1Å; L122-L124 HydrophobicContact CG-CG 4.2Å; L122-F137 HydrophobicContact CD2-CE1 4.26Å; L122-L143 HydrophobicContact CB-CD1 3.81Å; L122-L143 HydrophobicContact CB-CD2 4.34Å; L122-V145 PolarHBondContact N-O 3.08Å; L122-L146 HydrophobicContact CB-CD1 4.19Å; L122-L146 HydrophobicContact CD2-CD1 4.01Å; L122-L146 HydrophobicContact CG-CD1 4.11Å; L122-V147 PolarHBondContact O-N 2.85Å |
| 123 | D | 98.4 | Very high | 95 | Very high | 21 Ų | 21 | 46.4 Ų | 46.4 | 11% | 0.112 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.2 | 122.3 | 177.2 | -163.8 | -31.3 | 0 | 0 | 0 | 111.3 | L97 V98 L99 E125 | L97-D123 PolarHBondContact O-N 3.46Å; V98-D123 HydrophobicContact CB-CB 4.35Å; V98-D123 HydrophobicContact CG1-CB 4.26Å; V98-D123 HydrophobicContact CG2-CB 4.04Å; L99-D123 PolarHBondContact N-O 3.48Å; D123-E125 WeakPolarHBondContact OD1-CB 3.38Å; D123-E125 PolarHBondContact OD1-N 3.25Å |
| 124 | L | 97.7 | Very high | 94.2 | Very high | 0 Ų | 0 | 49.7 Ų | 49.7 | 0% | 0 | 23% | 0.233 | C | C | . | . | trans | -127.3 | 19.8 | 179 | -65.2 | 162.8 | 0 | 0 | 0 | 111.2 | L99 L104 L107 L122 N127 I129 V147 M148 N151 | L99-L124 HydrophobicContact CB-CD2 4.07Å; L99-L124 HydrophobicContact CD1-CD2 3.93Å; L104-L124 HydrophobicContact CD1-CD2 3.91Å; L107-L124 HydrophobicContact CD1-CD1 4.05Å; L107-L124 HydrophobicContact CD2-CD1 3.95Å; L107-L124 HydrophobicContact CD2-CD2 4.2Å; L122-L124 HydrophobicContact CD1-CD1 4.47Å; L122-L124 HydrophobicContact CD1-CG 4.21Å; L122-L124 HydrophobicContact CD2-CD1 4.08Å; L122-L124 HydrophobicContact CG-CD1 4.1Å; L122-L124 HydrophobicContact CG-CG 4.2Å; L124-N127 PolarHBondContact O-ND2 3.38Å; L124-N127 VanDerWaalsContact O-ND2 3.12Å; L124-I129 HydrophobicContact CB-CD1 4.13Å; L124-I129 HydrophobicContact CD1-CD1 4.18Å; L124-I129 HydrophobicContact CD2-CD1 4.38Å; L124-I129 HydrophobicContact CG-CD1 4.48Å; L124-V147 PolarHBondContact N-O 2.89Å; L124-M148 HydrophobicContact CB-CG 4.25Å; L124-M148 HydrophobicContact CD1-CG 4.09Å; L124-M148 HydrophobicContact CD1-SD 4.26Å; L124-N151 PolarHBondContact O-ND2 2.93Å | ||
| 125 | E | 97.9 | Very high | 93.8 | Very high | 28 Ų | 28 | 49 Ų | 49 | 13% | 0.131 | 23% | 0.233 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -54.8 | 147.1 | -179 | 174.5 | 166.2 | 156.2 | 0 | 0 | 112.1 | M100 N101 D123 N127 V147 R149 K150 | M100-E125 CarbonylContact C-O 3.51Å; M100-E125 VanDerWaalsContact CA-O 3.26Å; M100-E125 WeakPolarHBondContact CA-O 3.48Å; M100-E125 HydrophobicContact CG-CB 3.85Å; M100-E125 HydrophobicContact CG-CG 4.2Å; M100-E125 HydrophobicContact SD-CB 4.1Å; M100-E125 HydrophobicContact SD-CG 4.17Å; N101-E125 PolarHBondContact N-O 3.35Å; D123-E125 WeakPolarHBondContact OD1-CB 3.38Å; D123-E125 PolarHBondContact OD1-N 3.25Å; E125-N127 VanDerWaalsContact C-N 3.27Å; E125-N127 PolarHBondContact O-N 3.31Å; E125-N127 PolarHBondContact O-ND2 3.08Å; E125-N127 VanDerWaalsContact O-ND2 3.09Å; E125-V147 HydrophobicContact CB-CG1 4.01Å; E125-R149 VanDerWaalsContact CA-O 3.31Å; E125-R149 WeakPolarHBondContact CA-O 3.5Å; E125-R149 HydrophobicContact CG-CB 4.19Å; E125-K150 HydrophobicContact CG-CB 4.41Å; E125-K150 HydrophobicContact CG-CD 4.23Å; E125-K150 WeakPolarHBondContact OE1-CD 3.47Å; E125-K150 WeakPolarHBondContact OE1-CE 3.48Å; E125-K150 IonicContact OE1-NZ 2.71Å; E125-K150 PolarHBondContact OE1-NZ 2.95Å |
| 126 | G | 97.3 | Very high | 93.6 | Very high | 18 Ų | 18 | 47.2 Ų | 47.2 | 19% | 0.186 | 23% | 0.225 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 71.5 | 19.1 | 167.8 | 0 | 0 | 0 | 0 | 0 | 114.8 | R149 K150 | G126-R149 PolarHBondContact N-O 3.32Å; G126-K150 WeakPolarHBondContact CA-O 3.49Å |
| 127 | N | 97.9 | Very high | 93.4 | Very high | 1 Ų | 1 | 47.2 Ų | 47.2 | 1% | 0.005 | 23% | 0.225 | C | C | . | . | trans | -93.3 | -165.9 | 177.2 | -83.2 | -88.4 | 0 | 0 | 0 | 111.6 | L99 N102 L104 L124 E125 I129 N151 | L99-N127 PolarHBondContact O-ND2 2.83Å; N102-N127 WeakPolarHBondContact CA-OD1 3.35Å; N102-N127 WeakPolarHBondContact CB-OD1 3.42Å; N102-N127 PolarHBondContact O-OD1 3.42Å; L104-N127 HydrophobicContact CB-CB 4.2Å; L104-N127 WeakPolarHBondContact CB-OD1 3.48Å; L104-N127 WeakPolarHBondContact CG-OD1 3.25Å; L104-N127 PolarHBondContact N-OD1 3.3Å; L124-N127 PolarHBondContact O-ND2 3.38Å; L124-N127 VanDerWaalsContact O-ND2 3.12Å; E125-N127 VanDerWaalsContact C-N 3.27Å; E125-N127 PolarHBondContact O-N 3.31Å; E125-N127 PolarHBondContact O-ND2 3.08Å; E125-N127 VanDerWaalsContact O-ND2 3.09Å; N127-I129 HydrophobicContact CB-CD1 4.36Å; N127-I129 HydrophobicContact CB-CG1 4.27Å; N127-N151 WeakPolarHBondContact CA-OD1 3.16Å; N127-N151 WeakPolarHBondContact CB-OD1 3.43Å; N127-N151 PolarHBondContact O-OD1 3.11Å | ||
| 128 | H | 96.6 | Very high | 93.3 | Very high | 67 Ų | 67 | 48 Ų | 48 | 31% | 0.31 | 22% | 0.224 | S | C | . | . | trans | -123 | 29.8 | -178.2 | -66.2 | -9.7 | 0 | 0 | 0 | 112 | L104 T105 H130 N151 K152 | L104-H128 CarbonylContact O-C 3.48Å; L104-H128 VanDerWaalsContact O-CA 3.26Å; L104-H128 WeakPolarHBondContact O-CA 3.5Å; L104-H128 PolarHBondContact O-N 2.77Å; T105-H128 WeakPolarHBondContact CA-O 3.47Å; T105-H128 HydrophobicContact CG2-CB 4.33Å; H128-H130 PolarHBondContact O-CD2 2.84Å; H128-H130 PolarHBondContact O-N 3.4Å; H128-H130 PolarHBondContact O-NE2 2.96Å; H128-N151 PolarHBondContact N-OD1 3.18Å; H128-K152 HydrophobicContact CB-CD 4.2Å; H128-K152 VanDerWaalsContact CG-NZ 3.35Å; H128-K152 PolarHBondContact ND1-NZ 3.15Å | ||
| 129 | I | 96 | Very high | 93.2 | Very high | 0 Ų | 0 | 43.1 Ų | 43.1 | 0% | 0 | 21% | 0.212 | C | C | . | . | trans | -68.2 | 124.3 | -175 | -59.6 | 165.9 | 0 | 0 | 0 | 109.2 | L104 L107 L124 N127 L132 N151 K152 I153 | L104-I129 HydrophobicContact CB-CG1 4.36Å; L104-I129 PolarHBondContact O-N 3Å; L104-I129 VanDerWaalsContact O-N 3.11Å; L107-I129 HydrophobicContact CD1-CD1 4.47Å; L107-I129 HydrophobicContact CD2-CD1 3.84Å; L107-I129 HydrophobicContact CG-CD1 4.02Å; L107-I129 HydrophobicContact CG-CG2 4.35Å; L124-I129 HydrophobicContact CB-CD1 4.13Å; L124-I129 HydrophobicContact CD1-CD1 4.18Å; L124-I129 HydrophobicContact CD2-CD1 4.38Å; L124-I129 HydrophobicContact CG-CD1 4.48Å; N127-I129 HydrophobicContact CB-CD1 4.36Å; N127-I129 HydrophobicContact CB-CG1 4.27Å; I129-L132 HydrophobicContact CG2-CD2 4.03Å; I129-N151 HydrophobicContact CB-CB 4.38Å; I129-N151 VanDerWaalsContact CB-OD1 3.31Å; I129-N151 WeakPolarHBondContact CB-OD1 3.3Å; I129-N151 WeakPolarHBondContact CG1-OD1 3.35Å; I129-N151 PolarHBondContact N-OD1 2.82Å; I129-K152 CarbonylContact O-C 3.41Å; I129-K152 WeakPolarHBondContact O-CA 3.32Å; I129-K152 PolarHBondContact O-N 3.39Å; I129-I153 HydrophobicContact CG2-CG1 4.37Å; I129-I153 WeakPolarHBondContact O-CG1 3.25Å; I129-I153 PolarHBondContact O-N 3.23Å; I129-I153 VanDerWaalsContact O-N 3.09Å | ||
| 130 | H | 92.3 | Very high | 93 | Very high | 83 Ų | 83 | 43 Ų | 43 | 38% | 0.384 | 21% | 0.212 | S | C | . | . | trans | -97.5 | -46.4 | -178.8 | -72.2 | -79.4 | 0 | 0 | 0 | 113.9 | T105 H128 I153 N154 | T105-H130 PolarHBondContact O-N 3.35Å; H128-H130 PolarHBondContact O-CD2 2.84Å; H128-H130 PolarHBondContact O-N 3.4Å; H128-H130 PolarHBondContact O-NE2 2.96Å; H130-I153 WeakPolarHBondContact O-CA 3.38Å; H130-N154 PolarHBondContact O-N 3.14Å; H130-N154 PolarHBondContact O-OD1 3.26Å | ||
| 131 | N | 85.1 | Confident | 92.8 | Very high | 90 Ų | 90 | 43.5 Ų | 43.5 | 48% | 0.481 | 22% | 0.223 | S | C | . | . | B | Isolated β-bridge | trans | -129.1 | 139.5 | -173.2 | -67.9 | -17.5 | 0 | 0 | 0 | 110.4 | N154 | N131-N154 PolarHBondContact OD1-OD1 2.87Å |
| 132 | L | 88.6 | Confident | 92.6 | Very high | 5 Ų | 5 | 41 Ų | 41 | 3% | 0.026 | 22% | 0.216 | C | C | . | . | trans | -102.6 | 133.7 | 169.2 | -58.7 | 178.8 | 0 | 0 | 0 | 109.3 | L107 I129 F137 M148 I153 L156 T160 F161 | L107-L132 HydrophobicContact CD1-CD2 3.73Å; I129-L132 HydrophobicContact CG2-CD2 4.03Å; L132-F137 HydrophobicContact CD1-CE2 4.37Å; L132-F137 HydrophobicContact CD2-CE2 4.32Å; L132-M148 HydrophobicContact CD1-CE 3.61Å; L132-M148 HydrophobicContact CD1-SD 4.16Å; L132-M148 HydrophobicContact CD2-SD 3.99Å; L132-I153 HydrophobicContact CD1-CD1 4.22Å; L132-I153 HydrophobicContact CG-CD1 4.41Å; L132-L156 HydrophobicContact CD1-CD2 3.75Å; L132-T160 HydrophobicContact CB-CG2 3.71Å; L132-T160 HydrophobicContact CD1-CG2 3.85Å; L132-T160 HydrophobicContact CG-CG2 4.45Å; L132-F161 HydrophobicContact CD1-CE1 4.18Å; L132-F161 HydrophobicContact CD1-CZ 4.16Å | ||
| 133 | R | 84.5 | Confident | 92.6 | Very high | 122 Ų | 122 | 41 Ų | 41 | 46% | 0.46 | 22% | 0.216 | S | C | . | . | trans | -105.7 | 142.1 | 179.2 | -78.5 | 168.4 | 158.6 | 163.1 | -13.3 | 109.9 | D109 L135 T136 | D109-R133 WeakPolarHBondContact OD1-CD 3.43Å; D109-R133 IonicContact OD1-CZ 3.38Å; D109-R133 IonicContact OD1-NE 3.54Å; D109-R133 IonicContact OD1-NH1 3.88Å; D109-R133 PolarHBondContact OD1-NH1 3.01Å; D109-R133 IonicContact OD2-CZ 3.48Å; D109-R133 IonicContact OD2-NH1 2.68Å; D109-R133 PolarHBondContact OD2-NH1 3.3Å; R133-L135 PolarHBondContact O-N 3.33Å; R133-T136 WeakPolarHBondContact O-CB 3.4Å; R133-T136 PolarHBondContact O-N 2.95Å; R133-T136 PolarHBondContact O-OG1 3.16Å | ||
| 134 | N | 78 | Confident | 92.6 | Very high | 70 Ų | 70 | 42.1 Ų | 42.1 | 37% | 0.374 | 22% | 0.224 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -57.3 | -28.4 | -171.5 | -55.6 | 6.9 | 0 | 0 | 0 | 113.3 | N157 | N134-N157 VanDerWaalsContact OD1-CB 3.3Å; N134-N157 WeakPolarHBondContact OD1-CB 3.38Å; N134-N157 PolarHBondContact OD1-ND2 2.92Å |
| 135 | L | 85.8 | Confident | 92.6 | Very high | 101 Ų | 101 | 42.6 Ų | 42.6 | 53% | 0.529 | 23% | 0.227 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -82.5 | -14.5 | -179 | -62.5 | 176.3 | 0 | 0 | 0 | 114.2 | R133 F137 I138 | R133-L135 PolarHBondContact O-N 3.33Å; L135-F137 PolarHBondContact O-N 3.12Å; L135-I138 HydrophobicContact CD2-CD1 4.32Å; L135-I138 WeakPolarHBondContact O-CG2 3.43Å |
| 136 | T | 89.8 | Confident | 92.6 | Very high | 0 Ų | 0 | 41.3 Ų | 41.3 | 0% | 0 | 22% | 0.221 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -62.5 | -42 | -172.8 | -60.7 | 0 | 0 | 0 | 0 | 112 | L107 P108 L112 R133 | L107-T136 HydrophobicContact CB-CG2 3.7Å; L107-T136 HydrophobicContact CD1-CG2 3.88Å; L107-T136 HydrophobicContact CG-CG2 4.43Å; P108-T136 PolarHBondContact O-OG1 3.34Å; L112-T136 HydrophobicContact CB-CG2 4.35Å; L112-T136 WeakPolarHBondContact CB-O 3.14Å; L112-T136 PolarHBondContact N-O 3.24Å; R133-T136 WeakPolarHBondContact O-CB 3.4Å; R133-T136 PolarHBondContact O-N 2.95Å; R133-T136 PolarHBondContact O-OG1 3.16Å |
| 137 | F | 93.6 | Very high | 92.7 | Very high | 0 Ų | 0 | 40.9 Ų | 40.9 | 0% | 0 | 22% | 0.215 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -99 | 3.7 | -174.4 | -61.8 | -60.3 | 0 | 0 | 0 | 114.9 | L107 L122 L132 L135 S139 C140 L146 M148 T160 P163 L164 | L107-F137 HydrophobicContact CD1-CE1 4.37Å; L107-F137 HydrophobicContact CD1-CZ 3.83Å; L122-F137 HydrophobicContact CD2-CE1 4.26Å; L132-F137 HydrophobicContact CD1-CE2 4.37Å; L132-F137 HydrophobicContact CD2-CE2 4.32Å; L135-F137 PolarHBondContact O-N 3.12Å; F137-S139 PolarHBondContact O-N 3.25Å; F137-S139 VanDerWaalsContact O-N 3.08Å; F137-C140 HydrophobicContact CB-CB 4.47Å; F137-C140 WeakPolarHBondContact O-CB 3.43Å; F137-C140 PolarHBondContact O-N 3.35Å; F137-L146 HydrophobicContact CE1-CD1 4.34Å; F137-L146 HydrophobicContact CE1-CD2 4.21Å; F137-L146 HydrophobicContact CE2-CD2 4.43Å; F137-L146 HydrophobicContact CZ-CD1 4.47Å; F137-L146 HydrophobicContact CZ-CD2 4.01Å; F137-M148 HydrophobicContact CZ-CE 4.48Å; F137-M148 HydrophobicContact CZ-SD 4.02Å; F137-T160 HydrophobicContact CD2-CG2 4.4Å; F137-T160 HydrophobicContact CE2-CG2 4.42Å; F137-P163 WeakPolarHBondContact O-CB 3.36Å; F137-L164 HydrophobicContact CB-CD2 4.04Å; F137-L164 HydrophobicContact CB-CG 4.37Å; F137-L164 HydrophobicContact CG-CD1 4.46Å |
| 138 | I | 92.2 | Very high | 92.6 | Very high | 91 Ų | 91 | 40.9 Ų | 40.9 | 47% | 0.467 | 22% | 0.215 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -61 | -25.5 | -170 | -160.6 | 168.8 | 0 | 0 | 0 | 114.7 | P111 L135 P163 | P111-I138 HydrophobicContact CB-CG2 3.7Å; P111-I138 HydrophobicContact CG-CG2 3.6Å; L135-I138 HydrophobicContact CD2-CD1 4.32Å; L135-I138 WeakPolarHBondContact O-CG2 3.43Å; I138-P163 HydrophobicContact CB-CG 4.47Å |
| 139 | S | 93 | Very high | 92.6 | Very high | 45 Ų | 45 | 41 Ų | 41 | 32% | 0.315 | 21% | 0.213 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -99.8 | 6.1 | 174.9 | -57.7 | 0 | 0 | 0 | 0 | 114.2 | P111 F137 S141 | P111-S139 WeakPolarHBondContact CB-OG 3.31Å; F137-S139 PolarHBondContact O-N 3.25Å; F137-S139 VanDerWaalsContact O-N 3.08Å; S139-S141 VanDerWaalsContact C-N 3.31Å; S139-S141 PolarHBondContact O-N 3.26Å |
| 140 | C | 94.4 | Very high | 92.6 | Very high | 3 Ų | 3 | 45.9 Ų | 45.9 | 2% | 0.02 | 23% | 0.234 | C | C | . | . | trans | -94.3 | 35.4 | -175.4 | -57 | 0 | 0 | 0 | 0 | 112.5 | C113 F137 N142 L143 L164 | C113-C140 HydrophobicContact CB-CB 3.9Å; C113-C140 WeakPolarHBondContact CB-SG 3.16Å; C113-C140 VanDerWaalsContact SG-CA 3.59Å; C113-C140 WeakPolarHBondContact SG-CB 3.48Å; C113-C140 CovalentContact SG-SG 2.04Å; C113-C140 PolarHBondContact SG-SG 2.96Å; F137-C140 HydrophobicContact CB-CB 4.47Å; F137-C140 WeakPolarHBondContact O-CB 3.43Å; F137-C140 PolarHBondContact O-N 3.35Å; C140-N142 PolarHBondContact O-N 3.18Å; C140-N142 VanDerWaalsContact O-N 3.12Å; C140-L143 HydrophobicContact CB-CB 4.41Å; C140-L143 VanDerWaalsContact O-CB 3.28Å; C140-L143 WeakPolarHBondContact O-CB 3.47Å; C140-L143 PolarHBondContact O-N 3.28Å; C140-L143 VanDerWaalsContact O-N 3.11Å; C140-L164 HydrophobicContact CB-CD2 3.76Å; C140-L164 WeakPolarHBondContact O-CD2 3.38Å | ||
| 141 | S | 92.7 | Very high | 92.8 | Very high | 75 Ų | 75 | 42.3 Ų | 42.3 | 52% | 0.524 | 22% | 0.218 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -67.2 | -12.5 | -171.4 | 57.1 | 0 | 0 | 0 | 0 | 115.4 | S139 | S139-S141 VanDerWaalsContact C-N 3.31Å; S139-S141 PolarHBondContact O-N 3.26Å |
| 142 | N | 95.9 | Very high | 93.3 | Very high | 40 Ų | 40 | 41.5 Ų | 41.5 | 21% | 0.214 | 21% | 0.21 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -96.4 | -5.7 | 176.4 | -137.5 | 35.9 | 0 | 0 | 0 | 113.6 | L119 H120 C140 T144 K166 | L119-N142 CarbonylContact O-C 3.14Å; H120-N142 PolarHBondContact CD2-O 3.45Å; H120-N142 VanDerWaalsContact CD2-O 3.29Å; H120-N142 PolarHBondContact NE2-ND2 3.27Å; C140-N142 PolarHBondContact O-N 3.18Å; C140-N142 VanDerWaalsContact O-N 3.12Å; N142-T144 PolarHBondContact O-N 3.26Å; N142-K166 PolarHBondContact OD1-NZ 3.5Å |
| 143 | L | 97.6 | Very high | 93.7 | Very high | 0 Ų | 0 | 41.2 Ų | 41.2 | 0% | 0 | 21% | 0.208 | C | C | . | . | trans | -65.9 | 130 | -173.4 | -163.1 | 76.2 | 0 | 0 | 0 | 111.1 | L119 H120 L122 C140 L146 L164 K166 L167 | L119-L143 HydrophobicContact CD2-CD1 4.1Å; L119-L143 HydrophobicContact CG-CD1 3.99Å; L119-L143 WeakPolarHBondContact O-CA 3.27Å; L119-L143 PolarHBondContact O-N 3.19Å; H120-L143 WeakPolarHBondContact O-CD1 3.4Å; L122-L143 HydrophobicContact CB-CD1 3.81Å; L122-L143 HydrophobicContact CB-CD2 4.34Å; C140-L143 HydrophobicContact CB-CB 4.41Å; C140-L143 VanDerWaalsContact O-CB 3.28Å; C140-L143 WeakPolarHBondContact O-CB 3.47Å; C140-L143 PolarHBondContact O-N 3.28Å; C140-L143 VanDerWaalsContact O-N 3.11Å; L143-L146 HydrophobicContact CD2-CB 3.91Å; L143-L146 HydrophobicContact CD2-CD1 4.25Å; L143-L146 HydrophobicContact CD2-CD2 4.43Å; L143-L146 HydrophobicContact CD2-CG 4.42Å; L143-L164 HydrophobicContact CB-CD2 4.18Å; L143-L164 HydrophobicContact CD2-CD2 4.1Å; L143-K166 CarbonylContact O-C 3.23Å; L143-L167 HydrophobicContact CD2-CD1 4.23Å; L143-L167 HydrophobicContact CG-CD1 4.31Å; L143-L167 WeakPolarHBondContact O-CA 3.36Å; L143-L167 PolarHBondContact O-N 3.04Å | ||
| 144 | T | 97.9 | Very high | 94 | Very high | 46 Ų | 46 | 37.6 Ų | 37.6 | 28% | 0.282 | 20% | 0.198 | S | C | . | . | trans | -109.1 | -29.3 | 179.7 | 59.2 | 0 | 0 | 0 | 0 | 112.3 | H120 N142 D168 E169 | H120-T144 PolarHBondContact O-N 3.41Å; H120-T144 PolarHBondContact O-OG1 2.78Å; H120-T144 VanDerWaalsContact O-OG1 3.13Å; N142-T144 PolarHBondContact O-N 3.26Å; T144-D168 PolarHBondContact O-N 3.33Å; T144-E169 PolarHBondContact O-N 3.01Å | ||
| 145 | V | 98.4 | Very high | 94.6 | Very high | 10 Ų | 10 | 39.4 Ų | 39.4 | 6% | 0.061 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130 | 126 | 179.3 | -178.2 | 0 | 0 | 0 | 0 | 110.4 | H120 W121 L122 V147 E169 | H120-V145 PolarHBondContact O-N 3.47Å; W121-V145 HydrophobicContact CD2-CB 3.85Å; W121-V145 HydrophobicContact CD2-CG1 3.78Å; W121-V145 HydrophobicContact CD2-CG2 4.29Å; W121-V145 HydrophobicContact CE3-CB 3.74Å; W121-V145 HydrophobicContact CE3-CG1 3.88Å; W121-V145 HydrophobicContact CE3-CG2 3.65Å; W121-V145 HydrophobicContact CG-CB 4.24Å; W121-V145 HydrophobicContact CG-CG1 4.4Å; W121-V145 HydrophobicContact CH2-CG1 4Å; W121-V145 HydrophobicContact CZ2-CG1 3.91Å; W121-V145 HydrophobicContact CZ3-CB 4.19Å; W121-V145 HydrophobicContact CZ3-CG1 3.98Å; W121-V145 HydrophobicContact CZ3-CG2 3.82Å; L122-V145 PolarHBondContact N-O 3.08Å; V145-V147 HydrophobicContact CG1-CG2 4.02Å; V145-E169 HydrophobicContact CG1-CB 4.24Å; V145-E169 HydrophobicContact CG1-CG 4.44Å; V145-E169 HydrophobicContact CG2-CB 4.2Å |
| 146 | L | 97.9 | Very high | 94.8 | Very high | 0 Ų | 0 | 35.1 Ų | 35.1 | 0% | 0 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.2 | 107.4 | 174.6 | 179.5 | 56.1 | 0 | 0 | 0 | 110.4 | L122 F137 L143 M148 F161 L164 L167 E169 L170 D171 | L122-L146 HydrophobicContact CB-CD1 4.19Å; L122-L146 HydrophobicContact CD2-CD1 4.01Å; L122-L146 HydrophobicContact CG-CD1 4.11Å; F137-L146 HydrophobicContact CE1-CD1 4.34Å; F137-L146 HydrophobicContact CE1-CD2 4.21Å; F137-L146 HydrophobicContact CE2-CD2 4.43Å; F137-L146 HydrophobicContact CZ-CD1 4.47Å; F137-L146 HydrophobicContact CZ-CD2 4.01Å; L143-L146 HydrophobicContact CD2-CB 3.91Å; L143-L146 HydrophobicContact CD2-CD1 4.25Å; L143-L146 HydrophobicContact CD2-CD2 4.43Å; L143-L146 HydrophobicContact CD2-CG 4.42Å; L146-M148 HydrophobicContact CD1-CE 4.46Å; L146-M148 HydrophobicContact CD1-CG 3.89Å; L146-M148 HydrophobicContact CD1-SD 4.1Å; L146-M148 HydrophobicContact CD2-CE 3.74Å; L146-M148 HydrophobicContact CD2-SD 4.31Å; L146-M148 HydrophobicContact CG-CE 4.03Å; L146-M148 HydrophobicContact CG-CG 4.15Å; L146-M148 HydrophobicContact CG-SD 4.31Å; L146-F161 HydrophobicContact CD2-CE1 4.3Å; L146-L164 HydrophobicContact CD2-CD1 3.76Å; L146-L167 HydrophobicContact CB-CD1 3.83Å; L146-L167 HydrophobicContact CB-CD2 4.5Å; L146-E169 PolarHBondContact N-O 3.36Å; L146-L170 HydrophobicContact CB-CD1 4.23Å; L146-L170 HydrophobicContact CD2-CD1 4.09Å; L146-L170 HydrophobicContact CG-CD1 4.19Å; L146-D171 PolarHBondContact O-N 3.39Å |
| 147 | V | 97.9 | Very high | 94.8 | Very high | 10 Ų | 10 | 38.6 Ų | 38.6 | 6% | 0.061 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.2 | 116.8 | 176 | -174.5 | 0 | 0 | 0 | 0 | 109.2 | L122 L124 E125 V145 R149 D171 | L122-V147 PolarHBondContact O-N 2.85Å; L124-V147 PolarHBondContact N-O 2.89Å; E125-V147 HydrophobicContact CB-CG1 4.01Å; V145-V147 HydrophobicContact CG1-CG2 4.02Å; V147-R149 HydrophobicContact CG1-CB 4.2Å; V147-D171 HydrophobicContact CG1-CB 4.28Å |
| 148 | M | 96.5 | Very high | 94.6 | Very high | 0 Ų | 0 | 42.9 Ų | 42.9 | 0% | 0 | 22% | 0.22 | C | C | . | . | trans | -128.7 | 26.2 | 173.8 | -63.6 | -172 | -63 | 0 | 0 | 111.5 | L124 L132 F137 L146 N151 I153 F161 D171 L172 N175 | L124-M148 HydrophobicContact CB-CG 4.25Å; L124-M148 HydrophobicContact CD1-CG 4.09Å; L124-M148 HydrophobicContact CD1-SD 4.26Å; L132-M148 HydrophobicContact CD1-CE 3.61Å; L132-M148 HydrophobicContact CD1-SD 4.16Å; L132-M148 HydrophobicContact CD2-SD 3.99Å; F137-M148 HydrophobicContact CZ-CE 4.48Å; F137-M148 HydrophobicContact CZ-SD 4.02Å; L146-M148 HydrophobicContact CD1-CE 4.46Å; L146-M148 HydrophobicContact CD1-CG 3.89Å; L146-M148 HydrophobicContact CD1-SD 4.1Å; L146-M148 HydrophobicContact CD2-CE 3.74Å; L146-M148 HydrophobicContact CD2-SD 4.31Å; L146-M148 HydrophobicContact CG-CE 4.03Å; L146-M148 HydrophobicContact CG-CG 4.15Å; L146-M148 HydrophobicContact CG-SD 4.31Å; M148-N151 PolarHBondContact O-ND2 2.97Å; M148-N151 VanDerWaalsContact O-ND2 3.12Å; M148-I153 HydrophobicContact CB-CD1 4.16Å; M148-I153 HydrophobicContact CE-CD1 4.44Å; M148-I153 HydrophobicContact SD-CD1 4.45Å; M148-F161 HydrophobicContact CE-CE1 3.94Å; M148-F161 HydrophobicContact CE-CZ 4.29Å; M148-D171 CarbonylContact C-O 3.54Å; M148-D171 WeakPolarHBondContact CA-O 3.35Å; M148-D171 PolarHBondContact N-O 3.33Å; M148-L172 HydrophobicContact CB-CD2 4.32Å; M148-L172 HydrophobicContact CE-CD2 3.5Å; M148-L172 VanDerWaalsContact CE-CD2 3.5Å; M148-N175 PolarHBondContact O-ND2 2.88Å | ||
| 149 | R | 95.9 | Very high | 94.5 | Very high | 71 Ų | 71 | 41.9 Ų | 41.9 | 27% | 0.268 | 22% | 0.216 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -58.6 | 154.8 | 178.2 | -156.8 | -172.5 | 170.1 | 174.2 | 1.8 | 112.1 | E125 G126 V147 N151 D171 G173 | E125-R149 VanDerWaalsContact CA-O 3.31Å; E125-R149 WeakPolarHBondContact CA-O 3.5Å; E125-R149 HydrophobicContact CG-CB 4.19Å; G126-R149 PolarHBondContact N-O 3.32Å; V147-R149 HydrophobicContact CG1-CB 4.2Å; R149-N151 VanDerWaalsContact C-N 3.26Å; R149-N151 PolarHBondContact O-N 3.25Å; R149-N151 PolarHBondContact O-ND2 2.77Å; R149-N151 VanDerWaalsContact O-ND2 3.07Å; R149-D171 WeakPolarHBondContact CB-OD1 3.32Å; R149-D171 WeakPolarHBondContact CG-OD1 3.47Å; R149-D171 PolarHBondContact N-O 3.14Å; R149-G173 CarbonylContact C-O 3.59Å; R149-G173 WeakPolarHBondContact CA-O 3.41Å; R149-G173 WeakPolarHBondContact CG-O 3.24Å |
| 150 | K | 96.1 | Very high | 94.4 | Very high | 101 Ų | 101 | 39.7 Ų | 39.7 | 44% | 0.439 | 20% | 0.201 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 54 | 38.3 | 175.7 | -59.3 | 174.5 | -171.4 | 155.1 | 0 | 113.6 | E125 G126 G173 S174 | E125-K150 HydrophobicContact CG-CB 4.41Å; E125-K150 HydrophobicContact CG-CD 4.23Å; E125-K150 WeakPolarHBondContact OE1-CD 3.47Å; E125-K150 WeakPolarHBondContact OE1-CE 3.48Å; E125-K150 IonicContact OE1-NZ 2.71Å; E125-K150 PolarHBondContact OE1-NZ 2.95Å; G126-K150 WeakPolarHBondContact CA-O 3.49Å; K150-G173 PolarHBondContact N-O 3.06Å; K150-S174 VanDerWaalsContact CA-O 3.3Å; K150-S174 WeakPolarHBondContact CA-O 3.34Å |
| 151 | N | 97.3 | Very high | 94.4 | Very high | 9 Ų | 9 | 39.6 Ų | 39.6 | 5% | 0.048 | 20% | 0.2 | C | C | . | . | S | Bend | trans | -102.9 | -162.7 | 173 | -87.4 | -87 | 0 | 0 | 0 | 110.3 | L124 N127 H128 I129 M148 R149 I153 N175 | L124-N151 PolarHBondContact O-ND2 2.93Å; N127-N151 WeakPolarHBondContact CA-OD1 3.16Å; N127-N151 WeakPolarHBondContact CB-OD1 3.43Å; N127-N151 PolarHBondContact O-OD1 3.11Å; H128-N151 PolarHBondContact N-OD1 3.18Å; I129-N151 HydrophobicContact CB-CB 4.38Å; I129-N151 VanDerWaalsContact CB-OD1 3.31Å; I129-N151 WeakPolarHBondContact CB-OD1 3.3Å; I129-N151 WeakPolarHBondContact CG1-OD1 3.35Å; I129-N151 PolarHBondContact N-OD1 2.82Å; M148-N151 PolarHBondContact O-ND2 2.97Å; M148-N151 VanDerWaalsContact O-ND2 3.12Å; R149-N151 VanDerWaalsContact C-N 3.26Å; R149-N151 PolarHBondContact O-N 3.25Å; R149-N151 PolarHBondContact O-ND2 2.77Å; R149-N151 VanDerWaalsContact O-ND2 3.07Å; N151-I153 HydrophobicContact CB-CD1 4.35Å; N151-I153 HydrophobicContact CB-CG1 4.18Å; N151-N175 VanDerWaalsContact CA-OD1 3.26Å; N151-N175 WeakPolarHBondContact CA-OD1 3.48Å; N151-N175 WeakPolarHBondContact CB-OD1 3.44Å; N151-N175 PolarHBondContact N-OD1 3.23Å; N151-N175 PolarHBondContact O-OD1 3.18Å |
| 152 | K | 96.4 | Very high | 94.4 | Very high | 72 Ų | 72 | 37.1 Ų | 37.1 | 31% | 0.313 | 18% | 0.184 | S | C | . | . | trans | -121.7 | 27.4 | -178.9 | -62.1 | 177.8 | -175.7 | 166.9 | 0 | 111.5 | H128 I129 N154 N175 | H128-K152 HydrophobicContact CB-CD 4.2Å; H128-K152 VanDerWaalsContact CG-NZ 3.35Å; H128-K152 PolarHBondContact ND1-NZ 3.15Å; I129-K152 CarbonylContact O-C 3.41Å; I129-K152 WeakPolarHBondContact O-CA 3.32Å; I129-K152 PolarHBondContact O-N 3.39Å; K152-N154 PolarHBondContact O-N 3.27Å; K152-N175 PolarHBondContact N-OD1 2.89Å | ||
| 153 | I | 95.6 | Very high | 94.3 | Very high | 0 Ų | 0 | 36.5 Ų | 36.5 | 0% | 0 | 18% | 0.182 | C | C | . | . | trans | -67.7 | 120.4 | -174.5 | -57.9 | 168.2 | 0 | 0 | 0 | 109 | I129 H130 L132 M148 N151 L156 N175 K176 I177 | I129-I153 HydrophobicContact CG2-CG1 4.37Å; I129-I153 WeakPolarHBondContact O-CG1 3.25Å; I129-I153 PolarHBondContact O-N 3.23Å; I129-I153 VanDerWaalsContact O-N 3.09Å; H130-I153 WeakPolarHBondContact O-CA 3.38Å; L132-I153 HydrophobicContact CD1-CD1 4.22Å; L132-I153 HydrophobicContact CG-CD1 4.41Å; M148-I153 HydrophobicContact CB-CD1 4.16Å; M148-I153 HydrophobicContact CE-CD1 4.44Å; M148-I153 HydrophobicContact SD-CD1 4.45Å; N151-I153 HydrophobicContact CB-CD1 4.35Å; N151-I153 HydrophobicContact CB-CG1 4.18Å; I153-L156 HydrophobicContact CG2-CD2 3.92Å; I153-L156 HydrophobicContact CG2-CG 4.48Å; I153-N175 HydrophobicContact CB-CB 4.27Å; I153-N175 WeakPolarHBondContact CB-OD1 3.27Å; I153-N175 WeakPolarHBondContact CG1-OD1 3.02Å; I153-N175 PolarHBondContact N-OD1 2.82Å; I153-K176 CarbonylContact O-C 3.34Å; I153-K176 VanDerWaalsContact O-CA 3.25Å; I153-K176 WeakPolarHBondContact O-CA 3.48Å; I153-K176 PolarHBondContact O-N 3.08Å; I153-I177 HydrophobicContact CG2-CG1 4.23Å; I153-I177 WeakPolarHBondContact O-CG1 3.47Å; I153-I177 PolarHBondContact O-N 3.06Å; I153-I177 VanDerWaalsContact O-N 3.14Å | ||
| 154 | N | 92.3 | Very high | 94.2 | Very high | 45 Ų | 45 | 36.5 Ų | 36.5 | 24% | 0.241 | 18% | 0.182 | C | C | . | . | trans | -114 | -28.6 | 178.5 | 67.6 | -23.2 | 0 | 0 | 0 | 113.8 | H130 N131 K152 K176 | H130-N154 PolarHBondContact O-N 3.14Å; H130-N154 PolarHBondContact O-OD1 3.26Å; N131-N154 PolarHBondContact OD1-OD1 2.87Å; K152-N154 PolarHBondContact O-N 3.27Å; N154-K176 WeakPolarHBondContact CA-O 3.45Å; N154-K176 HydrophobicContact CB-CB 4.16Å | ||
| 155 | H | 89.1 | Confident | 94 | Very high | 109 Ų | 109 | 40.1 Ų | 40.1 | 51% | 0.505 | 20% | 0.196 | S | C | . | . | B | Isolated β-bridge | trans | -125.4 | 136.2 | 179 | -57 | -48.5 | 0 | 0 | 0 | 111.7 | ||
| 156 | L | 91.2 | Very high | 93.9 | Very high | 11 Ų | 11 | 44.8 Ų | 44.8 | 6% | 0.058 | 22% | 0.215 | C | C | . | . | trans | -117.4 | 151.1 | 170.3 | -63.7 | 175 | 0 | 0 | 0 | 108.2 | L132 I153 F161 L172 I177 L180 P181 I184 | L132-L156 HydrophobicContact CD1-CD2 3.75Å; I153-L156 HydrophobicContact CG2-CD2 3.92Å; I153-L156 HydrophobicContact CG2-CG 4.48Å; L156-F161 HydrophobicContact CD1-CE2 4.25Å; L156-F161 HydrophobicContact CD2-CE2 4.3Å; L156-F161 HydrophobicContact CD2-CZ 4.06Å; L156-L172 HydrophobicContact CD1-CD1 4.28Å; L156-I177 HydrophobicContact CD1-CD1 4.04Å; L156-I177 HydrophobicContact CD1-CG2 4.45Å; L156-L180 HydrophobicContact CD1-CD2 4.33Å; L156-P181 HydrophobicContact CB-CG 4.05Å; L156-P181 WeakPolarHBondContact O-CG 3.22Å; L156-I184 HydrophobicContact CB-CD1 4.28Å; L156-I184 HydrophobicContact CD1-CG1 4.49Å | ||
| 157 | N | 89.9 | Confident | 93.9 | Very high | 72 Ų | 72 | 44.8 Ų | 44.8 | 39% | 0.385 | 22% | 0.215 | S | C | . | . | trans | -109.5 | 145 | 173.2 | -59.8 | -30.6 | 0 | 0 | 0 | 109 | N134 N159 T160 I184 | N134-N157 VanDerWaalsContact OD1-CB 3.3Å; N134-N157 WeakPolarHBondContact OD1-CB 3.38Å; N134-N157 PolarHBondContact OD1-ND2 2.92Å; N157-N159 PolarHBondContact O-N 3.43Å; N157-T160 PolarHBondContact N-OG1 3.44Å; N157-T160 WeakPolarHBondContact O-CB 3.45Å; N157-T160 PolarHBondContact O-N 3.01Å; N157-T160 PolarHBondContact O-OG1 3Å; N157-I184 WeakPolarHBondContact O-CD1 3.34Å | ||
| 158 | E | 88.6 | Confident | 93.8 | Very high | 91 Ų | 91 | 47.1 Ų | 47.1 | 43% | 0.425 | 23% | 0.227 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -47.7 | -34.4 | -173 | -59.2 | -178.3 | 166.7 | 0 | 0 | 115.3 | P181 P182 | E158-P181 HydrophobicContact CB-CB 4.46Å; E158-P181 HydrophobicContact CG-CB 3.69Å; E158-P182 WeakPolarHBondContact CG-O 3.03Å |
| 159 | N | 89.2 | Confident | 93.8 | Very high | 69 Ų | 69 | 49.4 Ų | 49.4 | 37% | 0.369 | 24% | 0.238 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -102.2 | 13.3 | -177.7 | -58.8 | -60.1 | 0 | 0 | 0 | 113.9 | N157 F161 A162 K186 | N157-N159 PolarHBondContact O-N 3.43Å; N159-F161 VanDerWaalsContact C-N 3.29Å; N159-F161 PolarHBondContact O-N 2.89Å; N159-A162 HydrophobicContact CB-CB 4.27Å; N159-A162 PolarHBondContact O-N 3.45Å; N159-K186 PolarHBondContact OD1-NZ 3.31Å |
| 160 | T | 91.1 | Very high | 93.9 | Very high | 0 Ų | 0 | 46 Ų | 46 | 0% | 0 | 23% | 0.225 | C | C | . | . | S | Bend | trans | -57.8 | -38.9 | -178.8 | -64.8 | 0 | 0 | 0 | 0 | 112.7 | L132 F137 N157 | L132-T160 HydrophobicContact CB-CG2 3.71Å; L132-T160 HydrophobicContact CD1-CG2 3.85Å; L132-T160 HydrophobicContact CG-CG2 4.45Å; F137-T160 HydrophobicContact CD2-CG2 4.4Å; F137-T160 HydrophobicContact CE2-CG2 4.42Å; N157-T160 PolarHBondContact N-OG1 3.44Å; N157-T160 WeakPolarHBondContact O-CB 3.45Å; N157-T160 PolarHBondContact O-N 3.01Å; N157-T160 PolarHBondContact O-OG1 3Å |
| 161 | F | 94.1 | Very high | 93.9 | Very high | 1 Ų | 1 | 42 Ų | 42 | 0% | 0.004 | 21% | 0.209 | C | C | . | . | S | Bend | trans | -105 | -0.9 | -177.1 | -52.6 | -58 | 0 | 0 | 0 | 114.2 | L132 L146 M148 L156 N159 P163 L164 L170 L172 I184 L188 | L132-F161 HydrophobicContact CD1-CE1 4.18Å; L132-F161 HydrophobicContact CD1-CZ 4.16Å; L146-F161 HydrophobicContact CD2-CE1 4.3Å; M148-F161 HydrophobicContact CE-CE1 3.94Å; M148-F161 HydrophobicContact CE-CZ 4.29Å; L156-F161 HydrophobicContact CD1-CE2 4.25Å; L156-F161 HydrophobicContact CD2-CE2 4.3Å; L156-F161 HydrophobicContact CD2-CZ 4.06Å; N159-F161 VanDerWaalsContact C-N 3.29Å; N159-F161 PolarHBondContact O-N 2.89Å; F161-P163 VanDerWaalsContact C-N 3.28Å; F161-P163 VanDerWaalsContact O-N 3.13Å; F161-L164 HydrophobicContact CB-CD1 4.41Å; F161-L164 HydrophobicContact CD1-CD1 3.94Å; F161-L164 WeakPolarHBondContact O-CB 3.36Å; F161-L164 PolarHBondContact O-N 3.3Å; F161-L170 HydrophobicContact CD2-CD2 4.26Å; F161-L170 HydrophobicContact CE1-CD1 4.32Å; F161-L170 HydrophobicContact CE2-CD2 4.19Å; F161-L170 HydrophobicContact CZ-CD1 4.48Å; F161-L170 HydrophobicContact CZ-CD2 4.37Å; F161-L172 HydrophobicContact CE2-CD1 4.13Å; F161-L172 HydrophobicContact CZ-CD1 4.03Å; F161-L172 HydrophobicContact CZ-CD2 4.14Å; F161-I184 HydrophobicContact CD2-CD1 3.85Å; F161-I184 HydrophobicContact CD2-CG1 3.9Å; F161-I184 HydrophobicContact CE2-CD1 4.12Å; F161-I184 HydrophobicContact CE2-CG1 4.07Å; F161-L188 HydrophobicContact CB-CD1 4.05Å; F161-L188 HydrophobicContact CB-CD2 4.07Å; F161-L188 HydrophobicContact CB-CG 4.35Å; F161-L188 WeakPolarHBondContact O-CD2 3.35Å |
| 162 | A | 93.2 | Very high | 93.8 | Very high | 22 Ų | 22 | 41.6 Ų | 41.6 | 18% | 0.182 | 21% | 0.206 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -51.4 | -33.9 | -179.4 | 0 | 0 | 0 | 0 | 0 | 115.6 | N159 L164 D187 | N159-A162 HydrophobicContact CB-CB 4.27Å; N159-A162 PolarHBondContact O-N 3.45Å; A162-L164 VanDerWaalsContact C-N 3.3Å; A162-L164 PolarHBondContact O-N 3.43Å; A162-D187 WeakPolarHBondContact CA-OD2 3.46Å; A162-D187 WeakPolarHBondContact CB-OD2 3.04Å |
| 163 | P | 93.8 | Very high | 93.7 | Very high | 27 Ų | 27 | 38.2 Ų | 38.2 | 18% | 0.175 | 19% | 0.191 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -71.4 | -18.1 | 175.3 | -20.6 | 34.5 | 0 | 0 | 0 | 115.1 | F137 I138 F161 Q165 | F137-P163 WeakPolarHBondContact O-CB 3.36Å; I138-P163 HydrophobicContact CB-CG 4.47Å; F161-P163 VanDerWaalsContact C-N 3.28Å; F161-P163 VanDerWaalsContact O-N 3.13Å; P163-Q165 VanDerWaalsContact C-N 3.27Å; P163-Q165 PolarHBondContact O-N 3.31Å; P163-Q165 VanDerWaalsContact O-N 3.08Å |
| 164 | L | 95.2 | Very high | 93.5 | Very high | 0 Ų | 0 | 39.9 Ų | 39.9 | 0% | 0 | 20% | 0.203 | C | C | . | . | trans | -89.2 | 50.2 | -168.3 | -55 | -178.8 | 0 | 0 | 0 | 112.1 | F137 C140 L143 L146 F161 A162 K166 L167 L188 | F137-L164 HydrophobicContact CB-CD2 4.04Å; F137-L164 HydrophobicContact CB-CG 4.37Å; F137-L164 HydrophobicContact CG-CD1 4.46Å; C140-L164 HydrophobicContact CB-CD2 3.76Å; C140-L164 WeakPolarHBondContact O-CD2 3.38Å; L143-L164 HydrophobicContact CB-CD2 4.18Å; L143-L164 HydrophobicContact CD2-CD2 4.1Å; L146-L164 HydrophobicContact CD2-CD1 3.76Å; F161-L164 HydrophobicContact CB-CD1 4.41Å; F161-L164 HydrophobicContact CD1-CD1 3.94Å; F161-L164 WeakPolarHBondContact O-CB 3.36Å; F161-L164 PolarHBondContact O-N 3.3Å; A162-L164 VanDerWaalsContact C-N 3.3Å; A162-L164 PolarHBondContact O-N 3.43Å; L164-K166 PolarHBondContact O-N 3.48Å; L164-K166 VanDerWaalsContact O-N 3.11Å; L164-L167 HydrophobicContact CB-CB 4.07Å; L164-L167 HydrophobicContact CB-CD2 4.27Å; L164-L167 HydrophobicContact CD1-CD2 4.06Å; L164-L167 WeakPolarHBondContact O-CB 3.43Å; L164-L167 PolarHBondContact O-N 3.16Å; L164-L188 HydrophobicContact CB-CD2 4.06Å; L164-L188 VanDerWaalsContact O-CD2 3.31Å; L164-L188 WeakPolarHBondContact O-CD2 3.13Å | ||
| 165 | Q | 93.8 | Very high | 93.7 | Very high | 123 Ų | 123 | 38.1 Ų | 38.1 | 58% | 0.575 | 19% | 0.194 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -65.7 | -17.9 | -170.3 | -63.5 | 179.3 | 2 | 0 | 0 | 114.7 | P163 E190 | P163-Q165 VanDerWaalsContact C-N 3.27Å; P163-Q165 PolarHBondContact O-N 3.31Å; P163-Q165 VanDerWaalsContact O-N 3.08Å; Q165-E190 WeakPolarHBondContact O-CG 3.47Å |
| 166 | K | 96.2 | Very high | 93.9 | Very high | 108 Ų | 108 | 39 Ų | 39 | 47% | 0.47 | 20% | 0.196 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -99 | 6.9 | 176.3 | -65.3 | -172.6 | -174.9 | 178.2 | 0 | 114 | N142 L143 L164 D168 | N142-K166 PolarHBondContact OD1-NZ 3.5Å; L143-K166 CarbonylContact O-C 3.23Å; L164-K166 PolarHBondContact O-N 3.48Å; L164-K166 VanDerWaalsContact O-N 3.11Å; K166-D168 PolarHBondContact O-N 3.04Å |
| 167 | L | 97.6 | Very high | 93.9 | Very high | 0 Ų | 0 | 38.5 Ų | 38.5 | 0% | 0 | 19% | 0.194 | C | C | . | . | trans | -66.8 | 120.9 | -177.2 | -160 | 71.9 | 0 | 0 | 0 | 110.1 | L143 L146 L164 L170 L188 E190 L191 | L143-L167 HydrophobicContact CD2-CD1 4.23Å; L143-L167 HydrophobicContact CG-CD1 4.31Å; L143-L167 WeakPolarHBondContact O-CA 3.36Å; L143-L167 PolarHBondContact O-N 3.04Å; L146-L167 HydrophobicContact CB-CD1 3.83Å; L146-L167 HydrophobicContact CB-CD2 4.5Å; L164-L167 HydrophobicContact CB-CB 4.07Å; L164-L167 HydrophobicContact CB-CD2 4.27Å; L164-L167 HydrophobicContact CD1-CD2 4.06Å; L164-L167 WeakPolarHBondContact O-CB 3.43Å; L164-L167 PolarHBondContact O-N 3.16Å; L167-L170 HydrophobicContact CD2-CB 3.83Å; L167-L170 HydrophobicContact CD2-CD1 4.2Å; L167-L170 HydrophobicContact CD2-CD2 4.29Å; L167-L170 HydrophobicContact CD2-CG 4.32Å; L167-L188 HydrophobicContact CB-CD2 4.31Å; L167-L188 HydrophobicContact CD2-CD1 4.43Å; L167-L188 HydrophobicContact CD2-CD2 4.36Å; L167-E190 CarbonylContact O-C 3.48Å; L167-E190 VanDerWaalsContact O-C 3.32Å; L167-L191 HydrophobicContact CB-CD1 4.38Å; L167-L191 HydrophobicContact CD2-CD1 4.14Å; L167-L191 HydrophobicContact CG-CD1 4.1Å; L167-L191 WeakPolarHBondContact O-CA 3.35Å; L167-L191 PolarHBondContact O-N 3.49Å; L167-L191 VanDerWaalsContact O-N 3.1Å | ||
| 168 | D | 96.9 | Very high | 93.9 | Very high | 59 Ų | 59 | 39.2 Ų | 39.2 | 32% | 0.316 | 19% | 0.194 | S | C | . | . | trans | -96 | -37.3 | 176.1 | 178.6 | 62.1 | 0 | 0 | 0 | 110.8 | T144 K166 S192 Q193 | T144-D168 PolarHBondContact O-N 3.33Å; K166-D168 PolarHBondContact O-N 3.04Å; D168-S192 VanDerWaalsContact CG-OG 3.3Å; D168-S192 PolarHBondContact O-N 3.39Å; D168-S192 WeakPolarHBondContact OD1-CB 3.18Å; D168-S192 PolarHBondContact OD1-OG 3.37Å; D168-S192 PolarHBondContact OD2-OG 2.91Å; D168-Q193 PolarHBondContact O-N 2.66Å | ||
| 169 | E | 97.3 | Very high | 93.9 | Very high | 48 Ų | 48 | 39 Ų | 39 | 22% | 0.224 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.7 | 128.2 | -179 | -175 | 173.2 | 144.8 | 0 | 0 | 112.5 | T144 V145 L146 Q193 | T144-E169 PolarHBondContact O-N 3.01Å; V145-E169 HydrophobicContact CG1-CB 4.24Å; V145-E169 HydrophobicContact CG1-CG 4.44Å; V145-E169 HydrophobicContact CG2-CB 4.2Å; L146-E169 PolarHBondContact N-O 3.36Å; E169-Q193 WeakPolarHBondContact CA-O 3.44Å; E169-Q193 HydrophobicContact CB-CB 4.19Å; E169-Q193 HydrophobicContact CG-CB 3.95Å; E169-Q193 PolarHBondContact OE2-NE2 3.29Å |
| 170 | L | 97 | Very high | 93.9 | Very high | 0 Ų | 0 | 36.3 Ų | 36.3 | 0% | 0 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129 | 111.3 | 175 | 178.6 | 55.8 | 0 | 0 | 0 | 110.4 | L146 F161 L167 L172 F185 L188 L191 Q193 L194 N195 | L146-L170 HydrophobicContact CB-CD1 4.23Å; L146-L170 HydrophobicContact CD2-CD1 4.09Å; L146-L170 HydrophobicContact CG-CD1 4.19Å; F161-L170 HydrophobicContact CD2-CD2 4.26Å; F161-L170 HydrophobicContact CE1-CD1 4.32Å; F161-L170 HydrophobicContact CE2-CD2 4.19Å; F161-L170 HydrophobicContact CZ-CD1 4.48Å; F161-L170 HydrophobicContact CZ-CD2 4.37Å; L167-L170 HydrophobicContact CD2-CB 3.83Å; L167-L170 HydrophobicContact CD2-CD1 4.2Å; L167-L170 HydrophobicContact CD2-CD2 4.29Å; L167-L170 HydrophobicContact CD2-CG 4.32Å; L170-L172 HydrophobicContact CD1-CD1 4.46Å; L170-L172 HydrophobicContact CD1-CD2 4.07Å; L170-L172 HydrophobicContact CD1-CG 4.01Å; L170-L172 HydrophobicContact CD2-CD1 4.18Å; L170-L172 HydrophobicContact CG-CD1 4.26Å; L170-L172 HydrophobicContact CG-CG 4.08Å; L170-F185 HydrophobicContact CD2-CE1 4.18Å; L170-L188 HydrophobicContact CD2-CD1 4.04Å; L170-L191 HydrophobicContact CB-CD1 3.81Å; L170-Q193 PolarHBondContact N-O 3.33Å; L170-L194 HydrophobicContact CB-CD1 4.18Å; L170-L194 HydrophobicContact CD2-CD1 4.05Å; L170-L194 HydrophobicContact CG-CD1 4.14Å; L170-N195 PolarHBondContact O-N 3.31Å |
| 171 | D | 96.2 | Very high | 94 | Very high | 17 Ų | 17 | 37.2 Ų | 37.2 | 9% | 0.091 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.8 | 112.9 | 173.3 | -163.6 | -34.2 | 0 | 0 | 0 | 111.5 | L146 V147 M148 R149 G173 N195 | L146-D171 PolarHBondContact O-N 3.39Å; V147-D171 HydrophobicContact CG1-CB 4.28Å; M148-D171 CarbonylContact C-O 3.54Å; M148-D171 WeakPolarHBondContact CA-O 3.35Å; M148-D171 PolarHBondContact N-O 3.33Å; R149-D171 WeakPolarHBondContact CB-OD1 3.32Å; R149-D171 WeakPolarHBondContact CG-OD1 3.47Å; R149-D171 PolarHBondContact N-O 3.14Å; D171-G173 WeakPolarHBondContact OD1-CA 3.48Å; D171-G173 PolarHBondContact OD1-N 3.32Å; D171-N195 HydrophobicContact CB-CB 4.23Å; D171-N195 VanDerWaalsContact CG-ND2 3.26Å; D171-N195 PolarHBondContact OD1-ND2 3.29Å; D171-N195 PolarHBondContact OD2-ND2 2.7Å |
| 172 | L | 94.9 | Very high | 93.7 | Very high | 0 Ų | 0 | 39.5 Ų | 39.5 | 0% | 0 | 20% | 0.203 | C | C | . | . | trans | -114.9 | 14.1 | 173.6 | -60.4 | 173.7 | 0 | 0 | 0 | 111.7 | M148 L156 F161 L170 N175 I177 N195 L196 N199 | M148-L172 HydrophobicContact CB-CD2 4.32Å; M148-L172 HydrophobicContact CE-CD2 3.5Å; M148-L172 VanDerWaalsContact CE-CD2 3.5Å; L156-L172 HydrophobicContact CD1-CD1 4.28Å; F161-L172 HydrophobicContact CE2-CD1 4.13Å; F161-L172 HydrophobicContact CZ-CD1 4.03Å; F161-L172 HydrophobicContact CZ-CD2 4.14Å; L170-L172 HydrophobicContact CD1-CD1 4.46Å; L170-L172 HydrophobicContact CD1-CD2 4.07Å; L170-L172 HydrophobicContact CD1-CG 4.01Å; L170-L172 HydrophobicContact CD2-CD1 4.18Å; L170-L172 HydrophobicContact CG-CD1 4.26Å; L170-L172 HydrophobicContact CG-CG 4.08Å; L172-N175 WeakPolarHBondContact O-CB 3.28Å; L172-N175 PolarHBondContact O-ND2 3.1Å; L172-I177 HydrophobicContact CB-CD1 4.08Å; L172-I177 HydrophobicContact CD1-CD1 4.29Å; L172-N195 PolarHBondContact N-O 3.46Å; L172-L196 HydrophobicContact CB-CD2 4.12Å; L172-L196 HydrophobicContact CD1-CD2 3.92Å; L172-N199 PolarHBondContact O-ND2 3.06Å | ||
| 173 | G | 93.8 | Very high | 93.5 | Very high | 0 Ų | 0 | 41.5 Ų | 41.5 | 0% | 0 | 21% | 0.21 | C | C | . | . | trans | -63.7 | 154.9 | -173.8 | 0 | 0 | 0 | 0 | 0 | 113.5 | R149 K150 D171 N175 N195 S197 | R149-G173 CarbonylContact C-O 3.59Å; R149-G173 WeakPolarHBondContact CA-O 3.41Å; R149-G173 WeakPolarHBondContact CG-O 3.24Å; K150-G173 PolarHBondContact N-O 3.06Å; D171-G173 WeakPolarHBondContact OD1-CA 3.48Å; D171-G173 PolarHBondContact OD1-N 3.32Å; G173-N175 VanDerWaalsContact C-N 3.3Å; G173-N175 PolarHBondContact O-N 2.65Å; G173-N175 PolarHBondContact O-ND2 2.9Å; G173-N195 PolarHBondContact N-O 3.42Å; G173-S197 CarbonylContact C-O 3.57Å; G173-S197 WeakPolarHBondContact CA-O 3.39Å | ||
| 174 | S | 93.1 | Very high | 93.4 | Very high | 35 Ų | 35 | 40.4 Ų | 40.4 | 25% | 0.245 | 20% | 0.202 | C | C | . | . | S | Bend | trans | 55.2 | 43 | 178.5 | -48.4 | 0 | 0 | 0 | 0 | 113.1 | K150 S197 Y198 | K150-S174 VanDerWaalsContact CA-O 3.3Å; K150-S174 WeakPolarHBondContact CA-O 3.34Å; S174-S197 PolarHBondContact N-O 3Å; S174-Y198 WeakPolarHBondContact CA-O 3.22Å |
| 175 | N | 94.9 | Very high | 93.3 | Very high | 9 Ų | 9 | 40.5 Ų | 40.5 | 5% | 0.048 | 20% | 0.203 | C | C | . | . | S | Bend | trans | -109.5 | -160.9 | 173.7 | -87.6 | -79.1 | 0 | 0 | 0 | 110.1 | M148 N151 K152 I153 L172 G173 I177 N199 | M148-N175 PolarHBondContact O-ND2 2.88Å; N151-N175 VanDerWaalsContact CA-OD1 3.26Å; N151-N175 WeakPolarHBondContact CA-OD1 3.48Å; N151-N175 WeakPolarHBondContact CB-OD1 3.44Å; N151-N175 PolarHBondContact N-OD1 3.23Å; N151-N175 PolarHBondContact O-OD1 3.18Å; K152-N175 PolarHBondContact N-OD1 2.89Å; I153-N175 HydrophobicContact CB-CB 4.27Å; I153-N175 WeakPolarHBondContact CB-OD1 3.27Å; I153-N175 WeakPolarHBondContact CG1-OD1 3.02Å; I153-N175 PolarHBondContact N-OD1 2.82Å; L172-N175 WeakPolarHBondContact O-CB 3.28Å; L172-N175 PolarHBondContact O-ND2 3.1Å; G173-N175 VanDerWaalsContact C-N 3.3Å; G173-N175 PolarHBondContact O-N 2.65Å; G173-N175 PolarHBondContact O-ND2 2.9Å; N175-I177 HydrophobicContact CB-CD1 4.35Å; N175-I177 HydrophobicContact CB-CG1 4.26Å; N175-N199 VanDerWaalsContact CA-OD1 3.28Å; N175-N199 WeakPolarHBondContact CA-OD1 3.46Å; N175-N199 WeakPolarHBondContact CB-OD1 3.41Å; N175-N199 PolarHBondContact N-OD1 2.99Å; N175-N199 PolarHBondContact O-OD1 3.03Å |
| 176 | K | 94.1 | Very high | 93.3 | Very high | 128 Ų | 128 | 37.3 Ų | 37.3 | 56% | 0.557 | 19% | 0.187 | S | C | * | . | trans | -121.3 | 28.1 | -179.5 | -63.2 | -165.7 | 171.6 | -160.1 | 0 | 112.5 | I153 N154 E178 N199 | I153-K176 CarbonylContact O-C 3.34Å; I153-K176 VanDerWaalsContact O-CA 3.25Å; I153-K176 WeakPolarHBondContact O-CA 3.48Å; I153-K176 PolarHBondContact O-N 3.08Å; N154-K176 WeakPolarHBondContact CA-O 3.45Å; N154-K176 HydrophobicContact CB-CB 4.16Å; K176-E178 PolarHBondContact O-N 3.14Å; K176-N199 PolarHBondContact N-OD1 3.12Å | ||
| 177 | I | 92.1 | Very high | 93.1 | Very high | 0 Ų | 0 | 34.3 Ų | 34.3 | 0% | 0 | 18% | 0.176 | C | C | . | . | trans | -70.5 | 114.7 | -175.8 | -57.6 | 165.4 | 0 | 0 | 0 | 108.9 | I153 L156 L172 N175 L180 N199 P200 I201 | I153-I177 HydrophobicContact CG2-CG1 4.23Å; I153-I177 WeakPolarHBondContact O-CG1 3.47Å; I153-I177 PolarHBondContact O-N 3.06Å; I153-I177 VanDerWaalsContact O-N 3.14Å; L156-I177 HydrophobicContact CD1-CD1 4.04Å; L156-I177 HydrophobicContact CD1-CG2 4.45Å; L172-I177 HydrophobicContact CB-CD1 4.08Å; L172-I177 HydrophobicContact CD1-CD1 4.29Å; N175-I177 HydrophobicContact CB-CD1 4.35Å; N175-I177 HydrophobicContact CB-CG1 4.26Å; I177-L180 HydrophobicContact CG2-CD2 3.99Å; I177-N199 HydrophobicContact CB-CB 4.24Å; I177-N199 WeakPolarHBondContact CB-OD1 3.35Å; I177-N199 WeakPolarHBondContact CG1-OD1 3.31Å; I177-N199 PolarHBondContact N-OD1 3.26Å; I177-P200 CarbonylContact O-C 3.18Å; I177-P200 WeakPolarHBondContact O-CD 3.46Å; I177-I201 HydrophobicContact CB-CG1 4.46Å; I177-I201 HydrophobicContact CG2-CD1 4.37Å; I177-I201 HydrophobicContact CG2-CG1 4.28Å; I177-I201 WeakPolarHBondContact O-CG1 3.32Å; I177-I201 PolarHBondContact O-N 3.29Å | ||
| 178 | E | 89.1 | Confident | 93 | Very high | 86 Ų | 86 | 34.3 Ų | 34.3 | 40% | 0.402 | 18% | 0.176 | S | C | . | . | trans | -90.6 | -33.1 | 179.8 | -67.5 | 175.9 | -162.8 | 0 | 0 | 113 | K176 P200 I201 Q202 | K176-E178 PolarHBondContact O-N 3.14Å; E178-P200 WeakPolarHBondContact CA-O 3.13Å; E178-P200 HydrophobicContact CG-CG 4.13Å; E178-I201 WeakPolarHBondContact O-CA 3.31Å; E178-Q202 PolarHBondContact O-N 3.09Å | ||
| 179 | N | 88.4 | Confident | 92.8 | Very high | 86 Ų | 86 | 37.4 Ų | 37.4 | 46% | 0.46 | 19% | 0.187 | S | C | . | . | trans | -142 | 136.8 | -176.2 | -68.7 | -76.7 | 0 | 0 | 0 | 109.9 | ||||
| 180 | L | 90.3 | Very high | 92.7 | Very high | 13 Ų | 13 | 39.1 Ų | 39.1 | 7% | 0.068 | 20% | 0.195 | C | C | . | . | P | Polyproline II helix | trans | -91.2 | 127.4 | 170.8 | -63.1 | 172.9 | 0 | 0 | 0 | 109.1 | L156 I177 F185 L196 I201 I204 Q208 | L156-L180 HydrophobicContact CD1-CD2 4.33Å; I177-L180 HydrophobicContact CG2-CD2 3.99Å; L180-F185 HydrophobicContact CD1-CE2 4.33Å; L180-F185 HydrophobicContact CD2-CZ 4.44Å; L180-L196 HydrophobicContact CD1-CD1 4.05Å; L180-I201 HydrophobicContact CD1-CD1 4.13Å; L180-I201 HydrophobicContact CD2-CD1 4.12Å; L180-I201 HydrophobicContact CG-CD1 4.02Å; L180-I204 HydrophobicContact CD1-CD1 4.5Å; L180-I204 HydrophobicContact CD1-CG1 4.48Å; L180-Q208 HydrophobicContact CD1-CG 4.21Å |
| 181 | P | 91.6 | Very high | 92.7 | Very high | 20 Ų | 20 | 39.1 Ų | 39.1 | 13% | 0.13 | 20% | 0.195 | C | C | . | . | P | Polyproline II helix | trans | -61.2 | 153.3 | 173 | -21.2 | 31.7 | 0 | 0 | 0 | 111.8 | L156 E158 I184 Q208 | L156-P181 HydrophobicContact CB-CG 4.05Å; L156-P181 WeakPolarHBondContact O-CG 3.22Å; E158-P181 HydrophobicContact CB-CB 4.46Å; E158-P181 HydrophobicContact CG-CB 3.69Å; P181-I184 HydrophobicContact CB-CB 4.46Å; P181-Q208 PolarHBondContact O-NE2 3.4Å |
| 182 | P | 88.4 | Confident | 92.6 | Very high | 48 Ų | 48 | 38.6 Ų | 38.6 | 31% | 0.312 | 19% | 0.193 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -54.2 | 142.3 | 169 | -19.1 | 30.5 | 0 | 0 | 0 | 110.3 | E158 I184 | E158-P182 WeakPolarHBondContact CG-O 3.03Å; P182-I184 PolarHBondContact O-N 3.42Å |
| 183 | L | 88.9 | Confident | 92.6 | Very high | 65 Ų | 65 | 41.8 Ų | 41.8 | 34% | 0.34 | 21% | 0.207 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 58.8 | 12.6 | 169.6 | -50.1 | 176.5 | 0 | 0 | 0 | 116.5 | F185 K186 Y211 | L183-F185 PolarHBondContact O-N 2.96Å; L183-K186 HydrophobicContact CB-CB 4.15Å; L183-K186 HydrophobicContact CB-CD 3.92Å; L183-K186 HydrophobicContact CB-CG 4.48Å; L183-K186 VanDerWaalsContact O-CB 3.29Å; L183-K186 WeakPolarHBondContact O-CB 3.04Å; L183-K186 WeakPolarHBondContact O-CG 3.27Å; L183-K186 PolarHBondContact O-N 2.93Å; L183-Y211 HydrophobicContact CD2-CE2 3.63Å |
| 184 | I | 92.6 | Very high | 92.6 | Very high | 3 Ų | 3 | 41.8 Ų | 41.8 | 2% | 0.015 | 21% | 0.207 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -52.4 | -24.4 | 178.9 | -172.7 | 59.5 | 0 | 0 | 0 | 114.4 | L156 N157 F161 P181 P182 | L156-I184 HydrophobicContact CB-CD1 4.28Å; L156-I184 HydrophobicContact CD1-CG1 4.49Å; N157-I184 WeakPolarHBondContact O-CD1 3.34Å; F161-I184 HydrophobicContact CD2-CD1 3.85Å; F161-I184 HydrophobicContact CD2-CG1 3.9Å; F161-I184 HydrophobicContact CE2-CD1 4.12Å; F161-I184 HydrophobicContact CE2-CG1 4.07Å; P181-I184 HydrophobicContact CB-CB 4.46Å; P182-I184 PolarHBondContact O-N 3.42Å |
| 185 | F | 93.1 | Very high | 92.6 | Very high | 2 Ų | 2 | 40.7 Ų | 40.7 | 1% | 0.009 | 20% | 0.199 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -108.8 | 5.1 | -179.1 | -54.5 | -48.8 | 0 | 0 | 0 | 114.1 | L170 L180 L183 D187 L188 L194 L196 Q208 F209 L212 | L170-F185 HydrophobicContact CD2-CE1 4.18Å; L180-F185 HydrophobicContact CD1-CE2 4.33Å; L180-F185 HydrophobicContact CD2-CZ 4.44Å; L183-F185 PolarHBondContact O-N 2.96Å; F185-D187 VanDerWaalsContact C-N 3.25Å; F185-D187 PolarHBondContact O-N 3.13Å; F185-D187 VanDerWaalsContact O-N 3.14Å; F185-L188 HydrophobicContact CD1-CD1 3.92Å; F185-L188 PolarHBondContact O-N 3.18Å; F185-L188 VanDerWaalsContact O-N 3.12Å; F185-L194 HydrophobicContact CD2-CD2 4.39Å; F185-L194 HydrophobicContact CE1-CD1 4.2Å; F185-L194 HydrophobicContact CE1-CD2 4.39Å; F185-L194 HydrophobicContact CE2-CD2 3.97Å; F185-L194 HydrophobicContact CZ-CD1 4.25Å; F185-L194 HydrophobicContact CZ-CD2 3.97Å; F185-L196 HydrophobicContact CE2-CD1 4.49Å; F185-L196 HydrophobicContact CZ-CD1 4.32Å; F185-L196 HydrophobicContact CZ-CD2 4.33Å; F185-Q208 HydrophobicContact CD2-CG 4.33Å; F185-Q208 HydrophobicContact CE2-CG 4.33Å; F185-F209 HydrophobicContact CD2-CD1 4.37Å; F185-F209 HydrophobicContact CE2-CE1 4.21Å; F185-L212 HydrophobicContact CB-CD1 4.19Å; F185-L212 HydrophobicContact CB-CD2 3.98Å; F185-L212 HydrophobicContact CB-CG 4.19Å; F185-L212 HydrophobicContact CD2-CD1 4.3Å; F185-L212 HydrophobicContact CG-CD1 4.36Å |
| 186 | K | 92.6 | Very high | 92.4 | Very high | 56 Ų | 56 | 40.3 Ų | 40.3 | 24% | 0.243 | 20% | 0.197 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -57.3 | -33.1 | -169.8 | 76.3 | -165.8 | 179.4 | -162.1 | 0 | 114.7 | N159 L183 Y211 | N159-K186 PolarHBondContact OD1-NZ 3.31Å; L183-K186 HydrophobicContact CB-CB 4.15Å; L183-K186 HydrophobicContact CB-CD 3.92Å; L183-K186 HydrophobicContact CB-CG 4.48Å; L183-K186 VanDerWaalsContact O-CB 3.29Å; L183-K186 WeakPolarHBondContact O-CB 3.04Å; L183-K186 WeakPolarHBondContact O-CG 3.27Å; L183-K186 PolarHBondContact O-N 2.93Å; K186-Y211 HydrophobicContact CB-CD2 4.06Å; K186-Y211 HydrophobicContact CB-CE2 4.34Å; K186-Y211 HydrophobicContact CB-CG 4.23Å |
| 187 | D | 93.2 | Very high | 92.1 | Very high | 46 Ų | 46 | 34.7 Ų | 34.7 | 25% | 0.246 | 17% | 0.174 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -94.7 | -9.3 | -174.9 | -60.2 | -54.6 | 0 | 0 | 0 | 112.7 | A162 F185 K189 | A162-D187 WeakPolarHBondContact CA-OD2 3.46Å; A162-D187 WeakPolarHBondContact CB-OD2 3.04Å; F185-D187 VanDerWaalsContact C-N 3.25Å; F185-D187 PolarHBondContact O-N 3.13Å; F185-D187 VanDerWaalsContact O-N 3.14Å; D187-K189 PolarHBondContact O-N 3.11Å |
| 188 | L | 94.6 | Very high | 91.8 | Very high | 0 Ų | 0 | 42.2 Ų | 42.2 | 0% | 0 | 20% | 0.203 | C | C | . | . | trans | -83.7 | 54.5 | -175.7 | -57.5 | -173.5 | 0 | 0 | 0 | 112 | F161 L164 L167 L170 F185 E190 L191 L212 | F161-L188 HydrophobicContact CB-CD1 4.05Å; F161-L188 HydrophobicContact CB-CD2 4.07Å; F161-L188 HydrophobicContact CB-CG 4.35Å; F161-L188 WeakPolarHBondContact O-CD2 3.35Å; L164-L188 HydrophobicContact CB-CD2 4.06Å; L164-L188 VanDerWaalsContact O-CD2 3.31Å; L164-L188 WeakPolarHBondContact O-CD2 3.13Å; L167-L188 HydrophobicContact CB-CD2 4.31Å; L167-L188 HydrophobicContact CD2-CD1 4.43Å; L167-L188 HydrophobicContact CD2-CD2 4.36Å; L170-L188 HydrophobicContact CD2-CD1 4.04Å; F185-L188 HydrophobicContact CD1-CD1 3.92Å; F185-L188 PolarHBondContact O-N 3.18Å; F185-L188 VanDerWaalsContact O-N 3.12Å; L188-E190 VanDerWaalsContact C-N 3.26Å; L188-E190 PolarHBondContact O-N 3.45Å; L188-L191 HydrophobicContact CB-CB 4.09Å; L188-L191 HydrophobicContact CB-CD2 4.44Å; L188-L191 HydrophobicContact CD1-CD2 4.22Å; L188-L191 VanDerWaalsContact O-CB 3.28Å; L188-L191 WeakPolarHBondContact O-CB 3.46Å; L188-L191 PolarHBondContact O-N 3.36Å; L188-L212 HydrophobicContact CB-CD2 4.11Å; L188-L212 WeakPolarHBondContact O-CD2 3.32Å | ||
| 189 | K | 92.6 | Very high | 91.8 | Very high | 124 Ų | 124 | 38.5 Ų | 38.5 | 54% | 0.539 | 19% | 0.186 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -67.7 | -24.4 | -172.1 | -61.9 | 179.1 | -175.8 | 174.9 | 0 | 113.9 | D187 K214 | D187-K189 PolarHBondContact O-N 3.11Å; K189-K214 WeakPolarHBondContact O-CD 3.33Å |
| 190 | E | 95.3 | Very high | 91.7 | Very high | 84 Ų | 84 | 37.8 Ų | 37.8 | 39% | 0.393 | 19% | 0.186 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -86.9 | -8.2 | 178 | -64.4 | -57.3 | 123.1 | 0 | 0 | 113.9 | Q165 L167 L188 S192 K214 | Q165-E190 WeakPolarHBondContact O-CG 3.47Å; L167-E190 CarbonylContact O-C 3.48Å; L167-E190 VanDerWaalsContact O-C 3.32Å; L188-E190 VanDerWaalsContact C-N 3.26Å; L188-E190 PolarHBondContact O-N 3.45Å; E190-S192 PolarHBondContact O-N 3.43Å; E190-K214 IonicContact OE1-NZ 2.65Å; E190-K214 PolarHBondContact OE1-NZ 2.89Å; E190-K214 IonicContact OE2-NZ 2.7Å; E190-K214 PolarHBondContact OE2-NZ 2.92Å |
| 191 | L | 96.2 | Very high | 91.6 | Very high | 0 Ų | 0 | 37.4 Ų | 37.4 | 0% | 0 | 18% | 0.184 | C | C | . | . | trans | -64.1 | 117.7 | -171.8 | -164.6 | 76.8 | 0 | 0 | 0 | 111.6 | L167 L170 L188 L194 L212 K214 L215 | L167-L191 HydrophobicContact CB-CD1 4.38Å; L167-L191 HydrophobicContact CD2-CD1 4.14Å; L167-L191 HydrophobicContact CG-CD1 4.1Å; L167-L191 WeakPolarHBondContact O-CA 3.35Å; L167-L191 PolarHBondContact O-N 3.49Å; L167-L191 VanDerWaalsContact O-N 3.1Å; L170-L191 HydrophobicContact CB-CD1 3.81Å; L188-L191 HydrophobicContact CB-CB 4.09Å; L188-L191 HydrophobicContact CB-CD2 4.44Å; L188-L191 HydrophobicContact CD1-CD2 4.22Å; L188-L191 VanDerWaalsContact O-CB 3.28Å; L188-L191 WeakPolarHBondContact O-CB 3.46Å; L188-L191 PolarHBondContact O-N 3.36Å; L191-L194 HydrophobicContact CD2-CB 4.01Å; L191-L194 HydrophobicContact CD2-CD1 4.29Å; L191-L194 HydrophobicContact CD2-CD2 4.48Å; L191-L194 HydrophobicContact CD2-CG 4.48Å; L191-L212 HydrophobicContact CB-CD2 4.1Å; L191-L212 HydrophobicContact CD2-CD1 4.37Å; L191-L212 HydrophobicContact CD2-CD2 3.89Å; L191-K214 CarbonylContact O-C 3.12Å; L191-K214 VanDerWaalsContact O-C 3.29Å; L191-L215 HydrophobicContact CD2-CD1 4.34Å; L191-L215 HydrophobicContact CG-CD1 4.4Å; L191-L215 WeakPolarHBondContact O-CA 3.34Å; L191-L215 PolarHBondContact O-N 3.38Å | ||
| 192 | S | 95.1 | Very high | 91.1 | Very high | 6 Ų | 6 | 41.7 Ų | 41.7 | 4% | 0.042 | 20% | 0.202 | C | C | . | . | trans | -103.9 | -21.3 | 176.5 | 84.8 | 0 | 0 | 0 | 0 | 113.3 | D168 E190 K216 S217 | D168-S192 VanDerWaalsContact CG-OG 3.3Å; D168-S192 PolarHBondContact O-N 3.39Å; D168-S192 WeakPolarHBondContact OD1-CB 3.18Å; D168-S192 PolarHBondContact OD1-OG 3.37Å; D168-S192 PolarHBondContact OD2-OG 2.91Å; E190-S192 PolarHBondContact O-N 3.43Å; S192-K216 WeakPolarHBondContact O-CA 3.22Å; S192-K216 PolarHBondContact O-N 3.38Å; S192-S217 PolarHBondContact O-N 2.73Å | ||
| 193 | Q | 94.4 | Very high | 90.8 | Very high | 66 Ų | 66 | 45.9 Ų | 45.9 | 31% | 0.308 | 22% | 0.216 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.1 | 124.2 | 179.1 | -62.1 | -173.7 | 89.4 | 0 | 0 | 111.7 | D168 E169 L170 | D168-Q193 PolarHBondContact O-N 2.66Å; E169-Q193 WeakPolarHBondContact CA-O 3.44Å; E169-Q193 HydrophobicContact CB-CB 4.19Å; E169-Q193 HydrophobicContact CG-CB 3.95Å; E169-Q193 PolarHBondContact OE2-NE2 3.29Å; L170-Q193 PolarHBondContact N-O 3.33Å |
| 194 | L | 94 | Very high | 90.6 | Very high | 0 Ų | 0 | 42.9 Ų | 42.9 | 0% | 0 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.8 | 120.7 | 174.7 | 179.4 | 57.7 | 0 | 0 | 0 | 109.8 | L170 F185 L191 L196 F209 L212 L215 S217 L218 L219 | L170-L194 HydrophobicContact CB-CD1 4.18Å; L170-L194 HydrophobicContact CD2-CD1 4.05Å; L170-L194 HydrophobicContact CG-CD1 4.14Å; F185-L194 HydrophobicContact CD2-CD2 4.39Å; F185-L194 HydrophobicContact CE1-CD1 4.2Å; F185-L194 HydrophobicContact CE1-CD2 4.39Å; F185-L194 HydrophobicContact CE2-CD2 3.97Å; F185-L194 HydrophobicContact CZ-CD1 4.25Å; F185-L194 HydrophobicContact CZ-CD2 3.97Å; L191-L194 HydrophobicContact CD2-CB 4.01Å; L191-L194 HydrophobicContact CD2-CD1 4.29Å; L191-L194 HydrophobicContact CD2-CD2 4.48Å; L191-L194 HydrophobicContact CD2-CG 4.48Å; L194-L196 HydrophobicContact CD1-CD2 4.08Å; L194-L196 HydrophobicContact CD1-CG 4.14Å; L194-L196 HydrophobicContact CD2-CD1 4.17Å; L194-L196 HydrophobicContact CD2-CG 4.41Å; L194-L196 HydrophobicContact CG-CD1 4.36Å; L194-L196 HydrophobicContact CG-CG 4.06Å; L194-F209 HydrophobicContact CD2-CE1 4.23Å; L194-L212 HydrophobicContact CD2-CD1 3.94Å; L194-L215 HydrophobicContact CB-CD1 3.79Å; L194-S217 PolarHBondContact N-O 3.46Å; L194-S217 VanDerWaalsContact N-O 3.1Å; L194-L218 HydrophobicContact CB-CD1 4.16Å; L194-L218 HydrophobicContact CD2-CD1 4.03Å; L194-L218 HydrophobicContact CG-CD1 4.12Å; L194-L219 PolarHBondContact O-N 3.34Å |
| 195 | N | 92.5 | Very high | 90.4 | Very high | 13 Ų | 13 | 46.6 Ų | 46.6 | 7% | 0.07 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.7 | 115.7 | 173.6 | -174.4 | 6.1 | 0 | 0 | 0 | 110.8 | L170 D171 L172 G173 S197 L219 | L170-N195 PolarHBondContact O-N 3.31Å; D171-N195 HydrophobicContact CB-CB 4.23Å; D171-N195 VanDerWaalsContact CG-ND2 3.26Å; D171-N195 PolarHBondContact OD1-ND2 3.29Å; D171-N195 PolarHBondContact OD2-ND2 2.7Å; L172-N195 PolarHBondContact N-O 3.46Å; G173-N195 PolarHBondContact N-O 3.42Å; N195-S197 VanDerWaalsContact OD1-CB 3.27Å; N195-S197 WeakPolarHBondContact OD1-CB 3.29Å; N195-S197 PolarHBondContact OD1-N 3.27Å; N195-S197 PolarHBondContact OD1-OG 2.88Å; N195-L219 HydrophobicContact CB-CB 3.9Å; N195-L219 HydrophobicContact CB-CD1 4.25Å; N195-L219 PolarHBondContact OD1-O 3.48Å |
| 196 | L | 90.7 | Very high | 90.1 | Very high | 0 Ų | 0 | 48.1 Ų | 48.1 | 0% | 0 | 23% | 0.23 | C | C | . | . | trans | -116.8 | 2.4 | 175.2 | -61.3 | 175.6 | 0 | 0 | 0 | 112.2 | L172 L180 F185 L194 N199 I201 L219 I222 | L172-L196 HydrophobicContact CB-CD2 4.12Å; L172-L196 HydrophobicContact CD1-CD2 3.92Å; L180-L196 HydrophobicContact CD1-CD1 4.05Å; F185-L196 HydrophobicContact CE2-CD1 4.49Å; F185-L196 HydrophobicContact CZ-CD1 4.32Å; F185-L196 HydrophobicContact CZ-CD2 4.33Å; L194-L196 HydrophobicContact CD1-CD2 4.08Å; L194-L196 HydrophobicContact CD1-CG 4.14Å; L194-L196 HydrophobicContact CD2-CD1 4.17Å; L194-L196 HydrophobicContact CD2-CG 4.41Å; L194-L196 HydrophobicContact CG-CD1 4.36Å; L194-L196 HydrophobicContact CG-CG 4.06Å; L196-N199 PolarHBondContact O-ND2 2.92Å; L196-I201 HydrophobicContact CB-CD1 4.47Å; L196-L219 PolarHBondContact N-O 3.06Å; L196-L219 VanDerWaalsContact N-O 3.11Å; L196-I222 HydrophobicContact CB-CD1 3.62Å; L196-I222 WeakPolarHBondContact O-CD1 3.17Å | ||
| 197 | S | 88.3 | Confident | 90 | Very high | 10 Ų | 10 | 48.5 Ų | 48.5 | 7% | 0.07 | 24% | 0.235 | C | C | . | . | trans | -50.7 | 150.1 | -174.6 | 62.9 | 0 | 0 | 0 | 0 | 114.1 | G173 S174 N195 N199 L219 | G173-S197 CarbonylContact C-O 3.57Å; G173-S197 WeakPolarHBondContact CA-O 3.39Å; S174-S197 PolarHBondContact N-O 3Å; N195-S197 VanDerWaalsContact OD1-CB 3.27Å; N195-S197 WeakPolarHBondContact OD1-CB 3.29Å; N195-S197 PolarHBondContact OD1-N 3.27Å; N195-S197 PolarHBondContact OD1-OG 2.88Å; S197-N199 VanDerWaalsContact C-N 3.3Å; S197-N199 PolarHBondContact O-N 3.49Å; S197-N199 PolarHBondContact O-ND2 3.44Å; S197-L219 PolarHBondContact N-O 2.94Å | ||
| 198 | Y | 86.9 | Confident | 89.8 | Confident | 158 Ų | 158 | 46.6 Ų | 46.6 | 62% | 0.62 | 22% | 0.224 | S | C | * | . | S | Bend | trans | 55.7 | 39.7 | 178.8 | -49.8 | -82.7 | 0 | 0 | 0 | 114.3 | S174 | S174-Y198 WeakPolarHBondContact CA-O 3.22Š|
| 199 | N | 88.6 | Confident | 89.6 | Confident | 9 Ų | 9 | 46.6 Ų | 46.6 | 5% | 0.048 | 23% | 0.225 | C | C | . | . | trans | -114 | 145.1 | 165.4 | -78.6 | -84.8 | 0 | 0 | 0 | 109.9 | L172 N175 K176 I177 L196 S197 I201 | L172-N199 PolarHBondContact O-ND2 3.06Å; N175-N199 VanDerWaalsContact CA-OD1 3.28Å; N175-N199 WeakPolarHBondContact CA-OD1 3.46Å; N175-N199 WeakPolarHBondContact CB-OD1 3.41Å; N175-N199 PolarHBondContact N-OD1 2.99Å; N175-N199 PolarHBondContact O-OD1 3.03Å; K176-N199 PolarHBondContact N-OD1 3.12Å; I177-N199 HydrophobicContact CB-CB 4.24Å; I177-N199 WeakPolarHBondContact CB-OD1 3.35Å; I177-N199 WeakPolarHBondContact CG1-OD1 3.31Å; I177-N199 PolarHBondContact N-OD1 3.26Å; L196-N199 PolarHBondContact O-ND2 2.92Å; S197-N199 VanDerWaalsContact C-N 3.3Å; S197-N199 PolarHBondContact O-N 3.49Å; S197-N199 PolarHBondContact O-ND2 3.44Å; N199-I201 HydrophobicContact CB-CD1 4.1Å; N199-I201 HydrophobicContact CB-CG1 3.82Å; N199-I201 PolarHBondContact O-N 3.14Å | ||
| 200 | P | 86.8 | Confident | 89.5 | Confident | 71 Ų | 71 | 42.8 Ų | 42.8 | 46% | 0.461 | 21% | 0.21 | S | C | . | . | trans | -77.5 | 45.6 | 179.5 | 35.3 | -38.2 | 0 | 0 | 0 | 112.9 | I177 E178 Q202 | I177-P200 CarbonylContact O-C 3.18Å; I177-P200 WeakPolarHBondContact O-CD 3.46Å; E178-P200 WeakPolarHBondContact CA-O 3.13Å; E178-P200 HydrophobicContact CG-CG 4.13Å; P200-Q202 PolarHBondContact O-N 3.39Å | ||
| 201 | I | 86.8 | Confident | 89.2 | Confident | 5 Ų | 5 | 43.9 Ų | 43.9 | 3% | 0.026 | 21% | 0.211 | C | C | . | . | trans | -70.8 | 116 | -175.9 | -59.8 | 179.1 | 0 | 0 | 0 | 109.6 | I177 E178 L180 L196 N199 I204 I222 | I177-I201 HydrophobicContact CB-CG1 4.46Å; I177-I201 HydrophobicContact CG2-CD1 4.37Å; I177-I201 HydrophobicContact CG2-CG1 4.28Å; I177-I201 WeakPolarHBondContact O-CG1 3.32Å; I177-I201 PolarHBondContact O-N 3.29Å; E178-I201 WeakPolarHBondContact O-CA 3.31Å; L180-I201 HydrophobicContact CD1-CD1 4.13Å; L180-I201 HydrophobicContact CD2-CD1 4.12Å; L180-I201 HydrophobicContact CG-CD1 4.02Å; L196-I201 HydrophobicContact CB-CD1 4.47Å; N199-I201 HydrophobicContact CB-CD1 4.1Å; N199-I201 HydrophobicContact CB-CG1 3.82Å; N199-I201 PolarHBondContact O-N 3.14Å; I201-I204 HydrophobicContact CG2-CD1 4.44Å; I201-I204 HydrophobicContact CG2-CG1 3.89Å; I201-I222 HydrophobicContact CB-CG2 3.88Å; I201-I222 HydrophobicContact CD1-CD1 3.75Å; I201-I222 HydrophobicContact CG1-CD1 4.43Å | ||
| 202 | Q | 81.5 | Confident | 89.1 | Confident | 109 Ų | 109 | 44 Ų | 44 | 51% | 0.509 | 21% | 0.212 | S | C | . | . | trans | -78.8 | -38.4 | -173.6 | -60.4 | -177.1 | 12 | 0 | 0 | 113.1 | E178 P200 S225 | E178-Q202 PolarHBondContact O-N 3.09Å; P200-Q202 PolarHBondContact O-N 3.39Å; Q202-S225 PolarHBondContact O-OG 2.83Å; Q202-S225 VanDerWaalsContact O-OG 3.07Å | ||
| 203 | K | 82.1 | Confident | 88.7 | Confident | 136 Ų | 136 | 47.5 Ų | 47.5 | 59% | 0.591 | 23% | 0.233 | S | C | * | . | trans | -146.8 | 141.6 | -175 | -64.6 | -179.2 | -176.9 | 173.6 | 0 | 110.9 | N226 | K203-N226 WeakPolarHBondContact CA-OD1 3.3Š| ||
| 204 | I | 85.9 | Confident | 88.7 | Confident | 3 Ų | 3 | 48.5 Ų | 48.5 | 2% | 0.015 | 24% | 0.236 | C | C | . | . | trans | -115.7 | 137.8 | 170.5 | -58.5 | -169.6 | 0 | 0 | 0 | 108.8 | L180 I201 Q208 F209 I224 N226 M231 | L180-I204 HydrophobicContact CD1-CD1 4.5Å; L180-I204 HydrophobicContact CD1-CG1 4.48Å; I201-I204 HydrophobicContact CG2-CD1 4.44Å; I201-I204 HydrophobicContact CG2-CG1 3.89Å; I204-Q208 HydrophobicContact CG2-CB 3.68Å; I204-Q208 HydrophobicContact CG2-CG 3.99Å; I204-F209 HydrophobicContact CD1-CZ 4.14Å; I204-F209 HydrophobicContact CG2-CE2 3.89Å; I204-F209 HydrophobicContact CG2-CZ 3.94Å; I204-I224 HydrophobicContact CD1-CD1 3.65Å; I204-I224 HydrophobicContact CD1-CG1 3.84Å; I204-I224 HydrophobicContact CG1-CD1 4.41Å; I204-I224 HydrophobicContact CG1-CG1 4.28Å; I204-N226 PolarHBondContact N-OD1 3.03Å; I204-N226 VanDerWaalsContact N-OD1 3.11Å; I204-N226 PolarHBondContact O-ND2 3.27Å; I204-M231 VanDerWaalsContact O-CE 3.23Å; I204-M231 WeakPolarHBondContact O-CE 3.29Å | ||
| 205 | Q | 87.6 | Confident | 88.6 | Confident | 81 Ų | 81 | 48.6 Ų | 48.6 | 38% | 0.379 | 24% | 0.237 | S | C | . | . | trans | -74.6 | 145.5 | 178.2 | -59.3 | -171.2 | -15.1 | 0 | 0 | 110.9 | N207 Q208 | Q205-N207 WeakPolarHBondContact CB-OD1 3.41Å; Q205-N207 PolarHBondContact O-N 3.48Å; Q205-Q208 HydrophobicContact CB-CB 4.44Å; Q205-Q208 VanDerWaalsContact O-CB 3.28Å; Q205-Q208 WeakPolarHBondContact O-CB 3.44Å; Q205-Q208 PolarHBondContact O-N 3.31Å | ||
| 206 | A | 86.7 | Confident | 88.5 | Confident | 33 Ų | 33 | 53.4 Ų | 53.4 | 27% | 0.273 | 26% | 0.257 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -62.1 | -19.7 | -175 | 0 | 0 | 0 | 0 | 0 | 114.4 | R230 | A206-R230 HydrophobicContact CB-CG 4.47Š|
| 207 | N | 89.6 | Confident | 88.3 | Confident | 64 Ų | 64 | 54.1 Ų | 54.1 | 34% | 0.342 | 26% | 0.262 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -108.6 | 8.1 | 178.8 | 63.3 | -29.8 | 0 | 0 | 0 | 113.7 | Q205 F209 D210 | Q205-N207 WeakPolarHBondContact CB-OD1 3.41Å; Q205-N207 PolarHBondContact O-N 3.48Å; N207-F209 PolarHBondContact O-N 2.96Å; N207-F209 VanDerWaalsContact O-N 3.1Å; N207-D210 WeakPolarHBondContact CA-OD1 3.38Å; N207-D210 PolarHBondContact O-N 3.4Å |
| 208 | Q | 89.1 | Confident | 88.2 | Confident | 6 Ų | 6 | 53.6 Ų | 53.6 | 3% | 0.028 | 26% | 0.258 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -56.8 | -31.8 | -173.3 | -164.8 | 70.1 | 22.3 | 0 | 0 | 113.2 | L180 P181 F185 I204 Q205 | L180-Q208 HydrophobicContact CD1-CG 4.21Å; P181-Q208 PolarHBondContact O-NE2 3.4Å; F185-Q208 HydrophobicContact CD2-CG 4.33Å; F185-Q208 HydrophobicContact CE2-CG 4.33Å; I204-Q208 HydrophobicContact CG2-CB 3.68Å; I204-Q208 HydrophobicContact CG2-CG 3.99Å; Q205-Q208 HydrophobicContact CB-CB 4.44Å; Q205-Q208 VanDerWaalsContact O-CB 3.28Å; Q205-Q208 WeakPolarHBondContact O-CB 3.44Å; Q205-Q208 PolarHBondContact O-N 3.31Å |
| 209 | F | 90.2 | Very high | 87.4 | Confident | 1 Ų | 1 | 48.6 Ų | 48.6 | 0% | 0.004 | 24% | 0.242 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -107.9 | 3.4 | -174.6 | -49.1 | -58.3 | 0 | 0 | 0 | 113.7 | F185 L194 I204 N207 Y211 L212 L218 F232 L235 | F185-F209 HydrophobicContact CD2-CD1 4.37Å; F185-F209 HydrophobicContact CE2-CE1 4.21Å; L194-F209 HydrophobicContact CD2-CE1 4.23Å; I204-F209 HydrophobicContact CD1-CZ 4.14Å; I204-F209 HydrophobicContact CG2-CE2 3.89Å; I204-F209 HydrophobicContact CG2-CZ 3.94Å; N207-F209 PolarHBondContact O-N 2.96Å; N207-F209 VanDerWaalsContact O-N 3.1Å; F209-Y211 PolarHBondContact O-N 3.37Å; F209-L212 HydrophobicContact CB-CD1 4.39Å; F209-L212 HydrophobicContact CD1-CD1 3.97Å; F209-L212 WeakPolarHBondContact O-CB 3.18Å; F209-L212 PolarHBondContact O-N 3.48Å; F209-L218 HydrophobicContact CE2-CD2 4.32Å; F209-L218 HydrophobicContact CZ-CD2 4.32Å; F209-F232 HydrophobicContact CE2-CE1 4.46Å; F209-L235 HydrophobicContact CB-CD1 4.01Å; F209-L235 HydrophobicContact CB-CD2 4.06Å; F209-L235 HydrophobicContact CB-CG 4.36Å; F209-L235 HydrophobicContact CG-CD1 4.49Å; F209-L235 WeakPolarHBondContact O-CD2 3.27Å |
| 210 | D | 90.7 | Very high | 86.3 | Confident | 43 Ų | 43 | 48.6 Ų | 48.6 | 23% | 0.23 | 24% | 0.242 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -56 | -28.5 | -172.2 | -81.1 | 14.7 | 0 | 0 | 0 | 114.2 | N207 R230 P234 | N207-D210 WeakPolarHBondContact CA-OD1 3.38Å; N207-D210 PolarHBondContact O-N 3.4Å; D210-R230 IonicContact OD1-CZ 2.91Å; D210-R230 IonicContact OD1-NH1 2.62Å; D210-R230 PolarHBondContact OD1-NH1 3.07Å; D210-R230 IonicContact OD1-NH2 2.73Å; D210-R230 PolarHBondContact OD1-NH2 3.25Å; D210-R230 IonicContact OD2-CZ 2.77Å; D210-R230 IonicContact OD2-NH1 3.67Å; D210-R230 IonicContact OD2-NH2 3.76Å; D210-R230 PolarHBondContact OD2-NH2 3.08Å; D210-P234 WeakPolarHBondContact OD1-CG 3.43Å |
| 211 | Y | 90.6 | Very high | 85 | Confident | 108 Ų | 108 | 46.8 Ų | 46.8 | 42% | 0.424 | 24% | 0.236 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -89.5 | -11 | -177.8 | -57.8 | -82 | 0 | 0 | 0 | 114 | L183 K186 F209 V213 | L183-Y211 HydrophobicContact CD2-CE2 3.63Å; K186-Y211 HydrophobicContact CB-CD2 4.06Å; K186-Y211 HydrophobicContact CB-CE2 4.34Å; K186-Y211 HydrophobicContact CB-CG 4.23Å; F209-Y211 PolarHBondContact O-N 3.37Å; Y211-V213 PolarHBondContact O-N 3.26Å |
| 212 | L | 92.2 | Very high | 83.8 | Confident | 1 Ų | 1 | 46.7 Ų | 46.7 | 1% | 0.005 | 24% | 0.235 | C | C | . | . | trans | -85.1 | 54.2 | -173.7 | -64.4 | -177.3 | 0 | 0 | 0 | 112.3 | F185 L188 L191 L194 F209 K214 L215 L235 | F185-L212 HydrophobicContact CB-CD1 4.19Å; F185-L212 HydrophobicContact CB-CD2 3.98Å; F185-L212 HydrophobicContact CB-CG 4.19Å; F185-L212 HydrophobicContact CD2-CD1 4.3Å; F185-L212 HydrophobicContact CG-CD1 4.36Å; L188-L212 HydrophobicContact CB-CD2 4.11Å; L188-L212 WeakPolarHBondContact O-CD2 3.32Å; L191-L212 HydrophobicContact CB-CD2 4.1Å; L191-L212 HydrophobicContact CD2-CD1 4.37Å; L191-L212 HydrophobicContact CD2-CD2 3.89Å; L194-L212 HydrophobicContact CD2-CD1 3.94Å; F209-L212 HydrophobicContact CB-CD1 4.39Å; F209-L212 HydrophobicContact CD1-CD1 3.97Å; F209-L212 WeakPolarHBondContact O-CB 3.18Å; F209-L212 PolarHBondContact O-N 3.48Å; L212-K214 PolarHBondContact O-N 2.84Å; L212-K214 VanDerWaalsContact O-N 3.16Å; L212-L215 HydrophobicContact CB-CB 4.09Å; L212-L215 HydrophobicContact CB-CD2 4.44Å; L212-L215 HydrophobicContact CD1-CD2 4.2Å; L212-L215 VanDerWaalsContact O-CB 3.26Å; L212-L215 WeakPolarHBondContact O-CB 3.46Å; L212-L215 PolarHBondContact O-N 3.44Å; L212-L215 VanDerWaalsContact O-N 3.08Å; L212-L235 HydrophobicContact CB-CD2 4.06Å; L212-L235 WeakPolarHBondContact O-CD2 3.36Å | ||
| 213 | V | 88.4 | Confident | 82.7 | Confident | 81 Ų | 81 | 47 Ų | 47 | 49% | 0.491 | 24% | 0.236 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -63.5 | -22.5 | -171.5 | -63.5 | 0 | 0 | 0 | 0 | 114.6 | Y211 N237 | Y211-V213 PolarHBondContact O-N 3.26Å; V213-N237 PolarHBondContact O-ND2 3.46Å |
| 214 | K | 93 | Very high | 81.9 | Confident | 87 Ų | 87 | 40.6 Ų | 40.6 | 38% | 0.378 | 21% | 0.209 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -94.9 | 0.8 | 177.7 | -80.4 | 176.4 | 169.6 | 173.9 | 0 | 114.2 | K189 E190 L191 L212 K216 | K189-K214 WeakPolarHBondContact O-CD 3.33Å; E190-K214 IonicContact OE1-NZ 2.65Å; E190-K214 PolarHBondContact OE1-NZ 2.89Å; E190-K214 IonicContact OE2-NZ 2.7Å; E190-K214 PolarHBondContact OE2-NZ 2.92Å; L191-K214 CarbonylContact O-C 3.12Å; L191-K214 VanDerWaalsContact O-C 3.29Å; L212-K214 PolarHBondContact O-N 2.84Å; L212-K214 VanDerWaalsContact O-N 3.16Å; K214-K216 PolarHBondContact O-N 3.44Å |
| 215 | L | 92.8 | Very high | 80.8 | Confident | 1 Ų | 1 | 45 Ų | 45 | 1% | 0.005 | 24% | 0.24 | C | C | . | . | trans | -63.5 | 119.8 | -175.3 | -161.9 | 72 | 0 | 0 | 0 | 111.6 | L191 L194 L212 L218 L235 N237 L238 | L191-L215 HydrophobicContact CD2-CD1 4.34Å; L191-L215 HydrophobicContact CG-CD1 4.4Å; L191-L215 WeakPolarHBondContact O-CA 3.34Å; L191-L215 PolarHBondContact O-N 3.38Å; L194-L215 HydrophobicContact CB-CD1 3.79Å; L212-L215 HydrophobicContact CB-CB 4.09Å; L212-L215 HydrophobicContact CB-CD2 4.44Å; L212-L215 HydrophobicContact CD1-CD2 4.2Å; L212-L215 VanDerWaalsContact O-CB 3.26Å; L212-L215 WeakPolarHBondContact O-CB 3.46Å; L212-L215 PolarHBondContact O-N 3.44Å; L212-L215 VanDerWaalsContact O-N 3.08Å; L215-L218 HydrophobicContact CD2-CB 4.19Å; L215-L218 HydrophobicContact CD2-CD1 4.38Å; L215-L235 HydrophobicContact CB-CD2 4.39Å; L215-L235 HydrophobicContact CD2-CD1 4.22Å; L215-L235 HydrophobicContact CD2-CD2 4.39Å; L215-N237 CarbonylContact O-C 3.42Å; L215-L238 HydrophobicContact CD2-CD1 4.45Å; L215-L238 HydrophobicContact CG-CD1 4.48Å; L215-L238 VanDerWaalsContact O-CA 3.29Å; L215-L238 WeakPolarHBondContact O-CA 3.25Å; L215-L238 PolarHBondContact O-N 3.29Å | ||
| 216 | K | 90.3 | Very high | 80.2 | Confident | 115 Ų | 115 | 43.5 Ų | 43.5 | 50% | 0.5 | 24% | 0.235 | S | C | . | . | trans | -102.3 | -32 | 178.5 | -64.5 | 172.9 | -169.5 | 158.3 | 0 | 112.4 | S192 K214 S239 H240 | S192-K216 WeakPolarHBondContact O-CA 3.22Å; S192-K216 PolarHBondContact O-N 3.38Å; K214-K216 PolarHBondContact O-N 3.44Å; K216-S239 PolarHBondContact O-N 2.86Å; K216-S239 PolarHBondContact O-OG 3.46Å; K216-H240 PolarHBondContact O-N 3.21Å | ||
| 217 | S | 87.2 | Confident | 79.8 | Confident | 14 Ų | 14 | 42.6 Ų | 42.6 | 10% | 0.098 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.6 | 123.9 | -177.2 | -168.9 | 0 | 0 | 0 | 0 | 110.7 | S192 L194 H240 | S192-S217 PolarHBondContact O-N 2.73Å; L194-S217 PolarHBondContact N-O 3.46Å; L194-S217 VanDerWaalsContact N-O 3.1Å; S217-H240 WeakPolarHBondContact CA-O 3.26Å |
| 218 | L | 84.4 | Confident | 79.5 | Confident | 0 Ų | 0 | 44.1 Ų | 44.1 | 0% | 0 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.5 | 103.2 | 167.7 | -176.5 | 61.5 | 0 | 0 | 0 | 108.1 | L194 F209 L215 E220 F232 L238 H240 I241 Y242 | L194-L218 HydrophobicContact CB-CD1 4.16Å; L194-L218 HydrophobicContact CD2-CD1 4.03Å; L194-L218 HydrophobicContact CG-CD1 4.12Å; F209-L218 HydrophobicContact CE2-CD2 4.32Å; F209-L218 HydrophobicContact CZ-CD2 4.32Å; L215-L218 HydrophobicContact CD2-CB 4.19Å; L215-L218 HydrophobicContact CD2-CD1 4.38Å; L218-E220 PolarHBondContact O-N 3.27Å; L218-F232 HydrophobicContact CD2-CD1 4.45Å; L218-F232 HydrophobicContact CD2-CE1 3.96Å; L218-L238 HydrophobicContact CB-CD1 4Å; L218-H240 PolarHBondContact N-O 3.37Å; L218-H240 VanDerWaalsContact N-O 3.09Å; L218-I241 HydrophobicContact CB-CG1 4.37Å; L218-I241 HydrophobicContact CD2-CD1 4.08Å; L218-Y242 PolarHBondContact O-N 2.97Å |
| 219 | L | 70.8 | Confident | 79.2 | Confident | 52 Ų | 52 | 49.4 Ų | 49.4 | 27% | 0.272 | 26% | 0.255 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.1 | 104.6 | -178.6 | -77.9 | 150.2 | 0 | 0 | 0 | 108.9 | L194 N195 L196 S197 Y242 | L194-L219 PolarHBondContact O-N 3.34Å; N195-L219 HydrophobicContact CB-CB 3.9Å; N195-L219 HydrophobicContact CB-CD1 4.25Å; N195-L219 PolarHBondContact OD1-O 3.48Å; L196-L219 PolarHBondContact N-O 3.06Å; L196-L219 VanDerWaalsContact N-O 3.11Å; S197-L219 PolarHBondContact N-O 2.94Å; L219-Y242 HydrophobicContact CD2-CD2 3.65Å; L219-Y242 HydrophobicContact CD2-CE2 3.62Å; L219-Y242 HydrophobicContact CD2-CG 4.28Å; L219-Y242 HydrophobicContact CG-CD2 4.24Å; L219-Y242 HydrophobicContact CG-CE2 4.33Å |
| 220 | E | 66.4 | Low | 79.1 | Confident | 10 Ų | 10 | 54.5 Ų | 54.5 | 5% | 0.047 | 27% | 0.274 | C | S | . | . | trans | -131 | 139.9 | -173.6 | 174 | 160.3 | -103.3 | 0 | 0 | 112 | L218 I222 I224 Y242 | L218-E220 PolarHBondContact O-N 3.27Å; E220-I222 HydrophobicContact CG-CB 3.75Å; E220-I222 HydrophobicContact CG-CD1 3.94Å; E220-I222 HydrophobicContact CG-CG1 4Å; E220-I222 WeakPolarHBondContact OE1-CD1 3.34Å; E220-I224 VanDerWaalsContact CD-CD1 3.46Å; E220-I224 WeakPolarHBondContact OE1-CD1 3.33Å; E220-I224 WeakPolarHBondContact OE2-CD1 3.4Å; E220-Y242 CarbonylContact C-O 3.35Å; E220-Y242 VanDerWaalsContact CB-O 3.27Å; E220-Y242 WeakPolarHBondContact CB-O 3.2Å; E220-Y242 CarbonylContact O-C 3.03Å | ||
| 221 | G | 59.3 | Low | 78.9 | Confident | 32 Ų | 32 | 52.5 Ų | 52.5 | 33% | 0.33 | 26% | 0.263 | S | S | . | . | trans | -140.3 | 35 | 173.2 | 0 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 222 | I | 60.8 | Low | 78.8 | Confident | 4 Ų | 4 | 47.3 Ų | 47.3 | 2% | 0.021 | 24% | 0.243 | C | C | . | . | trans | -98.2 | 137.8 | -172 | -64.7 | 159.7 | 0 | 0 | 0 | 108.4 | L196 I201 E220 I224 | L196-I222 HydrophobicContact CB-CD1 3.62Å; L196-I222 WeakPolarHBondContact O-CD1 3.17Å; I201-I222 HydrophobicContact CB-CG2 3.88Å; I201-I222 HydrophobicContact CD1-CD1 3.75Å; I201-I222 HydrophobicContact CG1-CD1 4.43Å; E220-I222 HydrophobicContact CG-CB 3.75Å; E220-I222 HydrophobicContact CG-CD1 3.94Å; E220-I222 HydrophobicContact CG-CG1 4Å; E220-I222 WeakPolarHBondContact OE1-CD1 3.34Å; I222-I224 HydrophobicContact CB-CG1 4.16Å; I222-I224 HydrophobicContact CG2-CG1 3.69Å; I222-I224 PolarHBondContact O-N 3.46Å | ||
| 223 | E | 59 | Low | 78.5 | Confident | 114 Ų | 114 | 55.9 Ų | 55.9 | 53% | 0.533 | 28% | 0.275 | S | S | . | . | trans | -79.1 | 66.1 | 169.3 | -64.6 | -169.1 | 161.3 | 0 | 0 | 110.5 | S225 K244 T440 | E223-S225 PolarHBondContact O-N 2.75Å; E223-K244 HydrophobicContact CG-CD 3.82Å; E223-K244 IonicContact OE1-NZ 3.57Å; E223-K244 PolarHBondContact OE1-NZ 3.47Å; E223-T440 WeakPolarHBondContact OE1-CG2 3.35Å | ||
| 224 | I | 64.4 | Low | 78.4 | Confident | 2 Ų | 2 | 53.8 Ų | 53.8 | 1% | 0.01 | 26% | 0.263 | C | S | . | . | trans | -65.8 | 109 | 176.2 | -52.9 | 165.6 | 0 | 0 | 0 | 108.1 | I204 E220 I222 N226 I227 | I204-I224 HydrophobicContact CD1-CD1 3.65Å; I204-I224 HydrophobicContact CD1-CG1 3.84Å; I204-I224 HydrophobicContact CG1-CD1 4.41Å; I204-I224 HydrophobicContact CG1-CG1 4.28Å; E220-I224 VanDerWaalsContact CD-CD1 3.46Å; E220-I224 WeakPolarHBondContact OE1-CD1 3.33Å; E220-I224 WeakPolarHBondContact OE2-CD1 3.4Å; I222-I224 HydrophobicContact CB-CG1 4.16Å; I222-I224 HydrophobicContact CG2-CG1 3.69Å; I222-I224 PolarHBondContact O-N 3.46Å; I224-N226 VanDerWaalsContact CG2-OD1 3.24Å; I224-N226 WeakPolarHBondContact CG2-OD1 3.31Å; I224-N226 PolarHBondContact O-N 3.21Å; I224-I227 HydrophobicContact CB-CD1 4.05Å; I224-I227 HydrophobicContact CB-CG1 3.48Å; I224-I227 VanDerWaalsContact CB-CG1 3.48Å; I224-I227 HydrophobicContact CD1-CD1 4.31Å; I224-I227 HydrophobicContact CD1-CG1 3.99Å; I224-I227 HydrophobicContact CG1-CG1 4.36Å; I224-I227 HydrophobicContact CG2-CG1 3.59Å | ||
| 225 | S | 64.1 | Low | 78.2 | Confident | 97 Ų | 97 | 49.7 Ų | 49.7 | 68% | 0.678 | 25% | 0.246 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -70 | -19.5 | 176.2 | 61.5 | 0 | 0 | 0 | 0 | 113.5 | Q202 E223 | Q202-S225 PolarHBondContact O-OG 2.83Å; Q202-S225 VanDerWaalsContact O-OG 3.07Å; E223-S225 PolarHBondContact O-N 2.75Å |
| 226 | N | 75.2 | Confident | 77.9 | Confident | 48 Ų | 48 | 56.2 Ų | 56.2 | 26% | 0.257 | 28% | 0.278 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -120.9 | 33.6 | -170.8 | 81 | -53.3 | 0 | 0 | 0 | 115.2 | K203 I204 I224 Q228 M231 | K203-N226 WeakPolarHBondContact CA-OD1 3.3Å; I204-N226 PolarHBondContact N-OD1 3.03Å; I204-N226 VanDerWaalsContact N-OD1 3.11Å; I204-N226 PolarHBondContact O-ND2 3.27Å; I224-N226 VanDerWaalsContact CG2-OD1 3.24Å; I224-N226 WeakPolarHBondContact CG2-OD1 3.31Å; I224-N226 PolarHBondContact O-N 3.21Å; N226-Q228 PolarHBondContact O-N 3.17Å; N226-M231 WeakPolarHBondContact O-CE 3.37Å |
| 227 | I | 78.1 | Confident | 77.9 | Confident | 14 Ų | 14 | 55.3 Ų | 55.3 | 7% | 0.072 | 28% | 0.278 | C | S | . | . | trans | -58.2 | 133.8 | -179 | -56.2 | 179.4 | 0 | 0 | 0 | 111.2 | I224 F232 F243 Y248 Y251 | I224-I227 HydrophobicContact CB-CD1 4.05Å; I224-I227 HydrophobicContact CB-CG1 3.48Å; I224-I227 VanDerWaalsContact CB-CG1 3.48Å; I224-I227 HydrophobicContact CD1-CD1 4.31Å; I224-I227 HydrophobicContact CD1-CG1 3.99Å; I224-I227 HydrophobicContact CG1-CG1 4.36Å; I224-I227 HydrophobicContact CG2-CG1 3.59Å; I227-F232 HydrophobicContact CG2-CE2 3.67Å; I227-F232 HydrophobicContact CG2-CZ 4.25Å; I227-F243 HydrophobicContact CD1-CD1 4.47Å; I227-F243 HydrophobicContact CD1-CE1 4.45Å; I227-Y248 HydrophobicContact CD1-CD1 4.04Å; I227-Y248 HydrophobicContact CD1-CD2 3.38Å; I227-Y248 HydrophobicContact CD1-CE1 4.28Å; I227-Y248 HydrophobicContact CD1-CE2 3.67Å; I227-Y248 HydrophobicContact CD1-CG 3.59Å; I227-Y251 HydrophobicContact CB-CD2 4.03Å; I227-Y251 HydrophobicContact CB-CE2 3.96Å; I227-Y251 HydrophobicContact CG2-CD1 4.27Å; I227-Y251 HydrophobicContact CG2-CD2 3.33Å; I227-Y251 HydrophobicContact CG2-CE2 3.8Å; I227-Y251 HydrophobicContact CG2-CG 3.6Å | ||
| 228 | Q | 82.4 | Confident | 77.9 | Confident | 96 Ų | 96 | 54.9 Ų | 54.9 | 45% | 0.449 | 28% | 0.275 | S | S | . | . | trans | -135.8 | 141.5 | 177.1 | -67.9 | 178.5 | -5.3 | 0 | 0 | 110.8 | N226 R230 M231 | N226-Q228 PolarHBondContact O-N 3.17Å; Q228-R230 PolarHBondContact O-N 2.72Å; Q228-M231 HydrophobicContact CB-CE 4.27Å; Q228-M231 HydrophobicContact CB-CG 4.37Å; Q228-M231 HydrophobicContact CB-SD 4.4Å; Q228-M231 HydrophobicContact CG-CE 4.45Å; Q228-M231 PolarHBondContact N-SD 3.15Å; Q228-M231 VanDerWaalsContact O-CB 3.31Å; Q228-M231 WeakPolarHBondContact O-CB 3.35Å; Q228-M231 WeakPolarHBondContact O-CG 3.44Å; Q228-M231 PolarHBondContact O-N 3.34Å | ||
| 229 | Q | 82.3 | Confident | 78 | Confident | 117 Ų | 117 | 56.6 Ų | 56.6 | 55% | 0.547 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -55.6 | -29.1 | 177.3 | -165.9 | -176.5 | 17 | 0 | 0 | 113 | M231 F232 R233 Y251 | Q229-M231 PolarHBondContact O-N 2.86Å; Q229-F232 PolarHBondContact O-N 2.91Å; Q229-R233 PolarHBondContact O-N 3.19Å; Q229-Y251 HydrophobicContact CB-CD1 4.27Å; Q229-Y251 WeakPolarHBondContact CG-O 3.43Å |
| 230 | R | 87.9 | Confident | 78.8 | Confident | 108 Ų | 108 | 57.8 Ų | 57.8 | 41% | 0.408 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -62.5 | -26.7 | 176.6 | 177.7 | 55.8 | -173.6 | 75.3 | 1.5 | 113.3 | A206 D210 Q228 F232 P234 | A206-R230 HydrophobicContact CB-CG 4.47Å; D210-R230 IonicContact OD1-CZ 2.91Å; D210-R230 IonicContact OD1-NH1 2.62Å; D210-R230 PolarHBondContact OD1-NH1 3.07Å; D210-R230 IonicContact OD1-NH2 2.73Å; D210-R230 PolarHBondContact OD1-NH2 3.25Å; D210-R230 IonicContact OD2-CZ 2.77Å; D210-R230 IonicContact OD2-NH1 3.67Å; D210-R230 IonicContact OD2-NH2 3.76Å; D210-R230 PolarHBondContact OD2-NH2 3.08Å; Q228-R230 PolarHBondContact O-N 2.72Å; R230-F232 VanDerWaalsContact C-N 3.34Å; R230-F232 PolarHBondContact O-N 2.97Å; R230-P234 VanDerWaalsContact NH1-CG 3.31Å; R230-P234 WeakPolarHBondContact O-CD 3.44Å |
| 231 | M | 87.7 | Confident | 79.7 | Confident | 1 Ų | 1 | 57.3 Ų | 57.3 | 1% | 0.005 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -64.9 | -37.6 | 179.8 | -66.1 | 169 | 176.4 | 0 | 0 | 112.4 | I204 N226 Q228 Q229 | I204-M231 VanDerWaalsContact O-CE 3.23Å; I204-M231 WeakPolarHBondContact O-CE 3.29Å; N226-M231 WeakPolarHBondContact O-CE 3.37Å; Q228-M231 HydrophobicContact CB-CE 4.27Å; Q228-M231 HydrophobicContact CB-CG 4.37Å; Q228-M231 HydrophobicContact CB-SD 4.4Å; Q228-M231 HydrophobicContact CG-CE 4.45Å; Q228-M231 PolarHBondContact N-SD 3.15Å; Q228-M231 VanDerWaalsContact O-CB 3.31Å; Q228-M231 WeakPolarHBondContact O-CB 3.35Å; Q228-M231 WeakPolarHBondContact O-CG 3.44Å; Q228-M231 PolarHBondContact O-N 3.34Å; Q229-M231 PolarHBondContact O-N 2.86Å |
| 232 | F | 87.7 | Confident | 80.7 | Confident | 0 Ų | 0 | 59.8 Ų | 59.8 | 0% | 0 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -100.7 | -18 | -174 | -49.1 | -65.3 | 0 | 0 | 0 | 113.5 | F209 L218 I227 Q229 R230 P234 L235 I241 F243 A252 H254 | F209-F232 HydrophobicContact CE2-CE1 4.46Å; L218-F232 HydrophobicContact CD2-CD1 4.45Å; L218-F232 HydrophobicContact CD2-CE1 3.96Å; I227-F232 HydrophobicContact CG2-CE2 3.67Å; I227-F232 HydrophobicContact CG2-CZ 4.25Å; Q229-F232 PolarHBondContact O-N 2.91Å; R230-F232 VanDerWaalsContact C-N 3.34Å; R230-F232 PolarHBondContact O-N 2.97Å; F232-P234 VanDerWaalsContact C-N 3.34Å; F232-L235 HydrophobicContact CD1-CD1 4.27Å; F232-L235 WeakPolarHBondContact O-CB 3.15Å; F232-L235 PolarHBondContact O-N 2.95Å; F232-I241 HydrophobicContact CD1-CD1 3.81Å; F232-I241 HydrophobicContact CE1-CD1 3.64Å; F232-I241 HydrophobicContact CG-CD1 4.47Å; F232-I241 HydrophobicContact CZ-CD1 4.17Å; F232-F243 HydrophobicContact CD2-CZ 4.42Å; F232-F243 HydrophobicContact CE1-CE1 4.36Å; F232-F243 HydrophobicContact CE1-CZ 4.31Å; F232-F243 HydrophobicContact CE2-CE1 4.08Å; F232-F243 AromaticContact CE2-CZ 3.72Å; F232-F243 HydrophobicContact CE2-CZ 3.72Å; F232-F243 AromaticContact CZ-CE1 3.66Å; F232-F243 HydrophobicContact CZ-CE1 3.66Å; F232-F243 AromaticContact CZ-CZ 3.68Å; F232-F243 HydrophobicContact CZ-CZ 3.68Å; F232-A252 HydrophobicContact CB-CB 3.93Å; F232-A252 HydrophobicContact CD2-CB 4.07Å; F232-A252 HydrophobicContact CG-CB 4.05Å; F232-H254 PolarHBondContact O-CE1 3Å; F232-H254 PolarHBondContact O-NE2 3.48Å |
| 233 | R | 86 | Confident | 81.6 | Confident | 180 Ų | 180 | 60.1 Ų | 60.1 | 68% | 0.679 | 29% | 0.29 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53.1 | -35.7 | -180 | -171.3 | 177.9 | -179.4 | -171.4 | 0.4 | 115.2 | Q229 L235 M236 | Q229-R233 PolarHBondContact O-N 3.19Å; R233-L235 VanDerWaalsContact C-N 3.31Å; R233-M236 WeakPolarHBondContact O-CE 3.19Å |
| 234 | P | 87.1 | Confident | 82.3 | Confident | 37 Ų | 37 | 58.9 Ų | 58.9 | 24% | 0.24 | 28% | 0.283 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -73.2 | -21 | 176.2 | -17.3 | 31.5 | 0 | 0 | 0 | 114 | D210 R230 F232 M236 | D210-P234 WeakPolarHBondContact OD1-CG 3.43Å; R230-P234 VanDerWaalsContact NH1-CG 3.31Å; R230-P234 WeakPolarHBondContact O-CD 3.44Å; F232-P234 VanDerWaalsContact C-N 3.34Å; P234-M236 VanDerWaalsContact C-N 3.26Å; P234-M236 PolarHBondContact O-N 3.45Å |
| 235 | L | 89 | Confident | 82.7 | Confident | 2 Ų | 2 | 61.5 Ų | 61.5 | 1% | 0.01 | 29% | 0.294 | C | S | . | . | trans | -83.8 | 66.9 | -170.2 | -55.9 | 176.8 | 0 | 0 | 0 | 110.8 | F209 L212 L215 F232 R233 N237 L238 H254 | F209-L235 HydrophobicContact CB-CD1 4.01Å; F209-L235 HydrophobicContact CB-CD2 4.06Å; F209-L235 HydrophobicContact CB-CG 4.36Å; F209-L235 HydrophobicContact CG-CD1 4.49Å; F209-L235 WeakPolarHBondContact O-CD2 3.27Å; L212-L235 HydrophobicContact CB-CD2 4.06Å; L212-L235 WeakPolarHBondContact O-CD2 3.36Å; L215-L235 HydrophobicContact CB-CD2 4.39Å; L215-L235 HydrophobicContact CD2-CD1 4.22Å; L215-L235 HydrophobicContact CD2-CD2 4.39Å; F232-L235 HydrophobicContact CD1-CD1 4.27Å; F232-L235 WeakPolarHBondContact O-CB 3.15Å; F232-L235 PolarHBondContact O-N 2.95Å; R233-L235 VanDerWaalsContact C-N 3.31Å; L235-N237 VanDerWaalsContact C-N 3.27Å; L235-N237 PolarHBondContact O-N 3.39Å; L235-L238 HydrophobicContact CB-CB 3.88Å; L235-L238 HydrophobicContact CB-CD2 4.17Å; L235-L238 HydrophobicContact CD1-CD2 4.01Å; L235-L238 WeakPolarHBondContact O-CB 3.25Å; L235-L238 PolarHBondContact O-N 3.37Å; L235-H254 PolarHBondContact O-NE2 3.22Å | ||
| 236 | M | 85.9 | Confident | 83.3 | Confident | 137 Ų | 137 | 57.6 Ų | 57.6 | 68% | 0.675 | 27% | 0.265 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.2 | -26.8 | -174.8 | -61.6 | -61 | 178.6 | 0 | 0 | 113.7 | R233 P234 L238 | R233-M236 WeakPolarHBondContact O-CE 3.19Å; P234-M236 VanDerWaalsContact C-N 3.26Å; P234-M236 PolarHBondContact O-N 3.45Å; M236-L238 VanDerWaalsContact C-N 3.34Å |
| 237 | N | 89.5 | Confident | 83.3 | Confident | 97 Ų | 97 | 56.8 Ų | 56.8 | 52% | 0.519 | 26% | 0.26 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -88 | -0.1 | 178.2 | -71.7 | -41.1 | 0 | 0 | 0 | 113.6 | V213 L215 L235 S239 | V213-N237 PolarHBondContact O-ND2 3.46Å; L215-N237 CarbonylContact O-C 3.42Å; L235-N237 VanDerWaalsContact C-N 3.27Å; L235-N237 PolarHBondContact O-N 3.39Å; N237-S239 PolarHBondContact O-N 2.95Å; N237-S239 VanDerWaalsContact O-N 3.15Å |
| 238 | L | 88.2 | Confident | 83.3 | Confident | 5 Ų | 5 | 58.1 Ų | 58.1 | 3% | 0.026 | 26% | 0.264 | C | S | . | . | trans | -69.6 | 112.9 | -175.5 | -173.9 | 64 | 0 | 0 | 0 | 110.3 | L215 L218 L235 M236 H240 I241 V255 | L215-L238 HydrophobicContact CD2-CD1 4.45Å; L215-L238 HydrophobicContact CG-CD1 4.48Å; L215-L238 VanDerWaalsContact O-CA 3.29Å; L215-L238 WeakPolarHBondContact O-CA 3.25Å; L215-L238 PolarHBondContact O-N 3.29Å; L218-L238 HydrophobicContact CB-CD1 4Å; L235-L238 HydrophobicContact CB-CB 3.88Å; L235-L238 HydrophobicContact CB-CD2 4.17Å; L235-L238 HydrophobicContact CD1-CD2 4.01Å; L235-L238 WeakPolarHBondContact O-CB 3.25Å; L235-L238 PolarHBondContact O-N 3.37Å; M236-L238 VanDerWaalsContact C-N 3.34Å; L238-H240 WeakPolarHBondContact CD1-O 3.32Å; L238-I241 HydrophobicContact CD2-CB 4.39Å; L238-I241 HydrophobicContact CD2-CD1 4.02Å; L238-V255 HydrophobicContact CB-CG2 4.09Å; L238-V255 HydrophobicContact CD2-CG2 3.64Å; L238-V255 HydrophobicContact CG-CG1 4.27Å; L238-V255 HydrophobicContact CG-CG2 3.79Å | ||
| 239 | S | 86.6 | Confident | 83.2 | Confident | 36 Ų | 36 | 53.8 Ų | 53.8 | 25% | 0.252 | 24% | 0.244 | S | C | . | . | trans | -102.6 | -31.4 | -174.2 | 66.2 | 0 | 0 | 0 | 0 | 112.6 | K216 N237 S257 | K216-S239 PolarHBondContact O-N 2.86Å; K216-S239 PolarHBondContact O-OG 3.46Å; N237-S239 PolarHBondContact O-N 2.95Å; N237-S239 VanDerWaalsContact O-N 3.15Å; S239-S257 WeakPolarHBondContact O-CB 3.39Å; S239-S257 PolarHBondContact O-N 3.28Å | ||
| 240 | H | 86.7 | Confident | 83 | Confident | 77 Ų | 77 | 49.5 Ų | 49.5 | 36% | 0.356 | 23% | 0.232 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.9 | 127.9 | -177.6 | -64.5 | 81 | 0 | 0 | 0 | 110.1 | K216 S217 L218 L238 Y242 S257 | K216-H240 PolarHBondContact O-N 3.21Å; S217-H240 WeakPolarHBondContact CA-O 3.26Å; L218-H240 PolarHBondContact N-O 3.37Å; L218-H240 VanDerWaalsContact N-O 3.09Å; L238-H240 WeakPolarHBondContact CD1-O 3.32Å; H240-Y242 HydrophobicContact CB-CE2 4.17Å; H240-S257 WeakPolarHBondContact CA-O 3.44Å; H240-S257 VanDerWaalsContact CD2-CB 3.47Å; H240-S257 WeakPolarHBondContact CD2-CB 3.4Å |
| 241 | I | 85.4 | Confident | 82.7 | Confident | 0 Ų | 0 | 46.8 Ų | 46.8 | 0% | 0 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.3 | 140.5 | 170.2 | -166.1 | 161.5 | 0 | 0 | 0 | 110.2 | L218 F232 L238 F243 V255 S257 C258 K259 | L218-I241 HydrophobicContact CB-CG1 4.37Å; L218-I241 HydrophobicContact CD2-CD1 4.08Å; F232-I241 HydrophobicContact CD1-CD1 3.81Å; F232-I241 HydrophobicContact CE1-CD1 3.64Å; F232-I241 HydrophobicContact CG-CD1 4.47Å; F232-I241 HydrophobicContact CZ-CD1 4.17Å; L238-I241 HydrophobicContact CD2-CB 4.39Å; L238-I241 HydrophobicContact CD2-CD1 4.02Å; I241-F243 HydrophobicContact CD1-CE1 3.71Å; I241-F243 HydrophobicContact CD1-CE2 3.87Å; I241-F243 HydrophobicContact CD1-CZ 3.28Å; I241-F243 HydrophobicContact CG1-CE1 4.11Å; I241-F243 HydrophobicContact CG1-CE2 4.07Å; I241-F243 HydrophobicContact CG1-CZ 3.86Å; I241-F243 HydrophobicContact CG2-CD2 4.41Å; I241-F243 HydrophobicContact CG2-CE2 3.96Å; I241-V255 HydrophobicContact CB-CG1 4.21Å; I241-V255 HydrophobicContact CG2-CB 4.21Å; I241-V255 HydrophobicContact CG2-CG1 3.77Å; I241-V255 HydrophobicContact CG2-CG2 4.42Å; I241-S257 PolarHBondContact N-O 2.87Å; I241-C258 HydrophobicContact CG2-CB 3.88Å; I241-C258 VanDerWaalsContact CG2-SG 3.57Å; I241-C258 WeakPolarHBondContact O-CA 3.41Å; I241-K259 PolarHBondContact O-N 2.89Å |
| 242 | Y | 81.3 | Confident | 82.4 | Confident | 83 Ų | 83 | 46.9 Ų | 46.9 | 33% | 0.325 | 22% | 0.223 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.3 | 125 | 179.2 | -61.3 | -102.6 | 0 | 0 | 0 | 107.7 | L218 L219 E220 H240 K259 | L218-Y242 PolarHBondContact O-N 2.97Å; L219-Y242 HydrophobicContact CD2-CD2 3.65Å; L219-Y242 HydrophobicContact CD2-CE2 3.62Å; L219-Y242 HydrophobicContact CD2-CG 4.28Å; L219-Y242 HydrophobicContact CG-CD2 4.24Å; L219-Y242 HydrophobicContact CG-CE2 4.33Å; E220-Y242 CarbonylContact C-O 3.35Å; E220-Y242 VanDerWaalsContact CB-O 3.27Å; E220-Y242 WeakPolarHBondContact CB-O 3.2Å; E220-Y242 CarbonylContact O-C 3.03Å; H240-Y242 HydrophobicContact CB-CE2 4.17Å; Y242-K259 HydrophobicContact CD1-CB 3.6Å; Y242-K259 HydrophobicContact CD1-CG 3.85Å; Y242-K259 HydrophobicContact CE1-CB 4.07Å; Y242-K259 HydrophobicContact CE1-CG 3.76Å; Y242-K259 HydrophobicContact CG-CB 4.25Å |
| 243 | F | 78.9 | Confident | 81.9 | Confident | 12 Ų | 12 | 51.2 Ų | 51.2 | 5% | 0.053 | 25% | 0.251 | C | S | . | . | trans | -118.7 | 164 | 176.6 | -71.4 | -55.1 | 0 | 0 | 0 | 110.2 | I227 F232 I241 Y248 C258 K259 P260 | I227-F243 HydrophobicContact CD1-CD1 4.47Å; I227-F243 HydrophobicContact CD1-CE1 4.45Å; F232-F243 HydrophobicContact CD2-CZ 4.42Å; F232-F243 HydrophobicContact CE1-CE1 4.36Å; F232-F243 HydrophobicContact CE1-CZ 4.31Å; F232-F243 HydrophobicContact CE2-CE1 4.08Å; F232-F243 AromaticContact CE2-CZ 3.72Å; F232-F243 HydrophobicContact CE2-CZ 3.72Å; F232-F243 AromaticContact CZ-CE1 3.66Å; F232-F243 HydrophobicContact CZ-CE1 3.66Å; F232-F243 AromaticContact CZ-CZ 3.68Å; F232-F243 HydrophobicContact CZ-CZ 3.68Å; I241-F243 HydrophobicContact CD1-CE1 3.71Å; I241-F243 HydrophobicContact CD1-CE2 3.87Å; I241-F243 HydrophobicContact CD1-CZ 3.28Å; I241-F243 HydrophobicContact CG1-CE1 4.11Å; I241-F243 HydrophobicContact CG1-CE2 4.07Å; I241-F243 HydrophobicContact CG1-CZ 3.86Å; I241-F243 HydrophobicContact CG2-CD2 4.41Å; I241-F243 HydrophobicContact CG2-CE2 3.96Å; F243-Y248 HydrophobicContact CB-CD2 4.22Å; F243-Y248 VanDerWaalsContact CE2-O 3.22Å; F243-Y248 WeakPolarHBondContact CE2-O 3.48Å; F243-C258 VanDerWaalsContact CD2-SG 3.58Å; F243-K259 PolarHBondContact N-O 3.19Å; F243-P260 WeakPolarHBondContact O-CD 3.2Å | ||
| 244 | K | 72.9 | Confident | 81.8 | Confident | 88 Ų | 88 | 46.4 Ų | 46.4 | 38% | 0.383 | 24% | 0.236 | S | C | . | . | S | Bend | trans | -70.5 | -42.3 | 170.3 | -175.2 | 169.2 | -178.2 | 165 | 0 | 112.6 | E223 T440 | E223-K244 HydrophobicContact CG-CD 3.82Å; E223-K244 IonicContact OE1-NZ 3.57Å; E223-K244 PolarHBondContact OE1-NZ 3.47Å; K244-T440 VanDerWaalsContact NZ-CG2 3.31Å |
| 245 | K | 73.4 | Confident | 81.7 | Confident | 57 Ų | 57 | 45.3 Ų | 45.3 | 25% | 0.248 | 23% | 0.229 | C | C | . | . | S | Bend | trans | -114.2 | 138.1 | -175.4 | -60.1 | -164.4 | 173.2 | -158.7 | 0 | 111.4 | Q247 Y248 E438 | K245-Q247 VanDerWaalsContact C-N 3.26Å; K245-Q247 HydrophobicContact CB-CG 4.16Å; K245-Q247 PolarHBondContact O-N 2.86Å; K245-Y248 HydrophobicContact CB-CD2 3.93Å; K245-Y248 HydrophobicContact CB-CE2 3.91Å; K245-Y248 HydrophobicContact CB-CG 4.24Å; K245-Y248 HydrophobicContact CD-CE2 4.45Å; K245-Y248 HydrophobicContact CG-CE2 4.05Å; K245-Y248 WeakPolarHBondContact O-CB 3.31Å; K245-Y248 PolarHBondContact O-N 2.99Å; K245-Y248 VanDerWaalsContact O-N 3.1Å; K245-E438 IonicContact NZ-OE2 2.96Å |
| 246 | F | 76.5 | Confident | 81.3 | Confident | 14 Ų | 14 | 56.8 Ų | 56.8 | 6% | 0.061 | 27% | 0.272 | C | S | . | . | G | 310 helix | trans | -57.4 | -38.9 | -178 | 82.5 | -84.6 | 0 | 0 | 0 | 112.4 | Y248 C249 P260 D263 Y341 N342 A345 M349 | F246-Y248 PolarHBondContact O-N 3.11Å; F246-Y248 VanDerWaalsContact O-N 3.09Å; F246-C249 VanDerWaalsContact O-CB 3.28Å; F246-C249 WeakPolarHBondContact O-CB 3.26Å; F246-C249 PolarHBondContact O-N 3.11Å; F246-C249 PolarHBondContact O-SG 2.03Å; F246-P260 HydrophobicContact CB-CG 4.11Å; F246-P260 WeakPolarHBondContact CB-O 3.47Å; F246-D263 HydrophobicContact CD1-CB 3.71Å; F246-D263 HydrophobicContact CE1-CB 3.84Å; F246-D263 WeakPolarHBondContact CE1-OD2 3.38Å; F246-Y341 HydrophobicContact CE2-CD1 4.43Å; F246-Y341 AromaticContact CE2-CE1 3.82Å; F246-Y341 HydrophobicContact CE2-CE1 3.82Å; F246-Y341 HydrophobicContact CZ-CE1 4.07Å; F246-N342 PolarHBondContact O-OD1 2.81Å; F246-A345 HydrophobicContact CE2-CB 3.93Å; F246-A345 HydrophobicContact CZ-CB 4.25Å; F246-M349 HydrophobicContact CE1-CE 4.08Å; F246-M349 HydrophobicContact CZ-CE 3.74Å; F246-M349 HydrophobicContact CZ-SD 4.39Å |
| 247 | Q | 74.8 | Confident | 81.1 | Confident | 32 Ų | 32 | 51.8 Ų | 51.8 | 15% | 0.15 | 25% | 0.251 | C | S | . | . | G | 310 helix | trans | -58.8 | -24.2 | -179.8 | 73.8 | -172.2 | 40.4 | 0 | 0 | 113.7 | K245 C249 G250 M349 | K245-Q247 VanDerWaalsContact C-N 3.26Å; K245-Q247 HydrophobicContact CB-CG 4.16Å; K245-Q247 PolarHBondContact O-N 2.86Å; Q247-C249 PolarHBondContact O-N 2.9Å; Q247-G250 PolarHBondContact O-N 3.31Å; Q247-G250 VanDerWaalsContact O-N 3.1Å; Q247-M349 HydrophobicContact CB-CE 4.14Å |
| 248 | Y | 80.1 | Confident | 80.7 | Confident | 42 Ų | 42 | 47.7 Ų | 47.7 | 17% | 0.165 | 23% | 0.229 | C | C | . | . | G | 310 helix | trans | -70.7 | -17.6 | -179.9 | -62 | -21.9 | 0 | 0 | 0 | 112.7 | I227 F243 K245 F246 G250 Y251 | I227-Y248 HydrophobicContact CD1-CD1 4.04Å; I227-Y248 HydrophobicContact CD1-CD2 3.38Å; I227-Y248 HydrophobicContact CD1-CE1 4.28Å; I227-Y248 HydrophobicContact CD1-CE2 3.67Å; I227-Y248 HydrophobicContact CD1-CG 3.59Å; F243-Y248 HydrophobicContact CB-CD2 4.22Å; F243-Y248 VanDerWaalsContact CE2-O 3.22Å; F243-Y248 WeakPolarHBondContact CE2-O 3.48Å; K245-Y248 HydrophobicContact CB-CD2 3.93Å; K245-Y248 HydrophobicContact CB-CE2 3.91Å; K245-Y248 HydrophobicContact CB-CG 4.24Å; K245-Y248 HydrophobicContact CD-CE2 4.45Å; K245-Y248 HydrophobicContact CG-CE2 4.05Å; K245-Y248 WeakPolarHBondContact O-CB 3.31Å; K245-Y248 PolarHBondContact O-N 2.99Å; K245-Y248 VanDerWaalsContact O-N 3.1Å; F246-Y248 PolarHBondContact O-N 3.11Å; F246-Y248 VanDerWaalsContact O-N 3.09Å; Y248-G250 PolarHBondContact O-N 3.36Å; Y248-G250 VanDerWaalsContact O-N 3.1Å; Y248-Y251 HydrophobicContact CD1-CD2 4.33Å; Y248-Y251 AromaticContact CD1-CE2 3.92Å; Y248-Y251 HydrophobicContact CD1-CE2 3.92Å; Y248-Y251 WeakPolarHBondContact O-CB 3.36Å; Y248-Y251 WeakPolarHBondContact O-CD2 3.43Å; Y248-Y251 PolarHBondContact O-N 3.17Å |
| 249 | C | 80 | Confident | 80.3 | Confident | 4 Ų | 4 | 51.7 Ų | 51.7 | 3% | 0.027 | 25% | 0.246 | C | C | . | . | G | 310 helix | trans | -56.7 | -23.7 | 168.4 | -66.5 | 0 | 0 | 0 | 0 | 112.8 | F246 Q247 Y251 A252 C258 L268 N342 | F246-C249 VanDerWaalsContact O-CB 3.28Å; F246-C249 WeakPolarHBondContact O-CB 3.26Å; F246-C249 PolarHBondContact O-N 3.11Å; F246-C249 PolarHBondContact O-SG 2.03Å; Q247-C249 PolarHBondContact O-N 2.9Å; C249-Y251 PolarHBondContact O-N 3Å; C249-A252 PolarHBondContact O-N 3.2Å; C249-C258 WeakPolarHBondContact CA-SG 2.99Å; C249-C258 HydrophobicContact CB-CB 3.78Å; C249-C258 WeakPolarHBondContact CB-SG 3.45Å; C249-C258 WeakPolarHBondContact SG-CB 3.28Å; C249-C258 CovalentContact SG-SG 2.03Å; C249-C258 PolarHBondContact SG-SG 3.44Å; C249-L268 HydrophobicContact CB-CD2 3.84Å; C249-N342 VanDerWaalsContact C-ND2 3.32Å |
| 250 | G | 77.1 | Confident | 79.7 | Confident | 28 Ų | 28 | 52 Ų | 52 | 29% | 0.289 | 25% | 0.247 | S | C | . | . | G | 310 helix | trans | -61.1 | -24.5 | 173 | 0 | 0 | 0 | 0 | 0 | 114.4 | Q247 Y248 N342 | Q247-G250 PolarHBondContact O-N 3.31Å; Q247-G250 VanDerWaalsContact O-N 3.1Å; Y248-G250 PolarHBondContact O-N 3.36Å; Y248-G250 VanDerWaalsContact O-N 3.1Å; G250-N342 PolarHBondContact N-ND2 3.03Å; G250-N342 VanDerWaalsContact N-ND2 3.18Å |
| 251 | Y | 80.9 | Confident | 78.8 | Confident | 51 Ų | 51 | 51.4 Ų | 51.4 | 20% | 0.2 | 25% | 0.247 | C | C | . | . | G | 310 helix | trans | -79.8 | -14 | 178.8 | -65.5 | -68.5 | 0 | 0 | 0 | 114.3 | I227 Q229 Y248 C249 Q346 | I227-Y251 HydrophobicContact CB-CD2 4.03Å; I227-Y251 HydrophobicContact CB-CE2 3.96Å; I227-Y251 HydrophobicContact CG2-CD1 4.27Å; I227-Y251 HydrophobicContact CG2-CD2 3.33Å; I227-Y251 HydrophobicContact CG2-CE2 3.8Å; I227-Y251 HydrophobicContact CG2-CG 3.6Å; Q229-Y251 HydrophobicContact CB-CD1 4.27Å; Q229-Y251 WeakPolarHBondContact CG-O 3.43Å; Y248-Y251 HydrophobicContact CD1-CD2 4.33Å; Y248-Y251 AromaticContact CD1-CE2 3.92Å; Y248-Y251 HydrophobicContact CD1-CE2 3.92Å; Y248-Y251 WeakPolarHBondContact O-CB 3.36Å; Y248-Y251 WeakPolarHBondContact O-CD2 3.43Å; Y248-Y251 PolarHBondContact O-N 3.17Å; C249-Y251 PolarHBondContact O-N 3Å; Y251-Q346 PolarHBondContact OH-NE2 3.24Å; Y251-Q346 PolarHBondContact OH-OE1 2.92Å |
| 252 | A | 82.5 | Confident | 78.2 | Confident | 2 Ų | 2 | 54.3 Ų | 54.3 | 2% | 0.017 | 27% | 0.265 | C | S | . | . | trans | -132.9 | 58 | -177.4 | 0 | 0 | 0 | 0 | 0 | 111.8 | F232 C249 H254 V255 | F232-A252 HydrophobicContact CB-CB 3.93Å; F232-A252 HydrophobicContact CD2-CB 4.07Å; F232-A252 HydrophobicContact CG-CB 4.05Å; C249-A252 PolarHBondContact O-N 3.2Å; A252-H254 PolarHBondContact O-N 3.46Å; A252-H254 VanDerWaalsContact O-N 3.13Å; A252-V255 HydrophobicContact CB-CB 4.48Å; A252-V255 HydrophobicContact CB-CG2 3.77Å; A252-V255 WeakPolarHBondContact O-CB 3.3Å; A252-V255 PolarHBondContact O-N 3.13Å; A252-V255 VanDerWaalsContact O-N 3.09Å | ||
| 253 | P | 77.9 | Confident | 77.7 | Confident | 92 Ų | 92 | 52.3 Ų | 52.3 | 60% | 0.597 | 26% | 0.26 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69 | -13.3 | -169.5 | 30.3 | -37.6 | 0 | 0 | 0 | 114.5 | ||
| 254 | H | 83.6 | Confident | 77.3 | Confident | 79 Ų | 79 | 52.3 Ų | 52.3 | 37% | 0.366 | 26% | 0.264 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -83.5 | -9.9 | 175.4 | 63.1 | -72.3 | 0 | 0 | 0 | 113.4 | F232 L235 A252 | F232-H254 PolarHBondContact O-CE1 3Å; F232-H254 PolarHBondContact O-NE2 3.48Å; L235-H254 PolarHBondContact O-NE2 3.22Å; A252-H254 PolarHBondContact O-N 3.46Å; A252-H254 VanDerWaalsContact O-N 3.13Å |
| 255 | V | 84.5 | Confident | 77.5 | Confident | 14 Ų | 14 | 48.4 Ų | 48.4 | 9% | 0.085 | 25% | 0.247 | C | C | . | . | trans | -82.4 | 123.7 | -176.6 | -177.7 | 0 | 0 | 0 | 0 | 110.5 | L238 I241 A252 S257 | L238-V255 HydrophobicContact CB-CG2 4.09Å; L238-V255 HydrophobicContact CD2-CG2 3.64Å; L238-V255 HydrophobicContact CG-CG1 4.27Å; L238-V255 HydrophobicContact CG-CG2 3.79Å; I241-V255 HydrophobicContact CB-CG1 4.21Å; I241-V255 HydrophobicContact CG2-CB 4.21Å; I241-V255 HydrophobicContact CG2-CG1 3.77Å; I241-V255 HydrophobicContact CG2-CG2 4.42Å; A252-V255 HydrophobicContact CB-CB 4.48Å; A252-V255 HydrophobicContact CB-CG2 3.77Å; A252-V255 WeakPolarHBondContact O-CB 3.3Å; A252-V255 PolarHBondContact O-N 3.13Å; A252-V255 VanDerWaalsContact O-N 3.09Å; V255-S257 VanDerWaalsContact C-N 3.35Å; V255-S257 PolarHBondContact O-N 3.26Å | ||
| 256 | R | 80.2 | Confident | 77.9 | Confident | 242 Ų | 242 | 45.7 Ų | 45.7 | 91% | 0.913 | 24% | 0.235 | S | C | * | . | S | Bend | trans | -64.1 | -34.4 | -174.2 | -174.2 | 177.8 | -179.7 | -178.3 | 1.1 | 113.9 | ||
| 257 | S | 82.8 | Confident | 78.3 | Confident | 33 Ų | 33 | 46.2 Ų | 46.2 | 23% | 0.231 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.4 | 104.8 | -178.1 | -166.4 | 0 | 0 | 0 | 0 | 109.8 | S239 H240 I241 V255 | S239-S257 WeakPolarHBondContact O-CB 3.39Å; S239-S257 PolarHBondContact O-N 3.28Å; H240-S257 WeakPolarHBondContact CA-O 3.44Å; H240-S257 VanDerWaalsContact CD2-CB 3.47Å; H240-S257 WeakPolarHBondContact CD2-CB 3.4Å; I241-S257 PolarHBondContact N-O 2.87Å; V255-S257 VanDerWaalsContact C-N 3.35Å; V255-S257 PolarHBondContact O-N 3.26Å |
| 258 | C | 81.3 | Confident | 78.4 | Confident | 11 Ų | 11 | 47.1 Ų | 47.1 | 7% | 0.074 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.1 | 132.8 | 174.4 | -172 | 0 | 0 | 0 | 0 | 110.7 | I241 F243 C249 | I241-C258 HydrophobicContact CG2-CB 3.88Å; I241-C258 VanDerWaalsContact CG2-SG 3.57Å; I241-C258 WeakPolarHBondContact O-CA 3.41Å; F243-C258 VanDerWaalsContact CD2-SG 3.58Å; C249-C258 WeakPolarHBondContact CA-SG 2.99Å; C249-C258 HydrophobicContact CB-CB 3.78Å; C249-C258 WeakPolarHBondContact CB-SG 3.45Å; C249-C258 WeakPolarHBondContact SG-CB 3.28Å; C249-C258 CovalentContact SG-SG 2.03Å; C249-C258 PolarHBondContact SG-SG 3.44Å |
| 259 | K | 78.1 | Confident | 78.6 | Confident | 88 Ų | 88 | 50.9 Ų | 50.9 | 38% | 0.383 | 27% | 0.265 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.2 | 145.4 | -176.8 | -70.4 | -90.9 | 169.5 | -166.8 | 0 | 110.1 | I241 Y242 F243 N261 | I241-K259 PolarHBondContact O-N 2.89Å; Y242-K259 HydrophobicContact CD1-CB 3.6Å; Y242-K259 HydrophobicContact CD1-CG 3.85Å; Y242-K259 HydrophobicContact CE1-CB 4.07Å; Y242-K259 HydrophobicContact CE1-CG 3.76Å; Y242-K259 HydrophobicContact CG-CB 4.25Å; F243-K259 PolarHBondContact N-O 3.19Å; K259-N261 WeakPolarHBondContact CD-OD1 3.46Å; K259-N261 WeakPolarHBondContact CE-OD1 3.45Å; K259-N261 PolarHBondContact NZ-OD1 2.8Å |
| 260 | P | 74.4 | Confident | 79 | Confident | 42 Ų | 42 | 51.3 Ų | 51.3 | 27% | 0.273 | 27% | 0.267 | S | S | . | . | cis | -74.4 | 146.5 | -6.3 | 31.3 | -36.3 | 0 | 0 | 0 | 112.3 | F243 F246 T262 | F243-P260 WeakPolarHBondContact O-CD 3.2Å; F246-P260 HydrophobicContact CB-CG 4.11Å; F246-P260 WeakPolarHBondContact CB-O 3.47Å; P260-T262 PolarHBondContact O-N 3.3Å | ||
| 261 | N | 69 | Low | 79.6 | Confident | 65 Ų | 65 | 50 Ų | 50 | 35% | 0.348 | 25% | 0.253 | S | S | . | . | trans | -77.1 | -7.4 | -178.8 | -56 | 61.7 | 0 | 0 | 0 | 113.6 | K259 L268 | K259-N261 WeakPolarHBondContact CD-OD1 3.46Å; K259-N261 WeakPolarHBondContact CE-OD1 3.45Å; K259-N261 PolarHBondContact NZ-OD1 2.8Å; N261-L268 HydrophobicContact CB-CD1 4.35Å; N261-L268 PolarHBondContact O-N 3.45Å | ||
| 262 | T | 72.2 | Confident | 80 | Confident | 62 Ų | 62 | 47.6 Ų | 47.6 | 38% | 0.38 | 24% | 0.244 | S | C | . | . | B | Isolated β-bridge | trans | -164.7 | 148.6 | -167.6 | -178 | 0 | 0 | 0 | 0 | 110.2 | P260 G264 S266 | P260-T262 PolarHBondContact O-N 3.3Å; T262-G264 VanDerWaalsContact C-N 3.29Å; T262-G264 WeakPolarHBondContact OG1-CA 3.42Å; T262-G264 PolarHBondContact OG1-N 3.16Å; T262-S266 VanDerWaalsContact CA-O 3.31Å; T262-S266 WeakPolarHBondContact CA-O 3.36Å; T262-S266 WeakPolarHBondContact CB-O 3.49Å; T262-S266 PolarHBondContact OG1-O 3.1Å |
| 263 | D | 70.8 | Confident | 80.1 | Confident | 40 Ų | 40 | 49.6 Ų | 49.6 | 21% | 0.214 | 26% | 0.261 | C | S | . | . | S | Bend | trans | -91.2 | 9.3 | 162.5 | 59.8 | -1.5 | 0 | 0 | 0 | 111.8 | F246 I265 S266 | F246-D263 HydrophobicContact CD1-CB 3.71Å; F246-D263 HydrophobicContact CE1-CB 3.84Å; F246-D263 WeakPolarHBondContact CE1-OD2 3.38Å; D263-I265 VanDerWaalsContact C-N 3.29Å; D263-I265 PolarHBondContact O-N 3.29Å; D263-I265 WeakPolarHBondContact OD1-CA 3.45Å; D263-I265 PolarHBondContact OD1-N 2.64Å; D263-S266 WeakPolarHBondContact OD1-CA 3.43Å; D263-S266 WeakPolarHBondContact OD1-CB 3.41Å; D263-S266 PolarHBondContact OD1-N 3.44Å |
| 264 | G | 70.2 | Confident | 80.5 | Confident | 13 Ų | 13 | 47 Ų | 47 | 13% | 0.134 | 24% | 0.244 | C | C | . | . | S | Bend | trans | 84.4 | -10.6 | -172.3 | 0 | 0 | 0 | 0 | 0 | 114.8 | T262 G528 T529 | T262-G264 VanDerWaalsContact C-N 3.29Å; T262-G264 WeakPolarHBondContact OG1-CA 3.42Å; T262-G264 PolarHBondContact OG1-N 3.16Å; G264-G528 CarbonylContact C-O 3.51Å; G264-G528 CarbonylContact O-C 3.58Å; G264-T529 VanDerWaalsContact O-CA 3.29Å; G264-T529 WeakPolarHBondContact O-CA 3.08Å; G264-T529 PolarHBondContact O-N 3.21Å |
| 265 | I | 76.5 | Confident | 80.8 | Confident | 5 Ų | 5 | 48.6 Ų | 48.6 | 3% | 0.026 | 25% | 0.254 | C | S | . | . | S | Bend | trans | -110.2 | -53.9 | 179.5 | -48.3 | -169.9 | 0 | 0 | 0 | 109.7 | D263 L272 A273 N429 V431 | D263-I265 VanDerWaalsContact C-N 3.29Å; D263-I265 PolarHBondContact O-N 3.29Å; D263-I265 WeakPolarHBondContact OD1-CA 3.45Å; D263-I265 PolarHBondContact OD1-N 2.64Å; I265-L272 HydrophobicContact CG2-CD2 4.46Å; I265-A273 WeakPolarHBondContact O-CB 3.43Å; I265-A273 PolarHBondContact O-N 3.39Å; I265-N429 HydrophobicContact CD1-CB 4.19Å; I265-V431 HydrophobicContact CD1-CG2 3.95Å; I265-V431 HydrophobicContact CG2-CG1 3.61Å; I265-V431 HydrophobicContact CG2-CG2 4.2Å |
| 266 | S | 83.4 | Confident | 81.1 | Confident | 0 Ų | 0 | 52.2 Ų | 52.2 | 0% | 0 | 27% | 0.273 | C | S | . | . | trans | -98.1 | 159.1 | 179.4 | -57 | 0 | 0 | 0 | 0 | 112.3 | T262 D263 L271 Y341 | T262-S266 VanDerWaalsContact CA-O 3.31Å; T262-S266 WeakPolarHBondContact CA-O 3.36Å; T262-S266 WeakPolarHBondContact CB-O 3.49Å; T262-S266 PolarHBondContact OG1-O 3.1Å; D263-S266 WeakPolarHBondContact OD1-CA 3.43Å; D263-S266 WeakPolarHBondContact OD1-CB 3.41Å; D263-S266 PolarHBondContact OD1-N 3.44Å; S266-L271 WeakPolarHBondContact CA-O 3.3Å; S266-L271 WeakPolarHBondContact CB-O 3.31Å; S266-L271 PolarHBondContact OG-O 2.98Å; S266-Y341 VanDerWaalsContact CB-CE1 3.47Å; S266-Y341 WeakPolarHBondContact OG-CE1 3.22Å | ||
| 267 | S | 83.5 | Confident | 81.5 | Confident | 25 Ų | 25 | 41 Ų | 41 | 18% | 0.175 | 23% | 0.231 | C | C | . | . | B | Isolated β-bridge | trans | -121.8 | 167.5 | 168.8 | 65.1 | 0 | 0 | 0 | 0 | 110.2 | E269 N270 | S267-E269 PolarHBondContact O-N 2.89Å; S267-N270 PolarHBondContact N-O 3.41Å; S267-N270 PolarHBondContact O-N 3.5Å; S267-N270 VanDerWaalsContact O-O 3.13Å; S267-N270 PolarHBondContact OG-N 3.05Å; S267-N270 PolarHBondContact OG-O 3.3Å |
| 268 | L | 78.2 | Confident | 82 | Confident | 51 Ų | 51 | 41 Ų | 41 | 27% | 0.267 | 23% | 0.225 | S | C | . | . | S | Bend | trans | -50.4 | -34.3 | 176.2 | -72.3 | 166.9 | 0 | 0 | 0 | 113.3 | C249 N261 N342 | C249-L268 HydrophobicContact CB-CD2 3.84Å; N261-L268 HydrophobicContact CB-CD1 4.35Å; N261-L268 PolarHBondContact O-N 3.45Å; L268-N342 HydrophobicContact CD2-CB 4.05Å; L268-N342 WeakPolarHBondContact O-CB 3.47Å; L268-N342 PolarHBondContact O-N 3.18Å |
| 269 | E | 83.7 | Confident | 82.6 | Confident | 122 Ų | 122 | 44.5 Ų | 44.5 | 57% | 0.57 | 25% | 0.246 | S | C | * | . | S | Bend | trans | -92.7 | -29.2 | -177.9 | -67.7 | 173 | -168.4 | 0 | 0 | 113.9 | S267 G339 E340 Y341 | S267-E269 PolarHBondContact O-N 2.89Å; E269-G339 CarbonylContact O-C 3.47Å; E269-G339 VanDerWaalsContact O-CA 3.28Å; E269-G339 WeakPolarHBondContact O-CA 3.25Å; E269-G339 PolarHBondContact O-N 2.9Å; E269-E340 PolarHBondContact O-N 3.1Å; E269-E340 VanDerWaalsContact O-N 3.11Å; E269-Y341 PolarHBondContact O-N 3.34Å; E269-Y341 VanDerWaalsContact O-N 3.14Å |
| 270 | N | 88.6 | Confident | 83.2 | Confident | 13 Ų | 13 | 43.6 Ų | 43.6 | 7% | 0.07 | 24% | 0.242 | C | C | . | . | trans | -142.3 | 143.4 | -166.2 | -54 | -88.8 | 0 | 0 | 0 | 113 | S267 L272 R278 | S267-N270 PolarHBondContact N-O 3.41Å; S267-N270 PolarHBondContact O-N 3.5Å; S267-N270 VanDerWaalsContact O-O 3.13Å; S267-N270 PolarHBondContact OG-N 3.05Å; S267-N270 PolarHBondContact OG-O 3.3Å; N270-L272 PolarHBondContact O-N 3.25Å; N270-R278 PolarHBondContact ND2-NH2 3.29Å; N270-R278 PolarHBondContact OD1-NH1 2.98Å; N270-R278 PolarHBondContact OD1-NH2 2.93Å | ||
| 271 | L | 89 | Confident | 84.2 | Confident | 0 Ų | 0 | 41.6 Ų | 41.6 | 0% | 0 | 23% | 0.229 | C | C | . | . | S | Bend | trans | -63.3 | -40.1 | 177.9 | -172 | 157.2 | 0 | 0 | 0 | 111.8 | S266 I330 F333 D334 F337 Y341 V431 | S266-L271 WeakPolarHBondContact CA-O 3.3Å; S266-L271 WeakPolarHBondContact CB-O 3.31Å; S266-L271 PolarHBondContact OG-O 2.98Å; L271-I330 HydrophobicContact CD2-CG2 4.05Å; L271-F333 HydrophobicContact CD1-CB 4.21Å; L271-D334 HydrophobicContact CB-CB 4.32Å; L271-F337 HydrophobicContact CD1-CD2 4.23Å; L271-Y341 HydrophobicContact CB-CD2 3.83Å; L271-Y341 HydrophobicContact CB-CE2 3.86Å; L271-Y341 HydrophobicContact CB-CG 4.25Å; L271-Y341 HydrophobicContact CD1-CD2 4.45Å; L271-Y341 HydrophobicContact CD1-CE2 3.87Å; L271-Y341 HydrophobicContact CG-CD2 4.35Å; L271-Y341 HydrophobicContact CG-CE2 3.86Å; L271-V431 HydrophobicContact CD2-CG1 4.18Å |
| 272 | L | 89.4 | Confident | 85.4 | Confident | 1 Ų | 1 | 42.5 Ų | 42.5 | 1% | 0.005 | 23% | 0.228 | C | C | . | . | S | Bend | trans | -108.1 | 114.2 | 169.4 | -62.5 | 171.5 | 0 | 0 | 0 | 109.4 | I265 N270 S274 R278 V281 I330 D334 V431 I536 | I265-L272 HydrophobicContact CG2-CD2 4.46Å; N270-L272 PolarHBondContact O-N 3.25Å; L272-S274 PolarHBondContact O-N 2.95Å; L272-R278 HydrophobicContact CB-CG 3.84Å; L272-R278 HydrophobicContact CD1-CG 4.2Å; L272-R278 VanDerWaalsContact O-CZ 3.23Å; L272-R278 PolarHBondContact O-NE 3.34Å; L272-R278 PolarHBondContact O-NH2 3.28Å; L272-V281 HydrophobicContact CD1-CG2 3.73Å; L272-I330 HydrophobicContact CD1-CG2 4.49Å; L272-D334 HydrophobicContact CD1-CB 4.36Å; L272-D334 PolarHBondContact N-OD1 3.29Å; L272-V431 HydrophobicContact CD2-CG1 3.95Å; L272-I536 HydrophobicContact CD2-CD1 4.24Å; L272-I536 HydrophobicContact CD2-CG1 4.3Å |
| 273 | A | 85.3 | Confident | 86.5 | Confident | 44 Ų | 44 | 43.2 Ų | 43.2 | 36% | 0.364 | 23% | 0.232 | S | C | . | . | trans | -64 | -40.1 | -176.3 | 0 | 0 | 0 | 0 | 0 | 112.6 | I265 R278 | I265-A273 WeakPolarHBondContact O-CB 3.43Å; I265-A273 PolarHBondContact O-N 3.39Å; A273-R278 PolarHBondContact O-NH2 3.35Å | ||
| 274 | S | 87 | Confident | 87.6 | Confident | 36 Ų | 36 | 41.9 Ų | 41.9 | 25% | 0.252 | 23% | 0.225 | S | C | . | . | trans | -89.8 | 130.3 | -175.4 | -178.2 | 0 | 0 | 0 | 0 | 113.3 | L272 I276 Q277 R278 | L272-S274 PolarHBondContact O-N 2.95Å; S274-I276 PolarHBondContact O-N 3.12Å; S274-I276 PolarHBondContact OG-N 3.28Å; S274-Q277 PolarHBondContact O-N 2.93Å; S274-R278 PolarHBondContact O-N 3.47Å | ||
| 275 | I | 89.6 | Confident | 88.8 | Confident | 113 Ų | 113 | 41.3 Ų | 41.3 | 58% | 0.579 | 22% | 0.22 | S | C | * | . | H | α-helix | trans | -57.5 | -33.4 | 170.9 | -170.6 | 59.7 | 0 | 0 | 0 | 112.2 | R278 V279 | I275-R278 PolarHBondContact O-N 2.91Å; I275-V279 WeakPolarHBondContact O-CG2 3.49Å; I275-V279 PolarHBondContact O-N 3.32Å; I275-V279 VanDerWaalsContact O-N 3.12Å |
| 276 | I | 90.5 | Very high | 89.7 | Confident | 91 Ų | 91 | 42.9 Ų | 42.9 | 47% | 0.467 | 23% | 0.233 | S | C | . | . | H | α-helix | trans | -66.3 | -43.4 | -179.9 | -57.8 | 175.3 | 0 | 0 | 0 | 110 | S274 V279 F280 W533 | S274-I276 PolarHBondContact O-N 3.12Å; S274-I276 PolarHBondContact OG-N 3.28Å; I276-V279 PolarHBondContact O-N 3.44Å; I276-F280 HydrophobicContact CG2-CD2 3.7Å; I276-F280 HydrophobicContact CG2-CE2 3.49Å; I276-F280 VanDerWaalsContact CG2-CE2 3.49Å; I276-F280 VanDerWaalsContact O-CD2 3.25Å; I276-F280 WeakPolarHBondContact O-CD2 3.2Å; I276-F280 PolarHBondContact O-N 3.16Å; I276-W533 HydrophobicContact CG2-CH2 3.78Å; I276-W533 HydrophobicContact CG2-CZ2 4.4Å |
| 277 | Q | 88.9 | Confident | 90.1 | Very high | 7 Ų | 7 | 46.4 Ų | 46.4 | 3% | 0.033 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -64.1 | -41 | 176.7 | -69.8 | 167.7 | -21.4 | 0 | 0 | 111.5 | S274 V279 F280 V281 S532 I536 | S274-Q277 PolarHBondContact O-N 2.93Å; Q277-V279 VanDerWaalsContact C-N 3.33Å; Q277-V279 PolarHBondContact O-N 3.06Å; Q277-F280 PolarHBondContact O-N 3.26Å; Q277-V281 WeakPolarHBondContact O-CG2 3.21Å; Q277-V281 PolarHBondContact O-N 3.36Å; Q277-S532 PolarHBondContact NE2-OG 2.97Å; Q277-S532 PolarHBondContact OE1-OG 3.46Å; Q277-I536 HydrophobicContact CB-CG2 4.44Å |
| 278 | R | 92.5 | Very high | 90.7 | Very high | 32 Ų | 32 | 45.2 Ų | 45.2 | 12% | 0.121 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -58.6 | -43.5 | 175.4 | -63.1 | 176.6 | -158.6 | 170 | 12.2 | 112 | N270 L272 A273 S274 I275 D334 | N270-R278 PolarHBondContact ND2-NH2 3.29Å; N270-R278 PolarHBondContact OD1-NH1 2.98Å; N270-R278 PolarHBondContact OD1-NH2 2.93Å; L272-R278 HydrophobicContact CB-CG 3.84Å; L272-R278 HydrophobicContact CD1-CG 4.2Å; L272-R278 VanDerWaalsContact O-CZ 3.23Å; L272-R278 PolarHBondContact O-NE 3.34Å; L272-R278 PolarHBondContact O-NH2 3.28Å; A273-R278 PolarHBondContact O-NH2 3.35Å; S274-R278 PolarHBondContact O-N 3.47Å; I275-R278 PolarHBondContact O-N 2.91Å; R278-D334 WeakPolarHBondContact CD-OD2 3.5Å; R278-D334 IonicContact NE-OD1 3.9Å; R278-D334 IonicContact NE-OD2 2.81Å |
| 279 | V | 93.1 | Very high | 91.4 | Very high | 85 Ų | 85 | 43.9 Ų | 43.9 | 52% | 0.515 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -63.5 | -46.2 | 175.4 | 174.9 | 0 | 0 | 0 | 0 | 110.8 | I275 I276 Q277 V281 W282 V283 | I275-V279 WeakPolarHBondContact O-CG2 3.49Å; I275-V279 PolarHBondContact O-N 3.32Å; I275-V279 VanDerWaalsContact O-N 3.12Å; I276-V279 PolarHBondContact O-N 3.44Å; Q277-V279 VanDerWaalsContact C-N 3.33Å; Q277-V279 PolarHBondContact O-N 3.06Å; V279-V281 PolarHBondContact O-N 3.17Å; V279-W282 PolarHBondContact O-N 3.4Å; V279-V283 HydrophobicContact CG1-CG2 4.22Å; V279-V283 WeakPolarHBondContact O-CG2 3.33Å; V279-V283 PolarHBondContact O-N 2.96Å |
| 280 | F | 91.8 | Very high | 91.9 | Very high | 68 Ų | 68 | 45.3 Ų | 45.3 | 30% | 0.298 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -62.2 | -39 | 178.7 | -81.6 | -60.6 | 0 | 0 | 0 | 113.5 | I276 Q277 W282 V283 V284 W533 F537 | I276-F280 HydrophobicContact CG2-CD2 3.7Å; I276-F280 HydrophobicContact CG2-CE2 3.49Å; I276-F280 VanDerWaalsContact CG2-CE2 3.49Å; I276-F280 VanDerWaalsContact O-CD2 3.25Å; I276-F280 WeakPolarHBondContact O-CD2 3.2Å; I276-F280 PolarHBondContact O-N 3.16Å; Q277-F280 PolarHBondContact O-N 3.26Å; F280-W282 VanDerWaalsContact C-N 3.32Å; F280-W282 PolarHBondContact O-N 2.95Å; F280-V283 PolarHBondContact O-N 3.19Å; F280-V284 HydrophobicContact CD1-CG2 4.45Å; F280-V284 VanDerWaalsContact O-CB 3.3Å; F280-V284 WeakPolarHBondContact O-CB 3.25Å; F280-V284 VanDerWaalsContact O-CG2 3.27Å; F280-V284 WeakPolarHBondContact O-CG2 3.43Å; F280-V284 PolarHBondContact O-N 3.17Å; F280-W533 HydrophobicContact CD2-CH2 4.21Å; F280-W533 HydrophobicContact CD2-CZ3 4.03Å; F280-W533 HydrophobicContact CE2-CH2 4.1Å; F280-W533 HydrophobicContact CE2-CZ3 4.07Å; F280-F537 AromaticContact CD1-CD2 3.95Å; F280-F537 HydrophobicContact CD1-CD2 3.95Å; F280-F537 AromaticContact CD1-CE2 3.93Å; F280-F537 HydrophobicContact CD1-CE2 3.93Å; F280-F537 HydrophobicContact CD2-CD2 4.45Å; F280-F537 HydrophobicContact CE1-CD2 4.19Å; F280-F537 AromaticContact CE1-CE2 3.73Å; F280-F537 HydrophobicContact CE1-CE2 3.73Å; F280-F537 HydrophobicContact CG-CD2 4.11Å; F280-F537 HydrophobicContact CG-CE2 4.48Å; F280-F537 HydrophobicContact CZ-CE2 4.12Å |
| 281 | V | 94.7 | Very high | 92.1 | Very high | 0 Ų | 0 | 45.6 Ų | 45.6 | 0% | 0 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -55.5 | -46.3 | 176.2 | 167.9 | 0 | 0 | 0 | 0 | 111.6 | L272 Q277 V279 S285 L327 I536 | L272-V281 HydrophobicContact CD1-CG2 3.73Å; Q277-V281 WeakPolarHBondContact O-CG2 3.21Å; Q277-V281 PolarHBondContact O-N 3.36Å; V279-V281 PolarHBondContact O-N 3.17Å; V281-S285 WeakPolarHBondContact O-CB 3.19Å; V281-S285 PolarHBondContact O-N 3.1Å; V281-S285 PolarHBondContact O-OG 2.94Å; V281-L327 HydrophobicContact CG1-CB 4.43Å; V281-L327 WeakPolarHBondContact CG1-O 3.49Å; V281-I536 HydrophobicContact CG2-CD1 4.06Å; V281-I536 HydrophobicContact CG2-CG2 3.48Å; V281-I536 VanDerWaalsContact CG2-CG2 3.48Å |
| 282 | W | 95.3 | Very high | 92.3 | Very high | 85 Ų | 85 | 45.6 Ų | 45.6 | 32% | 0.322 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -71 | -41.3 | 179.2 | -70.8 | 109.2 | 0 | 0 | 0 | 113.1 | V279 F280 S285 A286 F328 G331 L335 | V279-W282 PolarHBondContact O-N 3.4Å; F280-W282 VanDerWaalsContact C-N 3.32Å; F280-W282 PolarHBondContact O-N 2.95Å; W282-S285 PolarHBondContact O-OG 2.88Å; W282-A286 VanDerWaalsContact O-CB 3.26Å; W282-A286 WeakPolarHBondContact O-CB 3.32Å; W282-A286 PolarHBondContact O-N 3.03Å; W282-A286 VanDerWaalsContact O-N 3.15Å; W282-F328 HydrophobicContact CE3-CD2 4.42Å; W282-F328 HydrophobicContact CH2-CE2 4.47Å; W282-F328 AromaticContact CZ3-CD2 3.73Å; W282-F328 HydrophobicContact CZ3-CD2 3.73Å; W282-F328 AromaticContact CZ3-CE2 3.63Å; W282-F328 HydrophobicContact CZ3-CE2 3.63Å; W282-F328 HydrophobicContact CZ3-CG 4.41Å; W282-F328 HydrophobicContact CZ3-CZ 4.21Å; W282-G331 WeakPolarHBondContact CZ2-O 3.49Å; W282-L335 HydrophobicContact CH2-CD1 4.21Å; W282-L335 HydrophobicContact CZ2-CD1 3.48Å; W282-L335 VanDerWaalsContact CZ2-CD1 3.48Å; W282-L335 HydrophobicContact CZ2-CG 4.11Å |
| 283 | V | 94.6 | Very high | 92.5 | Very high | 76 Ų | 76 | 49.4 Ų | 49.4 | 46% | 0.461 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -66.1 | -48 | 178.5 | 172.8 | 0 | 0 | 0 | 0 | 111.2 | V279 F280 A286 V287 | V279-V283 HydrophobicContact CG1-CG2 4.22Å; V279-V283 WeakPolarHBondContact O-CG2 3.33Å; V279-V283 PolarHBondContact O-N 2.96Å; F280-V283 PolarHBondContact O-N 3.19Å; V283-A286 PolarHBondContact O-N 3.08Å; V283-V287 WeakPolarHBondContact O-CB 3.19Å; V283-V287 VanDerWaalsContact O-CG2 3.29Å; V283-V287 WeakPolarHBondContact O-CG2 3.33Å; V283-V287 PolarHBondContact O-N 3.38Å |
| 284 | V | 93.6 | Very high | 92.8 | Very high | 12 Ų | 12 | 51.2 Ų | 51.2 | 7% | 0.073 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -72.9 | -41 | -175.9 | -179 | 0 | 0 | 0 | 0 | 111.2 | F280 A286 V287 T288 L327 P540 A544 | F280-V284 HydrophobicContact CD1-CG2 4.45Å; F280-V284 VanDerWaalsContact O-CB 3.3Å; F280-V284 WeakPolarHBondContact O-CB 3.25Å; F280-V284 VanDerWaalsContact O-CG2 3.27Å; F280-V284 WeakPolarHBondContact O-CG2 3.43Å; F280-V284 PolarHBondContact O-N 3.17Å; V284-A286 PolarHBondContact O-N 3.27Å; V284-V287 PolarHBondContact O-N 3.5Å; V284-T288 VanDerWaalsContact O-CB 3.26Å; V284-T288 WeakPolarHBondContact O-CB 3.38Å; V284-T288 PolarHBondContact O-N 2.88Å; V284-T288 PolarHBondContact O-OG1 3.29Å; V284-L327 HydrophobicContact CB-CD1 4.09Å; V284-L327 HydrophobicContact CG1-CD1 3.82Å; V284-P540 HydrophobicContact CG1-CB 3.85Å; V284-A544 HydrophobicContact CG1-CB 4.49Å |
| 285 | S | 95.1 | Very high | 92.9 | Very high | 2 Ų | 2 | 49.5 Ų | 49.5 | 1% | 0.014 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -58.7 | -45.9 | 173 | 55.3 | 0 | 0 | 0 | 0 | 111.9 | V281 W282 T288 C289 G324 | V281-S285 WeakPolarHBondContact O-CB 3.19Å; V281-S285 PolarHBondContact O-N 3.1Å; V281-S285 PolarHBondContact O-OG 2.94Å; W282-S285 PolarHBondContact O-OG 2.88Å; S285-T288 PolarHBondContact O-N 3.45Å; S285-C289 WeakPolarHBondContact O-CB 3.45Å; S285-C289 PolarHBondContact O-N 3.18Å; S285-C289 PolarHBondContact O-SG 2.92Å; S285-G324 WeakPolarHBondContact CB-O 3.45Å |
| 286 | A | 94.9 | Very high | 92.9 | Very high | 38 Ų | 38 | 46.3 Ų | 46.3 | 31% | 0.314 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -61.7 | -50.3 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112 | W282 V283 V284 T288 C289 F290 | W282-A286 VanDerWaalsContact O-CB 3.26Å; W282-A286 WeakPolarHBondContact O-CB 3.32Å; W282-A286 PolarHBondContact O-N 3.03Å; W282-A286 VanDerWaalsContact O-N 3.15Å; V283-A286 PolarHBondContact O-N 3.08Å; V284-A286 PolarHBondContact O-N 3.27Å; A286-T288 PolarHBondContact O-N 3.08Å; A286-C289 PolarHBondContact O-N 2.97Å; A286-F290 HydrophobicContact CB-CD2 4.21Å; A286-F290 HydrophobicContact CB-CE2 4.32Å; A286-F290 WeakPolarHBondContact O-CB 3.42Å; A286-F290 WeakPolarHBondContact O-CD2 3.29Å; A286-F290 PolarHBondContact O-N 2.9Å |
| 287 | V | 93.8 | Very high | 92.9 | Very high | 73 Ų | 73 | 45.3 Ų | 45.3 | 44% | 0.442 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -61.7 | -44 | 179.6 | 172.3 | 0 | 0 | 0 | 0 | 111.3 | V283 V284 G291 A544 | V283-V287 WeakPolarHBondContact O-CB 3.19Å; V283-V287 VanDerWaalsContact O-CG2 3.29Å; V283-V287 WeakPolarHBondContact O-CG2 3.33Å; V283-V287 PolarHBondContact O-N 3.38Å; V284-V287 PolarHBondContact O-N 3.5Å; V287-G291 WeakPolarHBondContact O-CA 3.17Å; V287-G291 PolarHBondContact O-N 3.34Å; V287-A544 HydrophobicContact CG1-CB 4.07Å |
| 288 | T | 94.1 | Very high | 92.6 | Very high | 0 Ų | 0 | 48.3 Ų | 48.3 | 0% | 0 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -64.7 | -48.1 | 178.6 | -63.8 | 0 | 0 | 0 | 0 | 111.6 | V284 S285 A286 N292 D320 A544 | V284-T288 VanDerWaalsContact O-CB 3.26Å; V284-T288 WeakPolarHBondContact O-CB 3.38Å; V284-T288 PolarHBondContact O-N 2.88Å; V284-T288 PolarHBondContact O-OG1 3.29Å; S285-T288 PolarHBondContact O-N 3.45Å; A286-T288 PolarHBondContact O-N 3.08Å; T288-N292 VanDerWaalsContact O-CB 3.31Å; T288-N292 WeakPolarHBondContact O-CB 3.41Å; T288-N292 PolarHBondContact O-N 3.2Å; T288-N292 VanDerWaalsContact O-N 3.13Å; T288-N292 PolarHBondContact O-ND2 2.87Å; T288-D320 WeakPolarHBondContact CG2-O 3.47Å; T288-A544 WeakPolarHBondContact OG1-CA 3.47Å; T288-A544 WeakPolarHBondContact OG1-CB 3.36Å; T288-A544 PolarHBondContact OG1-N 3Å |
| 289 | C | 94.6 | Very high | 92.2 | Very high | 23 Ų | 23 | 47 Ų | 47 | 16% | 0.155 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -64.1 | -56.6 | 177.9 | -75.1 | 0 | 0 | 0 | 0 | 111.9 | S285 A286 G291 N292 I293 G324 | S285-C289 WeakPolarHBondContact O-CB 3.45Å; S285-C289 PolarHBondContact O-N 3.18Å; S285-C289 PolarHBondContact O-SG 2.92Å; A286-C289 PolarHBondContact O-N 2.97Å; C289-G291 PolarHBondContact O-N 3.12Å; C289-N292 PolarHBondContact O-N 2.95Å; C289-I293 WeakPolarHBondContact O-CB 3.27Å; C289-I293 WeakPolarHBondContact O-CD1 3.45Å; C289-I293 WeakPolarHBondContact O-CG1 3.5Å; C289-I293 PolarHBondContact O-N 3.47Å; C289-G324 VanDerWaalsContact SG-C 3.52Å; C289-G324 VanDerWaalsContact SG-CA 3.59Å |
| 290 | F | 94.3 | Very high | 91.7 | Very high | 153 Ų | 153 | 47 Ų | 47 | 67% | 0.671 | 25% | 0.254 | S | S | * | . | H | α-helix | trans | -65.4 | -39.7 | -176.7 | -71.5 | -61.5 | 0 | 0 | 0 | 112.4 | A286 F294 | A286-F290 HydrophobicContact CB-CD2 4.21Å; A286-F290 HydrophobicContact CB-CE2 4.32Å; A286-F290 WeakPolarHBondContact O-CB 3.42Å; A286-F290 WeakPolarHBondContact O-CD2 3.29Å; A286-F290 PolarHBondContact O-N 2.9Å; F290-F294 WeakPolarHBondContact O-CB 3.33Å; F290-F294 PolarHBondContact O-N 3.42Å |
| 291 | G | 91.6 | Very high | 91.1 | Very high | 19 Ų | 19 | 52.5 Ų | 52.5 | 20% | 0.196 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -63.2 | -45.4 | 178.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | V287 C289 V295 P547 | V287-G291 WeakPolarHBondContact O-CA 3.17Å; V287-G291 PolarHBondContact O-N 3.34Å; C289-G291 PolarHBondContact O-N 3.12Å; G291-V295 WeakPolarHBondContact O-CG2 3.43Å; G291-V295 PolarHBondContact O-N 3.41Å; G291-P547 VanDerWaalsContact C-CG 3.48Å |
| 292 | N | 93.5 | Very high | 90.3 | Very high | 0 Ų | 0 | 53.2 Ų | 53.2 | 0% | 0 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -74.3 | -40.7 | 179.8 | -74.4 | -68.5 | 0 | 0 | 0 | 112.4 | T288 C289 F294 V295 I296 C317 S543 P547 | T288-N292 VanDerWaalsContact O-CB 3.31Å; T288-N292 WeakPolarHBondContact O-CB 3.41Å; T288-N292 PolarHBondContact O-N 3.2Å; T288-N292 VanDerWaalsContact O-N 3.13Å; T288-N292 PolarHBondContact O-ND2 2.87Å; C289-N292 PolarHBondContact O-N 2.95Å; N292-F294 VanDerWaalsContact C-N 3.33Å; N292-F294 PolarHBondContact O-N 2.96Å; N292-V295 PolarHBondContact O-N 3.24Å; N292-I296 VanDerWaalsContact O-CG1 3.27Å; N292-I296 WeakPolarHBondContact O-CG1 3.33Å; N292-I296 PolarHBondContact O-N 2.99Å; N292-C317 HydrophobicContact CB-CB 3.96Å; N292-C317 WeakPolarHBondContact OD1-CA 3.24Å; N292-C317 WeakPolarHBondContact OD1-CB 3.36Å; N292-C317 PolarHBondContact OD1-SG 2.98Å; N292-S543 PolarHBondContact ND2-O 3.04Å; N292-P547 WeakPolarHBondContact OD1-CG 3.15Å |
| 293 | I | 93.7 | Very high | 88.5 | Confident | 81 Ų | 81 | 61.5 Ų | 61.5 | 42% | 0.415 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -59.2 | -45 | 173 | -68.8 | 166.7 | 0 | 0 | 0 | 110.6 | C289 V295 I296 C297 | C289-I293 WeakPolarHBondContact O-CB 3.27Å; C289-I293 WeakPolarHBondContact O-CD1 3.45Å; C289-I293 WeakPolarHBondContact O-CG1 3.5Å; C289-I293 PolarHBondContact O-N 3.47Å; I293-V295 VanDerWaalsContact C-N 3.31Å; I293-V295 PolarHBondContact O-N 3.09Å; I293-I296 PolarHBondContact O-N 3Å; I293-C297 PolarHBondContact O-N 2.99Å; I293-C297 PolarHBondContact O-SG 3.25Å; I293-C297 VanDerWaalsContact O-SG 3.4Å |
| 294 | F | 90.8 | Very high | 86.8 | Confident | 82 Ų | 82 | 62 Ų | 62 | 36% | 0.36 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -56.9 | -43.9 | 176.1 | 174.8 | -92.4 | 0 | 0 | 0 | 112 | F290 N292 M298 L552 F557 | F290-F294 WeakPolarHBondContact O-CB 3.33Å; F290-F294 PolarHBondContact O-N 3.42Å; N292-F294 VanDerWaalsContact C-N 3.33Å; N292-F294 PolarHBondContact O-N 2.96Å; F294-M298 HydrophobicContact CD1-CG 4.35Å; F294-M298 HydrophobicContact CD2-CG 4.04Å; F294-M298 HydrophobicContact CE1-CB 4.44Å; F294-M298 HydrophobicContact CE1-CG 4.01Å; F294-M298 HydrophobicContact CE2-CE 4.01Å; F294-M298 HydrophobicContact CE2-CG 3.7Å; F294-M298 HydrophobicContact CE2-SD 4.39Å; F294-M298 HydrophobicContact CG-CG 4.36Å; F294-M298 HydrophobicContact CZ-CG 3.68Å; F294-M298 HydrophobicContact CZ-SD 4.49Å; F294-M298 VanDerWaalsContact O-CB 3.27Å; F294-M298 WeakPolarHBondContact O-CB 3.33Å; F294-M298 VanDerWaalsContact O-CG 3.23Å; F294-M298 WeakPolarHBondContact O-CG 3.4Å; F294-M298 PolarHBondContact O-N 3.33Å; F294-L552 HydrophobicContact CD1-CD2 4.16Å; F294-L552 HydrophobicContact CE1-CD2 3.6Å; F294-F557 AromaticContact CE1-CE2 3.82Å; F294-F557 HydrophobicContact CE1-CE2 3.82Å; F294-F557 AromaticContact CE1-CZ 3.71Å; F294-F557 HydrophobicContact CE1-CZ 3.71Å; F294-F557 AromaticContact CZ-CE2 3.9Å; F294-F557 HydrophobicContact CZ-CE2 3.9Å; F294-F557 AromaticContact CZ-CZ 3.77Å; F294-F557 HydrophobicContact CZ-CZ 3.77Å |
| 295 | V | 89.4 | Confident | 85.4 | Confident | 0 Ų | 0 | 63.5 Ų | 63.5 | 0% | 0 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -66.5 | -45.4 | 176.9 | 171.2 | 0 | 0 | 0 | 0 | 111.6 | G291 N292 I293 C297 M298 R299 C317 P547 T551 | G291-V295 WeakPolarHBondContact O-CG2 3.43Å; G291-V295 PolarHBondContact O-N 3.41Å; N292-V295 PolarHBondContact O-N 3.24Å; I293-V295 VanDerWaalsContact C-N 3.31Å; I293-V295 PolarHBondContact O-N 3.09Å; V295-C297 VanDerWaalsContact C-N 3.29Å; V295-C297 PolarHBondContact O-N 3.32Å; V295-M298 PolarHBondContact O-N 3.07Å; V295-R299 WeakPolarHBondContact O-CB 3.47Å; V295-R299 PolarHBondContact O-N 3.22Å; V295-C317 VanDerWaalsContact CG1-SG 3.54Å; V295-P547 HydrophobicContact CG2-CB 3.77Å; V295-P547 HydrophobicContact CG2-CG 4.48Å; V295-T551 HydrophobicContact CG1-CG2 4.35Å; V295-T551 VanDerWaalsContact CG1-OG1 3.24Å; V295-T551 WeakPolarHBondContact CG1-OG1 3.35Å; V295-T551 HydrophobicContact CG2-CG2 4.08Å |
| 296 | I | 90.9 | Very high | 84.3 | Confident | 46 Ų | 46 | 69.5 Ų | 69.5 | 24% | 0.236 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -55.7 | -45.3 | 177.3 | -68.5 | 162.3 | 0 | 0 | 0 | 110.6 | N292 I293 P300 I314 C317 | N292-I296 VanDerWaalsContact O-CG1 3.27Å; N292-I296 WeakPolarHBondContact O-CG1 3.33Å; N292-I296 PolarHBondContact O-N 2.99Å; I293-I296 PolarHBondContact O-N 3Å; I296-P300 WeakPolarHBondContact O-CD 3.43Å; I296-I314 HydrophobicContact CG1-CG2 4.41Å; I296-I314 HydrophobicContact CG2-CG2 4.37Å; I296-C317 HydrophobicContact CD1-CB 3.91Å; I296-C317 HydrophobicContact CG1-CB 3.62Å |
| 297 | C | 89.1 | Confident | 83.5 | Confident | 70 Ų | 70 | 76.4 Ų | 76.4 | 47% | 0.473 | 38% | 0.377 | S | S | . | . | H | α-helix | trans | -70.4 | -42.4 | 178.2 | -66.2 | 0 | 0 | 0 | 0 | 113.1 | I293 V295 Y301 | I293-C297 PolarHBondContact O-N 2.99Å; I293-C297 PolarHBondContact O-SG 3.25Å; I293-C297 VanDerWaalsContact O-SG 3.4Å; V295-C297 VanDerWaalsContact C-N 3.29Å; V295-C297 PolarHBondContact O-N 3.32Å; C297-Y301 WeakPolarHBondContact O-CD2 3.34Å; C297-Y301 WeakPolarHBondContact O-CE2 3.21Å |
| 298 | M | 83.9 | Confident | 82.9 | Confident | 70 Ų | 70 | 75.1 Ų | 75.1 | 35% | 0.345 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -82.5 | -34 | -171.6 | -70.9 | -72.6 | 161 | 0 | 0 | 113.8 | F294 V295 Y301 M560 | F294-M298 HydrophobicContact CD1-CG 4.35Å; F294-M298 HydrophobicContact CD2-CG 4.04Å; F294-M298 HydrophobicContact CE1-CB 4.44Å; F294-M298 HydrophobicContact CE1-CG 4.01Å; F294-M298 HydrophobicContact CE2-CE 4.01Å; F294-M298 HydrophobicContact CE2-CG 3.7Å; F294-M298 HydrophobicContact CE2-SD 4.39Å; F294-M298 HydrophobicContact CG-CG 4.36Å; F294-M298 HydrophobicContact CZ-CG 3.68Å; F294-M298 HydrophobicContact CZ-SD 4.49Å; F294-M298 VanDerWaalsContact O-CB 3.27Å; F294-M298 WeakPolarHBondContact O-CB 3.33Å; F294-M298 VanDerWaalsContact O-CG 3.23Å; F294-M298 WeakPolarHBondContact O-CG 3.4Å; F294-M298 PolarHBondContact O-N 3.33Å; V295-M298 PolarHBondContact O-N 3.07Å; M298-Y301 PolarHBondContact O-N 2.82Å; M298-M560 HydrophobicContact SD-CE 4.43Å |
| 299 | R | 82.4 | Confident | 82.2 | Confident | 3 Ų | 3 | 76.5 Ų | 76.5 | 1% | 0.011 | 37% | 0.373 | C | S | . | . | G | 310 helix | trans | -59.2 | -40.5 | -171.9 | -156.2 | 73.6 | 177.9 | -81.7 | -8.9 | 114.3 | V295 Y301 I302 E305 A310 I314 T551 | V295-R299 WeakPolarHBondContact O-CB 3.47Å; V295-R299 PolarHBondContact O-N 3.22Å; R299-Y301 PolarHBondContact O-N 3.42Å; R299-I302 PolarHBondContact O-N 2.86Å; R299-E305 IonicContact CZ-OE2 2.73Å; R299-E305 IonicContact NE-OE2 2.64Å; R299-E305 PolarHBondContact NE-OE2 2.94Å; R299-E305 IonicContact NH2-OE1 3.45Å; R299-E305 IonicContact NH2-OE2 2.63Å; R299-E305 PolarHBondContact NH2-OE2 3.37Å; R299-A310 HydrophobicContact CG-CB 4.18Å; R299-I314 HydrophobicContact CB-CD1 4.28Å; R299-I314 HydrophobicContact CB-CG1 4.19Å; R299-T551 PolarHBondContact NH1-OG1 3.34Å |
| 300 | P | 83.4 | Confident | 81.7 | Confident | 85 Ų | 85 | 76 Ų | 76 | 55% | 0.552 | 37% | 0.371 | S | S | * | . | G | 310 helix | trans | -59.6 | -25.5 | 177.9 | -26.5 | 36.5 | 0 | 0 | 0 | 114.8 | I296 I314 | I296-P300 WeakPolarHBondContact O-CD 3.43Å; P300-I314 HydrophobicContact CG-CD1 4.01Å |
| 301 | Y | 80.1 | Confident | 81.3 | Confident | 185 Ų | 185 | 73.9 Ų | 73.9 | 73% | 0.725 | 36% | 0.364 | S | S | * | . | G | 310 helix | trans | -86.5 | -8.9 | -177.8 | -59.1 | -75.6 | 0 | 0 | 0 | 113.8 | C297 M298 R299 R303 | C297-Y301 WeakPolarHBondContact O-CD2 3.34Å; C297-Y301 WeakPolarHBondContact O-CE2 3.21Å; M298-Y301 PolarHBondContact O-N 2.82Å; R299-Y301 PolarHBondContact O-N 3.42Å; Y301-R303 PolarHBondContact O-N 3.05Å |
| 302 | I | 76.7 | Confident | 81.2 | Confident | 14 Ų | 14 | 73 Ų | 73 | 7% | 0.072 | 36% | 0.355 | C | S | . | . | trans | -78.1 | 92.1 | -179.6 | -54.8 | -175.9 | 0 | 0 | 0 | 109.7 | R299 S304 E305 P556 F557 M560 | R299-I302 PolarHBondContact O-N 2.86Å; I302-S304 PolarHBondContact O-N 3.33Å; I302-E305 HydrophobicContact CG2-CG 4.18Å; I302-E305 PolarHBondContact O-N 2.99Å; I302-P556 HydrophobicContact CG2-CB 4Å; I302-P556 HydrophobicContact CG2-CG 4.49Å; I302-F557 HydrophobicContact CD1-CB 4.45Å; I302-F557 HydrophobicContact CD1-CD2 4.24Å; I302-M560 HydrophobicContact CG1-SD 4.11Å | ||
| 303 | R | 58.9 | Low | 80.9 | Confident | 260 Ų | 260 | 73.1 Ų | 73.1 | 98% | 0.981 | 36% | 0.356 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.8 | -0.2 | -169.9 | -152.2 | 172 | -175.2 | 162 | -0.1 | 116.5 | Y301 | Y301-R303 PolarHBondContact O-N 3.05Š|
| 304 | S | 58.1 | Low | 80.8 | Confident | 87 Ų | 87 | 70.5 Ų | 70.5 | 61% | 0.608 | 34% | 0.342 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -122 | 3.2 | -169.8 | 66.2 | 0 | 0 | 0 | 0 | 115.7 | I302 P556 | I302-S304 PolarHBondContact O-N 3.33Å; S304-P556 VanDerWaalsContact OG-CB 3.28Å; S304-P556 WeakPolarHBondContact OG-CB 3.41Å |
| 305 | E | 64.1 | Low | 80.9 | Confident | 43 Ų | 43 | 67.3 Ų | 67.3 | 20% | 0.201 | 33% | 0.33 | C | S | . | . | S | Bend | trans | -103.7 | 152.8 | -179.4 | -68.7 | -160.1 | 154 | 0 | 0 | 113.6 | R299 I302 K307 P556 | R299-E305 IonicContact CZ-OE2 2.73Å; R299-E305 IonicContact NE-OE2 2.64Å; R299-E305 PolarHBondContact NE-OE2 2.94Å; R299-E305 IonicContact NH2-OE1 3.45Å; R299-E305 IonicContact NH2-OE2 2.63Å; R299-E305 PolarHBondContact NH2-OE2 3.37Å; I302-E305 HydrophobicContact CG2-CG 4.18Å; I302-E305 PolarHBondContact O-N 2.99Å; E305-K307 PolarHBondContact O-N 3.49Å; E305-K307 VanDerWaalsContact O-N 3.1Å; E305-P556 HydrophobicContact CG-CG 4.44Å |
| 306 | N | 72 | Confident | 81 | Confident | 127 Ų | 127 | 67.3 Ų | 67.3 | 68% | 0.679 | 33% | 0.33 | S | S | * | . | trans | -58.9 | 113.5 | 173.6 | -81.7 | -31 | 0 | 0 | 0 | 110.3 | L308 Y309 A310 | N306-L308 PolarHBondContact O-N 2.6Å; N306-L308 VanDerWaalsContact O-N 3.08Å; N306-Y309 PolarHBondContact O-N 2.87Å; N306-A310 PolarHBondContact O-N 3.35Å | ||
| 307 | K | 78.4 | Confident | 81.2 | Confident | 183 Ų | 183 | 65.2 Ų | 65.2 | 80% | 0.796 | 32% | 0.319 | S | S | * | . | H | α-helix | trans | -51.2 | -37.6 | -176.2 | -66.4 | -175.4 | 178.9 | -179.5 | 0 | 113.4 | E305 M311 | E305-K307 PolarHBondContact O-N 3.49Å; E305-K307 VanDerWaalsContact O-N 3.1Å; K307-M311 WeakPolarHBondContact O-CG 3.41Å; K307-M311 PolarHBondContact O-N 2.9Å; K307-M311 VanDerWaalsContact O-N 3.08Å |
| 308 | L | 79.8 | Confident | 81.5 | Confident | 47 Ų | 47 | 64.2 Ų | 64.2 | 25% | 0.246 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -65.8 | -45.9 | 178.1 | -57.3 | -177.1 | 0 | 0 | 0 | 112.6 | N306 A310 M311 S312 P392 K394 | N306-L308 PolarHBondContact O-N 2.6Å; N306-L308 VanDerWaalsContact O-N 3.08Å; L308-A310 VanDerWaalsContact C-N 3.33Å; L308-A310 PolarHBondContact O-N 2.7Å; L308-M311 PolarHBondContact O-N 2.95Å; L308-S312 PolarHBondContact O-N 2.89Å; L308-S312 VanDerWaalsContact O-N 3.13Å; L308-S312 PolarHBondContact O-OG 3.43Å; L308-P392 WeakPolarHBondContact CD1-O 3.38Å; L308-K394 HydrophobicContact CD2-CB 3.82Å; L308-K394 HydrophobicContact CD2-CG 3.77Å |
| 309 | Y | 80.6 | Confident | 82 | Confident | 29 Ų | 29 | 60.9 Ų | 60.9 | 11% | 0.114 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -66.4 | -35.2 | 178.3 | 179.3 | -113.3 | 0 | 0 | 0 | 112.1 | N306 I313 L375 K379 F499 | N306-Y309 PolarHBondContact O-N 2.87Å; Y309-I313 HydrophobicContact CD1-CD1 4.13Å; Y309-I313 HydrophobicContact CD2-CD1 4.23Å; Y309-I313 HydrophobicContact CE1-CD1 3.6Å; Y309-I313 HydrophobicContact CE2-CD1 3.72Å; Y309-I313 HydrophobicContact CG-CD1 4.42Å; Y309-I313 PolarHBondContact O-N 3.01Å; Y309-L375 HydrophobicContact CD2-CD2 3.93Å; Y309-L375 HydrophobicContact CE2-CD2 3.91Å; Y309-K379 VanDerWaalsContact CD2-CE 3.48Å; Y309-F499 WeakPolarHBondContact OH-CE1 3.41Å; Y309-F499 WeakPolarHBondContact OH-CZ 3.49Å |
| 310 | A | 83.9 | Confident | 82.6 | Confident | 13 Ų | 13 | 60.7 Ų | 60.7 | 11% | 0.107 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -63.2 | -44.5 | 172.1 | 0 | 0 | 0 | 0 | 0 | 111.8 | R299 N306 L308 S312 I313 I314 | R299-A310 HydrophobicContact CG-CB 4.18Å; N306-A310 PolarHBondContact O-N 3.35Å; L308-A310 VanDerWaalsContact C-N 3.33Å; L308-A310 PolarHBondContact O-N 2.7Å; A310-S312 PolarHBondContact O-N 3.49Å; A310-I313 PolarHBondContact O-N 3.27Å; A310-I314 VanDerWaalsContact O-CG1 3.32Å; A310-I314 WeakPolarHBondContact O-CG1 3.41Å; A310-I314 PolarHBondContact O-N 3.34Å |
| 311 | M | 86.9 | Confident | 83.2 | Confident | 108 Ų | 108 | 57.6 Ų | 57.6 | 53% | 0.532 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -60.3 | -44.2 | 176.9 | -71.3 | -59.2 | -59.3 | 0 | 0 | 112.7 | K307 L308 I313 I314 S315 | K307-M311 WeakPolarHBondContact O-CG 3.41Å; K307-M311 PolarHBondContact O-N 2.9Å; K307-M311 VanDerWaalsContact O-N 3.08Å; L308-M311 PolarHBondContact O-N 2.95Å; M311-I313 VanDerWaalsContact C-N 3.31Å; M311-I313 PolarHBondContact O-N 3.16Å; M311-I314 PolarHBondContact O-N 2.94Å; M311-S315 PolarHBondContact O-N 3.12Å |
| 312 | S | 88.5 | Confident | 84 | Confident | 1 Ų | 1 | 50.4 Ų | 50.4 | 1% | 0.007 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -63.3 | -35.5 | 179.3 | -58.1 | 0 | 0 | 0 | 0 | 112.7 | L308 A310 S315 L316 | L308-S312 PolarHBondContact O-N 2.89Å; L308-S312 VanDerWaalsContact O-N 3.13Å; L308-S312 PolarHBondContact O-OG 3.43Å; A310-S312 PolarHBondContact O-N 3.49Å; S312-S315 WeakPolarHBondContact O-CB 3.42Å; S312-S315 PolarHBondContact O-N 3.15Å; S312-L316 PolarHBondContact O-N 3.01Å |
| 313 | I | 87.8 | Confident | 84.9 | Confident | 1 Ų | 1 | 49.8 Ų | 49.8 | 1% | 0.005 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -79.3 | -31.3 | 176.4 | -63.7 | 163.4 | 0 | 0 | 0 | 112 | Y309 A310 M311 S315 L316 C317 L375 Y550 | Y309-I313 HydrophobicContact CD1-CD1 4.13Å; Y309-I313 HydrophobicContact CD2-CD1 4.23Å; Y309-I313 HydrophobicContact CE1-CD1 3.6Å; Y309-I313 HydrophobicContact CE2-CD1 3.72Å; Y309-I313 HydrophobicContact CG-CD1 4.42Å; Y309-I313 PolarHBondContact O-N 3.01Å; A310-I313 PolarHBondContact O-N 3.27Å; M311-I313 VanDerWaalsContact C-N 3.31Å; M311-I313 PolarHBondContact O-N 3.16Å; I313-S315 VanDerWaalsContact C-N 3.26Å; I313-S315 PolarHBondContact O-N 2.89Å; I313-L316 PolarHBondContact O-N 2.9Å; I313-C317 PolarHBondContact O-N 3.39Å; I313-C317 PolarHBondContact O-SG 3.24Å; I313-C317 VanDerWaalsContact O-SG 3.42Å; I313-L375 HydrophobicContact CG1-CD1 4.07Å; I313-L375 HydrophobicContact CG1-CD2 4.26Å; I313-Y550 HydrophobicContact CD1-CD1 3.71Å; I313-Y550 HydrophobicContact CD1-CE1 4.41Å; I313-Y550 HydrophobicContact CD1-CG 4.28Å; I313-Y550 HydrophobicContact CG1-CD1 4.21Å; I313-Y550 HydrophobicContact CG2-CG 4.36Å |
| 314 | I | 90.4 | Very high | 86.6 | Confident | 27 Ų | 27 | 37.4 Ų | 37.4 | 14% | 0.138 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -59 | -42.7 | 167.7 | -69.7 | 164.3 | 0 | 0 | 0 | 109.6 | I296 R299 P300 A310 M311 L316 C317 C318 | I296-I314 HydrophobicContact CG1-CG2 4.41Å; I296-I314 HydrophobicContact CG2-CG2 4.37Å; R299-I314 HydrophobicContact CB-CD1 4.28Å; R299-I314 HydrophobicContact CB-CG1 4.19Å; P300-I314 HydrophobicContact CG-CD1 4.01Å; A310-I314 VanDerWaalsContact O-CG1 3.32Å; A310-I314 WeakPolarHBondContact O-CG1 3.41Å; A310-I314 PolarHBondContact O-N 3.34Å; M311-I314 PolarHBondContact O-N 2.94Å; I314-L316 VanDerWaalsContact C-N 3.34Å; I314-L316 PolarHBondContact O-N 3.41Å; I314-C317 PolarHBondContact O-N 3.2Å; I314-C318 PolarHBondContact O-N 2.92Å; I314-C318 PolarHBondContact O-SG 2.89Å |
| 315 | S | 93.3 | Very high | 88.4 | Confident | 14 Ų | 14 | 36.7 Ų | 36.7 | 10% | 0.098 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -61.7 | -38.2 | 174.1 | -171.6 | 0 | 0 | 0 | 0 | 113.1 | M311 S312 I313 C318 A319 W405 | M311-S315 PolarHBondContact O-N 3.12Å; S312-S315 WeakPolarHBondContact O-CB 3.42Å; S312-S315 PolarHBondContact O-N 3.15Å; I313-S315 VanDerWaalsContact C-N 3.26Å; I313-S315 PolarHBondContact O-N 2.89Å; S315-C318 WeakPolarHBondContact O-CB 3.37Å; S315-C318 PolarHBondContact O-N 3.48Å; S315-A319 PolarHBondContact O-N 3.41Å; S315-A319 VanDerWaalsContact O-N 3.14Å; S315-W405 PolarHBondContact OG-NE1 3.09Å |
| 316 | L | 92.3 | Very high | 89.9 | Confident | 1 Ų | 1 | 34.7 Ų | 34.7 | 1% | 0.005 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -64.4 | -46.8 | 175.3 | -179.5 | 63.1 | 0 | 0 | 0 | 111 | S312 I313 I314 C318 A319 D320 L371 L372 L375 Y550 | S312-L316 PolarHBondContact O-N 3.01Å; I313-L316 PolarHBondContact O-N 2.9Å; I314-L316 VanDerWaalsContact C-N 3.34Å; I314-L316 PolarHBondContact O-N 3.41Å; L316-C318 VanDerWaalsContact C-N 3.27Å; L316-C318 PolarHBondContact O-N 3.09Å; L316-A319 WeakPolarHBondContact O-CB 3.43Å; L316-A319 PolarHBondContact O-N 3.02Å; L316-A319 VanDerWaalsContact O-N 3.08Å; L316-D320 PolarHBondContact O-N 3.05Å; L316-L371 HydrophobicContact CB-CD1 4.31Å; L316-L371 HydrophobicContact CD1-CB 4.18Å; L316-L371 HydrophobicContact CD1-CD1 4.47Å; L316-L372 HydrophobicContact CD1-CG 4.34Å; L316-L372 HydrophobicContact CD2-CD2 3.9Å; L316-L375 HydrophobicContact CD2-CD1 4.26Å; L316-Y550 HydrophobicContact CD2-CD2 4.19Å; L316-Y550 HydrophobicContact CD2-CE2 3.79Å |
| 317 | C | 93.8 | Very high | 91.1 | Very high | 1 Ų | 1 | 28.6 Ų | 28.6 | 1% | 0.007 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -62.4 | -32 | 175.4 | -68.3 | 0 | 0 | 0 | 0 | 113 | N292 V295 I296 I313 I314 C321 | N292-C317 HydrophobicContact CB-CB 3.96Å; N292-C317 WeakPolarHBondContact OD1-CA 3.24Å; N292-C317 WeakPolarHBondContact OD1-CB 3.36Å; N292-C317 PolarHBondContact OD1-SG 2.98Å; V295-C317 VanDerWaalsContact CG1-SG 3.54Å; I296-C317 HydrophobicContact CD1-CB 3.91Å; I296-C317 HydrophobicContact CG1-CB 3.62Å; I313-C317 PolarHBondContact O-N 3.39Å; I313-C317 PolarHBondContact O-SG 3.24Å; I313-C317 VanDerWaalsContact O-SG 3.42Å; I314-C317 PolarHBondContact O-N 3.2Å; C317-C321 WeakPolarHBondContact O-CB 3.28Å; C317-C321 PolarHBondContact O-N 2.83Å |
| 318 | C | 95.3 | Very high | 91.9 | Very high | 49 Ų | 49 | 25.5 Ų | 25.5 | 33% | 0.331 | 13% | 0.133 | S | C | . | . | H | α-helix | trans | -64.9 | -41.5 | 172.2 | -70.5 | 0 | 0 | 0 | 0 | 111.9 | I314 S315 L316 W405 | I314-C318 PolarHBondContact O-N 2.92Å; I314-C318 PolarHBondContact O-SG 2.89Å; S315-C318 WeakPolarHBondContact O-CB 3.37Å; S315-C318 PolarHBondContact O-N 3.48Å; L316-C318 VanDerWaalsContact C-N 3.27Å; L316-C318 PolarHBondContact O-N 3.09Å; C318-W405 HydrophobicContact CB-CZ2 4.13Å |
| 319 | A | 95.8 | Very high | 92.7 | Very high | 0 Ų | 0 | 25.2 Ų | 25.2 | 0% | 0 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -65.9 | -51.7 | 174.7 | 0 | 0 | 0 | 0 | 0 | 111 | S315 L316 C321 L322 S364 V367 S368 L371 W405 | S315-A319 PolarHBondContact O-N 3.41Å; S315-A319 VanDerWaalsContact O-N 3.14Å; L316-A319 WeakPolarHBondContact O-CB 3.43Å; L316-A319 PolarHBondContact O-N 3.02Å; L316-A319 VanDerWaalsContact O-N 3.08Å; A319-C321 PolarHBondContact O-N 3.13Å; A319-L322 VanDerWaalsContact O-CB 3.25Å; A319-L322 WeakPolarHBondContact O-CB 3.29Å; A319-L322 WeakPolarHBondContact O-CG 3.21Å; A319-L322 PolarHBondContact O-N 3.27Å; A319-S364 PolarHBondContact O-OG 2.95Å; A319-V367 HydrophobicContact CB-CB 4.14Å; A319-V367 HydrophobicContact CB-CG1 3.73Å; A319-S368 WeakPolarHBondContact CB-OG 3.39Å; A319-L371 HydrophobicContact CB-CD1 4.45Å; A319-W405 HydrophobicContact CB-CH2 4.08Å; A319-W405 HydrophobicContact CB-CZ2 4.16Å |
| 320 | D | 94.9 | Very high | 93.4 | Very high | 0 Ų | 0 | 23.9 Ų | 23.9 | 0% | 0 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -57.9 | -31 | 179 | -75.8 | -28.5 | 0 | 0 | 0 | 113.6 | T288 L316 L322 M323 G324 S368 S543 N546 | T288-D320 WeakPolarHBondContact CG2-O 3.47Å; L316-D320 PolarHBondContact O-N 3.05Å; D320-L322 PolarHBondContact O-N 2.74Å; D320-M323 WeakPolarHBondContact O-CB 3.21Å; D320-M323 PolarHBondContact O-N 3.15Å; D320-G324 PolarHBondContact O-N 3.18Å; D320-S368 PolarHBondContact OD1-OG 3.2Å; D320-S543 WeakPolarHBondContact OD1-CA 3.37Å; D320-S543 VanDerWaalsContact OD1-CB 3.26Å; D320-S543 WeakPolarHBondContact OD1-CB 3.25Å; D320-S543 PolarHBondContact OD1-OG 2.91Å; D320-N546 WeakPolarHBondContact OD2-CB 3.46Å; D320-N546 PolarHBondContact OD2-ND2 3.07Å |
| 321 | C | 95.6 | Very high | 93.9 | Very high | 20 Ų | 20 | 23.3 Ų | 23.3 | 14% | 0.135 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -62.3 | -31.4 | 174 | -164.9 | 0 | 0 | 0 | 0 | 112.4 | C317 A319 G324 I325 | C317-C321 WeakPolarHBondContact O-CB 3.28Å; C317-C321 PolarHBondContact O-N 2.83Å; A319-C321 PolarHBondContact O-N 3.13Å; C321-G324 PolarHBondContact O-N 3.1Å; C321-G324 VanDerWaalsContact O-N 3.16Å; C321-I325 WeakPolarHBondContact O-CG1 3.04Å; C321-I325 PolarHBondContact O-N 3.41Å |
| 322 | L | 96.5 | Very high | 94.3 | Very high | 33 Ų | 33 | 19.6 Ų | 19.6 | 17% | 0.173 | 11% | 0.113 | C | C | . | . | H | α-helix | trans | -66.8 | -36.9 | 177.8 | -52.2 | -175.5 | 0 | 0 | 0 | 111.6 | A319 D320 G324 I325 Y326 L360 L363 W405 | A319-L322 VanDerWaalsContact O-CB 3.25Å; A319-L322 WeakPolarHBondContact O-CB 3.29Å; A319-L322 WeakPolarHBondContact O-CG 3.21Å; A319-L322 PolarHBondContact O-N 3.27Å; D320-L322 PolarHBondContact O-N 2.74Å; L322-G324 VanDerWaalsContact C-N 3.32Å; L322-G324 PolarHBondContact O-N 3.1Å; L322-I325 HydrophobicContact CD2-CD1 4.39Å; L322-I325 PolarHBondContact O-N 2.96Å; L322-Y326 WeakPolarHBondContact O-CB 3.4Å; L322-Y326 PolarHBondContact O-N 3.14Å; L322-L360 HydrophobicContact CB-CD1 3.93Å; L322-L360 HydrophobicContact CB-CG 4.1Å; L322-L360 HydrophobicContact CD1-CD1 4.05Å; L322-L360 HydrophobicContact CD2-CD1 4.13Å; L322-L360 HydrophobicContact CG-CD1 4.24Å; L322-L363 HydrophobicContact CD1-CD2 3.85Å; L322-L363 HydrophobicContact CD1-CG 4.08Å; L322-W405 HydrophobicContact CD1-CH2 4.1Å; L322-W405 HydrophobicContact CD1-CZ3 4.06Å |
| 323 | M | 95.1 | Very high | 94.6 | Very high | 1 Ų | 1 | 21.5 Ų | 21.5 | 1% | 0.005 | 12% | 0.121 | C | C | . | . | H | α-helix | trans | -61.6 | -40.1 | 170.2 | -176 | 58.2 | 64.2 | 0 | 0 | 111.9 | D320 Y326 L327 A361 S364 T365 L539 P540 | D320-M323 WeakPolarHBondContact O-CB 3.21Å; D320-M323 PolarHBondContact O-N 3.15Å; M323-Y326 WeakPolarHBondContact O-CB 3.46Å; M323-Y326 PolarHBondContact O-N 2.99Å; M323-Y326 HydrophobicContact SD-CD1 3.62Å; M323-Y326 HydrophobicContact SD-CE1 4.21Å; M323-L327 PolarHBondContact O-N 3.13Å; M323-A361 HydrophobicContact CE-CB 4.48Å; M323-S364 VanDerWaalsContact CB-OG 3.3Å; M323-S364 WeakPolarHBondContact CB-OG 3.29Å; M323-S364 PolarHBondContact N-OG 3.29Å; M323-S364 VanDerWaalsContact N-OG 3.1Å; M323-T365 HydrophobicContact CE-CG2 3.52Å; M323-L539 HydrophobicContact CE-CD2 3.72Å; M323-L539 HydrophobicContact CE-CG 4.12Å; M323-L539 HydrophobicContact SD-CD2 4.49Å; M323-P540 HydrophobicContact CG-CB 3.71Å; M323-P540 HydrophobicContact CG-CG 4.2Å; M323-P540 HydrophobicContact SD-CB 4.15Å; M323-P540 HydrophobicContact SD-CG 3.95Å |
| 324 | G | 95.6 | Very high | 94.9 | Very high | 0 Ų | 0 | 21.5 Ų | 21.5 | 0% | 0 | 12% | 0.121 | C | C | . | . | H | α-helix | trans | -61.9 | -43.3 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | S285 C289 D320 C321 L322 L327 F328 | S285-G324 WeakPolarHBondContact CB-O 3.45Å; C289-G324 VanDerWaalsContact SG-C 3.52Å; C289-G324 VanDerWaalsContact SG-CA 3.59Å; D320-G324 PolarHBondContact O-N 3.18Å; C321-G324 PolarHBondContact O-N 3.1Å; C321-G324 VanDerWaalsContact O-N 3.16Å; L322-G324 VanDerWaalsContact C-N 3.32Å; L322-G324 PolarHBondContact O-N 3.1Å; G324-L327 PolarHBondContact O-N 3.31Å; G324-F328 WeakPolarHBondContact O-CB 3.35Å; G324-F328 PolarHBondContact O-N 3.16Å |
| 325 | I | 96.2 | Very high | 95 | Very high | 73 Ų | 73 | 24.4 Ų | 24.4 | 37% | 0.374 | 14% | 0.136 | S | C | . | . | H | α-helix | trans | -64.4 | -44.3 | 175.2 | -66 | 165.9 | 0 | 0 | 0 | 111 | C321 L322 L327 F328 V329 L360 | C321-I325 WeakPolarHBondContact O-CG1 3.04Å; C321-I325 PolarHBondContact O-N 3.41Å; L322-I325 HydrophobicContact CD2-CD1 4.39Å; L322-I325 PolarHBondContact O-N 2.96Å; I325-L327 PolarHBondContact O-N 3.38Å; I325-F328 PolarHBondContact O-N 3.04Å; I325-V329 HydrophobicContact CG2-CG2 4.5Å; I325-V329 WeakPolarHBondContact O-CG2 3.15Å; I325-V329 PolarHBondContact O-N 2.94Å; I325-L360 HydrophobicContact CB-CD2 4.21Å; I325-L360 HydrophobicContact CG2-CD2 3.81Å |
| 326 | Y | 96.4 | Very high | 95 | Very high | 0 Ų | 0 | 30.8 Ų | 30.8 | 0% | 0 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -52.8 | -54.5 | 174.4 | 159.3 | -101.6 | 0 | 0 | 0 | 111.4 | L322 M323 F328 V329 I330 V357 A361 V431 V535 | L322-Y326 WeakPolarHBondContact O-CB 3.4Å; L322-Y326 PolarHBondContact O-N 3.14Å; M323-Y326 WeakPolarHBondContact O-CB 3.46Å; M323-Y326 PolarHBondContact O-N 2.99Å; M323-Y326 HydrophobicContact SD-CD1 3.62Å; M323-Y326 HydrophobicContact SD-CE1 4.21Å; Y326-F328 VanDerWaalsContact C-N 3.33Å; Y326-F328 PolarHBondContact O-N 2.96Å; Y326-V329 PolarHBondContact O-N 2.92Å; Y326-I330 HydrophobicContact CD2-CG1 4.22Å; Y326-I330 HydrophobicContact CE1-CG1 4.49Å; Y326-I330 HydrophobicContact CE2-CD1 4.11Å; Y326-I330 HydrophobicContact CE2-CG1 3.74Å; Y326-I330 WeakPolarHBondContact O-CG1 3.43Å; Y326-I330 PolarHBondContact O-N 3.32Å; Y326-V357 HydrophobicContact CD2-CG1 3.45Å; Y326-V357 VanDerWaalsContact CD2-CG1 3.45Å; Y326-V357 WeakPolarHBondContact CD2-O 3.48Å; Y326-V357 HydrophobicContact CE2-CG1 3.76Å; Y326-A361 HydrophobicContact CD1-CB 4.15Å; Y326-A361 HydrophobicContact CD2-CB 3.69Å; Y326-A361 HydrophobicContact CE1-CB 4.36Å; Y326-A361 HydrophobicContact CE2-CB 3.94Å; Y326-A361 HydrophobicContact CG-CB 3.82Å; Y326-V431 WeakPolarHBondContact CE2-O 3.4Å; Y326-V431 PolarHBondContact OH-O 3.12Å; Y326-V535 WeakPolarHBondContact OH-CG1 3.36Å |
| 327 | L | 95.8 | Very high | 95 | Very high | 0 Ų | 0 | 31.6 Ų | 31.6 | 0% | 0 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -61.1 | -40.6 | 178.9 | -74.4 | -177.2 | 0 | 0 | 0 | 112.4 | V281 V284 M323 G324 I325 V329 I330 G331 I536 P540 | V281-L327 HydrophobicContact CG1-CB 4.43Å; V281-L327 WeakPolarHBondContact CG1-O 3.49Å; V284-L327 HydrophobicContact CB-CD1 4.09Å; V284-L327 HydrophobicContact CG1-CD1 3.82Å; M323-L327 PolarHBondContact O-N 3.13Å; G324-L327 PolarHBondContact O-N 3.31Å; I325-L327 PolarHBondContact O-N 3.38Å; L327-V329 VanDerWaalsContact C-N 3.32Å; L327-V329 PolarHBondContact O-N 3.38Å; L327-I330 PolarHBondContact O-N 2.99Å; L327-G331 PolarHBondContact O-N 2.98Å; L327-I536 HydrophobicContact CD2-CD1 4.26Å; L327-P540 HydrophobicContact CD1-CB 3.63Å; L327-P540 HydrophobicContact CD1-CG 3.85Å; L327-P540 HydrophobicContact CD2-CG 4.19Å; L327-P540 HydrophobicContact CG-CB 4.44Å; L327-P540 HydrophobicContact CG-CG 4.28Å |
| 328 | F | 95.9 | Very high | 94.8 | Very high | 118 Ų | 118 | 37 Ų | 37 | 52% | 0.518 | 19% | 0.186 | S | C | . | . | H | α-helix | trans | -60.5 | -41.3 | 177.2 | -172.9 | -85.6 | 0 | 0 | 0 | 111.8 | W282 G324 I325 Y326 G331 G332 | W282-F328 HydrophobicContact CE3-CD2 4.42Å; W282-F328 HydrophobicContact CH2-CE2 4.47Å; W282-F328 AromaticContact CZ3-CD2 3.73Å; W282-F328 HydrophobicContact CZ3-CD2 3.73Å; W282-F328 AromaticContact CZ3-CE2 3.63Å; W282-F328 HydrophobicContact CZ3-CE2 3.63Å; W282-F328 HydrophobicContact CZ3-CG 4.41Å; W282-F328 HydrophobicContact CZ3-CZ 4.21Å; G324-F328 WeakPolarHBondContact O-CB 3.35Å; G324-F328 PolarHBondContact O-N 3.16Å; I325-F328 PolarHBondContact O-N 3.04Å; Y326-F328 VanDerWaalsContact C-N 3.33Å; Y326-F328 PolarHBondContact O-N 2.96Å; F328-G331 PolarHBondContact O-N 2.91Å; F328-G332 PolarHBondContact O-N 2.71Å |
| 329 | V | 96.3 | Very high | 94.4 | Very high | 41 Ų | 41 | 36.7 Ų | 36.7 | 25% | 0.248 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -66.7 | -44.6 | 176.4 | 176.3 | 0 | 0 | 0 | 0 | 111.3 | I325 Y326 L327 G331 G332 F333 V357 | I325-V329 HydrophobicContact CG2-CG2 4.5Å; I325-V329 WeakPolarHBondContact O-CG2 3.15Å; I325-V329 PolarHBondContact O-N 2.94Å; Y326-V329 PolarHBondContact O-N 2.92Å; L327-V329 VanDerWaalsContact C-N 3.32Å; L327-V329 PolarHBondContact O-N 3.38Å; V329-G331 VanDerWaalsContact C-N 3.33Å; V329-G331 PolarHBondContact O-N 3.36Å; V329-G332 PolarHBondContact O-N 2.87Å; V329-G332 VanDerWaalsContact O-N 3.16Å; V329-F333 HydrophobicContact CG1-CD2 3.68Å; V329-F333 HydrophobicContact CG1-CE2 3.73Å; V329-F333 WeakPolarHBondContact O-CD2 3.32Å; V329-F333 PolarHBondContact O-N 3.48Å; V329-V357 HydrophobicContact CB-CG2 4.31Å; V329-V357 HydrophobicContact CG1-CG1 4.41Å; V329-V357 HydrophobicContact CG1-CG2 3.59Å |
| 330 | I | 95.1 | Very high | 94 | Very high | 0 Ų | 0 | 41.4 Ų | 41.4 | 0% | 0 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -58.9 | -44 | 174.9 | -65.2 | -59 | 0 | 0 | 0 | 111.3 | L271 L272 Y326 L327 G332 F333 D334 W348 V357 V431 I536 | L271-I330 HydrophobicContact CD2-CG2 4.05Å; L272-I330 HydrophobicContact CD1-CG2 4.49Å; Y326-I330 HydrophobicContact CD2-CG1 4.22Å; Y326-I330 HydrophobicContact CE1-CG1 4.49Å; Y326-I330 HydrophobicContact CE2-CD1 4.11Å; Y326-I330 HydrophobicContact CE2-CG1 3.74Å; Y326-I330 WeakPolarHBondContact O-CG1 3.43Å; Y326-I330 PolarHBondContact O-N 3.32Å; L327-I330 PolarHBondContact O-N 2.99Å; I330-G332 VanDerWaalsContact C-N 3.34Å; I330-G332 PolarHBondContact O-N 2.85Å; I330-F333 PolarHBondContact O-N 3.5Å; I330-D334 PolarHBondContact O-N 3.33Å; I330-W348 HydrophobicContact CD1-CZ2 4.25Å; I330-V357 HydrophobicContact CD1-CG1 3.91Å; I330-V357 HydrophobicContact CG1-CG1 4.3Å; I330-V431 HydrophobicContact CG2-CG1 4.37Å; I330-I536 HydrophobicContact CG2-CD1 4.49Å |
| 331 | G | 95 | Very high | 93.6 | Very high | 1 Ų | 1 | 41.4 Ų | 41.4 | 1% | 0.01 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -61.1 | -40.1 | 174.8 | 0 | 0 | 0 | 0 | 0 | 113.1 | W282 L327 F328 V329 D334 L335 | W282-G331 WeakPolarHBondContact CZ2-O 3.49Å; L327-G331 PolarHBondContact O-N 2.98Å; F328-G331 PolarHBondContact O-N 2.91Å; V329-G331 VanDerWaalsContact C-N 3.33Å; V329-G331 PolarHBondContact O-N 3.36Å; G331-D334 PolarHBondContact O-N 2.86Å; G331-L335 PolarHBondContact O-N 3.44Å; G331-L335 VanDerWaalsContact O-N 3.11Å |
| 332 | G | 94.9 | Very high | 93 | Very high | 31 Ų | 31 | 41.6 Ų | 41.6 | 32% | 0.32 | 21% | 0.213 | S | C | . | . | H | α-helix | trans | -63.8 | -40.5 | 175 | 0 | 0 | 0 | 0 | 0 | 113.5 | F328 V329 I330 L335 K336 | F328-G332 PolarHBondContact O-N 2.71Å; V329-G332 PolarHBondContact O-N 2.87Å; V329-G332 VanDerWaalsContact O-N 3.16Å; I330-G332 VanDerWaalsContact C-N 3.34Å; I330-G332 PolarHBondContact O-N 2.85Å; G332-L335 PolarHBondContact O-N 3.41Å; G332-K336 PolarHBondContact O-N 2.89Å |
| 333 | F | 94.3 | Very high | 92.3 | Very high | 41 Ų | 41 | 46 Ų | 46 | 18% | 0.18 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -75.4 | -31 | 176.3 | -80.8 | -78.4 | 0 | 0 | 0 | 113.3 | L271 V329 I330 L335 K336 F337 W348 | L271-F333 HydrophobicContact CD1-CB 4.21Å; V329-F333 HydrophobicContact CG1-CD2 3.68Å; V329-F333 HydrophobicContact CG1-CE2 3.73Å; V329-F333 WeakPolarHBondContact O-CD2 3.32Å; V329-F333 PolarHBondContact O-N 3.48Å; I330-F333 PolarHBondContact O-N 3.5Å; F333-L335 VanDerWaalsContact C-N 3.34Å; F333-K336 HydrophobicContact CD1-CD 4.04Å; F333-K336 HydrophobicContact CE1-CD 4.08Å; F333-K336 PolarHBondContact O-N 3.49Å; F333-F337 HydrophobicContact CB-CD2 4.26Å; F333-F337 HydrophobicContact CB-CE2 4.11Å; F333-F337 HydrophobicContact CD1-CD2 4.31Å; F333-F337 AromaticContact CD1-CE2 3.51Å; F333-F337 HydrophobicContact CD1-CE2 3.51Å; F333-F337 AromaticContact CD1-CZ 3.69Å; F333-F337 HydrophobicContact CD1-CZ 3.69Å; F333-F337 HydrophobicContact CE1-CE2 4.38Å; F333-F337 HydrophobicContact CE1-CZ 4.17Å; F333-F337 HydrophobicContact CG-CE2 4.23Å; F333-F337 VanDerWaalsContact O-CD2 3.26Å; F333-F337 WeakPolarHBondContact O-CD2 3.47Å; F333-F337 WeakPolarHBondContact O-CG 3.35Å; F333-F337 PolarHBondContact O-N 2.92Å; F333-W348 HydrophobicContact CB-CH2 4.32Å; F333-W348 HydrophobicContact CB-CZ2 4.37Å; F333-W348 AromaticContact CD1-CE3 3.98Å; F333-W348 HydrophobicContact CD1-CE3 3.98Å; F333-W348 HydrophobicContact CD1-CH2 4.19Å; F333-W348 AromaticContact CD1-CZ3 3.71Å; F333-W348 HydrophobicContact CD1-CZ3 3.71Å; F333-W348 AromaticContact CD2-CH2 3.43Å; F333-W348 HydrophobicContact CD2-CH2 3.43Å; F333-W348 VanDerWaalsContact CD2-CH2 3.43Å; F333-W348 HydrophobicContact CD2-CZ2 4.24Å; F333-W348 AromaticContact CD2-CZ3 3.67Å; F333-W348 HydrophobicContact CD2-CZ3 3.67Å; F333-W348 HydrophobicContact CE1-CE3 4Å; F333-W348 HydrophobicContact CE1-CH2 4.36Å; F333-W348 AromaticContact CE1-CZ3 3.59Å; F333-W348 HydrophobicContact CE1-CZ3 3.59Å; F333-W348 AromaticContact CE2-CH2 3.65Å; F333-W348 HydrophobicContact CE2-CH2 3.65Å; F333-W348 AromaticContact CE2-CZ3 3.57Å; F333-W348 HydrophobicContact CE2-CZ3 3.57Å; F333-W348 HydrophobicContact CG-CE3 4.3Å; F333-W348 AromaticContact CG-CH2 3.72Å; F333-W348 HydrophobicContact CG-CH2 3.72Å; F333-W348 HydrophobicContact CG-CZ2 4.25Å; F333-W348 AromaticContact CG-CZ3 3.75Å; F333-W348 HydrophobicContact CG-CZ3 3.75Å; F333-W348 HydrophobicContact CZ-CE3 4.37Å; F333-W348 HydrophobicContact CZ-CH2 4.12Å; F333-W348 AromaticContact CZ-CZ3 3.53Å; F333-W348 HydrophobicContact CZ-CZ3 3.53Å |
| 334 | D | 94.1 | Very high | 91.9 | Very high | 1 Ų | 1 | 49.4 Ų | 49.4 | 1% | 0.005 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -60.4 | -42.4 | 167.7 | 177.9 | 84.8 | 0 | 0 | 0 | 111.8 | L271 L272 R278 I330 G331 R338 | L271-D334 HydrophobicContact CB-CB 4.32Å; L272-D334 HydrophobicContact CD1-CB 4.36Å; L272-D334 PolarHBondContact N-OD1 3.29Å; R278-D334 WeakPolarHBondContact CD-OD2 3.5Å; R278-D334 IonicContact NE-OD1 3.9Å; R278-D334 IonicContact NE-OD2 2.81Å; I330-D334 PolarHBondContact O-N 3.33Å; G331-D334 PolarHBondContact O-N 2.86Å; D334-R338 PolarHBondContact O-N 3.42Å; D334-R338 IonicContact OD2-CZ 3.68Å; D334-R338 IonicContact OD2-NE 3.8Å; D334-R338 IonicContact OD2-NH2 3.95Å; D334-R338 PolarHBondContact OD2-NH2 3.45Å |
| 335 | L | 93.5 | Very high | 91.4 | Very high | 87 Ų | 87 | 49.4 Ų | 49.4 | 46% | 0.455 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -62.6 | -43.1 | 173.3 | -73 | 176.8 | 0 | 0 | 0 | 111.9 | W282 G331 G332 F333 | W282-L335 HydrophobicContact CH2-CD1 4.21Å; W282-L335 HydrophobicContact CZ2-CD1 3.48Å; W282-L335 VanDerWaalsContact CZ2-CD1 3.48Å; W282-L335 HydrophobicContact CZ2-CG 4.11Å; G331-L335 PolarHBondContact O-N 3.44Å; G331-L335 VanDerWaalsContact O-N 3.11Å; G332-L335 PolarHBondContact O-N 3.41Å; F333-L335 VanDerWaalsContact C-N 3.34Å |
| 336 | K | 93.2 | Very high | 90.7 | Very high | 149 Ų | 149 | 48.4 Ų | 48.4 | 65% | 0.648 | 24% | 0.24 | S | C | * | . | H | α-helix | trans | -65.5 | -37.3 | -177.6 | -173 | 179.7 | -179.6 | -179.9 | 0 | 113.3 | G332 F333 | G332-K336 PolarHBondContact O-N 2.89Å; F333-K336 HydrophobicContact CD1-CD 4.04Å; F333-K336 HydrophobicContact CE1-CD 4.08Å; F333-K336 PolarHBondContact O-N 3.49Å |
| 337 | F | 91.8 | Very high | 90.3 | Very high | 18 Ų | 18 | 54.3 Ų | 54.3 | 8% | 0.079 | 27% | 0.271 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -100.5 | 9.3 | -174.5 | -59 | -44.3 | 0 | 0 | 0 | 114.1 | L271 F333 G339 E340 Y341 H344 W348 | L271-F337 HydrophobicContact CD1-CD2 4.23Å; F333-F337 HydrophobicContact CB-CD2 4.26Å; F333-F337 HydrophobicContact CB-CE2 4.11Å; F333-F337 HydrophobicContact CD1-CD2 4.31Å; F333-F337 AromaticContact CD1-CE2 3.51Å; F333-F337 HydrophobicContact CD1-CE2 3.51Å; F333-F337 AromaticContact CD1-CZ 3.69Å; F333-F337 HydrophobicContact CD1-CZ 3.69Å; F333-F337 HydrophobicContact CE1-CE2 4.38Å; F333-F337 HydrophobicContact CE1-CZ 4.17Å; F333-F337 HydrophobicContact CG-CE2 4.23Å; F333-F337 VanDerWaalsContact O-CD2 3.26Å; F333-F337 WeakPolarHBondContact O-CD2 3.47Å; F333-F337 WeakPolarHBondContact O-CG 3.35Å; F333-F337 PolarHBondContact O-N 2.92Å; F337-G339 PolarHBondContact O-N 3.35Å; F337-E340 CarbonylContact O-C 3.2Å; F337-E340 PolarHBondContact O-N 3.09Å; F337-Y341 HydrophobicContact CB-CD2 3.84Å; F337-Y341 AromaticContact CD2-CD2 3.92Å; F337-Y341 HydrophobicContact CD2-CD2 3.92Å; F337-Y341 HydrophobicContact CD2-CE2 4.17Å; F337-Y341 HydrophobicContact CG-CD2 4.17Å; F337-Y341 PolarHBondContact O-N 3.27Å; F337-H344 HydrophobicContact CD1-CB 3.7Å; F337-H344 AromaticContact CD1-CD2 3.66Å; F337-H344 AromaticContact CD1-CG 3.73Å; F337-H344 HydrophobicContact CE1-CB 3.62Å; F337-H344 AromaticContact CE1-CG 3.73Å; F337-H344 HydrophobicContact CG-CB 4.27Å; F337-H344 HydrophobicContact CZ-CB 4.13Å; F337-W348 HydrophobicContact CE2-CB 4.01Å; F337-W348 AromaticContact CE2-CD2 3.97Å; F337-W348 HydrophobicContact CE2-CD2 3.97Å; F337-W348 HydrophobicContact CE2-CE3 4.13Å; F337-W348 AromaticContact CE2-CG 3.91Å; F337-W348 HydrophobicContact CE2-CG 3.91Å; F337-W348 HydrophobicContact CZ-CB 4.3Å; F337-W348 HydrophobicContact CZ-CE3 4.43Å |
| 338 | R | 90.6 | Very high | 90.1 | Very high | 115 Ų | 115 | 54.6 Ų | 54.6 | 43% | 0.434 | 27% | 0.272 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -59.1 | 127.7 | -175.9 | -177.4 | 162.7 | -66.2 | 176.4 | 2.5 | 112.7 | D334 E340 | D334-R338 PolarHBondContact O-N 3.42Å; D334-R338 IonicContact OD2-CZ 3.68Å; D334-R338 IonicContact OD2-NE 3.8Å; D334-R338 IonicContact OD2-NH2 3.95Å; D334-R338 PolarHBondContact OD2-NH2 3.45Å; R338-E340 VanDerWaalsContact C-N 3.28Å; R338-E340 PolarHBondContact O-N 3.06Å |
| 339 | G | 86.5 | Confident | 89.7 | Confident | 42 Ų | 42 | 49.1 Ų | 49.1 | 43% | 0.433 | 25% | 0.248 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 86.9 | -22 | -178.8 | 0 | 0 | 0 | 0 | 0 | 114.5 | E269 F337 | E269-G339 CarbonylContact O-C 3.47Å; E269-G339 VanDerWaalsContact O-CA 3.28Å; E269-G339 WeakPolarHBondContact O-CA 3.25Å; E269-G339 PolarHBondContact O-N 2.9Å; F337-G339 PolarHBondContact O-N 3.35Å |
| 340 | E | 87.5 | Confident | 89.2 | Confident | 98 Ų | 98 | 52.3 Ų | 52.3 | 46% | 0.458 | 26% | 0.26 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -134.9 | 20.3 | -172.7 | -53.7 | -152.9 | 138 | 0 | 0 | 114.5 | E269 F337 R338 N342 K343 | E269-E340 PolarHBondContact O-N 3.1Å; E269-E340 VanDerWaalsContact O-N 3.11Å; F337-E340 CarbonylContact O-C 3.2Å; F337-E340 PolarHBondContact O-N 3.09Å; R338-E340 VanDerWaalsContact C-N 3.28Å; R338-E340 PolarHBondContact O-N 3.06Å; E340-N342 VanDerWaalsContact C-N 3.29Å; E340-N342 PolarHBondContact O-N 3.49Å; E340-N342 VanDerWaalsContact O-N 3.11Å; E340-K343 HydrophobicContact CB-CD 4.21Å; E340-K343 WeakPolarHBondContact O-CB 3.31Å; E340-K343 PolarHBondContact O-N 2.92Å; E340-K343 IonicContact OE1-NZ 2.72Å; E340-K343 PolarHBondContact OE1-NZ 2.99Å; E340-K343 WeakPolarHBondContact OE2-CE 3.45Å; E340-K343 IonicContact OE2-NZ 3.17Å; E340-K343 PolarHBondContact OE2-NZ 2.95Å |
| 341 | Y | 86.6 | Confident | 89.1 | Confident | 0 Ų | 0 | 53.3 Ų | 53.3 | 0% | 0 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -51.3 | -41.3 | -171.9 | 176.9 | -114.1 | 0 | 0 | 0 | 114.5 | F246 S266 E269 L271 F337 K343 H344 A345 G430 | F246-Y341 HydrophobicContact CE2-CD1 4.43Å; F246-Y341 AromaticContact CE2-CE1 3.82Å; F246-Y341 HydrophobicContact CE2-CE1 3.82Å; F246-Y341 HydrophobicContact CZ-CE1 4.07Å; S266-Y341 VanDerWaalsContact CB-CE1 3.47Å; S266-Y341 WeakPolarHBondContact OG-CE1 3.22Å; E269-Y341 PolarHBondContact O-N 3.34Å; E269-Y341 VanDerWaalsContact O-N 3.14Å; L271-Y341 HydrophobicContact CB-CD2 3.83Å; L271-Y341 HydrophobicContact CB-CE2 3.86Å; L271-Y341 HydrophobicContact CB-CG 4.25Å; L271-Y341 HydrophobicContact CD1-CD2 4.45Å; L271-Y341 HydrophobicContact CD1-CE2 3.87Å; L271-Y341 HydrophobicContact CG-CD2 4.35Å; L271-Y341 HydrophobicContact CG-CE2 3.86Å; F337-Y341 HydrophobicContact CB-CD2 3.84Å; F337-Y341 AromaticContact CD2-CD2 3.92Å; F337-Y341 HydrophobicContact CD2-CD2 3.92Å; F337-Y341 HydrophobicContact CD2-CE2 4.17Å; F337-Y341 HydrophobicContact CG-CD2 4.17Å; F337-Y341 PolarHBondContact O-N 3.27Å; Y341-K343 PolarHBondContact O-N 3.47Å; Y341-K343 VanDerWaalsContact O-N 3.11Å; Y341-H344 CarbonylContact O-C 3.51Å; Y341-H344 WeakPolarHBondContact O-CA 3.42Å; Y341-H344 PolarHBondContact O-N 3.48Å; Y341-A345 HydrophobicContact CD1-CB 4.23Å; Y341-A345 HydrophobicContact CE1-CB 3.79Å; Y341-A345 HydrophobicContact CE2-CB 4.28Å; Y341-A345 PolarHBondContact O-N 3.17Å; Y341-G430 WeakPolarHBondContact OH-CA 3.49Å |
| 342 | N | 82.9 | Confident | 88.9 | Confident | 24 Ų | 24 | 57.5 Ų | 57.5 | 13% | 0.128 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -58.8 | -25.7 | -179.8 | -177.1 | 57.8 | 0 | 0 | 0 | 114.2 | F246 C249 G250 L268 E340 H344 | F246-N342 PolarHBondContact O-OD1 2.81Å; C249-N342 VanDerWaalsContact C-ND2 3.32Å; G250-N342 PolarHBondContact N-ND2 3.03Å; G250-N342 VanDerWaalsContact N-ND2 3.18Å; L268-N342 HydrophobicContact CD2-CB 4.05Å; L268-N342 WeakPolarHBondContact O-CB 3.47Å; L268-N342 PolarHBondContact O-N 3.18Å; E340-N342 VanDerWaalsContact C-N 3.29Å; E340-N342 PolarHBondContact O-N 3.49Å; E340-N342 VanDerWaalsContact O-N 3.11Å; N342-H344 VanDerWaalsContact C-N 3.27Å; N342-H344 PolarHBondContact O-N 2.98Å |
| 343 | K | 81 | Confident | 88.8 | Confident | 127 Ų | 127 | 61.4 Ų | 61.4 | 55% | 0.552 | 30% | 0.303 | S | S | * | . | H | α-helix | trans | -69.7 | -26.4 | 173.2 | -59.2 | -175 | -167.6 | 171.5 | 0 | 112.7 | E340 Y341 | E340-K343 HydrophobicContact CB-CD 4.21Å; E340-K343 WeakPolarHBondContact O-CB 3.31Å; E340-K343 PolarHBondContact O-N 2.92Å; E340-K343 IonicContact OE1-NZ 2.72Å; E340-K343 PolarHBondContact OE1-NZ 2.99Å; E340-K343 WeakPolarHBondContact OE2-CE 3.45Å; E340-K343 IonicContact OE2-NZ 3.17Å; E340-K343 PolarHBondContact OE2-NZ 2.95Å; Y341-K343 PolarHBondContact O-N 3.47Å; Y341-K343 VanDerWaalsContact O-N 3.11Å |
| 344 | H | 87.2 | Confident | 88.8 | Confident | 71 Ų | 71 | 59.5 Ų | 59.5 | 33% | 0.329 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -109.2 | -14 | -175.3 | -63 | -62.7 | 0 | 0 | 0 | 113.5 | F337 Y341 N342 Q346 L347 W348 | F337-H344 HydrophobicContact CD1-CB 3.7Å; F337-H344 AromaticContact CD1-CD2 3.66Å; F337-H344 AromaticContact CD1-CG 3.73Å; F337-H344 HydrophobicContact CE1-CB 3.62Å; F337-H344 AromaticContact CE1-CG 3.73Å; F337-H344 HydrophobicContact CG-CB 4.27Å; F337-H344 HydrophobicContact CZ-CB 4.13Å; Y341-H344 CarbonylContact O-C 3.51Å; Y341-H344 WeakPolarHBondContact O-CA 3.42Å; Y341-H344 PolarHBondContact O-N 3.48Å; N342-H344 VanDerWaalsContact C-N 3.27Å; N342-H344 PolarHBondContact O-N 2.98Å; H344-Q346 PolarHBondContact O-N 3.32Å; H344-L347 PolarHBondContact O-N 3.33Å; H344-L347 VanDerWaalsContact O-N 3.16Å; H344-W348 WeakPolarHBondContact O-CB 3.48Å; H344-W348 PolarHBondContact O-N 3.04Å |
| 345 | A | 84.6 | Confident | 88.7 | Confident | 0 Ų | 0 | 60.8 Ų | 60.8 | 0% | 0 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -52.4 | -49.5 | -171.5 | 0 | 0 | 0 | 0 | 0 | 113.4 | F246 Y341 W348 M349 | F246-A345 HydrophobicContact CE2-CB 3.93Å; F246-A345 HydrophobicContact CZ-CB 4.25Å; Y341-A345 HydrophobicContact CD1-CB 4.23Å; Y341-A345 HydrophobicContact CE1-CB 3.79Å; Y341-A345 HydrophobicContact CE2-CB 4.28Å; Y341-A345 PolarHBondContact O-N 3.17Å; A345-W348 PolarHBondContact O-N 2.93Å; A345-M349 HydrophobicContact CB-CE 4.12Å; A345-M349 WeakPolarHBondContact O-CB 3.43Å; A345-M349 VanDerWaalsContact O-CE 3.31Å; A345-M349 WeakPolarHBondContact O-CE 3.37Å; A345-M349 WeakPolarHBondContact O-CG 3.41Å; A345-M349 PolarHBondContact O-N 3.33Å |
| 346 | Q | 82.1 | Confident | 88.8 | Confident | 53 Ų | 53 | 61 Ų | 61 | 25% | 0.248 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -64.4 | -49.4 | 178.2 | -176.6 | 174.7 | 2 | 0 | 0 | 112.1 | Y251 H344 W348 M349 E350 | Y251-Q346 PolarHBondContact OH-NE2 3.24Å; Y251-Q346 PolarHBondContact OH-OE1 2.92Å; H344-Q346 PolarHBondContact O-N 3.32Å; Q346-W348 PolarHBondContact O-N 3.01Å; Q346-M349 PolarHBondContact O-N 3Å; Q346-E350 HydrophobicContact CG-CG 4.32Å; Q346-E350 WeakPolarHBondContact CG-OE1 3.48Å; Q346-E350 PolarHBondContact NE2-OE1 3.07Å; Q346-E350 WeakPolarHBondContact O-CB 3.4Å; Q346-E350 WeakPolarHBondContact O-CG 3.4Å; Q346-E350 PolarHBondContact O-N 3.42Å |
| 347 | L | 86.9 | Confident | 88.9 | Confident | 124 Ų | 124 | 54.7 Ų | 54.7 | 65% | 0.649 | 28% | 0.275 | S | S | * | . | H | α-helix | trans | -61.3 | -33.7 | 178.6 | -70.2 | 171.3 | 0 | 0 | 0 | 112.3 | H344 S351 | H344-L347 PolarHBondContact O-N 3.33Å; H344-L347 VanDerWaalsContact O-N 3.16Å; L347-S351 VanDerWaalsContact O-CB 3.31Å; L347-S351 WeakPolarHBondContact O-CB 3.31Å; L347-S351 PolarHBondContact O-N 2.74Å |
| 348 | W | 91 | Very high | 89 | Confident | 6 Ų | 6 | 53.8 Ų | 53.8 | 2% | 0.023 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -68.2 | -54.8 | 175 | 170.1 | -118.7 | 0 | 0 | 0 | 111.2 | I330 F333 F337 H344 A345 Q346 E350 S351 H353 C354 G430 | I330-W348 HydrophobicContact CD1-CZ2 4.25Å; F333-W348 HydrophobicContact CB-CH2 4.32Å; F333-W348 HydrophobicContact CB-CZ2 4.37Å; F333-W348 AromaticContact CD1-CE3 3.98Å; F333-W348 HydrophobicContact CD1-CE3 3.98Å; F333-W348 HydrophobicContact CD1-CH2 4.19Å; F333-W348 AromaticContact CD1-CZ3 3.71Å; F333-W348 HydrophobicContact CD1-CZ3 3.71Å; F333-W348 AromaticContact CD2-CH2 3.43Å; F333-W348 HydrophobicContact CD2-CH2 3.43Å; F333-W348 VanDerWaalsContact CD2-CH2 3.43Å; F333-W348 HydrophobicContact CD2-CZ2 4.24Å; F333-W348 AromaticContact CD2-CZ3 3.67Å; F333-W348 HydrophobicContact CD2-CZ3 3.67Å; F333-W348 HydrophobicContact CE1-CE3 4Å; F333-W348 HydrophobicContact CE1-CH2 4.36Å; F333-W348 AromaticContact CE1-CZ3 3.59Å; F333-W348 HydrophobicContact CE1-CZ3 3.59Å; F333-W348 AromaticContact CE2-CH2 3.65Å; F333-W348 HydrophobicContact CE2-CH2 3.65Å; F333-W348 AromaticContact CE2-CZ3 3.57Å; F333-W348 HydrophobicContact CE2-CZ3 3.57Å; F333-W348 HydrophobicContact CG-CE3 4.3Å; F333-W348 AromaticContact CG-CH2 3.72Å; F333-W348 HydrophobicContact CG-CH2 3.72Å; F333-W348 HydrophobicContact CG-CZ2 4.25Å; F333-W348 AromaticContact CG-CZ3 3.75Å; F333-W348 HydrophobicContact CG-CZ3 3.75Å; F333-W348 HydrophobicContact CZ-CE3 4.37Å; F333-W348 HydrophobicContact CZ-CH2 4.12Å; F333-W348 AromaticContact CZ-CZ3 3.53Å; F333-W348 HydrophobicContact CZ-CZ3 3.53Å; F337-W348 HydrophobicContact CE2-CB 4.01Å; F337-W348 AromaticContact CE2-CD2 3.97Å; F337-W348 HydrophobicContact CE2-CD2 3.97Å; F337-W348 HydrophobicContact CE2-CE3 4.13Å; F337-W348 AromaticContact CE2-CG 3.91Å; F337-W348 HydrophobicContact CE2-CG 3.91Å; F337-W348 HydrophobicContact CZ-CB 4.3Å; F337-W348 HydrophobicContact CZ-CE3 4.43Å; H344-W348 WeakPolarHBondContact O-CB 3.48Å; H344-W348 PolarHBondContact O-N 3.04Å; A345-W348 PolarHBondContact O-N 2.93Å; Q346-W348 PolarHBondContact O-N 3.01Å; W348-E350 VanDerWaalsContact C-N 3.34Å; W348-E350 PolarHBondContact O-N 2.95Å; W348-S351 VanDerWaalsContact O-CB 3.31Å; W348-S351 WeakPolarHBondContact O-CB 3.45Å; W348-S351 PolarHBondContact O-N 3.19Å; W348-S351 PolarHBondContact O-OG 3.42Å; W348-H353 HydrophobicContact CZ3-CB 3.86Å; W348-C354 HydrophobicContact CD2-CB 4.32Å; W348-C354 HydrophobicContact CE3-CB 4.48Å; W348-C354 HydrophobicContact CH2-CB 4.4Å; W348-C354 HydrophobicContact CZ2-CB 4.23Å; W348-C354 WeakPolarHBondContact O-CB 3.47Å; W348-G430 PolarHBondContact NE1-O 2.95Å |
| 349 | M | 87.7 | Confident | 89.2 | Confident | 3 Ų | 3 | 48.3 Ų | 48.3 | 2% | 0.015 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -66.7 | -33 | -176.7 | -70.6 | -176.5 | -70.1 | 0 | 0 | 112.9 | F246 Q247 A345 Q346 S351 N424 G427 | F246-M349 HydrophobicContact CE1-CE 4.08Å; F246-M349 HydrophobicContact CZ-CE 3.74Å; F246-M349 HydrophobicContact CZ-SD 4.39Å; Q247-M349 HydrophobicContact CB-CE 4.14Å; A345-M349 HydrophobicContact CB-CE 4.12Å; A345-M349 WeakPolarHBondContact O-CB 3.43Å; A345-M349 VanDerWaalsContact O-CE 3.31Å; A345-M349 WeakPolarHBondContact O-CE 3.37Å; A345-M349 WeakPolarHBondContact O-CG 3.41Å; A345-M349 PolarHBondContact O-N 3.33Å; Q346-M349 PolarHBondContact O-N 3Å; M349-S351 VanDerWaalsContact C-N 3.29Å; M349-S351 PolarHBondContact O-N 3.01Å; M349-N424 PolarHBondContact O-ND2 2.96Å; M349-G427 VanDerWaalsContact O-CA 3.32Å; M349-G427 WeakPolarHBondContact O-CA 3.41Å |
| 350 | E | 87.4 | Confident | 89.6 | Confident | 107 Ų | 107 | 48.3 Ų | 48.3 | 50% | 0.5 | 24% | 0.241 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -79.4 | -8.4 | 173.9 | -67.4 | 176 | -170 | 0 | 0 | 113.4 | Q346 W348 | Q346-E350 HydrophobicContact CG-CG 4.32Å; Q346-E350 WeakPolarHBondContact CG-OE1 3.48Å; Q346-E350 PolarHBondContact NE2-OE1 3.07Å; Q346-E350 WeakPolarHBondContact O-CB 3.4Å; Q346-E350 WeakPolarHBondContact O-CG 3.4Å; Q346-E350 PolarHBondContact O-N 3.42Å; W348-E350 VanDerWaalsContact C-N 3.34Å; W348-E350 PolarHBondContact O-N 2.95Å |
| 351 | S | 92.1 | Very high | 90 | Very high | 22 Ų | 22 | 43.7 Ų | 43.7 | 15% | 0.154 | 22% | 0.219 | C | C | . | . | S | Bend | trans | -74 | 149.3 | -176.2 | 73.5 | 0 | 0 | 0 | 0 | 113.9 | L347 W348 M349 H353 C354 Q355 | L347-S351 VanDerWaalsContact O-CB 3.31Å; L347-S351 WeakPolarHBondContact O-CB 3.31Å; L347-S351 PolarHBondContact O-N 2.74Å; W348-S351 VanDerWaalsContact O-CB 3.31Å; W348-S351 WeakPolarHBondContact O-CB 3.45Å; W348-S351 PolarHBondContact O-N 3.19Å; W348-S351 PolarHBondContact O-OG 3.42Å; M349-S351 VanDerWaalsContact C-N 3.29Å; M349-S351 PolarHBondContact O-N 3.01Å; S351-H353 PolarHBondContact O-N 3.24Å; S351-H353 PolarHBondContact OG-N 2.93Å; S351-C354 PolarHBondContact O-N 3.32Å; S351-C354 PolarHBondContact OG-N 3.48Å; S351-C354 VanDerWaalsContact OG-N 3.1Å; S351-Q355 PolarHBondContact O-N 3.47Å |
| 352 | T | 91.1 | Very high | 90.3 | Very high | 88 Ų | 88 | 43.7 Ų | 43.7 | 54% | 0.54 | 22% | 0.219 | S | C | . | . | H | α-helix | trans | -60.2 | -26.3 | 167 | 52.2 | 0 | 0 | 0 | 0 | 112.5 | L356 | T352-L356 WeakPolarHBondContact O-CB 3.28Å; T352-L356 VanDerWaalsContact O-CG 3.26Å; T352-L356 WeakPolarHBondContact O-CG 3.19Å; T352-L356 PolarHBondContact O-N 2.67Å |
| 353 | H | 93.6 | Very high | 91 | Very high | 114 Ų | 114 | 43.2 Ų | 43.2 | 53% | 0.528 | 22% | 0.216 | S | C | . | . | H | α-helix | trans | -64.1 | -50.2 | 174.5 | -61 | -62.3 | 0 | 0 | 0 | 111.4 | W348 S351 Q355 L356 V357 | W348-H353 HydrophobicContact CZ3-CB 3.86Å; S351-H353 PolarHBondContact O-N 3.24Å; S351-H353 PolarHBondContact OG-N 2.93Å; H353-Q355 VanDerWaalsContact C-N 3.32Å; H353-Q355 PolarHBondContact O-N 3.3Å; H353-L356 PolarHBondContact O-N 2.95Å; H353-V357 VanDerWaalsContact O-CB 3.32Å; H353-V357 WeakPolarHBondContact O-CB 3.42Å; H353-V357 WeakPolarHBondContact O-CG2 3.45Å; H353-V357 PolarHBondContact O-N 3.45Å |
| 354 | C | 93.1 | Very high | 91.6 | Very high | 0 Ų | 0 | 37.2 Ų | 37.2 | 0% | 0 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -60.3 | -44.1 | 176.5 | -179.4 | 0 | 0 | 0 | 0 | 111.2 | W348 S351 L356 V357 G358 C432 | W348-C354 HydrophobicContact CD2-CB 4.32Å; W348-C354 HydrophobicContact CE3-CB 4.48Å; W348-C354 HydrophobicContact CH2-CB 4.4Å; W348-C354 HydrophobicContact CZ2-CB 4.23Å; W348-C354 WeakPolarHBondContact O-CB 3.47Å; S351-C354 PolarHBondContact O-N 3.32Å; S351-C354 PolarHBondContact OG-N 3.48Å; S351-C354 VanDerWaalsContact OG-N 3.1Å; C354-L356 PolarHBondContact O-N 2.99Å; C354-V357 PolarHBondContact O-N 3.35Å; C354-G358 PolarHBondContact O-N 2.9Å; C354-C432 WeakPolarHBondContact CA-SG 3.41Å; C354-C432 HydrophobicContact CB-CB 4.2Å; C354-C432 WeakPolarHBondContact CB-SG 3.39Å; C354-C432 VanDerWaalsContact O-CB 3.27Å; C354-C432 WeakPolarHBondContact O-CB 3.28Å; C354-C432 WeakPolarHBondContact SG-CB 3.4Å; C354-C432 CovalentContact SG-SG 2.03Å; C354-C432 PolarHBondContact SG-SG 3.05Å |
| 355 | Q | 93.1 | Very high | 91.9 | Very high | 29 Ų | 29 | 34.2 Ų | 34.2 | 14% | 0.136 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -59.4 | -48.3 | 177.2 | -70.2 | 175.5 | -4.3 | 0 | 0 | 113.1 | S351 H353 G358 S359 L416 N424 | S351-Q355 PolarHBondContact O-N 3.47Å; H353-Q355 VanDerWaalsContact C-N 3.32Å; H353-Q355 PolarHBondContact O-N 3.3Å; Q355-G358 PolarHBondContact O-N 3.34Å; Q355-S359 PolarHBondContact O-N 3.17Å; Q355-S359 PolarHBondContact O-OG 2.97Å; Q355-L416 HydrophobicContact CB-CD2 3.87Å; Q355-L416 HydrophobicContact CG-CD2 4.35Å; Q355-N424 PolarHBondContact NE2-OD1 3.1Å |
| 356 | L | 94.4 | Very high | 92.3 | Very high | 92 Ų | 92 | 34.4 Ų | 34.4 | 48% | 0.482 | 18% | 0.178 | S | C | . | . | H | α-helix | trans | -66.8 | -36.7 | 178.4 | -71.4 | 171 | 0 | 0 | 0 | 112.7 | T352 H353 C354 L360 F413 L416 | T352-L356 WeakPolarHBondContact O-CB 3.28Å; T352-L356 VanDerWaalsContact O-CG 3.26Å; T352-L356 WeakPolarHBondContact O-CG 3.19Å; T352-L356 PolarHBondContact O-N 2.67Å; H353-L356 PolarHBondContact O-N 2.95Å; C354-L356 PolarHBondContact O-N 2.99Å; L356-L360 WeakPolarHBondContact O-CB 3.33Å; L356-L360 PolarHBondContact O-N 3.28Å; L356-F413 HydrophobicContact CD2-CE1 4.11Å; L356-L416 HydrophobicContact CD2-CD1 4.44Å |
| 357 | V | 95 | Very high | 92.9 | Very high | 15 Ų | 15 | 31.9 Ų | 31.9 | 9% | 0.091 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -65.6 | -41.2 | 175.7 | 168.6 | 0 | 0 | 0 | 0 | 110.5 | Y326 V329 I330 H353 C354 L360 A361 | Y326-V357 HydrophobicContact CD2-CG1 3.45Å; Y326-V357 VanDerWaalsContact CD2-CG1 3.45Å; Y326-V357 WeakPolarHBondContact CD2-O 3.48Å; Y326-V357 HydrophobicContact CE2-CG1 3.76Å; V329-V357 HydrophobicContact CB-CG2 4.31Å; V329-V357 HydrophobicContact CG1-CG1 4.41Å; V329-V357 HydrophobicContact CG1-CG2 3.59Å; I330-V357 HydrophobicContact CD1-CG1 3.91Å; I330-V357 HydrophobicContact CG1-CG1 4.3Å; H353-V357 VanDerWaalsContact O-CB 3.32Å; H353-V357 WeakPolarHBondContact O-CB 3.42Å; H353-V357 WeakPolarHBondContact O-CG2 3.45Å; H353-V357 PolarHBondContact O-N 3.45Å; C354-V357 PolarHBondContact O-N 3.35Å; V357-L360 WeakPolarHBondContact O-CB 3.48Å; V357-L360 PolarHBondContact O-N 2.94Å; V357-A361 PolarHBondContact O-N 2.8Å |
| 358 | G | 94 | Very high | 93.2 | Very high | 0 Ų | 0 | 26.2 Ų | 26.2 | 0% | 0 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -65.7 | -44.7 | 173.4 | 0 | 0 | 0 | 0 | 0 | 113.9 | C354 Q355 L360 A361 I362 Y426 C432 | C354-G358 PolarHBondContact O-N 2.9Å; Q355-G358 PolarHBondContact O-N 3.34Å; G358-L360 VanDerWaalsContact C-N 3.27Å; G358-L360 PolarHBondContact O-N 3.15Å; G358-A361 PolarHBondContact O-N 2.81Å; G358-I362 PolarHBondContact O-N 3.44Å; G358-I362 VanDerWaalsContact O-N 3.13Å; G358-Y426 VanDerWaalsContact C-CE1 3.4Å; G358-Y426 WeakPolarHBondContact O-CE1 3.32Å; G358-C432 WeakPolarHBondContact CA-O 3.23Å |
| 359 | S | 95.1 | Very high | 93.2 | Very high | 0 Ų | 0 | 26.2 Ų | 26.2 | 0% | 0 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -57.6 | -40.3 | 171.8 | -75.1 | 0 | 0 | 0 | 0 | 111.8 | Q355 A361 I362 L363 A412 Y426 | Q355-S359 PolarHBondContact O-N 3.17Å; Q355-S359 PolarHBondContact O-OG 2.97Å; S359-A361 VanDerWaalsContact C-N 3.34Å; S359-A361 PolarHBondContact O-N 3.44Å; S359-I362 PolarHBondContact O-N 3.1Å; S359-L363 WeakPolarHBondContact O-CB 3.3Å; S359-L363 PolarHBondContact O-N 3.25Å; S359-A412 WeakPolarHBondContact CB-O 3.3Å; S359-A412 WeakPolarHBondContact O-CB 3.11Å; S359-A412 PolarHBondContact OG-O 2.58Å; S359-Y426 VanDerWaalsContact OG-CE2 3.29Å; S359-Y426 WeakPolarHBondContact OG-CE2 3.36Å |
| 360 | L | 95.6 | Very high | 93.5 | Very high | 42 Ų | 42 | 28.1 Ų | 28.1 | 22% | 0.22 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -63.1 | -39.4 | 177.5 | -169.4 | 67.8 | 0 | 0 | 0 | 112.4 | L322 I325 L356 V357 G358 L363 S364 | L322-L360 HydrophobicContact CB-CD1 3.93Å; L322-L360 HydrophobicContact CB-CG 4.1Å; L322-L360 HydrophobicContact CD1-CD1 4.05Å; L322-L360 HydrophobicContact CD2-CD1 4.13Å; L322-L360 HydrophobicContact CG-CD1 4.24Å; I325-L360 HydrophobicContact CB-CD2 4.21Å; I325-L360 HydrophobicContact CG2-CD2 3.81Å; L356-L360 WeakPolarHBondContact O-CB 3.33Å; L356-L360 PolarHBondContact O-N 3.28Å; V357-L360 WeakPolarHBondContact O-CB 3.48Å; V357-L360 PolarHBondContact O-N 2.94Å; G358-L360 VanDerWaalsContact C-N 3.27Å; G358-L360 PolarHBondContact O-N 3.15Å; L360-L363 PolarHBondContact O-N 3.19Å; L360-S364 WeakPolarHBondContact O-CB 3.48Å; L360-S364 PolarHBondContact O-N 2.03Å |
| 361 | A | 94.9 | Very high | 93.7 | Very high | 0 Ų | 0 | 23 Ų | 23 | 0% | 0 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -64.2 | -46.8 | 176 | 0 | 0 | 0 | 0 | 0 | 112 | M323 Y326 V357 G358 S359 S364 T365 F433 | M323-A361 HydrophobicContact CE-CB 4.48Å; Y326-A361 HydrophobicContact CD1-CB 4.15Å; Y326-A361 HydrophobicContact CD2-CB 3.69Å; Y326-A361 HydrophobicContact CE1-CB 4.36Å; Y326-A361 HydrophobicContact CE2-CB 3.94Å; Y326-A361 HydrophobicContact CG-CB 3.82Å; V357-A361 PolarHBondContact O-N 2.8Å; G358-A361 PolarHBondContact O-N 2.81Å; S359-A361 VanDerWaalsContact C-N 3.34Å; S359-A361 PolarHBondContact O-N 3.44Å; A361-S364 WeakPolarHBondContact O-CB 3.26Å; A361-S364 PolarHBondContact O-N 3.07Å; A361-T365 WeakPolarHBondContact O-CG2 3.36Å; A361-T365 PolarHBondContact O-N 3.09Å; A361-F433 HydrophobicContact CB-CD2 3.72Å; A361-F433 HydrophobicContact CB-CE2 3.9Å |
| 362 | I | 94.1 | Very high | 93.5 | Very high | 0 Ų | 0 | 22.3 Ų | 22.3 | 0% | 0 | 12% | 0.118 | C | C | . | . | H | α-helix | trans | -64.4 | -42.6 | 176 | -66.9 | -164.3 | 0 | 0 | 0 | 111.2 | G358 S359 S364 T365 E366 V411 A412 Y425 Y426 F433 P434 | G358-I362 PolarHBondContact O-N 3.44Å; G358-I362 VanDerWaalsContact O-N 3.13Å; S359-I362 PolarHBondContact O-N 3.1Å; I362-S364 PolarHBondContact O-N 3.24Å; I362-T365 PolarHBondContact O-N 3.07Å; I362-T365 PolarHBondContact O-OG1 3.12Å; I362-E366 HydrophobicContact CG2-CG 3.74Å; I362-E366 WeakPolarHBondContact O-CB 3.37Å; I362-E366 WeakPolarHBondContact O-CG 3.32Å; I362-E366 PolarHBondContact O-N 3.46Å; I362-V411 HydrophobicContact CG2-CG1 4.17Å; I362-A412 HydrophobicContact CB-CB 4.48Å; I362-A412 HydrophobicContact CG2-CB 4.26Å; I362-Y425 HydrophobicContact CD1-CE1 4.16Å; I362-Y426 HydrophobicContact CD1-CE1 3.59Å; I362-Y426 HydrophobicContact CG1-CE1 4Å; I362-F433 HydrophobicContact CG1-CE2 4.41Å; I362-P434 HydrophobicContact CD1-CG 3.77Å |
| 363 | L | 96.1 | Very high | 93.5 | Very high | 15 Ų | 15 | 18.8 Ų | 18.8 | 8% | 0.079 | 10% | 0.096 | C | C | . | . | H | α-helix | trans | -55.9 | -42.8 | 175.5 | -179.4 | 61.1 | 0 | 0 | 0 | 110.8 | L322 S359 L360 V367 W405 G408 F409 A412 F413 | L322-L363 HydrophobicContact CD1-CD2 3.85Å; L322-L363 HydrophobicContact CD1-CG 4.08Å; S359-L363 WeakPolarHBondContact O-CB 3.3Å; S359-L363 PolarHBondContact O-N 3.25Å; L360-L363 PolarHBondContact O-N 3.19Å; L363-V367 HydrophobicContact CD1-CG2 3.77Å; L363-V367 VanDerWaalsContact O-CB 3.22Å; L363-V367 WeakPolarHBondContact O-CB 3.33Å; L363-V367 WeakPolarHBondContact O-CG2 3.39Å; L363-V367 PolarHBondContact O-N 3.08Å; L363-W405 HydrophobicContact CD1-CE3 4.42Å; L363-W405 HydrophobicContact CD1-CZ3 4.4Å; L363-W405 HydrophobicContact CD2-CZ3 4.39Å; L363-W405 HydrophobicContact CG-CZ3 4.33Å; L363-G408 VanDerWaalsContact CD1-C 3.44Å; L363-F409 HydrophobicContact CD1-CB 4.42Å; L363-A412 HydrophobicContact CB-CB 3.65Å; L363-A412 HydrophobicContact CD1-CB 4.29Å; L363-F413 HydrophobicContact CD2-CE2 4.39Å |
| 364 | S | 95.4 | Very high | 93.4 | Very high | 1 Ų | 1 | 15 Ų | 15 | 1% | 0.007 | 8% | 0.079 | C | C | . | . | H | α-helix | trans | -63.2 | -48.5 | 177 | -169 | 0 | 0 | 0 | 0 | 112.8 | A319 M323 L360 A361 I362 S368 | A319-S364 PolarHBondContact O-OG 2.95Å; M323-S364 VanDerWaalsContact CB-OG 3.3Å; M323-S364 WeakPolarHBondContact CB-OG 3.29Å; M323-S364 PolarHBondContact N-OG 3.29Å; M323-S364 VanDerWaalsContact N-OG 3.1Å; L360-S364 WeakPolarHBondContact O-CB 3.48Å; L360-S364 PolarHBondContact O-N 2.03Å; A361-S364 WeakPolarHBondContact O-CB 3.26Å; A361-S364 PolarHBondContact O-N 3.07Å; I362-S364 PolarHBondContact O-N 3.24Å; S364-S368 VanDerWaalsContact O-CB 3.28Å; S364-S368 WeakPolarHBondContact O-CB 3.44Å; S364-S368 PolarHBondContact O-N 2.84Å; S364-S368 VanDerWaalsContact O-N 3.13Å; S364-S368 PolarHBondContact O-OG 2.97Å; S364-S368 VanDerWaalsContact O-OG 3.08Å |
| 365 | T | 92.4 | Very high | 93 | Very high | 8 Ų | 8 | 15.2 Ų | 15.2 | 5% | 0.049 | 8% | 0.08 | C | C | . | . | H | α-helix | trans | -68.5 | -50.2 | -175.2 | 57 | 0 | 0 | 0 | 0 | 111.8 | M323 A361 I362 S368 V369 L539 | M323-T365 HydrophobicContact CE-CG2 3.52Å; A361-T365 WeakPolarHBondContact O-CG2 3.36Å; A361-T365 PolarHBondContact O-N 3.09Å; I362-T365 PolarHBondContact O-N 3.07Å; I362-T365 PolarHBondContact O-OG1 3.12Å; T365-S368 PolarHBondContact O-N 3.44Å; T365-V369 WeakPolarHBondContact O-CG2 3.27Å; T365-V369 PolarHBondContact O-N 3.34Å; T365-L539 HydrophobicContact CG2-CD1 3.71Å; T365-L539 HydrophobicContact CG2-CD2 3.78Å; T365-L539 HydrophobicContact CG2-CG 3.89Å |
| 366 | E | 92.8 | Very high | 92.6 | Very high | 3 Ų | 3 | 14 Ų | 14 | 1% | 0.014 | 8% | 0.075 | C | C | . | . | H | α-helix | trans | -69.6 | -40.1 | -172.3 | -58.5 | -52.2 | 115.8 | 0 | 0 | 111.4 | I362 V369 L370 V411 I452 N457 | I362-E366 HydrophobicContact CG2-CG 3.74Å; I362-E366 WeakPolarHBondContact O-CB 3.37Å; I362-E366 WeakPolarHBondContact O-CG 3.32Å; I362-E366 PolarHBondContact O-N 3.46Å; E366-V369 PolarHBondContact O-N 3.36Å; E366-L370 WeakPolarHBondContact O-CB 3.42Å; E366-L370 VanDerWaalsContact O-CG 3.25Å; E366-L370 WeakPolarHBondContact O-CG 3.33Å; E366-L370 PolarHBondContact O-N 3.21Å; E366-V411 HydrophobicContact CG-CG1 4.09Å; E366-I452 VanDerWaalsContact CD-CG2 3.44Å; E366-I452 HydrophobicContact CG-CG2 4.22Å; E366-I452 WeakPolarHBondContact OE2-CG2 3.42Å; E366-N457 PolarHBondContact OE1-ND2 3.12Å; E366-N457 PolarHBondContact OE2-ND2 2.89Å; E366-N457 PolarHBondContact OE2-OD1 3.34Å |
| 367 | V | 95.4 | Very high | 92.3 | Very high | 0 Ų | 0 | 12.8 Ų | 12.8 | 0% | 0 | 7% | 0.068 | C | C | . | . | H | α-helix | trans | -64.4 | -43 | 173.4 | 174 | 0 | 0 | 0 | 0 | 110.5 | A319 L363 L370 L371 I404 W405 | A319-V367 HydrophobicContact CB-CB 4.14Å; A319-V367 HydrophobicContact CB-CG1 3.73Å; L363-V367 HydrophobicContact CD1-CG2 3.77Å; L363-V367 VanDerWaalsContact O-CB 3.22Å; L363-V367 WeakPolarHBondContact O-CB 3.33Å; L363-V367 WeakPolarHBondContact O-CG2 3.39Å; L363-V367 PolarHBondContact O-N 3.08Å; V367-L370 PolarHBondContact O-N 3.3Å; V367-L371 HydrophobicContact CG1-CD1 3.64Å; V367-L371 HydrophobicContact CG1-CG 4.08Å; V367-L371 VanDerWaalsContact O-CB 3.29Å; V367-L371 WeakPolarHBondContact O-CB 3.15Å; V367-L371 WeakPolarHBondContact O-CG 3.42Å; V367-L371 PolarHBondContact O-N 3.3Å; V367-I404 HydrophobicContact CG1-CG2 4.21Å; V367-W405 HydrophobicContact CG1-CD2 4.01Å; V367-W405 HydrophobicContact CG1-CE3 4.23Å; V367-W405 HydrophobicContact CG1-CH2 4.21Å; V367-W405 HydrophobicContact CG1-CZ2 3.97Å; V367-W405 HydrophobicContact CG1-CZ3 4.33Å; V367-W405 HydrophobicContact CG2-CD2 4.47Å; V367-W405 HydrophobicContact CG2-CE3 4.09Å; V367-W405 HydrophobicContact CG2-CZ3 4.37Å |
| 368 | S | 92.9 | Very high | 91.7 | Very high | 6 Ų | 6 | 13 Ų | 13 | 4% | 0.042 | 7% | 0.068 | C | C | . | . | H | α-helix | trans | -61.6 | -45.5 | 177.4 | -73.8 | 0 | 0 | 0 | 0 | 112 | A319 D320 S364 T365 L371 L372 | A319-S368 WeakPolarHBondContact CB-OG 3.39Å; D320-S368 PolarHBondContact OD1-OG 3.2Å; S364-S368 VanDerWaalsContact O-CB 3.28Å; S364-S368 WeakPolarHBondContact O-CB 3.44Å; S364-S368 PolarHBondContact O-N 2.84Å; S364-S368 VanDerWaalsContact O-N 3.13Å; S364-S368 PolarHBondContact O-OG 2.97Å; S364-S368 VanDerWaalsContact O-OG 3.08Å; T365-S368 PolarHBondContact O-N 3.44Å; S368-L371 PolarHBondContact O-N 2.91Å; S368-L372 WeakPolarHBondContact O-CB 3.16Å; S368-L372 VanDerWaalsContact O-CG 3.22Å; S368-L372 WeakPolarHBondContact O-CG 3.45Å; S368-L372 PolarHBondContact O-N 2.93Å |
| 369 | V | 91.4 | Very high | 91 | Very high | 6 Ų | 6 | 14.4 Ų | 14.4 | 4% | 0.036 | 7% | 0.074 | C | C | . | . | H | α-helix | trans | -60.2 | -49.1 | 176.7 | 173.6 | 0 | 0 | 0 | 0 | 111.6 | T365 E366 L371 L372 T373 N457 A460 W510 | T365-V369 WeakPolarHBondContact O-CG2 3.27Å; T365-V369 PolarHBondContact O-N 3.34Å; E366-V369 PolarHBondContact O-N 3.36Å; V369-L371 VanDerWaalsContact C-N 3.33Å; V369-L371 PolarHBondContact O-N 2.98Å; V369-L372 WeakPolarHBondContact O-CB 3.16Å; V369-L372 PolarHBondContact O-N 3.3Å; V369-T373 PolarHBondContact O-N 2.81Å; V369-T373 PolarHBondContact O-OG1 3.15Å; V369-T373 VanDerWaalsContact O-OG1 3.09Å; V369-N457 WeakPolarHBondContact CG1-OD1 3.49Å; V369-A460 HydrophobicContact CG1-CB 3.42Å; V369-A460 VanDerWaalsContact CG1-CB 3.42Å; V369-W510 HydrophobicContact CG2-CH2 3.91Å; V369-W510 HydrophobicContact CG2-CZ2 3.16Å |
| 370 | L | 93.1 | Very high | 90.4 | Very high | 43 Ų | 43 | 16 Ų | 16 | 23% | 0.225 | 8% | 0.081 | C | C | . | . | H | α-helix | trans | -63.8 | -37.4 | 179.7 | -68.6 | 173.1 | 0 | 0 | 0 | 112.4 | E366 V367 F374 I404 T407 I456 | E366-L370 WeakPolarHBondContact O-CB 3.42Å; E366-L370 VanDerWaalsContact O-CG 3.25Å; E366-L370 WeakPolarHBondContact O-CG 3.33Å; E366-L370 PolarHBondContact O-N 3.21Å; V367-L370 PolarHBondContact O-N 3.3Å; L370-F374 WeakPolarHBondContact O-CB 3.45Å; L370-F374 PolarHBondContact O-N 3.18Å; L370-I404 HydrophobicContact CB-CG1 4.31Å; L370-I404 HydrophobicContact CB-CG2 3.63Å; L370-I404 HydrophobicContact CD1-CG2 4.25Å; L370-T407 HydrophobicContact CD1-CG2 4.27Å; L370-I456 HydrophobicContact CD2-CG2 4.5Å |
| 371 | L | 92.3 | Very high | 89.7 | Confident | 0 Ų | 0 | 16.9 Ų | 16.9 | 0% | 0 | 9% | 0.085 | C | C | . | . | H | α-helix | trans | -67.2 | -39.1 | 173.8 | -73.5 | 175.5 | 0 | 0 | 0 | 112.2 | L316 A319 V367 S368 V369 F374 L375 L401 I404 | L316-L371 HydrophobicContact CB-CD1 4.31Å; L316-L371 HydrophobicContact CD1-CB 4.18Å; L316-L371 HydrophobicContact CD1-CD1 4.47Å; A319-L371 HydrophobicContact CB-CD1 4.45Å; V367-L371 HydrophobicContact CG1-CD1 3.64Å; V367-L371 HydrophobicContact CG1-CG 4.08Å; V367-L371 VanDerWaalsContact O-CB 3.29Å; V367-L371 WeakPolarHBondContact O-CB 3.15Å; V367-L371 WeakPolarHBondContact O-CG 3.42Å; V367-L371 PolarHBondContact O-N 3.3Å; S368-L371 PolarHBondContact O-N 2.91Å; V369-L371 VanDerWaalsContact C-N 3.33Å; V369-L371 PolarHBondContact O-N 2.98Å; L371-F374 PolarHBondContact O-N 3.49Å; L371-L375 WeakPolarHBondContact O-CB 3.16Å; L371-L375 VanDerWaalsContact O-CG 3.27Å; L371-L375 WeakPolarHBondContact O-CG 3.23Å; L371-L375 PolarHBondContact O-N 3.38Å; L371-L401 HydrophobicContact CD2-CD2 3.31Å; L371-I404 HydrophobicContact CD2-CD1 4.06Å; L371-I404 HydrophobicContact CD2-CG2 4.14Å; L371-I404 HydrophobicContact CG-CG2 4.06Å |
| 372 | L | 88.3 | Confident | 88.8 | Confident | 6 Ų | 6 | 19.4 Ų | 19.4 | 3% | 0.031 | 10% | 0.102 | C | C | . | . | H | α-helix | trans | -59.8 | -57.3 | 171.8 | -70.8 | 170.8 | 0 | 0 | 0 | 109.4 | L316 S368 V369 F374 L375 T376 I464 D506 Y550 | L316-L372 HydrophobicContact CD1-CG 4.34Å; L316-L372 HydrophobicContact CD2-CD2 3.9Å; S368-L372 WeakPolarHBondContact O-CB 3.16Å; S368-L372 VanDerWaalsContact O-CG 3.22Å; S368-L372 WeakPolarHBondContact O-CG 3.45Å; S368-L372 PolarHBondContact O-N 2.93Å; V369-L372 WeakPolarHBondContact O-CB 3.16Å; V369-L372 PolarHBondContact O-N 3.3Å; L372-F374 PolarHBondContact O-N 2.95Å; L372-F374 VanDerWaalsContact O-N 3.15Å; L372-L375 WeakPolarHBondContact O-CA 3.47Å; L372-L375 WeakPolarHBondContact O-CB 3.47Å; L372-L375 PolarHBondContact O-N 3.06Å; L372-T376 VanDerWaalsContact O-CG2 3.3Å; L372-T376 WeakPolarHBondContact O-CG2 3.45Å; L372-T376 PolarHBondContact O-N 3.48Å; L372-I464 HydrophobicContact CB-CD1 4.4Å; L372-D506 WeakPolarHBondContact CD1-OD1 3.48Å; L372-Y550 HydrophobicContact CD2-CE2 4.14Å; L372-Y550 WeakPolarHBondContact CD2-OH 3.46Å |
| 373 | T | 90.7 | Very high | 87.9 | Confident | 14 Ų | 14 | 21.8 Ų | 21.8 | 9% | 0.086 | 11% | 0.114 | C | C | . | . | H | α-helix | trans | -54.2 | -38.2 | 178.3 | -49.2 | 0 | 0 | 0 | 0 | 112.9 | V369 T376 L377 A460 I463 I464 | V369-T373 PolarHBondContact O-N 2.81Å; V369-T373 PolarHBondContact O-OG1 3.15Å; V369-T373 VanDerWaalsContact O-OG1 3.09Å; T373-T376 WeakPolarHBondContact CA-OG1 3.28Å; T373-T376 PolarHBondContact O-N 2.92Å; T373-T376 PolarHBondContact O-OG1 3.1Å; T373-L377 HydrophobicContact CG2-CD1 4.1Å; T373-L377 WeakPolarHBondContact O-CB 3.16Å; T373-L377 VanDerWaalsContact O-CG 3.3Å; T373-L377 WeakPolarHBondContact O-CG 3.41Å; T373-L377 PolarHBondContact O-N 3.05Å; T373-A460 WeakPolarHBondContact OG1-CB 3.13Å; T373-I463 HydrophobicContact CG2-CB 4.16Å; T373-I463 HydrophobicContact CG2-CG2 3.68Å; T373-I464 HydrophobicContact CG2-CG1 4.45Å |
| 374 | F | 90.5 | Very high | 87 | Confident | 35 Ų | 35 | 22.6 Ų | 22.6 | 15% | 0.154 | 12% | 0.12 | C | C | . | . | H | α-helix | trans | -64 | -47.9 | 173.9 | 173.8 | -107.6 | 0 | 0 | 0 | 112.6 | L370 L371 L372 T376 L377 E378 T397 V400 L401 I404 | L370-F374 WeakPolarHBondContact O-CB 3.45Å; L370-F374 PolarHBondContact O-N 3.18Å; L371-F374 PolarHBondContact O-N 3.49Å; L372-F374 PolarHBondContact O-N 2.95Å; L372-F374 VanDerWaalsContact O-N 3.15Å; F374-T376 VanDerWaalsContact C-N 3.29Å; F374-T376 PolarHBondContact O-N 3.48Å; F374-L377 PolarHBondContact O-N 2.81Å; F374-E378 PolarHBondContact O-N 3.1Å; F374-T397 HydrophobicContact CE1-CG2 4.15Å; F374-T397 HydrophobicContact CZ-CG2 4.07Å; F374-V400 HydrophobicContact CD2-CG1 3.57Å; F374-V400 HydrophobicContact CE2-CB 4.2Å; F374-V400 HydrophobicContact CE2-CG1 3.67Å; F374-V400 HydrophobicContact CG-CG1 4.18Å; F374-V400 HydrophobicContact CZ-CG1 4.34Å; F374-L401 HydrophobicContact CD1-CD2 4.42Å; F374-L401 HydrophobicContact CE1-CD2 4.46Å; F374-I404 HydrophobicContact CB-CD1 3.96Å; F374-I404 HydrophobicContact CG-CD1 4.32Å |
| 375 | L | 85.7 | Confident | 86.3 | Confident | 5 Ų | 5 | 27.2 Ų | 27.2 | 3% | 0.026 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -59.4 | -38.8 | 176.3 | -75.1 | 168.2 | 0 | 0 | 0 | 111.8 | Y309 I313 L316 L371 L372 K379 | Y309-L375 HydrophobicContact CD2-CD2 3.93Å; Y309-L375 HydrophobicContact CE2-CD2 3.91Å; I313-L375 HydrophobicContact CG1-CD1 4.07Å; I313-L375 HydrophobicContact CG1-CD2 4.26Å; L316-L375 HydrophobicContact CD2-CD1 4.26Å; L371-L375 WeakPolarHBondContact O-CB 3.16Å; L371-L375 VanDerWaalsContact O-CG 3.27Å; L371-L375 WeakPolarHBondContact O-CG 3.23Å; L371-L375 PolarHBondContact O-N 3.38Å; L372-L375 WeakPolarHBondContact O-CA 3.47Å; L372-L375 WeakPolarHBondContact O-CB 3.47Å; L372-L375 PolarHBondContact O-N 3.06Å; L375-K379 WeakPolarHBondContact O-CG 3.13Å; L375-K379 PolarHBondContact O-N 3.27Å |
| 376 | T | 85.2 | Confident | 85.1 | Confident | 4 Ų | 4 | 30.6 Ų | 30.6 | 3% | 0.025 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -70.1 | -43 | 179.4 | 64.1 | 0 | 0 | 0 | 0 | 111.8 | L372 T373 F374 K379 Y380 I464 Y468 | L372-T376 VanDerWaalsContact O-CG2 3.3Å; L372-T376 WeakPolarHBondContact O-CG2 3.45Å; L372-T376 PolarHBondContact O-N 3.48Å; T373-T376 WeakPolarHBondContact CA-OG1 3.28Å; T373-T376 PolarHBondContact O-N 2.92Å; T373-T376 PolarHBondContact O-OG1 3.1Å; F374-T376 VanDerWaalsContact C-N 3.29Å; F374-T376 PolarHBondContact O-N 3.48Å; T376-K379 PolarHBondContact O-N 2.71Å; T376-Y380 WeakPolarHBondContact O-CB 3.21Å; T376-Y380 PolarHBondContact O-N 3.48Å; T376-I464 HydrophobicContact CG2-CG1 4.05Å; T376-I464 HydrophobicContact CG2-CG2 4.25Å; T376-Y468 HydrophobicContact CG2-CD2 4.24Å; T376-Y468 HydrophobicContact CG2-CE2 3.23Å |
| 377 | L | 86.6 | Confident | 83.7 | Confident | 65 Ų | 65 | 40 Ų | 40 | 34% | 0.34 | 20% | 0.201 | S | C | . | . | H | α-helix | trans | -65.8 | -38.7 | 176.9 | -74.3 | 172 | 0 | 0 | 0 | 112.4 | T373 F374 K379 Y380 I381 I463 | T373-L377 HydrophobicContact CG2-CD1 4.1Å; T373-L377 WeakPolarHBondContact O-CB 3.16Å; T373-L377 VanDerWaalsContact O-CG 3.3Å; T373-L377 WeakPolarHBondContact O-CG 3.41Å; T373-L377 PolarHBondContact O-N 3.05Å; F374-L377 PolarHBondContact O-N 2.81Å; L377-K379 VanDerWaalsContact C-N 3.35Å; L377-K379 PolarHBondContact O-N 3.46Å; L377-Y380 PolarHBondContact O-N 3.02Å; L377-I381 WeakPolarHBondContact O-CG1 3.28Å; L377-I381 PolarHBondContact O-N 2.79Å; L377-I463 HydrophobicContact CD1-CG2 4.12Å; L377-I463 HydrophobicContact CD2-CG2 3.87Å; L377-I463 HydrophobicContact CG-CG2 4.07Å |
| 378 | E | 82.5 | Confident | 82.2 | Confident | 20 Ų | 20 | 48 Ų | 48 | 9% | 0.093 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -57 | -48.5 | 173.7 | -173.9 | -166.4 | -127.6 | 0 | 0 | 110.9 | F374 C382 P392 | F374-E378 PolarHBondContact O-N 3.1Å; E378-C382 PolarHBondContact O-N 2.99Å; E378-C382 PolarHBondContact O-SG 3.15Å; E378-C382 VanDerWaalsContact O-SG 3.37Å; E378-P392 HydrophobicContact CG-CG 4.11Å |
| 379 | K | 79.1 | Confident | 80.3 | Confident | 30 Ų | 30 | 54.3 Ų | 54.3 | 13% | 0.13 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -68.2 | -41 | 179.2 | -62.5 | -49.2 | 176.1 | -139 | 0 | 112.7 | Y309 L375 T376 L377 I381 C382 I383 M471 F499 | Y309-K379 VanDerWaalsContact CD2-CE 3.48Å; L375-K379 WeakPolarHBondContact O-CG 3.13Å; L375-K379 PolarHBondContact O-N 3.27Å; T376-K379 PolarHBondContact O-N 2.71Å; L377-K379 VanDerWaalsContact C-N 3.35Å; L377-K379 PolarHBondContact O-N 3.46Å; K379-I381 PolarHBondContact O-N 2.93Å; K379-C382 PolarHBondContact O-N 3.31Å; K379-I383 HydrophobicContact CB-CD1 4.34Å; K379-I383 WeakPolarHBondContact O-CB 3.48Å; K379-I383 WeakPolarHBondContact O-CG1 3.33Å; K379-I383 PolarHBondContact O-N 3.41Å; K379-M471 HydrophobicContact CB-CE 3.7Å; K379-F499 HydrophobicContact CG-CZ 4.25Å |
| 380 | Y | 83.1 | Confident | 79 | Confident | 34 Ų | 34 | 57.2 Ų | 57.2 | 13% | 0.133 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -55 | -51.2 | 176.3 | 168.9 | -106.4 | 0 | 0 | 0 | 111.5 | T376 L377 C382 I383 V384 Y385 S467 | T376-Y380 WeakPolarHBondContact O-CB 3.21Å; T376-Y380 PolarHBondContact O-N 3.48Å; L377-Y380 PolarHBondContact O-N 3.02Å; Y380-C382 PolarHBondContact O-N 2.85Å; Y380-I383 PolarHBondContact O-N 3.01Å; Y380-V384 HydrophobicContact CD2-CB 4.31Å; Y380-V384 HydrophobicContact CD2-CG2 3.67Å; Y380-V384 HydrophobicContact CE2-CB 4.03Å; Y380-V384 HydrophobicContact CE2-CG1 4.21Å; Y380-V384 HydrophobicContact CE2-CG2 3.63Å; Y380-V384 WeakPolarHBondContact O-CB 3.26Å; Y380-V384 PolarHBondContact O-N 3.18Å; Y380-Y385 HydrophobicContact CE1-CE2 4.07Å; Y380-S467 WeakPolarHBondContact CD2-O 3.37Å |
| 381 | I | 81.9 | Confident | 77.6 | Confident | 60 Ų | 60 | 64.9 Ų | 64.9 | 31% | 0.308 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -61 | -44.3 | 179.4 | -65.8 | 167.3 | 0 | 0 | 0 | 111 | L377 K379 I383 Y385 | L377-I381 WeakPolarHBondContact O-CG1 3.28Å; L377-I381 PolarHBondContact O-N 2.79Å; K379-I381 PolarHBondContact O-N 2.93Å; I381-I383 PolarHBondContact O-N 2.88Å; I381-Y385 PolarHBondContact O-N 3.44Å; I381-Y385 VanDerWaalsContact O-N 3.15Å |
| 382 | C | 75.9 | Confident | 76.3 | Confident | 53 Ų | 53 | 65.9 Ų | 65.9 | 36% | 0.358 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -68.6 | -30.1 | -178.5 | -70.7 | 0 | 0 | 0 | 0 | 114.6 | E378 K379 Y380 | E378-C382 PolarHBondContact O-N 2.99Å; E378-C382 PolarHBondContact O-SG 3.15Å; E378-C382 VanDerWaalsContact O-SG 3.37Å; K379-C382 PolarHBondContact O-N 3.31Å; Y380-C382 PolarHBondContact O-N 2.85Å |
| 383 | I | 73.6 | Confident | 75.8 | Confident | 49 Ų | 49 | 67.7 Ų | 67.7 | 25% | 0.251 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -90.9 | -45 | -176.3 | -67.7 | 165.9 | 0 | 0 | 0 | 111.2 | K379 Y380 I381 M471 V475 | K379-I383 HydrophobicContact CB-CD1 4.34Å; K379-I383 WeakPolarHBondContact O-CB 3.48Å; K379-I383 WeakPolarHBondContact O-CG1 3.33Å; K379-I383 PolarHBondContact O-N 3.41Å; Y380-I383 PolarHBondContact O-N 3.01Å; I381-I383 PolarHBondContact O-N 2.88Å; I383-M471 HydrophobicContact CB-CG 4.22Å; I383-M471 HydrophobicContact CD1-CE 4.13Å; I383-M471 HydrophobicContact CD1-CG 3.8Å; I383-M471 HydrophobicContact CD1-SD 3.54Å; I383-M471 VanDerWaalsContact CD1-SD 3.54Å; I383-M471 HydrophobicContact CG2-CG 3.89Å; I383-V475 HydrophobicContact CG2-CG2 3.81Å |
| 384 | V | 79.3 | Confident | 75.4 | Confident | 33 Ų | 33 | 73.8 Ų | 73.8 | 20% | 0.2 | 37% | 0.369 | C | S | . | . | H | α-helix | trans | -82.4 | -27.7 | -174.8 | -179 | 0 | 0 | 0 | 0 | 112.3 | Y380 P386 | Y380-V384 HydrophobicContact CD2-CB 4.31Å; Y380-V384 HydrophobicContact CD2-CG2 3.67Å; Y380-V384 HydrophobicContact CE2-CB 4.03Å; Y380-V384 HydrophobicContact CE2-CG1 4.21Å; Y380-V384 HydrophobicContact CE2-CG2 3.63Å; Y380-V384 WeakPolarHBondContact O-CB 3.26Å; Y380-V384 PolarHBondContact O-N 3.18Å; V384-P386 VanDerWaalsContact C-CD 3.41Å; V384-P386 WeakPolarHBondContact O-CD 3.28Å |
| 385 | Y | 79 | Confident | 75.2 | Confident | 97 Ų | 97 | 77 Ų | 77 | 38% | 0.38 | 39% | 0.394 | S | S | . | . | trans | -124.3 | 60.3 | -179.4 | -57 | -73.9 | 0 | 0 | 0 | 113 | Y380 I381 F387 R388 | Y380-Y385 HydrophobicContact CE1-CE2 4.07Å; I381-Y385 PolarHBondContact O-N 3.44Å; I381-Y385 VanDerWaalsContact O-N 3.15Å; Y385-F387 PolarHBondContact O-N 3.38Å; Y385-F387 VanDerWaalsContact O-N 3.12Å; Y385-R388 PolarHBondContact O-N 2.62Å; Y385-R388 VanDerWaalsContact O-N 3.15Å | ||
| 386 | P | 68.3 | Low | 75.2 | Confident | 80 Ų | 80 | 82.5 Ų | 82.5 | 52% | 0.519 | 42% | 0.415 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61.4 | -26.3 | -172.2 | 24.8 | -34.8 | 0 | 0 | 0 | 114.3 | V384 | V384-P386 VanDerWaalsContact C-CD 3.41Å; V384-P386 WeakPolarHBondContact O-CD 3.28Å |
| 387 | F | 64 | Low | 75.3 | Confident | 199 Ų | 199 | 82.4 Ų | 82.4 | 87% | 0.873 | 41% | 0.414 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -96.5 | -4.5 | -178.7 | -59.3 | -70 | 0 | 0 | 0 | 114.8 | Y385 | Y385-F387 PolarHBondContact O-N 3.38Å; Y385-F387 VanDerWaalsContact O-N 3.12Å |
| 388 | R | 61.9 | Low | 75.5 | Confident | 169 Ų | 169 | 83 Ų | 83 | 64% | 0.638 | 42% | 0.416 | S | S | * | . | S | Bend | trans | -79.6 | 122.5 | 169.5 | -82 | -174.2 | 167 | -174.1 | -4.6 | 108.5 | Y385 V390 | Y385-R388 PolarHBondContact O-N 2.62Å; Y385-R388 VanDerWaalsContact O-N 3.15Å; R388-V390 HydrophobicContact CB-CG2 4.15Å; R388-V390 PolarHBondContact O-N 2.68Å |
| 389 | C | 54.5 | Low | 75.9 | Confident | 139 Ų | 139 | 85.7 Ų | 85.7 | 94% | 0.939 | 44% | 0.435 | S | S | * | . | S | Bend | trans | -69.2 | 44.1 | 177 | -71.6 | 0 | 0 | 0 | 0 | 114.2 | ||
| 390 | V | 63 | Low | 76.5 | Confident | 67 Ų | 67 | 86.4 Ų | 86.4 | 41% | 0.406 | 44% | 0.442 | S | S | . | . | trans | -109.2 | 28.3 | -175 | -169 | 0 | 0 | 0 | 0 | 111.1 | R388 R396 | R388-V390 HydrophobicContact CB-CG2 4.15Å; R388-V390 PolarHBondContact O-N 2.68Å; V390-R396 PolarHBondContact O-NH2 3.09Å | ||
| 391 | R | 63.9 | Low | 77 | Confident | 204 Ų | 204 | 85.6 Ų | 85.6 | 77% | 0.77 | 44% | 0.439 | S | S | * | . | P | Polyproline II helix | trans | -61.2 | 130.4 | 170.8 | -74.4 | -174 | -179.8 | 169.3 | 3 | 109.9 | G393 | R391-G393 PolarHBondContact O-N 3.17Š|
| 392 | P | 66.3 | Low | 77.7 | Confident | 21 Ų | 21 | 87.2 Ų | 87.2 | 14% | 0.136 | 45% | 0.448 | C | S | . | . | P | Polyproline II helix | trans | -66.1 | 118.2 | 177.3 | 23.5 | -29.7 | 0 | 0 | 0 | 111.1 | L308 E378 R396 | L308-P392 WeakPolarHBondContact CD1-O 3.38Å; E378-P392 HydrophobicContact CG-CG 4.11Å; P392-R396 VanDerWaalsContact CA-NH2 3.29Å |
| 393 | G | 76.8 | Confident | 78.6 | Confident | 43 Ų | 43 | 89.2 Ų | 89.2 | 44% | 0.443 | 45% | 0.454 | S | S | . | . | P | Polyproline II helix | trans | -68.6 | 155.5 | 168.6 | 0 | 0 | 0 | 0 | 0 | 111.3 | R391 C395 R396 T397 | R391-G393 PolarHBondContact O-N 3.17Å; G393-C395 VanDerWaalsContact C-N 3.29Å; G393-C395 PolarHBondContact O-N 3.08Å; G393-C395 VanDerWaalsContact O-N 3.16Å; G393-R396 WeakPolarHBondContact O-CB 3.24Å; G393-R396 PolarHBondContact O-N 3.16Å; G393-T397 PolarHBondContact O-N 3.5Å |
| 394 | K | 82.4 | Confident | 79.7 | Confident | 143 Ų | 143 | 87.8 Ų | 87.8 | 62% | 0.622 | 45% | 0.447 | S | S | * | . | H | α-helix | trans | -48.9 | -46 | -174.7 | -177.6 | 178.9 | 177.4 | -167.3 | 0 | 113.6 | L308 T397 I398 | L308-K394 HydrophobicContact CD2-CB 3.82Å; L308-K394 HydrophobicContact CD2-CG 3.77Å; K394-T397 PolarHBondContact O-N 3.23Å; K394-I398 HydrophobicContact CG-CD1 3.87Å; K394-I398 WeakPolarHBondContact O-CG1 3.48Å; K394-I398 PolarHBondContact O-N 2.76Å; K394-I398 VanDerWaalsContact O-N 3.11Å |
| 395 | C | 85.9 | Confident | 80.6 | Confident | 101 Ų | 101 | 89.7 Ų | 89.7 | 68% | 0.682 | 45% | 0.451 | S | S | * | . | H | α-helix | trans | -62.6 | -44.6 | 179.2 | -56.6 | 0 | 0 | 0 | 0 | 111.7 | G393 T397 I398 T399 | G393-C395 VanDerWaalsContact C-N 3.29Å; G393-C395 PolarHBondContact O-N 3.08Å; G393-C395 VanDerWaalsContact O-N 3.16Å; C395-T397 PolarHBondContact O-N 3.33Å; C395-I398 PolarHBondContact O-N 3.14Å; C395-T399 PolarHBondContact O-N 3.21Å; C395-T399 PolarHBondContact O-OG1 2.88Å |
| 396 | R | 86.9 | Confident | 81.4 | Confident | 122 Ų | 122 | 89.1 Ų | 89.1 | 46% | 0.46 | 45% | 0.453 | S | S | . | . | H | α-helix | trans | -60 | -43.7 | 179.5 | -166.2 | 172.1 | 84 | -161.6 | 8.4 | 111.7 | V390 P392 G393 V400 | V390-R396 PolarHBondContact O-NH2 3.09Å; P392-R396 VanDerWaalsContact CA-NH2 3.29Å; G393-R396 WeakPolarHBondContact O-CB 3.24Å; G393-R396 PolarHBondContact O-N 3.16Å; R396-V400 WeakPolarHBondContact O-CG2 3.32Å; R396-V400 PolarHBondContact O-N 3.35Å |
| 397 | T | 86.8 | Confident | 82.7 | Confident | 2 Ų | 2 | 88.6 Ų | 88.6 | 1% | 0.012 | 45% | 0.449 | C | S | . | . | H | α-helix | trans | -61.7 | -46.9 | 175.3 | -56.4 | 0 | 0 | 0 | 0 | 111.5 | F374 G393 K394 C395 V400 L401 | F374-T397 HydrophobicContact CE1-CG2 4.15Å; F374-T397 HydrophobicContact CZ-CG2 4.07Å; G393-T397 PolarHBondContact O-N 3.5Å; K394-T397 PolarHBondContact O-N 3.23Å; C395-T397 PolarHBondContact O-N 3.33Å; T397-V400 PolarHBondContact O-N 3.05Å; T397-L401 HydrophobicContact CG2-CD1 4.15Å; T397-L401 HydrophobicContact CG2-CG 4.48Å; T397-L401 WeakPolarHBondContact O-CG 3.48Å; T397-L401 PolarHBondContact O-N 2.99Å |
| 398 | I | 89.5 | Confident | 84.2 | Confident | 76 Ų | 76 | 79.2 Ų | 79.2 | 39% | 0.39 | 41% | 0.408 | S | S | . | . | H | α-helix | trans | -62.9 | -44.6 | 179.9 | -67.7 | 167.9 | 0 | 0 | 0 | 111.2 | K394 C395 V400 L401 I402 | K394-I398 HydrophobicContact CG-CD1 3.87Å; K394-I398 WeakPolarHBondContact O-CG1 3.48Å; K394-I398 PolarHBondContact O-N 2.76Å; K394-I398 VanDerWaalsContact O-N 3.11Å; C395-I398 PolarHBondContact O-N 3.14Å; I398-V400 PolarHBondContact O-N 2.98Å; I398-L401 PolarHBondContact O-N 3.33Å; I398-I402 HydrophobicContact CG2-CD1 3.79Å; I398-I402 HydrophobicContact CG2-CG1 4.46Å; I398-I402 WeakPolarHBondContact O-CG1 3.39Å; I398-I402 PolarHBondContact O-N 3.33Å |
| 399 | T | 91.8 | Very high | 85.8 | Confident | 77 Ų | 77 | 76.5 Ų | 76.5 | 47% | 0.472 | 40% | 0.401 | S | S | . | . | H | α-helix | trans | -59.2 | -44.4 | 176.4 | -56.5 | 0 | 0 | 0 | 0 | 111.7 | C395 I402 L403 | C395-T399 PolarHBondContact O-N 3.21Å; C395-T399 PolarHBondContact O-OG1 2.88Å; T399-I402 PolarHBondContact O-N 3.04Å; T399-L403 HydrophobicContact CG2-CD1 4.11Å; T399-L403 VanDerWaalsContact O-CG 3.31Å; T399-L403 WeakPolarHBondContact O-CG 3.46Å; T399-L403 PolarHBondContact O-N 3.1Å |
| 400 | V | 92.4 | Very high | 87.8 | Confident | 46 Ų | 46 | 74 Ų | 74 | 28% | 0.279 | 38% | 0.377 | S | S | . | . | H | α-helix | trans | -65 | -42 | 177.7 | 172.8 | 0 | 0 | 0 | 0 | 111.7 | F374 R396 T397 I398 I402 L403 I404 | F374-V400 HydrophobicContact CD2-CG1 3.57Å; F374-V400 HydrophobicContact CE2-CB 4.2Å; F374-V400 HydrophobicContact CE2-CG1 3.67Å; F374-V400 HydrophobicContact CG-CG1 4.18Å; F374-V400 HydrophobicContact CZ-CG1 4.34Å; R396-V400 WeakPolarHBondContact O-CG2 3.32Å; R396-V400 PolarHBondContact O-N 3.35Å; T397-V400 PolarHBondContact O-N 3.05Å; I398-V400 PolarHBondContact O-N 2.98Å; V400-I402 PolarHBondContact O-N 3.4Å; V400-L403 PolarHBondContact O-N 2.98Å; V400-I404 HydrophobicContact CG1-CD1 3.87Å; V400-I404 HydrophobicContact CG1-CG1 4.41Å; V400-I404 WeakPolarHBondContact O-CG1 3.48Å; V400-I404 PolarHBondContact O-N 3.27Å |
| 401 | L | 93.8 | Very high | 89.3 | Confident | 17 Ų | 17 | 71.7 Ų | 71.7 | 9% | 0.089 | 36% | 0.363 | C | S | . | . | H | α-helix | trans | -60.5 | -43.7 | 175.6 | -68.3 | 173.5 | 0 | 0 | 0 | 111.7 | L371 F374 T397 I398 I404 W405 | L371-L401 HydrophobicContact CD2-CD2 3.31Å; F374-L401 HydrophobicContact CD1-CD2 4.42Å; F374-L401 HydrophobicContact CE1-CD2 4.46Å; T397-L401 HydrophobicContact CG2-CD1 4.15Å; T397-L401 HydrophobicContact CG2-CG 4.48Å; T397-L401 WeakPolarHBondContact O-CG 3.48Å; T397-L401 PolarHBondContact O-N 2.99Å; I398-L401 PolarHBondContact O-N 3.33Å; L401-I404 PolarHBondContact O-N 3.38Å; L401-W405 VanDerWaalsContact O-CD1 3.3Å; L401-W405 PolarHBondContact O-N 2.9Å; L401-W405 VanDerWaalsContact O-N 3.12Å |
| 402 | I | 95.2 | Very high | 90.7 | Very high | 93 Ų | 93 | 62 Ų | 62 | 48% | 0.477 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -62.3 | -44.5 | 176.3 | -69 | 167.5 | 0 | 0 | 0 | 110.9 | I398 T399 V400 I404 W405 I406 | I398-I402 HydrophobicContact CG2-CD1 3.79Å; I398-I402 HydrophobicContact CG2-CG1 4.46Å; I398-I402 WeakPolarHBondContact O-CG1 3.39Å; I398-I402 PolarHBondContact O-N 3.33Å; T399-I402 PolarHBondContact O-N 3.04Å; V400-I402 PolarHBondContact O-N 3.4Å; I402-I404 VanDerWaalsContact C-N 3.34Å; I402-I404 PolarHBondContact O-N 3.05Å; I402-W405 PolarHBondContact O-N 3.48Å; I402-I406 HydrophobicContact CG2-CD1 3.73Å; I402-I406 HydrophobicContact CG2-CG1 4.4Å; I402-I406 WeakPolarHBondContact O-CG1 3.21Å; I402-I406 PolarHBondContact O-N 2.73Å |
| 403 | L | 95.8 | Very high | 92 | Very high | 95 Ų | 95 | 63.6 Ų | 63.6 | 50% | 0.497 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -62.4 | -39.2 | 177.2 | -72.1 | 170.8 | 0 | 0 | 0 | 112.4 | T399 V400 I406 T407 | T399-L403 HydrophobicContact CG2-CD1 4.11Å; T399-L403 VanDerWaalsContact O-CG 3.31Å; T399-L403 WeakPolarHBondContact O-CG 3.46Å; T399-L403 PolarHBondContact O-N 3.1Å; V400-L403 PolarHBondContact O-N 2.98Å; L403-I406 PolarHBondContact O-N 3.2Å; L403-T407 WeakPolarHBondContact O-CB 3.15Å; L403-T407 PolarHBondContact O-N 3.37Å; L403-T407 PolarHBondContact O-OG1 3.39Å; L403-T407 VanDerWaalsContact O-OG1 3.06Å |
| 404 | I | 96.3 | Very high | 92.8 | Very high | 19 Ų | 19 | 64.7 Ų | 64.7 | 10% | 0.097 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -61.6 | -45.4 | 175.4 | -70.7 | 166.3 | 0 | 0 | 0 | 110.8 | V367 L370 L371 F374 V400 L401 I402 T407 G408 | V367-I404 HydrophobicContact CG1-CG2 4.21Å; L370-I404 HydrophobicContact CB-CG1 4.31Å; L370-I404 HydrophobicContact CB-CG2 3.63Å; L370-I404 HydrophobicContact CD1-CG2 4.25Å; L371-I404 HydrophobicContact CD2-CD1 4.06Å; L371-I404 HydrophobicContact CD2-CG2 4.14Å; L371-I404 HydrophobicContact CG-CG2 4.06Å; F374-I404 HydrophobicContact CB-CD1 3.96Å; F374-I404 HydrophobicContact CG-CD1 4.32Å; V400-I404 HydrophobicContact CG1-CD1 3.87Å; V400-I404 HydrophobicContact CG1-CG1 4.41Å; V400-I404 WeakPolarHBondContact O-CG1 3.48Å; V400-I404 PolarHBondContact O-N 3.27Å; L401-I404 PolarHBondContact O-N 3.38Å; I402-I404 VanDerWaalsContact C-N 3.34Å; I402-I404 PolarHBondContact O-N 3.05Å; I404-T407 PolarHBondContact O-N 2.95Å; I404-G408 PolarHBondContact O-N 3.38Å |
| 405 | W | 97.4 | Very high | 93.2 | Very high | 74 Ų | 74 | 58.1 Ų | 58.1 | 28% | 0.28 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -64.1 | -40.1 | 175.9 | -83.5 | 102.2 | 0 | 0 | 0 | 112.9 | S315 C318 A319 L322 L363 V367 L401 I402 G408 F409 | S315-W405 PolarHBondContact OG-NE1 3.09Å; C318-W405 HydrophobicContact CB-CZ2 4.13Å; A319-W405 HydrophobicContact CB-CH2 4.08Å; A319-W405 HydrophobicContact CB-CZ2 4.16Å; L322-W405 HydrophobicContact CD1-CH2 4.1Å; L322-W405 HydrophobicContact CD1-CZ3 4.06Å; L363-W405 HydrophobicContact CD1-CE3 4.42Å; L363-W405 HydrophobicContact CD1-CZ3 4.4Å; L363-W405 HydrophobicContact CD2-CZ3 4.39Å; L363-W405 HydrophobicContact CG-CZ3 4.33Å; V367-W405 HydrophobicContact CG1-CD2 4.01Å; V367-W405 HydrophobicContact CG1-CE3 4.23Å; V367-W405 HydrophobicContact CG1-CH2 4.21Å; V367-W405 HydrophobicContact CG1-CZ2 3.97Å; V367-W405 HydrophobicContact CG1-CZ3 4.33Å; V367-W405 HydrophobicContact CG2-CD2 4.47Å; V367-W405 HydrophobicContact CG2-CE3 4.09Å; V367-W405 HydrophobicContact CG2-CZ3 4.37Å; L401-W405 VanDerWaalsContact O-CD1 3.3Å; L401-W405 PolarHBondContact O-N 2.9Å; L401-W405 VanDerWaalsContact O-N 3.12Å; I402-W405 PolarHBondContact O-N 3.48Å; W405-G408 PolarHBondContact O-N 3.02Å; W405-F409 WeakPolarHBondContact O-CB 3.46Å; W405-F409 PolarHBondContact O-N 3.45Å |
| 406 | I | 97.1 | Very high | 93.4 | Very high | 85 Ų | 85 | 55.7 Ų | 55.7 | 44% | 0.436 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -63 | -48.1 | 175.6 | -70.2 | 168.4 | 0 | 0 | 0 | 110.5 | I402 L403 G408 F409 I410 | I402-I406 HydrophobicContact CG2-CD1 3.73Å; I402-I406 HydrophobicContact CG2-CG1 4.4Å; I402-I406 WeakPolarHBondContact O-CG1 3.21Å; I402-I406 PolarHBondContact O-N 2.73Å; L403-I406 PolarHBondContact O-N 3.2Å; I406-G408 PolarHBondContact O-N 2.94Å; I406-F409 PolarHBondContact O-N 3.05Å; I406-I410 HydrophobicContact CG2-CD1 3.74Å; I406-I410 HydrophobicContact CG2-CG1 4.48Å; I406-I410 WeakPolarHBondContact O-CB 3.31Å; I406-I410 VanDerWaalsContact O-CG1 3.27Å; I406-I410 WeakPolarHBondContact O-CG1 3.43Å; I406-I410 PolarHBondContact O-N 2.99Å |
| 407 | T | 95.1 | Very high | 93.4 | Very high | 69 Ų | 69 | 55 Ų | 55 | 42% | 0.423 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -60.6 | -46 | 177.1 | -61.5 | 0 | 0 | 0 | 0 | 111.4 | L370 L403 I404 F409 I410 V411 | L370-T407 HydrophobicContact CD1-CG2 4.27Å; L403-T407 WeakPolarHBondContact O-CB 3.15Å; L403-T407 PolarHBondContact O-N 3.37Å; L403-T407 PolarHBondContact O-OG1 3.39Å; L403-T407 VanDerWaalsContact O-OG1 3.06Å; I404-T407 PolarHBondContact O-N 2.95Å; T407-F409 VanDerWaalsContact C-N 3.35Å; T407-F409 PolarHBondContact O-N 3.05Å; T407-I410 PolarHBondContact O-N 3.2Å; T407-V411 HydrophobicContact CG2-CG2 4.48Å; T407-V411 WeakPolarHBondContact O-CG2 3.27Å; T407-V411 PolarHBondContact O-N 3.48Å |
| 408 | G | 95.7 | Very high | 93.2 | Very high | 1 Ų | 1 | 58.3 Ų | 58.3 | 1% | 0.01 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -60.6 | -41.1 | 176.5 | 0 | 0 | 0 | 0 | 0 | 113 | L363 I404 W405 I406 V411 A412 | L363-G408 VanDerWaalsContact CD1-C 3.44Å; I404-G408 PolarHBondContact O-N 3.38Å; W405-G408 PolarHBondContact O-N 3.02Å; I406-G408 PolarHBondContact O-N 2.94Å; G408-V411 PolarHBondContact O-N 3.14Å; G408-A412 WeakPolarHBondContact O-CB 3.49Å; G408-A412 PolarHBondContact O-N 3.44Å |
| 409 | F | 96.3 | Very high | 92.7 | Very high | 113 Ų | 113 | 61.9 Ų | 61.9 | 50% | 0.496 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -65.3 | -42.9 | 175.4 | -169.8 | -89.4 | 0 | 0 | 0 | 112 | L363 W405 I406 T407 V411 A412 F413 | L363-F409 HydrophobicContact CD1-CB 4.42Å; W405-F409 WeakPolarHBondContact O-CB 3.46Å; W405-F409 PolarHBondContact O-N 3.45Å; I406-F409 PolarHBondContact O-N 3.05Å; T407-F409 VanDerWaalsContact C-N 3.35Å; T407-F409 PolarHBondContact O-N 3.05Å; F409-V411 PolarHBondContact O-N 3.45Å; F409-A412 PolarHBondContact O-N 2.95Å; F409-F413 HydrophobicContact CD1-CD2 4.25Å; F409-F413 AromaticContact CD2-CD2 3.71Å; F409-F413 HydrophobicContact CD2-CD2 3.71Å; F409-F413 AromaticContact CD2-CE2 3.69Å; F409-F413 HydrophobicContact CD2-CE2 3.69Å; F409-F413 HydrophobicContact CE1-CB 4.35Å; F409-F413 HydrophobicContact CE1-CD2 4.17Å; F409-F413 HydrophobicContact CE1-CG 4.22Å; F409-F413 AromaticContact CE2-CD2 3.62Å; F409-F413 HydrophobicContact CE2-CD2 3.62Å; F409-F413 AromaticContact CE2-CE2 3.48Å; F409-F413 HydrophobicContact CE2-CE2 3.48Å; F409-F413 VanDerWaalsContact CE2-CE2 3.48Å; F409-F413 HydrophobicContact CE2-CG 4.22Å; F409-F413 AromaticContact CE2-CZ 3.97Å; F409-F413 HydrophobicContact CE2-CZ 3.97Å; F409-F413 HydrophobicContact CG-CD2 4.04Å; F409-F413 HydrophobicContact CG-CE2 4.45Å; F409-F413 HydrophobicContact CZ-CD1 4.34Å; F409-F413 AromaticContact CZ-CD2 3.86Å; F409-F413 HydrophobicContact CZ-CD2 3.86Å; F409-F413 HydrophobicContact CZ-CE2 4.1Å; F409-F413 HydrophobicContact CZ-CG 4Å; F409-F413 HydrophobicContact CZ-CZ 4.45Å; F409-F413 WeakPolarHBondContact O-CB 3.18Å; F409-F413 WeakPolarHBondContact O-CD2 3.21Å; F409-F413 PolarHBondContact O-N 2.83Å |
| 410 | I | 95.1 | Very high | 92 | Very high | 86 Ų | 86 | 66.7 Ų | 66.7 | 44% | 0.441 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -59.5 | -47.5 | 175.1 | -71 | 168.4 | 0 | 0 | 0 | 110.4 | I406 T407 A412 F413 I414 | I406-I410 HydrophobicContact CG2-CD1 3.74Å; I406-I410 HydrophobicContact CG2-CG1 4.48Å; I406-I410 WeakPolarHBondContact O-CB 3.31Å; I406-I410 VanDerWaalsContact O-CG1 3.27Å; I406-I410 WeakPolarHBondContact O-CG1 3.43Å; I406-I410 PolarHBondContact O-N 2.99Å; T407-I410 PolarHBondContact O-N 3.2Å; I410-A412 PolarHBondContact O-N 3.47Å; I410-F413 PolarHBondContact O-N 2.91Å; I410-I414 HydrophobicContact CG2-CD1 3.41Å; I410-I414 VanDerWaalsContact CG2-CD1 3.41Å; I410-I414 HydrophobicContact CG2-CG1 4.06Å; I410-I414 VanDerWaalsContact O-CB 3.28Å; I410-I414 WeakPolarHBondContact O-CB 3.49Å; I410-I414 WeakPolarHBondContact O-CG1 3.29Å; I410-I414 PolarHBondContact O-N 3.29Å |
| 411 | V | 94 | Very high | 91.5 | Very high | 19 Ų | 19 | 69.4 Ų | 69.4 | 12% | 0.115 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -64.8 | -38.2 | 178.3 | 173.4 | 0 | 0 | 0 | 0 | 112.4 | I362 E366 T407 G408 F409 Y448 I452 | I362-V411 HydrophobicContact CG2-CG1 4.17Å; E366-V411 HydrophobicContact CG-CG1 4.09Å; T407-V411 HydrophobicContact CG2-CG2 4.48Å; T407-V411 WeakPolarHBondContact O-CG2 3.27Å; T407-V411 PolarHBondContact O-N 3.48Å; G408-V411 PolarHBondContact O-N 3.14Å; F409-V411 PolarHBondContact O-N 3.45Å; V411-Y448 WeakPolarHBondContact CA-OH 3.48Å; V411-Y448 PolarHBondContact O-OH 3.04Å; V411-I452 HydrophobicContact CG1-CD1 3.57Å; V411-I452 HydrophobicContact CG1-CG1 3.94Å |
| 412 | A | 94.7 | Very high | 90.9 | Very high | 0 Ų | 0 | 69.4 Ų | 69.4 | 0% | 0 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -77.8 | -20.8 | -178.3 | 0 | 0 | 0 | 0 | 0 | 114.9 | S359 I362 L363 G408 F409 I410 Y426 | S359-A412 WeakPolarHBondContact CB-O 3.3Å; S359-A412 WeakPolarHBondContact O-CB 3.11Å; S359-A412 PolarHBondContact OG-O 2.58Å; I362-A412 HydrophobicContact CB-CB 4.48Å; I362-A412 HydrophobicContact CG2-CB 4.26Å; L363-A412 HydrophobicContact CB-CB 3.65Å; L363-A412 HydrophobicContact CD1-CB 4.29Å; G408-A412 WeakPolarHBondContact O-CB 3.49Å; G408-A412 PolarHBondContact O-N 3.44Å; F409-A412 PolarHBondContact O-N 2.95Å; I410-A412 PolarHBondContact O-N 3.47Å; A412-Y426 PolarHBondContact O-OH 3.03Å |
| 413 | F | 94.2 | Very high | 90.2 | Very high | 54 Ų | 54 | 70.6 Ų | 70.6 | 24% | 0.237 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -118.1 | -15.9 | -173.9 | -72 | -96.4 | 0 | 0 | 0 | 114.5 | L356 L363 F409 I410 P415 L416 | L356-F413 HydrophobicContact CD2-CE1 4.11Å; L363-F413 HydrophobicContact CD2-CE2 4.39Å; F409-F413 HydrophobicContact CD1-CD2 4.25Å; F409-F413 AromaticContact CD2-CD2 3.71Å; F409-F413 HydrophobicContact CD2-CD2 3.71Å; F409-F413 AromaticContact CD2-CE2 3.69Å; F409-F413 HydrophobicContact CD2-CE2 3.69Å; F409-F413 HydrophobicContact CE1-CB 4.35Å; F409-F413 HydrophobicContact CE1-CD2 4.17Å; F409-F413 HydrophobicContact CE1-CG 4.22Å; F409-F413 AromaticContact CE2-CD2 3.62Å; F409-F413 HydrophobicContact CE2-CD2 3.62Å; F409-F413 AromaticContact CE2-CE2 3.48Å; F409-F413 HydrophobicContact CE2-CE2 3.48Å; F409-F413 VanDerWaalsContact CE2-CE2 3.48Å; F409-F413 HydrophobicContact CE2-CG 4.22Å; F409-F413 AromaticContact CE2-CZ 3.97Å; F409-F413 HydrophobicContact CE2-CZ 3.97Å; F409-F413 HydrophobicContact CG-CD2 4.04Å; F409-F413 HydrophobicContact CG-CE2 4.45Å; F409-F413 HydrophobicContact CZ-CD1 4.34Å; F409-F413 AromaticContact CZ-CD2 3.86Å; F409-F413 HydrophobicContact CZ-CD2 3.86Å; F409-F413 HydrophobicContact CZ-CE2 4.1Å; F409-F413 HydrophobicContact CZ-CG 4Å; F409-F413 HydrophobicContact CZ-CZ 4.45Å; F409-F413 WeakPolarHBondContact O-CB 3.18Å; F409-F413 WeakPolarHBondContact O-CD2 3.21Å; F409-F413 PolarHBondContact O-N 2.83Å; I410-F413 PolarHBondContact O-N 2.91Å; F413-P415 VanDerWaalsContact C-CD 3.45Å; F413-P415 VanDerWaalsContact C-N 3.32Å; F413-L416 HydrophobicContact CD1-CD1 3.86Å; F413-L416 HydrophobicContact CE1-CD1 4.37Å; F413-L416 WeakPolarHBondContact O-CB 3.5Å; F413-L416 PolarHBondContact O-N 3.2Å; F413-L416 VanDerWaalsContact O-N 3.09Å |
| 414 | I | 92.8 | Very high | 89.6 | Confident | 67 Ų | 67 | 67.9 Ų | 67.9 | 34% | 0.344 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -48.1 | -44.6 | 173 | -90 | 171.9 | 0 | 0 | 0 | 113.6 | I410 L416 S417 F422 Y448 | I410-I414 HydrophobicContact CG2-CD1 3.41Å; I410-I414 VanDerWaalsContact CG2-CD1 3.41Å; I410-I414 HydrophobicContact CG2-CG1 4.06Å; I410-I414 VanDerWaalsContact O-CB 3.28Å; I410-I414 WeakPolarHBondContact O-CB 3.49Å; I410-I414 WeakPolarHBondContact O-CG1 3.29Å; I410-I414 PolarHBondContact O-N 3.29Å; I414-L416 PolarHBondContact O-N 3.47Å; I414-L416 VanDerWaalsContact O-N 3.1Å; I414-S417 WeakPolarHBondContact O-CB 3.36Å; I414-S417 PolarHBondContact O-N 3.48Å; I414-F422 HydrophobicContact CG2-CE2 3.78Å; I414-F422 HydrophobicContact CG2-CZ 3.6Å; I414-Y448 HydrophobicContact CG2-CE2 3.91Å |
| 415 | P | 90.7 | Very high | 89.2 | Confident | 4 Ų | 4 | 67.2 Ų | 67.2 | 3% | 0.026 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -65.4 | -15.9 | -176.3 | -25 | 36.4 | 0 | 0 | 0 | 114.7 | F413 F422 Y425 Y426 Y448 | F413-P415 VanDerWaalsContact C-CD 3.45Å; F413-P415 VanDerWaalsContact C-N 3.32Å; P415-F422 HydrophobicContact CB-CB 4.32Å; P415-F422 HydrophobicContact CB-CD1 4.1Å; P415-F422 HydrophobicContact CB-CD2 4.46Å; P415-F422 HydrophobicContact CB-CG 4.05Å; P415-F422 WeakPolarHBondContact O-CB 3.38Å; P415-Y425 HydrophobicContact CB-CD1 3.46Å; P415-Y425 VanDerWaalsContact CB-CD1 3.46Å; P415-Y425 HydrophobicContact CB-CE1 4.21Å; P415-Y425 HydrophobicContact CB-CG 3.88Å; P415-Y425 HydrophobicContact CG-CD1 3.62Å; P415-Y425 HydrophobicContact CG-CE1 3.84Å; P415-Y425 HydrophobicContact CG-CG 4.37Å; P415-Y426 HydrophobicContact CB-CE2 3.86Å; P415-Y426 HydrophobicContact CG-CE2 4.19Å; P415-Y448 HydrophobicContact CG-CD1 3.99Å; P415-Y448 HydrophobicContact CG-CE1 3.39Å |
| 416 | L | 89.8 | Confident | 88.8 | Confident | 51 Ų | 51 | 63.8 Ų | 63.8 | 27% | 0.267 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -80.8 | -20 | 176.4 | -53.6 | -174.4 | 0 | 0 | 0 | 112.7 | Q355 L356 F413 I414 Y426 | Q355-L416 HydrophobicContact CB-CD2 3.87Å; Q355-L416 HydrophobicContact CG-CD2 4.35Å; L356-L416 HydrophobicContact CD2-CD1 4.44Å; F413-L416 HydrophobicContact CD1-CD1 3.86Å; F413-L416 HydrophobicContact CE1-CD1 4.37Å; F413-L416 WeakPolarHBondContact O-CB 3.5Å; F413-L416 PolarHBondContact O-N 3.2Å; F413-L416 VanDerWaalsContact O-N 3.09Å; I414-L416 PolarHBondContact O-N 3.47Å; I414-L416 VanDerWaalsContact O-N 3.1Å; L416-Y426 HydrophobicContact CD2-CD2 3.7Å; L416-Y426 HydrophobicContact CD2-CE2 3.79Å; L416-Y426 HydrophobicContact CG-CE2 4.33Å |
| 417 | S | 87.6 | Confident | 88.2 | Confident | 106 Ų | 106 | 60.1 Ų | 60.1 | 74% | 0.741 | 30% | 0.302 | S | S | * | . | H | α-helix | trans | -77.3 | -31.1 | -171.1 | -60.1 | 0 | 0 | 0 | 0 | 114.3 | I414 | I414-S417 WeakPolarHBondContact O-CB 3.36Å; I414-S417 PolarHBondContact O-N 3.48Å |
| 418 | N | 82.6 | Confident | 87.5 | Confident | 73 Ų | 73 | 59.2 Ų | 59.2 | 39% | 0.39 | 30% | 0.296 | S | S | . | . | trans | -132.8 | 99.4 | -177.7 | -173.4 | -24.7 | 0 | 0 | 0 | 111.8 | E420 F421 F422 | N418-E420 VanDerWaalsContact C-N 3.33Å; N418-E420 PolarHBondContact O-N 3.46Å; N418-E420 WeakPolarHBondContact OD1-CB 3.49Å; N418-E420 PolarHBondContact OD1-N 3.13Å; N418-F421 HydrophobicContact CB-CB 4.29Å; N418-F421 PolarHBondContact O-N 3.22Å; N418-F421 PolarHBondContact OD1-N 3.42Å; N418-F422 HydrophobicContact CB-CD2 4.35Å; N418-F422 WeakPolarHBondContact O-CB 3.22Å; N418-F422 WeakPolarHBondContact O-CD2 3.35Å; N418-F422 PolarHBondContact O-N 3.1Å | ||
| 419 | K | 78.6 | Confident | 86.9 | Confident | 150 Ų | 150 | 60 Ų | 60 | 65% | 0.652 | 30% | 0.3 | S | S | * | . | H | α-helix | trans | -69.8 | -22 | 179.2 | -66.4 | -173 | 177.3 | -175 | 0 | 114.3 | K423 | K419-K423 WeakPolarHBondContact O-CA 3.48Å; K419-K423 PolarHBondContact O-N 3.39Å |
| 420 | E | 77.5 | Confident | 86.3 | Confident | 179 Ų | 179 | 54.6 Ų | 54.6 | 84% | 0.836 | 28% | 0.276 | S | S | * | . | H | α-helix | trans | -74.1 | -43 | 175.4 | -62 | -172.3 | 154.6 | 0 | 0 | 110.9 | N418 | N418-E420 VanDerWaalsContact C-N 3.33Å; N418-E420 PolarHBondContact O-N 3.46Å; N418-E420 WeakPolarHBondContact OD1-CB 3.49Å; N418-E420 PolarHBondContact OD1-N 3.13Å |
| 421 | F | 81.8 | Confident | 86.1 | Confident | 103 Ų | 103 | 50.5 Ų | 50.5 | 45% | 0.452 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -77.2 | -44.6 | -178.9 | -170.3 | -93.2 | 0 | 0 | 0 | 112.7 | N418 S442 | N418-F421 HydrophobicContact CB-CB 4.29Å; N418-F421 PolarHBondContact O-N 3.22Å; N418-F421 PolarHBondContact OD1-N 3.42Å; F421-S442 WeakPolarHBondContact O-CB 3.06Å; F421-S442 PolarHBondContact O-OG 2.64Å |
| 422 | F | 80.3 | Confident | 85.9 | Confident | 17 Ų | 17 | 49.6 Ų | 49.6 | 8% | 0.075 | 25% | 0.25 | C | C | . | . | H | α-helix | trans | -99 | -7.8 | -174.2 | -67 | -72.6 | 0 | 0 | 0 | 114.7 | I414 P415 N418 N424 Y425 Y448 | I414-F422 HydrophobicContact CG2-CE2 3.78Å; I414-F422 HydrophobicContact CG2-CZ 3.6Å; P415-F422 HydrophobicContact CB-CB 4.32Å; P415-F422 HydrophobicContact CB-CD1 4.1Å; P415-F422 HydrophobicContact CB-CD2 4.46Å; P415-F422 HydrophobicContact CB-CG 4.05Å; P415-F422 WeakPolarHBondContact O-CB 3.38Å; N418-F422 HydrophobicContact CB-CD2 4.35Å; N418-F422 WeakPolarHBondContact O-CB 3.22Å; N418-F422 WeakPolarHBondContact O-CD2 3.35Å; N418-F422 PolarHBondContact O-N 3.1Å; F422-N424 PolarHBondContact O-N 3.3Å; F422-Y425 PolarHBondContact O-N 3.2Å; F422-Y448 AromaticContact CE1-CD1 4Å; F422-Y448 HydrophobicContact CE1-CD1 4Å; F422-Y448 AromaticContact CE1-CD2 3.91Å; F422-Y448 HydrophobicContact CE1-CD2 3.91Å; F422-Y448 HydrophobicContact CE1-CE2 4.48Å; F422-Y448 AromaticContact CE1-CG 3.64Å; F422-Y448 HydrophobicContact CE1-CG 3.64Å; F422-Y448 HydrophobicContact CZ-CD2 4.16Å; F422-Y448 HydrophobicContact CZ-CE2 4.44Å; F422-Y448 HydrophobicContact CZ-CG 4.34Å |
| 423 | K | 81.7 | Confident | 85.7 | Confident | 117 Ų | 117 | 49.8 Ų | 49.8 | 51% | 0.509 | 25% | 0.251 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 48.3 | -124.6 | -172.5 | -63.5 | -178.4 | 178.6 | 174.8 | 0 | 111 | K419 T440 | K419-K423 WeakPolarHBondContact O-CA 3.48Å; K419-K423 PolarHBondContact O-N 3.39Å; K423-T440 PolarHBondContact NZ-O 2.95Å |
| 424 | N | 83.3 | Confident | 85.2 | Confident | 38 Ų | 38 | 47.3 Ų | 47.3 | 20% | 0.203 | 24% | 0.24 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -108.2 | 58.2 | 175.8 | -169.5 | 20.6 | 0 | 0 | 0 | 110.9 | M349 Q355 F422 Y426 G427 | M349-N424 PolarHBondContact O-ND2 2.96Å; Q355-N424 PolarHBondContact NE2-OD1 3.1Å; F422-N424 PolarHBondContact O-N 3.3Å; N424-Y426 VanDerWaalsContact C-N 3.29Å; N424-Y426 PolarHBondContact O-N 3.18Å; N424-Y426 VanDerWaalsContact O-N 3.1Å; N424-G427 WeakPolarHBondContact ND2-CA 3.21Å; N424-G427 PolarHBondContact ND2-O 3.34Å; N424-G427 VanDerWaalsContact ND2-O 3.15Å; N424-G427 CarbonylContact O-C 3.1Å; N424-G427 PolarHBondContact O-N 2.94Å |
| 425 | Y | 87 | Confident | 84.4 | Confident | 5 Ų | 5 | 44.3 Ų | 44.3 | 2% | 0.02 | 23% | 0.225 | C | C | . | . | S | Bend | trans | -44.8 | -44.9 | -170.5 | -177.5 | -113.5 | 0 | 0 | 0 | 115.2 | I362 P415 F422 T428 P434 A445 Y448 S449 | I362-Y425 HydrophobicContact CD1-CE1 4.16Å; P415-Y425 HydrophobicContact CB-CD1 3.46Å; P415-Y425 VanDerWaalsContact CB-CD1 3.46Å; P415-Y425 HydrophobicContact CB-CE1 4.21Å; P415-Y425 HydrophobicContact CB-CG 3.88Å; P415-Y425 HydrophobicContact CG-CD1 3.62Å; P415-Y425 HydrophobicContact CG-CE1 3.84Å; P415-Y425 HydrophobicContact CG-CG 4.37Å; F422-Y425 PolarHBondContact O-N 3.2Å; Y425-T428 WeakPolarHBondContact O-CG2 3.14Å; Y425-P434 HydrophobicContact CD1-CB 4.33Å; Y425-P434 HydrophobicContact CD1-CG 4.05Å; Y425-P434 HydrophobicContact CD2-CB 4.34Å; Y425-P434 HydrophobicContact CE1-CB 3.95Å; Y425-P434 HydrophobicContact CE1-CG 3.45Å; Y425-P434 VanDerWaalsContact CE1-CG 3.45Å; Y425-P434 HydrophobicContact CE2-CB 3.95Å; Y425-P434 HydrophobicContact CE2-CG 4.31Å; Y425-P434 WeakPolarHBondContact O-CB 3.48Å; Y425-A445 HydrophobicContact CD2-CB 3.9Å; Y425-A445 HydrophobicContact CE2-CB 4.39Å; Y425-Y448 HydrophobicContact CE1-CD1 4.15Å; Y425-Y448 HydrophobicContact CE1-CE1 4.37Å; Y425-Y448 HydrophobicContact CE2-CD1 4.33Å; Y425-Y448 AromaticContact CZ-CD1 3.82Å; Y425-S449 WeakPolarHBondContact OH-CA 3.28Å; Y425-S449 WeakPolarHBondContact OH-CB 3.46Å |
| 426 | Y | 89.3 | Confident | 83 | Confident | 2 Ų | 2 | 46.5 Ų | 46.5 | 1% | 0.008 | 24% | 0.235 | C | C | . | . | S | Bend | trans | -80.3 | -36.6 | 178.7 | -66.8 | -73.6 | 0 | 0 | 0 | 113.2 | G358 S359 I362 A412 P415 L416 N424 T428 C432 P434 | G358-Y426 VanDerWaalsContact C-CE1 3.4Å; G358-Y426 WeakPolarHBondContact O-CE1 3.32Å; S359-Y426 VanDerWaalsContact OG-CE2 3.29Å; S359-Y426 WeakPolarHBondContact OG-CE2 3.36Å; I362-Y426 HydrophobicContact CD1-CE1 3.59Å; I362-Y426 HydrophobicContact CG1-CE1 4Å; A412-Y426 PolarHBondContact O-OH 3.03Å; P415-Y426 HydrophobicContact CB-CE2 3.86Å; P415-Y426 HydrophobicContact CG-CE2 4.19Å; L416-Y426 HydrophobicContact CD2-CD2 3.7Å; L416-Y426 HydrophobicContact CD2-CE2 3.79Å; L416-Y426 HydrophobicContact CG-CE2 4.33Å; N424-Y426 VanDerWaalsContact C-N 3.29Å; N424-Y426 PolarHBondContact O-N 3.18Å; N424-Y426 VanDerWaalsContact O-N 3.1Å; Y426-T428 PolarHBondContact O-N 3.1Å; Y426-T428 VanDerWaalsContact O-N 3.12Å; Y426-C432 CarbonylContact O-C 3.48Å; Y426-C432 VanDerWaalsContact O-C 3.23Å; Y426-C432 WeakPolarHBondContact O-CA 3.07Å; Y426-P434 HydrophobicContact CD1-CG 4.26Å; Y426-P434 HydrophobicContact CE1-CG 4.31Å |
| 427 | G | 85.5 | Confident | 81.2 | Confident | 9 Ų | 9 | 44.7 Ų | 44.7 | 9% | 0.093 | 23% | 0.226 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -86.9 | 40.9 | -175.5 | 0 | 0 | 0 | 0 | 0 | 114 | M349 N424 | M349-G427 VanDerWaalsContact O-CA 3.32Å; M349-G427 WeakPolarHBondContact O-CA 3.41Å; N424-G427 WeakPolarHBondContact ND2-CA 3.21Å; N424-G427 PolarHBondContact ND2-O 3.34Å; N424-G427 VanDerWaalsContact ND2-O 3.15Å; N424-G427 CarbonylContact O-C 3.1Å; N424-G427 PolarHBondContact O-N 2.94Å |
| 428 | T | 79.5 | Confident | 79.7 | Confident | 49 Ų | 49 | 43.8 Ų | 43.8 | 30% | 0.301 | 21% | 0.21 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -86.9 | -19.7 | 174.9 | 58.2 | 0 | 0 | 0 | 0 | 112.2 | Y425 Y426 E441 | Y425-T428 WeakPolarHBondContact O-CG2 3.14Å; Y426-T428 PolarHBondContact O-N 3.1Å; Y426-T428 VanDerWaalsContact O-N 3.12Å; T428-E441 VanDerWaalsContact CG2-OE1 3.31Å; T428-E441 WeakPolarHBondContact CG2-OE1 3.39Å |
| 429 | N | 83.1 | Confident | 78.1 | Confident | 18 Ų | 18 | 46.7 Ų | 46.7 | 10% | 0.096 | 23% | 0.226 | C | C | . | . | S | Bend | trans | -145.2 | 166.3 | 178 | 60.3 | 52.8 | 0 | 0 | 0 | 112.3 | I265 V431 C432 F433 | I265-N429 HydrophobicContact CD1-CB 4.19Å; N429-V431 PolarHBondContact O-N 3.01Å; N429-V431 VanDerWaalsContact O-N 3.17Å; N429-V431 WeakPolarHBondContact OD1-CG2 3.46Å; N429-V431 PolarHBondContact OD1-N 2.72Å; N429-C432 PolarHBondContact O-N 3.21Å; N429-C432 VanDerWaalsContact O-N 3.14Å; N429-C432 PolarHBondContact OD1-N 3.11Å; N429-F433 PolarHBondContact ND2-O 3.21Å; N429-F433 PolarHBondContact OD1-N 2.63Å |
| 430 | G | 84.3 | Confident | 76.6 | Confident | 0 Ų | 0 | 41.3 Ų | 41.3 | 0% | 0 | 21% | 0.205 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -64.3 | -18.5 | -176 | 0 | 0 | 0 | 0 | 0 | 116 | Y341 W348 | Y341-G430 WeakPolarHBondContact OH-CA 3.49Å; W348-G430 PolarHBondContact NE1-O 2.95Å |
| 431 | V | 89.6 | Confident | 75.6 | Confident | 0 Ų | 0 | 34.8 Ų | 34.8 | 0% | 0 | 18% | 0.175 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -98.5 | 4.1 | 178.6 | -64.9 | 0 | 0 | 0 | 0 | 113.4 | I265 L271 L272 Y326 I330 N429 F433 V535 I536 | I265-V431 HydrophobicContact CD1-CG2 3.95Å; I265-V431 HydrophobicContact CG2-CG1 3.61Å; I265-V431 HydrophobicContact CG2-CG2 4.2Å; L271-V431 HydrophobicContact CD2-CG1 4.18Å; L272-V431 HydrophobicContact CD2-CG1 3.95Å; Y326-V431 WeakPolarHBondContact CE2-O 3.4Å; Y326-V431 PolarHBondContact OH-O 3.12Å; I330-V431 HydrophobicContact CG2-CG1 4.37Å; N429-V431 PolarHBondContact O-N 3.01Å; N429-V431 VanDerWaalsContact O-N 3.17Å; N429-V431 WeakPolarHBondContact OD1-CG2 3.46Å; N429-V431 PolarHBondContact OD1-N 2.72Å; V431-F433 VanDerWaalsContact C-N 3.3Å; V431-F433 HydrophobicContact CG2-CB 4.47Å; V431-F433 PolarHBondContact O-N 3.3Å; V431-V535 HydrophobicContact CG2-CG1 4.18Å; V431-I536 HydrophobicContact CG1-CD1 4.07Å |
| 432 | C | 91.1 | Very high | 74.8 | Confident | 0 Ų | 0 | 30.8 Ų | 30.8 | 0% | 0 | 16% | 0.159 | C | C | . | . | trans | 61.4 | 28.5 | 173.3 | -48.7 | 0 | 0 | 0 | 0 | 115 | C354 G358 Y426 N429 | C354-C432 WeakPolarHBondContact CA-SG 3.41Å; C354-C432 HydrophobicContact CB-CB 4.2Å; C354-C432 WeakPolarHBondContact CB-SG 3.39Å; C354-C432 VanDerWaalsContact O-CB 3.27Å; C354-C432 WeakPolarHBondContact O-CB 3.28Å; C354-C432 WeakPolarHBondContact SG-CB 3.4Å; C354-C432 CovalentContact SG-SG 2.03Å; C354-C432 PolarHBondContact SG-SG 3.05Å; G358-C432 WeakPolarHBondContact CA-O 3.23Å; Y426-C432 CarbonylContact O-C 3.48Å; Y426-C432 VanDerWaalsContact O-C 3.23Å; Y426-C432 WeakPolarHBondContact O-CA 3.07Å; N429-C432 PolarHBondContact O-N 3.21Å; N429-C432 VanDerWaalsContact O-N 3.14Å; N429-C432 PolarHBondContact OD1-N 3.11Å | ||
| 433 | F | 89.3 | Confident | 74.6 | Confident | 3 Ų | 3 | 36 Ų | 36 | 1% | 0.013 | 19% | 0.187 | C | C | . | . | trans | -125.5 | 118.3 | -172.8 | -166.1 | -83.4 | 0 | 0 | 0 | 113.1 | A361 I362 N429 V431 L435 F453 V535 L539 | A361-F433 HydrophobicContact CB-CD2 3.72Å; A361-F433 HydrophobicContact CB-CE2 3.9Å; I362-F433 HydrophobicContact CG1-CE2 4.41Å; N429-F433 PolarHBondContact ND2-O 3.21Å; N429-F433 PolarHBondContact OD1-N 2.63Å; V431-F433 VanDerWaalsContact C-N 3.3Å; V431-F433 HydrophobicContact CG2-CB 4.47Å; V431-F433 PolarHBondContact O-N 3.3Å; F433-L435 VanDerWaalsContact C-N 3.33Å; F433-L435 HydrophobicContact CD1-CB 3.88Å; F433-L435 HydrophobicContact CE1-CB 4.03Å; F433-L435 PolarHBondContact O-N 3.37Å; F433-F453 HydrophobicContact CE1-CE1 4.15Å; F433-F453 AromaticContact CE1-CZ 3.64Å; F433-F453 HydrophobicContact CE1-CZ 3.64Å; F433-F453 HydrophobicContact CZ-CE1 4.01Å; F433-F453 AromaticContact CZ-CZ 3.67Å; F433-F453 HydrophobicContact CZ-CZ 3.67Å; F433-V535 HydrophobicContact CB-CG1 3.78Å; F433-V535 HydrophobicContact CB-CG2 4.22Å; F433-V535 HydrophobicContact CD1-CG1 4.29Å; F433-V535 HydrophobicContact CD1-CG2 3.59Å; F433-V535 HydrophobicContact CD2-CG1 4.43Å; F433-V535 HydrophobicContact CE1-CG2 4.24Å; F433-V535 HydrophobicContact CG-CG1 3.91Å; F433-V535 HydrophobicContact CG-CG2 4.05Å; F433-L539 HydrophobicContact CD2-CD2 4.43Å; F433-L539 HydrophobicContact CE1-CD2 4.34Å; F433-L539 HydrophobicContact CE2-CD2 3.66Å; F433-L539 HydrophobicContact CZ-CD2 3.61Å | ||
| 434 | P | 84.4 | Confident | 74.5 | Confident | 3 Ų | 3 | 30.8 Ų | 30.8 | 2% | 0.019 | 17% | 0.166 | C | C | . | . | trans | -87 | 56.8 | -167.6 | 35.2 | -36.9 | 0 | 0 | 0 | 114.2 | I362 Y425 Y426 S449 F453 | I362-P434 HydrophobicContact CD1-CG 3.77Å; Y425-P434 HydrophobicContact CD1-CB 4.33Å; Y425-P434 HydrophobicContact CD1-CG 4.05Å; Y425-P434 HydrophobicContact CD2-CB 4.34Å; Y425-P434 HydrophobicContact CE1-CB 3.95Å; Y425-P434 HydrophobicContact CE1-CG 3.45Å; Y425-P434 VanDerWaalsContact CE1-CG 3.45Å; Y425-P434 HydrophobicContact CE2-CB 3.95Å; Y425-P434 HydrophobicContact CE2-CG 4.31Å; Y425-P434 WeakPolarHBondContact O-CB 3.48Å; Y426-P434 HydrophobicContact CD1-CG 4.26Å; Y426-P434 HydrophobicContact CE1-CG 4.31Å; P434-S449 PolarHBondContact O-OG 3.1Å; P434-S449 VanDerWaalsContact O-OG 3.08Å; P434-F453 WeakPolarHBondContact O-CE2 3.36Å | ||
| 435 | L | 75.2 | Confident | 74.5 | Confident | 3 Ų | 3 | 29 Ų | 29 | 2% | 0.016 | 16% | 0.157 | C | C | . | . | S | Bend | trans | -76.7 | -49.7 | 178.1 | -179.4 | 65.8 | 0 | 0 | 0 | 112.3 | F433 I513 V516 V534 V535 | F433-L435 VanDerWaalsContact C-N 3.33Å; F433-L435 HydrophobicContact CD1-CB 3.88Å; F433-L435 HydrophobicContact CE1-CB 4.03Å; F433-L435 PolarHBondContact O-N 3.37Å; L435-I513 HydrophobicContact CD1-CG2 3.94Å; L435-V516 HydrophobicContact CD2-CG1 4.24Å; L435-V516 HydrophobicContact CG-CG1 4.25Å; L435-V534 HydrophobicContact CD2-CB 3.85Å; L435-V534 HydrophobicContact CD2-CG1 3.59Å; L435-V535 HydrophobicContact CB-CG2 4.31Å; L435-V535 HydrophobicContact CD2-CG2 4.03Å |
| 436 | H | 62.6 | Low | 74.3 | Confident | 51 Ų | 51 | 32.5 Ų | 32.5 | 24% | 0.236 | 17% | 0.173 | C | C | . | . | S | Bend | trans | -111.6 | 127.8 | -179 | -173.6 | 69.5 | 0 | 0 | 0 | 108.8 | T531 | H436-T531 HydrophobicContact CB-CG2 3.88Š|
| 437 | S | 52.2 | Low | 74.1 | Confident | 12 Ų | 12 | 37.5 Ų | 37.5 | 8% | 0.084 | 20% | 0.199 | C | C | . | . | trans | -105.1 | 113.5 | 179 | 167.5 | 0 | 0 | 0 | 0 | 106.7 | E441 | S437-E441 WeakPolarHBondContact CA-OE1 3Å; S437-E441 VanDerWaalsContact OG-CD 3.26Å; S437-E441 PolarHBondContact OG-OE2 3.18Å | ||
| 438 | E | 55.3 | Low | 74.2 | Confident | 87 Ų | 87 | 38.9 Ų | 38.9 | 41% | 0.407 | 20% | 0.202 | S | C | . | . | trans | -65.4 | 155.7 | 170.7 | -67.9 | -175.4 | 162.4 | 0 | 0 | 109.9 | K245 T440 E441 | K245-E438 IonicContact NZ-OE2 2.96Å; E438-T440 PolarHBondContact O-N 3.11Å; E438-E441 PolarHBondContact O-N 3.07Å | ||
| 439 | D | 48.5 | Very low | 74.6 | Confident | 135 Ų | 135 | 36.6 Ų | 36.6 | 72% | 0.722 | 19% | 0.188 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -60.9 | 10 | -175.4 | -58.9 | -65.2 | 0 | 0 | 0 | 116.3 | ||
| 440 | T | 47.1 | Very low | 74.9 | Confident | 36 Ų | 36 | 37.4 Ų | 37.4 | 22% | 0.221 | 19% | 0.193 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -114.9 | -0.1 | -176.3 | 63.7 | 0 | 0 | 0 | 0 | 114.5 | E223 K244 K423 E438 | E223-T440 WeakPolarHBondContact OE1-CG2 3.35Å; K244-T440 VanDerWaalsContact NZ-CG2 3.31Å; K423-T440 PolarHBondContact NZ-O 2.95Å; E438-T440 PolarHBondContact O-N 3.11Å |
| 441 | E | 56.1 | Low | 75.1 | Confident | 43 Ų | 43 | 39.8 Ų | 39.8 | 20% | 0.201 | 21% | 0.213 | C | C | . | . | S | Bend | trans | -71.3 | 162.5 | 176.2 | -74.2 | -176.7 | -147 | 0 | 0 | 112.8 | T428 S437 E438 A445 | T428-E441 VanDerWaalsContact CG2-OE1 3.31Å; T428-E441 WeakPolarHBondContact CG2-OE1 3.39Å; S437-E441 WeakPolarHBondContact CA-OE1 3Å; S437-E441 VanDerWaalsContact OG-CD 3.26Å; S437-E441 PolarHBondContact OG-OE2 3.18Å; E438-E441 PolarHBondContact O-N 3.07Å; E441-A445 HydrophobicContact CB-CB 4.45Å |
| 442 | S | 65.2 | Low | 75.1 | Confident | 18 Ų | 18 | 40 Ų | 40 | 13% | 0.126 | 21% | 0.214 | C | C | . | . | trans | -69.4 | 143.5 | 171.9 | 46.6 | 0 | 0 | 0 | 0 | 110.2 | F421 G444 A445 Q446 | F421-S442 WeakPolarHBondContact O-CB 3.06Å; F421-S442 PolarHBondContact O-OG 2.64Å; S442-G444 PolarHBondContact O-N 3.04Å; S442-A445 WeakPolarHBondContact O-CB 3.33Å; S442-A445 PolarHBondContact O-N 3.02Å; S442-Q446 PolarHBondContact O-N 2.78Å | ||
| 443 | I | 75.8 | Confident | 74.8 | Confident | 128 Ų | 128 | 40 Ų | 40 | 66% | 0.656 | 21% | 0.214 | S | C | * | . | H | α-helix | trans | -49.4 | -36.6 | 174.9 | -64.9 | 167.2 | 0 | 0 | 0 | 111 | I447 | I443-I447 HydrophobicContact CG2-CD1 3.71Å; I443-I447 HydrophobicContact CG2-CG1 4.41Å; I443-I447 VanDerWaalsContact O-CG1 3.26Å; I443-I447 WeakPolarHBondContact O-CG1 3.41Å; I443-I447 PolarHBondContact O-N 3.26Å |
| 444 | G | 80.7 | Confident | 74.6 | Confident | 6 Ų | 6 | 42.1 Ų | 42.1 | 6% | 0.062 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -62.1 | -44.9 | 175.4 | 0 | 0 | 0 | 0 | 0 | 115.1 | S442 Y448 | S442-G444 PolarHBondContact O-N 3.04Å; G444-Y448 WeakPolarHBondContact O-CB 3.06Å; G444-Y448 PolarHBondContact O-N 3.13Å |
| 445 | A | 82.2 | Confident | 74.8 | Confident | 1 Ų | 1 | 43.8 Ų | 43.8 | 1% | 0.008 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -64.1 | -42.7 | 177.2 | 0 | 0 | 0 | 0 | 0 | 111.8 | Y425 E441 S442 Y448 S449 | Y425-A445 HydrophobicContact CD2-CB 3.9Å; Y425-A445 HydrophobicContact CE2-CB 4.39Å; E441-A445 HydrophobicContact CB-CB 4.45Å; S442-A445 WeakPolarHBondContact O-CB 3.33Å; S442-A445 PolarHBondContact O-N 3.02Å; A445-Y448 PolarHBondContact O-N 2.83Å; A445-S449 PolarHBondContact O-N 2.75Å |
| 446 | Q | 82.8 | Confident | 75.4 | Confident | 78 Ų | 78 | 46.7 Ų | 46.7 | 36% | 0.364 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -62.5 | -49.8 | 178.1 | -167 | -175.1 | 20.1 | 0 | 0 | 111.5 | S442 Y448 S449 V450 | S442-Q446 PolarHBondContact O-N 2.78Å; Q446-Y448 VanDerWaalsContact C-N 3.29Å; Q446-Y448 PolarHBondContact O-N 3.03Å; Q446-S449 PolarHBondContact O-N 3.01Å; Q446-V450 VanDerWaalsContact O-CG2 3.28Å; Q446-V450 WeakPolarHBondContact O-CG2 3.25Å; Q446-V450 PolarHBondContact O-N 2.77Å |
| 447 | I | 85.3 | Confident | 76.7 | Confident | 108 Ų | 108 | 44.4 Ų | 44.4 | 55% | 0.554 | 25% | 0.247 | S | C | * | . | H | α-helix | trans | -57.2 | -43.6 | 176.5 | -70.6 | 168.3 | 0 | 0 | 0 | 110.8 | I443 V450 A451 | I443-I447 HydrophobicContact CG2-CD1 3.71Å; I443-I447 HydrophobicContact CG2-CG1 4.41Å; I443-I447 VanDerWaalsContact O-CG1 3.26Å; I443-I447 WeakPolarHBondContact O-CG1 3.41Å; I443-I447 PolarHBondContact O-N 3.26Å; I447-V450 PolarHBondContact O-N 2.75Å; I447-A451 WeakPolarHBondContact O-CB 3.26Å; I447-A451 PolarHBondContact O-N 3.05Å |
| 448 | Y | 88.8 | Confident | 78.4 | Confident | 38 Ų | 38 | 46.5 Ų | 46.5 | 15% | 0.149 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -65.2 | -46.5 | -178.4 | -167.1 | -104.2 | 0 | 0 | 0 | 112.8 | V411 I414 P415 F422 Y425 G444 A445 Q446 V450 A451 I452 | V411-Y448 WeakPolarHBondContact CA-OH 3.48Å; V411-Y448 PolarHBondContact O-OH 3.04Å; I414-Y448 HydrophobicContact CG2-CE2 3.91Å; P415-Y448 HydrophobicContact CG-CD1 3.99Å; P415-Y448 HydrophobicContact CG-CE1 3.39Å; F422-Y448 AromaticContact CE1-CD1 4Å; F422-Y448 HydrophobicContact CE1-CD1 4Å; F422-Y448 AromaticContact CE1-CD2 3.91Å; F422-Y448 HydrophobicContact CE1-CD2 3.91Å; F422-Y448 HydrophobicContact CE1-CE2 4.48Å; F422-Y448 AromaticContact CE1-CG 3.64Å; F422-Y448 HydrophobicContact CE1-CG 3.64Å; F422-Y448 HydrophobicContact CZ-CD2 4.16Å; F422-Y448 HydrophobicContact CZ-CE2 4.44Å; F422-Y448 HydrophobicContact CZ-CG 4.34Å; Y425-Y448 HydrophobicContact CE1-CD1 4.15Å; Y425-Y448 HydrophobicContact CE1-CE1 4.37Å; Y425-Y448 HydrophobicContact CE2-CD1 4.33Å; Y425-Y448 AromaticContact CZ-CD1 3.82Å; G444-Y448 WeakPolarHBondContact O-CB 3.06Å; G444-Y448 PolarHBondContact O-N 3.13Å; A445-Y448 PolarHBondContact O-N 2.83Å; Q446-Y448 VanDerWaalsContact C-N 3.29Å; Q446-Y448 PolarHBondContact O-N 3.03Å; Y448-V450 VanDerWaalsContact C-N 3.29Å; Y448-V450 PolarHBondContact O-N 3.23Å; Y448-A451 PolarHBondContact O-N 2.81Å; Y448-I452 HydrophobicContact CD1-CD1 3.77Å; Y448-I452 HydrophobicContact CE1-CD1 3.34Å; Y448-I452 HydrophobicContact CE1-CG1 4.42Å; Y448-I452 PolarHBondContact O-N 3.02Å; Y448-I452 VanDerWaalsContact O-N 3.1Å |
| 449 | S | 87.6 | Confident | 80.1 | Confident | 1 Ų | 1 | 44.6 Ų | 44.6 | 1% | 0.007 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -62.1 | -36 | 175.6 | -178 | 0 | 0 | 0 | 0 | 111.9 | Y425 P434 A445 Q446 F453 K517 | Y425-S449 WeakPolarHBondContact OH-CA 3.28Å; Y425-S449 WeakPolarHBondContact OH-CB 3.46Å; P434-S449 PolarHBondContact O-OG 3.1Å; P434-S449 VanDerWaalsContact O-OG 3.08Å; A445-S449 PolarHBondContact O-N 2.75Å; Q446-S449 PolarHBondContact O-N 3.01Å; S449-F453 VanDerWaalsContact O-CD2 3.32Å; S449-F453 WeakPolarHBondContact O-CD2 3.49Å; S449-F453 PolarHBondContact O-N 3.39Å; S449-K517 PolarHBondContact OG-NZ 3.37Å |
| 450 | V | 88.1 | Confident | 82.1 | Confident | 35 Ų | 35 | 38.5 Ų | 38.5 | 21% | 0.212 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -67.3 | -44.8 | 173.2 | 173.9 | 0 | 0 | 0 | 0 | 111.6 | Q446 I447 Y448 I452 L454 G455 L521 | Q446-V450 VanDerWaalsContact O-CG2 3.28Å; Q446-V450 WeakPolarHBondContact O-CG2 3.25Å; Q446-V450 PolarHBondContact O-N 2.77Å; I447-V450 PolarHBondContact O-N 2.75Å; Y448-V450 VanDerWaalsContact C-N 3.29Å; Y448-V450 PolarHBondContact O-N 3.23Å; V450-I452 VanDerWaalsContact C-N 3.3Å; V450-I452 PolarHBondContact O-N 2.63Å; V450-L454 HydrophobicContact CG1-CB 4.29Å; V450-L454 HydrophobicContact CG1-CD2 4.35Å; V450-L454 WeakPolarHBondContact O-CA 3.39Å; V450-L454 WeakPolarHBondContact O-CB 3.06Å; V450-L454 PolarHBondContact O-N 2.81Å; V450-G455 PolarHBondContact O-N 3.32Å; V450-G455 VanDerWaalsContact O-N 3.14Å; V450-L521 HydrophobicContact CG2-CD1 4.47Å; V450-L521 HydrophobicContact CG2-CD2 3.84Å; V450-L521 HydrophobicContact CG2-CG 4.49Å |
| 451 | A | 90.2 | Very high | 84 | Confident | 50 Ų | 50 | 38.5 Ų | 38.5 | 41% | 0.413 | 22% | 0.221 | S | C | . | . | I | π-helix | trans | -60.6 | -37.5 | -179.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | I447 Y448 G455 I456 | I447-A451 WeakPolarHBondContact O-CB 3.26Å; I447-A451 PolarHBondContact O-N 3.05Å; Y448-A451 PolarHBondContact O-N 2.81Å; A451-G455 CarbonylContact O-C 3.5Å; A451-G455 WeakPolarHBondContact O-CA 3.48Å; A451-G455 PolarHBondContact O-N 3.04Å; A451-I456 PolarHBondContact O-N 3.11Å |
| 452 | I | 89.4 | Confident | 85.6 | Confident | 3 Ų | 3 | 41.2 Ų | 41.2 | 2% | 0.015 | 24% | 0.236 | C | C | . | . | I | π-helix | trans | -72.2 | -65.8 | 175 | -65.2 | 171.8 | 0 | 0 | 0 | 110.5 | E366 V411 Y448 V450 L454 I456 N457 | E366-I452 VanDerWaalsContact CD-CG2 3.44Å; E366-I452 HydrophobicContact CG-CG2 4.22Å; E366-I452 WeakPolarHBondContact OE2-CG2 3.42Å; V411-I452 HydrophobicContact CG1-CD1 3.57Å; V411-I452 HydrophobicContact CG1-CG1 3.94Å; Y448-I452 HydrophobicContact CD1-CD1 3.77Å; Y448-I452 HydrophobicContact CE1-CD1 3.34Å; Y448-I452 HydrophobicContact CE1-CG1 4.42Å; Y448-I452 PolarHBondContact O-N 3.02Å; Y448-I452 VanDerWaalsContact O-N 3.1Å; V450-I452 VanDerWaalsContact C-N 3.3Å; V450-I452 PolarHBondContact O-N 2.63Å; I452-L454 PolarHBondContact O-N 2.97Å; I452-I456 PolarHBondContact O-N 2.91Å; I452-N457 PolarHBondContact O-N 3.47Å; I452-N457 VanDerWaalsContact O-N 3.12Å |
| 453 | F | 84.9 | Confident | 86.8 | Confident | 1 Ų | 1 | 43.8 Ų | 43.8 | 0% | 0.004 | 25% | 0.248 | C | C | . | . | I | π-helix | trans | -73.8 | -28.2 | -167.6 | -69.3 | -65.8 | 0 | 0 | 0 | 114.3 | F433 P434 S449 W510 I513 F514 K517 | F433-F453 HydrophobicContact CE1-CE1 4.15Å; F433-F453 AromaticContact CE1-CZ 3.64Å; F433-F453 HydrophobicContact CE1-CZ 3.64Å; F433-F453 HydrophobicContact CZ-CE1 4.01Å; F433-F453 AromaticContact CZ-CZ 3.67Å; F433-F453 HydrophobicContact CZ-CZ 3.67Å; P434-F453 WeakPolarHBondContact O-CE2 3.36Å; S449-F453 VanDerWaalsContact O-CD2 3.32Å; S449-F453 WeakPolarHBondContact O-CD2 3.49Å; S449-F453 PolarHBondContact O-N 3.39Å; F453-W510 HydrophobicContact CD1-CZ3 4.4Å; F453-I513 HydrophobicContact CD1-CG2 4Å; F453-F514 WeakPolarHBondContact O-CD1 3.39Å; F453-F514 VanDerWaalsContact O-CE1 3.24Å; F453-F514 WeakPolarHBondContact O-CE1 3.11Å; F453-K517 HydrophobicContact CB-CG 4.37Å |
| 454 | L | 84.5 | Confident | 87.3 | Confident | 48 Ų | 48 | 37.8 Ų | 37.8 | 25% | 0.251 | 22% | 0.217 | S | C | . | . | I | π-helix | trans | -111.1 | -22.2 | 179.6 | -167.8 | 67.2 | 0 | 0 | 0 | 113.2 | V450 I452 L458 L521 | V450-L454 HydrophobicContact CG1-CB 4.29Å; V450-L454 HydrophobicContact CG1-CD2 4.35Å; V450-L454 WeakPolarHBondContact O-CA 3.39Å; V450-L454 WeakPolarHBondContact O-CB 3.06Å; V450-L454 PolarHBondContact O-N 2.81Å; I452-L454 PolarHBondContact O-N 2.97Å; L454-L458 HydrophobicContact CD1-CD2 4.04Å; L454-L458 WeakPolarHBondContact O-CB 3.3Å; L454-L521 HydrophobicContact CD2-CD1 3.86Å |
| 455 | G | 87.7 | Confident | 87.5 | Confident | 37 Ų | 37 | 40.8 Ų | 40.8 | 38% | 0.381 | 23% | 0.234 | S | C | . | . | I | π-helix | trans | -84.9 | -77.7 | 174.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | V450 A451 A459 | V450-G455 PolarHBondContact O-N 3.32Å; V450-G455 VanDerWaalsContact O-N 3.14Å; A451-G455 CarbonylContact O-C 3.5Å; A451-G455 WeakPolarHBondContact O-CA 3.48Å; A451-G455 PolarHBondContact O-N 3.04Å; G455-A459 VanDerWaalsContact O-CB 3.32Å; G455-A459 WeakPolarHBondContact O-CB 3.31Å; G455-A459 PolarHBondContact O-N 2.94Å |
| 456 | I | 89.1 | Confident | 87.8 | Confident | 65 Ų | 65 | 46.9 Ų | 46.9 | 33% | 0.333 | 26% | 0.26 | S | S | . | . | I | π-helix | trans | -60.8 | -53.2 | -173.4 | -61.6 | 174.1 | 0 | 0 | 0 | 111 | L370 A451 I452 L458 A459 A460 | L370-I456 HydrophobicContact CD2-CG2 4.5Å; A451-I456 PolarHBondContact O-N 3.11Å; I452-I456 PolarHBondContact O-N 2.91Å; I456-L458 PolarHBondContact O-N 3.14Å; I456-A459 PolarHBondContact O-N 2.92Å; I456-A460 WeakPolarHBondContact O-CB 3.44Å; I456-A460 PolarHBondContact O-N 3.08Å |
| 457 | N | 88.6 | Confident | 87.9 | Confident | 2 Ų | 2 | 43.2 Ų | 43.2 | 1% | 0.011 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -69.4 | -34 | -173.5 | -72.7 | -32.8 | 0 | 0 | 0 | 113.2 | E366 V369 I452 F461 W510 F514 | E366-N457 PolarHBondContact OE1-ND2 3.12Å; E366-N457 PolarHBondContact OE2-ND2 2.89Å; E366-N457 PolarHBondContact OE2-OD1 3.34Å; V369-N457 WeakPolarHBondContact CG1-OD1 3.49Å; I452-N457 PolarHBondContact O-N 3.47Å; I452-N457 VanDerWaalsContact O-N 3.12Å; N457-F461 VanDerWaalsContact O-CB 3.28Å; N457-F461 WeakPolarHBondContact O-CB 3.37Å; N457-F461 PolarHBondContact O-N 2.96Å; N457-W510 HydrophobicContact CB-CE3 4.26Å; N457-W510 HydrophobicContact CB-CH2 4.48Å; N457-W510 HydrophobicContact CB-CZ3 4.01Å; N457-F514 HydrophobicContact CB-CE1 4.09Å; N457-F514 HydrophobicContact CB-CZ 4.49Å |
| 458 | L | 88.7 | Confident | 87.7 | Confident | 56 Ų | 56 | 39.2 Ų | 39.2 | 29% | 0.293 | 22% | 0.222 | S | C | . | . | H | α-helix | trans | -69.9 | -41.5 | 173.3 | -174.6 | 63.6 | 0 | 0 | 0 | 111.9 | L454 I456 F461 I462 F514 | L454-L458 HydrophobicContact CD1-CD2 4.04Å; L454-L458 WeakPolarHBondContact O-CB 3.3Å; I456-L458 PolarHBondContact O-N 3.14Å; L458-F461 PolarHBondContact O-N 2.92Å; L458-I462 HydrophobicContact CD1-CD1 4.39Å; L458-I462 HydrophobicContact CG-CD1 3.99Å; L458-I462 VanDerWaalsContact O-CG1 3.3Å; L458-I462 WeakPolarHBondContact O-CG1 3.35Å; L458-I462 PolarHBondContact O-N 3.24Å; L458-F514 HydrophobicContact CB-CE1 4.22Å; L458-F514 HydrophobicContact CB-CZ 4.34Å; L458-F514 HydrophobicContact CD1-CD2 4.23Å; L458-F514 HydrophobicContact CD1-CE2 4.04Å; L458-F514 HydrophobicContact CD1-CZ 4.22Å |
| 459 | A | 91 | Very high | 87.3 | Confident | 48 Ų | 48 | 39.5 Ų | 39.5 | 40% | 0.397 | 24% | 0.236 | S | C | . | . | H | α-helix | trans | -63.4 | -44.7 | 176.7 | 0 | 0 | 0 | 0 | 0 | 111.4 | G455 I456 F461 I462 I463 | G455-A459 VanDerWaalsContact O-CB 3.32Å; G455-A459 WeakPolarHBondContact O-CB 3.31Å; G455-A459 PolarHBondContact O-N 2.94Å; I456-A459 PolarHBondContact O-N 2.92Å; A459-F461 VanDerWaalsContact C-N 3.34Å; A459-F461 PolarHBondContact O-N 2.89Å; A459-I462 PolarHBondContact O-N 3.05Å; A459-I463 WeakPolarHBondContact O-CD1 3.26Å; A459-I463 VanDerWaalsContact O-CG1 3.25Å; A459-I463 WeakPolarHBondContact O-CG1 3.39Å; A459-I463 PolarHBondContact O-N 3.02Å |
| 460 | A | 90 | Very high | 87.1 | Confident | 6 Ų | 6 | 40.9 Ų | 40.9 | 5% | 0.05 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -56.6 | -46.7 | 172.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | V369 T373 I456 I463 I464 | V369-A460 HydrophobicContact CG1-CB 3.42Å; V369-A460 VanDerWaalsContact CG1-CB 3.42Å; T373-A460 WeakPolarHBondContact OG1-CB 3.13Å; I456-A460 WeakPolarHBondContact O-CB 3.44Å; I456-A460 PolarHBondContact O-N 3.08Å; A460-I463 PolarHBondContact O-N 3.29Å; A460-I464 VanDerWaalsContact O-CG1 3.26Å; A460-I464 WeakPolarHBondContact O-CG1 3.35Å; A460-I464 PolarHBondContact O-N 2.89Å |
| 461 | F | 88 | Confident | 86.7 | Confident | 37 Ų | 37 | 39.3 Ų | 39.3 | 16% | 0.162 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -60.8 | -46.1 | 177.1 | -179 | -111.2 | 0 | 0 | 0 | 112.9 | N457 L458 A459 I463 I464 V465 A507 F514 | N457-F461 VanDerWaalsContact O-CB 3.28Å; N457-F461 WeakPolarHBondContact O-CB 3.37Å; N457-F461 PolarHBondContact O-N 2.96Å; L458-F461 PolarHBondContact O-N 2.92Å; A459-F461 VanDerWaalsContact C-N 3.34Å; A459-F461 PolarHBondContact O-N 2.89Å; F461-I463 VanDerWaalsContact C-N 3.35Å; F461-I463 PolarHBondContact O-N 3.35Å; F461-I464 PolarHBondContact O-N 3.26Å; F461-V465 HydrophobicContact CD1-CG2 4.43Å; F461-V465 HydrophobicContact CD2-CG2 4.24Å; F461-V465 HydrophobicContact CE1-CG2 3.96Å; F461-V465 HydrophobicContact CE2-CG2 3.7Å; F461-V465 HydrophobicContact CZ-CG2 3.56Å; F461-V465 WeakPolarHBondContact O-CG2 3.34Å; F461-V465 PolarHBondContact O-N 2.64Å; F461-A507 HydrophobicContact CE2-CB 3.46Å; F461-A507 VanDerWaalsContact CE2-CB 3.46Å; F461-A507 HydrophobicContact CZ-CB 3.81Å; F461-F514 HydrophobicContact CB-CE2 4.2Å; F461-F514 HydrophobicContact CB-CZ 4.12Å; F461-F514 HydrophobicContact CD1-CE2 4.01Å; F461-F514 HydrophobicContact CG-CE2 4.07Å; F461-F514 HydrophobicContact CG-CZ 4.47Å |
| 462 | I | 89.2 | Confident | 86.1 | Confident | 100 Ų | 100 | 42.3 Ų | 42.3 | 51% | 0.513 | 24% | 0.24 | S | C | . | . | H | α-helix | trans | -60.7 | -43.9 | 176.7 | -69.7 | 165.7 | 0 | 0 | 0 | 110.8 | L458 A459 I464 V465 F466 | L458-I462 HydrophobicContact CD1-CD1 4.39Å; L458-I462 HydrophobicContact CG-CD1 3.99Å; L458-I462 VanDerWaalsContact O-CG1 3.3Å; L458-I462 WeakPolarHBondContact O-CG1 3.35Å; L458-I462 PolarHBondContact O-N 3.24Å; A459-I462 PolarHBondContact O-N 3.05Å; I462-I464 VanDerWaalsContact C-N 3.35Å; I462-I464 PolarHBondContact O-N 2.93Å; I462-V465 PolarHBondContact O-N 3.46Å; I462-F466 VanDerWaalsContact O-CB 3.29Å; I462-F466 WeakPolarHBondContact O-CB 3.07Å; I462-F466 PolarHBondContact O-N 2.85Å |
| 463 | I | 89.8 | Confident | 85.7 | Confident | 71 Ų | 71 | 49.7 Ų | 49.7 | 36% | 0.364 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -61.3 | -43.5 | 177 | -69 | 164.2 | 0 | 0 | 0 | 110.9 | T373 L377 A459 A460 F461 S467 | T373-I463 HydrophobicContact CG2-CB 4.16Å; T373-I463 HydrophobicContact CG2-CG2 3.68Å; L377-I463 HydrophobicContact CD1-CG2 4.12Å; L377-I463 HydrophobicContact CD2-CG2 3.87Å; L377-I463 HydrophobicContact CG-CG2 4.07Å; A459-I463 WeakPolarHBondContact O-CD1 3.26Å; A459-I463 VanDerWaalsContact O-CG1 3.25Å; A459-I463 WeakPolarHBondContact O-CG1 3.39Å; A459-I463 PolarHBondContact O-N 3.02Å; A460-I463 PolarHBondContact O-N 3.29Å; F461-I463 VanDerWaalsContact C-N 3.35Å; F461-I463 PolarHBondContact O-N 3.35Å; I463-S467 WeakPolarHBondContact O-CB 3.34Å; I463-S467 PolarHBondContact O-N 2.94Å; I463-S467 PolarHBondContact O-OG 3.46Å |
| 464 | I | 86.6 | Confident | 85.4 | Confident | 3 Ų | 3 | 50.8 Ų | 50.8 | 2% | 0.015 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -60.2 | -54.9 | 176.8 | -71.8 | 166.5 | 0 | 0 | 0 | 110.1 | L372 T373 T376 A460 F461 I462 F466 S467 Y468 V503 | L372-I464 HydrophobicContact CB-CD1 4.4Å; T373-I464 HydrophobicContact CG2-CG1 4.45Å; T376-I464 HydrophobicContact CG2-CG1 4.05Å; T376-I464 HydrophobicContact CG2-CG2 4.25Å; A460-I464 VanDerWaalsContact O-CG1 3.26Å; A460-I464 WeakPolarHBondContact O-CG1 3.35Å; A460-I464 PolarHBondContact O-N 2.89Å; F461-I464 PolarHBondContact O-N 3.26Å; I462-I464 VanDerWaalsContact C-N 3.35Å; I462-I464 PolarHBondContact O-N 2.93Å; I464-F466 PolarHBondContact O-N 3.34Å; I464-S467 PolarHBondContact O-N 3.02Å; I464-Y468 HydrophobicContact CG2-CD2 3.96Å; I464-Y468 HydrophobicContact CG2-CE2 4.13Å; I464-Y468 VanDerWaalsContact O-CD2 3.25Å; I464-Y468 WeakPolarHBondContact O-CD2 3.25Å; I464-Y468 PolarHBondContact O-N 2.83Å; I464-V503 HydrophobicContact CG2-CG1 3.74Å; I464-V503 HydrophobicContact CG2-CG2 4.1Å |
| 465 | V | 85.3 | Confident | 84.8 | Confident | 69 Ų | 69 | 49.4 Ų | 49.4 | 42% | 0.418 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -59.4 | -46 | -178 | 172.2 | 0 | 0 | 0 | 0 | 111.5 | F461 I462 Y468 G469 | F461-V465 HydrophobicContact CD1-CG2 4.43Å; F461-V465 HydrophobicContact CD2-CG2 4.24Å; F461-V465 HydrophobicContact CE1-CG2 3.96Å; F461-V465 HydrophobicContact CE2-CG2 3.7Å; F461-V465 HydrophobicContact CZ-CG2 3.56Å; F461-V465 WeakPolarHBondContact O-CG2 3.34Å; F461-V465 PolarHBondContact O-N 2.64Å; I462-V465 PolarHBondContact O-N 3.46Å; V465-Y468 PolarHBondContact O-N 2.93Å; V465-G469 PolarHBondContact O-N 3.26Å |
| 466 | F | 88.2 | Confident | 84.3 | Confident | 128 Ų | 128 | 52 Ų | 52 | 56% | 0.561 | 27% | 0.273 | S | S | * | . | H | α-helix | trans | -60.3 | -51 | 176.5 | 176.7 | -96.1 | 0 | 0 | 0 | 111.8 | I462 I464 Y468 G469 S470 | I462-F466 VanDerWaalsContact O-CB 3.29Å; I462-F466 WeakPolarHBondContact O-CB 3.07Å; I462-F466 PolarHBondContact O-N 2.85Å; I464-F466 PolarHBondContact O-N 3.34Å; F466-Y468 PolarHBondContact O-N 3.12Å; F466-G469 PolarHBondContact O-N 2.94Å; F466-S470 PolarHBondContact O-N 3.43Å; F466-S470 PolarHBondContact O-OG 3.11Å |
| 467 | S | 85.4 | Confident | 83.8 | Confident | 2 Ų | 2 | 53.1 Ų | 53.1 | 1% | 0.014 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -56.6 | -38.5 | -179 | -62 | 0 | 0 | 0 | 0 | 112 | Y380 I463 I464 M471 | Y380-S467 WeakPolarHBondContact CD2-O 3.37Å; I463-S467 WeakPolarHBondContact O-CB 3.34Å; I463-S467 PolarHBondContact O-N 2.94Å; I463-S467 PolarHBondContact O-OG 3.46Å; I464-S467 PolarHBondContact O-N 3.02Å; S467-M471 VanDerWaalsContact O-CB 3.25Å; S467-M471 WeakPolarHBondContact O-CB 3.33Å; S467-M471 PolarHBondContact O-N 3.32Å |
| 468 | Y | 79.6 | Confident | 82.9 | Confident | 23 Ų | 23 | 56.2 Ų | 56.2 | 9% | 0.09 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -79.2 | -35.5 | 177.6 | -80.4 | -66.9 | 0 | 0 | 0 | 114.7 | T376 I464 V465 F466 S470 M471 F472 F499 V503 | T376-Y468 HydrophobicContact CG2-CD2 4.24Å; T376-Y468 HydrophobicContact CG2-CE2 3.23Å; I464-Y468 HydrophobicContact CG2-CD2 3.96Å; I464-Y468 HydrophobicContact CG2-CE2 4.13Å; I464-Y468 VanDerWaalsContact O-CD2 3.25Å; I464-Y468 WeakPolarHBondContact O-CD2 3.25Å; I464-Y468 PolarHBondContact O-N 2.83Å; V465-Y468 PolarHBondContact O-N 2.93Å; F466-Y468 PolarHBondContact O-N 3.12Å; Y468-S470 VanDerWaalsContact C-N 3.32Å; Y468-S470 PolarHBondContact O-N 2.92Å; Y468-M471 HydrophobicContact CD1-CE 3.72Å; Y468-M471 HydrophobicContact CD1-SD 3.75Å; Y468-M471 HydrophobicContact CE1-CE 3.49Å; Y468-M471 VanDerWaalsContact CE1-CE 3.49Å; Y468-M471 HydrophobicContact CE1-SD 3.7Å; Y468-M471 PolarHBondContact O-N 3.43Å; Y468-F472 WeakPolarHBondContact O-CB 3.3Å; Y468-F472 PolarHBondContact O-N 3.41Å; Y468-F499 HydrophobicContact CD1-CB 4.39Å; Y468-F499 HydrophobicContact CE1-CB 3.5Å; Y468-F499 VanDerWaalsContact CE1-CB 3.5Å; Y468-F499 HydrophobicContact CE1-CG 4.14Å; Y468-F499 WeakPolarHBondContact OH-CD1 3.3Å; Y468-V503 HydrophobicContact CD1-CG2 4.44Å; Y468-V503 HydrophobicContact CD2-CB 4.3Å; Y468-V503 HydrophobicContact CD2-CG1 4.26Å; Y468-V503 HydrophobicContact CD2-CG2 3.18Å; Y468-V503 HydrophobicContact CE1-CG2 4.35Å; Y468-V503 HydrophobicContact CE2-CB 4.4Å; Y468-V503 HydrophobicContact CE2-CG2 2.98Å; Y468-V503 HydrophobicContact CG-CG2 3.89Å |
| 469 | G | 81.8 | Confident | 82 | Confident | 44 Ų | 44 | 55.1 Ų | 55.1 | 45% | 0.454 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -56.3 | -49.2 | 170.6 | 0 | 0 | 0 | 0 | 0 | 111 | V465 F466 F472 Y473 | V465-G469 PolarHBondContact O-N 3.26Å; F466-G469 PolarHBondContact O-N 2.94Å; G469-F472 PolarHBondContact O-N 2.92Å; G469-Y473 WeakPolarHBondContact O-CB 3.48Å; G469-Y473 PolarHBondContact O-N 3.32Å |
| 470 | S | 82.6 | Confident | 80.9 | Confident | 31 Ų | 31 | 58 Ų | 58 | 22% | 0.217 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -66.3 | -39.2 | 176.5 | -58.6 | 0 | 0 | 0 | 0 | 113.4 | F466 Y468 S474 | F466-S470 PolarHBondContact O-N 3.43Å; F466-S470 PolarHBondContact O-OG 3.11Å; Y468-S470 VanDerWaalsContact C-N 3.32Å; Y468-S470 PolarHBondContact O-N 2.92Å; S470-S474 VanDerWaalsContact O-CB 3.32Å; S470-S474 WeakPolarHBondContact O-CB 3.37Å; S470-S474 PolarHBondContact O-N 3Å |
| 471 | M | 79.6 | Confident | 79.7 | Confident | 2 Ų | 2 | 62.8 Ų | 62.8 | 1% | 0.01 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -62.7 | -46.2 | 175.6 | -174.9 | -167.5 | -58.1 | 0 | 0 | 111.7 | K379 I383 S467 Y468 S474 V475 | K379-M471 HydrophobicContact CB-CE 3.7Å; I383-M471 HydrophobicContact CB-CG 4.22Å; I383-M471 HydrophobicContact CD1-CE 4.13Å; I383-M471 HydrophobicContact CD1-CG 3.8Å; I383-M471 HydrophobicContact CD1-SD 3.54Å; I383-M471 VanDerWaalsContact CD1-SD 3.54Å; I383-M471 HydrophobicContact CG2-CG 3.89Å; S467-M471 VanDerWaalsContact O-CB 3.25Å; S467-M471 WeakPolarHBondContact O-CB 3.33Å; S467-M471 PolarHBondContact O-N 3.32Å; Y468-M471 HydrophobicContact CD1-CE 3.72Å; Y468-M471 HydrophobicContact CD1-SD 3.75Å; Y468-M471 HydrophobicContact CE1-CE 3.49Å; Y468-M471 VanDerWaalsContact CE1-CE 3.49Å; Y468-M471 HydrophobicContact CE1-SD 3.7Å; Y468-M471 PolarHBondContact O-N 3.43Å; M471-S474 PolarHBondContact O-N 3.32Å; M471-V475 WeakPolarHBondContact O-CG2 3.49Å; M471-V475 PolarHBondContact O-N 2.9Å |
| 472 | F | 78.1 | Confident | 78.4 | Confident | 112 Ų | 112 | 62.5 Ų | 62.5 | 49% | 0.491 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -65.3 | -43.7 | 178.3 | -175.4 | -93.9 | 0 | 0 | 0 | 111.5 | Y468 G469 S474 V475 H476 | Y468-F472 WeakPolarHBondContact O-CB 3.3Å; Y468-F472 PolarHBondContact O-N 3.41Å; G469-F472 PolarHBondContact O-N 2.92Å; F472-S474 PolarHBondContact O-N 3.43Å; F472-V475 PolarHBondContact O-N 2.91Å; F472-H476 WeakPolarHBondContact O-CB 3.17Å; F472-H476 PolarHBondContact O-N 3.42Å |
| 473 | Y | 81.6 | Confident | 76.8 | Confident | 158 Ų | 158 | 64.1 Ų | 64.1 | 62% | 0.62 | 35% | 0.353 | S | S | * | . | H | α-helix | trans | -58.5 | -47.1 | 174.7 | -179.8 | -97.3 | 0 | 0 | 0 | 112 | G469 H476 Q477 | G469-Y473 WeakPolarHBondContact O-CB 3.48Å; G469-Y473 PolarHBondContact O-N 3.32Å; Y473-H476 PolarHBondContact O-N 2.87Å; Y473-Q477 WeakPolarHBondContact O-CB 3.48Å; Y473-Q477 PolarHBondContact O-N 2.84Å |
| 474 | S | 78.6 | Confident | 75.2 | Confident | 25 Ų | 25 | 69.7 Ų | 69.7 | 18% | 0.175 | 38% | 0.377 | C | S | . | . | H | α-helix | trans | -61.1 | -46.4 | 177.5 | 176.1 | 0 | 0 | 0 | 0 | 112.2 | S470 M471 F472 H476 Q477 S478 | S470-S474 VanDerWaalsContact O-CB 3.32Å; S470-S474 WeakPolarHBondContact O-CB 3.37Å; S470-S474 PolarHBondContact O-N 3Å; M471-S474 PolarHBondContact O-N 3.32Å; F472-S474 PolarHBondContact O-N 3.43Å; S474-H476 VanDerWaalsContact C-N 3.34Å; S474-H476 PolarHBondContact O-N 2.86Å; S474-Q477 PolarHBondContact O-N 3.3Å; S474-S478 PolarHBondContact O-N 3.14Å; S474-S478 PolarHBondContact O-OG 2.91Å |
| 475 | V | 72.3 | Confident | 73.9 | Confident | 18 Ų | 18 | 74.5 Ų | 74.5 | 11% | 0.109 | 40% | 0.402 | C | S | . | . | H | α-helix | trans | -63.5 | -38.9 | 176.8 | 171.5 | 0 | 0 | 0 | 0 | 111.6 | I383 M471 F472 A479 M493 | I383-V475 HydrophobicContact CG2-CG2 3.81Å; M471-V475 WeakPolarHBondContact O-CG2 3.49Å; M471-V475 PolarHBondContact O-N 2.9Å; F472-V475 PolarHBondContact O-N 2.91Å; V475-A479 WeakPolarHBondContact O-CB 3.31Å; V475-A479 PolarHBondContact O-N 2.83Å; V475-M493 HydrophobicContact CG1-CG 4.09Å |
| 476 | H | 75.8 | Confident | 72.5 | Confident | 93 Ų | 93 | 79.7 Ų | 79.7 | 43% | 0.431 | 41% | 0.414 | S | S | . | . | H | α-helix | trans | -66.4 | -43.7 | 176.5 | -171.2 | -91.9 | 0 | 0 | 0 | 112 | F472 Y473 S474 A479 I480 | F472-H476 WeakPolarHBondContact O-CB 3.17Å; F472-H476 PolarHBondContact O-N 3.42Å; Y473-H476 PolarHBondContact O-N 2.87Å; S474-H476 VanDerWaalsContact C-N 3.34Å; S474-H476 PolarHBondContact O-N 2.86Å; H476-A479 WeakPolarHBondContact O-CB 3.47Å; H476-A479 PolarHBondContact O-N 3.05Å; H476-I480 PolarHBondContact O-N 3.06Å |
| 477 | Q | 78.4 | Confident | 71.2 | Confident | 88 Ų | 88 | 79.7 Ų | 79.7 | 41% | 0.411 | 42% | 0.42 | S | S | . | . | H | α-helix | trans | -60.8 | -48.5 | 175.6 | -171.1 | 66.4 | 10.8 | 0 | 0 | 111.1 | Y473 S474 A479 I480 T481 | Y473-Q477 WeakPolarHBondContact O-CB 3.48Å; Y473-Q477 PolarHBondContact O-N 2.84Å; S474-Q477 PolarHBondContact O-N 3.3Å; Q477-A479 PolarHBondContact O-N 3.31Å; Q477-I480 PolarHBondContact O-N 2.96Å; Q477-I480 VanDerWaalsContact O-N 3.08Å; Q477-T481 PolarHBondContact O-N 2.91Å; Q477-T481 VanDerWaalsContact O-N 3.1Å; Q477-T481 PolarHBondContact O-OG1 2.99Å; Q477-T481 VanDerWaalsContact O-OG1 3.08Å |
| 478 | S | 70.9 | Confident | 70 | Confident | 67 Ų | 67 | 84.4 Ų | 84.4 | 47% | 0.469 | 44% | 0.442 | S | S | . | . | H | α-helix | trans | -62 | -28.5 | 175.9 | -62.4 | 0 | 0 | 0 | 0 | 113.4 | S474 A482 | S474-S478 PolarHBondContact O-N 3.14Å; S474-S478 PolarHBondContact O-OG 2.91Å; S478-A482 WeakPolarHBondContact O-CB 3.14Å; S478-A482 PolarHBondContact O-N 3.16Å |
| 479 | A | 68.3 | Low | 69.1 | Low | 33 Ų | 33 | 84.7 Ų | 84.7 | 27% | 0.273 | 45% | 0.446 | S | S | . | . | H | α-helix | trans | -72.4 | -28.8 | 174.7 | 0 | 0 | 0 | 0 | 0 | 113.4 | V475 H476 Q477 V489 | V475-A479 WeakPolarHBondContact O-CB 3.31Å; V475-A479 PolarHBondContact O-N 2.83Å; H476-A479 WeakPolarHBondContact O-CB 3.47Å; H476-A479 PolarHBondContact O-N 3.05Å; Q477-A479 PolarHBondContact O-N 3.31Å; A479-V489 HydrophobicContact CB-CG1 3.54Å |
| 480 | I | 68.6 | Low | 68.2 | Low | 108 Ų | 108 | 88.3 Ų | 88.3 | 55% | 0.554 | 45% | 0.449 | S | S | * | . | H | α-helix | trans | -78 | -42.7 | 175.7 | -66.9 | 168 | 0 | 0 | 0 | 110.8 | H476 Q477 A482 | H476-I480 PolarHBondContact O-N 3.06Å; Q477-I480 PolarHBondContact O-N 2.96Å; Q477-I480 VanDerWaalsContact O-N 3.08Å; I480-A482 PolarHBondContact O-N 3.04Å |
| 481 | T | 65.6 | Low | 67.3 | Low | 106 Ų | 106 | 92.6 Ų | 92.6 | 65% | 0.65 | 46% | 0.464 | S | S | * | . | H | α-helix | trans | -76.8 | -19.5 | -173.7 | -40.3 | 0 | 0 | 0 | 0 | 114 | Q477 | Q477-T481 PolarHBondContact O-N 2.91Å; Q477-T481 VanDerWaalsContact O-N 3.1Å; Q477-T481 PolarHBondContact O-OG1 2.99Å; Q477-T481 VanDerWaalsContact O-OG1 3.08Å |
| 482 | A | 59.8 | Low | 66.5 | Low | 32 Ų | 32 | 95.7 Ų | 95.7 | 26% | 0.264 | 48% | 0.478 | S | S | . | . | trans | -120.9 | 80.8 | -173.4 | 0 | 0 | 0 | 0 | 0 | 113.3 | S478 I480 E484 | S478-A482 WeakPolarHBondContact O-CB 3.14Å; S478-A482 PolarHBondContact O-N 3.16Å; I480-A482 PolarHBondContact O-N 3.04Å; A482-E484 VanDerWaalsContact C-N 3.28Å; A482-E484 PolarHBondContact O-N 3.14Å | ||
| 483 | T | 56.8 | Low | 65.8 | Low | 133 Ų | 133 | 93.7 Ų | 93.7 | 82% | 0.816 | 47% | 0.471 | S | S | * | . | S | Bend | trans | -63.2 | -28.4 | 176.4 | 37.9 | 0 | 0 | 0 | 0 | 114.1 | ||
| 484 | E | 54.9 | Low | 65.2 | Low | 188 Ų | 188 | 90.3 Ų | 90.3 | 88% | 0.879 | 46% | 0.463 | S | S | * | . | S | Bend | trans | -86.8 | -20.4 | -171.1 | -157.2 | 154.8 | -154.8 | 0 | 0 | 114 | A482 R486 | A482-E484 VanDerWaalsContact C-N 3.28Å; A482-E484 PolarHBondContact O-N 3.14Å; E484-R486 PolarHBondContact O-N 3.02Å |
| 485 | I | 59.3 | Low | 64.5 | Low | 104 Ų | 104 | 92.3 Ų | 92.3 | 53% | 0.533 | 47% | 0.471 | S | S | . | . | trans | -100.2 | 38.1 | -177.2 | -34.2 | -176.3 | 0 | 0 | 0 | 112.5 | N487 Q488 V489 | I485-N487 PolarHBondContact O-N 2.97Å; I485-Q488 HydrophobicContact CG2-CB 3.53Å; I485-Q488 PolarHBondContact O-N 2.87Å; I485-Q488 VanDerWaalsContact O-N 3.12Å; I485-V489 PolarHBondContact O-N 3.09Å; I485-V489 VanDerWaalsContact O-N 3.16Å | ||
| 486 | R | 56.6 | Low | 64.1 | Low | 178 Ų | 178 | 92 Ų | 92 | 67% | 0.672 | 47% | 0.471 | S | S | * | . | H | α-helix | trans | -53.8 | -29.2 | -172.7 | -168.3 | 168.5 | 70.6 | 174.1 | -1.1 | 114.8 | E484 K490 | E484-R486 PolarHBondContact O-N 3.02Å; R486-K490 WeakPolarHBondContact O-CB 3.28Å; R486-K490 VanDerWaalsContact O-CG 3.3Å; R486-K490 WeakPolarHBondContact O-CG 3.29Å; R486-K490 PolarHBondContact O-N 2.99Å |
| 487 | N | 59.6 | Low | 63.7 | Low | 129 Ų | 129 | 93.9 Ų | 93.9 | 69% | 0.69 | 48% | 0.478 | S | S | * | . | H | α-helix | trans | -82.1 | -35.6 | -179.4 | -75.5 | -15.6 | 0 | 0 | 0 | 113.7 | I485 K491 | I485-N487 PolarHBondContact O-N 2.97Å; N487-K491 PolarHBondContact O-N 2.87Å |
| 488 | Q | 60.8 | Low | 63.2 | Low | 101 Ų | 101 | 92.6 Ų | 92.6 | 47% | 0.472 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -71.3 | -45.4 | 175.4 | -167.9 | 70 | 1.1 | 0 | 0 | 109.9 | I485 K490 K491 E492 | I485-Q488 HydrophobicContact CG2-CB 3.53Å; I485-Q488 PolarHBondContact O-N 2.87Å; I485-Q488 VanDerWaalsContact O-N 3.12Å; Q488-K490 VanDerWaalsContact C-N 3.32Å; Q488-K490 PolarHBondContact O-N 3.22Å; Q488-K491 WeakPolarHBondContact O-CA 3.08Å; Q488-K491 WeakPolarHBondContact O-CB 3.29Å; Q488-K491 PolarHBondContact O-N 2.88Å; Q488-E492 PolarHBondContact O-N 2.04Å |
| 489 | V | 61.3 | Low | 63 | Low | 29 Ų | 29 | 90.5 Ų | 90.5 | 18% | 0.176 | 45% | 0.452 | C | S | . | . | H | α-helix | trans | -55.8 | -45.1 | 175.4 | 175 | 0 | 0 | 0 | 0 | 111.2 | A479 I485 K491 E492 M493 | A479-V489 HydrophobicContact CB-CG1 3.54Å; I485-V489 PolarHBondContact O-N 3.09Å; I485-V489 VanDerWaalsContact O-N 3.16Å; V489-K491 VanDerWaalsContact C-N 3.28Å; V489-K491 PolarHBondContact O-N 3.08Å; V489-E492 PolarHBondContact O-N 2.86Å; V489-M493 HydrophobicContact CG1-CG 4.26Å; V489-M493 HydrophobicContact CG1-SD 4.12Å; V489-M493 WeakPolarHBondContact O-CB 3.16Å; V489-M493 VanDerWaalsContact O-CG 3.31Å; V489-M493 WeakPolarHBondContact O-CG 3.33Å; V489-M493 PolarHBondContact O-N 2.86Å |
| 490 | K | 63.3 | Low | 63.1 | Low | 120 Ų | 120 | 94.6 Ų | 94.6 | 52% | 0.522 | 46% | 0.464 | S | S | . | . | H | α-helix | trans | -58.9 | -35.1 | 174 | -83.5 | -179.6 | 177.8 | -175.4 | 0 | 113.5 | R486 Q488 I494 | R486-K490 WeakPolarHBondContact O-CB 3.28Å; R486-K490 VanDerWaalsContact O-CG 3.3Å; R486-K490 WeakPolarHBondContact O-CG 3.29Å; R486-K490 PolarHBondContact O-N 2.99Å; Q488-K490 VanDerWaalsContact C-N 3.32Å; Q488-K490 PolarHBondContact O-N 3.22Å; K490-I494 WeakPolarHBondContact O-CD1 3.21Å; K490-I494 VanDerWaalsContact O-CG1 3.25Å; K490-I494 WeakPolarHBondContact O-CG1 3.27Å; K490-I494 PolarHBondContact O-N 3.07Å |
| 491 | K | 64 | Low | 63.2 | Low | 121 Ų | 121 | 95.2 Ų | 95.2 | 53% | 0.526 | 46% | 0.463 | S | S | . | . | H | α-helix | trans | -71.8 | -44.3 | 179.6 | -163.4 | 177.5 | -179.8 | -177.6 | 0 | 111 | N487 Q488 V489 I494 L495 | N487-K491 PolarHBondContact O-N 2.87Å; Q488-K491 WeakPolarHBondContact O-CA 3.08Å; Q488-K491 WeakPolarHBondContact O-CB 3.29Å; Q488-K491 PolarHBondContact O-N 2.88Å; V489-K491 VanDerWaalsContact C-N 3.28Å; V489-K491 PolarHBondContact O-N 3.08Å; K491-I494 PolarHBondContact O-N 3.12Å; K491-L495 PolarHBondContact O-N 3.44Å |
| 492 | E | 63 | Low | 63.5 | Low | 66 Ų | 66 | 90.5 Ų | 90.5 | 31% | 0.308 | 43% | 0.433 | S | S | . | . | H | α-helix | trans | -67 | -40.1 | 175.6 | -60.5 | -52.3 | 145.6 | 0 | 0 | 112.3 | Q488 V489 I494 L495 A496 | Q488-E492 PolarHBondContact O-N 2.04Å; V489-E492 PolarHBondContact O-N 2.86Å; E492-I494 VanDerWaalsContact C-N 3.31Å; E492-I494 PolarHBondContact O-N 3.2Å; E492-L495 WeakPolarHBondContact O-CB 3.38Å; E492-L495 PolarHBondContact O-N 3.04Å; E492-L495 VanDerWaalsContact O-N 3.15Å; E492-A496 WeakPolarHBondContact O-CB 3.46Å; E492-A496 PolarHBondContact O-N 3.36Å |
| 493 | M | 63.3 | Low | 64 | Low | 70 Ų | 70 | 89.9 Ų | 89.9 | 35% | 0.345 | 43% | 0.426 | S | S | . | . | H | α-helix | trans | -62.3 | -35.2 | 175.2 | -73.3 | -174.2 | 92.4 | 0 | 0 | 113.2 | V475 V489 K497 | V475-M493 HydrophobicContact CG1-CG 4.09Å; V489-M493 HydrophobicContact CG1-CG 4.26Å; V489-M493 HydrophobicContact CG1-SD 4.12Å; V489-M493 WeakPolarHBondContact O-CB 3.16Å; V489-M493 VanDerWaalsContact O-CG 3.31Å; V489-M493 WeakPolarHBondContact O-CG 3.33Å; V489-M493 PolarHBondContact O-N 2.86Å; M493-K497 WeakPolarHBondContact O-CB 3.36Å; M493-K497 WeakPolarHBondContact O-CG 3.16Å; M493-K497 PolarHBondContact O-N 3.12Å |
| 494 | I | 67.2 | Low | 65 | Low | 87 Ų | 87 | 88.3 Ų | 88.3 | 45% | 0.446 | 41% | 0.408 | S | S | . | . | H | α-helix | trans | -69.4 | -36.3 | 175.8 | -71.1 | 168.2 | 0 | 0 | 0 | 110.8 | K490 K491 E492 R498 | K490-I494 WeakPolarHBondContact O-CD1 3.21Å; K490-I494 VanDerWaalsContact O-CG1 3.25Å; K490-I494 WeakPolarHBondContact O-CG1 3.27Å; K490-I494 PolarHBondContact O-N 3.07Å; K491-I494 PolarHBondContact O-N 3.12Å; E492-I494 VanDerWaalsContact C-N 3.31Å; E492-I494 PolarHBondContact O-N 3.2Å; I494-R498 PolarHBondContact O-N 3.39Å |
| 495 | L | 64.8 | Low | 66.2 | Low | 67 Ų | 67 | 80.9 Ų | 80.9 | 35% | 0.351 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -66.2 | -50.4 | 172.8 | -70.9 | 165.6 | 0 | 0 | 0 | 110.9 | K491 E492 K497 R498 F499 | K491-L495 PolarHBondContact O-N 3.44Å; E492-L495 WeakPolarHBondContact O-CB 3.38Å; E492-L495 PolarHBondContact O-N 3.04Å; E492-L495 VanDerWaalsContact O-N 3.15Å; L495-K497 PolarHBondContact O-N 3.3Å; L495-R498 WeakPolarHBondContact O-CB 3.27Å; L495-R498 PolarHBondContact O-N 2.98Å; L495-R498 VanDerWaalsContact O-N 3.08Å; L495-F499 WeakPolarHBondContact O-CD2 2.97Å; L495-F499 PolarHBondContact O-N 2.84Å |
| 496 | A | 62.9 | Low | 67 | Low | 13 Ų | 13 | 76.2 Ų | 76.2 | 11% | 0.107 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -58.1 | -45.6 | 178.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | E492 R498 F499 F500 | E492-A496 WeakPolarHBondContact O-CB 3.46Å; E492-A496 PolarHBondContact O-N 3.36Å; A496-R498 VanDerWaalsContact C-N 3.26Å; A496-R498 PolarHBondContact O-N 2.96Å; A496-F499 PolarHBondContact O-N 2.89Å; A496-F500 PolarHBondContact O-N 3.08Å |
| 497 | K | 67.4 | Low | 68 | Low | 132 Ų | 132 | 68.3 Ų | 68.3 | 57% | 0.574 | 33% | 0.325 | S | S | * | . | H | α-helix | trans | -60.5 | -33.4 | 175.3 | -79.8 | -172 | 174.2 | -171.2 | 0 | 113.2 | M493 L495 F501 | M493-K497 WeakPolarHBondContact O-CB 3.36Å; M493-K497 WeakPolarHBondContact O-CG 3.16Å; M493-K497 PolarHBondContact O-N 3.12Å; L495-K497 PolarHBondContact O-N 3.3Å; K497-F501 VanDerWaalsContact O-CD2 3.25Å; K497-F501 WeakPolarHBondContact O-CD2 3.37Å; K497-F501 PolarHBondContact O-N 2.84Å |
| 498 | R | 68.7 | Low | 69.1 | Low | 61 Ų | 61 | 66.6 Ų | 66.6 | 23% | 0.23 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -73.6 | -39.9 | 178 | -175.1 | 171.7 | 173.1 | -134.3 | -3.5 | 112 | I494 L495 A496 F500 F501 I502 L549 Y550 T553 T554 | I494-R498 PolarHBondContact O-N 3.39Å; L495-R498 WeakPolarHBondContact O-CB 3.27Å; L495-R498 PolarHBondContact O-N 2.98Å; L495-R498 VanDerWaalsContact O-N 3.08Å; A496-R498 VanDerWaalsContact C-N 3.26Å; A496-R498 PolarHBondContact O-N 2.96Å; R498-F500 VanDerWaalsContact C-N 3.34Å; R498-F501 PolarHBondContact O-N 3.09Å; R498-I502 PolarHBondContact O-N 3.39Å; R498-L549 VanDerWaalsContact CZ-O 3.25Å; R498-L549 PolarHBondContact NE-O 2.98Å; R498-L549 VanDerWaalsContact NE-O 3.14Å; R498-L549 PolarHBondContact NH2-O 3.42Å; R498-Y550 PolarHBondContact NH2-O 3.22Å; R498-T553 PolarHBondContact NE-OG1 3.45Å; R498-T553 PolarHBondContact NH2-OG1 2.98Å; R498-T554 VanDerWaalsContact NH2-CG2 3.3Å |
| 499 | F | 67.9 | Low | 70.2 | Confident | 23 Ų | 23 | 62.2 Ų | 62.2 | 10% | 0.101 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -66.5 | -34.5 | 172.6 | -72.6 | -67.2 | 0 | 0 | 0 | 112.7 | Y309 K379 Y468 L495 A496 F501 I502 V503 | Y309-F499 WeakPolarHBondContact OH-CE1 3.41Å; Y309-F499 WeakPolarHBondContact OH-CZ 3.49Å; K379-F499 HydrophobicContact CG-CZ 4.25Å; Y468-F499 HydrophobicContact CD1-CB 4.39Å; Y468-F499 HydrophobicContact CE1-CB 3.5Å; Y468-F499 VanDerWaalsContact CE1-CB 3.5Å; Y468-F499 HydrophobicContact CE1-CG 4.14Å; Y468-F499 WeakPolarHBondContact OH-CD1 3.3Å; L495-F499 WeakPolarHBondContact O-CD2 2.97Å; L495-F499 PolarHBondContact O-N 2.84Å; A496-F499 PolarHBondContact O-N 2.89Å; F499-F501 VanDerWaalsContact C-N 3.35Å; F499-F501 PolarHBondContact O-N 2.81Å; F499-I502 HydrophobicContact CD1-CD1 4.01Å; F499-I502 HydrophobicContact CE1-CD1 4.49Å; F499-I502 WeakPolarHBondContact O-CB 3.38Å; F499-I502 PolarHBondContact O-N 3.16Å; F499-V503 VanDerWaalsContact O-CG2 3.24Å; F499-V503 WeakPolarHBondContact O-CG2 3.49Å; F499-V503 PolarHBondContact O-N 3.04Å |
| 500 | F | 70.1 | Confident | 71.3 | Confident | 119 Ų | 119 | 61.3 Ų | 61.3 | 52% | 0.522 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -56.1 | -46.9 | 171.8 | 174.5 | -93.1 | 0 | 0 | 0 | 112.2 | A496 R498 I502 V503 F504 | A496-F500 PolarHBondContact O-N 3.08Å; R498-F500 VanDerWaalsContact C-N 3.34Å; F500-I502 PolarHBondContact O-N 3.32Å; F500-V503 PolarHBondContact O-N 3.45Å; F500-F504 VanDerWaalsContact O-CB 3.27Å; F500-F504 WeakPolarHBondContact O-CB 3.39Å; F500-F504 PolarHBondContact O-N 3.17Å |
| 501 | F | 70.9 | Confident | 72.4 | Confident | 121 Ų | 121 | 59.6 Ų | 59.6 | 53% | 0.531 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -64.4 | -37.7 | 177.7 | -80.2 | -67.9 | 0 | 0 | 0 | 113.4 | K497 R498 F499 F504 T505 | K497-F501 VanDerWaalsContact O-CD2 3.25Å; K497-F501 WeakPolarHBondContact O-CD2 3.37Å; K497-F501 PolarHBondContact O-N 2.84Å; R498-F501 PolarHBondContact O-N 3.09Å; F499-F501 VanDerWaalsContact C-N 3.35Å; F499-F501 PolarHBondContact O-N 2.81Å; F501-F504 PolarHBondContact O-N 3.35Å; F501-T505 PolarHBondContact O-N 3.25Å; F501-T505 PolarHBondContact O-OG1 2.98Å |
| 502 | I | 71.7 | Confident | 73.6 | Confident | 7 Ų | 7 | 55.6 Ų | 55.6 | 4% | 0.036 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -56.6 | -50.2 | 173.6 | -78 | 158.3 | 0 | 0 | 0 | 111.2 | R498 F499 F500 F504 T505 D506 L549 Y550 | R498-I502 PolarHBondContact O-N 3.39Å; F499-I502 HydrophobicContact CD1-CD1 4.01Å; F499-I502 HydrophobicContact CE1-CD1 4.49Å; F499-I502 WeakPolarHBondContact O-CB 3.38Å; F499-I502 PolarHBondContact O-N 3.16Å; F500-I502 PolarHBondContact O-N 3.32Å; I502-F504 VanDerWaalsContact C-N 3.34Å; I502-T505 PolarHBondContact O-N 3.13Å; I502-T505 PolarHBondContact O-OG1 3.24Å; I502-D506 PolarHBondContact O-N 3.29Å; I502-D506 VanDerWaalsContact O-N 3.09Å; I502-L549 HydrophobicContact CD1-CB 4.36Å; I502-L549 HydrophobicContact CG1-CB 3.7Å; I502-L549 HydrophobicContact CG1-CD1 4.3Å; I502-L549 HydrophobicContact CG1-CD2 4.31Å; I502-L549 HydrophobicContact CG1-CG 4.33Å; I502-Y550 HydrophobicContact CD1-CD1 4.12Å; I502-Y550 HydrophobicContact CD1-CE1 3.87Å; I502-Y550 HydrophobicContact CG2-CE1 4.45Å; I502-Y550 HydrophobicContact CG2-CE2 4.16Å; I502-Y550 VanDerWaalsContact CG2-OH 3.25Å; I502-Y550 WeakPolarHBondContact CG2-OH 3.27Å |
| 503 | V | 69.6 | Low | 74.7 | Confident | 18 Ų | 18 | 52.5 Ų | 52.5 | 11% | 0.109 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -67.2 | -40.1 | -178.4 | 175.9 | 0 | 0 | 0 | 0 | 111 | I464 Y468 F499 F500 D506 A507 | I464-V503 HydrophobicContact CG2-CG1 3.74Å; I464-V503 HydrophobicContact CG2-CG2 4.1Å; Y468-V503 HydrophobicContact CD1-CG2 4.44Å; Y468-V503 HydrophobicContact CD2-CB 4.3Å; Y468-V503 HydrophobicContact CD2-CG1 4.26Å; Y468-V503 HydrophobicContact CD2-CG2 3.18Å; Y468-V503 HydrophobicContact CE1-CG2 4.35Å; Y468-V503 HydrophobicContact CE2-CB 4.4Å; Y468-V503 HydrophobicContact CE2-CG2 2.98Å; Y468-V503 HydrophobicContact CG-CG2 3.89Å; F499-V503 VanDerWaalsContact O-CG2 3.24Å; F499-V503 WeakPolarHBondContact O-CG2 3.49Å; F499-V503 PolarHBondContact O-N 3.04Å; F500-V503 PolarHBondContact O-N 3.45Å; V503-D506 PolarHBondContact O-N 3.05Å; V503-A507 WeakPolarHBondContact O-CB 3.06Å; V503-A507 PolarHBondContact O-N 3.06Å |
| 504 | F | 77.6 | Confident | 75.9 | Confident | 100 Ų | 100 | 50.3 Ų | 50.3 | 44% | 0.439 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -64.4 | -40.8 | 178.3 | -177.2 | -106.3 | 0 | 0 | 0 | 111.7 | F500 F501 I502 L508 | F500-F504 VanDerWaalsContact O-CB 3.27Å; F500-F504 WeakPolarHBondContact O-CB 3.39Å; F500-F504 PolarHBondContact O-N 3.17Å; F501-F504 PolarHBondContact O-N 3.35Å; I502-F504 VanDerWaalsContact C-N 3.34Å; F504-L508 HydrophobicContact CD1-CD1 3.96Å; F504-L508 HydrophobicContact CE1-CD1 3.48Å; F504-L508 VanDerWaalsContact CE1-CD1 3.48Å; F504-L508 HydrophobicContact CE1-CG 4.35Å; F504-L508 HydrophobicContact CE2-CD1 4.34Å; F504-L508 HydrophobicContact CE2-CG 4.43Å; F504-L508 HydrophobicContact CZ-CD1 3.69Å; F504-L508 HydrophobicContact CZ-CD2 4.46Å; F504-L508 HydrophobicContact CZ-CG 4.24Å; F504-L508 VanDerWaalsContact O-CG 3.3Å; F504-L508 WeakPolarHBondContact O-CG 3.31Å; F504-L508 PolarHBondContact O-N 3.04Å; F504-L508 VanDerWaalsContact O-N 3.07Å |
| 505 | T | 80 | Confident | 76.8 | Confident | 32 Ų | 32 | 49.7 Ų | 49.7 | 20% | 0.196 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -66.2 | -41.8 | 174.7 | 45.2 | 0 | 0 | 0 | 0 | 112.5 | F501 I502 L508 C509 L545 L549 | F501-T505 PolarHBondContact O-N 3.25Å; F501-T505 PolarHBondContact O-OG1 2.98Å; I502-T505 PolarHBondContact O-N 3.13Å; I502-T505 PolarHBondContact O-OG1 3.24Å; T505-L508 PolarHBondContact O-N 2.8Å; T505-C509 PolarHBondContact O-N 3.05Å; T505-C509 PolarHBondContact O-SG 3.24Å; T505-L545 HydrophobicContact CG2-CD1 4.41Å; T505-L549 WeakPolarHBondContact OG1-CD1 3.26Å |
| 506 | D | 75.6 | Confident | 77.8 | Confident | 7 Ų | 7 | 47 Ų | 47 | 4% | 0.037 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -64.1 | -46.6 | 175.9 | -177.1 | 65.7 | 0 | 0 | 0 | 111.2 | L372 I502 V503 L508 C509 W510 N542 | L372-D506 WeakPolarHBondContact CD1-OD1 3.48Å; I502-D506 PolarHBondContact O-N 3.29Å; I502-D506 VanDerWaalsContact O-N 3.09Å; V503-D506 PolarHBondContact O-N 3.05Å; D506-L508 VanDerWaalsContact C-N 3.34Å; D506-L508 PolarHBondContact O-N 2.81Å; D506-C509 WeakPolarHBondContact O-CB 3.39Å; D506-C509 PolarHBondContact O-N 3.36Å; D506-W510 VanDerWaalsContact O-CD1 3.23Å; D506-W510 PolarHBondContact O-N 2.96Å; D506-W510 VanDerWaalsContact O-N 3.09Å; D506-W510 PolarHBondContact OD1-NE1 3.07Å; D506-W510 VanDerWaalsContact OD1-NE1 3.16Å; D506-N542 PolarHBondContact OD1-ND2 3.37Å |
| 507 | A | 78.8 | Confident | 78.8 | Confident | 12 Ų | 12 | 46.4 Ų | 46.4 | 10% | 0.099 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -53.6 | -47.1 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.9 | F461 V503 C509 W510 I511 | F461-A507 HydrophobicContact CE2-CB 3.46Å; F461-A507 VanDerWaalsContact CE2-CB 3.46Å; F461-A507 HydrophobicContact CZ-CB 3.81Å; V503-A507 WeakPolarHBondContact O-CB 3.06Å; V503-A507 PolarHBondContact O-N 3.06Å; A507-C509 PolarHBondContact O-N 3.02Å; A507-W510 PolarHBondContact O-N 2.91Å; A507-I511 WeakPolarHBondContact O-CD1 3.21Å; A507-I511 VanDerWaalsContact O-CG1 3.27Å; A507-I511 WeakPolarHBondContact O-CG1 3.11Å; A507-I511 PolarHBondContact O-N 2.98Å |
| 508 | L | 83.4 | Confident | 79.7 | Confident | 92 Ų | 92 | 45.7 Ų | 45.7 | 48% | 0.482 | 22% | 0.223 | S | C | . | . | H | α-helix | trans | -65.2 | -25.2 | 178.8 | -73.2 | 177.5 | 0 | 0 | 0 | 112.9 | F504 T505 D506 P512 | F504-L508 HydrophobicContact CD1-CD1 3.96Å; F504-L508 HydrophobicContact CE1-CD1 3.48Å; F504-L508 VanDerWaalsContact CE1-CD1 3.48Å; F504-L508 HydrophobicContact CE1-CG 4.35Å; F504-L508 HydrophobicContact CE2-CD1 4.34Å; F504-L508 HydrophobicContact CE2-CG 4.43Å; F504-L508 HydrophobicContact CZ-CD1 3.69Å; F504-L508 HydrophobicContact CZ-CD2 4.46Å; F504-L508 HydrophobicContact CZ-CG 4.24Å; F504-L508 VanDerWaalsContact O-CG 3.3Å; F504-L508 WeakPolarHBondContact O-CG 3.31Å; F504-L508 PolarHBondContact O-N 3.04Å; F504-L508 VanDerWaalsContact O-N 3.07Å; T505-L508 PolarHBondContact O-N 2.8Å; D506-L508 VanDerWaalsContact C-N 3.34Å; D506-L508 PolarHBondContact O-N 2.81Å; L508-P512 WeakPolarHBondContact O-CD 3.34Å |
| 509 | C | 83.8 | Confident | 80.5 | Confident | 9 Ų | 9 | 45.7 Ų | 45.7 | 6% | 0.061 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -79.5 | -35 | 175.1 | -59.8 | 0 | 0 | 0 | 0 | 112.1 | T505 D506 A507 I538 I541 N542 | T505-C509 PolarHBondContact O-N 3.05Å; T505-C509 PolarHBondContact O-SG 3.24Å; D506-C509 WeakPolarHBondContact O-CB 3.39Å; D506-C509 PolarHBondContact O-N 3.36Å; A507-C509 PolarHBondContact O-N 3.02Å; C509-I538 HydrophobicContact CB-CG2 4.22Å; C509-I538 WeakPolarHBondContact O-CG2 3.28Å; C509-I541 VanDerWaalsContact SG-CG2 3.56Å; C509-N542 HydrophobicContact CB-CB 4.43Å |
| 510 | W | 84.3 | Confident | 81.1 | Confident | 11 Ų | 11 | 45.3 Ų | 45.3 | 4% | 0.042 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -82.7 | -31.3 | -178.6 | -74.2 | 107.2 | 0 | 0 | 0 | 114.9 | V369 F453 N457 D506 A507 I513 F514 L539 | V369-W510 HydrophobicContact CG2-CH2 3.91Å; V369-W510 HydrophobicContact CG2-CZ2 3.16Å; F453-W510 HydrophobicContact CD1-CZ3 4.4Å; N457-W510 HydrophobicContact CB-CE3 4.26Å; N457-W510 HydrophobicContact CB-CH2 4.48Å; N457-W510 HydrophobicContact CB-CZ3 4.01Å; D506-W510 VanDerWaalsContact O-CD1 3.23Å; D506-W510 PolarHBondContact O-N 2.96Å; D506-W510 VanDerWaalsContact O-N 3.09Å; D506-W510 PolarHBondContact OD1-NE1 3.07Å; D506-W510 VanDerWaalsContact OD1-NE1 3.16Å; A507-W510 PolarHBondContact O-N 2.91Å; W510-I513 HydrophobicContact CD2-CD1 4.22Å; W510-I513 HydrophobicContact CE3-CB 4.21Å; W510-I513 HydrophobicContact CE3-CD1 3.64Å; W510-I513 HydrophobicContact CE3-CG2 4.13Å; W510-I513 HydrophobicContact CH2-CD1 4.38Å; W510-I513 HydrophobicContact CZ3-CD1 3.75Å; W510-I513 HydrophobicContact CZ3-CG2 4.11Å; W510-I513 WeakPolarHBondContact O-CB 3.2Å; W510-I513 PolarHBondContact O-N 2.82Å; W510-I513 VanDerWaalsContact O-N 3.07Å; W510-F514 HydrophobicContact CB-CD2 4.35Å; W510-F514 HydrophobicContact CB-CE2 3.71Å; W510-F514 HydrophobicContact CB-CZ 3.88Å; W510-F514 HydrophobicContact CE3-CE1 4.2Å; W510-F514 HydrophobicContact CE3-CZ 4.31Å; W510-F514 HydrophobicContact CG-CZ 4.42Å; W510-F514 WeakPolarHBondContact O-CD2 3.37Å; W510-F514 WeakPolarHBondContact O-CG 3.32Å; W510-F514 PolarHBondContact O-N 2.83Å; W510-L539 HydrophobicContact CH2-CD1 4.35Å |
| 511 | I | 86.4 | Confident | 81.6 | Confident | 83 Ų | 83 | 43.2 Ų | 43.2 | 43% | 0.426 | 22% | 0.222 | S | C | . | . | H | α-helix | trans | -53.8 | -48.9 | 178.8 | -73.3 | 160.9 | 0 | 0 | 0 | 112.6 | A507 I513 F514 V515 | A507-I511 WeakPolarHBondContact O-CD1 3.21Å; A507-I511 VanDerWaalsContact O-CG1 3.27Å; A507-I511 WeakPolarHBondContact O-CG1 3.11Å; A507-I511 PolarHBondContact O-N 2.98Å; I511-I513 VanDerWaalsContact C-N 3.29Å; I511-I513 PolarHBondContact O-N 3.01Å; I511-F514 PolarHBondContact O-N 3.12Å; I511-V515 HydrophobicContact CG2-CG2 4.39Å; I511-V515 WeakPolarHBondContact O-CG2 3.19Å; I511-V515 PolarHBondContact O-N 2.97Å |
| 512 | P | 87.5 | Confident | 82.2 | Confident | 37 Ų | 37 | 42.3 Ų | 42.3 | 24% | 0.24 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -59.6 | -36.1 | 176.4 | -26.8 | 36.7 | 0 | 0 | 0 | 113.8 | L508 V515 V516 V534 I538 | L508-P512 WeakPolarHBondContact O-CD 3.34Å; P512-V515 PolarHBondContact O-N 2.86Å; P512-V516 WeakPolarHBondContact O-CB 3.26Å; P512-V516 WeakPolarHBondContact O-CG2 3.41Å; P512-V516 PolarHBondContact O-N 3.08Å; P512-V534 HydrophobicContact CB-CG2 4.35Å; P512-I538 HydrophobicContact CB-CD1 4.06Å; P512-I538 HydrophobicContact CG-CD1 4.1Å; P512-I538 HydrophobicContact CG-CG2 4.26Å |
| 513 | I | 86.6 | Confident | 82.5 | Confident | 2 Ų | 2 | 49.4 Ų | 49.4 | 1% | 0.01 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -66.3 | -48 | 178.9 | -64.3 | 166.5 | 0 | 0 | 0 | 110 | L435 F453 W510 I511 V515 V516 K517 V534 L539 | L435-I513 HydrophobicContact CD1-CG2 3.94Å; F453-I513 HydrophobicContact CD1-CG2 4Å; W510-I513 HydrophobicContact CD2-CD1 4.22Å; W510-I513 HydrophobicContact CE3-CB 4.21Å; W510-I513 HydrophobicContact CE3-CD1 3.64Å; W510-I513 HydrophobicContact CE3-CG2 4.13Å; W510-I513 HydrophobicContact CH2-CD1 4.38Å; W510-I513 HydrophobicContact CZ3-CD1 3.75Å; W510-I513 HydrophobicContact CZ3-CG2 4.11Å; W510-I513 WeakPolarHBondContact O-CB 3.2Å; W510-I513 PolarHBondContact O-N 2.82Å; W510-I513 VanDerWaalsContact O-N 3.07Å; I511-I513 VanDerWaalsContact C-N 3.29Å; I511-I513 PolarHBondContact O-N 3.01Å; I513-V515 PolarHBondContact O-N 3.18Å; I513-V516 PolarHBondContact O-N 3.32Å; I513-K517 WeakPolarHBondContact O-CB 3.41Å; I513-K517 PolarHBondContact O-N 3.4Å; I513-V534 HydrophobicContact CD1-CG1 4.43Å; I513-V534 HydrophobicContact CG1-CG1 3.56Å; I513-L539 HydrophobicContact CD1-CD1 3.57Å |
| 514 | F | 87.8 | Confident | 82.9 | Confident | 23 Ų | 23 | 52 Ų | 52 | 10% | 0.101 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -62.1 | -42.1 | 176.5 | -58 | -37.6 | 0 | 0 | 0 | 112 | F453 N457 L458 F461 W510 I511 K517 F518 | F453-F514 WeakPolarHBondContact O-CD1 3.39Å; F453-F514 VanDerWaalsContact O-CE1 3.24Å; F453-F514 WeakPolarHBondContact O-CE1 3.11Å; N457-F514 HydrophobicContact CB-CE1 4.09Å; N457-F514 HydrophobicContact CB-CZ 4.49Å; L458-F514 HydrophobicContact CB-CE1 4.22Å; L458-F514 HydrophobicContact CB-CZ 4.34Å; L458-F514 HydrophobicContact CD1-CD2 4.23Å; L458-F514 HydrophobicContact CD1-CE2 4.04Å; L458-F514 HydrophobicContact CD1-CZ 4.22Å; F461-F514 HydrophobicContact CB-CE2 4.2Å; F461-F514 HydrophobicContact CB-CZ 4.12Å; F461-F514 HydrophobicContact CD1-CE2 4.01Å; F461-F514 HydrophobicContact CG-CE2 4.07Å; F461-F514 HydrophobicContact CG-CZ 4.47Å; W510-F514 HydrophobicContact CB-CD2 4.35Å; W510-F514 HydrophobicContact CB-CE2 3.71Å; W510-F514 HydrophobicContact CB-CZ 3.88Å; W510-F514 HydrophobicContact CE3-CE1 4.2Å; W510-F514 HydrophobicContact CE3-CZ 4.31Å; W510-F514 HydrophobicContact CG-CZ 4.42Å; W510-F514 WeakPolarHBondContact O-CD2 3.37Å; W510-F514 WeakPolarHBondContact O-CG 3.32Å; W510-F514 PolarHBondContact O-N 2.83Å; I511-F514 PolarHBondContact O-N 3.12Å; F514-K517 PolarHBondContact O-N 3.21Å; F514-F518 VanDerWaalsContact O-CB 3.3Å; F514-F518 WeakPolarHBondContact O-CB 3.43Å; F514-F518 PolarHBondContact O-N 2.96Å |
| 515 | V | 87.5 | Confident | 82.6 | Confident | 75 Ų | 75 | 56.3 Ų | 56.3 | 46% | 0.455 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -63.2 | -48.9 | 177.8 | 170.5 | 0 | 0 | 0 | 0 | 111.4 | I511 P512 I513 K517 F518 L519 | I511-V515 HydrophobicContact CG2-CG2 4.39Å; I511-V515 WeakPolarHBondContact O-CG2 3.19Å; I511-V515 PolarHBondContact O-N 2.97Å; P512-V515 PolarHBondContact O-N 2.86Å; I513-V515 PolarHBondContact O-N 3.18Å; V515-K517 VanDerWaalsContact C-N 3.31Å; V515-K517 PolarHBondContact O-N 2.86Å; V515-F518 PolarHBondContact O-N 3.11Å; V515-L519 HydrophobicContact CG1-CD1 3.9Å; V515-L519 HydrophobicContact CG1-CG 4.41Å; V515-L519 WeakPolarHBondContact O-CB 3.33Å; V515-L519 WeakPolarHBondContact O-CG 3.19Å; V515-L519 PolarHBondContact O-N 3.02Å |
| 516 | V | 84.8 | Confident | 82.2 | Confident | 9 Ų | 9 | 55.8 Ų | 55.8 | 6% | 0.055 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -60.3 | -41.6 | 176.8 | 166.6 | 0 | 0 | 0 | 0 | 111.1 | L435 P512 I513 S520 I526 I530 T531 V534 | L435-V516 HydrophobicContact CD2-CG1 4.24Å; L435-V516 HydrophobicContact CG-CG1 4.25Å; P512-V516 WeakPolarHBondContact O-CB 3.26Å; P512-V516 WeakPolarHBondContact O-CG2 3.41Å; P512-V516 PolarHBondContact O-N 3.08Å; I513-V516 PolarHBondContact O-N 3.32Å; V516-S520 WeakPolarHBondContact O-CB 3.31Å; V516-S520 PolarHBondContact O-N 2.92Å; V516-I526 HydrophobicContact CG1-CD1 3.96Å; V516-I526 VanDerWaalsContact O-CD1 3.23Å; V516-I526 WeakPolarHBondContact O-CD1 3.45Å; V516-I530 HydrophobicContact CG2-CG2 4.03Å; V516-T531 HydrophobicContact CG1-CG2 4.22Å; V516-V534 HydrophobicContact CG2-CG2 4.41Å |
| 517 | K | 84.8 | Confident | 82.3 | Confident | 2 Ų | 2 | 59 Ų | 59 | 1% | 0.009 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -69.3 | -37.4 | 179.2 | -163.8 | 67.9 | -174 | 175.8 | 0 | 112.7 | S449 F453 I513 F514 V515 S520 L521 | S449-K517 PolarHBondContact OG-NZ 3.37Å; F453-K517 HydrophobicContact CB-CG 4.37Å; I513-K517 WeakPolarHBondContact O-CB 3.41Å; I513-K517 PolarHBondContact O-N 3.4Å; F514-K517 PolarHBondContact O-N 3.21Å; V515-K517 VanDerWaalsContact C-N 3.31Å; V515-K517 PolarHBondContact O-N 2.86Å; K517-S520 PolarHBondContact O-N 2.95Å; K517-L521 PolarHBondContact O-N 3.12Å |
| 518 | F | 86 | Confident | 81.9 | Confident | 116 Ų | 116 | 59.1 Ų | 59.1 | 51% | 0.509 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -67.5 | -44.5 | 175.5 | -177.2 | -101.2 | 0 | 0 | 0 | 112.2 | F514 V515 S520 L521 L522 | F514-F518 VanDerWaalsContact O-CB 3.3Å; F514-F518 WeakPolarHBondContact O-CB 3.43Å; F514-F518 PolarHBondContact O-N 2.96Å; V515-F518 PolarHBondContact O-N 3.11Å; F518-S520 VanDerWaalsContact C-N 3.28Å; F518-S520 PolarHBondContact O-N 3.35Å; F518-L521 WeakPolarHBondContact O-CB 3.12Å; F518-L521 PolarHBondContact O-N 3.48Å; F518-L521 VanDerWaalsContact O-N 3.1Å; F518-L522 HydrophobicContact CD1-CD1 4.09Å; F518-L522 HydrophobicContact CE1-CD1 3.58Å; F518-L522 HydrophobicContact CE1-CG 4.31Å; F518-L522 HydrophobicContact CZ-CD1 4.12Å; F518-L522 PolarHBondContact O-N 3.11Å |
| 519 | L | 85.3 | Confident | 81.6 | Confident | 62 Ų | 62 | 58.2 Ų | 58.2 | 33% | 0.325 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -61.7 | -36.7 | 174.5 | -70.2 | 173.2 | 0 | 0 | 0 | 112.2 | V515 L521 L522 Q523 V524 I526 | V515-L519 HydrophobicContact CG1-CD1 3.9Å; V515-L519 HydrophobicContact CG1-CG 4.41Å; V515-L519 WeakPolarHBondContact O-CB 3.33Å; V515-L519 WeakPolarHBondContact O-CG 3.19Å; V515-L519 PolarHBondContact O-N 3.02Å; L519-L521 VanDerWaalsContact C-N 3.29Å; L519-L521 PolarHBondContact O-N 3.05Å; L519-L522 PolarHBondContact O-N 2.89Å; L519-L522 VanDerWaalsContact O-N 3.13Å; L519-Q523 PolarHBondContact O-N 3.41Å; L519-V524 HydrophobicContact CD2-CG2 4.46Å; L519-V524 PolarHBondContact O-N 2.92Å; L519-I526 HydrophobicContact CB-CD1 3.84Å; L519-I526 HydrophobicContact CB-CG1 4.39Å |
| 520 | S | 79.9 | Confident | 81.6 | Confident | 15 Ų | 15 | 61.6 Ų | 61.6 | 11% | 0.105 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -64.5 | -30.7 | 174.4 | -179.9 | 0 | 0 | 0 | 0 | 112.8 | V516 K517 F518 Q523 | V516-S520 WeakPolarHBondContact O-CB 3.31Å; V516-S520 PolarHBondContact O-N 2.92Å; K517-S520 PolarHBondContact O-N 2.95Å; F518-S520 VanDerWaalsContact C-N 3.28Å; F518-S520 PolarHBondContact O-N 3.35Å; S520-Q523 PolarHBondContact O-N 3.45Å |
| 521 | L | 81.3 | Confident | 81.4 | Confident | 74 Ų | 74 | 61.5 Ų | 61.5 | 39% | 0.387 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -74.6 | -25 | 172.8 | -72.2 | 172.4 | 0 | 0 | 0 | 113.1 | V450 L454 K517 F518 L519 Q523 | V450-L521 HydrophobicContact CG2-CD1 4.47Å; V450-L521 HydrophobicContact CG2-CD2 3.84Å; V450-L521 HydrophobicContact CG2-CG 4.49Å; L454-L521 HydrophobicContact CD2-CD1 3.86Å; K517-L521 PolarHBondContact O-N 3.12Å; F518-L521 WeakPolarHBondContact O-CB 3.12Å; F518-L521 PolarHBondContact O-N 3.48Å; F518-L521 VanDerWaalsContact O-N 3.1Å; L519-L521 VanDerWaalsContact C-N 3.29Å; L519-L521 PolarHBondContact O-N 3.05Å; L521-Q523 PolarHBondContact O-N 3.08Å |
| 522 | L | 83.9 | Confident | 81.2 | Confident | 102 Ų | 102 | 57.5 Ų | 57.5 | 53% | 0.534 | 31% | 0.307 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -83.8 | 6.8 | 174.8 | -65.2 | 179 | 0 | 0 | 0 | 113.5 | F518 L519 V524 | F518-L522 HydrophobicContact CD1-CD1 4.09Å; F518-L522 HydrophobicContact CE1-CD1 3.58Å; F518-L522 HydrophobicContact CE1-CG 4.31Å; F518-L522 HydrophobicContact CZ-CD1 4.12Å; F518-L522 PolarHBondContact O-N 3.11Å; L519-L522 PolarHBondContact O-N 2.89Å; L519-L522 VanDerWaalsContact O-N 3.13Å; L522-V524 HydrophobicContact CB-CG2 4Å; L522-V524 PolarHBondContact O-N 3.37Å |
| 523 | Q | 76.9 | Confident | 81.2 | Confident | 157 Ų | 157 | 60.2 Ų | 60.2 | 73% | 0.734 | 31% | 0.312 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 54.3 | 32 | -176.4 | -60.1 | -175.6 | -45.3 | 0 | 0 | 113.5 | L519 S520 L521 | L519-Q523 PolarHBondContact O-N 3.41Å; S520-Q523 PolarHBondContact O-N 3.45Å; L521-Q523 PolarHBondContact O-N 3.08Å |
| 524 | V | 79.6 | Confident | 81.3 | Confident | 71 Ų | 71 | 60.3 Ų | 60.3 | 43% | 0.43 | 31% | 0.313 | S | S | . | . | trans | -80.7 | 130.6 | 172.8 | 178.8 | 0 | 0 | 0 | 0 | 108.8 | L519 L522 I526 | L519-V524 HydrophobicContact CD2-CG2 4.46Å; L519-V524 PolarHBondContact O-N 2.92Å; L522-V524 HydrophobicContact CB-CG2 4Å; L522-V524 PolarHBondContact O-N 3.37Å; V524-I526 WeakPolarHBondContact O-CG1 3.39Å; V524-I526 PolarHBondContact O-N 3.33Å; V524-I526 VanDerWaalsContact O-N 3.15Å | ||
| 525 | E | 70.2 | Confident | 81.3 | Confident | 191 Ų | 191 | 59.3 Ų | 59.3 | 89% | 0.893 | 31% | 0.309 | S | S | * | . | trans | -61.7 | 114.8 | 173.9 | -67.2 | -175.1 | 173.1 | 0 | 0 | 110.4 | ||||
| 526 | I | 72.6 | Confident | 81.4 | Confident | 22 Ų | 22 | 55.8 Ų | 55.8 | 11% | 0.113 | 29% | 0.287 | C | S | . | . | trans | -101.5 | 120.2 | 178.4 | -53.4 | -175.1 | 0 | 0 | 0 | 108.9 | V516 L519 V524 G528 I530 T531 | V516-I526 HydrophobicContact CG1-CD1 3.96Å; V516-I526 VanDerWaalsContact O-CD1 3.23Å; V516-I526 WeakPolarHBondContact O-CD1 3.45Å; L519-I526 HydrophobicContact CB-CD1 3.84Å; L519-I526 HydrophobicContact CB-CG1 4.39Å; V524-I526 WeakPolarHBondContact O-CG1 3.39Å; V524-I526 PolarHBondContact O-N 3.33Å; V524-I526 VanDerWaalsContact O-N 3.15Å; I526-G528 PolarHBondContact O-N 3.49Å; I526-I530 HydrophobicContact CG2-CB 4.46Å; I526-T531 HydrophobicContact CG2-CG2 4.2Å | ||
| 527 | P | 76.1 | Confident | 81.5 | Confident | 73 Ų | 73 | 58.3 Ų | 58.3 | 47% | 0.474 | 30% | 0.297 | S | S | . | . | trans | -55.8 | 122.1 | 171.5 | -26 | 33.3 | 0 | 0 | 0 | 111.7 | T529 I530 | P527-T529 PolarHBondContact O-N 2.82Å; P527-I530 HydrophobicContact CB-CD1 4.38Å; P527-I530 HydrophobicContact CG-CD1 4.29Å; P527-I530 WeakPolarHBondContact O-CB 3.4Å; P527-I530 PolarHBondContact O-N 2.99Å | ||
| 528 | G | 70.8 | Confident | 81.7 | Confident | 15 Ų | 15 | 60 Ų | 60 | 16% | 0.155 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -61.5 | -12.9 | 179.7 | 0 | 0 | 0 | 0 | 0 | 114.5 | G264 I526 I530 T531 S532 | G264-G528 CarbonylContact C-O 3.51Å; G264-G528 CarbonylContact O-C 3.58Å; I526-G528 PolarHBondContact O-N 3.49Å; G528-I530 VanDerWaalsContact C-N 3.29Å; G528-I530 PolarHBondContact O-N 3.03Å; G528-T531 WeakPolarHBondContact CA-OG1 3.38Å; G528-T531 PolarHBondContact O-N 3.09Å; G528-T531 PolarHBondContact O-OG1 3.08Å; G528-S532 WeakPolarHBondContact O-CB 3.29Å; G528-S532 PolarHBondContact O-N 3.15Å |
| 529 | T | 78.8 | Confident | 81.8 | Confident | 73 Ų | 73 | 55 Ų | 55 | 45% | 0.448 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -62.6 | -36.6 | 168.1 | 52.2 | 0 | 0 | 0 | 0 | 111.9 | G264 P527 S532 W533 | G264-T529 VanDerWaalsContact O-CA 3.29Å; G264-T529 WeakPolarHBondContact O-CA 3.08Å; G264-T529 PolarHBondContact O-N 3.21Å; P527-T529 PolarHBondContact O-N 2.82Å; T529-S532 WeakPolarHBondContact O-CB 3.38Å; T529-W533 PolarHBondContact O-N 3.34Å; T529-W533 VanDerWaalsContact O-N 3.12Å |
| 530 | I | 83.4 | Confident | 82.1 | Confident | 80 Ų | 80 | 52 Ų | 52 | 41% | 0.41 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -68.6 | -46 | 176.9 | -64.9 | 169.2 | 0 | 0 | 0 | 110 | V516 I526 P527 G528 S532 W533 V534 | V516-I530 HydrophobicContact CG2-CG2 4.03Å; I526-I530 HydrophobicContact CG2-CB 4.46Å; P527-I530 HydrophobicContact CB-CD1 4.38Å; P527-I530 HydrophobicContact CG-CD1 4.29Å; P527-I530 WeakPolarHBondContact O-CB 3.4Å; P527-I530 PolarHBondContact O-N 2.99Å; G528-I530 VanDerWaalsContact C-N 3.29Å; G528-I530 PolarHBondContact O-N 3.03Å; I530-S532 VanDerWaalsContact C-N 3.3Å; I530-S532 PolarHBondContact O-N 3.42Å; I530-W533 PolarHBondContact O-N 2.81Å; I530-V534 HydrophobicContact CG2-CG2 4.5Å; I530-V534 WeakPolarHBondContact O-CG2 3.33Å; I530-V534 PolarHBondContact O-N 3.34Å |
| 531 | T | 79.9 | Confident | 82.5 | Confident | 9 Ų | 9 | 53.6 Ų | 53.6 | 6% | 0.055 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -63.3 | -38.8 | 178.7 | 62.8 | 0 | 0 | 0 | 0 | 111.1 | H436 V516 I526 G528 V534 V535 | H436-T531 HydrophobicContact CB-CG2 3.88Å; V516-T531 HydrophobicContact CG1-CG2 4.22Å; I526-T531 HydrophobicContact CG2-CG2 4.2Å; G528-T531 WeakPolarHBondContact CA-OG1 3.38Å; G528-T531 PolarHBondContact O-N 3.09Å; G528-T531 PolarHBondContact O-OG1 3.08Å; T531-V534 PolarHBondContact O-N 3.44Å; T531-V535 WeakPolarHBondContact O-CG2 3.29Å; T531-V535 PolarHBondContact O-N 3.2Å |
| 532 | S | 82.1 | Confident | 82.7 | Confident | 0 Ų | 0 | 50.7 Ų | 50.7 | 0% | 0 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -55.2 | -51.3 | 170.9 | -169.8 | 0 | 0 | 0 | 0 | 112.5 | Q277 G528 T529 I530 V534 V535 I536 | Q277-S532 PolarHBondContact NE2-OG 2.97Å; Q277-S532 PolarHBondContact OE1-OG 3.46Å; G528-S532 WeakPolarHBondContact O-CB 3.29Å; G528-S532 PolarHBondContact O-N 3.15Å; T529-S532 WeakPolarHBondContact O-CB 3.38Å; I530-S532 VanDerWaalsContact C-N 3.3Å; I530-S532 PolarHBondContact O-N 3.42Å; S532-V534 VanDerWaalsContact C-N 3.34Å; S532-V534 PolarHBondContact O-N 3.36Å; S532-V535 PolarHBondContact O-N 2.84Å; S532-I536 VanDerWaalsContact O-CB 3.3Å; S532-I536 WeakPolarHBondContact O-CB 3.29Å; S532-I536 WeakPolarHBondContact O-CG1 3.3Å; S532-I536 PolarHBondContact O-N 3.08Å |
| 533 | W | 87.5 | Confident | 83.1 | Confident | 93 Ų | 93 | 46.2 Ų | 46.2 | 35% | 0.352 | 24% | 0.238 | S | C | . | . | H | α-helix | trans | -63.7 | -36.6 | 177.6 | -81.2 | 110.7 | 0 | 0 | 0 | 112.9 | I276 F280 T529 I530 F537 I538 | I276-W533 HydrophobicContact CG2-CH2 3.78Å; I276-W533 HydrophobicContact CG2-CZ2 4.4Å; F280-W533 HydrophobicContact CD2-CH2 4.21Å; F280-W533 HydrophobicContact CD2-CZ3 4.03Å; F280-W533 HydrophobicContact CE2-CH2 4.1Å; F280-W533 HydrophobicContact CE2-CZ3 4.07Å; T529-W533 PolarHBondContact O-N 3.34Å; T529-W533 VanDerWaalsContact O-N 3.12Å; I530-W533 PolarHBondContact O-N 2.81Å; W533-F537 HydrophobicContact CE3-CB 3.83Å; W533-F537 HydrophobicContact CE3-CD1 4.48Å; W533-F537 HydrophobicContact CE3-CG 4.18Å; W533-F537 HydrophobicContact CZ3-CB 4.25Å; W533-F537 HydrophobicContact CZ3-CG 4.27Å; W533-F537 WeakPolarHBondContact O-CB 3.37Å; W533-F537 PolarHBondContact O-N 2.84Å; W533-I538 PolarHBondContact O-N 3.24Å; W533-I538 VanDerWaalsContact O-N 3.12Å |
| 534 | V | 88.5 | Confident | 83.7 | Confident | 4 Ų | 4 | 39.3 Ų | 39.3 | 2% | 0.024 | 21% | 0.208 | C | C | . | . | I | π-helix | trans | -62.7 | -50.2 | 175.7 | 174.7 | 0 | 0 | 0 | 0 | 110.9 | L435 P512 I513 V516 I530 T531 S532 I538 L539 | L435-V534 HydrophobicContact CD2-CB 3.85Å; L435-V534 HydrophobicContact CD2-CG1 3.59Å; P512-V534 HydrophobicContact CB-CG2 4.35Å; I513-V534 HydrophobicContact CD1-CG1 4.43Å; I513-V534 HydrophobicContact CG1-CG1 3.56Å; V516-V534 HydrophobicContact CG2-CG2 4.41Å; I530-V534 HydrophobicContact CG2-CG2 4.5Å; I530-V534 WeakPolarHBondContact O-CG2 3.33Å; I530-V534 PolarHBondContact O-N 3.34Å; T531-V534 PolarHBondContact O-N 3.44Å; S532-V534 VanDerWaalsContact C-N 3.34Å; S532-V534 PolarHBondContact O-N 3.36Å; V534-I538 HydrophobicContact CG2-CD1 4.13Å; V534-I538 PolarHBondContact O-N 3.37Å; V534-L539 WeakPolarHBondContact O-CB 3.11Å; V534-L539 PolarHBondContact O-N 3.01Å |
| 535 | V | 87.9 | Confident | 84.1 | Confident | 3 Ų | 3 | 38.5 Ų | 38.5 | 2% | 0.018 | 20% | 0.201 | C | C | . | . | I | π-helix | trans | -71.8 | -43.3 | -176.1 | 176 | 0 | 0 | 0 | 0 | 112.7 | Y326 V431 F433 L435 T531 S532 P540 | Y326-V535 WeakPolarHBondContact OH-CG1 3.36Å; V431-V535 HydrophobicContact CG2-CG1 4.18Å; F433-V535 HydrophobicContact CB-CG1 3.78Å; F433-V535 HydrophobicContact CB-CG2 4.22Å; F433-V535 HydrophobicContact CD1-CG1 4.29Å; F433-V535 HydrophobicContact CD1-CG2 3.59Å; F433-V535 HydrophobicContact CD2-CG1 4.43Å; F433-V535 HydrophobicContact CE1-CG2 4.24Å; F433-V535 HydrophobicContact CG-CG1 3.91Å; F433-V535 HydrophobicContact CG-CG2 4.05Å; L435-V535 HydrophobicContact CB-CG2 4.31Å; L435-V535 HydrophobicContact CD2-CG2 4.03Å; T531-V535 WeakPolarHBondContact O-CG2 3.29Å; T531-V535 PolarHBondContact O-N 3.2Å; S532-V535 PolarHBondContact O-N 2.84Å; V535-P540 WeakPolarHBondContact O-CD 3.46Å; V535-P540 VanDerWaalsContact O-CG 3.32Å; V535-P540 WeakPolarHBondContact O-CG 3.16Å |
| 536 | I | 88.7 | Confident | 84.8 | Confident | 1 Ų | 1 | 29.5 Ų | 29.5 | 1% | 0.005 | 16% | 0.159 | C | C | . | . | I | π-helix | trans | -83.9 | -28.5 | -172.7 | -64.2 | -61.1 | 0 | 0 | 0 | 113 | L272 Q277 V281 L327 I330 V431 S532 | L272-I536 HydrophobicContact CD2-CD1 4.24Å; L272-I536 HydrophobicContact CD2-CG1 4.3Å; Q277-I536 HydrophobicContact CB-CG2 4.44Å; V281-I536 HydrophobicContact CG2-CD1 4.06Å; V281-I536 HydrophobicContact CG2-CG2 3.48Å; V281-I536 VanDerWaalsContact CG2-CG2 3.48Å; L327-I536 HydrophobicContact CD2-CD1 4.26Å; I330-I536 HydrophobicContact CG2-CD1 4.49Å; V431-I536 HydrophobicContact CG1-CD1 4.07Å; S532-I536 VanDerWaalsContact O-CB 3.3Å; S532-I536 WeakPolarHBondContact O-CB 3.29Å; S532-I536 WeakPolarHBondContact O-CG1 3.3Å; S532-I536 PolarHBondContact O-N 3.08Å |
| 537 | F | 87.8 | Confident | 85.4 | Confident | 61 Ų | 61 | 28.7 Ų | 28.7 | 27% | 0.268 | 16% | 0.155 | S | C | . | . | I | π-helix | trans | -121 | -52.4 | -173.3 | -177.9 | -99.5 | 0 | 0 | 0 | 113.7 | F280 W533 P540 I541 | F280-F537 AromaticContact CD1-CD2 3.95Å; F280-F537 HydrophobicContact CD1-CD2 3.95Å; F280-F537 AromaticContact CD1-CE2 3.93Å; F280-F537 HydrophobicContact CD1-CE2 3.93Å; F280-F537 HydrophobicContact CD2-CD2 4.45Å; F280-F537 HydrophobicContact CE1-CD2 4.19Å; F280-F537 AromaticContact CE1-CE2 3.73Å; F280-F537 HydrophobicContact CE1-CE2 3.73Å; F280-F537 HydrophobicContact CG-CD2 4.11Å; F280-F537 HydrophobicContact CG-CE2 4.48Å; F280-F537 HydrophobicContact CZ-CE2 4.12Å; W533-F537 HydrophobicContact CE3-CB 3.83Å; W533-F537 HydrophobicContact CE3-CD1 4.48Å; W533-F537 HydrophobicContact CE3-CG 4.18Å; W533-F537 HydrophobicContact CZ3-CB 4.25Å; W533-F537 HydrophobicContact CZ3-CG 4.27Å; W533-F537 WeakPolarHBondContact O-CB 3.37Å; W533-F537 PolarHBondContact O-N 2.84Å; F537-P540 WeakPolarHBondContact O-CD 3.28Å; F537-I541 HydrophobicContact CE1-CD1 4.2Å; F537-I541 HydrophobicContact CE2-CD1 4.25Å; F537-I541 HydrophobicContact CZ-CD1 3.8Å; F537-I541 WeakPolarHBondContact O-CB 3.47Å; F537-I541 PolarHBondContact O-N 3Å |
| 538 | I | 89.1 | Confident | 85.6 | Confident | 39 Ų | 39 | 28.8 Ų | 28.8 | 20% | 0.2 | 15% | 0.151 | C | C | . | . | I | π-helix | trans | -73 | -46.6 | -171.8 | -57.6 | 179.5 | 0 | 0 | 0 | 111.6 | C509 P512 W533 V534 I541 | C509-I538 HydrophobicContact CB-CG2 4.22Å; C509-I538 WeakPolarHBondContact O-CG2 3.28Å; P512-I538 HydrophobicContact CB-CD1 4.06Å; P512-I538 HydrophobicContact CG-CD1 4.1Å; P512-I538 HydrophobicContact CG-CG2 4.26Å; W533-I538 PolarHBondContact O-N 3.24Å; W533-I538 VanDerWaalsContact O-N 3.12Å; V534-I538 HydrophobicContact CG2-CD1 4.13Å; V534-I538 PolarHBondContact O-N 3.37Å; I538-I541 WeakPolarHBondContact O-CG2 3.27Å |
| 539 | L | 87.7 | Confident | 85.9 | Confident | 9 Ų | 9 | 29.4 Ų | 29.4 | 5% | 0.047 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -60.2 | -46.8 | 179.1 | -172.3 | 78.8 | 0 | 0 | 0 | 112.4 | M323 T365 F433 W510 I513 V534 | M323-L539 HydrophobicContact CE-CD2 3.72Å; M323-L539 HydrophobicContact CE-CG 4.12Å; M323-L539 HydrophobicContact SD-CD2 4.49Å; T365-L539 HydrophobicContact CG2-CD1 3.71Å; T365-L539 HydrophobicContact CG2-CD2 3.78Å; T365-L539 HydrophobicContact CG2-CG 3.89Å; F433-L539 HydrophobicContact CD2-CD2 4.43Å; F433-L539 HydrophobicContact CE1-CD2 4.34Å; F433-L539 HydrophobicContact CE2-CD2 3.66Å; F433-L539 HydrophobicContact CZ-CD2 3.61Å; W510-L539 HydrophobicContact CH2-CD1 4.35Å; I513-L539 HydrophobicContact CD1-CD1 3.57Å; V534-L539 WeakPolarHBondContact O-CB 3.11Å; V534-L539 PolarHBondContact O-N 3.01Å |
| 540 | P | 91.3 | Very high | 85.8 | Confident | 0 Ų | 0 | 26.2 Ų | 26.2 | 0% | 0 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -84.7 | -13.4 | -173.6 | -14.7 | 35.1 | 0 | 0 | 0 | 114.3 | V284 M323 L327 V535 F537 N542 S543 A544 | V284-P540 HydrophobicContact CG1-CB 3.85Å; M323-P540 HydrophobicContact CG-CB 3.71Å; M323-P540 HydrophobicContact CG-CG 4.2Å; M323-P540 HydrophobicContact SD-CB 4.15Å; M323-P540 HydrophobicContact SD-CG 3.95Å; L327-P540 HydrophobicContact CD1-CB 3.63Å; L327-P540 HydrophobicContact CD1-CG 3.85Å; L327-P540 HydrophobicContact CD2-CG 4.19Å; L327-P540 HydrophobicContact CG-CB 4.44Å; L327-P540 HydrophobicContact CG-CG 4.28Å; V535-P540 WeakPolarHBondContact O-CD 3.46Å; V535-P540 VanDerWaalsContact O-CG 3.32Å; V535-P540 WeakPolarHBondContact O-CG 3.16Å; F537-P540 WeakPolarHBondContact O-CD 3.28Å; P540-N542 PolarHBondContact O-N 3.02Å; P540-S543 PolarHBondContact O-N 2.89Å; P540-A544 PolarHBondContact O-N 3.31Å; P540-A544 VanDerWaalsContact O-N 3.14Å |
| 541 | I | 89.3 | Confident | 85.4 | Confident | 49 Ų | 49 | 22.4 Ų | 22.4 | 25% | 0.251 | 11% | 0.11 | S | C | . | . | H | α-helix | trans | -64.4 | -30.3 | 179.3 | -151.7 | 169.6 | 0 | 0 | 0 | 111.8 | C509 F537 I538 A544 L545 | C509-I541 VanDerWaalsContact SG-CG2 3.56Å; F537-I541 HydrophobicContact CE1-CD1 4.2Å; F537-I541 HydrophobicContact CE2-CD1 4.25Å; F537-I541 HydrophobicContact CZ-CD1 3.8Å; F537-I541 WeakPolarHBondContact O-CB 3.47Å; F537-I541 PolarHBondContact O-N 3Å; I538-I541 WeakPolarHBondContact O-CG2 3.27Å; I541-A544 WeakPolarHBondContact O-CB 3.18Å; I541-A544 PolarHBondContact O-N 3.1Å; I541-L545 HydrophobicContact CG1-CD1 4.27Å; I541-L545 HydrophobicContact CG1-CG 4.44Å; I541-L545 WeakPolarHBondContact O-CB 3.42Å; I541-L545 VanDerWaalsContact O-CG 3.25Å; I541-L545 WeakPolarHBondContact O-CG 3.38Å; I541-L545 PolarHBondContact O-N 2.96Å |
| 542 | N | 85.9 | Confident | 85.2 | Confident | 13 Ų | 13 | 24.9 Ų | 24.9 | 7% | 0.07 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -61.2 | -51.8 | 176.4 | -163.9 | 24.3 | 0 | 0 | 0 | 110.6 | D506 C509 P540 A544 L545 N546 | D506-N542 PolarHBondContact OD1-ND2 3.37Å; C509-N542 HydrophobicContact CB-CB 4.43Å; P540-N542 PolarHBondContact O-N 3.02Å; N542-A544 PolarHBondContact O-N 2.92Å; N542-L545 PolarHBondContact O-N 3.19Å; N542-N546 PolarHBondContact O-N 3.32Å |
| 543 | S | 90.7 | Very high | 84.8 | Confident | 7 Ų | 7 | 27.8 Ų | 27.8 | 5% | 0.049 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -60.1 | -29.3 | 174.7 | -59.7 | 0 | 0 | 0 | 0 | 113.7 | N292 D320 P540 P547 | N292-S543 PolarHBondContact ND2-O 3.04Å; D320-S543 WeakPolarHBondContact OD1-CA 3.37Å; D320-S543 VanDerWaalsContact OD1-CB 3.26Å; D320-S543 WeakPolarHBondContact OD1-CB 3.25Å; D320-S543 PolarHBondContact OD1-OG 2.91Å; P540-S543 PolarHBondContact O-N 2.89Å; S543-P547 WeakPolarHBondContact O-CD 3.41Å |
| 544 | A | 90.2 | Very high | 84.1 | Confident | 12 Ų | 12 | 23.5 Ų | 23.5 | 10% | 0.099 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -75.1 | -34.6 | 173.9 | 0 | 0 | 0 | 0 | 0 | 113.1 | V284 V287 T288 P540 I541 N542 | V284-A544 HydrophobicContact CG1-CB 4.49Å; V287-A544 HydrophobicContact CG1-CB 4.07Å; T288-A544 WeakPolarHBondContact OG1-CA 3.47Å; T288-A544 WeakPolarHBondContact OG1-CB 3.36Å; T288-A544 PolarHBondContact OG1-N 3Å; P540-A544 PolarHBondContact O-N 3.31Å; P540-A544 VanDerWaalsContact O-N 3.14Å; I541-A544 WeakPolarHBondContact O-CB 3.18Å; I541-A544 PolarHBondContact O-N 3.1Å; N542-A544 PolarHBondContact O-N 2.92Å |
| 545 | L | 87.6 | Confident | 83.2 | Confident | 54 Ų | 54 | 30.5 Ų | 30.5 | 28% | 0.283 | 15% | 0.151 | S | C | . | . | H | α-helix | trans | -83.7 | -28.2 | -177.9 | -69 | 173 | 0 | 0 | 0 | 113.1 | T505 I541 N542 I548 L549 | T505-L545 HydrophobicContact CG2-CD1 4.41Å; I541-L545 HydrophobicContact CG1-CD1 4.27Å; I541-L545 HydrophobicContact CG1-CG 4.44Å; I541-L545 WeakPolarHBondContact O-CB 3.42Å; I541-L545 VanDerWaalsContact O-CG 3.25Å; I541-L545 WeakPolarHBondContact O-CG 3.38Å; I541-L545 PolarHBondContact O-N 2.96Å; N542-L545 PolarHBondContact O-N 3.19Å; L545-I548 HydrophobicContact CD2-CD1 4.18Å; L545-I548 WeakPolarHBondContact O-CB 3.3Å; L545-I548 PolarHBondContact O-N 3.04Å; L545-L549 HydrophobicContact CB-CD1 3.89Å; L545-L549 HydrophobicContact CB-CG 4.44Å; L545-L549 WeakPolarHBondContact O-CG 3.41Å; L545-L549 PolarHBondContact O-N 2.98Å |
| 546 | N | 84.8 | Confident | 82.2 | Confident | 3 Ų | 3 | 31.9 Ų | 31.9 | 2% | 0.016 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -48.2 | -47.2 | -179.6 | -81.6 | -20.4 | 0 | 0 | 0 | 114.1 | D320 N542 I548 L549 Y550 | D320-N546 WeakPolarHBondContact OD2-CB 3.46Å; D320-N546 PolarHBondContact OD2-ND2 3.07Å; N542-N546 PolarHBondContact O-N 3.32Å; N546-I548 VanDerWaalsContact C-N 3.32Å; N546-I548 PolarHBondContact O-N 3.28Å; N546-L549 PolarHBondContact O-N 3.29Å; N546-Y550 HydrophobicContact CB-CD2 4.22Å; N546-Y550 WeakPolarHBondContact O-CB 2.97Å; N546-Y550 WeakPolarHBondContact O-CD2 3.47Å; N546-Y550 PolarHBondContact O-N 2.89Å |
| 547 | P | 85.5 | Confident | 81.5 | Confident | 5 Ų | 5 | 32.2 Ų | 32.2 | 3% | 0.032 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -53.4 | -42.7 | 173.6 | -31.7 | 37.5 | 0 | 0 | 0 | 115.1 | G291 N292 V295 S543 T551 L552 | G291-P547 VanDerWaalsContact C-CG 3.48Å; N292-P547 WeakPolarHBondContact OD1-CG 3.15Å; V295-P547 HydrophobicContact CG2-CB 3.77Å; V295-P547 HydrophobicContact CG2-CG 4.48Å; S543-P547 WeakPolarHBondContact O-CD 3.41Å; P547-T551 WeakPolarHBondContact O-CB 3.06Å; P547-T551 PolarHBondContact O-N 3.22Å; P547-L552 PolarHBondContact O-N 3.27Å; P547-L552 VanDerWaalsContact O-N 3.12Å |
| 548 | I | 81.1 | Confident | 80.9 | Confident | 74 Ų | 74 | 34.9 Ų | 34.9 | 38% | 0.379 | 17% | 0.173 | S | C | . | . | I | π-helix | trans | -68.8 | -49.3 | -178.8 | -53.4 | 175.1 | 0 | 0 | 0 | 109.6 | L545 N546 L552 T553 | L545-I548 HydrophobicContact CD2-CD1 4.18Å; L545-I548 WeakPolarHBondContact O-CB 3.3Å; L545-I548 PolarHBondContact O-N 3.04Å; N546-I548 VanDerWaalsContact C-N 3.32Å; N546-I548 PolarHBondContact O-N 3.28Å; I548-L552 HydrophobicContact CG1-CD1 4.13Å; I548-T553 HydrophobicContact CG2-CG2 4.24Å; I548-T553 WeakPolarHBondContact O-CB 3.5Å; I548-T553 WeakPolarHBondContact O-CG2 3.44Å; I548-T553 PolarHBondContact O-N 3.43Å; I548-T553 VanDerWaalsContact O-N 3.17Å; I548-T553 PolarHBondContact O-OG1 2.97Å |
| 549 | L | 77.4 | Confident | 80.2 | Confident | 28 Ų | 28 | 37.7 Ų | 37.7 | 15% | 0.147 | 19% | 0.185 | C | C | . | . | I | π-helix | trans | -68.1 | -43.9 | -174.2 | -68 | 169.2 | 0 | 0 | 0 | 112.2 | R498 I502 T505 L545 N546 T553 | R498-L549 VanDerWaalsContact CZ-O 3.25Å; R498-L549 PolarHBondContact NE-O 2.98Å; R498-L549 VanDerWaalsContact NE-O 3.14Å; R498-L549 PolarHBondContact NH2-O 3.42Å; I502-L549 HydrophobicContact CD1-CB 4.36Å; I502-L549 HydrophobicContact CG1-CB 3.7Å; I502-L549 HydrophobicContact CG1-CD1 4.3Å; I502-L549 HydrophobicContact CG1-CD2 4.31Å; I502-L549 HydrophobicContact CG1-CG 4.33Å; T505-L549 WeakPolarHBondContact OG1-CD1 3.26Å; L545-L549 HydrophobicContact CB-CD1 3.89Å; L545-L549 HydrophobicContact CB-CG 4.44Å; L545-L549 WeakPolarHBondContact O-CG 3.41Å; L545-L549 PolarHBondContact O-N 2.98Å; N546-L549 PolarHBondContact O-N 3.29Å; L549-T553 PolarHBondContact O-OG1 3Å |
| 550 | Y | 75.1 | Confident | 79.6 | Confident | 6 Ų | 6 | 40 Ų | 40 | 2% | 0.024 | 20% | 0.196 | C | C | . | . | I | π-helix | trans | -86.6 | -36.4 | -177.3 | -75.1 | -75.4 | 0 | 0 | 0 | 114.5 | I313 L316 L372 R498 I502 N546 T554 | I313-Y550 HydrophobicContact CD1-CD1 3.71Å; I313-Y550 HydrophobicContact CD1-CE1 4.41Å; I313-Y550 HydrophobicContact CD1-CG 4.28Å; I313-Y550 HydrophobicContact CG1-CD1 4.21Å; I313-Y550 HydrophobicContact CG2-CG 4.36Å; L316-Y550 HydrophobicContact CD2-CD2 4.19Å; L316-Y550 HydrophobicContact CD2-CE2 3.79Å; L372-Y550 HydrophobicContact CD2-CE2 4.14Å; L372-Y550 WeakPolarHBondContact CD2-OH 3.46Å; R498-Y550 PolarHBondContact NH2-O 3.22Å; I502-Y550 HydrophobicContact CD1-CD1 4.12Å; I502-Y550 HydrophobicContact CD1-CE1 3.87Å; I502-Y550 HydrophobicContact CG2-CE1 4.45Å; I502-Y550 HydrophobicContact CG2-CE2 4.16Å; I502-Y550 VanDerWaalsContact CG2-OH 3.25Å; I502-Y550 WeakPolarHBondContact CG2-OH 3.27Å; N546-Y550 HydrophobicContact CB-CD2 4.22Å; N546-Y550 WeakPolarHBondContact O-CB 2.97Å; N546-Y550 WeakPolarHBondContact O-CD2 3.47Å; N546-Y550 PolarHBondContact O-N 2.89Å; Y550-T554 VanDerWaalsContact O-CG2 3.27Å; Y550-T554 WeakPolarHBondContact O-CG2 3.34Å |
| 551 | T | 76.4 | Confident | 78.9 | Confident | 0 Ų | 0 | 43.7 Ų | 43.7 | 0% | 0 | 22% | 0.215 | C | C | . | . | I | π-helix | trans | -115.9 | -57.2 | -169.2 | -53.8 | 0 | 0 | 0 | 0 | 113.7 | V295 R299 P547 T553 T554 F557 | V295-T551 HydrophobicContact CG1-CG2 4.35Å; V295-T551 VanDerWaalsContact CG1-OG1 3.24Å; V295-T551 WeakPolarHBondContact CG1-OG1 3.35Å; V295-T551 HydrophobicContact CG2-CG2 4.08Å; R299-T551 PolarHBondContact NH1-OG1 3.34Å; P547-T551 WeakPolarHBondContact O-CB 3.06Å; P547-T551 PolarHBondContact O-N 3.22Å; T551-T553 VanDerWaalsContact C-N 3.26Å; T551-T553 PolarHBondContact O-N 3.41Å; T551-T554 WeakPolarHBondContact O-CB 3.27Å; T551-T554 VanDerWaalsContact O-CG2 3.28Å; T551-T554 WeakPolarHBondContact O-CG2 3.5Å; T551-T554 PolarHBondContact O-N 3.44Å; T551-T554 PolarHBondContact O-OG1 2.9Å; T551-F557 HydrophobicContact CG2-CD2 4.41Å |
| 552 | L | 75 | Confident | 78.4 | Confident | 61 Ų | 61 | 48.1 Ų | 48.1 | 32% | 0.319 | 24% | 0.235 | S | C | . | . | I | π-helix | trans | -65.3 | -28.9 | -170.3 | -55.1 | -178.4 | 0 | 0 | 0 | 113.4 | F294 P547 I548 T554 F557 | F294-L552 HydrophobicContact CD1-CD2 4.16Å; F294-L552 HydrophobicContact CE1-CD2 3.6Å; P547-L552 PolarHBondContact O-N 3.27Å; P547-L552 VanDerWaalsContact O-N 3.12Å; I548-L552 HydrophobicContact CG1-CD1 4.13Å; L552-T554 VanDerWaalsContact C-N 3.34Å; L552-F557 HydrophobicContact CB-CE1 4.18Å; L552-F557 HydrophobicContact CD2-CD1 4.34Å; L552-F557 HydrophobicContact CD2-CE1 3.45Å; L552-F557 VanDerWaalsContact CD2-CE1 3.45Å; L552-F557 HydrophobicContact CD2-CE2 4.21Å; L552-F557 HydrophobicContact CD2-CZ 3.37Å; L552-F557 HydrophobicContact CG-CE1 4.42Å; L552-F557 WeakPolarHBondContact O-CD1 3.37Å |
| 553 | T | 74.3 | Confident | 77.8 | Confident | 61 Ų | 61 | 55.4 Ų | 55.4 | 37% | 0.374 | 26% | 0.261 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -82.8 | -3.3 | 177.8 | 48.6 | 0 | 0 | 0 | 0 | 114.3 | R498 I548 L549 T551 | R498-T553 PolarHBondContact NE-OG1 3.45Å; R498-T553 PolarHBondContact NH2-OG1 2.98Å; I548-T553 HydrophobicContact CG2-CG2 4.24Å; I548-T553 WeakPolarHBondContact O-CB 3.5Å; I548-T553 WeakPolarHBondContact O-CG2 3.44Å; I548-T553 PolarHBondContact O-N 3.43Å; I548-T553 VanDerWaalsContact O-N 3.17Å; I548-T553 PolarHBondContact O-OG1 2.97Å; L549-T553 PolarHBondContact O-OG1 3Å; T551-T553 VanDerWaalsContact C-N 3.26Å; T551-T553 PolarHBondContact O-N 3.41Å |
| 554 | T | 72.1 | Confident | 77.2 | Confident | 3 Ų | 3 | 62.3 Ų | 62.3 | 2% | 0.018 | 29% | 0.29 | C | S | . | . | trans | -68.8 | 146.5 | 177.9 | 67.6 | 0 | 0 | 0 | 0 | 112.3 | R498 Y550 T551 L552 F557 K558 | R498-T554 VanDerWaalsContact NH2-CG2 3.3Å; Y550-T554 VanDerWaalsContact O-CG2 3.27Å; Y550-T554 WeakPolarHBondContact O-CG2 3.34Å; T551-T554 WeakPolarHBondContact O-CB 3.27Å; T551-T554 VanDerWaalsContact O-CG2 3.28Å; T551-T554 WeakPolarHBondContact O-CG2 3.5Å; T551-T554 PolarHBondContact O-N 3.44Å; T551-T554 PolarHBondContact O-OG1 2.9Å; L552-T554 VanDerWaalsContact C-N 3.34Å; T554-F557 WeakPolarHBondContact OG1-CB 3.29Å; T554-F557 PolarHBondContact OG1-N 3.23Å; T554-K558 WeakPolarHBondContact O-CG 3.44Å; T554-K558 PolarHBondContact O-N 2.89Å | ||
| 555 | R | 69.2 | Low | 76.6 | Confident | 152 Ų | 152 | 69 Ų | 69 | 57% | 0.574 | 31% | 0.314 | S | S | * | . | H | α-helix | trans | -60.5 | -50.8 | 169 | -69.3 | -174.1 | -178.8 | -174.5 | 0 | 113.5 | F557 K558 E559 | R555-F557 VanDerWaalsContact C-N 3.27Å; R555-F557 PolarHBondContact O-N 3.1Å; R555-K558 WeakPolarHBondContact O-CB 3.5Å; R555-K558 PolarHBondContact O-N 3.12Å; R555-E559 PolarHBondContact O-N 3.2Å |
| 556 | P | 68 | Low | 76.1 | Confident | 31 Ų | 31 | 73.3 Ų | 73.3 | 20% | 0.201 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -59.4 | -33.3 | 179.8 | 21 | -34.9 | 0 | 0 | 0 | 113.8 | I302 S304 E305 E559 M560 | I302-P556 HydrophobicContact CG2-CB 4Å; I302-P556 HydrophobicContact CG2-CG 4.49Å; S304-P556 VanDerWaalsContact OG-CB 3.28Å; S304-P556 WeakPolarHBondContact OG-CB 3.41Å; E305-P556 HydrophobicContact CG-CG 4.44Å; P556-E559 PolarHBondContact O-N 3.27Å; P556-M560 WeakPolarHBondContact O-CB 3.14Å; P556-M560 PolarHBondContact O-N 2.62Å |
| 557 | F | 73.3 | Confident | 75.7 | Confident | 9 Ų | 9 | 77.7 Ų | 77.7 | 4% | 0.039 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -67.3 | -43 | 172.7 | -179.2 | -101.9 | 0 | 0 | 0 | 112.5 | F294 I302 T551 L552 T554 R555 E559 M560 I561 | F294-F557 AromaticContact CE1-CE2 3.82Å; F294-F557 HydrophobicContact CE1-CE2 3.82Å; F294-F557 AromaticContact CE1-CZ 3.71Å; F294-F557 HydrophobicContact CE1-CZ 3.71Å; F294-F557 AromaticContact CZ-CE2 3.9Å; F294-F557 HydrophobicContact CZ-CE2 3.9Å; F294-F557 AromaticContact CZ-CZ 3.77Å; F294-F557 HydrophobicContact CZ-CZ 3.77Å; I302-F557 HydrophobicContact CD1-CB 4.45Å; I302-F557 HydrophobicContact CD1-CD2 4.24Å; T551-F557 HydrophobicContact CG2-CD2 4.41Å; L552-F557 HydrophobicContact CB-CE1 4.18Å; L552-F557 HydrophobicContact CD2-CD1 4.34Å; L552-F557 HydrophobicContact CD2-CE1 3.45Å; L552-F557 VanDerWaalsContact CD2-CE1 3.45Å; L552-F557 HydrophobicContact CD2-CE2 4.21Å; L552-F557 HydrophobicContact CD2-CZ 3.37Å; L552-F557 HydrophobicContact CG-CE1 4.42Å; L552-F557 WeakPolarHBondContact O-CD1 3.37Å; T554-F557 WeakPolarHBondContact OG1-CB 3.29Å; T554-F557 PolarHBondContact OG1-N 3.23Å; R555-F557 VanDerWaalsContact C-N 3.27Å; R555-F557 PolarHBondContact O-N 3.1Å; F557-E559 VanDerWaalsContact C-N 3.33Å; F557-E559 PolarHBondContact O-N 2.73Å; F557-M560 HydrophobicContact CD2-CE 3.75Å; F557-M560 HydrophobicContact CE2-CE 3.87Å; F557-M560 WeakPolarHBondContact O-CB 3.38Å; F557-M560 PolarHBondContact O-N 3.4Å; F557-I561 HydrophobicContact CD1-CD1 3.93Å; F557-I561 HydrophobicContact CE1-CD1 3.27Å; F557-I561 HydrophobicContact CE1-CG1 4.18Å; F557-I561 HydrophobicContact CE2-CD1 4.36Å; F557-I561 HydrophobicContact CZ-CD1 3.53Å; F557-I561 HydrophobicContact CZ-CG1 4.21Å; F557-I561 PolarHBondContact O-N 3.02Å |
| 558 | K | 75.4 | Confident | 75.3 | Confident | 116 Ų | 116 | 83.9 Ų | 83.9 | 50% | 0.504 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -60.3 | -42.7 | 174.1 | -70.9 | 179.9 | 178 | -171.9 | 0 | 111.7 | T554 R555 I561 H562 | T554-K558 WeakPolarHBondContact O-CG 3.44Å; T554-K558 PolarHBondContact O-N 2.89Å; R555-K558 WeakPolarHBondContact O-CB 3.5Å; R555-K558 PolarHBondContact O-N 3.12Å; K558-I561 PolarHBondContact O-N 3.45Å; K558-H562 PolarHBondContact O-CD2 3.34Å; K558-H562 VanDerWaalsContact O-CD2 3.23Å; K558-H562 PolarHBondContact O-N 2.89Å |
| 559 | E | 74.8 | Confident | 75 | Confident | 99 Ų | 99 | 88.7 Ų | 88.7 | 46% | 0.463 | 39% | 0.387 | S | S | . | . | H | α-helix | trans | -64.4 | -39.8 | 174.9 | -70.6 | 173.1 | -144.6 | 0 | 0 | 112.5 | R555 P556 F557 H562 R563 | R555-E559 PolarHBondContact O-N 3.2Å; P556-E559 PolarHBondContact O-N 3.27Å; F557-E559 VanDerWaalsContact C-N 3.33Å; F557-E559 PolarHBondContact O-N 2.73Å; E559-H562 PolarHBondContact O-N 2.88Å; E559-R563 WeakPolarHBondContact O-CG 3.44Å; E559-R563 PolarHBondContact O-N 2.97Å; E559-R563 IonicContact OE2-NH2 3.55Å |
| 560 | M | 74.4 | Confident | 74.6 | Confident | 57 Ų | 57 | 91.9 Ų | 91.9 | 28% | 0.281 | 40% | 0.402 | S | S | . | . | H | α-helix | trans | -62 | -46.4 | 174.6 | -174.8 | -175.2 | 78.7 | 0 | 0 | 111.5 | M298 I302 P556 F557 R563 F564 | M298-M560 HydrophobicContact SD-CE 4.43Å; I302-M560 HydrophobicContact CG1-SD 4.11Å; P556-M560 WeakPolarHBondContact O-CB 3.14Å; P556-M560 PolarHBondContact O-N 2.62Å; F557-M560 HydrophobicContact CD2-CE 3.75Å; F557-M560 HydrophobicContact CE2-CE 3.87Å; F557-M560 WeakPolarHBondContact O-CB 3.38Å; F557-M560 PolarHBondContact O-N 3.4Å; M560-R563 PolarHBondContact O-N 2.99Å; M560-F564 WeakPolarHBondContact O-CB 3.17Å; M560-F564 PolarHBondContact O-N 2.96Å |
| 561 | I | 77.5 | Confident | 74 | Confident | 77 Ų | 77 | 100.9 Ų | 100.9 | 40% | 0.395 | 44% | 0.435 | S | S | . | . | H | α-helix | trans | -59.1 | -48.1 | 173.8 | -74.6 | -178.2 | 0 | 0 | 0 | 110.4 | F557 K558 R563 F564 W565 | F557-I561 HydrophobicContact CD1-CD1 3.93Å; F557-I561 HydrophobicContact CE1-CD1 3.27Å; F557-I561 HydrophobicContact CE1-CG1 4.18Å; F557-I561 HydrophobicContact CE2-CD1 4.36Å; F557-I561 HydrophobicContact CZ-CD1 3.53Å; F557-I561 HydrophobicContact CZ-CG1 4.21Å; F557-I561 PolarHBondContact O-N 3.02Å; K558-I561 PolarHBondContact O-N 3.45Å; I561-R563 VanDerWaalsContact C-N 3.33Å; I561-R563 PolarHBondContact O-N 3.08Å; I561-F564 PolarHBondContact O-N 3.43Å; I561-W565 WeakPolarHBondContact O-CB 3.42Å; I561-W565 PolarHBondContact O-N 3.02Å |
| 562 | H | 77.1 | Confident | 73.4 | Confident | 142 Ų | 142 | 107.5 Ų | 107.5 | 66% | 0.657 | 46% | 0.464 | S | S | * | . | H | α-helix | trans | -59.1 | -42 | 179.3 | -88.5 | -71.5 | 0 | 0 | 0 | 112.5 | K558 E559 Y566 | K558-H562 PolarHBondContact O-CD2 3.34Å; K558-H562 VanDerWaalsContact O-CD2 3.23Å; K558-H562 PolarHBondContact O-N 2.89Å; E559-H562 PolarHBondContact O-N 2.88Å; H562-Y566 WeakPolarHBondContact O-CB 3.44Å; H562-Y566 PolarHBondContact O-N 3.06Å |
| 563 | R | 74.9 | Confident | 72.4 | Confident | 166 Ų | 166 | 108 Ų | 108 | 63% | 0.626 | 47% | 0.473 | S | S | * | . | H | α-helix | trans | -65.3 | -42.6 | 174.6 | -68.3 | 179.8 | -146.1 | -166.6 | 6.3 | 112.1 | E559 M560 I561 Y566 N567 | E559-R563 WeakPolarHBondContact O-CG 3.44Å; E559-R563 PolarHBondContact O-N 2.97Å; E559-R563 IonicContact OE2-NH2 3.55Å; M560-R563 PolarHBondContact O-N 2.99Å; I561-R563 VanDerWaalsContact C-N 3.33Å; I561-R563 PolarHBondContact O-N 3.08Å; R563-Y566 PolarHBondContact O-N 3.04Å; R563-N567 WeakPolarHBondContact O-CB 3.39Å; R563-N567 PolarHBondContact O-N 3.35Å; R563-N567 PolarHBondContact O-OD1 3.1Å |
| 564 | F | 77.1 | Confident | 71.3 | Confident | 152 Ų | 152 | 112 Ų | 112 | 67% | 0.667 | 49% | 0.489 | S | S | * | . | H | α-helix | trans | -62.8 | -45.6 | 177.4 | -174.4 | -93.4 | 0 | 0 | 0 | 111.6 | M560 I561 N567 Y568 | M560-F564 WeakPolarHBondContact O-CB 3.17Å; M560-F564 PolarHBondContact O-N 2.96Å; I561-F564 PolarHBondContact O-N 3.43Å; F564-N567 PolarHBondContact O-N 3.39Å; F564-Y568 WeakPolarHBondContact O-CB 3.29Å; F564-Y568 PolarHBondContact O-N 3.42Å |
| 565 | W | 78.3 | Confident | 70.3 | Confident | 154 Ų | 154 | 118.8 Ų | 118.8 | 58% | 0.583 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -66.3 | -37.7 | 178 | -133.1 | 85.9 | 0 | 0 | 0 | 112.1 | I561 R569 | I561-W565 WeakPolarHBondContact O-CB 3.42Å; I561-W565 PolarHBondContact O-N 3.02Å; W565-R569 VanDerWaalsContact O-CB 3.25Å; W565-R569 WeakPolarHBondContact O-CB 3.43Å; W565-R569 PolarHBondContact O-N 2.94Å |
| 566 | Y | 76.4 | Confident | 69.4 | Low | 144 Ų | 144 | 116.3 Ų | 116.3 | 57% | 0.565 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -62.1 | -49.7 | 172.8 | -178 | -93.6 | 0 | 0 | 0 | 111.6 | H562 R563 Y568 R569 Q570 | H562-Y566 WeakPolarHBondContact O-CB 3.44Å; H562-Y566 PolarHBondContact O-N 3.06Å; R563-Y566 PolarHBondContact O-N 3.04Å; Y566-Y568 PolarHBondContact O-N 3.42Å; Y566-R569 PolarHBondContact O-N 3.3Å; Y566-Q570 HydrophobicContact CD1-CG 4.45Å; Y566-Q570 VanDerWaalsContact CE1-CD 3.43Å; Y566-Q570 HydrophobicContact CE1-CG 4.01Å; Y566-Q570 PolarHBondContact O-N 3.2Å; Y566-Q570 PolarHBondContact OH-NE2 2.74Å |
| 567 | N | 77.3 | Confident | 68.3 | Low | 95 Ų | 95 | 123 Ų | 123 | 51% | 0.508 | 56% | 0.557 | S | S | . | * | H | α-helix | trans | -63.9 | -39.2 | 178.6 | -69.4 | 0.7 | 0 | 0 | 0 | 112.2 | R563 F564 Q570 R571 | R563-N567 WeakPolarHBondContact O-CB 3.39Å; R563-N567 PolarHBondContact O-N 3.35Å; R563-N567 PolarHBondContact O-OD1 3.1Å; F564-N567 PolarHBondContact O-N 3.39Å; N567-Q570 PolarHBondContact O-N 2.94Å; N567-R571 PolarHBondContact O-N 3.14Å |
| 568 | Y | 77.3 | Confident | 67.1 | Low | 135 Ų | 135 | 126.5 Ų | 126.5 | 53% | 0.529 | 60% | 0.595 | S | S | . | * | H | α-helix | trans | -63.8 | -42.7 | 173.9 | -179.6 | -98.8 | 0 | 0 | 0 | 111.7 | F564 Y566 R571 K572 | F564-Y568 WeakPolarHBondContact O-CB 3.29Å; F564-Y568 PolarHBondContact O-N 3.42Å; Y566-Y568 PolarHBondContact O-N 3.42Å; Y568-R571 PolarHBondContact O-N 3.45Å; Y568-K572 WeakPolarHBondContact O-CB 3.49Å; Y568-K572 PolarHBondContact O-N 3.03Å |
| 569 | R | 74.3 | Confident | 65 | Low | 175 Ų | 175 | 129.9 Ų | 129.9 | 66% | 0.66 | 61% | 0.613 | S | S | * | * | H | α-helix | trans | -68.6 | -34.2 | 177.2 | -162.6 | 173.9 | -171.4 | 172.6 | 1.9 | 112.3 | W565 Y566 S573 | W565-R569 VanDerWaalsContact O-CB 3.25Å; W565-R569 WeakPolarHBondContact O-CB 3.43Å; W565-R569 PolarHBondContact O-N 2.94Å; Y566-R569 PolarHBondContact O-N 3.3Å; R569-S573 WeakPolarHBondContact O-CB 3.3Å; R569-S573 PolarHBondContact O-N 3.31Å |
| 570 | Q | 69 | Low | 63.3 | Low | 95 Ų | 95 | 134.9 Ų | 134.9 | 44% | 0.444 | 63% | 0.633 | S | S | . | * | H | α-helix | trans | -64.6 | -48.1 | 169.9 | -85.2 | -168.3 | -33.1 | 0 | 0 | 111.9 | Y566 N567 K572 S573 M574 | Y566-Q570 HydrophobicContact CD1-CG 4.45Å; Y566-Q570 VanDerWaalsContact CE1-CD 3.43Å; Y566-Q570 HydrophobicContact CE1-CG 4.01Å; Y566-Q570 PolarHBondContact O-N 3.2Å; Y566-Q570 PolarHBondContact OH-NE2 2.74Å; N567-Q570 PolarHBondContact O-N 2.94Å; Q570-K572 VanDerWaalsContact C-N 3.35Å; Q570-K572 PolarHBondContact O-N 3Å; Q570-S573 WeakPolarHBondContact O-CA 3.19Å; Q570-S573 WeakPolarHBondContact O-CB 3.32Å; Q570-S573 PolarHBondContact O-N 3.15Å; Q570-M574 PolarHBondContact O-N 3.3Å |
| 571 | R | 63 | Low | 61.2 | Low | 195 Ų | 195 | 137.9 Ų | 137.9 | 74% | 0.736 | 66% | 0.655 | S | S | * | * | H | α-helix | trans | -55.5 | -48.2 | 174.6 | -87.4 | -176.5 | 168.8 | 173.5 | -3.7 | 112 | N567 Y568 S573 M574 D575 | N567-R571 PolarHBondContact O-N 3.14Å; Y568-R571 PolarHBondContact O-N 3.45Å; R571-S573 PolarHBondContact O-N 3.25Å; R571-M574 PolarHBondContact O-N 2.91Å; R571-M574 VanDerWaalsContact O-N 3.07Å; R571-D575 PolarHBondContact O-N 3.15Å; R571-D575 VanDerWaalsContact O-N 3.08Å |
| 572 | K | 63 | Low | 59 | Low | 138 Ų | 138 | 144.4 Ų | 144.4 | 60% | 0.6 | 68% | 0.676 | S | S | * | * | H | α-helix | trans | -64.7 | -24.3 | 177.1 | -163.2 | 171 | -175.6 | 175.1 | 0 | 113.5 | Y568 Q570 | Y568-K572 WeakPolarHBondContact O-CB 3.49Å; Y568-K572 PolarHBondContact O-N 3.03Å; Q570-K572 VanDerWaalsContact C-N 3.35Å; Q570-K572 PolarHBondContact O-N 3Å |
| 573 | S | 53.1 | Low | 57 | Low | 72 Ų | 72 | 142.2 Ų | 142.2 | 50% | 0.503 | 68% | 0.682 | S | S | . | * | H | α-helix | trans | -78.9 | -31 | 173 | -167.5 | 0 | 0 | 0 | 0 | 112.6 | R569 Q570 R571 S576 | R569-S573 WeakPolarHBondContact O-CB 3.3Å; R569-S573 PolarHBondContact O-N 3.31Å; Q570-S573 WeakPolarHBondContact O-CA 3.19Å; Q570-S573 WeakPolarHBondContact O-CB 3.32Å; Q570-S573 PolarHBondContact O-N 3.15Å; R571-S573 PolarHBondContact O-N 3.25Å; S573-S576 PolarHBondContact O-N 3.17Å |
| 574 | M | 51.3 | Low | 55.2 | Low | 146 Ų | 146 | 139.6 Ų | 139.6 | 72% | 0.719 | 69% | 0.687 | S | S | * | * | H | α-helix | trans | -72.2 | -41.1 | 174.3 | -69.2 | -178.9 | 74 | 0 | 0 | 111.8 | Q570 R571 S576 K577 | Q570-M574 PolarHBondContact O-N 3.3Å; R571-M574 PolarHBondContact O-N 2.91Å; R571-M574 VanDerWaalsContact O-N 3.07Å; M574-S576 PolarHBondContact O-N 2.92Å; M574-K577 PolarHBondContact O-N 3.24Å; M574-K577 VanDerWaalsContact O-N 3.16Å |
| 575 | D | 51.1 | Low | 52.7 | Low | 145 Ų | 145 | 136.3 Ų | 136.3 | 78% | 0.775 | 68% | 0.682 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -61.7 | -23.4 | 172.4 | -79.1 | -31.3 | 0 | 0 | 0 | 113.2 | R571 | R571-D575 PolarHBondContact O-N 3.15Å; R571-D575 VanDerWaalsContact O-N 3.08Å |
| 576 | S | 49.8 | Very low | 50.7 | Low | 100 Ų | 100 | 139.1 Ų | 139.1 | 70% | 0.699 | 70% | 0.699 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80.1 | -20.7 | 178.6 | -169.4 | 0 | 0 | 0 | 0 | 113.5 | S573 M574 | S573-S576 PolarHBondContact O-N 3.17Å; M574-S576 PolarHBondContact O-N 2.92Å |
| 577 | K | 46.1 | Very low | 48.2 | Very low | 172 Ų | 172 | 138 Ų | 138 | 75% | 0.748 | 70% | 0.702 | S | S | * | * | S | Bend | trans | -107.1 | 85.1 | 176.1 | -74.8 | -173 | 174.6 | -173.9 | 0 | 109.2 | M574 Q579 | M574-K577 PolarHBondContact O-N 3.24Å; M574-K577 VanDerWaalsContact O-N 3.16Å; K577-Q579 PolarHBondContact O-N 3.28Å |
| 578 | G | 47.3 | Very low | 46.2 | Very low | 81 Ų | 81 | 145.4 Ų | 145.4 | 84% | 0.835 | 72% | 0.723 | S | S | * | * | trans | -56.3 | 108.1 | -172.1 | 0 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 579 | Q | 32.2 | Very low | 43.7 | Very low | 188 Ų | 188 | 145 Ų | 145 | 88% | 0.879 | 73% | 0.734 | S | S | * | * | trans | -137.6 | 105.3 | 162.2 | -134.3 | 173 | -0.3 | 0 | 0 | 108.6 | K577 | K577-Q579 PolarHBondContact O-N 3.28Š| ||
| 580 | K | 39.5 | Very low | 41.6 | Very low | 203 Ų | 203 | 144.3 Ų | 144.3 | 88% | 0.883 | 74% | 0.738 | S | S | * | * | trans | -82.9 | 124.7 | 174.9 | -71.6 | 178.6 | 176.4 | 178.1 | 0 | 109.5 | ||||
| 581 | T | 30.2 | Very low | 39.4 | Very low | 120 Ų | 120 | 148.8 Ų | 148.8 | 74% | 0.736 | 76% | 0.762 | S | S | * | * | trans | -162.2 | 131.1 | 143.5 | 17.5 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 582 | Y | 30.5 | Very low | 37.7 | Very low | 215 Ų | 215 | 149.7 Ų | 149.7 | 84% | 0.843 | 77% | 0.765 | S | S | * | * | trans | 34.6 | 124.3 | 159 | -56.6 | -73.6 | 0 | 0 | 0 | 121.8 | ||||
| 583 | A | 35.9 | Very low | 36.6 | Very low | 95 Ų | 95 | 148.3 Ų | 148.3 | 79% | 0.785 | 77% | 0.77 | S | S | * | * | trans | -66.9 | 149.9 | 153.6 | 0 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 584 | P | 35.9 | Very low | 35.2 | Very low | 112 Ų | 112 | 153.8 Ų | 153.8 | 73% | 0.727 | 79% | 0.793 | S | S | * | * | -140.2 | 163.6 | 97.6 | 38.4 | -26.9 | 0 | 0 | 0 | 115.7 | |||||
| 585 | S | 25 | Very low | 34 | Very low | 82 Ų | 82 | 153.8 Ų | 153.8 | 57% | 0.573 | 79% | 0.791 | S | S | * | * | trans | 54.8 | 123.1 | 149 | 60.9 | 0 | 0 | 0 | 0 | 121.3 | I587 | S585-I587 PolarHBondContact O-N 3Å; S585-I587 VanDerWaalsContact O-N 3.07Å | ||
| 586 | F | 35.3 | Very low | 32.7 | Very low | 213 Ų | 213 | 156.3 Ų | 156.3 | 93% | 0.934 | 80% | 0.798 | S | S | * | * | trans | -53.4 | 105.1 | 147.1 | -106.2 | -105 | 0 | 0 | 0 | 109.8 | ||||
| 587 | I | 25.3 | Very low | 31.5 | Very low | 121 Ų | 121 | 158.7 Ų | 158.7 | 62% | 0.621 | 80% | 0.8 | S | S | * | * | trans | -134 | 124.9 | 163.3 | -59.6 | 177 | 0 | 0 | 0 | 108.3 | S585 V589 | S585-I587 PolarHBondContact O-N 3Å; S585-I587 VanDerWaalsContact O-N 3.07Å; I587-V589 HydrophobicContact CG2-CG2 3.89Å; I587-V589 PolarHBondContact O-N 2.85Å | ||
| 588 | W | 34.8 | Very low | 31.1 | Very low | 251 Ų | 251 | 156 Ų | 156 | 95% | 0.951 | 80% | 0.8 | S | S | * | * | trans | -68.8 | 115 | 164 | -83.2 | 64.3 | 0 | 0 | 0 | 107.9 | ||||
| 589 | V | 24.5 | Very low | 30.3 | Very low | 125 Ų | 125 | 157.7 Ų | 157.7 | 76% | 0.758 | 80% | 0.796 | S | S | * | * | trans | -113 | 127.7 | 169.5 | -179.3 | 0 | 0 | 0 | 0 | 108.5 | I587 | I587-V589 HydrophobicContact CG2-CG2 3.89Å; I587-V589 PolarHBondContact O-N 2.85Å | ||
| 590 | E | 30.1 | Very low | 29.9 | Very low | 161 Ų | 161 | 157.3 Ų | 157.3 | 75% | 0.752 | 79% | 0.794 | S | S | * | * | trans | -66.1 | 148.7 | 175.9 | -60.9 | 171.5 | 117 | 0 | 0 | 110.9 | ||||
| 591 | M | 23.3 | Very low | 29.2 | Very low | 190 Ų | 190 | 155.6 Ų | 155.6 | 94% | 0.936 | 79% | 0.794 | S | S | * | * | trans | -132.7 | 85.4 | 161.6 | -138.7 | 168.2 | 83.3 | 0 | 0 | 108.5 | ||||
| 592 | W | 26.9 | Very low | 29 | Very low | 214 Ų | 214 | 159 Ų | 159 | 81% | 0.811 | 80% | 0.804 | S | S | * | * | trans | -78.6 | -170.7 | 158.5 | -74.7 | 25.7 | 0 | 0 | 0 | 109.2 | ||||
| 593 | P | 40.6 | Very low | 28.6 | Very low | 108 Ų | 108 | 158.1 Ų | 158.1 | 70% | 0.701 | 81% | 0.805 | S | S | * | * | -108.7 | 170 | -89.1 | 32.8 | -16.7 | 0 | 0 | 0 | 110.9 | |||||
| 594 | L | 24.5 | Very low | 28.6 | Very low | 188 Ų | 188 | 158.8 Ų | 158.8 | 98% | 0.984 | 80% | 0.801 | S | S | * | * | trans | -112.1 | 134.6 | 160.8 | -88.6 | 169.4 | 0 | 0 | 0 | 110.9 | ||||
| 595 | Q | 24.4 | Very low | 28.1 | Very low | 146 Ų | 146 | 159.9 Ų | 159.9 | 68% | 0.682 | 80% | 0.801 | S | S | * | * | trans | -98 | 133.7 | -159.5 | 171.8 | -178.6 | -1.8 | 0 | 0 | 110 | M597 | Q595-M597 HydrophobicContact CG-CG 4.21Š| ||
| 596 | E | 24.8 | Very low | 28.3 | Very low | 198 Ų | 198 | 163 Ų | 163 | 93% | 0.925 | 81% | 0.81 | S | S | * | * | trans | -116.9 | 136.1 | 157.4 | -73.9 | -174.7 | 164.8 | 0 | 0 | 108.1 | ||||
| 597 | M | 23.4 | Very low | 27.8 | Very low | 150 Ų | 150 | 160.5 Ų | 160.5 | 74% | 0.739 | 80% | 0.799 | S | S | * | * | trans | -113.5 | 157.1 | 176.2 | -81.2 | -155.4 | -60.6 | 0 | 0 | 110.3 | Q595 | Q595-M597 HydrophobicContact CG-CG 4.21Š| ||
| 598 | P | 38.5 | Very low | 27.9 | Very low | 116 Ų | 116 | 160.4 Ų | 160.4 | 75% | 0.753 | 80% | 0.804 | S | S | * | * | trans | -88.8 | 179.7 | -155.6 | 37.6 | -38.7 | 0 | 0 | 0 | 113.8 | ||||
| 599 | P | 29.8 | Very low | 27.5 | Very low | 115 Ų | 115 | 157.6 Ų | 157.6 | 75% | 0.747 | 80% | 0.795 | S | S | * | * | -139.5 | 146.7 | 106.3 | 35.7 | -22.6 | 0 | 0 | 0 | 116.9 | |||||
| 600 | E | 24 | Very low | 27.9 | Very low | 180 Ų | 180 | 156.6 Ų | 156.6 | 84% | 0.841 | 79% | 0.791 | S | S | * | * | trans | 56.6 | 105.6 | 139 | -60.2 | -172.3 | 155.6 | 0 | 0 | 123.6 | ||||
| 601 | L | 26.3 | Very low | 27.7 | Very low | 168 Ų | 168 | 155.5 Ų | 155.5 | 88% | 0.88 | 80% | 0.8 | S | S | * | * | 61.1 | 89.5 | 111.8 | -150.5 | 85.9 | 0 | 0 | 0 | 120.6 | |||||
| 602 | M | 24.2 | Very low | 27.9 | Very low | 191 Ų | 191 | 155.1 Ų | 155.1 | 94% | 0.941 | 80% | 0.795 | S | S | * | * | trans | -154.2 | 121.2 | 133 | -120.2 | 176.3 | 176.4 | 0 | 0 | 112.3 | ||||
| 603 | K | 24.1 | Very low | 28.1 | Very low | 197 Ų | 197 | 152.9 Ų | 152.9 | 86% | 0.857 | 80% | 0.796 | S | S | * | * | trans | -88.7 | 165.4 | 154.2 | -82.2 | -178.1 | 176.6 | 180 | 0 | 107.6 | ||||
| 604 | P | 34.5 | Very low | 27.4 | Very low | 108 Ų | 108 | 153.3 Ų | 153.3 | 70% | 0.701 | 80% | 0.801 | S | S | * | * | cis | -122.7 | -164.4 | 14.5 | 41.7 | -22.9 | 0 | 0 | 0 | 111 | ||||
| 605 | D | 25.1 | Very low | 27.7 | Very low | 136 Ų | 136 | 151.7 Ų | 151.7 | 73% | 0.727 | 79% | 0.793 | S | S | * | * | cis | -153.5 | 166.8 | 24.8 | -125.1 | -35.8 | 0 | 0 | 0 | 114.5 | ||||
| 606 | L | 29.7 | Very low | 27.8 | Very low | 148 Ų | 148 | 152.5 Ų | 152.5 | 78% | 0.775 | 80% | 0.801 | S | S | * | * | trans | -90.6 | 115 | -176.9 | -150.8 | 85.6 | 0 | 0 | 0 | 110.9 | ||||
| 607 | F | 25.5 | Very low | 27.9 | Very low | 159 Ų | 159 | 148.3 Ų | 148.3 | 70% | 0.697 | 79% | 0.793 | S | S | * | * | trans | -130.1 | 89 | 167.7 | -90.8 | -68.2 | 0 | 0 | 0 | 113.1 | Y609 | F607-Y609 AromaticContact CD1-CD2 3.8Å; F607-Y609 HydrophobicContact CD1-CD2 3.8Å; F607-Y609 AromaticContact CD1-CE2 3.3Å; F607-Y609 HydrophobicContact CD1-CE2 3.3Å; F607-Y609 HydrophobicContact CE1-CD2 4.45Å; F607-Y609 AromaticContact CE1-CE2 3.51Å; F607-Y609 HydrophobicContact CE1-CE2 3.51Å; F607-Y609 AromaticContact CE1-CZ 3.99Å; F607-Y609 HydrophobicContact CG-CE2 4.38Å | ||
| 608 | T | 27.3 | Very low | 28.2 | Very low | 120 Ų | 120 | 150.4 Ų | 150.4 | 74% | 0.736 | 80% | 0.801 | S | S | * | * | trans | -79.2 | 120.2 | 154.2 | 46.5 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 609 | Y | 26.5 | Very low | 27.6 | Very low | 192 Ų | 192 | 150 Ų | 150 | 75% | 0.753 | 80% | 0.801 | S | S | * | * | trans | -121.9 | 128.9 | 160.6 | -89.1 | -68.3 | 0 | 0 | 0 | 110.4 | F607 | F607-Y609 AromaticContact CD1-CD2 3.8Å; F607-Y609 HydrophobicContact CD1-CD2 3.8Å; F607-Y609 AromaticContact CD1-CE2 3.3Å; F607-Y609 HydrophobicContact CD1-CE2 3.3Å; F607-Y609 HydrophobicContact CE1-CD2 4.45Å; F607-Y609 AromaticContact CE1-CE2 3.51Å; F607-Y609 HydrophobicContact CE1-CE2 3.51Å; F607-Y609 AromaticContact CE1-CZ 3.99Å; F607-Y609 HydrophobicContact CG-CE2 4.38Å | ||
| 610 | P | 32.9 | Very low | 27.5 | Very low | 104 Ų | 104 | 151.7 Ų | 151.7 | 68% | 0.675 | 81% | 0.81 | S | S | * | * | trans | -77.4 | 160.9 | 174.5 | 32.1 | -32.8 | 0 | 0 | 0 | 111.4 | E612 | P610-E612 PolarHBondContact O-N 2.95Å; P610-E612 VanDerWaalsContact O-N 3.1Å | ||
| 611 | C | 25.2 | Very low | 27.8 | Very low | 138 Ų | 138 | 153.7 Ų | 153.7 | 93% | 0.932 | 81% | 0.809 | S | S | * | * | trans | -79.1 | 88.7 | 177.4 | -170.9 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 612 | E | 27.5 | Very low | 28 | Very low | 181 Ų | 181 | 152.5 Ų | 152.5 | 85% | 0.846 | 80% | 0.803 | S | S | * | * | trans | -82 | 149.8 | 171.6 | -91.5 | -171.6 | 163.6 | 0 | 0 | 113.3 | P610 | P610-E612 PolarHBondContact O-N 2.95Å; P610-E612 VanDerWaalsContact O-N 3.1Å | ||
| 613 | M | 31.3 | Very low | 28.4 | Very low | 168 Ų | 168 | 149.9 Ų | 149.9 | 83% | 0.828 | 79% | 0.793 | S | S | * | * | trans | -111.8 | 105.5 | -165.7 | -178.1 | -176.4 | -64.3 | 0 | 0 | 109.6 | L615 | M613-L615 PolarHBondContact O-N 3.35Å; M613-L615 VanDerWaalsContact O-N 3.14Å | ||
| 614 | S | 27 | Very low | 28.6 | Very low | 116 Ų | 116 | 143.8 Ų | 143.8 | 81% | 0.811 | 78% | 0.775 | S | S | * | * | trans | -82 | 92.1 | 179 | 45 | 0 | 0 | 0 | 0 | 112.3 | I616 | S614-I616 PolarHBondContact O-N 3.04Š| ||
| 615 | L | 28.8 | Very low | 28.5 | Very low | 154 Ų | 154 | 149 Ų | 149 | 81% | 0.806 | 78% | 0.782 | S | S | * | * | trans | -68.7 | 119.6 | 159.6 | -82.7 | 153 | 0 | 0 | 0 | 109.4 | M613 S617 | M613-L615 PolarHBondContact O-N 3.35Å; M613-L615 VanDerWaalsContact O-N 3.14Å; L615-S617 PolarHBondContact O-N 3.22Å | ||
| 616 | I | 28.4 | Very low | 29.1 | Very low | 164 Ų | 164 | 151.7 Ų | 151.7 | 84% | 0.841 | 81% | 0.812 | S | S | * | * | trans | -84.7 | 103.5 | 172.3 | -61.5 | 175.1 | 0 | 0 | 0 | 108.5 | S614 | S614-I616 PolarHBondContact O-N 3.04Š| ||
| 617 | S | 26.8 | Very low | 29.1 | Very low | 110 Ų | 110 | 151.9 Ų | 151.9 | 77% | 0.769 | 81% | 0.814 | S | S | * | * | trans | -98.3 | 128.7 | 165.3 | 53.5 | 0 | 0 | 0 | 0 | 110.3 | L615 | L615-S617 PolarHBondContact O-N 3.22Š| ||
| 618 | Q | 28.8 | Very low | 29.3 | Very low | 193 Ų | 193 | 151.5 Ų | 151.5 | 90% | 0.902 | 82% | 0.82 | S | S | * | * | trans | -74 | 131.2 | 176.1 | -64.1 | 170.8 | -32.3 | 0 | 0 | 110.7 | ||||
| 619 | S | 25.2 | Very low | 29.4 | Very low | 108 Ų | 108 | 153.3 Ų | 153.3 | 76% | 0.755 | 82% | 0.824 | S | S | * | * | trans | 177 | 113.5 | 143.3 | 177.5 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 620 | T | 29 | Very low | 29.6 | Very low | 151 Ų | 151 | 151 Ų | 151 | 93% | 0.926 | 83% | 0.829 | S | S | * | * | -164.8 | 162 | 127 | 11.2 | 0 | 0 | 0 | 0 | 110.2 | |||||
| 621 | R | 30.3 | Very low | 29.4 | Very low | 221 Ų | 221 | 153.9 Ų | 153.9 | 83% | 0.834 | 84% | 0.838 | S | S | * | * | trans | -128.9 | 161.6 | -154.1 | -120.6 | -173.9 | -172.1 | -178.4 | 2.7 | 111.1 | ||||
| 622 | L | 30.6 | Very low | 29.7 | Very low | 144 Ų | 144 | 155 Ų | 155 | 75% | 0.754 | 83% | 0.832 | S | S | * | * | trans | 71.8 | 150.9 | 163.7 | -55 | 142.8 | 0 | 0 | 0 | 113.7 | ||||
| 623 | N | 30.8 | Very low | 29.8 | Very low | 136 Ų | 136 | 153.1 Ų | 153.1 | 73% | 0.727 | 83% | 0.831 | S | S | * | * | cis | -161.6 | 171.1 | 3.8 | -120.2 | 6.4 | 0 | 0 | 0 | 108 | ||||
| 624 | S | 28.7 | Very low | 29.7 | Very low | 68 Ų | 68 | 152 Ų | 152 | 48% | 0.476 | 83% | 0.831 | S | S | . | * | cis | -173.9 | 165.8 | -10.7 | 38 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 625 | Y | 33.5 | Very low | 29.9 | Very low | 219 Ų | 219 | 155 Ų | 155 | 86% | 0.859 | 83% | 0.833 | S | S | * | * | trans | 74.3 | 137.6 | 175.7 | -49.9 | -75.8 | 0 | 0 | 0 | 115.4 | ||||
| 626 | S | 38.2 | Very low | 30 | Very low | 192 Ų | 192 | 155.1 Ų | 155.1 | 100% | 1.343 | 84% | 0.835 | S | S | * | * | cis | -135.4 | 0 | 14.6 | -52.8 | 0 | 0 | 0 | 0 | 112.4 |
Retrieved 626 of 626 residues in 573.3 ms
(Link to these results)